smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001209266848 1013139798 /nfs/dbraw/zinc/13/97/98/1013139798.db2.gz DTNBUFHONOVSAF-WDSOQIARSA-N 1 1 316.514 3.694 20 30 DHEDMO C#CCCC[N@H+]1C[C@@H]2CCC[C@H](N(C)Cc3cccs3)[C@H]2C1 ZINC001209266848 1013139804 /nfs/dbraw/zinc/13/98/04/1013139804.db2.gz DTNBUFHONOVSAF-WDSOQIARSA-N 1 1 316.514 3.694 20 30 DHEDMO C#CCCC[N@@H+]1C[C@@H]2CCC[C@H](N(C)Cc3cccs3)[C@H]2C1 ZINC001209266848 1013139810 /nfs/dbraw/zinc/13/98/10/1013139810.db2.gz DTNBUFHONOVSAF-WDSOQIARSA-N 1 1 316.514 3.694 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000187235023 1013142543 /nfs/dbraw/zinc/14/25/43/1013142543.db2.gz UROBZFABCSJJRW-SFHVURJKSA-N 1 1 311.816 3.898 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000187235023 1013142553 /nfs/dbraw/zinc/14/25/53/1013142553.db2.gz UROBZFABCSJJRW-SFHVURJKSA-N 1 1 311.816 3.898 20 30 DHEDMO C=CC[N@H+](CCN1CCc2ccccc21)Cc1ccc(OC)cc1 ZINC001167116847 1013188092 /nfs/dbraw/zinc/18/80/92/1013188092.db2.gz WGYPDIOWQJPUET-UHFFFAOYSA-N 1 1 322.452 3.746 20 30 DHEDMO COc1cc(C[N@@H+](CCCCC#N)C2CC2)ccc1OC(F)F ZINC000078729824 1013203091 /nfs/dbraw/zinc/20/30/91/1013203091.db2.gz VZMZTEVVRZPRDJ-UHFFFAOYSA-N 1 1 324.371 3.955 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000426450051 1013234561 /nfs/dbraw/zinc/23/45/61/1013234561.db2.gz WKAXVYZGTCIHHP-SFHVURJKSA-N 1 1 303.833 3.584 20 30 DHEDMO C=CCCCCCC[N@H+]1CCn2ncc(Br)c2C1 ZINC001209438089 1013279180 /nfs/dbraw/zinc/27/91/80/1013279180.db2.gz FHSVGUUAQYUEPH-UHFFFAOYSA-N 1 1 312.255 3.598 20 30 DHEDMO N#Cc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cs1 ZINC000894408080 1013336036 /nfs/dbraw/zinc/33/60/36/1013336036.db2.gz XKIWXJFAPHZVBU-QRVBRYPASA-N 1 1 324.449 3.624 20 30 DHEDMO Cc1cc(C[N@H+](C)Cc2ccc(Br)o2)ccc1C#N ZINC000362954475 1013361484 /nfs/dbraw/zinc/36/14/84/1013361484.db2.gz LIWBBDOPRRBVDL-UHFFFAOYSA-N 1 1 319.202 3.854 20 30 DHEDMO Cc1cc(C[N@@H+](C)Cc2ccc(Br)o2)ccc1C#N ZINC000362954475 1013361494 /nfs/dbraw/zinc/36/14/94/1013361494.db2.gz LIWBBDOPRRBVDL-UHFFFAOYSA-N 1 1 319.202 3.854 20 30 DHEDMO C#CC[N@H+](C[C@@H](O)CCc1ccccc1)[C@H]1CCc2ccccc21 ZINC001167179043 1013362774 /nfs/dbraw/zinc/36/27/74/1013362774.db2.gz TVFPWYMWSOUNRP-UNMCSNQZSA-N 1 1 319.448 3.603 20 30 DHEDMO C=CCCC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC001168295790 1032072218 /nfs/dbraw/zinc/07/22/18/1032072218.db2.gz RPOHJCSCHKUFBY-YLJYHZDGSA-N 1 1 315.505 3.889 20 30 DHEDMO COc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c(F)c1 ZINC000358598680 1013508953 /nfs/dbraw/zinc/50/89/53/1013508953.db2.gz YZOFEPKWAWRBAF-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO N#CC1(C[NH2+]Cc2c(OC(F)F)ccc3ccccc32)CC1 ZINC000579909816 1013533112 /nfs/dbraw/zinc/53/31/12/1013533112.db2.gz WDUQGQVCFFIZSZ-UHFFFAOYSA-N 1 1 302.324 3.835 20 30 DHEDMO C#Cc1ccc(Nc2ccc(C[NH+]3CCN(CC)CC3)cc2)cc1 ZINC001210114812 1013551730 /nfs/dbraw/zinc/55/17/30/1013551730.db2.gz MVFDHXLZTVMTFR-UHFFFAOYSA-N 1 1 319.452 3.549 20 30 DHEDMO N#Cc1ccc(OCCC[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000729481085 1013615341 /nfs/dbraw/zinc/61/53/41/1013615341.db2.gz DVJNFNJPUKYBIN-GOSISDBHSA-N 1 1 324.399 3.956 20 30 DHEDMO Cc1ccccc1C[N@@H+](CCOc1ccccc1C#N)C1CC1 ZINC000519909946 1013621797 /nfs/dbraw/zinc/62/17/97/1013621797.db2.gz BTTCFYFVDSCKLT-UHFFFAOYSA-N 1 1 306.409 3.910 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccc(Cl)c(C#N)n1 ZINC000067368041 1013782024 /nfs/dbraw/zinc/78/20/24/1013782024.db2.gz APNRQZRRECOHPY-ZDUSSCGKSA-N 1 1 306.841 3.673 20 30 DHEDMO CC[N@H+]1CCC[C@@H](NC(=O)c2coc(C3CCCCC3)n2)C1 ZINC000328702642 1013793588 /nfs/dbraw/zinc/79/35/88/1013793588.db2.gz XILBWJHRWHXLFZ-CQSZACIVSA-N 1 1 305.422 3.511 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000441434365 1013828036 /nfs/dbraw/zinc/82/80/36/1013828036.db2.gz JNNLKJMSEJNXBS-KRWDZBQOSA-N 1 1 302.393 3.621 20 30 DHEDMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)C1 ZINC000330503175 1013822379 /nfs/dbraw/zinc/82/23/79/1013822379.db2.gz DRADUWZYPJAVSO-CQSZACIVSA-N 1 1 320.481 3.550 20 30 DHEDMO CN(C)c1cc[nH+]cc1C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000330821004 1013840051 /nfs/dbraw/zinc/84/00/51/1013840051.db2.gz OQNZMGYFVQGGJT-UHFFFAOYSA-N 1 1 304.419 3.538 20 30 DHEDMO Cc1nc(C)c(NC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)s1 ZINC000331284241 1013867660 /nfs/dbraw/zinc/86/76/60/1013867660.db2.gz KRUDESLZASAXIY-CQSZACIVSA-N 1 1 324.494 3.596 20 30 DHEDMO C=C(C)C(C)(C)c1nc(CCCCn2c[nH+]c(C)c2C)no1 ZINC000656040398 1013946352 /nfs/dbraw/zinc/94/63/52/1013946352.db2.gz IQVSFNKAMJMKAC-UHFFFAOYSA-N 1 1 302.422 3.760 20 30 DHEDMO CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC000931257457 1032082831 /nfs/dbraw/zinc/08/28/31/1032082831.db2.gz RBERFEAZHKYVEO-GOSISDBHSA-N 1 1 309.388 3.860 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000175818491 1014154810 /nfs/dbraw/zinc/15/48/10/1014154810.db2.gz FNVSPGZYWLGFFI-IRXDYDNUSA-N 1 1 312.438 3.708 20 30 DHEDMO C=CCOCC[NH2+][C@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000926113739 1014239717 /nfs/dbraw/zinc/23/97/17/1014239717.db2.gz ABQQUIZDSDCNML-SECBINFHSA-N 1 1 308.731 3.607 20 30 DHEDMO Cc1ccnc([C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)c1 ZINC000580783222 1014347999 /nfs/dbraw/zinc/34/79/99/1014347999.db2.gz PEMCXHTWMSOAQF-QGZVFWFLSA-N 1 1 310.828 3.884 20 30 DHEDMO CCC(C)(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000441636473 1014381247 /nfs/dbraw/zinc/38/12/47/1014381247.db2.gz SMZGOSQZOYPZHZ-QGZVFWFLSA-N 1 1 313.445 3.787 20 30 DHEDMO C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@H]1C(=O)OC(C)(C)C ZINC000520805378 1014593118 /nfs/dbraw/zinc/59/31/18/1014593118.db2.gz ZUSCNCDWUUHOJG-LSDHHAIUSA-N 1 1 308.466 3.616 20 30 DHEDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000933125739 1014668267 /nfs/dbraw/zinc/66/82/67/1014668267.db2.gz IHVFOLJHLJXNSS-CQSZACIVSA-N 1 1 315.417 3.527 20 30 DHEDMO C=CC[C@H](Cc1ccccc1)n1cc(C[NH+]2CCCCC2)nn1 ZINC000656457981 1014668919 /nfs/dbraw/zinc/66/89/19/1014668919.db2.gz VRXIBMDXFWMOSV-LJQANCHMSA-N 1 1 310.445 3.624 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)ccc1C#N ZINC000442801544 1014737922 /nfs/dbraw/zinc/73/79/22/1014737922.db2.gz MXMNMJRCJJZSQP-GOSISDBHSA-N 1 1 306.409 3.631 20 30 DHEDMO COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)ccc1C#N ZINC000442802549 1014739578 /nfs/dbraw/zinc/73/95/78/1014739578.db2.gz QABCLPFMACNQQB-MGPUTAFESA-N 1 1 322.408 3.529 20 30 DHEDMO COc1cc(C[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)ccc1C#N ZINC000442802549 1014739585 /nfs/dbraw/zinc/73/95/85/1014739585.db2.gz QABCLPFMACNQQB-MGPUTAFESA-N 1 1 322.408 3.529 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)ccc1C#N ZINC000442882815 1014759762 /nfs/dbraw/zinc/75/97/62/1014759762.db2.gz FZZFXCMPUQVBIH-KRWDZBQOSA-N 1 1 310.372 3.695 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)ccc1C#N ZINC000442888727 1014762344 /nfs/dbraw/zinc/76/23/44/1014762344.db2.gz HKDRHQJDQDXYHC-IBGZPJMESA-N 1 1 321.424 3.643 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@@](C)(c3ccccc3)C2)ccc1C#N ZINC000442893765 1014765152 /nfs/dbraw/zinc/76/51/52/1014765152.db2.gz XZJWSYWLAVIMLL-HXUWFJFHSA-N 1 1 306.409 3.730 20 30 DHEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000121328170 1014796738 /nfs/dbraw/zinc/79/67/38/1014796738.db2.gz ADBKAEBGJADJKK-OAHLLOKOSA-N 1 1 310.397 3.924 20 30 DHEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000121328170 1014796751 /nfs/dbraw/zinc/79/67/51/1014796751.db2.gz ADBKAEBGJADJKK-OAHLLOKOSA-N 1 1 310.397 3.924 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)cc1F ZINC000581411462 1014797494 /nfs/dbraw/zinc/79/74/94/1014797494.db2.gz OFKVKKBXMXNCBK-KRWDZBQOSA-N 1 1 312.392 3.832 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)cc1F ZINC000581411463 1014798081 /nfs/dbraw/zinc/79/80/81/1014798081.db2.gz OFKVKKBXMXNCBK-QGZVFWFLSA-N 1 1 312.392 3.832 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]CCN1[C@@H](C)CCC[C@@H]1C ZINC000521843784 1014815471 /nfs/dbraw/zinc/81/54/71/1014815471.db2.gz ZSSQRQFAXMUZCF-IRXDYDNUSA-N 1 1 302.462 3.604 20 30 DHEDMO C=CCOc1ccc(CNCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000521817684 1014809592 /nfs/dbraw/zinc/80/95/92/1014809592.db2.gz LKEUJQAUIADFEC-HDICACEKSA-N 1 1 316.489 3.709 20 30 DHEDMO C=CCOc1ccc(CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000521817684 1014809604 /nfs/dbraw/zinc/80/96/04/1014809604.db2.gz LKEUJQAUIADFEC-HDICACEKSA-N 1 1 316.489 3.709 20 30 DHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2OC)C1 ZINC000121091570 1014924086 /nfs/dbraw/zinc/92/40/86/1014924086.db2.gz WUNUCZVMFSQULC-HOTGVXAUSA-N 1 1 304.459 3.673 20 30 DHEDMO C=C(C)C[N@@H+](CC)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443620099 1015035008 /nfs/dbraw/zinc/03/50/08/1015035008.db2.gz IMHYQZBPBIVOFO-CQSZACIVSA-N 1 1 301.352 3.507 20 30 DHEDMO Cc1cc(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C#N)n1 ZINC000308280740 1015052252 /nfs/dbraw/zinc/05/22/52/1015052252.db2.gz SATLSCCMVVIGSX-AEFFLSMTSA-N 1 1 320.440 3.584 20 30 DHEDMO Cc1cc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C#N)n1 ZINC000308280731 1015062313 /nfs/dbraw/zinc/06/23/13/1015062313.db2.gz RYIUOYKICDNWTK-GOSISDBHSA-N 1 1 320.440 3.586 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCc2cccc(F)c2)C2CC2)s1 ZINC000126742173 1015158751 /nfs/dbraw/zinc/15/87/51/1015158751.db2.gz BKKWLUKZYOPCDC-UHFFFAOYSA-N 1 1 300.402 3.966 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000625702654 1015158780 /nfs/dbraw/zinc/15/87/80/1015158780.db2.gz HTOIMWAQVKYOGZ-QGZVFWFLSA-N 1 1 300.446 3.920 20 30 DHEDMO C[N@@H+](CCc1cccc(NCc2ccc(C#N)cc2)c1)C1CC1 ZINC000341294727 1015172711 /nfs/dbraw/zinc/17/27/11/1015172711.db2.gz ICXCRVOVEBSDMA-UHFFFAOYSA-N 1 1 305.425 3.807 20 30 DHEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000665391855 1015172945 /nfs/dbraw/zinc/17/29/45/1015172945.db2.gz LPMDRQBKKMHXRR-MLHJIOFPSA-N 1 1 321.509 3.636 20 30 DHEDMO N#Cc1cccc(OCCC[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000477279200 1015175007 /nfs/dbraw/zinc/17/50/07/1015175007.db2.gz HHRFMKKQGRCXFI-GOSISDBHSA-N 1 1 324.399 3.956 20 30 DHEDMO N#Cc1cccc(OCCC[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000477279202 1015177946 /nfs/dbraw/zinc/17/79/46/1015177946.db2.gz HHRFMKKQGRCXFI-SFHVURJKSA-N 1 1 324.399 3.956 20 30 DHEDMO C=CCCC1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000474211420 1015187216 /nfs/dbraw/zinc/18/72/16/1015187216.db2.gz NTJSESYKXAPAEF-INIZCTEOSA-N 1 1 320.864 3.805 20 30 DHEDMO N#Cc1csc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC000895788370 1015303623 /nfs/dbraw/zinc/30/36/23/1015303623.db2.gz RNICIANGRBEQDI-AAEUAGOBSA-N 1 1 300.349 3.784 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+](C)[C@H](C)C(C)(C)C)c(C#N)c1C ZINC000610542624 1015377751 /nfs/dbraw/zinc/37/77/51/1015377751.db2.gz OAYWFGPQNMIZAX-GFCCVEGCSA-N 1 1 307.463 3.542 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)c1c(F)cccc1F ZINC000051262302 1015394652 /nfs/dbraw/zinc/39/46/52/1015394652.db2.gz GWOWAIZDYMTJJF-OAHLLOKOSA-N 1 1 309.381 3.748 20 30 DHEDMO CCCC[N@H+](C)CC1CCN(Cc2csc(C#N)c2)CC1 ZINC000891611338 1015446026 /nfs/dbraw/zinc/44/60/26/1015446026.db2.gz KZRZSFUEFBLVBJ-UHFFFAOYSA-N 1 1 305.491 3.564 20 30 DHEDMO CCCC[N@@H+](C)CC1CCN(Cc2csc(C#N)c2)CC1 ZINC000891611338 1015446030 /nfs/dbraw/zinc/44/60/30/1015446030.db2.gz KZRZSFUEFBLVBJ-UHFFFAOYSA-N 1 1 305.491 3.564 20 30 DHEDMO Oc1ccccc1/C=N\C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000255376933 1015458546 /nfs/dbraw/zinc/45/85/46/1015458546.db2.gz DYPOYVXIKHHNFU-VUFYJBQKSA-N 1 1 314.454 3.785 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2[nH]c(=O)oc21 ZINC000891624788 1015462521 /nfs/dbraw/zinc/46/25/21/1015462521.db2.gz GMWAPJMXWGTCOX-UHFFFAOYSA-N 1 1 321.380 3.816 20 30 DHEDMO Cc1cc(-n2ccnc2)ccc1C[N@H+](CCC#N)CCC(C)C ZINC000361829938 1032117257 /nfs/dbraw/zinc/11/72/57/1032117257.db2.gz PBALAWLQECJQGZ-UHFFFAOYSA-N 1 1 310.445 3.943 20 30 DHEDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)O[C@H](C#N)C1CCCCC1 ZINC000754879256 1015618525 /nfs/dbraw/zinc/61/85/25/1015618525.db2.gz OXSSCMDFEPAEFJ-MRXNPFEDSA-N 1 1 306.450 3.655 20 30 DHEDMO N#Cc1ccc(Br)cc1C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001141897275 1015621366 /nfs/dbraw/zinc/62/13/66/1015621366.db2.gz LYCGHOLXQMRORB-OCCSQVGLSA-N 1 1 319.246 3.943 20 30 DHEDMO N#Cc1ccc(Br)cc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001141897275 1015621368 /nfs/dbraw/zinc/62/13/68/1015621368.db2.gz LYCGHOLXQMRORB-OCCSQVGLSA-N 1 1 319.246 3.943 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000891823300 1015656712 /nfs/dbraw/zinc/65/67/12/1015656712.db2.gz PEBLBPCFIBEEKB-CVEARBPZSA-N 1 1 317.502 3.706 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ncc(C(C)(C)C)o1 ZINC000329291536 1015676921 /nfs/dbraw/zinc/67/69/21/1015676921.db2.gz QWJZGKJSYSHWDU-CYBMUJFWSA-N 1 1 307.438 3.693 20 30 DHEDMO Cc1cc(NC(=O)[C@H]2CCC(=O)[C@H](C)C2(C)C)cn2cc[nH+]c12 ZINC000329367067 1015692440 /nfs/dbraw/zinc/69/24/40/1015692440.db2.gz HFBWOWGLXXIRQP-GXTWGEPZSA-N 1 1 313.401 3.872 20 30 DHEDMO Cc1cc2c(cc1NC(=O)CC[C@H]1CCCC[N@@H+]1C)OCO2 ZINC000329403265 1015698102 /nfs/dbraw/zinc/69/81/02/1015698102.db2.gz YRTCTCANBJCZKJ-CYBMUJFWSA-N 1 1 304.390 3.576 20 30 DHEDMO C=CCc1cc(C[N@H+](C)[C@H](CC)CSC)c(O)c(OC)c1 ZINC000091024774 1015705215 /nfs/dbraw/zinc/70/52/15/1015705215.db2.gz MKDQFQLVWMRGET-OAHLLOKOSA-N 1 1 309.475 3.703 20 30 DHEDMO C[C@H](NC(=O)CNC(=O)CC1CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000329486319 1015716147 /nfs/dbraw/zinc/71/61/47/1015716147.db2.gz GHGBJTOSFXIKLL-AWEZNQCLSA-N 1 1 321.465 3.520 20 30 DHEDMO CC1(C)CCC[C@]1(O)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000329498341 1015718627 /nfs/dbraw/zinc/71/86/27/1015718627.db2.gz JSFACYAAYCNAGH-KXBFYZLASA-N 1 1 322.493 3.539 20 30 DHEDMO Cc1cc(C)c(C#N)c(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000538098337 1015760411 /nfs/dbraw/zinc/76/04/11/1015760411.db2.gz FIRVUYABXMJJAS-WMZOPIPTSA-N 1 1 320.440 3.818 20 30 DHEDMO CCSC[C@H](C)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001173305984 1033660308 /nfs/dbraw/zinc/66/03/08/1033660308.db2.gz CQEFSYLEAFMJRJ-HOCLYGCPSA-N 1 1 304.459 3.543 20 30 DHEDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(C#N)ccc1OC ZINC000610953098 1015961978 /nfs/dbraw/zinc/96/19/78/1015961978.db2.gz IKJWBBLKEFXAPU-UHFFFAOYSA-N 1 1 324.424 3.988 20 30 DHEDMO CC(C)C[N@@H+](CCc1ccc(F)cc1)Cc1ccnc(C#N)c1 ZINC000610992167 1016000533 /nfs/dbraw/zinc/00/05/33/1016000533.db2.gz GSPVAHJJACIMBW-UHFFFAOYSA-N 1 1 311.404 3.793 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCCC[C@@](C)(C(=O)OCC)C2)CC1 ZINC001173321818 1033686508 /nfs/dbraw/zinc/68/65/08/1033686508.db2.gz PZPGZUPVPRPYLH-FAFZWHIHSA-N 1 1 323.477 3.556 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)cc1 ZINC000119475701 1016097119 /nfs/dbraw/zinc/09/71/19/1016097119.db2.gz ITODLIKKCKPXCP-MRXNPFEDSA-N 1 1 310.372 3.695 20 30 DHEDMO c1ccc(C[N@H+]2CCC(N=Nc3cccc4cnccc43)C2)cc1 ZINC000728432565 1016114532 /nfs/dbraw/zinc/11/45/32/1016114532.db2.gz WWZHALSPVGVTOB-UHFFFAOYSA-N 1 1 316.408 3.909 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)cs1 ZINC000892052854 1016162419 /nfs/dbraw/zinc/16/24/19/1016162419.db2.gz RJXRLTGSYKEAMT-INIZCTEOSA-N 1 1 300.452 3.910 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCS[C@H](c3ccccc3)C2)cs1 ZINC000892052854 1016162421 /nfs/dbraw/zinc/16/24/21/1016162421.db2.gz RJXRLTGSYKEAMT-INIZCTEOSA-N 1 1 300.452 3.910 20 30 DHEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000934182981 1016190105 /nfs/dbraw/zinc/19/01/05/1016190105.db2.gz PAWVIYYUENLQOO-ZHALLVOQSA-N 1 1 314.473 3.616 20 30 DHEDMO Cc1cc(C)c(C#N)c(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000071952811 1016269047 /nfs/dbraw/zinc/26/90/47/1016269047.db2.gz OXMWLZFSKDOOMH-GOSISDBHSA-N 1 1 320.440 3.647 20 30 DHEDMO COc1ccc(C[N@@H+](C)CCC(C)(C)C#N)cc1OC(F)F ZINC000157631153 1016288510 /nfs/dbraw/zinc/28/85/10/1016288510.db2.gz BBUUERYUTWSPOW-UHFFFAOYSA-N 1 1 312.360 3.668 20 30 DHEDMO Cn1ncc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1C1CC1 ZINC000892202809 1016423482 /nfs/dbraw/zinc/42/34/82/1016423482.db2.gz UIYHZSLQEMIPPX-RTBURBONSA-N 1 1 320.440 3.569 20 30 DHEDMO Cn1ncc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1C1CC1 ZINC000892202809 1016423489 /nfs/dbraw/zinc/42/34/89/1016423489.db2.gz UIYHZSLQEMIPPX-RTBURBONSA-N 1 1 320.440 3.569 20 30 DHEDMO C[N@@H+]1Cc2ccc(N=Cc3cc4ccccc4[nH]c3=O)cc2C1 ZINC000255494379 1016455897 /nfs/dbraw/zinc/45/58/97/1016455897.db2.gz KXJKNZDWLLKDFV-UHFFFAOYSA-N 1 1 303.365 3.636 20 30 DHEDMO C[N@H+]1Cc2ccc(N=Cc3cc4ccccc4[nH]c3=O)cc2C1 ZINC000255494379 1016455906 /nfs/dbraw/zinc/45/59/06/1016455906.db2.gz KXJKNZDWLLKDFV-UHFFFAOYSA-N 1 1 303.365 3.636 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143441547 1016460708 /nfs/dbraw/zinc/46/07/08/1016460708.db2.gz ABKZLDWPRVLJMY-LLVKDONJSA-N 1 1 301.283 3.570 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)Cc1ccsc1 ZINC000582268656 1016544686 /nfs/dbraw/zinc/54/46/86/1016544686.db2.gz YDJSZZWWDMIEPR-AWEZNQCLSA-N 1 1 305.443 3.843 20 30 DHEDMO C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)CC(C)(C)C#N ZINC000354043717 1016559988 /nfs/dbraw/zinc/55/99/88/1016559988.db2.gz ZJXMMRXESYVNSU-UHFFFAOYSA-N 1 1 302.809 3.712 20 30 DHEDMO C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)CC(C)(C)C#N ZINC000354043717 1016559995 /nfs/dbraw/zinc/55/99/95/1016559995.db2.gz ZJXMMRXESYVNSU-UHFFFAOYSA-N 1 1 302.809 3.712 20 30 DHEDMO CCC(CC)[N@H+](Cc1cccc(C(=O)OC)c1C#N)CC(C)C ZINC001167562210 1016570846 /nfs/dbraw/zinc/57/08/46/1016570846.db2.gz IUSGCFVCBKHXKS-UHFFFAOYSA-N 1 1 316.445 3.991 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC001167562775 1016579369 /nfs/dbraw/zinc/57/93/69/1016579369.db2.gz PXRTYZGQPGEFFS-CVEARBPZSA-N 1 1 310.482 3.968 20 30 DHEDMO C=CCC[C@H]([NH2+]Cc1nnc(C)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000428323979 1016617674 /nfs/dbraw/zinc/61/76/74/1016617674.db2.gz KEIAGLQNGHRALT-AWEZNQCLSA-N 1 1 324.350 3.929 20 30 DHEDMO COc1ccncc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000346899610 1016622560 /nfs/dbraw/zinc/62/25/60/1016622560.db2.gz IPPWRNRVOUNNIJ-UHFFFAOYSA-N 1 1 309.413 3.620 20 30 DHEDMO C#CCC(C)(C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000185134186 1016626918 /nfs/dbraw/zinc/62/69/18/1016626918.db2.gz YYFGWFODZMAUBS-MRXNPFEDSA-N 1 1 312.457 3.907 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000346942403 1016648536 /nfs/dbraw/zinc/64/85/36/1016648536.db2.gz KVQMTVZSKHOJSZ-INIZCTEOSA-N 1 1 323.444 3.591 20 30 DHEDMO CC(C)(C/N=C\c1ccccc1O)[N@H+]1CCc2ccccc2C1 ZINC000255502916 1016661344 /nfs/dbraw/zinc/66/13/44/1016661344.db2.gz DRGFWQPMOCECAT-BKUYFWCQSA-N 1 1 308.425 3.648 20 30 DHEDMO COc1cc(C[NH2+]C2(c3nccs3)CCCC2)ccc1C#N ZINC000281667536 1016656447 /nfs/dbraw/zinc/65/64/47/1016656447.db2.gz LHTHQVKHUVVAIY-UHFFFAOYSA-N 1 1 313.426 3.582 20 30 DHEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000934460660 1016729088 /nfs/dbraw/zinc/72/90/88/1016729088.db2.gz NJQSQZPOILTCIP-CMPLNLGQSA-N 1 1 302.447 3.602 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000934460660 1016729100 /nfs/dbraw/zinc/72/91/00/1016729100.db2.gz NJQSQZPOILTCIP-CMPLNLGQSA-N 1 1 302.447 3.602 20 30 DHEDMO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC[C@H]1CCCO1 ZINC000342568697 1016780554 /nfs/dbraw/zinc/78/05/54/1016780554.db2.gz MGXXHTQLGCYVAB-MRXNPFEDSA-N 1 1 311.347 3.558 20 30 DHEDMO N#Cc1cccc(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccco2)c1 ZINC000121259476 1017042039 /nfs/dbraw/zinc/04/20/39/1017042039.db2.gz HFFIBYJQIMCODQ-QGZVFWFLSA-N 1 1 323.396 3.707 20 30 DHEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCCCC[C@@H]2c2ccco2)c1 ZINC000121259476 1017042052 /nfs/dbraw/zinc/04/20/52/1017042052.db2.gz HFFIBYJQIMCODQ-QGZVFWFLSA-N 1 1 323.396 3.707 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3C)C2)cc1 ZINC000186192975 1017045177 /nfs/dbraw/zinc/04/51/77/1017045177.db2.gz HWOQFJBUVXJVDF-LJQANCHMSA-N 1 1 306.409 3.865 20 30 DHEDMO CCC[N@@H+](CC(=O)[C@H](C#N)c1nc2ccccc2s1)C(C)C ZINC000847025990 1032185245 /nfs/dbraw/zinc/18/52/45/1032185245.db2.gz KOYYFLBWOPOHJE-ZDUSSCGKSA-N 1 1 315.442 3.593 20 30 DHEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000117877638 1032229193 /nfs/dbraw/zinc/22/91/93/1032229193.db2.gz AFHGRIWDUGZTSO-QGZVFWFLSA-N 1 1 315.461 3.795 20 30 DHEDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001171305301 1032311280 /nfs/dbraw/zinc/31/12/80/1032311280.db2.gz AWPDKTSXGKHVGD-FRRDWIJNSA-N 1 1 319.836 3.517 20 30 DHEDMO N#Cc1cc(N2CCC[N@H+](C3CCCC3)CC2)c2ccccc2n1 ZINC000078295216 1032399312 /nfs/dbraw/zinc/39/93/12/1032399312.db2.gz PFJWVQYBVMDUTN-UHFFFAOYSA-N 1 1 320.440 3.561 20 30 DHEDMO C=C(C)COc1cc(C[N@H+](CC)C[C@H](C)C#N)ccc1OC ZINC000091984230 1032468274 /nfs/dbraw/zinc/46/82/74/1032468274.db2.gz KAGOMPTZBPHNPE-OAHLLOKOSA-N 1 1 302.418 3.632 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](CC)C[C@H](C)C#N)ccc1OC ZINC000091984230 1032468277 /nfs/dbraw/zinc/46/82/77/1032468277.db2.gz KAGOMPTZBPHNPE-OAHLLOKOSA-N 1 1 302.418 3.632 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@H](C)C2(C)CC2)cc1OCCCC#N ZINC000091900890 1032462650 /nfs/dbraw/zinc/46/26/50/1032462650.db2.gz OIKYSMYHOCFIOG-OAHLLOKOSA-N 1 1 316.445 3.998 20 30 DHEDMO CC(C)(CCC#N)C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000091902481 1032463138 /nfs/dbraw/zinc/46/31/38/1032463138.db2.gz YGAPRYSUUWLLSB-SFHVURJKSA-N 1 1 300.446 3.650 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCCC3(CCC3)C2)c(OC(F)F)c1 ZINC000348176831 1032489073 /nfs/dbraw/zinc/48/90/73/1032489073.db2.gz GLZCSTGLHNHEJP-UHFFFAOYSA-N 1 1 306.356 3.926 20 30 DHEDMO C=CC[N@H+](Cc1ccc(COC)cc1)Cc1cccc(C#N)c1 ZINC000092504353 1032499446 /nfs/dbraw/zinc/49/94/46/1032499446.db2.gz KPZDVYDBGCHJKI-UHFFFAOYSA-N 1 1 306.409 3.893 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000093048969 1032520467 /nfs/dbraw/zinc/52/04/67/1032520467.db2.gz XRZWKMVBKZFGNL-HNNXBMFYSA-N 1 1 300.402 3.882 20 30 DHEDMO C=CCn1cc(C[NH2+][C@@H](CC(C)(C)C)c2ccc(F)cc2)nn1 ZINC000424294896 1011964936 /nfs/dbraw/zinc/96/49/36/1011964936.db2.gz LSGSRFFUMPOQFY-KRWDZBQOSA-N 1 1 316.424 3.870 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000424607311 1012057694 /nfs/dbraw/zinc/05/76/94/1012057694.db2.gz KQMFNKBIHKSDHD-NVXWUHKLSA-N 1 1 300.446 3.540 20 30 DHEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000424695433 1012093223 /nfs/dbraw/zinc/09/32/23/1012093223.db2.gz XOLFDQQMGZZNKD-GOEBONIOSA-N 1 1 320.502 3.850 20 30 DHEDMO C[C@H](C#N)C[N@@H+](C)CCCCOc1ccccc1C(F)(F)F ZINC000513959355 1012229265 /nfs/dbraw/zinc/22/92/65/1012229265.db2.gz KMILLYUIIRUDCC-CYBMUJFWSA-N 1 1 314.351 3.956 20 30 DHEDMO C[C@H]1COCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000513973207 1012232190 /nfs/dbraw/zinc/23/21/90/1012232190.db2.gz QUSWATFCHXZNJR-MRXNPFEDSA-N 1 1 306.409 3.694 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000514214640 1012293177 /nfs/dbraw/zinc/29/31/77/1012293177.db2.gz NEAAUDWLZBHVRN-NHCUHLMSSA-N 1 1 318.420 3.979 20 30 DHEDMO C=CC[C@H](Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2)C(=O)OC ZINC000887309147 1032616656 /nfs/dbraw/zinc/61/66/56/1032616656.db2.gz OAPFBCUNLILRKK-KDOFPFPSSA-N 1 1 316.445 3.576 20 30 DHEDMO C=C(C)CN1CCC([NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924985666 1012365796 /nfs/dbraw/zinc/36/57/96/1012365796.db2.gz IRULJFSOVWTTLZ-KRWDZBQOSA-N 1 1 319.880 3.743 20 30 DHEDMO C=CC(C)(C)CC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001269898810 1012399182 /nfs/dbraw/zinc/39/91/82/1012399182.db2.gz CPOBNXDSZFOURA-GOSISDBHSA-N 1 1 314.473 3.616 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000514726955 1012425028 /nfs/dbraw/zinc/42/50/28/1012425028.db2.gz KETOBKWRXDQCPY-IEBWSBKVSA-N 1 1 301.430 3.642 20 30 DHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCCC1 ZINC000514745047 1012430271 /nfs/dbraw/zinc/43/02/71/1012430271.db2.gz NWJCTDZCPCCSQN-LJQANCHMSA-N 1 1 317.473 3.809 20 30 DHEDMO C#CC(=O)N1CCC[C@]2(CCC[N@H+](C[C@H](CC)CCCC)C2)C1 ZINC001269942580 1012470575 /nfs/dbraw/zinc/47/05/75/1012470575.db2.gz UHFMKNGSVISICO-QUCCMNQESA-N 1 1 318.505 3.541 20 30 DHEDMO C#CC(=O)N1CCC[C@@]2(CCC[N@H+](C[C@@H](CC)CCCC)C2)C1 ZINC001269942578 1012472674 /nfs/dbraw/zinc/47/26/74/1012472674.db2.gz UHFMKNGSVISICO-AZUAARDMSA-N 1 1 318.505 3.541 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@H]1CCc3c(F)cccc3C1)CC2 ZINC001171421947 1032633479 /nfs/dbraw/zinc/63/34/79/1032633479.db2.gz NGULRKKMTFVTJJ-SFHVURJKSA-N 1 1 306.384 3.613 20 30 DHEDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425366443 1012496148 /nfs/dbraw/zinc/49/61/48/1012496148.db2.gz PYALGQAVWDXIMQ-AWEZNQCLSA-N 1 1 309.369 3.968 20 30 DHEDMO CCc1nn(C)c(CC)c1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425366214 1012496390 /nfs/dbraw/zinc/49/63/90/1012496390.db2.gz OVICIEZDLPZNSK-AWEZNQCLSA-N 1 1 310.445 3.610 20 30 DHEDMO COC(=O)c1ccccc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425369204 1012504227 /nfs/dbraw/zinc/50/42/27/1012504227.db2.gz ZEJYJJZFBDSSHO-CQSZACIVSA-N 1 1 308.381 3.538 20 30 DHEDMO COC(=O)c1ccccc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425369204 1012504242 /nfs/dbraw/zinc/50/42/42/1012504242.db2.gz ZEJYJJZFBDSSHO-CQSZACIVSA-N 1 1 308.381 3.538 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660710562 1012504491 /nfs/dbraw/zinc/50/44/91/1012504491.db2.gz UZNRJBCDRGKGGE-AAEUAGOBSA-N 1 1 307.825 3.536 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710562 1012504525 /nfs/dbraw/zinc/50/45/25/1012504525.db2.gz UZNRJBCDRGKGGE-AAEUAGOBSA-N 1 1 307.825 3.536 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710562 1012504552 /nfs/dbraw/zinc/50/45/52/1012504552.db2.gz UZNRJBCDRGKGGE-AAEUAGOBSA-N 1 1 307.825 3.536 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000515074817 1012548752 /nfs/dbraw/zinc/54/87/52/1012548752.db2.gz RARPCOAZUBOFKC-IBGZPJMESA-N 1 1 310.372 3.638 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000515074817 1012548766 /nfs/dbraw/zinc/54/87/66/1012548766.db2.gz RARPCOAZUBOFKC-IBGZPJMESA-N 1 1 310.372 3.638 20 30 DHEDMO N#Cc1cccc(OCCC[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000515168337 1012567521 /nfs/dbraw/zinc/56/75/21/1012567521.db2.gz WKJHTTDRNODIMG-QGZVFWFLSA-N 1 1 324.399 3.956 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000515509042 1012645276 /nfs/dbraw/zinc/64/52/76/1012645276.db2.gz PXWMBORRXQOIPN-GOSISDBHSA-N 1 1 300.446 3.557 20 30 DHEDMO CC(C)Oc1ncccc1CC[N@H+](CCC#N)Cc1ccccc1 ZINC001208789562 1012653715 /nfs/dbraw/zinc/65/37/15/1012653715.db2.gz ZSXABHBRAOASBJ-UHFFFAOYSA-N 1 1 323.440 3.827 20 30 DHEDMO CC(C)Oc1ncccc1CC[N@@H+](CCC#N)Cc1ccccc1 ZINC001208789562 1012653718 /nfs/dbraw/zinc/65/37/18/1012653718.db2.gz ZSXABHBRAOASBJ-UHFFFAOYSA-N 1 1 323.440 3.827 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000302916835 1012665673 /nfs/dbraw/zinc/66/56/73/1012665673.db2.gz NYXPFAFKNMTAGG-SFHVURJKSA-N 1 1 306.425 3.537 20 30 DHEDMO COC(=O)c1cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cs1 ZINC000425529377 1012734743 /nfs/dbraw/zinc/73/47/43/1012734743.db2.gz BKXIXRBNWDLKMG-LBPRGKRZSA-N 1 1 314.410 3.599 20 30 DHEDMO COC(=O)c1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cs1 ZINC000425529377 1012734757 /nfs/dbraw/zinc/73/47/57/1012734757.db2.gz BKXIXRBNWDLKMG-LBPRGKRZSA-N 1 1 314.410 3.599 20 30 DHEDMO Cc1cc(C)cc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425535226 1012737214 /nfs/dbraw/zinc/73/72/14/1012737214.db2.gz NBSXEZTWOCGEHN-INIZCTEOSA-N 1 1 321.424 3.807 20 30 DHEDMO Cc1cc(C)cc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425535226 1012737221 /nfs/dbraw/zinc/73/72/21/1012737221.db2.gz NBSXEZTWOCGEHN-INIZCTEOSA-N 1 1 321.424 3.807 20 30 DHEDMO C=CCCC(C)(C)NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000664624344 1012825382 /nfs/dbraw/zinc/82/53/82/1012825382.db2.gz FNTONLPSBBRTSX-HZPDHXFCSA-N 1 1 321.509 3.683 20 30 DHEDMO C=CCCC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000123876651 1032664605 /nfs/dbraw/zinc/66/46/05/1032664605.db2.gz YTQJKSOVXZXPEP-DYVFJYSZSA-N 1 1 324.827 3.554 20 30 DHEDMO Cc1nc(NCCC[N@@H+]2CCCC[C@@H]2C)c(Cl)cc1C#N ZINC000336848081 1012940174 /nfs/dbraw/zinc/94/01/74/1012940174.db2.gz HHEANIYHLFNLMH-LBPRGKRZSA-N 1 1 306.841 3.592 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnc2nc(C)cc(C)n12)Cc1ccccc1 ZINC000475273483 1017110713 /nfs/dbraw/zinc/11/07/13/1017110713.db2.gz DRTDHWBZTLYUCU-UHFFFAOYSA-N 1 1 320.440 3.924 20 30 DHEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000342767050 1017193045 /nfs/dbraw/zinc/19/30/45/1017193045.db2.gz VOZLSWYKWJNIGD-LLVKDONJSA-N 1 1 300.324 3.540 20 30 DHEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn(-c2ccncc2)nc1C ZINC000657529886 1017197325 /nfs/dbraw/zinc/19/73/25/1017197325.db2.gz KKMORPJDOQLGEE-APWZRJJASA-N 1 1 310.445 3.800 20 30 DHEDMO Cc1cc(C[NH2+]Cc2c(F)cccc2OC(F)F)ccc1C#N ZINC000475426073 1017214006 /nfs/dbraw/zinc/21/40/06/1017214006.db2.gz VLGTWHBPEAHPMN-UHFFFAOYSA-N 1 1 320.314 3.897 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+](CCCC)[C@@H](C)c2ccc(C)o2)C1=O ZINC000685000659 1017222635 /nfs/dbraw/zinc/22/26/35/1017222635.db2.gz XIDYFTCZXCERFA-JKSUJKDBSA-N 1 1 304.434 3.538 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065512 1017230560 /nfs/dbraw/zinc/23/05/60/1017230560.db2.gz XBRHIXMSESPCCW-RCLSDMTESA-N 1 1 310.485 3.773 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000186434340 1017269245 /nfs/dbraw/zinc/26/92/45/1017269245.db2.gz NIZLGPGGDUQNDJ-MRXNPFEDSA-N 1 1 316.408 3.937 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000054271909 1017288583 /nfs/dbraw/zinc/28/85/83/1017288583.db2.gz YCWYWXIPIRLBJD-UHFFFAOYSA-N 1 1 312.369 3.792 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000054271909 1017288597 /nfs/dbraw/zinc/28/85/97/1017288597.db2.gz YCWYWXIPIRLBJD-UHFFFAOYSA-N 1 1 312.369 3.792 20 30 DHEDMO N#Cc1cccc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000067507099 1017366749 /nfs/dbraw/zinc/36/67/49/1017366749.db2.gz ZDILQHGZYNVWRB-NRFANRHFSA-N 1 1 319.452 3.560 20 30 DHEDMO N#Cc1cccc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000067507099 1017366757 /nfs/dbraw/zinc/36/67/57/1017366757.db2.gz ZDILQHGZYNVWRB-NRFANRHFSA-N 1 1 319.452 3.560 20 30 DHEDMO N#Cc1cccc(C[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000067507099 1017366840 /nfs/dbraw/zinc/36/68/40/1017366840.db2.gz ZDILQHGZYNVWRB-NRFANRHFSA-N 1 1 319.452 3.560 20 30 DHEDMO CCOC(=O)C[N@H+](CCCC(C)(C)C#N)[C@@H](C)c1ccccc1 ZINC000180165779 1017385422 /nfs/dbraw/zinc/38/54/22/1017385422.db2.gz MWVSGEAGSIIPII-INIZCTEOSA-N 1 1 316.445 3.943 20 30 DHEDMO CCOC(=O)C[N@@H+](CCCC(C)(C)C#N)[C@@H](C)c1ccccc1 ZINC000180165779 1017385460 /nfs/dbraw/zinc/38/54/60/1017385460.db2.gz MWVSGEAGSIIPII-INIZCTEOSA-N 1 1 316.445 3.943 20 30 DHEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268620830 1017565632 /nfs/dbraw/zinc/56/56/32/1017565632.db2.gz NPGWSOLNDVEYKM-FZKQIMNGSA-N 1 1 314.816 3.938 20 30 DHEDMO C=CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000083168393 1017596639 /nfs/dbraw/zinc/59/66/39/1017596639.db2.gz OXIVJZVVIALPCC-UHFFFAOYSA-N 1 1 323.352 3.924 20 30 DHEDMO C=CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000083168393 1017596662 /nfs/dbraw/zinc/59/66/62/1017596662.db2.gz OXIVJZVVIALPCC-UHFFFAOYSA-N 1 1 323.352 3.924 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000444684375 1017614459 /nfs/dbraw/zinc/61/44/59/1017614459.db2.gz JKUCWHMHZCVIRW-UHFFFAOYSA-N 1 1 306.409 3.730 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3scnc32)cc1 ZINC000623981756 1017621205 /nfs/dbraw/zinc/62/12/05/1017621205.db2.gz SOGYKDLQXDSGMZ-OAHLLOKOSA-N 1 1 300.427 3.875 20 30 DHEDMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046529878 1017622150 /nfs/dbraw/zinc/62/21/50/1017622150.db2.gz DXRMGQYAOUOWMC-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046529878 1017622157 /nfs/dbraw/zinc/62/21/57/1017622157.db2.gz DXRMGQYAOUOWMC-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO CC(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000444750159 1017658876 /nfs/dbraw/zinc/65/88/76/1017658876.db2.gz YNGWXESVYZZLLV-CQSZACIVSA-N 1 1 319.836 3.518 20 30 DHEDMO C=CC[C@@H]1[N@H+](C[C@H](O)COCc2cccs2)CCCC1(C)C ZINC000444782017 1017660802 /nfs/dbraw/zinc/66/08/02/1017660802.db2.gz IACKLRDILMVZEU-RDJZCZTQSA-N 1 1 323.502 3.692 20 30 DHEDMO C=CC[C@H]1[N@H+](C[C@H](O)COCc2cccs2)CCCC1(C)C ZINC000444782015 1017662425 /nfs/dbraw/zinc/66/24/25/1017662425.db2.gz IACKLRDILMVZEU-DOTOQJQBSA-N 1 1 323.502 3.692 20 30 DHEDMO C=C1CC[NH+](Cc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000628164101 1017677176 /nfs/dbraw/zinc/67/71/76/1017677176.db2.gz CZZAPQAZNWOAQJ-UHFFFAOYSA-N 1 1 303.299 3.919 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000625700557 1017774756 /nfs/dbraw/zinc/77/47/56/1017774756.db2.gz KGGQZGPVILGUBI-ZDUSSCGKSA-N 1 1 317.820 3.831 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000625700755 1017779109 /nfs/dbraw/zinc/77/91/09/1017779109.db2.gz LEGWPJDHPGAAQF-JTQLQIEISA-N 1 1 323.318 3.552 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000625703570 1017779795 /nfs/dbraw/zinc/77/97/95/1017779795.db2.gz NCTZRRCARCUYQY-QGZVFWFLSA-N 1 1 312.457 3.711 20 30 DHEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CCOc1ccccc1C#N ZINC000445267532 1017803332 /nfs/dbraw/zinc/80/33/32/1017803332.db2.gz XGUXVOCIFVSTHZ-OAHLLOKOSA-N 1 1 312.388 3.639 20 30 DHEDMO C=CCN(Cc1ccccc1F)C(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000339263886 1017834577 /nfs/dbraw/zinc/83/45/77/1017834577.db2.gz JTZMIOHAUOCXRM-MRXNPFEDSA-N 1 1 318.436 3.605 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000091509177 1017860603 /nfs/dbraw/zinc/86/06/03/1017860603.db2.gz XJZCCGDUNNVTEO-OAHLLOKOSA-N 1 1 306.475 3.641 20 30 DHEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000091531180 1017949904 /nfs/dbraw/zinc/94/99/04/1017949904.db2.gz UFNXBMJEGRMMAF-KRWDZBQOSA-N 1 1 302.462 3.700 20 30 DHEDMO C=CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000123244403 1017968901 /nfs/dbraw/zinc/96/89/01/1017968901.db2.gz OVJNDMVORLISSH-KGLIPLIRSA-N 1 1 312.417 3.506 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cncn1Cc1ccccc1 ZINC000445819805 1017984224 /nfs/dbraw/zinc/98/42/24/1017984224.db2.gz CVDRDDVWBUDVQJ-UHFFFAOYSA-N 1 1 321.424 3.755 20 30 DHEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)c1 ZINC000172359027 1018038824 /nfs/dbraw/zinc/03/88/24/1018038824.db2.gz VKZQGPVNNAEXMK-HXUWFJFHSA-N 1 1 305.425 3.961 20 30 DHEDMO CC[N@@H+](CCCC(C)(C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183754695 1018040304 /nfs/dbraw/zinc/04/03/04/1018040304.db2.gz BMJWOEUBECFKRU-IBGZPJMESA-N 1 1 313.489 3.913 20 30 DHEDMO COc1ccc(C[NH2+]C[C@@H](C)C#N)cc1OCc1ccccc1 ZINC000183826068 1018045481 /nfs/dbraw/zinc/04/54/81/1018045481.db2.gz ARLNNRCHFMJWBU-HNNXBMFYSA-N 1 1 310.397 3.523 20 30 DHEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000183834595 1018046863 /nfs/dbraw/zinc/04/68/63/1018046863.db2.gz DSRXHKZISIWCFH-NSHDSACASA-N 1 1 301.371 3.573 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 ZINC000027285135 1018054944 /nfs/dbraw/zinc/05/49/44/1018054944.db2.gz OLJOTHHENYALTP-UHFFFAOYSA-N 1 1 319.836 3.805 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cn1ccc(-c2nccs2)n1 ZINC000766069315 1018140084 /nfs/dbraw/zinc/14/00/84/1018140084.db2.gz XWYPQZVDLWXYOV-UHFFFAOYSA-N 1 1 310.426 3.652 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)Cn1ccc(-c2nccs2)n1 ZINC000766069315 1018140093 /nfs/dbraw/zinc/14/00/93/1018140093.db2.gz XWYPQZVDLWXYOV-UHFFFAOYSA-N 1 1 310.426 3.652 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Br)C1 ZINC001137526385 1018206800 /nfs/dbraw/zinc/20/68/00/1018206800.db2.gz LQJIFFLCGOIUNR-NSHDSACASA-N 1 1 312.638 3.948 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Br)C1 ZINC001137526385 1018206807 /nfs/dbraw/zinc/20/68/07/1018206807.db2.gz LQJIFFLCGOIUNR-NSHDSACASA-N 1 1 312.638 3.948 20 30 DHEDMO C=CC[N@@H+](CC#Cc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000446764335 1018239174 /nfs/dbraw/zinc/23/91/74/1018239174.db2.gz GIAJHDKQVYERPH-UHFFFAOYSA-N 1 1 304.368 3.737 20 30 DHEDMO C=CC[N@H+](CC#Cc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000446764335 1018239181 /nfs/dbraw/zinc/23/91/81/1018239181.db2.gz GIAJHDKQVYERPH-UHFFFAOYSA-N 1 1 304.368 3.737 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1ccc(OC)cc1OCc1cccnc1 ZINC000446818346 1018252848 /nfs/dbraw/zinc/25/28/48/1018252848.db2.gz NGDOTNASIQKXNF-UHFFFAOYSA-N 1 1 312.413 3.677 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)cc1Cl ZINC000428456310 1018278820 /nfs/dbraw/zinc/27/88/20/1018278820.db2.gz UKXJQGPIXRWRNV-HZPDHXFCSA-N 1 1 309.837 3.640 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171541105 1032753767 /nfs/dbraw/zinc/75/37/67/1032753767.db2.gz FLRSNHHOHWQSNK-AAEUAGOBSA-N 1 1 308.347 3.587 20 30 DHEDMO CC#CCC[N@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000764955365 1018436628 /nfs/dbraw/zinc/43/66/28/1018436628.db2.gz YRXSQAYYQSXEEZ-DLBZAZTESA-N 1 1 320.477 3.511 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1OC ZINC000127390527 1032766415 /nfs/dbraw/zinc/76/64/15/1032766415.db2.gz YXKMZOOERTUSOS-QGZVFWFLSA-N 1 1 312.413 3.925 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1OC ZINC000127390793 1032768099 /nfs/dbraw/zinc/76/80/99/1032768099.db2.gz YXKMZOOERTUSOS-KRWDZBQOSA-N 1 1 312.413 3.925 20 30 DHEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000175119314 1018501826 /nfs/dbraw/zinc/50/18/26/1018501826.db2.gz QHLHIBSVYKGLKV-IBGZPJMESA-N 1 1 309.413 3.503 20 30 DHEDMO CCOC(=O)CC[C@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246736355 1018503572 /nfs/dbraw/zinc/50/35/72/1018503572.db2.gz PBUXTXCSLKQXBJ-NVXWUHKLSA-N 1 1 314.429 3.675 20 30 DHEDMO CC(C)[N@H+](C)CC1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000527377583 1018567103 /nfs/dbraw/zinc/56/71/03/1018567103.db2.gz YJWOTXDSVJKIOE-UHFFFAOYSA-N 1 1 319.880 3.764 20 30 DHEDMO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000527377583 1018567105 /nfs/dbraw/zinc/56/71/05/1018567105.db2.gz YJWOTXDSVJKIOE-UHFFFAOYSA-N 1 1 319.880 3.764 20 30 DHEDMO C=CC1(CC(=O)N(C)CCCn2cc[nH+]c2C)CCCCC1 ZINC000935009942 1018586435 /nfs/dbraw/zinc/58/64/35/1018586435.db2.gz AAEAXQFISFOZRG-UHFFFAOYSA-N 1 1 303.450 3.567 20 30 DHEDMO C=CC[N@H+](Cc1ccc(-c2ncco2)cc1F)[C@@H](C)COC ZINC000661238999 1018672921 /nfs/dbraw/zinc/67/29/21/1018672921.db2.gz BKLNNDYSSSEHDF-ZDUSSCGKSA-N 1 1 304.365 3.504 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(-c2ncco2)cc1F)[C@@H](C)COC ZINC000661238999 1018672925 /nfs/dbraw/zinc/67/29/25/1018672925.db2.gz BKLNNDYSSSEHDF-ZDUSSCGKSA-N 1 1 304.365 3.504 20 30 DHEDMO C[C@@H]1C[C@@H]([N@@H+](C)CCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000131780216 1018759177 /nfs/dbraw/zinc/75/91/77/1018759177.db2.gz ROXBJPRQNQBNJS-MJGOQNOKSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@@H]1C[C@@H](N(C)CCC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000131780216 1018759184 /nfs/dbraw/zinc/75/91/84/1018759184.db2.gz ROXBJPRQNQBNJS-MJGOQNOKSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@@H]1C[C@@H](N(C)CCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000131780216 1018759190 /nfs/dbraw/zinc/75/91/90/1018759190.db2.gz ROXBJPRQNQBNJS-MJGOQNOKSA-N 1 1 313.489 3.911 20 30 DHEDMO COc1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@@H](C#N)CC3)CCO2)cc1 ZINC001168663237 1018777731 /nfs/dbraw/zinc/77/77/31/1018777731.db2.gz SSQAXQQAXOSKEB-AYBZRNKSSA-N 1 1 314.429 3.541 20 30 DHEDMO CC[N@@H+](Cc1cccc(C(=O)NC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000072959404 1018795268 /nfs/dbraw/zinc/79/52/68/1018795268.db2.gz IBVFTYYWMSJDOD-HNNXBMFYSA-N 1 1 321.424 3.501 20 30 DHEDMO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000109784805 1018808441 /nfs/dbraw/zinc/80/84/41/1018808441.db2.gz ZRGNRTMWAPQJHQ-CQSZACIVSA-N 1 1 305.381 3.710 20 30 DHEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000109784805 1018808473 /nfs/dbraw/zinc/80/84/73/1018808473.db2.gz ZRGNRTMWAPQJHQ-CQSZACIVSA-N 1 1 305.381 3.710 20 30 DHEDMO C=C[C@H](CC(=O)NCC[N@@H+]1CCCC[C@H]1CC)c1ccccc1 ZINC000536189674 1018828365 /nfs/dbraw/zinc/82/83/65/1018828365.db2.gz BDAHQQUSDRTWLS-IEBWSBKVSA-N 1 1 314.473 3.727 20 30 DHEDMO C=C[C@H](CC(=O)NCC[N@@H+]1CCCC[C@@H]1CC)c1ccccc1 ZINC000536189676 1018829621 /nfs/dbraw/zinc/82/96/21/1018829621.db2.gz BDAHQQUSDRTWLS-MJGOQNOKSA-N 1 1 314.473 3.727 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000710360982 1018854885 /nfs/dbraw/zinc/85/48/85/1018854885.db2.gz OXAYOLRRQPINQG-CYBMUJFWSA-N 1 1 303.818 3.658 20 30 DHEDMO CC(C)[N@@H+](CCOc1ccccc1C#N)Cc1cccc(F)c1 ZINC000514083666 1018872538 /nfs/dbraw/zinc/87/25/38/1018872538.db2.gz MBHLOTGFLYKQRF-UHFFFAOYSA-N 1 1 312.388 3.987 20 30 DHEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171611881 1032799335 /nfs/dbraw/zinc/79/93/35/1032799335.db2.gz DEWGKOBOYMODFJ-LSDHHAIUSA-N 1 1 310.482 3.918 20 30 DHEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2CC(C)(C)C)c(C#N)c1C ZINC000153899283 1018987958 /nfs/dbraw/zinc/98/79/58/1018987958.db2.gz LVNDSTNDTDYQTR-CQSZACIVSA-N 1 1 317.433 3.607 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(F)c1 ZINC000052866142 1019016955 /nfs/dbraw/zinc/01/69/55/1019016955.db2.gz CDTUBLLBRFTUTQ-IBGZPJMESA-N 1 1 324.399 3.879 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(F)c1 ZINC000052866142 1019016970 /nfs/dbraw/zinc/01/69/70/1019016970.db2.gz CDTUBLLBRFTUTQ-IBGZPJMESA-N 1 1 324.399 3.879 20 30 DHEDMO C[C@H]1CN(Cc2ccc(C#N)cc2Cl)CC[N@H+](C2CCC2)C1 ZINC000429383929 1019121893 /nfs/dbraw/zinc/12/18/93/1019121893.db2.gz IQKNBPKECHXMTC-AWEZNQCLSA-N 1 1 317.864 3.518 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(CNc2nc(Cl)c(C#N)s2)c1 ZINC000278739985 1019145997 /nfs/dbraw/zinc/14/59/97/1019145997.db2.gz QYQPNQMVVCVVKL-UHFFFAOYSA-N 1 1 320.849 3.732 20 30 DHEDMO CC(C)CC[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000077211705 1019263295 /nfs/dbraw/zinc/26/32/95/1019263295.db2.gz QUSFAXPVOOHAMO-UHFFFAOYSA-N 1 1 311.429 3.716 20 30 DHEDMO C=C(C)C[N@@H+](CC)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000077247127 1019268542 /nfs/dbraw/zinc/26/85/42/1019268542.db2.gz NPDLXTPAWPFRRL-UHFFFAOYSA-N 1 1 305.809 3.831 20 30 DHEDMO COc1nc2ccccc2cc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000611203173 1019413607 /nfs/dbraw/zinc/41/36/07/1019413607.db2.gz MIEWWMCPIGSPOM-UHFFFAOYSA-N 1 1 321.355 3.544 20 30 DHEDMO CCCC(N)=[NH+]OCc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000132193423 1019446213 /nfs/dbraw/zinc/44/62/13/1019446213.db2.gz FNVYQUQKBFAMQO-UHFFFAOYSA-N 1 1 307.781 3.892 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1C#N ZINC000611348307 1019456639 /nfs/dbraw/zinc/45/66/39/1019456639.db2.gz URSZYSJXWJSMCP-QFBILLFUSA-N 1 1 320.440 3.817 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1C#N ZINC000611348307 1019456645 /nfs/dbraw/zinc/45/66/45/1019456645.db2.gz URSZYSJXWJSMCP-QFBILLFUSA-N 1 1 320.440 3.817 20 30 DHEDMO COC(=O)C(C)(C)[C@@H]([NH2+]Cc1ccccc1C#N)c1ccccc1 ZINC000611405974 1019475095 /nfs/dbraw/zinc/47/50/95/1019475095.db2.gz SEQMZOKGWLOWDH-SFHVURJKSA-N 1 1 322.408 3.588 20 30 DHEDMO COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)cc1OCCCC#N ZINC000611521365 1019509555 /nfs/dbraw/zinc/50/95/55/1019509555.db2.gz AQOLYTMSNGEAQM-HOCLYGCPSA-N 1 1 320.408 3.558 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)cc1OCCCC#N ZINC000611521365 1019509567 /nfs/dbraw/zinc/50/95/67/1019509567.db2.gz AQOLYTMSNGEAQM-HOCLYGCPSA-N 1 1 320.408 3.558 20 30 DHEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000671699787 1019512066 /nfs/dbraw/zinc/51/20/66/1019512066.db2.gz UAKKHCXVKMWGKF-HOCLYGCPSA-N 1 1 313.363 3.822 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000611554312 1019513272 /nfs/dbraw/zinc/51/32/72/1019513272.db2.gz KURSWNZBOIJDCT-SMDDNHRTSA-N 1 1 312.335 3.730 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000611554312 1019513284 /nfs/dbraw/zinc/51/32/84/1019513284.db2.gz KURSWNZBOIJDCT-SMDDNHRTSA-N 1 1 312.335 3.730 20 30 DHEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000671699788 1019513607 /nfs/dbraw/zinc/51/36/07/1019513607.db2.gz UAKKHCXVKMWGKF-ZBFHGGJFSA-N 1 1 313.363 3.822 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000611554460 1019514089 /nfs/dbraw/zinc/51/40/89/1019514089.db2.gz QQQOHIMKKJBDFQ-SMDDNHRTSA-N 1 1 312.335 3.730 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000611554460 1019514092 /nfs/dbraw/zinc/51/40/92/1019514092.db2.gz QQQOHIMKKJBDFQ-SMDDNHRTSA-N 1 1 312.335 3.730 20 30 DHEDMO C[C@@H]1C[C@@H](N[C@@H](C#N)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC001171730025 1032848704 /nfs/dbraw/zinc/84/87/04/1032848704.db2.gz WUTPKHSOGFBATQ-YSGRDPCXSA-N 1 1 323.415 3.643 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000150184635 1019715881 /nfs/dbraw/zinc/71/58/81/1019715881.db2.gz KTRJSLFAMOYOBD-OAHLLOKOSA-N 1 1 307.397 3.580 20 30 DHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000347578496 1019720363 /nfs/dbraw/zinc/72/03/63/1019720363.db2.gz IBNDYDSGXSBSLB-FRRDWIJNSA-N 1 1 319.836 3.517 20 30 DHEDMO CN(C)c1ccc(C=[NH+]Nc2ccc(OC(F)F)cc2)cc1F ZINC000727651435 1019745903 /nfs/dbraw/zinc/74/59/03/1019745903.db2.gz YNHHTNIQBLQJDU-UHFFFAOYSA-N 1 1 323.318 3.939 20 30 DHEDMO C[C@@H]1C[C@@H](NC2=CC(=O)CC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC001171731987 1032850933 /nfs/dbraw/zinc/85/09/33/1032850933.db2.gz FUANJKSAQSJGFG-CRAIPNDOSA-N 1 1 312.457 3.512 20 30 DHEDMO CCCC[N@@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000108355815 1019766713 /nfs/dbraw/zinc/76/67/13/1019766713.db2.gz QKSXKRICCCYVJJ-CQSZACIVSA-N 1 1 319.474 3.609 20 30 DHEDMO C[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC001171757035 1032856526 /nfs/dbraw/zinc/85/65/26/1032856526.db2.gz QTNZTVHXUWHWJG-DYESRHJHSA-N 1 1 319.452 3.653 20 30 DHEDMO C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC001171757035 1032856537 /nfs/dbraw/zinc/85/65/37/1032856537.db2.gz QTNZTVHXUWHWJG-DYESRHJHSA-N 1 1 319.452 3.653 20 30 DHEDMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC001171757035 1032856551 /nfs/dbraw/zinc/85/65/51/1032856551.db2.gz QTNZTVHXUWHWJG-DYESRHJHSA-N 1 1 319.452 3.653 20 30 DHEDMO C[C@H]1C[C@@H](N(CCC#N)C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171754248 1032857558 /nfs/dbraw/zinc/85/75/58/1032857558.db2.gz BCCQUGNKRHNZQX-FXAWDEMLSA-N 1 1 311.473 3.808 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)cc1OC ZINC000685475900 1019858785 /nfs/dbraw/zinc/85/87/85/1019858785.db2.gz APJYQJAXFGBAJQ-KRWDZBQOSA-N 1 1 301.430 3.882 20 30 DHEDMO C[C@H](CC#N)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000068608841 1019913486 /nfs/dbraw/zinc/91/34/86/1019913486.db2.gz GWZIWXSJMZJXNA-CABCVRRESA-N 1 1 307.397 3.892 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccc(OCC#N)cc2)C2CC2)cc1 ZINC000264146206 1032861906 /nfs/dbraw/zinc/86/19/06/1032861906.db2.gz PLLIWEUHZZEXQM-UHFFFAOYSA-N 1 1 322.408 3.762 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCCN(c2ccccc2)C1 ZINC000128282119 1019928138 /nfs/dbraw/zinc/92/81/38/1019928138.db2.gz BBLXXQSSZCNQKC-INIZCTEOSA-N 1 1 311.454 3.721 20 30 DHEDMO Clc1cccc(C#CC[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000685604306 1019971645 /nfs/dbraw/zinc/97/16/45/1019971645.db2.gz QKGBYBRYWVBDHV-MSOLQXFVSA-N 1 1 315.844 3.725 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000685604306 1019971650 /nfs/dbraw/zinc/97/16/50/1019971650.db2.gz QKGBYBRYWVBDHV-MSOLQXFVSA-N 1 1 315.844 3.725 20 30 DHEDMO N#Cc1cc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)cs1 ZINC000922300601 1019978151 /nfs/dbraw/zinc/97/81/51/1019978151.db2.gz OXPPKVBQHWFOPC-HNNXBMFYSA-N 1 1 324.808 3.626 20 30 DHEDMO N#Cc1ccc(OCCC[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000730432224 1019987581 /nfs/dbraw/zinc/98/75/81/1019987581.db2.gz AJDMZZGOWPOJTP-QGZVFWFLSA-N 1 1 324.399 3.956 20 30 DHEDMO C=CCC(CC=C)C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000650861770 1019996961 /nfs/dbraw/zinc/99/69/61/1019996961.db2.gz WORXNVRNLSHROF-FQEVSTJZSA-N 1 1 312.457 3.536 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)cc1 ZINC000264176051 1032867870 /nfs/dbraw/zinc/86/78/70/1032867870.db2.gz WWWQEZIINITPPT-HXUWFJFHSA-N 1 1 322.408 3.935 20 30 DHEDMO C[N@@H+](CCc1ccc(Br)cc1)Cc1ccc(C#N)o1 ZINC000093006345 1020126986 /nfs/dbraw/zinc/12/69/86/1020126986.db2.gz LDVBDGWYTXMZHG-UHFFFAOYSA-N 1 1 319.202 3.588 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@]4(CC=CCC4)C3)n2c1 ZINC000093439463 1020151954 /nfs/dbraw/zinc/15/19/54/1020151954.db2.gz FJWAVXMQMLNJQU-LJQANCHMSA-N 1 1 306.413 3.528 20 30 DHEDMO C[C@@H]1CCC[N@H+]1C1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000154955578 1020170279 /nfs/dbraw/zinc/17/02/79/1020170279.db2.gz CPHRZCLBMLKJIH-CYBMUJFWSA-N 1 1 303.837 3.665 20 30 DHEDMO CC#CCC[N@@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428922516 1020185566 /nfs/dbraw/zinc/18/55/66/1020185566.db2.gz CVMATRUUKJKZJR-CJNGLKHVSA-N 1 1 311.347 3.881 20 30 DHEDMO CC#CCC[N@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428922516 1020185571 /nfs/dbraw/zinc/18/55/71/1020185571.db2.gz CVMATRUUKJKZJR-CJNGLKHVSA-N 1 1 311.347 3.881 20 30 DHEDMO C=CC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000732180819 1020205899 /nfs/dbraw/zinc/20/58/99/1020205899.db2.gz CWIUUXMSFMJWAA-UHFFFAOYSA-N 1 1 319.386 3.727 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@@H+](C)Cc2ccc(F)cc2)c1O ZINC000732443114 1020243700 /nfs/dbraw/zinc/24/37/00/1020243700.db2.gz UXTZRRHHTOHRIJ-UHFFFAOYSA-N 1 1 315.388 3.900 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000330906017 1020248249 /nfs/dbraw/zinc/24/82/49/1020248249.db2.gz BFZHHCVIOJXWSV-RHSMWYFYSA-N 1 1 314.429 3.673 20 30 DHEDMO CC(C)[N@@H+](Cc1cnn2ccccc12)Cc1ccc(C#N)cc1 ZINC000179319860 1020252610 /nfs/dbraw/zinc/25/26/10/1020252610.db2.gz GEJQZYSCJREUOR-UHFFFAOYSA-N 1 1 304.397 3.617 20 30 DHEDMO CCCCCCCC[C@H](C)OCCCC[C@@H]([NH3+])C(=O)OC ZINC001217889868 1020260261 /nfs/dbraw/zinc/26/02/61/1020260261.db2.gz DXTZICIMLATGGX-JKSUJKDBSA-N 1 1 301.471 3.813 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000331291705 1020261870 /nfs/dbraw/zinc/26/18/70/1020261870.db2.gz WOSCRJUPANCFIL-PBHICJAKSA-N 1 1 314.429 3.673 20 30 DHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1 ZINC000347761156 1020315430 /nfs/dbraw/zinc/31/54/30/1020315430.db2.gz RMEBTMIXEFABOU-GOSISDBHSA-N 1 1 321.424 3.804 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cscn2)cc1 ZINC000091068112 1020330652 /nfs/dbraw/zinc/33/06/52/1020330652.db2.gz SEUOXDFNMMNTAW-UHFFFAOYSA-N 1 1 305.406 3.972 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000091960380 1020405271 /nfs/dbraw/zinc/40/52/71/1020405271.db2.gz XOFMRZIUVGSPLH-AEFFLSMTSA-N 1 1 311.429 3.531 20 30 DHEDMO C=CCCCCCCCC(=O)N1CCC2(CC[N@H+](C)C2)CC1 ZINC001273089678 1020416683 /nfs/dbraw/zinc/41/66/83/1020416683.db2.gz XKGAKRXZHGTQLE-UHFFFAOYSA-N 1 1 306.494 3.847 20 30 DHEDMO N#Cc1cccc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c1F ZINC000347636938 1020423727 /nfs/dbraw/zinc/42/37/27/1020423727.db2.gz IMDLWTWNYMKVPT-INIZCTEOSA-N 1 1 318.779 3.564 20 30 DHEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)C1 ZINC000364676319 1020485724 /nfs/dbraw/zinc/48/57/24/1020485724.db2.gz NMEYDNRWPHMSOK-AUUYWEPGSA-N 1 1 322.412 3.620 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+]([C@H](C)c2ccc(Cl)cc2)C2CC2)C1=O ZINC000337166258 1032911249 /nfs/dbraw/zinc/91/12/49/1032911249.db2.gz ZHDKJCAOKIWEJW-CXAGYDPISA-N 1 1 318.848 3.652 20 30 DHEDMO Cc1ccc(N=NC2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000734295726 1020581336 /nfs/dbraw/zinc/58/13/36/1020581336.db2.gz IBVBABYPMYSYDA-INIZCTEOSA-N 1 1 308.429 3.842 20 30 DHEDMO Fc1cc(F)c(N=NC2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000734302778 1020582736 /nfs/dbraw/zinc/58/27/36/1020582736.db2.gz ODKMBLPIXBPLLI-UHFFFAOYSA-N 1 1 319.330 3.778 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(Br)c1C)[C@@H](C)COC ZINC001171915339 1032916398 /nfs/dbraw/zinc/91/63/98/1032916398.db2.gz CRQVRMCOCHHSFJ-LBPRGKRZSA-N 1 1 312.251 3.780 20 30 DHEDMO C=CC[C@H](C)[N@@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC001171911855 1032917357 /nfs/dbraw/zinc/91/73/57/1032917357.db2.gz ZIBIWRZFRPLZAZ-WMLDXEAASA-N 1 1 301.430 3.892 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CCSc3c(F)cccc32)CC1 ZINC000177916265 1020600042 /nfs/dbraw/zinc/60/00/42/1020600042.db2.gz GDHYCWDGTJDIFR-QGZVFWFLSA-N 1 1 320.477 3.993 20 30 DHEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000179926760 1020613183 /nfs/dbraw/zinc/61/31/83/1020613183.db2.gz FSVPOMRGYVNZCO-GFCCVEGCSA-N 1 1 314.360 3.565 20 30 DHEDMO COc1ccc(CNc2cc(C)cc[nH+]2)cc1OCCCC#N ZINC000131103710 1032919157 /nfs/dbraw/zinc/91/91/57/1032919157.db2.gz IDAVMGKGHHZFBW-UHFFFAOYSA-N 1 1 311.385 3.693 20 30 DHEDMO CC[N@@H+](CCCCC1(C#N)CCC1)[C@@H](C)C(=O)OC(C)(C)C ZINC001171920355 1032920543 /nfs/dbraw/zinc/92/05/43/1032920543.db2.gz DJSSNOVKXJOBOJ-HNNXBMFYSA-N 1 1 308.466 3.903 20 30 DHEDMO N#CCOc1ccc(C[N@H+](CCc2ccc(F)cc2)C2CC2)cc1 ZINC000735167600 1020700750 /nfs/dbraw/zinc/70/07/50/1020700750.db2.gz AHXNUUQGKMAMRN-UHFFFAOYSA-N 1 1 324.399 3.935 20 30 DHEDMO CC[N@H+](CCC1CC1)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000612829034 1020722162 /nfs/dbraw/zinc/72/21/62/1020722162.db2.gz BURDHGOXDDJCBP-UHFFFAOYSA-N 1 1 308.429 3.674 20 30 DHEDMO CC[N@@H+](CCC1CC1)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000612829034 1020722169 /nfs/dbraw/zinc/72/21/69/1020722169.db2.gz BURDHGOXDDJCBP-UHFFFAOYSA-N 1 1 308.429 3.674 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cccnc2Cl)cc1 ZINC000177715316 1020769228 /nfs/dbraw/zinc/76/92/28/1020769228.db2.gz JQSZWEKJAIBSRD-UHFFFAOYSA-N 1 1 324.733 3.895 20 30 DHEDMO Cc1ccnc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)c1 ZINC000579975466 1020790837 /nfs/dbraw/zinc/79/08/37/1020790837.db2.gz UBGMYLWNRLTJRE-HNNXBMFYSA-N 1 1 311.816 3.905 20 30 DHEDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)c1 ZINC000579975466 1020790846 /nfs/dbraw/zinc/79/08/46/1020790846.db2.gz UBGMYLWNRLTJRE-HNNXBMFYSA-N 1 1 311.816 3.905 20 30 DHEDMO C=C(Cl)CNc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000736298226 1020809309 /nfs/dbraw/zinc/80/93/09/1020809309.db2.gz BJZDJNSBPIBJJK-UHFFFAOYSA-N 1 1 316.792 3.854 20 30 DHEDMO N#CCC1(C[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000337268350 1032932211 /nfs/dbraw/zinc/93/22/11/1032932211.db2.gz XMYYFEOJDGHFHZ-UHFFFAOYSA-N 1 1 315.161 3.511 20 30 DHEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc3cc(C#N)ccc3n2)C1 ZINC000537876610 1032933333 /nfs/dbraw/zinc/93/33/33/1032933333.db2.gz HPELHORXBKJPIE-LJQANCHMSA-N 1 1 314.392 3.705 20 30 DHEDMO C#CCSCCNc1cc[nH+]c2cc(Br)ccc12 ZINC000739898798 1020921012 /nfs/dbraw/zinc/92/10/12/1020921012.db2.gz IXPJSUUWSWAWAJ-UHFFFAOYSA-N 1 1 321.243 3.776 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](Cc2csc(-c3ccc(C)o3)n2)C1 ZINC000829779259 1020915613 /nfs/dbraw/zinc/91/56/13/1020915613.db2.gz PRJOIFCYXRZUJM-AWEZNQCLSA-N 1 1 300.427 3.947 20 30 DHEDMO C=CCCCCC[N@@H+](C)Cn1c2cc(Cl)ccc2oc1=O ZINC000739886288 1020919504 /nfs/dbraw/zinc/91/95/04/1020919504.db2.gz ZSRAXCXZHBRFQT-UHFFFAOYSA-N 1 1 308.809 3.884 20 30 DHEDMO C=CCCCCC[N@H+](C)Cn1c2cc(Cl)ccc2oc1=O ZINC000739886288 1020919505 /nfs/dbraw/zinc/91/95/05/1020919505.db2.gz ZSRAXCXZHBRFQT-UHFFFAOYSA-N 1 1 308.809 3.884 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1ccc(C#N)cc1 ZINC000180139173 1020937951 /nfs/dbraw/zinc/93/79/51/1020937951.db2.gz LGDXCZJTRCZBPO-CQSZACIVSA-N 1 1 320.371 3.734 20 30 DHEDMO CC[N@H+]1CC[C@H](N(C)c2nc(C(C)(C)C)ccc2C#N)C[C@@H]1C ZINC000613425670 1020949924 /nfs/dbraw/zinc/94/99/24/1020949924.db2.gz FKKAAGXFECPQEE-HOCLYGCPSA-N 1 1 314.477 3.560 20 30 DHEDMO CSc1ccccc1NC(=O)CC[N@@H+](CCC#N)CC(C)C ZINC000740878432 1020958707 /nfs/dbraw/zinc/95/87/07/1020958707.db2.gz FJRKFGIKJWAKSY-UHFFFAOYSA-N 1 1 319.474 3.609 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cccc2ccccc21 ZINC000613445794 1020966238 /nfs/dbraw/zinc/96/62/38/1020966238.db2.gz GCXUMIDXVRRYOY-UHFFFAOYSA-N 1 1 310.441 3.696 20 30 DHEDMO CC(C)c1ccc(NC(=S)NN=C2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000741458331 1021008132 /nfs/dbraw/zinc/00/81/32/1021008132.db2.gz TVLOGLREEWUIDP-CYBMUJFWSA-N 1 1 318.490 3.567 20 30 DHEDMO C=CCCCCC[N@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000741795098 1021053395 /nfs/dbraw/zinc/05/33/95/1021053395.db2.gz LRVSHGDMEMXHKE-QGZVFWFLSA-N 1 1 302.418 3.690 20 30 DHEDMO C#CC[N@H+](Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC000741800875 1021057029 /nfs/dbraw/zinc/05/70/29/1021057029.db2.gz DNPZQELHCPAOSK-IBGZPJMESA-N 1 1 307.393 3.654 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC000741800875 1021057033 /nfs/dbraw/zinc/05/70/33/1021057033.db2.gz DNPZQELHCPAOSK-IBGZPJMESA-N 1 1 307.393 3.654 20 30 DHEDMO C[C@@H](CC[NH2+]Cc1ccc(C#N)s1)[N@@H+](C)Cc1ccccc1 ZINC000176981008 1021189682 /nfs/dbraw/zinc/18/96/82/1021189682.db2.gz DOJJKIMNRWMOLA-HNNXBMFYSA-N 1 1 313.470 3.620 20 30 DHEDMO COc1cc(C[N@H+](C)CC#Cc2ccc(Cl)cc2)ccc1O ZINC000177055451 1021197521 /nfs/dbraw/zinc/19/75/21/1021197521.db2.gz LLPNKHGPXDNGDA-UHFFFAOYSA-N 1 1 315.800 3.538 20 30 DHEDMO COc1cc(C[N@@H+](C)CC#Cc2ccc(Cl)cc2)ccc1O ZINC000177055451 1021197528 /nfs/dbraw/zinc/19/75/28/1021197528.db2.gz LLPNKHGPXDNGDA-UHFFFAOYSA-N 1 1 315.800 3.538 20 30 DHEDMO COc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(C(F)(F)F)c1 ZINC001143478706 1021204699 /nfs/dbraw/zinc/20/46/99/1021204699.db2.gz KXUGXFGTBMOZAJ-LBPRGKRZSA-N 1 1 312.335 3.840 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(C(F)(F)F)c1 ZINC001143478706 1021204704 /nfs/dbraw/zinc/20/47/04/1021204704.db2.gz KXUGXFGTBMOZAJ-LBPRGKRZSA-N 1 1 312.335 3.840 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1cccc(F)c1C#N ZINC000301368547 1021207521 /nfs/dbraw/zinc/20/75/21/1021207521.db2.gz RRRYBFNOJPQBHU-INIZCTEOSA-N 1 1 323.415 3.798 20 30 DHEDMO C[C@H]([N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1(C)CC1 ZINC000177247662 1021234975 /nfs/dbraw/zinc/23/49/75/1021234975.db2.gz GOYIJQCBVJYOOA-LBPRGKRZSA-N 1 1 319.836 3.661 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000743260555 1021251098 /nfs/dbraw/zinc/25/10/98/1021251098.db2.gz FBMKSQWRUVPPIR-FQEVSTJZSA-N 1 1 308.425 3.812 20 30 DHEDMO N#Cc1cccc(O[C@@H]2CCC[N@H+](CCCC(F)(F)F)C2)c1 ZINC001202434112 1021268752 /nfs/dbraw/zinc/26/87/52/1021268752.db2.gz ZGNHXHKIYOQPIJ-OAHLLOKOSA-N 1 1 312.335 3.744 20 30 DHEDMO CC(C)(C)OC(=O)C1([NH2+]CC2CCC(C#N)CC2)CCCC1 ZINC000929985354 1021279246 /nfs/dbraw/zinc/27/92/46/1021279246.db2.gz DDJUIUNNHGNMLF-UHFFFAOYSA-N 1 1 306.450 3.560 20 30 DHEDMO N#CCCOCC[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000338917279 1021309885 /nfs/dbraw/zinc/30/98/85/1021309885.db2.gz XBKUXLNURXIQOO-UHFFFAOYSA-N 1 1 312.335 3.600 20 30 DHEDMO N#Cc1cncc(CS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000917867484 1021383702 /nfs/dbraw/zinc/38/37/02/1021383702.db2.gz XJWXTCFZARVIAI-LJQANCHMSA-N 1 1 323.465 3.851 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000181958444 1021404474 /nfs/dbraw/zinc/40/44/74/1021404474.db2.gz JAHJLZDNVZXZHV-UHFFFAOYSA-N 1 1 321.376 3.687 20 30 DHEDMO C=CCN(C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)C(C)C ZINC000918060384 1021434383 /nfs/dbraw/zinc/43/43/83/1021434383.db2.gz KJJUQHLPHAQFSU-INIZCTEOSA-N 1 1 323.868 3.549 20 30 DHEDMO C[N@@H+](Cc1ccc(F)cc1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744123081 1021439078 /nfs/dbraw/zinc/43/90/78/1021439078.db2.gz DGKVHQNUJUIMKC-UHFFFAOYSA-N 1 1 320.371 3.650 20 30 DHEDMO C[N@H+](Cc1ccc(F)cc1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744123081 1021439085 /nfs/dbraw/zinc/43/90/85/1021439085.db2.gz DGKVHQNUJUIMKC-UHFFFAOYSA-N 1 1 320.371 3.650 20 30 DHEDMO CCCCCCC[C@H](C)CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000918134662 1021461833 /nfs/dbraw/zinc/46/18/33/1021461833.db2.gz BNZUGODWCWKCOA-OKZBNKHCSA-N 1 1 323.525 3.909 20 30 DHEDMO C#CC[N@H+](Cc1cn2cc(Cl)ccc2n1)C1CCCCC1 ZINC000744211505 1021468506 /nfs/dbraw/zinc/46/85/06/1021468506.db2.gz USSOUMUPMIJIDH-UHFFFAOYSA-N 1 1 301.821 3.756 20 30 DHEDMO C#CC[N@H+](Cc1cncc(Br)c1)C1CCCCC1 ZINC000744213841 1021470336 /nfs/dbraw/zinc/47/03/36/1021470336.db2.gz NFOXWMBZYDKQFS-UHFFFAOYSA-N 1 1 307.235 3.612 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172084377 1032982338 /nfs/dbraw/zinc/98/23/38/1032982338.db2.gz WWLYMGHWJLMPKR-UVUJQTEASA-N 1 1 322.496 3.917 20 30 DHEDMO C=CC[N@H+](Cc1nnc(-c2ccco2)o1)CC1CCCCC1 ZINC000070015869 1021474971 /nfs/dbraw/zinc/47/49/71/1021474971.db2.gz CWEKIJGKFXQJQS-UHFFFAOYSA-N 1 1 301.390 3.898 20 30 DHEDMO CC[C@@H](CC#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077454 1032982705 /nfs/dbraw/zinc/98/27/05/1032982705.db2.gz SUCLHWDZLDZFMD-HAGHYFMRSA-N 1 1 311.473 3.854 20 30 DHEDMO C#CCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172064465 1032988677 /nfs/dbraw/zinc/98/86/77/1032988677.db2.gz BKLVRPFVKNFJOY-MZADTFQBSA-N 1 1 310.485 3.965 20 30 DHEDMO CC[N@H+](CCOc1ccc(Cl)cc1Cl)C[C@@H](C)C#N ZINC000064248858 1021568606 /nfs/dbraw/zinc/56/86/06/1021568606.db2.gz CMJYPIXURKCKIX-NSHDSACASA-N 1 1 301.217 3.854 20 30 DHEDMO CC[N@@H+](CCOc1ccc(Cl)cc1Cl)C[C@@H](C)C#N ZINC000064248858 1021568617 /nfs/dbraw/zinc/56/86/17/1021568617.db2.gz CMJYPIXURKCKIX-NSHDSACASA-N 1 1 301.217 3.854 20 30 DHEDMO C#CCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172064467 1032989426 /nfs/dbraw/zinc/98/94/26/1032989426.db2.gz BKLVRPFVKNFJOY-WKCHPHFGSA-N 1 1 310.485 3.965 20 30 DHEDMO C=CC[N@H+](C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000154778858 1021592999 /nfs/dbraw/zinc/59/29/99/1021592999.db2.gz DZBODSGGDYDKIN-UHFFFAOYSA-N 1 1 303.837 3.819 20 30 DHEDMO N#Cc1ccc(C[N@H+](CC[C@H](O)c2ccccc2)C2CC2)cc1 ZINC000290258167 1021594204 /nfs/dbraw/zinc/59/42/04/1021594204.db2.gz KKJSWTYWXWNNLS-FQEVSTJZSA-N 1 1 306.409 3.646 20 30 DHEDMO C=CCC1(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC000619108240 1021634738 /nfs/dbraw/zinc/63/47/38/1021634738.db2.gz QSGXXIXTCGNVPJ-MRXNPFEDSA-N 1 1 304.478 3.646 20 30 DHEDMO Cc1oc(NC(=O)C[N@H+](C)C2CCCCCCC2)c(C#N)c1C ZINC000154800620 1021640799 /nfs/dbraw/zinc/64/07/99/1021640799.db2.gz WRVBOEVCTJXBAV-UHFFFAOYSA-N 1 1 317.433 3.751 20 30 DHEDMO CC[C@H](CC#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068101 1032992424 /nfs/dbraw/zinc/99/24/24/1032992424.db2.gz SUCLHWDZLDZFMD-WTGUMLROSA-N 1 1 311.473 3.854 20 30 DHEDMO COCC[N@H+](Cc1cccc(C#N)c1F)[C@@H](C)c1ccccc1 ZINC000538138136 1032992375 /nfs/dbraw/zinc/99/23/75/1032992375.db2.gz CXICBDVHQJGLSK-HNNXBMFYSA-N 1 1 312.388 3.907 20 30 DHEDMO COCC[N@@H+](Cc1cccc(C#N)c1F)[C@@H](C)c1ccccc1 ZINC000538138136 1032992386 /nfs/dbraw/zinc/99/23/86/1032992386.db2.gz CXICBDVHQJGLSK-HNNXBMFYSA-N 1 1 312.388 3.907 20 30 DHEDMO C=C(Cl)C[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000763435212 1021738292 /nfs/dbraw/zinc/73/82/92/1021738292.db2.gz QTORPPUDFUQWKC-CQSZACIVSA-N 1 1 316.228 3.740 20 30 DHEDMO CC[NH+](CC)[C@H](C(=O)O[C@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000851208204 1021781324 /nfs/dbraw/zinc/78/13/24/1021781324.db2.gz PPCJXPICTLGADR-WBVHZDCISA-N 1 1 316.445 3.941 20 30 DHEDMO CCCCCCCCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000745855729 1021795091 /nfs/dbraw/zinc/79/50/91/1021795091.db2.gz YCCVNOKFMBGLQC-SJORKVTESA-N 1 1 311.514 3.861 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000178330958 1021801738 /nfs/dbraw/zinc/80/17/38/1021801738.db2.gz WPKRAHXBWNZFCE-UAOJZALGSA-N 1 1 324.399 3.814 20 30 DHEDMO N#CC1(CCC[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)CCOCC1 ZINC000619620895 1021812340 /nfs/dbraw/zinc/81/23/40/1021812340.db2.gz CZTQUVJXYHVFKM-GOSISDBHSA-N 1 1 314.429 3.630 20 30 DHEDMO COc1cc(C[N@@H+]2CCOc3ccccc3[C@@H]2C)ccc1C#N ZINC000619674386 1021826245 /nfs/dbraw/zinc/82/62/45/1021826245.db2.gz ZOIZIPZKANWBKE-AWEZNQCLSA-N 1 1 308.381 3.522 20 30 DHEDMO COc1cc(C[N@H+]2CCOc3ccccc3[C@@H]2C)ccc1C#N ZINC000619674386 1021826256 /nfs/dbraw/zinc/82/62/56/1021826256.db2.gz ZOIZIPZKANWBKE-AWEZNQCLSA-N 1 1 308.381 3.522 20 30 DHEDMO C=C[C@H](Nc1ccc([N@@H+]2CCCC[C@@H]2C)cc1C)C(=O)OC ZINC000619734846 1021855651 /nfs/dbraw/zinc/85/56/51/1021855651.db2.gz VCDMDCBORPMWDE-HOCLYGCPSA-N 1 1 302.418 3.513 20 30 DHEDMO C=C[C@H](Nc1ccc([N@H+]2CCCC[C@@H]2C)cc1C)C(=O)OC ZINC000619734846 1021855669 /nfs/dbraw/zinc/85/56/69/1021855669.db2.gz VCDMDCBORPMWDE-HOCLYGCPSA-N 1 1 302.418 3.513 20 30 DHEDMO C=C[C@@H](Nc1ccc([N@@H+]2CCCC[C@@H]2C)cc1C)C(=O)OC ZINC000619734845 1021856165 /nfs/dbraw/zinc/85/61/65/1021856165.db2.gz VCDMDCBORPMWDE-GOEBONIOSA-N 1 1 302.418 3.513 20 30 DHEDMO C=C[C@@H](Nc1ccc([N@H+]2CCCC[C@@H]2C)cc1C)C(=O)OC ZINC000619734845 1021856182 /nfs/dbraw/zinc/85/61/82/1021856182.db2.gz VCDMDCBORPMWDE-GOEBONIOSA-N 1 1 302.418 3.513 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1nc2ccccc2n1C ZINC000619754623 1021861469 /nfs/dbraw/zinc/86/14/69/1021861469.db2.gz GCXNQIMLDOHUOT-LBPRGKRZSA-N 1 1 324.815 3.949 20 30 DHEDMO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000195136232 1021923830 /nfs/dbraw/zinc/92/38/30/1021923830.db2.gz ZFPGAUMGNJBIBU-FXAWDEMLSA-N 1 1 319.452 3.731 20 30 DHEDMO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000195136232 1021923842 /nfs/dbraw/zinc/92/38/42/1021923842.db2.gz ZFPGAUMGNJBIBU-FXAWDEMLSA-N 1 1 319.452 3.731 20 30 DHEDMO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000195136232 1021923863 /nfs/dbraw/zinc/92/38/63/1021923863.db2.gz ZFPGAUMGNJBIBU-FXAWDEMLSA-N 1 1 319.452 3.731 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)ccc1OC ZINC000556902458 1021935351 /nfs/dbraw/zinc/93/53/51/1021935351.db2.gz OJAUWVLFGZDKMU-CALCHBBNSA-N 1 1 301.430 3.882 20 30 DHEDMO CC1(C)CCC[C@H]1[N@@H+](CCOCCC#N)Cc1ccccc1 ZINC000339015570 1033019325 /nfs/dbraw/zinc/01/93/25/1033019325.db2.gz ZSALTNRUPMBESP-GOSISDBHSA-N 1 1 300.446 3.998 20 30 DHEDMO CC1(C)CCC[C@@H]1[N@@H+](CCOCCC#N)Cc1ccccc1 ZINC000339015573 1033019959 /nfs/dbraw/zinc/01/99/59/1033019959.db2.gz ZSALTNRUPMBESP-SFHVURJKSA-N 1 1 300.446 3.998 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)cc1 ZINC000851834514 1022016699 /nfs/dbraw/zinc/01/66/99/1022016699.db2.gz SHQJJCPPCRPUFH-LEWJYISDSA-N 1 1 320.436 3.689 20 30 DHEDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000183255429 1022053224 /nfs/dbraw/zinc/05/32/24/1022053224.db2.gz WDZRUGHDTOHMEL-UHFFFAOYSA-N 1 1 321.380 3.940 20 30 DHEDMO C[C@@]12CC[N@@H+](CCc3ccc(C#N)cc3)C[C@@H]1C2(Cl)Cl ZINC000852024238 1022060450 /nfs/dbraw/zinc/06/04/50/1022060450.db2.gz UNWOMFHZPPYZJW-LSDHHAIUSA-N 1 1 309.240 3.616 20 30 DHEDMO COc1cccc(O)c1/C=N/[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000920175600 1022074686 /nfs/dbraw/zinc/07/46/86/1022074686.db2.gz YEPDMMAOOCVUCI-YUHFKEIZSA-N 1 1 324.424 3.655 20 30 DHEDMO C=CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC000776581952 1022100857 /nfs/dbraw/zinc/10/08/57/1022100857.db2.gz JQZVWPXIPKTONP-SFHVURJKSA-N 1 1 318.417 3.697 20 30 DHEDMO CN(C)C(=O)Sc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000852319238 1022105482 /nfs/dbraw/zinc/10/54/82/1022105482.db2.gz IEPIZLBOUAYMLB-AWEZNQCLSA-N 1 1 317.458 3.586 20 30 DHEDMO CCc1ccc(CC[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1 ZINC000852329017 1022107949 /nfs/dbraw/zinc/10/79/49/1022107949.db2.gz RPRRVIOBPOUKER-OAQYLSRUSA-N 1 1 319.452 3.744 20 30 DHEDMO CCc1ccc(CC[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1 ZINC000852329017 1022107958 /nfs/dbraw/zinc/10/79/58/1022107958.db2.gz RPRRVIOBPOUKER-OAQYLSRUSA-N 1 1 319.452 3.744 20 30 DHEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc(-c2cnn(C)c2)s1 ZINC000338945436 1022117507 /nfs/dbraw/zinc/11/75/07/1022117507.db2.gz QPGZEQDDWPSBOE-UHFFFAOYSA-N 1 1 316.474 3.910 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc(-c2cnn(C)c2)s1 ZINC000338945436 1022117514 /nfs/dbraw/zinc/11/75/14/1022117514.db2.gz QPGZEQDDWPSBOE-UHFFFAOYSA-N 1 1 316.474 3.910 20 30 DHEDMO CCCCCCCCC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000766495133 1022127412 /nfs/dbraw/zinc/12/74/12/1022127412.db2.gz YRRYEMCWQCGVDV-UHFFFAOYSA-N 1 1 317.477 3.789 20 30 DHEDMO C[C@H]1C[C@H]([N@@H+](CCC#N)C2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168869051 1022158902 /nfs/dbraw/zinc/15/89/02/1022158902.db2.gz VXONMQBTLJXVKM-HOCLYGCPSA-N 1 1 321.465 3.543 20 30 DHEDMO C#CC[N@@H+](CCCCCn1cccn1)[C@@H]1CCc2ccccc21 ZINC000110789321 1022159840 /nfs/dbraw/zinc/15/98/40/1022159840.db2.gz JPTVUESOVNEVBC-HXUWFJFHSA-N 1 1 307.441 3.676 20 30 DHEDMO Oc1ccccc1/C=N\C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000921261686 1022238945 /nfs/dbraw/zinc/23/89/45/1022238945.db2.gz SNXWWEAMWPDARZ-MKYLKIGJSA-N 1 1 308.425 3.723 20 30 DHEDMO Oc1ccccc1/C=N\C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000921261042 1022239226 /nfs/dbraw/zinc/23/92/26/1022239226.db2.gz LCNLFBGZUCSCRM-BJLUOBIUSA-N 1 1 308.425 3.866 20 30 DHEDMO C[C@H]1CC[N@H+](Cc2cc(C#N)c(F)cc2F)CCC1(F)F ZINC001237526154 1022243744 /nfs/dbraw/zinc/24/37/44/1022243744.db2.gz ZMPRQXQBXFTBJN-JTQLQIEISA-N 1 1 300.299 3.704 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)c(F)cc2F)CCC1(F)F ZINC001237526154 1022243746 /nfs/dbraw/zinc/24/37/46/1022243746.db2.gz ZMPRQXQBXFTBJN-JTQLQIEISA-N 1 1 300.299 3.704 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000159107901 1022263170 /nfs/dbraw/zinc/26/31/70/1022263170.db2.gz DDDPRDBBVGRQIK-ZDUSSCGKSA-N 1 1 301.390 3.533 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000159107901 1022263180 /nfs/dbraw/zinc/26/31/80/1022263180.db2.gz DDDPRDBBVGRQIK-ZDUSSCGKSA-N 1 1 301.390 3.533 20 30 DHEDMO N#Cc1cc(CNC[C@@H](c2ccccc2)[NH+]2CCCC2)cs1 ZINC000921472579 1022264571 /nfs/dbraw/zinc/26/45/71/1022264571.db2.gz KTPIGRNLLHCWFQ-SFHVURJKSA-N 1 1 311.454 3.546 20 30 DHEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(CCC#N)C1CCCCCCC1)C2 ZINC001169141362 1022271443 /nfs/dbraw/zinc/27/14/43/1022271443.db2.gz XEOBZRXFPIPRRN-REPLKXPHSA-N 1 1 303.494 3.940 20 30 DHEDMO CN1[C@@H]2CC[C@H]1C[C@H]([N@H+](CCC#N)C1CCCCCCC1)C2 ZINC001169141362 1022271451 /nfs/dbraw/zinc/27/14/51/1022271451.db2.gz XEOBZRXFPIPRRN-REPLKXPHSA-N 1 1 303.494 3.940 20 30 DHEDMO CN1[C@@H]2CC[C@H]1C[C@H]([N@@H+](CCC#N)C1CCCCCCC1)C2 ZINC001169141362 1022271456 /nfs/dbraw/zinc/27/14/56/1022271456.db2.gz XEOBZRXFPIPRRN-REPLKXPHSA-N 1 1 303.494 3.940 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H]2CCC[C@@H](O)C2)cc1 ZINC001169253385 1022326145 /nfs/dbraw/zinc/32/61/45/1022326145.db2.gz XCHQROSBXXRIQD-IPMKNSEASA-N 1 1 300.446 3.725 20 30 DHEDMO CC[C@H](C)[C@H](C)[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000154975493 1022349390 /nfs/dbraw/zinc/34/93/90/1022349390.db2.gz USLJXPZWXZVQFD-AAEUAGOBSA-N 1 1 317.433 3.606 20 30 DHEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000609916245 1022381402 /nfs/dbraw/zinc/38/14/02/1022381402.db2.gz HSBYPJHGXZQLIF-QAPCUYQASA-N 1 1 324.399 3.954 20 30 DHEDMO C[C@H](C#N)C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000183816993 1022414836 /nfs/dbraw/zinc/41/48/36/1022414836.db2.gz NBCAUROVIMKACC-MRVPVSSYSA-N 1 1 321.140 3.717 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@@H]1CSc3ccccc3C1)CC2 ZINC001172194101 1033055454 /nfs/dbraw/zinc/05/54/54/1033055454.db2.gz AWRLNSHVUZVBTK-SFHVURJKSA-N 1 1 306.434 3.633 20 30 DHEDMO C=CC[N@H+](C)Cc1cc(C)c(I)cc1C ZINC001169494268 1022428549 /nfs/dbraw/zinc/42/85/49/1022428549.db2.gz GRMMZECJWLXOIG-UHFFFAOYSA-N 1 1 315.198 3.526 20 30 DHEDMO C=CCOc1ccc(CNc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000237640336 1022473231 /nfs/dbraw/zinc/47/32/31/1022473231.db2.gz DPXJOJWRIMQFQJ-UHFFFAOYSA-N 1 1 320.396 3.753 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC001169724010 1022518999 /nfs/dbraw/zinc/51/89/99/1022518999.db2.gz KIVGRGAYAODXDP-MRXNPFEDSA-N 1 1 316.445 3.704 20 30 DHEDMO C=CC[N@H+](Cc1nc2ccc(Br)cc2n1C)C(C)C ZINC000776788291 1022575351 /nfs/dbraw/zinc/57/53/51/1022575351.db2.gz MAHRBYPYCQPWKN-UHFFFAOYSA-N 1 1 322.250 3.732 20 30 DHEDMO C=CC[N@@H+](Cc1nc2ccc(Br)cc2n1C)C(C)C ZINC000776788291 1022575358 /nfs/dbraw/zinc/57/53/58/1022575358.db2.gz MAHRBYPYCQPWKN-UHFFFAOYSA-N 1 1 322.250 3.732 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766944354 1022614372 /nfs/dbraw/zinc/61/43/72/1022614372.db2.gz DUUKFGAJJDXDCK-QZTJIDSGSA-N 1 1 307.482 3.669 20 30 DHEDMO C[C@H](NCC#Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310205329 1022620297 /nfs/dbraw/zinc/62/02/97/1022620297.db2.gz CSMDFEPETLPJTK-UGKGYDQZSA-N 1 1 318.464 3.538 20 30 DHEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000767018775 1022624792 /nfs/dbraw/zinc/62/47/92/1022624792.db2.gz SPNWPTWBWFSPHH-ROUUACIJSA-N 1 1 316.445 3.614 20 30 DHEDMO C=CCC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000767034486 1022628981 /nfs/dbraw/zinc/62/89/81/1022628981.db2.gz IOHWBBXITBURMZ-UHFFFAOYSA-N 1 1 304.434 3.589 20 30 DHEDMO Cc1cccc([C@@H](O)C[N@H+](Cc2ccccc2)CC2(C#N)CC2)c1 ZINC000767119854 1022647203 /nfs/dbraw/zinc/64/72/03/1022647203.db2.gz QVQRCOOBRHZSDH-FQEVSTJZSA-N 1 1 320.436 3.834 20 30 DHEDMO Cc1cccc([C@@H](O)C[N@@H+](Cc2ccccc2)CC2(C#N)CC2)c1 ZINC000767119854 1022647208 /nfs/dbraw/zinc/64/72/08/1022647208.db2.gz QVQRCOOBRHZSDH-FQEVSTJZSA-N 1 1 320.436 3.834 20 30 DHEDMO N#Cc1cccc(N[NH+]=Cc2ccc(N3CCCCC3)cc2)c1 ZINC000767336518 1022688265 /nfs/dbraw/zinc/68/82/65/1022688265.db2.gz PVFNIBGWOQRPHA-UHFFFAOYSA-N 1 1 304.397 3.995 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cccc(F)c1F ZINC001172312881 1033081061 /nfs/dbraw/zinc/08/10/61/1033081061.db2.gz LLDIBTHQKSYMCO-ZDUSSCGKSA-N 1 1 300.352 3.899 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H]2CCCCC)c1=S ZINC000767764619 1022802248 /nfs/dbraw/zinc/80/22/48/1022802248.db2.gz ZAKVAJNPTTZCKL-HNNXBMFYSA-N 1 1 308.495 3.911 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H]2CCCCC)c1=S ZINC000767764619 1022802261 /nfs/dbraw/zinc/80/22/61/1022802261.db2.gz ZAKVAJNPTTZCKL-HNNXBMFYSA-N 1 1 308.495 3.911 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cnc(Cl)s1 ZINC001172314306 1033081696 /nfs/dbraw/zinc/08/16/96/1033081696.db2.gz INEHHHYDWNTECM-NSHDSACASA-N 1 1 305.834 3.731 20 30 DHEDMO CC[C@H](C)c1nc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000617097573 1022844651 /nfs/dbraw/zinc/84/46/51/1022844651.db2.gz LZQRARQEVIKURL-DCGLDWPTSA-N 1 1 323.444 3.918 20 30 DHEDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)[nH]1 ZINC000617097573 1022844667 /nfs/dbraw/zinc/84/46/67/1022844667.db2.gz LZQRARQEVIKURL-DCGLDWPTSA-N 1 1 323.444 3.918 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC001172317440 1033085705 /nfs/dbraw/zinc/08/57/05/1033085705.db2.gz RKAJQSHSXFSUEB-ZDUSSCGKSA-N 1 1 312.363 3.826 20 30 DHEDMO C[C@@H](NCC(C)(C)[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000538507554 1033087713 /nfs/dbraw/zinc/08/77/13/1033087713.db2.gz MUZCZVUGMUOGBM-LSDHHAIUSA-N 1 1 317.452 3.858 20 30 DHEDMO C[C@@H]([NH2+]CC(C)(C)N1CCC[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000538507554 1033087727 /nfs/dbraw/zinc/08/77/27/1033087727.db2.gz MUZCZVUGMUOGBM-LSDHHAIUSA-N 1 1 317.452 3.858 20 30 DHEDMO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000538510694 1033090886 /nfs/dbraw/zinc/09/08/86/1033090886.db2.gz DKDARDXSGSEJTH-JKSUJKDBSA-N 1 1 317.452 3.716 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000768353934 1022949630 /nfs/dbraw/zinc/94/96/30/1022949630.db2.gz CMFFNZRQVKEKRT-DNVCBOLYSA-N 1 1 307.397 3.710 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1C#N ZINC000859164202 1033089402 /nfs/dbraw/zinc/08/94/02/1033089402.db2.gz WJINFHPKGPWMNM-MSOLQXFVSA-N 1 1 310.397 3.548 20 30 DHEDMO N#CC1(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CCC1 ZINC000418139680 1022973769 /nfs/dbraw/zinc/97/37/69/1022973769.db2.gz IGHZNUCGBUKOBZ-ZDUSSCGKSA-N 1 1 323.209 3.859 20 30 DHEDMO CC[N@H+](c1ccc(NC[C@@H](O)CC(C)(C)C#N)cc1)C(C)C ZINC000857238272 1022976059 /nfs/dbraw/zinc/97/60/59/1022976059.db2.gz JSJCHZVZKIRXGJ-KRWDZBQOSA-N 1 1 303.450 3.634 20 30 DHEDMO Cn1cc(C[NH2+]CC2(C#N)CCC2)c(-c2ccccc2Cl)n1 ZINC000418143102 1022976368 /nfs/dbraw/zinc/97/63/68/1022976368.db2.gz OTXWVLHIWYGZQA-UHFFFAOYSA-N 1 1 314.820 3.524 20 30 DHEDMO C=CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)C ZINC000768552755 1022987658 /nfs/dbraw/zinc/98/76/58/1022987658.db2.gz YZFAZNWGQKMOPF-UHFFFAOYSA-N 1 1 300.305 3.593 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(Cl)c2Cl)no1 ZINC001212325099 1023000037 /nfs/dbraw/zinc/00/00/37/1023000037.db2.gz HUIFFOSEZOAWGE-NSHDSACASA-N 1 1 310.184 3.847 20 30 DHEDMO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000695865961 1023037634 /nfs/dbraw/zinc/03/76/34/1023037634.db2.gz VYGQEWQEKJGIMD-YLJYHZDGSA-N 1 1 313.489 3.817 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](CCN(C)C)c1ccccc1 ZINC001172296160 1033101751 /nfs/dbraw/zinc/10/17/51/1033101751.db2.gz XQWPYHYGGVNMHR-DYESRHJHSA-N 1 1 321.468 3.772 20 30 DHEDMO CC[N@@H+](CCc1ccccn1)Cc1cccc(OCCCC#N)c1 ZINC000769035253 1023073383 /nfs/dbraw/zinc/07/33/83/1023073383.db2.gz WRBMLJCUKFJYHN-UHFFFAOYSA-N 1 1 323.440 3.829 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1F)Cc1c(O)cccc1OC ZINC000769013466 1023078795 /nfs/dbraw/zinc/07/87/95/1023078795.db2.gz NYGFZMQNMJSTHD-UHFFFAOYSA-N 1 1 301.361 3.728 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1F)Cc1c(O)cccc1OC ZINC000769013466 1023078810 /nfs/dbraw/zinc/07/88/10/1023078810.db2.gz NYGFZMQNMJSTHD-UHFFFAOYSA-N 1 1 301.361 3.728 20 30 DHEDMO C#CCOc1ccccc1C[N@H+](CC=C)Cc1cccc(C#N)c1 ZINC000769108071 1023085747 /nfs/dbraw/zinc/08/57/47/1023085747.db2.gz XWIBHOQABQFCHQ-UHFFFAOYSA-N 1 1 316.404 3.758 20 30 DHEDMO C#CCOc1ccccc1C[N@@H+](CC=C)Cc1cccc(C#N)c1 ZINC000769108071 1023085751 /nfs/dbraw/zinc/08/57/51/1023085751.db2.gz XWIBHOQABQFCHQ-UHFFFAOYSA-N 1 1 316.404 3.758 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000769317531 1023121597 /nfs/dbraw/zinc/12/15/97/1023121597.db2.gz SBVSZVKONCBPNO-NRFANRHFSA-N 1 1 321.420 3.662 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1CC[C@H]1Sc2ccccc2NC1=O ZINC000660429757 1023174762 /nfs/dbraw/zinc/17/47/62/1023174762.db2.gz PCEZEEFMFKGCDD-CZUORRHYSA-N 1 1 302.443 3.530 20 30 DHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H]1CC[C@H](C)[C@H](C)C1)CCO2 ZINC001172377329 1033112574 /nfs/dbraw/zinc/11/25/74/1033112574.db2.gz LZLOUTZKWGHVIY-OMQSBVIBSA-N 1 1 321.505 3.885 20 30 DHEDMO N#CC(CC[N@H+]1CC[C@H]2C[C@H]21)(c1ccccc1)c1ccccc1 ZINC000769772189 1023204983 /nfs/dbraw/zinc/20/49/83/1023204983.db2.gz UXZOSXAKKQXIEL-FXAWDEMLSA-N 1 1 302.421 3.981 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000769846911 1023226543 /nfs/dbraw/zinc/22/65/43/1023226543.db2.gz RGMBAOVBYBPULD-COPLHBTASA-N 1 1 316.792 3.733 20 30 DHEDMO C=CC[C@H]1[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1(C)C ZINC000769954494 1023245142 /nfs/dbraw/zinc/24/51/42/1023245142.db2.gz UBHPVNDIQLRLID-DLBZAZTESA-N 1 1 318.417 3.695 20 30 DHEDMO C#C[C@@H](C)[N@H+](C)Cc1cccc(Br)c1OC(F)F ZINC000769961263 1023246063 /nfs/dbraw/zinc/24/60/63/1023246063.db2.gz JOAWOKHVPIVNFM-SECBINFHSA-N 1 1 318.161 3.504 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1OC(F)F ZINC000769961263 1023246070 /nfs/dbraw/zinc/24/60/70/1023246070.db2.gz JOAWOKHVPIVNFM-SECBINFHSA-N 1 1 318.161 3.504 20 30 DHEDMO C[C@H](c1ccncc1)[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000769926124 1023248128 /nfs/dbraw/zinc/24/81/28/1023248128.db2.gz MEIPOJSXZVDANH-CYBMUJFWSA-N 1 1 315.804 3.830 20 30 DHEDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000769926124 1023248135 /nfs/dbraw/zinc/24/81/35/1023248135.db2.gz MEIPOJSXZVDANH-CYBMUJFWSA-N 1 1 315.804 3.830 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000876738431 1033130522 /nfs/dbraw/zinc/13/05/22/1033130522.db2.gz DKLOIAUBQLOMMQ-OAGGEKHMSA-N 1 1 323.481 3.551 20 30 DHEDMO N#CCCn1cc(C(=O)C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c2ccccc21 ZINC000660929734 1023437663 /nfs/dbraw/zinc/43/76/63/1023437663.db2.gz YMYDCISSUBXOJU-YJBOKZPZSA-N 1 1 321.424 3.612 20 30 DHEDMO N#CCCn1cc(C(=O)C[N@H+]2C[C@@H]3CCCC[C@@H]32)c2ccccc21 ZINC000660929734 1023437668 /nfs/dbraw/zinc/43/76/68/1023437668.db2.gz YMYDCISSUBXOJU-YJBOKZPZSA-N 1 1 321.424 3.612 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660927512 1023441114 /nfs/dbraw/zinc/44/11/14/1023441114.db2.gz CMIFOWFSDUDVNG-HOCLYGCPSA-N 1 1 316.470 3.778 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660927512 1023441118 /nfs/dbraw/zinc/44/11/18/1023441118.db2.gz CMIFOWFSDUDVNG-HOCLYGCPSA-N 1 1 316.470 3.778 20 30 DHEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@H](c2nccn2C)c2ccccc2F)C1 ZINC000651673670 1023448805 /nfs/dbraw/zinc/44/88/05/1023448805.db2.gz SMYMQVAQARFAHY-VKJFTORMSA-N 1 1 313.420 3.983 20 30 DHEDMO C#CC[N@@H+](Cc1ccc2c(c1)COC2)[C@H]1CCc2ccccc21 ZINC000772600705 1023578468 /nfs/dbraw/zinc/57/84/68/1023578468.db2.gz XEAJGSRMMUGEMX-NRFANRHFSA-N 1 1 303.405 3.840 20 30 DHEDMO C=CC[C@H]1CC[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000859446090 1033142940 /nfs/dbraw/zinc/14/29/40/1033142940.db2.gz ZAIDVMOFVHCMIS-AWEZNQCLSA-N 1 1 309.409 3.680 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000661379027 1023583559 /nfs/dbraw/zinc/58/35/59/1023583559.db2.gz QVXZCVTVVGZODK-SJORKVTESA-N 1 1 300.446 3.919 20 30 DHEDMO C=CCCCCC[N@H+](Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000785615320 1023598188 /nfs/dbraw/zinc/59/81/88/1023598188.db2.gz OLJJQKZCXVJNBL-UHFFFAOYSA-N 1 1 300.446 3.757 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000785617071 1023599614 /nfs/dbraw/zinc/59/96/14/1023599614.db2.gz INGMAMWYDJDWEE-OAHLLOKOSA-N 1 1 316.763 3.833 20 30 DHEDMO C=CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000538729972 1033153431 /nfs/dbraw/zinc/15/34/31/1033153431.db2.gz RWQZTENDCSCDHH-UHFFFAOYSA-N 1 1 312.316 3.594 20 30 DHEDMO CC(=NOCc1cccnc1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000746587238 1023695687 /nfs/dbraw/zinc/69/56/87/1023695687.db2.gz KGSHQAIEOCBPMS-UHFFFAOYSA-N 1 1 306.369 3.517 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCCCC2=NOCc2cccnc2)C1 ZINC000746588152 1023696643 /nfs/dbraw/zinc/69/66/43/1023696643.db2.gz KWEYFEUZLFPKQI-FCEWJHQRSA-N 1 1 315.461 3.875 20 30 DHEDMO C=C(Br)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000746657061 1023767000 /nfs/dbraw/zinc/76/70/00/1023767000.db2.gz DDHPABNGEYRQDY-UHFFFAOYSA-N 1 1 307.235 3.925 20 30 DHEDMO C=C(Br)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000746657061 1023767010 /nfs/dbraw/zinc/76/70/10/1023767010.db2.gz DDHPABNGEYRQDY-UHFFFAOYSA-N 1 1 307.235 3.925 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@]4(CCSC4)C3)cc2)CC1 ZINC000597145518 1023771367 /nfs/dbraw/zinc/77/13/67/1023771367.db2.gz ZZRNAHFBFVLCFI-SFHVURJKSA-N 1 1 312.482 3.961 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2(C)C)cc1 ZINC000787420319 1023790987 /nfs/dbraw/zinc/79/09/87/1023790987.db2.gz GSWRAAXKXDWJON-OAHLLOKOSA-N 1 1 311.347 3.861 20 30 DHEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccccc2CF)CC1 ZINC001167784658 1023805405 /nfs/dbraw/zinc/80/54/05/1023805405.db2.gz JYDFGBBIBKJFSH-FQEVSTJZSA-N 1 1 323.415 3.539 20 30 DHEDMO O=C1CCCC12CC[NH+](CC#Cc1cccc(Cl)c1)CC2 ZINC000661958954 1023824197 /nfs/dbraw/zinc/82/41/97/1023824197.db2.gz MLROISJKXKNALE-UHFFFAOYSA-N 1 1 301.817 3.527 20 30 DHEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000787996889 1023836781 /nfs/dbraw/zinc/83/67/81/1023836781.db2.gz BGEWGUXEAAWHGF-UHFFFAOYSA-N 1 1 322.408 3.761 20 30 DHEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000787996889 1023836788 /nfs/dbraw/zinc/83/67/88/1023836788.db2.gz BGEWGUXEAAWHGF-UHFFFAOYSA-N 1 1 322.408 3.761 20 30 DHEDMO Cc1[nH+]c(N)ccc1CNc1ccc(-c2ccc(C#N)o2)cc1 ZINC001167786695 1023876733 /nfs/dbraw/zinc/87/67/33/1023876733.db2.gz VQUGQNXBBJVNMV-UHFFFAOYSA-N 1 1 304.353 3.716 20 30 DHEDMO Cc1[nH+]c(N)ccc1CNc1cc(C(F)(F)F)ccc1CC#N ZINC001167786622 1023877723 /nfs/dbraw/zinc/87/77/23/1023877723.db2.gz HGLFTYKJVMHBHI-UHFFFAOYSA-N 1 1 320.318 3.669 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000662081623 1023887392 /nfs/dbraw/zinc/88/73/92/1023887392.db2.gz WLEWFDDLDIRHEG-XYPHTWIQSA-N 1 1 318.848 3.528 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000662081034 1023889396 /nfs/dbraw/zinc/88/93/96/1023889396.db2.gz SFVGOFQPZZOKKE-BGYRXZFFSA-N 1 1 324.468 3.996 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](C3CC3)C2)ccc1OC ZINC000538751673 1033171529 /nfs/dbraw/zinc/17/15/29/1033171529.db2.gz GUMULULPOPXLBS-KRWDZBQOSA-N 1 1 301.430 3.882 20 30 DHEDMO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000093872382 1023940899 /nfs/dbraw/zinc/94/08/99/1023940899.db2.gz GAZZKGISLVSINO-ZWKOTPCHSA-N 1 1 322.456 3.979 20 30 DHEDMO CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000093872382 1023940904 /nfs/dbraw/zinc/94/09/04/1023940904.db2.gz GAZZKGISLVSINO-ZWKOTPCHSA-N 1 1 322.456 3.979 20 30 DHEDMO COc1c2ccccc2oc1C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000788970770 1023956006 /nfs/dbraw/zinc/95/60/06/1023956006.db2.gz VPOKQIHGVOYFBE-UHFFFAOYSA-N 1 1 322.364 3.611 20 30 DHEDMO C[N@H+]1CC[C@@H](c2ccc(NCc3ccc(C#N)c(F)c3)cc2)C1 ZINC001170096451 1023979984 /nfs/dbraw/zinc/97/99/84/1023979984.db2.gz UOPXZEMUECZJNT-QGZVFWFLSA-N 1 1 309.388 3.729 20 30 DHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@H](CC)CC(C)C)C2 ZINC001172394955 1033179013 /nfs/dbraw/zinc/17/90/13/1033179013.db2.gz AMENKYAAIAFXGT-IEBWSBKVSA-N 1 1 306.494 3.844 20 30 DHEDMO CCC[C@@H](C)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000266913307 1024046647 /nfs/dbraw/zinc/04/66/47/1024046647.db2.gz MDYHRNITGDIMAB-OAHLLOKOSA-N 1 1 311.429 3.858 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc3ccccc3c2)n1 ZINC000789326064 1024049090 /nfs/dbraw/zinc/04/90/90/1024049090.db2.gz MFPNVMGORZCKEO-UHFFFAOYSA-N 1 1 303.409 3.692 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc3ccccc3c2)n1 ZINC000789326064 1024049105 /nfs/dbraw/zinc/04/91/05/1024049105.db2.gz MFPNVMGORZCKEO-UHFFFAOYSA-N 1 1 303.409 3.692 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCCc3ccc(F)cc32)n1 ZINC000789330078 1024049810 /nfs/dbraw/zinc/04/98/10/1024049810.db2.gz WKEFSRZBOYCRHV-IBGZPJMESA-N 1 1 311.404 3.555 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)[C@H]2CCCc3ccc(F)cc32)n1 ZINC000789330078 1024049824 /nfs/dbraw/zinc/04/98/24/1024049824.db2.gz WKEFSRZBOYCRHV-IBGZPJMESA-N 1 1 311.404 3.555 20 30 DHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1 ZINC000267946134 1024061261 /nfs/dbraw/zinc/06/12/61/1024061261.db2.gz AXOJTOVUKQCKDC-QGZVFWFLSA-N 1 1 315.461 3.587 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000268584860 1024129237 /nfs/dbraw/zinc/12/92/37/1024129237.db2.gz DILOANXBAFNPOY-RTBURBONSA-N 1 1 310.372 3.568 20 30 DHEDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268582979 1024130114 /nfs/dbraw/zinc/13/01/14/1024130114.db2.gz CXQDWPMNTMIMKL-XIKOKIGWSA-N 1 1 316.351 3.563 20 30 DHEDMO Cc1ccccc1[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268572281 1024130760 /nfs/dbraw/zinc/13/07/60/1024130760.db2.gz AYQIKPKFTUTRJX-UXHICEINSA-N 1 1 306.409 3.737 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268682612 1024141300 /nfs/dbraw/zinc/14/13/00/1024141300.db2.gz OQJFOKNDGBQCLK-QRWLVFNGSA-N 1 1 306.409 3.817 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H](C)c2cccc(Cl)c2)n1 ZINC000789759836 1024159347 /nfs/dbraw/zinc/15/93/47/1024159347.db2.gz ZDIVEPDBVKQRCL-OAHLLOKOSA-N 1 1 315.848 3.795 20 30 DHEDMO Cc1cccnc1N=NC1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000790187034 1024238571 /nfs/dbraw/zinc/23/85/71/1024238571.db2.gz SLRLMCUVTZBMGJ-OAHLLOKOSA-N 1 1 308.429 3.700 20 30 DHEDMO COc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000538824022 1033202260 /nfs/dbraw/zinc/20/22/60/1033202260.db2.gz YZDAEROBVPCLCX-UHFFFAOYSA-N 1 1 304.393 3.856 20 30 DHEDMO C[C@H](CCCC#N)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001172486131 1033198573 /nfs/dbraw/zinc/19/85/73/1033198573.db2.gz ZDDCGTDNLCZVGW-AFYVEPGGSA-N 1 1 311.473 3.854 20 30 DHEDMO CC[C@H]1CCC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)CC1 ZINC000131210753 1024285524 /nfs/dbraw/zinc/28/55/24/1024285524.db2.gz PMRAZFNDGLHTNW-INIZCTEOSA-N 1 1 323.444 3.595 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000269641661 1024298697 /nfs/dbraw/zinc/29/86/97/1024298697.db2.gz JYYUWCDQMQCXOX-UXHICEINSA-N 1 1 324.399 3.785 20 30 DHEDMO C=CCC[C@@H](COc1ccccc1)[NH2+][C@@H](C)c1csnn1 ZINC000883229152 1024304471 /nfs/dbraw/zinc/30/44/71/1024304471.db2.gz BWXKATKKNFMCGW-KBPBESRZSA-N 1 1 303.431 3.603 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cnccc2C#N)C1 ZINC000094136692 1024316069 /nfs/dbraw/zinc/31/60/69/1024316069.db2.gz MJEAWIXPRIXIOT-INIZCTEOSA-N 1 1 320.440 3.797 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cnccc1C#N ZINC000094136700 1024318883 /nfs/dbraw/zinc/31/88/83/1024318883.db2.gz JIGNPHXFEHHXLZ-INIZCTEOSA-N 1 1 320.440 3.940 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000876999078 1033202190 /nfs/dbraw/zinc/20/21/90/1033202190.db2.gz RGLNJAFUPZMKRF-HNNXBMFYSA-N 1 1 313.788 3.610 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[C@@H](C)C1)[C@@H]2CC ZINC001170139436 1024322742 /nfs/dbraw/zinc/32/27/42/1024322742.db2.gz UXPBNHUCWRSOHH-MTNOOBJLSA-N 1 1 304.478 3.597 20 30 DHEDMO N#CCCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453106324 1024333782 /nfs/dbraw/zinc/33/37/82/1024333782.db2.gz IQUXIXKJWDCGKQ-XUVXKRRUSA-N 1 1 311.473 3.713 20 30 DHEDMO CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000105423449 1024370520 /nfs/dbraw/zinc/37/05/20/1024370520.db2.gz GJHFLOMFVLRVBW-OAHLLOKOSA-N 1 1 319.836 3.805 20 30 DHEDMO C[N@H+]1CCC[C@@H](CNc2cnccc2C#N)[C@@H]1c1cccs1 ZINC000094166544 1024372989 /nfs/dbraw/zinc/37/29/89/1024372989.db2.gz YTMVIJZDIXOQHV-WMLDXEAASA-N 1 1 312.442 3.510 20 30 DHEDMO CC[C@H]1CCCC[N@H+]1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172991494 1033502357 /nfs/dbraw/zinc/50/23/57/1033502357.db2.gz YUVYJJDRGTUJHW-JYJNAYRXSA-N 1 1 321.465 3.543 20 30 DHEDMO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000883391071 1024424292 /nfs/dbraw/zinc/42/42/92/1024424292.db2.gz BGHVVODDHUSZJZ-VHSXEESVSA-N 1 1 304.217 3.677 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCc3ccsc3C2)c(O)c(OC)c1 ZINC000132637655 1024491769 /nfs/dbraw/zinc/49/17/69/1024491769.db2.gz ZQGUEPNSBCNBGK-UHFFFAOYSA-N 1 1 315.438 3.749 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1F)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000453378226 1024496940 /nfs/dbraw/zinc/49/69/40/1024496940.db2.gz VVQOQNKVHOWHPY-DYVFJYSZSA-N 1 1 304.434 3.977 20 30 DHEDMO CC[C@H]1CCCC[N@H+]1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172991495 1033503281 /nfs/dbraw/zinc/50/32/81/1033503281.db2.gz YUVYJJDRGTUJHW-XHSDSOJGSA-N 1 1 321.465 3.543 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000274324745 1024568255 /nfs/dbraw/zinc/56/82/55/1024568255.db2.gz HNBZHVPJRWKUNO-INIZCTEOSA-N 1 1 302.462 3.745 20 30 DHEDMO C[C@@H]1CCC[N@@H+](CCCCNc2ncc(C#N)cc2Cl)C1 ZINC000339137351 1024573132 /nfs/dbraw/zinc/57/31/32/1024573132.db2.gz RHIGUOIWUGTJLJ-CYBMUJFWSA-N 1 1 306.841 3.531 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001172496368 1033225700 /nfs/dbraw/zinc/22/57/00/1033225700.db2.gz ZTTOZILQVNQTGT-LMMKCTJWSA-N 1 1 313.445 3.645 20 30 DHEDMO CN(CCO)c1ccc(C=[NH+]Nc2cccc3ccccc32)cc1 ZINC000747060268 1024652510 /nfs/dbraw/zinc/65/25/10/1024652510.db2.gz NQNWVHCDSQTPNL-UHFFFAOYSA-N 1 1 319.408 3.714 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@]2(CCCN2Cc2ccccc2)C1 ZINC001172497581 1033228281 /nfs/dbraw/zinc/22/82/81/1033228281.db2.gz DAKLBQOPBNTCKC-QUCCMNQESA-N 1 1 311.473 3.809 20 30 DHEDMO C[C@H](CCCC#N)N1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC001172497581 1033228291 /nfs/dbraw/zinc/22/82/91/1033228291.db2.gz DAKLBQOPBNTCKC-QUCCMNQESA-N 1 1 311.473 3.809 20 30 DHEDMO C[C@H](CCCC#N)N1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)C1 ZINC001172497581 1033228297 /nfs/dbraw/zinc/22/82/97/1033228297.db2.gz DAKLBQOPBNTCKC-QUCCMNQESA-N 1 1 311.473 3.809 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCc2c(Br)cccc2C1 ZINC001172499577 1033228315 /nfs/dbraw/zinc/22/83/15/1033228315.db2.gz FAZOQVUXOJBFOS-GFCCVEGCSA-N 1 1 307.235 3.890 20 30 DHEDMO C[C@H](CCCC#N)N1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172498292 1033228404 /nfs/dbraw/zinc/22/84/04/1033228404.db2.gz LCNPGHAYNINKEI-RLLQIKCJSA-N 1 1 311.473 3.523 20 30 DHEDMO C[C@H](CCCC#N)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172498292 1033228416 /nfs/dbraw/zinc/22/84/16/1033228416.db2.gz LCNPGHAYNINKEI-RLLQIKCJSA-N 1 1 311.473 3.523 20 30 DHEDMO C#CCOCC[N@@H+](C)Cc1nc(-c2ccccc2Cl)cs1 ZINC001342948183 1024685795 /nfs/dbraw/zinc/68/57/95/1024685795.db2.gz ACXCELKNQNRFBH-UHFFFAOYSA-N 1 1 320.845 3.545 20 30 DHEDMO C#CCOCC[N@H+](C)Cc1nc(-c2ccccc2Cl)cs1 ZINC001342948183 1024685804 /nfs/dbraw/zinc/68/58/04/1024685804.db2.gz ACXCELKNQNRFBH-UHFFFAOYSA-N 1 1 320.845 3.545 20 30 DHEDMO C=CC[N@H+](CCCc1nc(-c2ccc(C)c(F)c2)no1)C1CC1 ZINC000538953356 1033229188 /nfs/dbraw/zinc/22/91/88/1033229188.db2.gz DPRLGUNVTIVYQH-UHFFFAOYSA-N 1 1 315.392 3.767 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000349365531 1024709564 /nfs/dbraw/zinc/70/95/64/1024709564.db2.gz HDBMATGHMQOWTB-MRXNPFEDSA-N 1 1 302.466 3.998 20 30 DHEDMO C=C(CC)C[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000349365531 1024709575 /nfs/dbraw/zinc/70/95/75/1024709575.db2.gz HDBMATGHMQOWTB-MRXNPFEDSA-N 1 1 302.466 3.998 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000349365531 1024709585 /nfs/dbraw/zinc/70/95/85/1024709585.db2.gz HDBMATGHMQOWTB-MRXNPFEDSA-N 1 1 302.466 3.998 20 30 DHEDMO CC[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(OC)c(OC)c1 ZINC000349578110 1024729133 /nfs/dbraw/zinc/72/91/33/1024729133.db2.gz PGWDWHPTUWRAPH-UHFFFAOYSA-N 1 1 316.426 3.659 20 30 DHEDMO CC[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC001170281185 1024733649 /nfs/dbraw/zinc/73/36/49/1024733649.db2.gz XBSNCSAJUWLJHI-QWHCGFSZSA-N 1 1 319.836 3.661 20 30 DHEDMO CCCCCCCC[C@H](CC)[NH2+]C1(C(=O)OC)CCOCC1 ZINC001172503597 1033232562 /nfs/dbraw/zinc/23/25/62/1033232562.db2.gz SGFHOFRBLHLTAF-INIZCTEOSA-N 1 1 313.482 3.827 20 30 DHEDMO CC(C)c1nc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)no1 ZINC001170359775 1024752688 /nfs/dbraw/zinc/75/26/88/1024752688.db2.gz FSRQTFBAJFGIIG-UHFFFAOYSA-N 1 1 324.428 3.687 20 30 DHEDMO C#C[C@H](CC)[NH2+][C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000792640743 1024754632 /nfs/dbraw/zinc/75/46/32/1024754632.db2.gz DOCIRSQMDKBRLZ-IEBWSBKVSA-N 1 1 306.409 3.676 20 30 DHEDMO C=CC[N@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC001170351199 1024758944 /nfs/dbraw/zinc/75/89/44/1024758944.db2.gz AXGSQMLADHMVSD-CYBMUJFWSA-N 1 1 306.406 3.821 20 30 DHEDMO CC(C)[C@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC001170394795 1024761528 /nfs/dbraw/zinc/76/15/28/1024761528.db2.gz AOYGURYOKKYZET-IOJLRTSASA-N 1 1 312.457 3.747 20 30 DHEDMO CC[N@@H+](CCn1cccn1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395481 1024764161 /nfs/dbraw/zinc/76/41/61/1024764161.db2.gz MHESOWBUGREHLG-UHFFFAOYSA-N 1 1 322.456 3.609 20 30 DHEDMO CO[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)[C@@H](C)C1 ZINC001170406393 1024771286 /nfs/dbraw/zinc/77/12/86/1024771286.db2.gz YEWNWCRSPUGCCW-OXHPOLQJSA-N 1 1 312.457 3.890 20 30 DHEDMO CO[C@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)[C@H](C)C1 ZINC001170406392 1024771675 /nfs/dbraw/zinc/77/16/75/1024771675.db2.gz YEWNWCRSPUGCCW-OTBHMBEGSA-N 1 1 312.457 3.890 20 30 DHEDMO CC(C)[N@@H+]([C@@H](C)CCCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001172508064 1033239032 /nfs/dbraw/zinc/23/90/32/1033239032.db2.gz BBALRQHIDJXFHF-HOTGVXAUSA-N 1 1 323.481 3.789 20 30 DHEDMO C[C@H](CCCC#N)[NH+]1CC(Oc2cccc(C(F)(F)F)c2)C1 ZINC001172507235 1033234641 /nfs/dbraw/zinc/23/46/41/1033234641.db2.gz QZQZJKFXGJMQFI-GFCCVEGCSA-N 1 1 312.335 3.851 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)c(OCc2cccnc2)c1)C1CC1 ZINC000350272576 1024802084 /nfs/dbraw/zinc/80/20/84/1024802084.db2.gz XVYFHIQNAFXTIE-UHFFFAOYSA-N 1 1 324.424 3.820 20 30 DHEDMO C[N@@H+](CCOCc1ccccc1)Cc1cc(Cl)cc(C#N)c1 ZINC001168176721 1024824326 /nfs/dbraw/zinc/82/43/26/1024824326.db2.gz YBPXDWMULIETEN-UHFFFAOYSA-N 1 1 314.816 3.860 20 30 DHEDMO C#CCCCCCCCCC(=O)N1CCC2(CC[N@H+](C)C2)CC1 ZINC001274795083 1024867212 /nfs/dbraw/zinc/86/72/12/1024867212.db2.gz CBFFLZVEZMVCDE-UHFFFAOYSA-N 1 1 318.505 3.685 20 30 DHEDMO C=C(C)CN1c2ccccc2[C@]2(CC[N@H+](C[C@@H](C)CC)C2)C1=O ZINC001275070259 1024902685 /nfs/dbraw/zinc/90/26/85/1024902685.db2.gz XQEUWSYHSJSODK-OXJNMPFZSA-N 1 1 312.457 3.599 20 30 DHEDMO CC(=NN[C@H](C)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793115299 1024903042 /nfs/dbraw/zinc/90/30/42/1024903042.db2.gz LZBWLIRAKZEVSG-SJLPKXTDSA-N 1 1 301.478 3.909 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@@H](CC)CCCC ZINC001275082295 1024906362 /nfs/dbraw/zinc/90/63/62/1024906362.db2.gz MJQYHISQCNMGMM-HKUYNNGSSA-N 1 1 306.494 3.846 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@@]2(CC(=O)N([C@H](C)CC)C2=O)C1 ZINC001275112016 1024919121 /nfs/dbraw/zinc/91/91/21/1024919121.db2.gz WHRUWBYTGOLRTE-VQIMIIECSA-N 1 1 322.493 3.596 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@]2(CCN(CC(F)F)C2=O)C1 ZINC001275115125 1024921116 /nfs/dbraw/zinc/92/11/16/1024921116.db2.gz TZHSROULKFTZIY-KRWDZBQOSA-N 1 1 316.436 3.536 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051262265 1024938405 /nfs/dbraw/zinc/93/84/05/1024938405.db2.gz RQPLRPKVDTUDFV-UHFFFAOYSA-N 1 1 318.398 3.853 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051262265 1024938416 /nfs/dbraw/zinc/93/84/16/1024938416.db2.gz RQPLRPKVDTUDFV-UHFFFAOYSA-N 1 1 318.398 3.853 20 30 DHEDMO CCC[N@@H+](Cc1cn2cc(C)ccc2n1)Cc1ccc(C#N)cc1 ZINC000051855247 1025058682 /nfs/dbraw/zinc/05/86/82/1025058682.db2.gz JWPXEMMTRUCFOL-UHFFFAOYSA-N 1 1 318.424 3.927 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2SC)cc1C#N ZINC000348326049 1025112305 /nfs/dbraw/zinc/11/23/05/1025112305.db2.gz RSMGWIMJBDYZGO-UHFFFAOYSA-N 1 1 312.438 3.921 20 30 DHEDMO Cc1cc([NH+](C)C)cc(C)c1NCc1cnc2ccc(C#N)cn12 ZINC000793586565 1025117444 /nfs/dbraw/zinc/11/74/44/1025117444.db2.gz JCYWGXUGPFNJCN-UHFFFAOYSA-N 1 1 319.412 3.501 20 30 DHEDMO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000893699228 1025139149 /nfs/dbraw/zinc/13/91/49/1025139149.db2.gz IIJVIHRPPSTEDD-RYUDHWBXSA-N 1 1 316.380 3.855 20 30 DHEDMO C[NH+](C)C[C@@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000353598928 1025144685 /nfs/dbraw/zinc/14/46/85/1025144685.db2.gz VIJMYASAKKDOMI-VQTJNVASSA-N 1 1 323.415 3.577 20 30 DHEDMO CCC[NH+]1CCC(N(C)Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135212939 1033265659 /nfs/dbraw/zinc/26/56/59/1033265659.db2.gz DUTMXTTXXFOHIU-UHFFFAOYSA-N 1 1 313.489 3.794 20 30 DHEDMO CCCN1CCC([N@H+](C)Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135212939 1033265668 /nfs/dbraw/zinc/26/56/68/1033265668.db2.gz DUTMXTTXXFOHIU-UHFFFAOYSA-N 1 1 313.489 3.794 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](CSC)C2)c(O)c(OC)c1 ZINC000793796365 1025166926 /nfs/dbraw/zinc/16/69/26/1025166926.db2.gz KMSBNJVTCUXWFH-OAHLLOKOSA-N 1 1 321.486 3.704 20 30 DHEDMO CCCN1CCC([N@@H+](C)Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135212939 1033265680 /nfs/dbraw/zinc/26/56/80/1033265680.db2.gz DUTMXTTXXFOHIU-UHFFFAOYSA-N 1 1 313.489 3.794 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000353748268 1025228383 /nfs/dbraw/zinc/22/83/83/1025228383.db2.gz HEOXJVUZPQZFDT-IBGZPJMESA-N 1 1 301.430 3.644 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000052866148 1025237105 /nfs/dbraw/zinc/23/71/05/1025237105.db2.gz YFFSEMVYNGQADV-LJQANCHMSA-N 1 1 324.399 3.879 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000052866148 1025237114 /nfs/dbraw/zinc/23/71/14/1025237114.db2.gz YFFSEMVYNGQADV-LJQANCHMSA-N 1 1 324.399 3.879 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccccc1SC ZINC000348331700 1025241878 /nfs/dbraw/zinc/24/18/78/1025241878.db2.gz RJXLAMITTWMCMN-UHFFFAOYSA-N 1 1 312.438 3.921 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccccc1SC ZINC000348331700 1025241890 /nfs/dbraw/zinc/24/18/90/1025241890.db2.gz RJXLAMITTWMCMN-UHFFFAOYSA-N 1 1 312.438 3.921 20 30 DHEDMO C[C@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC001168202050 1025266137 /nfs/dbraw/zinc/26/61/37/1025266137.db2.gz QEKKCBKKBSIYTB-UONOGXRCSA-N 1 1 311.347 3.915 20 30 DHEDMO C=CCCCCC[N@@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000353879111 1025276776 /nfs/dbraw/zinc/27/67/76/1025276776.db2.gz FMFQIPCAZAFUFU-UHFFFAOYSA-N 1 1 302.447 3.778 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1csc(-c2ncccn2)n1 ZINC000353879111 1025276785 /nfs/dbraw/zinc/27/67/85/1025276785.db2.gz FMFQIPCAZAFUFU-UHFFFAOYSA-N 1 1 302.447 3.778 20 30 DHEDMO C#C[C@@](C)(CC)[NH2+]Cc1nc(-c2c(F)cccc2F)cs1 ZINC001170450664 1025292726 /nfs/dbraw/zinc/29/27/26/1025292726.db2.gz DBUUYKRORYZIGV-INIZCTEOSA-N 1 1 306.381 3.980 20 30 DHEDMO C=C(CC)C[N@H+](CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000539095672 1033275159 /nfs/dbraw/zinc/27/51/59/1033275159.db2.gz JWDGKCVBMMMBLU-UHFFFAOYSA-N 1 1 314.351 3.721 20 30 DHEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000053230124 1025343286 /nfs/dbraw/zinc/34/32/86/1025343286.db2.gz FQKSPDMRXPUOLW-HXUWFJFHSA-N 1 1 306.409 3.739 20 30 DHEDMO O=C1C=C2C[N@@H+]([C@H]3CCC[C@@H](c4ccccc4)C3)CCC2S1 ZINC001172541679 1033275790 /nfs/dbraw/zinc/27/57/90/1033275790.db2.gz RCJFSZNJVUGKQR-NJAFHUGGSA-N 1 1 313.466 3.987 20 30 DHEDMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001170457195 1025360507 /nfs/dbraw/zinc/36/05/07/1025360507.db2.gz YFHZZGMPXCCFHP-GOSISDBHSA-N 1 1 322.408 3.740 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000015301005 1025372854 /nfs/dbraw/zinc/37/28/54/1025372854.db2.gz UOPJPSIMYAOJCN-GOSISDBHSA-N 1 1 320.392 3.667 20 30 DHEDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885927370 1025408201 /nfs/dbraw/zinc/40/82/01/1025408201.db2.gz QUPCGVWZZGICGL-ZBFHGGJFSA-N 1 1 312.413 3.870 20 30 DHEDMO C[N@@H+](CCSc1nc(Cl)c(C#N)s1)Cc1ccccc1 ZINC000804673616 1025427232 /nfs/dbraw/zinc/42/72/32/1025427232.db2.gz JBSXKKKTQYMVQK-UHFFFAOYSA-N 1 1 323.874 3.892 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC000886032981 1025444642 /nfs/dbraw/zinc/44/46/42/1025444642.db2.gz QCHJZAMBXACOSN-JKSUJKDBSA-N 1 1 304.821 3.532 20 30 DHEDMO C=CCOCC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000354544081 1025452545 /nfs/dbraw/zinc/45/25/45/1025452545.db2.gz QRNXNMMVVRFBGQ-UHFFFAOYSA-N 1 1 316.445 3.592 20 30 DHEDMO Cc1csc([C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000237704524 1025464121 /nfs/dbraw/zinc/46/41/21/1025464121.db2.gz ADYZLKPPSDJGQW-STQMWFEESA-N 1 1 301.415 3.593 20 30 DHEDMO C=C(CCC(=O)N1CC2(CC[N@H+]2C2CCCC2)C1)c1ccccc1 ZINC001275351348 1025481591 /nfs/dbraw/zinc/48/15/91/1025481591.db2.gz OPNKCCSBTGVJSA-UHFFFAOYSA-N 1 1 324.468 3.709 20 30 DHEDMO CC1(C)CC[N@@H+](CCCOc2cccc(C#N)c2)CCS1 ZINC000228088732 1025487337 /nfs/dbraw/zinc/48/73/37/1025487337.db2.gz NRGHWVGMSLQGJN-UHFFFAOYSA-N 1 1 304.459 3.545 20 30 DHEDMO Cc1cccc(C2=CC[N@@H+](C[C@@H](O)CC3(C#N)CCC3)CC2)c1 ZINC000886102355 1025506239 /nfs/dbraw/zinc/50/62/39/1025506239.db2.gz FOLJCGGAOPJXCJ-IBGZPJMESA-N 1 1 310.441 3.529 20 30 DHEDMO C[C@H](CC[N@@H+](C)Cc1cccc(C#N)c1)OCc1ccccc1 ZINC000354860294 1025525598 /nfs/dbraw/zinc/52/55/98/1025525598.db2.gz FCUKADPYOQDCAC-QGZVFWFLSA-N 1 1 308.425 3.985 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CCC1 ZINC000886201594 1025558592 /nfs/dbraw/zinc/55/85/92/1025558592.db2.gz JQKZFODVRVKMRV-VNTMZGSJSA-N 1 1 324.468 3.699 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)CCC1 ZINC000886266002 1025574907 /nfs/dbraw/zinc/57/49/07/1025574907.db2.gz WYTGMWVBGBPUEO-OALUTQOASA-N 1 1 322.452 3.825 20 30 DHEDMO CC[N@@H+](CCC1CC1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000355053799 1025594449 /nfs/dbraw/zinc/59/44/49/1025594449.db2.gz BFDSHGPLVNJHRE-LBPRGKRZSA-N 1 1 319.836 3.661 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](C(C)C)C2)cc1OCCCC#N ZINC000355078433 1025598132 /nfs/dbraw/zinc/59/81/32/1025598132.db2.gz ICAQVGJFRPBMQZ-QGZVFWFLSA-N 1 1 316.445 3.856 20 30 DHEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000886359324 1025602446 /nfs/dbraw/zinc/60/24/46/1025602446.db2.gz ARFQHAPSQQDMJK-HOTGVXAUSA-N 1 1 309.413 3.760 20 30 DHEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000886355277 1025602644 /nfs/dbraw/zinc/60/26/44/1025602644.db2.gz FVEDYSIEOVCLIR-CHWSQXEVSA-N 1 1 315.804 3.796 20 30 DHEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000886358462 1025604080 /nfs/dbraw/zinc/60/40/80/1025604080.db2.gz VFQZFJVJATUIIP-OLZOCXBDSA-N 1 1 315.804 3.796 20 30 DHEDMO COc1cc(C)cc(C[N@H+](C)Cc2ccc(C#N)cc2)c1OC ZINC000893930933 1025606837 /nfs/dbraw/zinc/60/68/37/1025606837.db2.gz JPBCAUZUOOFUQJ-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO COc1cc(C)cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1OC ZINC000893930933 1025606846 /nfs/dbraw/zinc/60/68/46/1025606846.db2.gz JPBCAUZUOOFUQJ-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO CC[N@@H+](Cc1ccc2[nH]c(=O)[nH]c2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000893952269 1025621201 /nfs/dbraw/zinc/62/12/01/1025621201.db2.gz OKZMSDJVAJFPAK-ZDUSSCGKSA-N 1 1 320.396 3.723 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc2onc(C)c2c1 ZINC000893951264 1025621466 /nfs/dbraw/zinc/62/14/66/1025621466.db2.gz GGUGHDWHBAGNQU-UHFFFAOYSA-N 1 1 320.396 3.815 20 30 DHEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000805746590 1025667765 /nfs/dbraw/zinc/66/77/65/1025667765.db2.gz BSGWXHMJOSNUEJ-IBGZPJMESA-N 1 1 307.397 3.559 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805792755 1025672420 /nfs/dbraw/zinc/67/24/20/1025672420.db2.gz DBGVQWMPTRJNQR-GOSISDBHSA-N 1 1 308.466 3.676 20 30 DHEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000805835439 1025679023 /nfs/dbraw/zinc/67/90/23/1025679023.db2.gz MTNLRNSZVKYMQB-OALUTQOASA-N 1 1 324.424 3.683 20 30 DHEDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000805839773 1025679075 /nfs/dbraw/zinc/67/90/75/1025679075.db2.gz SHCLZHGUDQGUBW-OLMNPRSZSA-N 1 1 300.446 3.738 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cn1nccc1-c1ccncc1 ZINC000067094200 1025736509 /nfs/dbraw/zinc/73/65/09/1025736509.db2.gz QRXSXKBWERCWHE-UHFFFAOYSA-N 1 1 304.397 3.591 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)Cn1nccc1-c1ccncc1 ZINC000067094200 1025736525 /nfs/dbraw/zinc/73/65/25/1025736525.db2.gz QRXSXKBWERCWHE-UHFFFAOYSA-N 1 1 304.397 3.591 20 30 DHEDMO C=CCCC[C@H](COc1ccccc1)[NH2+][C@H](C)c1csnn1 ZINC000886627343 1025748735 /nfs/dbraw/zinc/74/87/35/1025748735.db2.gz ZMQWSPZRVHVTIK-HUUCEWRRSA-N 1 1 317.458 3.993 20 30 DHEDMO COc1ccccc1[C@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000565168135 1025787023 /nfs/dbraw/zinc/78/70/23/1025787023.db2.gz BMHYHWDXZLKMJP-HNAYVOBHSA-N 1 1 321.424 3.935 20 30 DHEDMO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171304 1025799871 /nfs/dbraw/zinc/79/98/71/1025799871.db2.gz IXVIGBAPGVWFKD-UHFFFAOYSA-N 1 1 316.445 3.651 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000614171599 1025803076 /nfs/dbraw/zinc/80/30/76/1025803076.db2.gz STDBGDXBBBMCJQ-GOSISDBHSA-N 1 1 310.397 3.654 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000614171599 1025803093 /nfs/dbraw/zinc/80/30/93/1025803093.db2.gz STDBGDXBBBMCJQ-GOSISDBHSA-N 1 1 310.397 3.654 20 30 DHEDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176152 1025810638 /nfs/dbraw/zinc/81/06/38/1025810638.db2.gz MIXRTYZYSIASOL-SFHVURJKSA-N 1 1 322.456 3.731 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000135176631 1025831713 /nfs/dbraw/zinc/83/17/13/1025831713.db2.gz FCZIWWUASGFCEU-KRWDZBQOSA-N 1 1 308.429 3.521 20 30 DHEDMO CCCCCCCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000886731686 1025843357 /nfs/dbraw/zinc/84/33/57/1025843357.db2.gz LKMSAFLLESVNKX-SFHVURJKSA-N 1 1 302.462 3.862 20 30 DHEDMO CCCCCCCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000886731686 1025843375 /nfs/dbraw/zinc/84/33/75/1025843375.db2.gz LKMSAFLLESVNKX-SFHVURJKSA-N 1 1 302.462 3.862 20 30 DHEDMO Cc1cc(C[N@@H+](C)CCCC#N)cc(C)c1OCC(F)(F)F ZINC000054396027 1025855924 /nfs/dbraw/zinc/85/59/24/1025855924.db2.gz CTMPDYGBBGBYJN-UHFFFAOYSA-N 1 1 314.351 3.980 20 30 DHEDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2OC)c1 ZINC000120469366 1025892927 /nfs/dbraw/zinc/89/29/27/1025892927.db2.gz RHSDVIHUZHQDLR-IBGZPJMESA-N 1 1 322.408 3.913 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c(C(F)(F)F)c1 ZINC000886816216 1025939920 /nfs/dbraw/zinc/93/99/20/1025939920.db2.gz PIOJQKTTYNDKNM-HOCLYGCPSA-N 1 1 324.346 3.578 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c(C(F)(F)F)c1 ZINC000356108364 1025947571 /nfs/dbraw/zinc/94/75/71/1025947571.db2.gz IOGZLHHESOYJMV-GOEBONIOSA-N 1 1 324.346 3.578 20 30 DHEDMO C[C@H]1SCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1C ZINC000356132715 1025961506 /nfs/dbraw/zinc/96/15/06/1025961506.db2.gz VYFDHEPGNRACRP-GHMZBOCLSA-N 1 1 314.376 3.903 20 30 DHEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1C ZINC000356132715 1025961518 /nfs/dbraw/zinc/96/15/18/1025961518.db2.gz VYFDHEPGNRACRP-GHMZBOCLSA-N 1 1 314.376 3.903 20 30 DHEDMO N#CCC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)CC1CC1 ZINC000081044514 1025975489 /nfs/dbraw/zinc/97/54/89/1025975489.db2.gz WRVKSDCJMMRAEN-UHFFFAOYSA-N 1 1 312.335 3.753 20 30 DHEDMO N#CCC[N@H+](Cc1ccc(OCC(F)(F)F)cc1)CC1CC1 ZINC000081044514 1025975505 /nfs/dbraw/zinc/97/55/05/1025975505.db2.gz WRVKSDCJMMRAEN-UHFFFAOYSA-N 1 1 312.335 3.753 20 30 DHEDMO COc1ccc(C[N@H+](Cc2nc(C#N)cs2)C(C)(C)C)cc1 ZINC000356332802 1026024824 /nfs/dbraw/zinc/02/48/24/1026024824.db2.gz GJBDMQIXTDMVOW-UHFFFAOYSA-N 1 1 315.442 3.824 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2nc(C#N)cs2)C(C)(C)C)cc1 ZINC000356332802 1026024842 /nfs/dbraw/zinc/02/48/42/1026024842.db2.gz GJBDMQIXTDMVOW-UHFFFAOYSA-N 1 1 315.442 3.824 20 30 DHEDMO COc1cc2c(cc1O)CC[N@@H+](CCC1(C#N)CCCCC1)C2 ZINC000887108566 1026088541 /nfs/dbraw/zinc/08/85/41/1026088541.db2.gz NBKXGPOICZKHPR-UHFFFAOYSA-N 1 1 314.429 3.623 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C2(CC2)C1 ZINC001137639062 1026122166 /nfs/dbraw/zinc/12/21/66/1026122166.db2.gz IVFLJNUWFCUGKB-NSHDSACASA-N 1 1 305.219 3.695 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(OC3CCC3)CC2)c(Cl)c1 ZINC000419297245 1026111762 /nfs/dbraw/zinc/11/17/62/1026111762.db2.gz FJDRHBZJEGEWQJ-UHFFFAOYSA-N 1 1 304.821 3.745 20 30 DHEDMO N#CCSCCC[N@@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419306606 1026121258 /nfs/dbraw/zinc/12/12/58/1026121258.db2.gz YHQSMLOAYAWMCA-OAHLLOKOSA-N 1 1 310.413 3.619 20 30 DHEDMO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419330638 1026173624 /nfs/dbraw/zinc/17/36/24/1026173624.db2.gz IBYXDMAPOLVHKU-ZIAGYGMSSA-N 1 1 319.474 3.705 20 30 DHEDMO N#Cc1csc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000120551710 1026229839 /nfs/dbraw/zinc/22/98/39/1026229839.db2.gz AGFYOKPKJMZHPL-CQSZACIVSA-N 1 1 318.467 3.862 20 30 DHEDMO N#Cc1csc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000120551710 1026229849 /nfs/dbraw/zinc/22/98/49/1026229849.db2.gz AGFYOKPKJMZHPL-CQSZACIVSA-N 1 1 318.467 3.862 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000614402911 1026296698 /nfs/dbraw/zinc/29/66/98/1026296698.db2.gz YTRXNEIXILPSRE-OAQYLSRUSA-N 1 1 322.452 3.886 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N(C)C)C1 ZINC001279870277 1026518237 /nfs/dbraw/zinc/51/82/37/1026518237.db2.gz AJDSCMLQNOQAML-MJGOQNOKSA-N 1 1 308.510 3.927 20 30 DHEDMO C#Cc1ccc(C[NH2+]Cc2ccc(F)cc2Br)cc1 ZINC000809608901 1026563043 /nfs/dbraw/zinc/56/30/43/1026563043.db2.gz XSVMKDFRGWWSRP-UHFFFAOYSA-N 1 1 318.189 3.859 20 30 DHEDMO C#C[C@@H](C)[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl ZINC000809683423 1026591615 /nfs/dbraw/zinc/59/16/15/1026591615.db2.gz CTEYHQXOUWGCKF-LLVKDONJSA-N 1 1 322.239 3.658 20 30 DHEDMO C#C[C@H](C)[NH2+]Cc1c(Cl)n(-c2ccccc2)nc1C(C)C ZINC000809683512 1026591936 /nfs/dbraw/zinc/59/19/36/1026591936.db2.gz FPCQHCXFRGAXNB-ZDUSSCGKSA-N 1 1 301.821 3.760 20 30 DHEDMO C#C[C@@H](C)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000809683920 1026592695 /nfs/dbraw/zinc/59/26/95/1026592695.db2.gz KZADYVZGRVLSGE-SNVBAGLBSA-N 1 1 310.344 3.940 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000809729331 1026595594 /nfs/dbraw/zinc/59/55/94/1026595594.db2.gz SKEIZLVTDRGMRN-HNAYVOBHSA-N 1 1 307.397 3.710 20 30 DHEDMO C#Cc1ccc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000809768708 1026606236 /nfs/dbraw/zinc/60/62/36/1026606236.db2.gz UPILMSGFAQRYCL-RBUKOAKNSA-N 1 1 323.461 3.669 20 30 DHEDMO Cc1ccc(N(C)[C@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)cc1 ZINC000809757743 1026617640 /nfs/dbraw/zinc/61/76/40/1026617640.db2.gz VZLGSAKFJVUHHH-KRWDZBQOSA-N 1 1 309.413 3.561 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)CCC1(F)F ZINC000810046479 1026668068 /nfs/dbraw/zinc/66/80/68/1026668068.db2.gz UEBWJWYXHAMRGZ-LLVKDONJSA-N 1 1 314.763 3.719 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)CCC1(F)F ZINC000810046479 1026668072 /nfs/dbraw/zinc/66/80/72/1026668072.db2.gz UEBWJWYXHAMRGZ-LLVKDONJSA-N 1 1 314.763 3.719 20 30 DHEDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000280636806 1026685930 /nfs/dbraw/zinc/68/59/30/1026685930.db2.gz XWSNDUOCZMNMHR-MRXNPFEDSA-N 1 1 324.428 3.866 20 30 DHEDMO N#Cc1csc(C[NH2+][C@@H](c2cccnc2)C2CCCCC2)n1 ZINC000810142365 1026688572 /nfs/dbraw/zinc/68/85/72/1026688572.db2.gz XXGVGYITHLSUOC-QGZVFWFLSA-N 1 1 312.442 3.821 20 30 DHEDMO C[C@@H](OC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000749354078 1026700590 /nfs/dbraw/zinc/70/05/90/1026700590.db2.gz WYRHVBLWNKVPIJ-RDTXWAMCSA-N 1 1 312.413 3.569 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1N1CCCC1 ZINC000015573712 1026704229 /nfs/dbraw/zinc/70/42/29/1026704229.db2.gz VJRJGQVLWHPGOC-UHFFFAOYSA-N 1 1 305.425 3.790 20 30 DHEDMO Cn1cc(Cl)c(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000420960285 1026893435 /nfs/dbraw/zinc/89/34/35/1026893435.db2.gz GKYJXIWHHPDSSS-HNNXBMFYSA-N 1 1 302.809 3.598 20 30 DHEDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C#N)s1 ZINC000421362301 1026964672 /nfs/dbraw/zinc/96/46/72/1026964672.db2.gz NCPXAQGFGNAIET-STQMWFEESA-N 1 1 320.458 3.562 20 30 DHEDMO C#C[C@H]([NH2+]Cc1cnc2ccc(C)cn12)c1ccc(Cl)cc1 ZINC000811517328 1027017615 /nfs/dbraw/zinc/01/76/15/1027017615.db2.gz OMFZJANNAQBOKA-KRWDZBQOSA-N 1 1 309.800 3.760 20 30 DHEDMO C#CCCOc1ccc(C[N@H+](CC)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000811511799 1027026425 /nfs/dbraw/zinc/02/64/25/1027026425.db2.gz UYZKJMXSXIJZEY-GOSISDBHSA-N 1 1 315.457 3.868 20 30 DHEDMO C#CCCCCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931388003 1027107727 /nfs/dbraw/zinc/10/77/27/1027107727.db2.gz OAUJLBRINQQOCV-IBGZPJMESA-N 1 1 311.404 3.690 20 30 DHEDMO C#CCCCCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931388003 1027107731 /nfs/dbraw/zinc/10/77/31/1027107731.db2.gz OAUJLBRINQQOCV-IBGZPJMESA-N 1 1 311.404 3.690 20 30 DHEDMO COCC[N@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CC=CCC1 ZINC000362244959 1027111601 /nfs/dbraw/zinc/11/16/01/1027111601.db2.gz OXEVICYCBBXDGV-OAHLLOKOSA-N 1 1 302.393 3.502 20 30 DHEDMO C[C@H](C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)CO)c1ccccc1 ZINC000561910223 1027118943 /nfs/dbraw/zinc/11/89/43/1027118943.db2.gz OXGCUQLQCGGIJF-SJORKVTESA-N 1 1 308.425 3.545 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)c1 ZINC000362337831 1027154593 /nfs/dbraw/zinc/15/45/93/1027154593.db2.gz YWDKALVURAWFCG-IBGZPJMESA-N 1 1 311.429 3.630 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)s1 ZINC000362388589 1027179339 /nfs/dbraw/zinc/17/93/39/1027179339.db2.gz HBESCZQFYKRYJC-MSOLQXFVSA-N 1 1 312.438 3.708 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC[C@H](C(F)(F)F)O1 ZINC000931615398 1027189613 /nfs/dbraw/zinc/18/96/13/1027189613.db2.gz AOHPSXBLAWIRJD-ZIAGYGMSSA-N 1 1 318.383 3.892 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)ccc1C#N ZINC000562047683 1027198698 /nfs/dbraw/zinc/19/86/98/1027198698.db2.gz YZHHMRJQTNXRJI-NRFANRHFSA-N 1 1 318.420 3.836 20 30 DHEDMO C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000572626171 1027218153 /nfs/dbraw/zinc/21/81/53/1027218153.db2.gz RWBCWTMGZQSBTC-BEFAXECRSA-N 1 1 311.473 3.646 20 30 DHEDMO C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000572626171 1027218160 /nfs/dbraw/zinc/21/81/60/1027218160.db2.gz RWBCWTMGZQSBTC-BEFAXECRSA-N 1 1 311.473 3.646 20 30 DHEDMO CCSCC[C@H](C)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000362456758 1027220474 /nfs/dbraw/zinc/22/04/74/1027220474.db2.gz XEXXCOIHYIEYKZ-AWEZNQCLSA-N 1 1 301.459 3.774 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000572980680 1027249578 /nfs/dbraw/zinc/24/95/78/1027249578.db2.gz IMEBQZAOSCRLMS-FZMZJTMJSA-N 1 1 305.834 3.910 20 30 DHEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2C#N)C1 ZINC000573395554 1027288018 /nfs/dbraw/zinc/28/80/18/1027288018.db2.gz QWQVVTPALIVTAQ-NHYWBVRUSA-N 1 1 307.235 3.941 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931913896 1027304953 /nfs/dbraw/zinc/30/49/53/1027304953.db2.gz QCARXDMMJNKBPR-FZMZJTMJSA-N 1 1 312.310 3.986 20 30 DHEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCCC[C@H]2c2ccccc2)c1 ZINC000562246955 1027324792 /nfs/dbraw/zinc/32/47/92/1027324792.db2.gz RYJUFKUUNSJGOQ-IBGZPJMESA-N 1 1 319.408 3.724 20 30 DHEDMO Cc1nccn1CCCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000362722541 1027359198 /nfs/dbraw/zinc/35/91/98/1027359198.db2.gz FEYVNZXZBCGLAI-WOJBJXKFSA-N 1 1 322.456 3.744 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000574126754 1027365760 /nfs/dbraw/zinc/36/57/60/1027365760.db2.gz DKLZXGFCGNWLDQ-ZWKOTPCHSA-N 1 1 301.430 3.641 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](C)C[C@@H](C)C1)c1ccccc1 ZINC000932126177 1027371733 /nfs/dbraw/zinc/37/17/33/1027371733.db2.gz HTCIRIPVDYWOMW-MBOZVWFJSA-N 1 1 312.457 3.795 20 30 DHEDMO C=CCCC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001133431442 1027378917 /nfs/dbraw/zinc/37/89/17/1027378917.db2.gz HMDJFLKPUXBIEJ-UHFFFAOYSA-N 1 1 314.473 3.904 20 30 DHEDMO C[C@@H]1SCC[N@H+](Cc2ccc(C#N)cn2)[C@H]1c1ccccc1 ZINC000562371983 1027396211 /nfs/dbraw/zinc/39/62/11/1027396211.db2.gz RHTZJDBXWRGJQD-KBXCAEBGSA-N 1 1 309.438 3.632 20 30 DHEDMO C[C@@H]1SCC[N@@H+](Cc2ccc(C#N)cn2)[C@H]1c1ccccc1 ZINC000562371983 1027396228 /nfs/dbraw/zinc/39/62/28/1027396228.db2.gz RHTZJDBXWRGJQD-KBXCAEBGSA-N 1 1 309.438 3.632 20 30 DHEDMO C=CCSc1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000362817440 1027399244 /nfs/dbraw/zinc/39/92/44/1027399244.db2.gz LJXQTOKAUVDMAW-LSDHHAIUSA-N 1 1 318.486 3.519 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932198072 1027409818 /nfs/dbraw/zinc/40/98/18/1027409818.db2.gz IEIDVKFYHOCZSF-CYBMUJFWSA-N 1 1 315.417 3.609 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932198072 1027409821 /nfs/dbraw/zinc/40/98/21/1027409821.db2.gz IEIDVKFYHOCZSF-CYBMUJFWSA-N 1 1 315.417 3.609 20 30 DHEDMO Cc1nsc(Nc2cccc(CC[N@H+](C)C3CC3)c2)c1C#N ZINC000574718116 1027419490 /nfs/dbraw/zinc/41/94/90/1027419490.db2.gz KEQFQVFAPGOEAA-UHFFFAOYSA-N 1 1 312.442 3.704 20 30 DHEDMO C#CCCOc1ccc(C[NH2+][C@H](C#C)c2ccc(F)cc2)cc1 ZINC000812793327 1027423047 /nfs/dbraw/zinc/42/30/47/1027423047.db2.gz UBRLDZKEXJVTSY-HXUWFJFHSA-N 1 1 307.368 3.692 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000362956950 1027464883 /nfs/dbraw/zinc/46/48/83/1027464883.db2.gz GEBASLZUJWPISI-HXUWFJFHSA-N 1 1 312.457 3.880 20 30 DHEDMO CC(C)C[N@H+](Cc1ccccn1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000932448490 1027499723 /nfs/dbraw/zinc/49/97/23/1027499723.db2.gz RNWYZZBMARJXMT-UHFFFAOYSA-N 1 1 324.384 3.520 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccccn1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000932448490 1027499729 /nfs/dbraw/zinc/49/97/29/1027499729.db2.gz RNWYZZBMARJXMT-UHFFFAOYSA-N 1 1 324.384 3.520 20 30 DHEDMO CCC[N@@H+](Cc1c(C)nc2ccccn21)Cc1ccc(C#N)cc1 ZINC000158498466 1027551583 /nfs/dbraw/zinc/55/15/83/1027551583.db2.gz LNCBVRNPRMTYMV-UHFFFAOYSA-N 1 1 318.424 3.927 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1 ZINC000576080089 1027557612 /nfs/dbraw/zinc/55/76/12/1027557612.db2.gz NDZVZOKMFYOFJR-QZTJIDSGSA-N 1 1 301.430 3.641 20 30 DHEDMO Cc1ccc(F)c(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000562742005 1027590349 /nfs/dbraw/zinc/59/03/49/1027590349.db2.gz DHTYFFJTZIFHIS-UHFFFAOYSA-N 1 1 309.388 3.587 20 30 DHEDMO C=CCCC[C@@H](C)[N@@H+](CC)CC(=O)NCc1ccc(F)cc1 ZINC000576538789 1027628285 /nfs/dbraw/zinc/62/82/85/1027628285.db2.gz WDJUQPGYDPCMSX-OAHLLOKOSA-N 1 1 306.425 3.509 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000363473004 1027647954 /nfs/dbraw/zinc/64/79/54/1027647954.db2.gz XCDXKWQJZACKQJ-LLVKDONJSA-N 1 1 314.355 3.548 20 30 DHEDMO C=CCCn1cc(C[N@@H+]2CCC[C@]2(C)Cc2cccs2)nn1 ZINC000932923032 1027650485 /nfs/dbraw/zinc/65/04/85/1027650485.db2.gz PCLRVFAJXJMFSW-QGZVFWFLSA-N 1 1 316.474 3.513 20 30 DHEDMO CC(C)(C)OC(=O)N1CCCC[C@]12CC[N@@H+](CCCCC#N)C2 ZINC000933041114 1027663919 /nfs/dbraw/zinc/66/39/19/1027663919.db2.gz BHONKCCDYDKCCK-GOSISDBHSA-N 1 1 321.465 3.546 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC000933046813 1027664623 /nfs/dbraw/zinc/66/46/23/1027664623.db2.gz WSADFBJJSCMVTE-MAUKXSAKSA-N 1 1 321.465 3.544 20 30 DHEDMO CCCCCCC[C@H](C)CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000813591968 1027670653 /nfs/dbraw/zinc/67/06/53/1027670653.db2.gz BBIHHJHUARMGRB-HKUYNNGSSA-N 1 1 323.525 3.720 20 30 DHEDMO Cc1csc(C[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC000933133083 1027683637 /nfs/dbraw/zinc/68/36/37/1027683637.db2.gz GOTPZWAMNOUZMW-CYBMUJFWSA-N 1 1 315.417 3.527 20 30 DHEDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC000933133083 1027683642 /nfs/dbraw/zinc/68/36/42/1027683642.db2.gz GOTPZWAMNOUZMW-CYBMUJFWSA-N 1 1 315.417 3.527 20 30 DHEDMO Cc1csc(C[C@@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC000933133084 1027683659 /nfs/dbraw/zinc/68/36/59/1027683659.db2.gz GOTPZWAMNOUZMW-ZDUSSCGKSA-N 1 1 315.417 3.527 20 30 DHEDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)n1 ZINC000933133084 1027683660 /nfs/dbraw/zinc/68/36/60/1027683660.db2.gz GOTPZWAMNOUZMW-ZDUSSCGKSA-N 1 1 315.417 3.527 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccc(F)c1 ZINC000778155841 1027688630 /nfs/dbraw/zinc/68/86/30/1027688630.db2.gz IRIDGROZQDUWPB-UHFFFAOYSA-N 1 1 303.764 3.781 20 30 DHEDMO CCCCCCCCCCNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000813676045 1027693393 /nfs/dbraw/zinc/69/33/93/1027693393.db2.gz FQFANMQSGMLZLH-IBGZPJMESA-N 1 1 323.525 3.864 20 30 DHEDMO C=CCCCCCCNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000813753506 1027702206 /nfs/dbraw/zinc/70/22/06/1027702206.db2.gz FMFWPEPTLVEEGU-KRWDZBQOSA-N 1 1 321.509 3.639 20 30 DHEDMO C=CCCCCCCCCNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000813755250 1027703014 /nfs/dbraw/zinc/70/30/14/1027703014.db2.gz SSFDKWSYZZQBHX-LJQANCHMSA-N 1 1 321.509 3.640 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+]2C[C@@H]2CCC(C)=C[C@H]2C)C1=O ZINC001275854693 1027735667 /nfs/dbraw/zinc/73/56/67/1027735667.db2.gz QLGOVQYVLVZFEQ-WSTZPKSXSA-N 1 1 316.489 3.622 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1sc(C)nc1C ZINC000778173282 1027739769 /nfs/dbraw/zinc/73/97/69/1027739769.db2.gz QUVOILTYMAWQOW-UHFFFAOYSA-N 1 1 320.845 3.715 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@H+](Cc3ccc(CF)cc3)CCO2)cc1 ZINC000933626341 1027779633 /nfs/dbraw/zinc/77/96/33/1027779633.db2.gz ABOBNJAQKSHMLV-IBGZPJMESA-N 1 1 310.372 3.601 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@@H+](Cc3ccc(CF)cc3)CCO2)cc1 ZINC000933626341 1027779639 /nfs/dbraw/zinc/77/96/39/1027779639.db2.gz ABOBNJAQKSHMLV-IBGZPJMESA-N 1 1 310.372 3.601 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@H+](Cc3ccccc3CF)CCO2)cc1 ZINC000933632424 1027780383 /nfs/dbraw/zinc/78/03/83/1027780383.db2.gz RZASSLODVGPTIF-LJQANCHMSA-N 1 1 310.372 3.601 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3CF)CCO2)cc1 ZINC000933632424 1027780399 /nfs/dbraw/zinc/78/03/99/1027780399.db2.gz RZASSLODVGPTIF-LJQANCHMSA-N 1 1 310.372 3.601 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)s1 ZINC000363954102 1027783098 /nfs/dbraw/zinc/78/30/98/1027783098.db2.gz VMVUHRBFKZJWCK-SFHVURJKSA-N 1 1 310.422 3.641 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CC[N@H+](CC[C@H](C)CC(C)(C)C)C2)C1=O ZINC001275888402 1027803716 /nfs/dbraw/zinc/80/37/16/1027803716.db2.gz IHKLUILVFXRBPQ-FXAWDEMLSA-N 1 1 320.521 3.949 20 30 DHEDMO COC(=O)c1oc([C@@H](C)[N@H+](C)Cc2cc(C#N)cs2)cc1C ZINC000933774388 1027821961 /nfs/dbraw/zinc/82/19/61/1027821961.db2.gz POQHNLVZYCJPBZ-LLVKDONJSA-N 1 1 318.398 3.501 20 30 DHEDMO COC(=O)c1oc([C@@H](C)[N@@H+](C)Cc2cc(C#N)cs2)cc1C ZINC000933774388 1027821974 /nfs/dbraw/zinc/82/19/74/1027821974.db2.gz POQHNLVZYCJPBZ-LLVKDONJSA-N 1 1 318.398 3.501 20 30 DHEDMO Cn1cc([C@@H]2CSCCC[N@H+]2CCCCC(C)(C)C#N)cn1 ZINC000933977509 1027874175 /nfs/dbraw/zinc/87/41/75/1027874175.db2.gz FKUMFNBNTCCIKL-INIZCTEOSA-N 1 1 320.506 3.620 20 30 DHEDMO C=C[C@@H]1CCCCN1C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000934083488 1027901723 /nfs/dbraw/zinc/90/17/23/1027901723.db2.gz ZSRTZUPHIFHZBU-MRXNPFEDSA-N 1 1 314.433 3.644 20 30 DHEDMO C=CCc1cc(C[NH2+][C@@H](C)c2ncccc2F)cc(OC)c1O ZINC000527825901 1027909485 /nfs/dbraw/zinc/90/94/85/1027909485.db2.gz GONXMIRMXVQXAI-LBPRGKRZSA-N 1 1 316.376 3.514 20 30 DHEDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563216982 1027939161 /nfs/dbraw/zinc/93/91/61/1027939161.db2.gz PFIZCVBMJFHTQN-MRXNPFEDSA-N 1 1 321.380 3.764 20 30 DHEDMO CCc1nccc([C@@H]2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000365413927 1027941505 /nfs/dbraw/zinc/94/15/05/1027941505.db2.gz QYECXLYBTVTOKC-MAUKXSAKSA-N 1 1 320.440 3.851 20 30 DHEDMO C=CCOCC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000563257701 1027956858 /nfs/dbraw/zinc/95/68/58/1027956858.db2.gz GNMSURROIDECGT-UHFFFAOYSA-N 1 1 310.235 3.616 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c(Cl)c1 ZINC000934331747 1027968417 /nfs/dbraw/zinc/96/84/17/1027968417.db2.gz ODVYAPLKAFFWOZ-CYBMUJFWSA-N 1 1 317.845 3.733 20 30 DHEDMO C[C@H](NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(C#N)cc1F ZINC000527952002 1027985103 /nfs/dbraw/zinc/98/51/03/1027985103.db2.gz SGRIYDLNHVYTDT-WMLDXEAASA-N 1 1 315.436 3.755 20 30 DHEDMO C[C@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1ccc(C#N)cc1F ZINC000527952002 1027985115 /nfs/dbraw/zinc/98/51/15/1027985115.db2.gz SGRIYDLNHVYTDT-WMLDXEAASA-N 1 1 315.436 3.755 20 30 DHEDMO C=C(C)c1cccc(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000934875220 1028136380 /nfs/dbraw/zinc/13/63/80/1028136380.db2.gz BMGKCCAUKQYIOS-OAHLLOKOSA-N 1 1 301.434 3.572 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000934887340 1028143789 /nfs/dbraw/zinc/14/37/89/1028143789.db2.gz SEANOZMGWQOZEC-KRWDZBQOSA-N 1 1 301.434 3.666 20 30 DHEDMO CC[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000578712866 1028221744 /nfs/dbraw/zinc/22/17/44/1028221744.db2.gz NAUZLOOKYQWGOM-ROUUACIJSA-N 1 1 301.478 3.965 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000159856801 1028276344 /nfs/dbraw/zinc/27/63/44/1028276344.db2.gz OCFKZVUFGONLGG-OAHLLOKOSA-N 1 1 310.397 3.618 20 30 DHEDMO CCCCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@H](C)CCC ZINC000564085298 1028298706 /nfs/dbraw/zinc/29/87/06/1028298706.db2.gz KFAXIQOEYNNKAF-OAHLLOKOSA-N 1 1 313.449 3.782 20 30 DHEDMO C=CCOCC[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000815023590 1028329772 /nfs/dbraw/zinc/32/97/72/1028329772.db2.gz CCIZSFHSSRNWGC-MRXNPFEDSA-N 1 1 324.262 3.659 20 30 DHEDMO N#Cc1ccc(-c2cnc(C[N@@H+](CC3CC3)C3CCC3)o2)cc1 ZINC000368449118 1028354295 /nfs/dbraw/zinc/35/42/95/1028354295.db2.gz IHKWSGPOYALHBQ-UHFFFAOYSA-N 1 1 307.397 3.978 20 30 DHEDMO CCc1nc([C@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)no1 ZINC000368436754 1028354429 /nfs/dbraw/zinc/35/44/29/1028354429.db2.gz BFFGHQDSTVOSDF-AWEZNQCLSA-N 1 1 304.438 3.531 20 30 DHEDMO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c(O)cc1C ZINC000160000166 1028373388 /nfs/dbraw/zinc/37/33/88/1028373388.db2.gz RQOYDISQXJGYFS-UHFFFAOYSA-N 1 1 324.424 3.992 20 30 DHEDMO C=CCSCC[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449133638 1028389796 /nfs/dbraw/zinc/38/97/96/1028389796.db2.gz ZDJVUHODBACEAO-QGZVFWFLSA-N 1 1 318.530 3.591 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@H](COC)C2)cc1OC ZINC000368659914 1028394562 /nfs/dbraw/zinc/39/45/62/1028394562.db2.gz PTSHNNCSMGJYPB-KRWDZBQOSA-N 1 1 319.445 3.509 20 30 DHEDMO C=C(C)C[N@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815204282 1028427292 /nfs/dbraw/zinc/42/72/92/1028427292.db2.gz QHAWEYOUYAKVBN-CVEARBPZSA-N 1 1 308.466 3.674 20 30 DHEDMO CC(C)c1nccn1[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000369259720 1028465396 /nfs/dbraw/zinc/46/53/96/1028465396.db2.gz QARPIZSSSCWASK-SFHVURJKSA-N 1 1 308.429 3.715 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449244486 1028491981 /nfs/dbraw/zinc/49/19/81/1028491981.db2.gz SUKOCWAEQYSKPF-SNVBAGLBSA-N 1 1 307.369 3.870 20 30 DHEDMO CC1(C#N)CCC([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000449294951 1028517511 /nfs/dbraw/zinc/51/75/11/1028517511.db2.gz OIZIPBQGKRQTRP-HDYDNRTBSA-N 1 1 311.473 3.571 20 30 DHEDMO CC1(C#N)CCC([NH2+]C[C@@H]2CCCN2C2CCCCC2)CC1 ZINC000449303100 1028525260 /nfs/dbraw/zinc/52/52/60/1028525260.db2.gz WZMCJKFYNKGPER-AVAKVYKDSA-N 1 1 303.494 3.846 20 30 DHEDMO C[N@@H+](Cc1cc(C#N)ccc1F)C1CCN(c2ccccc2)CC1 ZINC000369955404 1028549320 /nfs/dbraw/zinc/54/93/20/1028549320.db2.gz RDTLRWUBJIBKNR-UHFFFAOYSA-N 1 1 323.415 3.798 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1O ZINC000815618173 1028571940 /nfs/dbraw/zinc/57/19/40/1028571940.db2.gz GINLRJBXJFJYJW-JTQLQIEISA-N 1 1 321.302 3.528 20 30 DHEDMO Cc1cc([C@H]2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)[nH]n1 ZINC000370208109 1028578658 /nfs/dbraw/zinc/57/86/58/1028578658.db2.gz PFWFKYJBURUTKP-INIZCTEOSA-N 1 1 313.832 3.603 20 30 DHEDMO Cc1cc([C@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)n[nH]1 ZINC000370208109 1028578667 /nfs/dbraw/zinc/57/86/67/1028578667.db2.gz PFWFKYJBURUTKP-INIZCTEOSA-N 1 1 313.832 3.603 20 30 DHEDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000370231508 1028579731 /nfs/dbraw/zinc/57/97/31/1028579731.db2.gz SGXWHGWGMIKPBO-OXJNMPFZSA-N 1 1 321.424 3.805 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1c(Cl)nc2ccccn21 ZINC000779167370 1028593583 /nfs/dbraw/zinc/59/35/83/1028593583.db2.gz DRAZLBIPWATSMG-UHFFFAOYSA-N 1 1 315.804 3.811 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1c(Cl)nc2ccccn21 ZINC000779167370 1028593589 /nfs/dbraw/zinc/59/35/89/1028593589.db2.gz DRAZLBIPWATSMG-UHFFFAOYSA-N 1 1 315.804 3.811 20 30 DHEDMO COc1cccc([C@H]2C[N@@H+](Cc3ccc(C#N)cn3)CC2(C)C)c1 ZINC000528628274 1028617405 /nfs/dbraw/zinc/61/74/05/1028617405.db2.gz YDYNAPJEVNKFJX-LJQANCHMSA-N 1 1 321.424 3.587 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CC=C(c3cccc(F)c3)CC2)cc1 ZINC000370557344 1028618748 /nfs/dbraw/zinc/61/87/48/1028618748.db2.gz KGUZULRRJRXAIE-FQEVSTJZSA-N 1 1 322.383 3.520 20 30 DHEDMO N#CCSCCC[N@@H+]1CC[C@H](Cc2cccc(Cl)c2)C1 ZINC000371361958 1028696147 /nfs/dbraw/zinc/69/61/47/1028696147.db2.gz WMIOSUYUCBTCFC-OAHLLOKOSA-N 1 1 308.878 3.851 20 30 DHEDMO Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(C)(C)CCC#N)n1 ZINC000371403254 1028704891 /nfs/dbraw/zinc/70/48/91/1028704891.db2.gz MPLGEWNNELBEEN-INIZCTEOSA-N 1 1 300.450 3.596 20 30 DHEDMO N#CCC[N@@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)CC1CC1 ZINC000371420057 1028709706 /nfs/dbraw/zinc/70/97/06/1028709706.db2.gz SKGIIUPPWNNMCW-UHFFFAOYSA-N 1 1 320.396 3.949 20 30 DHEDMO N#CCC[N@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)CC1CC1 ZINC000371420057 1028709718 /nfs/dbraw/zinc/70/97/18/1028709718.db2.gz SKGIIUPPWNNMCW-UHFFFAOYSA-N 1 1 320.396 3.949 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc2nccn21 ZINC000371478266 1028722374 /nfs/dbraw/zinc/72/23/74/1028722374.db2.gz VIMMPNPBQNGYAY-MOPGFXCFSA-N 1 1 316.408 3.606 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc2nccn21 ZINC000371478266 1028722387 /nfs/dbraw/zinc/72/23/87/1028722387.db2.gz VIMMPNPBQNGYAY-MOPGFXCFSA-N 1 1 316.408 3.606 20 30 DHEDMO N#CC1(CC[N@@H+]2CCc3nc(C4CC4)ncc3C2)CCCCC1 ZINC000528742954 1028750641 /nfs/dbraw/zinc/75/06/41/1028750641.db2.gz ZYKYQKWMPLLHHL-UHFFFAOYSA-N 1 1 310.445 3.576 20 30 DHEDMO N#CC1(CC[N@H+]2CCc3nc(C4CC4)ncc3C2)CCCCC1 ZINC000528742954 1028750655 /nfs/dbraw/zinc/75/06/55/1028750655.db2.gz ZYKYQKWMPLLHHL-UHFFFAOYSA-N 1 1 310.445 3.576 20 30 DHEDMO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000528742900 1028752167 /nfs/dbraw/zinc/75/21/67/1028752167.db2.gz AFCHOBHGVRDWIJ-GOSISDBHSA-N 1 1 309.388 3.860 20 30 DHEDMO C=C[C@H](CC)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001135462221 1028784618 /nfs/dbraw/zinc/78/46/18/1028784618.db2.gz XWFZPGBJFYUOMD-CJNGLKHVSA-N 1 1 308.853 3.661 20 30 DHEDMO C[N@@H+]1CC[C@H](NCC#Cc2ccccc2Cl)[C@H]1c1ccccc1 ZINC000566884117 1028795933 /nfs/dbraw/zinc/79/59/33/1028795933.db2.gz DECFDSYUFZWWDV-VQTJNVASSA-N 1 1 324.855 3.727 20 30 DHEDMO C[N@H+]1CC[C@H](NCC#Cc2ccccc2Cl)[C@H]1c1ccccc1 ZINC000566884117 1028795947 /nfs/dbraw/zinc/79/59/47/1028795947.db2.gz DECFDSYUFZWWDV-VQTJNVASSA-N 1 1 324.855 3.727 20 30 DHEDMO C[NH+](C)[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)C1CCCCC1 ZINC000566944068 1028810115 /nfs/dbraw/zinc/81/01/15/1028810115.db2.gz VKVZZHMYVHMEFH-PMACEKPBSA-N 1 1 311.473 3.646 20 30 DHEDMO CCCCCCC[N@@H+]1C[C@@H](OC)C[C@@H]1c1nc(C2CC2)no1 ZINC000372445757 1028858751 /nfs/dbraw/zinc/85/87/51/1028858751.db2.gz KZNFVQBCHBVSDG-LSDHHAIUSA-N 1 1 307.438 3.679 20 30 DHEDMO CCCCCCC[N@H+]1C[C@@H](OC)C[C@@H]1c1nc(C2CC2)no1 ZINC000372445757 1028858771 /nfs/dbraw/zinc/85/87/71/1028858771.db2.gz KZNFVQBCHBVSDG-LSDHHAIUSA-N 1 1 307.438 3.679 20 30 DHEDMO CC#CCCCC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000816455887 1028877427 /nfs/dbraw/zinc/87/74/27/1028877427.db2.gz XLMGOZMBPSLXOZ-HKUYNNGSSA-N 1 1 313.441 3.634 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000372746393 1028890600 /nfs/dbraw/zinc/89/06/00/1028890600.db2.gz LXJYXDIGDPNGSX-GOSISDBHSA-N 1 1 322.456 3.739 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(C)cc(OC)c1O ZINC000778589824 1028903401 /nfs/dbraw/zinc/90/34/01/1028903401.db2.gz VOKIIBRHTQNJLU-UHFFFAOYSA-N 1 1 301.386 3.533 20 30 DHEDMO CC[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2s1)[NH+](CC)CC ZINC000778600041 1028934020 /nfs/dbraw/zinc/93/40/20/1028934020.db2.gz WDHGOPWRTNVBFV-OCCSQVGLSA-N 1 1 315.442 3.593 20 30 DHEDMO CC[C@@H](C(=O)[C@@H](C#N)c1ccc2ccccc2n1)[NH+](CC)CC ZINC000778599559 1028936963 /nfs/dbraw/zinc/93/69/63/1028936963.db2.gz PKGYZXDHBUPJFZ-YJBOKZPZSA-N 1 1 309.413 3.531 20 30 DHEDMO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1ccc(C)c(C#N)c1)C2 ZINC001170834206 1028943890 /nfs/dbraw/zinc/94/38/90/1028943890.db2.gz DJPSAXFBPQIGAS-UHFFFAOYSA-N 1 1 318.420 3.923 20 30 DHEDMO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc(C)c(C#N)c1)C2 ZINC001170834206 1028943900 /nfs/dbraw/zinc/94/39/00/1028943900.db2.gz DJPSAXFBPQIGAS-UHFFFAOYSA-N 1 1 318.420 3.923 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc2[nH]ccc2c1 ZINC000628272543 1028982190 /nfs/dbraw/zinc/98/21/90/1028982190.db2.gz REZOBUONFJUFRX-UHFFFAOYSA-N 1 1 310.397 3.832 20 30 DHEDMO C=CCCCCC[N@H+]1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000373277626 1028996269 /nfs/dbraw/zinc/99/62/69/1028996269.db2.gz HUAQQHMHQKESKQ-MRXNPFEDSA-N 1 1 302.466 3.888 20 30 DHEDMO CC(C)[C@@H]1[N@@H+](Cc2cnc3ccc(C#N)cn23)CC12CCCC2 ZINC000449793420 1029014044 /nfs/dbraw/zinc/01/40/44/1029014044.db2.gz WSRCZZSPIGVVKT-SFHVURJKSA-N 1 1 308.429 3.607 20 30 DHEDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000373411358 1029036160 /nfs/dbraw/zinc/03/61/60/1029036160.db2.gz DWMZHYYUTRVVIC-JXFKEZNVSA-N 1 1 321.424 3.805 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2c(C(C)C)nc3sc(C)nn23)C1 ZINC000628405800 1029043910 /nfs/dbraw/zinc/04/39/10/1029043910.db2.gz UYNHPBIDFNEHSO-ZDUSSCGKSA-N 1 1 304.463 3.621 20 30 DHEDMO C[N@@H+](CCCCC(F)(F)F)CCOCc1ccc(C#N)cc1 ZINC000568440897 1029069821 /nfs/dbraw/zinc/06/98/21/1029069821.db2.gz BIDSMXXDPSHZLG-UHFFFAOYSA-N 1 1 314.351 3.739 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000568446689 1029070888 /nfs/dbraw/zinc/07/08/88/1029070888.db2.gz PWMLWBOJXFSJHK-UHFFFAOYSA-N 1 1 323.392 3.625 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000568446689 1029070908 /nfs/dbraw/zinc/07/09/08/1029070908.db2.gz PWMLWBOJXFSJHK-UHFFFAOYSA-N 1 1 323.392 3.625 20 30 DHEDMO COc1ccc(OC2CC[NH+](CC#Cc3ccccc3)CC2)cc1 ZINC000568462612 1029073481 /nfs/dbraw/zinc/07/34/81/1029073481.db2.gz PARJHMQAVTWLRQ-UHFFFAOYSA-N 1 1 321.420 3.590 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000568474433 1029076738 /nfs/dbraw/zinc/07/67/38/1029076738.db2.gz LZJGGHQMRLWMAQ-ZDUSSCGKSA-N 1 1 301.356 3.895 20 30 DHEDMO Cc1cc(Br)cc2c1C[N@@H+]([C@@H](C)CCC#N)CC2 ZINC000411477261 1029137000 /nfs/dbraw/zinc/13/70/00/1029137000.db2.gz CRLZMDQNOMYHFI-LBPRGKRZSA-N 1 1 307.235 3.808 20 30 DHEDMO N#CC1(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCCC1 ZINC000411397537 1029121050 /nfs/dbraw/zinc/12/10/50/1029121050.db2.gz HUSBFWYJLAVMQO-IEBWSBKVSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CC[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CCCCC1 ZINC000411397537 1029121072 /nfs/dbraw/zinc/12/10/72/1029121072.db2.gz HUSBFWYJLAVMQO-IEBWSBKVSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CC[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CCCCC1 ZINC000411397537 1029121076 /nfs/dbraw/zinc/12/10/76/1029121076.db2.gz HUSBFWYJLAVMQO-IEBWSBKVSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CC[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)CCCCC1 ZINC000411410176 1029121864 /nfs/dbraw/zinc/12/18/64/1029121864.db2.gz RPKLFRGXCJZKEN-DLBZAZTESA-N 1 1 322.518 3.837 20 30 DHEDMO Cc1cc(Br)cc2c1C[N@H+]([C@@H](C)CCC#N)CC2 ZINC000411477261 1029136997 /nfs/dbraw/zinc/13/69/97/1029136997.db2.gz CRLZMDQNOMYHFI-LBPRGKRZSA-N 1 1 307.235 3.808 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CCCC(C)(C)C#N)C1 ZINC000373914177 1029167119 /nfs/dbraw/zinc/16/71/19/1029167119.db2.gz UTWBFOPNMYDUCJ-OWSLCNJRSA-N 1 1 306.494 3.968 20 30 DHEDMO C[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000411785288 1029206913 /nfs/dbraw/zinc/20/69/13/1029206913.db2.gz CFMXRXSCOGEQEF-YWZLYKJASA-N 1 1 306.409 3.570 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCCO[C@@H]3CCC[C@H]32)c1 ZINC000374094218 1029207568 /nfs/dbraw/zinc/20/75/68/1029207568.db2.gz NEUGICJYGPNWOL-RTBURBONSA-N 1 1 314.429 3.513 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2CCCCC(C)(C)C#N)C1 ZINC000374170385 1029227337 /nfs/dbraw/zinc/22/73/37/1029227337.db2.gz GPUALJPLYCKAKK-TVFCKZIOSA-N 1 1 306.494 3.968 20 30 DHEDMO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2cc(C#N)ccc2F)o1 ZINC000155392793 1029228307 /nfs/dbraw/zinc/22/83/07/1029228307.db2.gz RCWZEODEWQQJAB-UHFFFAOYSA-N 1 1 324.359 3.621 20 30 DHEDMO Cc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2cc(C#N)ccc2F)o1 ZINC000155392793 1029228321 /nfs/dbraw/zinc/22/83/21/1029228321.db2.gz RCWZEODEWQQJAB-UHFFFAOYSA-N 1 1 324.359 3.621 20 30 DHEDMO CCC[N@@H+](CCC#N)[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170879006 1029258299 /nfs/dbraw/zinc/25/82/99/1029258299.db2.gz NQTVMSBFSAJLDY-MRXNPFEDSA-N 1 1 321.262 3.932 20 30 DHEDMO C=CC(C)(C)C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000450209539 1029260734 /nfs/dbraw/zinc/26/07/34/1029260734.db2.gz WSKFLZKDYAKBPS-WMZOPIPTSA-N 1 1 314.473 3.616 20 30 DHEDMO C=CCC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000570015375 1029299785 /nfs/dbraw/zinc/29/97/85/1029299785.db2.gz NTXBNUHXWKUFEK-FUHWJXTLSA-N 1 1 302.462 3.581 20 30 DHEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000412040911 1029301041 /nfs/dbraw/zinc/30/10/41/1029301041.db2.gz LAJXLNQLODFREF-AWEZNQCLSA-N 1 1 308.429 3.579 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(CNc2cccc(C#N)c2[N+](=O)[O-])c1 ZINC000450269761 1029318796 /nfs/dbraw/zinc/31/87/96/1029318796.db2.gz NZKHHGLSNIGDBQ-UHFFFAOYSA-N 1 1 324.384 3.530 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450297993 1029331609 /nfs/dbraw/zinc/33/16/09/1029331609.db2.gz KXIORZUNGGHQMG-DYESRHJHSA-N 1 1 320.436 3.711 20 30 DHEDMO CC[C@H](C(=O)Nc1cccc(C#N)c1C)[N@@H+](C)Cc1ccccc1 ZINC000570441430 1029367024 /nfs/dbraw/zinc/36/70/24/1029367024.db2.gz PYBRVAPDYJDIBH-LJQANCHMSA-N 1 1 321.424 3.716 20 30 DHEDMO N#Cc1ccc(C[N@@H+](CCc2ccccc2)C2CCCC2)nc1 ZINC000570579166 1029386294 /nfs/dbraw/zinc/38/62/94/1029386294.db2.gz DGWCERCHANYBEY-UHFFFAOYSA-N 1 1 305.425 3.941 20 30 DHEDMO Cc1ccccc1C1=CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000374613737 1029403863 /nfs/dbraw/zinc/40/38/63/1029403863.db2.gz PFVKINVKGSFLJW-NRFANRHFSA-N 1 1 318.420 3.689 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000570707065 1029408924 /nfs/dbraw/zinc/40/89/24/1029408924.db2.gz IOCIBXRRXQBBGL-KRWDZBQOSA-N 1 1 314.392 3.758 20 30 DHEDMO CCc1cc(CCC[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)on1 ZINC000450451136 1029486801 /nfs/dbraw/zinc/48/68/01/1029486801.db2.gz ISWXWVJMJFHRFW-WOJBJXKFSA-N 1 1 323.440 3.941 20 30 DHEDMO CCc1cc(CCC[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)on1 ZINC000450451136 1029486805 /nfs/dbraw/zinc/48/68/05/1029486805.db2.gz ISWXWVJMJFHRFW-WOJBJXKFSA-N 1 1 323.440 3.941 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCC[C@]3(CCc4ccccc4O3)C2)c1 ZINC000529663925 1029498553 /nfs/dbraw/zinc/49/85/53/1029498553.db2.gz NHFGAKRORWJSAA-IBGZPJMESA-N 1 1 324.449 3.980 20 30 DHEDMO CC[N@H+](c1ccc(NC[C@@H](O)c2ccc(C#N)cc2)cc1)C(C)C ZINC000819399779 1029548062 /nfs/dbraw/zinc/54/80/62/1029548062.db2.gz XKHSHYZZPOTDBM-HXUWFJFHSA-N 1 1 323.440 3.938 20 30 DHEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000450626966 1029574367 /nfs/dbraw/zinc/57/43/67/1029574367.db2.gz VZLQESOLLQVJJS-MRXNPFEDSA-N 1 1 308.429 3.503 20 30 DHEDMO Cc1ccc(Br)cc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000450611911 1029578890 /nfs/dbraw/zinc/57/88/90/1029578890.db2.gz JLIYYXGQRCCLCC-LLVKDONJSA-N 1 1 307.235 3.882 20 30 DHEDMO Cc1ccc(Br)cc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000450611911 1029578897 /nfs/dbraw/zinc/57/88/97/1029578897.db2.gz JLIYYXGQRCCLCC-LLVKDONJSA-N 1 1 307.235 3.882 20 30 DHEDMO C[C@H](N=NC1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000819814911 1029612891 /nfs/dbraw/zinc/61/28/91/1029612891.db2.gz IAZMDEWISDAUPA-SJORKVTESA-N 1 1 322.456 3.630 20 30 DHEDMO C[C@@H](O)C[N@@H+](CC1(C#N)CCC1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000450904032 1029731963 /nfs/dbraw/zinc/73/19/63/1029731963.db2.gz DLDUYDHAAMRYAC-HUUCEWRRSA-N 1 1 320.864 3.648 20 30 DHEDMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)CC1(C#N)CCC1 ZINC000450973545 1029746151 /nfs/dbraw/zinc/74/61/51/1029746151.db2.gz KPGQHBNQBDDZHI-UHFFFAOYSA-N 1 1 312.335 3.753 20 30 DHEDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)CC1(C#N)CCC1 ZINC000450973545 1029746160 /nfs/dbraw/zinc/74/61/60/1029746160.db2.gz KPGQHBNQBDDZHI-UHFFFAOYSA-N 1 1 312.335 3.753 20 30 DHEDMO N#CC1(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)CCC1 ZINC000451141921 1029797851 /nfs/dbraw/zinc/79/78/51/1029797851.db2.gz ARIKFTXADAFGNK-UHFFFAOYSA-N 1 1 310.319 3.858 20 30 DHEDMO CN(C)c1[nH+]cc(/C=C\C(=O)c2ccc(Cl)c(Cl)c2)n1C ZINC000821027880 1029800574 /nfs/dbraw/zinc/80/05/74/1029800574.db2.gz MSZDSRRRGYUGDZ-ALCCZGGFSA-N 1 1 324.211 3.689 20 30 DHEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(C)cs1 ZINC001275527585 1029926882 /nfs/dbraw/zinc/92/68/82/1029926882.db2.gz CTXNRDOTRZRAOX-GOSISDBHSA-N 1 1 318.486 3.590 20 30 DHEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCCN(c2ccccc2)C1 ZINC000530666085 1029952220 /nfs/dbraw/zinc/95/22/20/1029952220.db2.gz VSCYTDNAGDKHAF-HXUWFJFHSA-N 1 1 305.425 3.659 20 30 DHEDMO C[N@@H+](CCCCNc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000413346441 1029964540 /nfs/dbraw/zinc/96/45/40/1029964540.db2.gz IAVRAPOOPXVBCS-UHFFFAOYSA-N 1 1 311.351 3.863 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@](C)(CC)C1 ZINC000468126587 1029980544 /nfs/dbraw/zinc/98/05/44/1029980544.db2.gz LADXPRSPGTWUGB-QAPCUYQASA-N 1 1 320.502 3.773 20 30 DHEDMO COC(=O)c1ccc(C(=[NH2+])Nc2ccc(F)c3ccccc23)cc1 ZINC001170985652 1029991550 /nfs/dbraw/zinc/99/15/50/1029991550.db2.gz VDLXRSUOUOVRFR-UHFFFAOYSA-N 1 1 322.339 3.803 20 30 DHEDMO N#CCC[C@H](C#N)C[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC000451969344 1030070993 /nfs/dbraw/zinc/07/09/93/1030070993.db2.gz WEVAFWZZDIXIAO-OAHLLOKOSA-N 1 1 317.383 3.663 20 30 DHEDMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000357482482 1030073253 /nfs/dbraw/zinc/07/32/53/1030073253.db2.gz KSTCTEYFVVMDCY-CQSZACIVSA-N 1 1 321.852 3.563 20 30 DHEDMO COc1cccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000530971146 1030103127 /nfs/dbraw/zinc/10/31/27/1030103127.db2.gz DVEXAGDBNIRTOM-UXHICEINSA-N 1 1 306.409 3.967 20 30 DHEDMO COc1cccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000530971146 1030103135 /nfs/dbraw/zinc/10/31/35/1030103135.db2.gz DVEXAGDBNIRTOM-UXHICEINSA-N 1 1 306.409 3.967 20 30 DHEDMO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000357612267 1030126104 /nfs/dbraw/zinc/12/61/04/1030126104.db2.gz JJXIRTWTCAFGQB-LBPRGKRZSA-N 1 1 317.339 3.748 20 30 DHEDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000357612267 1030126112 /nfs/dbraw/zinc/12/61/12/1030126112.db2.gz JJXIRTWTCAFGQB-LBPRGKRZSA-N 1 1 317.339 3.748 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CC)C1 ZINC000533224678 1030203741 /nfs/dbraw/zinc/20/37/41/1030203741.db2.gz WPTVHKKFBMGFOI-CVEARBPZSA-N 1 1 320.502 3.773 20 30 DHEDMO C=CCC[C@H](NC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000357851738 1030221144 /nfs/dbraw/zinc/22/11/44/1030221144.db2.gz VQPBNHIGKFGNKZ-AEFFLSMTSA-N 1 1 317.477 3.722 20 30 DHEDMO C=CCC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000357851741 1030221653 /nfs/dbraw/zinc/22/16/53/1030221653.db2.gz VQPBNHIGKFGNKZ-FUHWJXTLSA-N 1 1 317.477 3.722 20 30 DHEDMO Cc1cc(F)ccc1[C@@H](O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000823619131 1030343262 /nfs/dbraw/zinc/34/32/62/1030343262.db2.gz XYBUYAUDPLRGCP-KUHUBIRLSA-N 1 1 312.388 3.732 20 30 DHEDMO COc1ccc(C[C@@H]2CCC[N@@H+](CCC(C)(C)C#N)C2)cc1 ZINC000557966115 1030359968 /nfs/dbraw/zinc/35/99/68/1030359968.db2.gz JXLXRJYBNVKNEJ-KRWDZBQOSA-N 1 1 300.446 3.890 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000533444803 1030366207 /nfs/dbraw/zinc/36/62/07/1030366207.db2.gz LDLOLCMFPSGCAD-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000533444803 1030366218 /nfs/dbraw/zinc/36/62/18/1030366218.db2.gz LDLOLCMFPSGCAD-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO CC[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1ccc(F)cc1O ZINC000866618064 1030407150 /nfs/dbraw/zinc/40/71/50/1030407150.db2.gz VDCKMFOLBRFSLA-SJLPKXTDSA-N 1 1 310.372 3.611 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)cc1C#N ZINC000533538922 1030417226 /nfs/dbraw/zinc/41/72/26/1030417226.db2.gz VBYZAMGMWWRJMQ-SFHVURJKSA-N 1 1 306.409 3.631 20 30 DHEDMO CC(C)c1ccc(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000867943444 1030505499 /nfs/dbraw/zinc/50/54/99/1030505499.db2.gz VXDPZLLKASTHLF-IBGZPJMESA-N 1 1 319.408 3.507 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)cc1 ZINC000824737535 1030613478 /nfs/dbraw/zinc/61/34/78/1030613478.db2.gz BWIOOSFWFBZASF-UHFFFAOYSA-N 1 1 320.440 3.520 20 30 DHEDMO C=CC[N@H+](Cc1[nH]c(C)c(CCC(=O)OC)c1C)C(C)(C)C ZINC001136923405 1030615115 /nfs/dbraw/zinc/61/51/15/1030615115.db2.gz QLPVPIJMJSYALL-UHFFFAOYSA-N 1 1 306.450 3.524 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1csc(C(F)(F)F)c1 ZINC000926227239 1030664633 /nfs/dbraw/zinc/66/46/33/1030664633.db2.gz BOISIIDTONPPSU-SECBINFHSA-N 1 1 311.332 3.884 20 30 DHEDMO Cc1ccc2ncc(C#N)c(N3CCC[C@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000291839704 1030665850 /nfs/dbraw/zinc/66/58/50/1030665850.db2.gz GULZHGHXFAWCRT-AWEZNQCLSA-N 1 1 317.396 3.522 20 30 DHEDMO Cn1c(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc2ccccc21 ZINC001212041008 1030704916 /nfs/dbraw/zinc/70/49/16/1030704916.db2.gz YDNUOMDOOWEDPR-UHFFFAOYSA-N 1 1 322.437 3.843 20 30 DHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)OCC2(CC#N)CC2)cc1 ZINC000805888892 1030762508 /nfs/dbraw/zinc/76/25/08/1030762508.db2.gz NWWAJUGPYMGPNN-UHFFFAOYSA-N 1 1 314.429 3.769 20 30 DHEDMO COc1ccccc1[C@H]([NH2+]CC(C)(C)CC#N)c1ccccn1 ZINC000926566743 1030801761 /nfs/dbraw/zinc/80/17/61/1030801761.db2.gz CIKDKKPGDYSJLV-SFHVURJKSA-N 1 1 309.413 3.709 20 30 DHEDMO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000926602495 1030823458 /nfs/dbraw/zinc/82/34/58/1030823458.db2.gz MCDWMMWWOWKXJG-SJORKVTESA-N 1 1 307.397 3.899 20 30 DHEDMO N#C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000926614842 1030826802 /nfs/dbraw/zinc/82/68/02/1030826802.db2.gz LRMHLNQUDCINRR-RZQVSUQPSA-N 1 1 323.484 3.854 20 30 DHEDMO N#CC1(C[NH2+][C@@H]2CCCc3ncc(Br)cc32)CCC1 ZINC000926628814 1030827545 /nfs/dbraw/zinc/82/75/45/1030827545.db2.gz YYOUUYUYZHRERD-CQSZACIVSA-N 1 1 320.234 3.505 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc3ccccc3o2)C1=O ZINC001275641559 1030862967 /nfs/dbraw/zinc/86/29/67/1030862967.db2.gz MYDOFBSYIYZUHO-FQEVSTJZSA-N 1 1 324.424 3.576 20 30 DHEDMO C=CC[NH+](CC=C)Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001143692842 1030906150 /nfs/dbraw/zinc/90/61/50/1030906150.db2.gz FHHONTHAHZVVNU-UHFFFAOYSA-N 1 1 303.406 3.603 20 30 DHEDMO C=CCCC[C@@H]([NH2+][C@H](C)c1cc(CO)on1)c1ccccc1 ZINC000926856625 1030954332 /nfs/dbraw/zinc/95/43/32/1030954332.db2.gz XSUHQHZHCCKJAU-RHSMWYFYSA-N 1 1 300.402 3.915 20 30 DHEDMO CC[C@@H]([NH2+]Cc1ccc(C)nc1Cl)c1cccc(C#N)c1O ZINC000926852528 1030954400 /nfs/dbraw/zinc/95/44/00/1030954400.db2.gz YSBOHCOHPBHOMB-OAHLLOKOSA-N 1 1 315.804 3.862 20 30 DHEDMO C=C(C)C[N@H+](CCCn1ccnc1)Cc1ccccc1OCC ZINC000161895406 1030959265 /nfs/dbraw/zinc/95/92/65/1030959265.db2.gz HWEIDSPBDGIDOC-UHFFFAOYSA-N 1 1 313.445 3.750 20 30 DHEDMO CCOc1c(F)c(C[NH+]2CCC(S)CC2)ccc1Cl ZINC001143832676 1030999887 /nfs/dbraw/zinc/99/98/87/1030999887.db2.gz FXOXFERZQUQRGY-UHFFFAOYSA-N 1 1 303.830 3.772 20 30 DHEDMO COCCCCc1ccc[nH+]c1NCc1ccc(C#N)s1 ZINC000292452095 1031002193 /nfs/dbraw/zinc/00/21/93/1031002193.db2.gz GCYYKTMCFLLOTM-UHFFFAOYSA-N 1 1 301.415 3.596 20 30 DHEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)C(C)C ZINC000162027825 1031031205 /nfs/dbraw/zinc/03/12/05/1031031205.db2.gz NVIMFJAKEGDMIS-UHFFFAOYSA-N 1 1 321.852 3.625 20 30 DHEDMO Cc1nc(C(C)C)ccc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371887 1031072975 /nfs/dbraw/zinc/07/29/75/1031072975.db2.gz ROCRBJHAZGDUEY-HXUWFJFHSA-N 1 1 323.440 3.551 20 30 DHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)[C@@H]1CC[C@H](C#N)C1 ZINC000559070345 1031085632 /nfs/dbraw/zinc/08/56/32/1031085632.db2.gz ZTBGHCTZDVAQHX-MAUKXSAKSA-N 1 1 308.429 3.633 20 30 DHEDMO C[C@@H]1CCC[N@@H+](CCCCC#N)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844397365 1031101978 /nfs/dbraw/zinc/10/19/78/1031101978.db2.gz NKQFWIZJUJFZPB-HZPDHXFCSA-N 1 1 323.481 3.696 20 30 DHEDMO C=CC[NH+](CC=C)Cc1cc(OC(F)(F)F)ccc1OC ZINC001144005518 1031152083 /nfs/dbraw/zinc/15/20/83/1031152083.db2.gz WAMKTLNDMSSFTA-UHFFFAOYSA-N 1 1 301.308 3.768 20 30 DHEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000359841775 1031159478 /nfs/dbraw/zinc/15/94/78/1031159478.db2.gz PBZLAYCJQIYVML-VQIMIIECSA-N 1 1 312.457 3.534 20 30 DHEDMO C=CCCn1cc(C[N@H+]2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)nn1 ZINC000653712466 1031166218 /nfs/dbraw/zinc/16/62/18/1031166218.db2.gz GLJVJJFQCFWMJV-GJYPPUQNSA-N 1 1 310.445 3.621 20 30 DHEDMO C[Si](C)(C)C[N@@H+](Cc1ccccc1)Cc1cncc(C#N)c1 ZINC001144079373 1031231138 /nfs/dbraw/zinc/23/11/38/1031231138.db2.gz LTFIQHOBJHGDQO-UHFFFAOYSA-N 1 1 309.489 3.833 20 30 DHEDMO N#Cc1cncc(C[N@@H+](Cc2ccccc2)C2CCSCC2)c1 ZINC001144084802 1031234979 /nfs/dbraw/zinc/23/49/79/1031234979.db2.gz NFXZHIUEDBCEAZ-UHFFFAOYSA-N 1 1 323.465 3.851 20 30 DHEDMO N#Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000360166006 1031303196 /nfs/dbraw/zinc/30/31/96/1031303196.db2.gz ZYVMNXAPDBRCFF-LJQANCHMSA-N 1 1 319.408 3.551 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCc3c(F)cccc3C2)cc1 ZINC000123795749 1031311774 /nfs/dbraw/zinc/31/17/74/1031311774.db2.gz PXOHLCWEXGPJOG-CQSZACIVSA-N 1 1 310.372 3.675 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCc3c(F)cccc3C2)cc1 ZINC000123795749 1031311788 /nfs/dbraw/zinc/31/17/88/1031311788.db2.gz PXOHLCWEXGPJOG-CQSZACIVSA-N 1 1 310.372 3.675 20 30 DHEDMO C[C@H](Nc1ccc2c(c1)[nH+]cn2C)c1ccc(OCC#N)cc1 ZINC000777694935 1031350019 /nfs/dbraw/zinc/35/00/19/1031350019.db2.gz NYEPOYOFWJXOOF-ZDUSSCGKSA-N 1 1 306.369 3.649 20 30 DHEDMO C=CC[N@@H+](C[C@H]1CC=CCC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536675428 1031385653 /nfs/dbraw/zinc/38/56/53/1031385653.db2.gz MNRJCTCFVXVSDZ-IRXDYDNUSA-N 1 1 323.444 3.568 20 30 DHEDMO N#Cc1csc(C[N@H+](CCc2ccc(F)cc2)C2CC2)c1 ZINC000536674916 1031385872 /nfs/dbraw/zinc/38/58/72/1031385872.db2.gz HSFJRGCSBZCNRS-UHFFFAOYSA-N 1 1 300.402 3.966 20 30 DHEDMO C#CCCCCCC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000929063677 1031425738 /nfs/dbraw/zinc/42/57/38/1031425738.db2.gz DUOOCMCIMDLSFD-UHFFFAOYSA-N 1 1 307.441 3.814 20 30 DHEDMO COc1ccc(C[N@@H+](C)CCCCC2(C#N)CCC2)cc1OC ZINC000929212736 1031466558 /nfs/dbraw/zinc/46/65/58/1031466558.db2.gz SPLSMRDFWNFILC-UHFFFAOYSA-N 1 1 316.445 4.000 20 30 DHEDMO Cc1ccc(NC(=O)C[N@@H+](C)CCCCC2(C#N)CCC2)cc1 ZINC000929241917 1031474697 /nfs/dbraw/zinc/47/46/97/1031474697.db2.gz GYZNGRUELPGSEF-UHFFFAOYSA-N 1 1 313.445 3.730 20 30 DHEDMO CC(F)(F)CCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000929262244 1031481388 /nfs/dbraw/zinc/48/13/88/1031481388.db2.gz GTVCRDCQNOAKMK-UHFFFAOYSA-N 1 1 307.388 3.506 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929365048 1031504155 /nfs/dbraw/zinc/50/41/55/1031504155.db2.gz VIDVRVRSOFLXOB-BJWYYQGGSA-N 1 1 302.368 3.838 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cncc(C#N)c1 ZINC000929384896 1031509688 /nfs/dbraw/zinc/50/96/88/1031509688.db2.gz LBJSLQAYCUBFCT-UHFFFAOYSA-N 1 1 319.330 3.994 20 30 DHEDMO COc1cc(C[N@@H+](C)CCCCC2(C#N)CCC2)ccc1O ZINC000929526363 1031542117 /nfs/dbraw/zinc/54/21/17/1031542117.db2.gz PIHWHGLULOCYIX-UHFFFAOYSA-N 1 1 302.418 3.697 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000537224108 1031545676 /nfs/dbraw/zinc/54/56/76/1031545676.db2.gz HUMQQVGWUDWQEC-MAUKXSAKSA-N 1 1 318.436 3.651 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000537224108 1031545685 /nfs/dbraw/zinc/54/56/85/1031545685.db2.gz HUMQQVGWUDWQEC-MAUKXSAKSA-N 1 1 318.436 3.651 20 30 DHEDMO C[N@@H+](Cc1c[nH]c2nc(Cl)ccc12)Cc1cccc(C#N)c1 ZINC001144416518 1031557725 /nfs/dbraw/zinc/55/77/25/1031557725.db2.gz LDFZJDVWLWKGHN-UHFFFAOYSA-N 1 1 310.788 3.720 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872258982 1031561785 /nfs/dbraw/zinc/56/17/85/1031561785.db2.gz IDFMUPJLPYUGNX-INIZCTEOSA-N 1 1 319.836 3.530 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872258982 1031561793 /nfs/dbraw/zinc/56/17/93/1031561793.db2.gz IDFMUPJLPYUGNX-INIZCTEOSA-N 1 1 319.836 3.530 20 30 DHEDMO COc1ccc([C@@H](CO)[N@@H+](C)CCCCC2(C#N)CCC2)cc1 ZINC000929639554 1031562966 /nfs/dbraw/zinc/56/29/66/1031562966.db2.gz RSNJWTUAQCYSRV-GOSISDBHSA-N 1 1 316.445 3.525 20 30 DHEDMO N#Cc1cncc(C[N@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000929634401 1031564209 /nfs/dbraw/zinc/56/42/09/1031564209.db2.gz DXSODWWICDCVGI-UHFFFAOYSA-N 1 1 307.397 3.604 20 30 DHEDMO N#CC1(CCC[N@H+]2CCC[C@H](OC3CCC3)CC2)CCOCC1 ZINC000872278926 1031571504 /nfs/dbraw/zinc/57/15/04/1031571504.db2.gz BINSODPVRIDIKX-SFHVURJKSA-N 1 1 320.477 3.511 20 30 DHEDMO CCC[N@@H+](CC1CCC(C#N)CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000929695797 1031579279 /nfs/dbraw/zinc/57/92/79/1031579279.db2.gz HTXXVGFIXUMKDS-YXYCDRMUSA-N 1 1 304.478 3.842 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000360838196 1031584407 /nfs/dbraw/zinc/58/44/07/1031584407.db2.gz BFBUIZHWJLDROM-WIYYLYMNSA-N 1 1 323.484 3.932 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000360838196 1031584414 /nfs/dbraw/zinc/58/44/14/1031584414.db2.gz BFBUIZHWJLDROM-WIYYLYMNSA-N 1 1 323.484 3.932 20 30 DHEDMO N#CC1(CCCCN2CC[C@@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000929718277 1031589505 /nfs/dbraw/zinc/58/95/05/1031589505.db2.gz DJSLQZHKWVBDRC-SFHVURJKSA-N 1 1 303.494 3.658 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)[C@@H](CCO)c1ccccc1 ZINC000929724598 1031591098 /nfs/dbraw/zinc/59/10/98/1031591098.db2.gz BNYSESBKOYRLFS-SFHVURJKSA-N 1 1 300.446 3.906 20 30 DHEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929772472 1031602324 /nfs/dbraw/zinc/60/23/24/1031602324.db2.gz PGPLOZKLTBBBNF-WCVRFRGQSA-N 1 1 318.486 3.747 20 30 DHEDMO CSc1nnc(SC)n1[NH+]=C[C@@H](C)CCc1ccccc1 ZINC000872417465 1031602958 /nfs/dbraw/zinc/60/29/58/1031602958.db2.gz CHUTUIAUOPRDSO-LBPRGKRZSA-N 1 1 320.487 3.825 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)CC1 ZINC000929929255 1031649948 /nfs/dbraw/zinc/64/99/48/1031649948.db2.gz GYOAUWVPWONJSH-TZJYRCSTSA-N 1 1 312.457 3.904 20 30 DHEDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000929974857 1031665559 /nfs/dbraw/zinc/66/55/59/1031665559.db2.gz JFNBVRFIYNWRIC-HNNXBMFYSA-N 1 1 323.481 3.696 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@H+](Cc3coc4ccccc34)CCO2)cc1 ZINC000897595612 1031677989 /nfs/dbraw/zinc/67/79/89/1031677989.db2.gz DIPYWJWMAMYXNP-FQEVSTJZSA-N 1 1 318.376 3.878 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@@H+](Cc3coc4ccccc34)CCO2)cc1 ZINC000897595612 1031678003 /nfs/dbraw/zinc/67/80/03/1031678003.db2.gz DIPYWJWMAMYXNP-FQEVSTJZSA-N 1 1 318.376 3.878 20 30 DHEDMO N#CC1CCC(C[N@H+](CCCO)Cc2cccc(Cl)c2)CC1 ZINC000930045103 1031684304 /nfs/dbraw/zinc/68/43/04/1031684304.db2.gz NPDVHXKSSRLBKB-UHFFFAOYSA-N 1 1 320.864 3.854 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCO[C@@](C)(c3ccc(C)cc3)C2)cc1 ZINC001144576980 1031725978 /nfs/dbraw/zinc/72/59/78/1031725978.db2.gz ZGTXJPMDDCRIAV-OAQYLSRUSA-N 1 1 305.421 3.724 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(C(F)(F)F)nc1 ZINC000873185852 1031749881 /nfs/dbraw/zinc/74/98/81/1031749881.db2.gz VNGRGVZQDXSLNC-JTQLQIEISA-N 1 1 323.293 3.962 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)CCC1 ZINC000930242264 1031754045 /nfs/dbraw/zinc/75/40/45/1031754045.db2.gz USIXPLYPYVLEGP-LJQANCHMSA-N 1 1 316.420 3.583 20 30 DHEDMO N#CC1(CCCC[N@H+]2CC[C@@H](OCc3ccncc3)C2)CCC1 ZINC000930292062 1031768919 /nfs/dbraw/zinc/76/89/19/1031768919.db2.gz GECBYYXKEIUKNG-GOSISDBHSA-N 1 1 313.445 3.537 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1 ZINC000930299071 1031772611 /nfs/dbraw/zinc/77/26/11/1031772611.db2.gz AOVCKMBNZHMPGC-DUBPFDJUSA-N 1 1 304.478 3.722 20 30 DHEDMO C#CC[C@H]([NH2+]Cc1cc(F)c(OC)cc1OC)c1ccccc1 ZINC000845944513 1031786210 /nfs/dbraw/zinc/78/62/10/1031786210.db2.gz CCWYWFNVVULUAI-KRWDZBQOSA-N 1 1 313.372 3.697 20 30 DHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)nnn2C ZINC001144637214 1031786400 /nfs/dbraw/zinc/78/64/00/1031786400.db2.gz PYKNJAIERYEVSU-UHFFFAOYSA-N 1 1 306.413 3.547 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@H+]([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171203681 1031789685 /nfs/dbraw/zinc/78/96/85/1031789685.db2.gz OVQIVPCOVIBWDB-QFBILLFUSA-N 1 1 320.436 3.987 20 30 DHEDMO C[C@@H]1C[C@@H](CCNc2cc(C#N)ccn2)C[N@H+]1Cc1ccccc1 ZINC000561282490 1031799984 /nfs/dbraw/zinc/79/99/84/1031799984.db2.gz TYRQKFAZAKYZRY-VQIMIIECSA-N 1 1 320.440 3.666 20 30 DHEDMO CSc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)s1 ZINC000846007080 1031804030 /nfs/dbraw/zinc/80/40/30/1031804030.db2.gz MTXQHVYBJZRRCC-OAHLLOKOSA-N 1 1 318.467 3.507 20 30 DHEDMO C[C@H](CC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000846006512 1031804578 /nfs/dbraw/zinc/80/45/78/1031804578.db2.gz IVAVVBYSBZMDPZ-OXQOHEQNSA-N 1 1 308.425 3.717 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](C)c1c(F)cncc1F ZINC000930473763 1031833415 /nfs/dbraw/zinc/83/34/15/1031833415.db2.gz BYWHNZTXRBRCPB-GFCCVEGCSA-N 1 1 301.340 3.699 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCC3(C2)Oc2ccccc2O3)CCC1 ZINC000930506365 1031851818 /nfs/dbraw/zinc/85/18/18/1031851818.db2.gz VIBYJPNMXPMXNJ-UHFFFAOYSA-N 1 1 312.413 3.724 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1OC ZINC000846108338 1031859271 /nfs/dbraw/zinc/85/92/71/1031859271.db2.gz PFNKSXQDUCXKLM-QGZVFWFLSA-N 1 1 323.383 3.881 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000930610305 1031886715 /nfs/dbraw/zinc/88/67/15/1031886715.db2.gz CNGVKNDFRXFUFF-KURKYZTESA-N 1 1 318.848 3.727 20 30 DHEDMO C=C[C@@H](CC)CC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000930665875 1031911648 /nfs/dbraw/zinc/91/16/48/1031911648.db2.gz IKDGGSPIRYHZGZ-AWEZNQCLSA-N 1 1 315.392 3.538 20 30 DHEDMO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1cncc(C#N)c1 ZINC000930762279 1031940720 /nfs/dbraw/zinc/94/07/20/1031940720.db2.gz WNBQQTICMXPZDR-UHFFFAOYSA-N 1 1 315.804 3.640 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000930809992 1031957256 /nfs/dbraw/zinc/95/72/56/1031957256.db2.gz FCRFGQPRSAXCNS-NVXWUHKLSA-N 1 1 304.821 3.603 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001171221124 1031957808 /nfs/dbraw/zinc/95/78/08/1031957808.db2.gz IJVCLQCAIPAPEE-LPHOPBHVSA-N 1 1 305.425 3.764 20 30 DHEDMO N#Cc1cncc(C[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)c1 ZINC000930824942 1031961669 /nfs/dbraw/zinc/96/16/69/1031961669.db2.gz HKYBJTHJJSFOPM-LJQANCHMSA-N 1 1 301.393 3.847 20 30 DHEDMO N#Cc1cncc(C[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)c1 ZINC000930824942 1031961671 /nfs/dbraw/zinc/96/16/71/1031961671.db2.gz HKYBJTHJJSFOPM-LJQANCHMSA-N 1 1 301.393 3.847 20 30 DHEDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC1CCC(C#N)CC1 ZINC000930844603 1031965832 /nfs/dbraw/zinc/96/58/32/1031965832.db2.gz FHBJIHABVHZYOI-PRLABOORSA-N 1 1 306.450 3.511 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361574142 1031994505 /nfs/dbraw/zinc/99/45/05/1031994505.db2.gz SNECWKOUBTXOQO-AWEZNQCLSA-N 1 1 304.393 3.872 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001171232655 1032005585 /nfs/dbraw/zinc/00/55/85/1032005585.db2.gz VBJJQWIDXXSVDF-FOIQADDNSA-N 1 1 324.399 3.782 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(=O)OC)c2cccnc12 ZINC000931062483 1032021737 /nfs/dbraw/zinc/02/17/37/1032021737.db2.gz JKTOTCOCYIVEPC-IYBDPMFKSA-N 1 1 322.408 3.704 20 30 DHEDMO C[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@@H](CC(F)(F)F)O1 ZINC000931073271 1032028230 /nfs/dbraw/zinc/02/82/30/1032028230.db2.gz NJZAQPRBFVDTCB-ZIAGYGMSSA-N 1 1 318.383 3.892 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@@H](CC(F)(F)F)O1 ZINC000931073271 1032028244 /nfs/dbraw/zinc/02/82/44/1032028244.db2.gz NJZAQPRBFVDTCB-ZIAGYGMSSA-N 1 1 318.383 3.892 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000931165106 1032055494 /nfs/dbraw/zinc/05/54/94/1032055494.db2.gz XHKXXICKXKKBPS-UHFFFAOYSA-N 1 1 320.440 3.647 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000931165106 1032055506 /nfs/dbraw/zinc/05/55/06/1032055506.db2.gz XHKXXICKXKKBPS-UHFFFAOYSA-N 1 1 320.440 3.647 20 30 DHEDMO CCC[C@@H]1CN(Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000539402284 1033347887 /nfs/dbraw/zinc/34/78/87/1033347887.db2.gz FRTXOLAQRYFNNE-GOSISDBHSA-N 1 1 323.440 3.638 20 30 DHEDMO C=CCCCC[N@H+](C)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172817303 1033379832 /nfs/dbraw/zinc/37/98/32/1033379832.db2.gz YIIANFFTYZENDH-SJPCQFCGSA-N 1 1 320.477 3.981 20 30 DHEDMO Cc1sc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1Br ZINC000877622179 1033385826 /nfs/dbraw/zinc/38/58/26/1033385826.db2.gz HVAFFOFEAYOBHU-LLVKDONJSA-N 1 1 313.264 3.945 20 30 DHEDMO Cc1sc(C[N@H+]2CCC[C@H](CC#N)C2)cc1Br ZINC000877622179 1033385838 /nfs/dbraw/zinc/38/58/38/1033385838.db2.gz HVAFFOFEAYOBHU-LLVKDONJSA-N 1 1 313.264 3.945 20 30 DHEDMO Cc1sc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1Br ZINC000877622180 1033385623 /nfs/dbraw/zinc/38/56/23/1033385623.db2.gz HVAFFOFEAYOBHU-NSHDSACASA-N 1 1 313.264 3.945 20 30 DHEDMO Cc1sc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1Br ZINC000877622180 1033385651 /nfs/dbraw/zinc/38/56/51/1033385651.db2.gz HVAFFOFEAYOBHU-NSHDSACASA-N 1 1 313.264 3.945 20 30 DHEDMO Cc1ccc2c(c1)C[C@H]([N@H+]1CCc3cc(C#N)ccc3C1)CC2 ZINC001172828474 1033393041 /nfs/dbraw/zinc/39/30/41/1033393041.db2.gz UCXVKQCVBYKJJD-OAQYLSRUSA-N 1 1 302.421 3.782 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1nc2c(s1)CCCC2 ZINC000877704154 1033418919 /nfs/dbraw/zinc/41/89/19/1033418919.db2.gz JFWCCJOECZLGQA-UHFFFAOYSA-N 1 1 311.454 3.568 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1 ZINC000877737577 1033428878 /nfs/dbraw/zinc/42/88/78/1033428878.db2.gz JKLHCCFZYPEERR-CVEARBPZSA-N 1 1 300.471 3.673 20 30 DHEDMO CCC(C#N)(CC)C(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000860646487 1033444188 /nfs/dbraw/zinc/44/41/88/1033444188.db2.gz HJVBRGSISNHQBX-KRWDZBQOSA-N 1 1 314.429 3.524 20 30 DHEDMO C[C@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1ccc(C#N)cc1 ZINC000478403322 1033471615 /nfs/dbraw/zinc/47/16/15/1033471615.db2.gz FANSZXUAXIJMPV-LBPRGKRZSA-N 1 1 324.815 3.949 20 30 DHEDMO C=CCCCC[N@H+](C)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001173005783 1033499939 /nfs/dbraw/zinc/49/99/39/1033499939.db2.gz FBJQDZBLGIPDIT-UHFFFAOYSA-N 1 1 318.436 3.718 20 30 DHEDMO CC[C@@H]1CCCC[N@H+]1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172992494 1033502116 /nfs/dbraw/zinc/50/21/16/1033502116.db2.gz YUVYJJDRGTUJHW-OAGGEKHMSA-N 1 1 321.465 3.543 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]([C@H](C)C1CC1)C1CC1)c1ccccc1 ZINC000877966876 1033535299 /nfs/dbraw/zinc/53/52/99/1033535299.db2.gz YHJJMUGLPAKIMA-QRWLVFNGSA-N 1 1 310.441 3.690 20 30 DHEDMO Cc1ccc(C[NH2+]Cc2ccc(C#N)o2)c(OCC(F)(F)F)c1 ZINC000153099916 1033560517 /nfs/dbraw/zinc/56/05/17/1033560517.db2.gz HJNRYKOSZGVWRE-UHFFFAOYSA-N 1 1 324.302 3.691 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@H](c2ccco2)C1)c1ccccc1 ZINC000878094758 1033576942 /nfs/dbraw/zinc/57/69/42/1033576942.db2.gz YDPLODZJHIPXAM-XLIONFOSSA-N 1 1 322.408 3.510 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H](c2ccco2)C1)c1ccccc1 ZINC000878094756 1033577032 /nfs/dbraw/zinc/57/70/32/1033577032.db2.gz YDPLODZJHIPXAM-FXAWDEMLSA-N 1 1 322.408 3.510 20 30 DHEDMO CC[C@H]1CCC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878113719 1033582260 /nfs/dbraw/zinc/58/22/60/1033582260.db2.gz MBSHFFGTWABQLM-AZUAARDMSA-N 1 1 312.457 3.939 20 30 DHEDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001173228653 1033605486 /nfs/dbraw/zinc/60/54/86/1033605486.db2.gz YNSQSUHWBOUVCJ-CQSZACIVSA-N 1 1 309.369 3.529 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CC[C@@H](CC)C1)CC2 ZINC001173273800 1033643749 /nfs/dbraw/zinc/64/37/49/1033643749.db2.gz BQQRSVLXQPTJNP-AOIWGVFYSA-N 1 1 304.478 3.598 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@H](CC)C1)[C@@H]2CC ZINC001173281782 1033670812 /nfs/dbraw/zinc/67/08/12/1033670812.db2.gz ZEKUXQKGOQYUEI-XFKSJGNHSA-N 1 1 318.505 3.987 20 30 DHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@H]1CC[C@H](CC)C1)C2 ZINC001173280639 1033671658 /nfs/dbraw/zinc/67/16/58/1033671658.db2.gz NDCQQHHHPQQRST-JENIJYKNSA-N 1 1 304.478 3.598 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@H](C(C)(C)C)C1)c1ccccc1 ZINC000878404782 1033691949 /nfs/dbraw/zinc/69/19/49/1033691949.db2.gz JGPFBFRDMQOXCH-ICSRJNTNSA-N 1 1 312.457 3.795 20 30 DHEDMO C#CC[N@H+]([C@H](C)CCCCC(=O)OC)[C@@H]1CCc2ccccc21 ZINC001173454044 1033748583 /nfs/dbraw/zinc/74/85/83/1033748583.db2.gz AMBCECHRJDJWES-VQIMIIECSA-N 1 1 313.441 3.731 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H](C2CC2)C1)c1ccccc1 ZINC000878621540 1033769849 /nfs/dbraw/zinc/76/98/49/1033769849.db2.gz CUGDCAAJHKNUSM-UYAOXDASSA-N 1 1 310.441 3.549 20 30 DHEDMO C[C@H]1CN(Cc2ccccc2)CC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173596180 1033779842 /nfs/dbraw/zinc/77/98/42/1033779842.db2.gz MQDUQINCRQSLSG-KKXNLOMOSA-N 1 1 311.473 3.665 20 30 DHEDMO COc1ccccc1O[C@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596426 1033782523 /nfs/dbraw/zinc/78/25/23/1033782523.db2.gz WULMMJXLUBUDLP-WUJZJPHMSA-N 1 1 314.429 3.621 20 30 DHEDMO Cc1cccnc1O[C@@H]1CCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596744 1033784962 /nfs/dbraw/zinc/78/49/62/1033784962.db2.gz CEMQYBWPTLHUQU-TVRKMHQQSA-N 1 1 313.445 3.706 20 30 DHEDMO CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173600799 1033786441 /nfs/dbraw/zinc/78/64/41/1033786441.db2.gz JMGSZJOWPJKTSV-SYJJWHGVSA-N 1 1 306.450 3.513 20 30 DHEDMO CC1(C#N)CCC([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173600308 1033786676 /nfs/dbraw/zinc/78/66/76/1033786676.db2.gz YZZKVWAPGGNDMR-WHSGIHJSSA-N 1 1 323.484 3.523 20 30 DHEDMO CC1(C#N)CCC([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173600308 1033786689 /nfs/dbraw/zinc/78/66/89/1033786689.db2.gz YZZKVWAPGGNDMR-WHSGIHJSSA-N 1 1 323.484 3.523 20 30 DHEDMO CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](CCC#N)Cc2ccccc2)C1 ZINC001173635527 1033803046 /nfs/dbraw/zinc/80/30/46/1033803046.db2.gz AWRRDQMWHJOVQO-QZTJIDSGSA-N 1 1 314.429 3.524 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000878760152 1033822373 /nfs/dbraw/zinc/82/23/73/1033822373.db2.gz FJEATAYIHLURBU-OAHLLOKOSA-N 1 1 310.397 3.586 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3OC)n2)C1 ZINC000878760040 1033823130 /nfs/dbraw/zinc/82/31/30/1033823130.db2.gz FFODFCDQYWGPEP-HNNXBMFYSA-N 1 1 310.397 3.586 20 30 DHEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000479628796 1033839127 /nfs/dbraw/zinc/83/91/27/1033839127.db2.gz YMYHVEXWADPBJR-AEFFLSMTSA-N 1 1 312.457 3.685 20 30 DHEDMO C#CC[N@H+](C)[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173713631 1033842439 /nfs/dbraw/zinc/84/24/39/1033842439.db2.gz NPZSLYBVWZSRPH-FQEVSTJZSA-N 1 1 305.421 3.688 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(OC(=O)CC)c(OCC)c2)C1 ZINC000862441519 1033855915 /nfs/dbraw/zinc/85/59/15/1033855915.db2.gz SFNFTXYIUPSCPX-HNNXBMFYSA-N 1 1 317.429 3.799 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1 ZINC000862444301 1033858370 /nfs/dbraw/zinc/85/83/70/1033858370.db2.gz UXVKOZUVFBKORD-HZSPNIEDSA-N 1 1 308.372 3.701 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000862445261 1033859153 /nfs/dbraw/zinc/85/91/53/1033859153.db2.gz PFTVHVVNWPSCMX-CQSZACIVSA-N 1 1 310.353 3.700 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878915251 1033865900 /nfs/dbraw/zinc/86/59/00/1033865900.db2.gz RMNYKOWWUFHYQR-AZUAARDMSA-N 1 1 310.441 3.715 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878991858 1033886939 /nfs/dbraw/zinc/88/69/39/1033886939.db2.gz PFQDJVCXMJGKJF-ZCNNSNEGSA-N 1 1 308.425 3.610 20 30 DHEDMO C[N@@H+]1CCc2c(C#N)c(Nc3c(F)cccc3F)sc2C1 ZINC001173859267 1033891090 /nfs/dbraw/zinc/89/10/90/1033891090.db2.gz NSESGVDHNPYHNC-UHFFFAOYSA-N 1 1 305.353 3.629 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3c(F)cccc3F)sc2C1 ZINC001173859267 1033891096 /nfs/dbraw/zinc/89/10/96/1033891096.db2.gz NSESGVDHNPYHNC-UHFFFAOYSA-N 1 1 305.353 3.629 20 30 DHEDMO CC1(C)C[C@@H](C[N@H+]2CCc3c(CC#N)cccc3C2)C(C)(C)O1 ZINC000879064345 1033911707 /nfs/dbraw/zinc/91/17/07/1033911707.db2.gz COLPKRIURUAZCH-KRWDZBQOSA-N 1 1 312.457 3.704 20 30 DHEDMO COc1ccc(Nc2ccc(-n3cc[nH+]c3C)cc2)c(C#N)c1 ZINC001212783315 1033917801 /nfs/dbraw/zinc/91/78/01/1033917801.db2.gz CNANYNGADUWCRQ-UHFFFAOYSA-N 1 1 304.353 3.805 20 30 DHEDMO CC(C)([NH2+]CC1(CC#N)CC1)c1nc2cc(Cl)ccc2o1 ZINC000879159784 1033939104 /nfs/dbraw/zinc/93/91/04/1033939104.db2.gz LCRGSBRZMOLGBC-UHFFFAOYSA-N 1 1 303.793 4.000 20 30 DHEDMO COc1ccc(C[NH2+][C@@H](c2nc(C)cs2)C2CC2)cc1C#N ZINC000174541734 1033942115 /nfs/dbraw/zinc/94/21/15/1033942115.db2.gz OLWVFIJSAZNZAZ-MRXNPFEDSA-N 1 1 313.426 3.573 20 30 DHEDMO CC(C)n1cnnc1[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000174556510 1033943893 /nfs/dbraw/zinc/94/38/93/1033943893.db2.gz FMJRAWAAJKSENU-YJBOKZPZSA-N 1 1 323.444 3.671 20 30 DHEDMO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@H]3CCC[C@H]3C#N)c2cc1C ZINC000879311190 1033978933 /nfs/dbraw/zinc/97/89/33/1033978933.db2.gz NZZOLGZQRYLCMR-YOEHRIQHSA-N 1 1 310.397 3.534 20 30 DHEDMO Cc1cc2oc(=O)cc(C[N@H+](C)[C@H]3CCC[C@H]3C#N)c2cc1C ZINC000879311190 1033978949 /nfs/dbraw/zinc/97/89/49/1033978949.db2.gz NZZOLGZQRYLCMR-YOEHRIQHSA-N 1 1 310.397 3.534 20 30 DHEDMO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@@H]3CCC[C@@H]3C#N)c2cc1C ZINC000879311188 1033980117 /nfs/dbraw/zinc/98/01/17/1033980117.db2.gz NZZOLGZQRYLCMR-RHSMWYFYSA-N 1 1 310.397 3.534 20 30 DHEDMO Cc1cc2oc(=O)cc(C[N@H+](C)[C@@H]3CCC[C@@H]3C#N)c2cc1C ZINC000879311188 1033980130 /nfs/dbraw/zinc/98/01/30/1033980130.db2.gz NZZOLGZQRYLCMR-RHSMWYFYSA-N 1 1 310.397 3.534 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc4[nH]ccc4c3)sc2C1 ZINC001173937013 1033998812 /nfs/dbraw/zinc/99/88/12/1033998812.db2.gz ZWRQQPIBYJBVBK-UHFFFAOYSA-N 1 1 308.410 3.833 20 30 DHEDMO COc1ccc(C)cc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001173982978 1034015540 /nfs/dbraw/zinc/01/55/40/1034015540.db2.gz UADGBKKXAMNKNM-UHFFFAOYSA-N 1 1 313.426 3.668 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1CC(C)(C)OC1(C)C ZINC000879432038 1034015449 /nfs/dbraw/zinc/01/54/49/1034015449.db2.gz AFSKESPFTBBGQU-KRWDZBQOSA-N 1 1 300.446 3.626 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@@H](O)c1cc2ccccc2o1 ZINC000879432577 1034015926 /nfs/dbraw/zinc/01/59/26/1034015926.db2.gz MJUKFASJPQRQHV-GOSISDBHSA-N 1 1 320.392 3.512 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000879495710 1034029896 /nfs/dbraw/zinc/02/98/96/1034029896.db2.gz UBPGBELQTHPTLL-UHFFFAOYSA-N 1 1 315.461 3.753 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cc1F ZINC000626125963 1034043911 /nfs/dbraw/zinc/04/39/11/1034043911.db2.gz CYOZYDLHIMMKPO-GOSISDBHSA-N 1 1 309.384 3.675 20 30 DHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc(CC#N)cc3)C2)[nH]n1 ZINC000879918900 1034159663 /nfs/dbraw/zinc/15/96/63/1034159663.db2.gz JXALDXGSBOXBFG-SFHVURJKSA-N 1 1 322.456 3.979 20 30 DHEDMO CC(C)c1cc([C@H]2CCC[N@H+](Cc3ccc(CC#N)cc3)C2)n[nH]1 ZINC000879918900 1034159670 /nfs/dbraw/zinc/15/96/70/1034159670.db2.gz JXALDXGSBOXBFG-SFHVURJKSA-N 1 1 322.456 3.979 20 30 DHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc(CC#N)cc3)C2)n[nH]1 ZINC000879918900 1034159678 /nfs/dbraw/zinc/15/96/78/1034159678.db2.gz JXALDXGSBOXBFG-SFHVURJKSA-N 1 1 322.456 3.979 20 30 DHEDMO Cc1nc(-c2ccccc2)sc1C[NH2+]C[C@H](C#N)CCC#N ZINC000554487776 1034174120 /nfs/dbraw/zinc/17/41/20/1034174120.db2.gz KLPOSLIVGDHDPN-AWEZNQCLSA-N 1 1 310.426 3.652 20 30 DHEDMO Cc1csc([C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC000880008587 1034179662 /nfs/dbraw/zinc/17/96/62/1034179662.db2.gz UPLDGLWXWAEGGU-HNNXBMFYSA-N 1 1 316.857 3.946 20 30 DHEDMO CC(=O)Nc1ccc2c(c1)C[N@@H+]([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000880030230 1034192633 /nfs/dbraw/zinc/19/26/33/1034192633.db2.gz JLAZXWOJKVQEMZ-AWEZNQCLSA-N 1 1 319.408 3.636 20 30 DHEDMO C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)[C@H]1CC[C@H](C#N)C1 ZINC000880124841 1034216636 /nfs/dbraw/zinc/21/66/36/1034216636.db2.gz OPJUTXHJBWMXRA-HOTGVXAUSA-N 1 1 323.481 3.696 20 30 DHEDMO CSCCO[NH+]=C(C)c1ccc(N2CCCCC2)c(F)c1 ZINC000794572179 1034228492 /nfs/dbraw/zinc/22/84/92/1034228492.db2.gz LLCOPSUVDJAHMB-UHFFFAOYSA-N 1 1 310.438 3.920 20 30 DHEDMO CSCCON=C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000794574538 1034232407 /nfs/dbraw/zinc/23/24/07/1034232407.db2.gz ILIDVXXYRJAIBU-UHFFFAOYSA-N 1 1 312.866 3.671 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880320301 1034296251 /nfs/dbraw/zinc/29/62/51/1034296251.db2.gz RRJIAIODWNTOOI-GFCCVEGCSA-N 1 1 303.818 3.658 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880320301 1034296259 /nfs/dbraw/zinc/29/62/59/1034296259.db2.gz RRJIAIODWNTOOI-GFCCVEGCSA-N 1 1 303.818 3.658 20 30 DHEDMO N#Cc1ncc(Cl)cc1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174394363 1034320139 /nfs/dbraw/zinc/32/01/39/1034320139.db2.gz HHQJHYXQTVOFNO-UHFFFAOYSA-N 1 1 324.815 3.808 20 30 DHEDMO N#Cc1ccc(F)cc1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174397435 1034327417 /nfs/dbraw/zinc/32/74/17/1034327417.db2.gz ZPDXWMMBIRAUEP-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1cc(C)cs1)C2 ZINC001137154346 1034339338 /nfs/dbraw/zinc/33/93/38/1034339338.db2.gz DYRLSDGUPUFICJ-ZWKOTPCHSA-N 1 1 321.486 3.630 20 30 DHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cc(C)cs1)CCO2 ZINC001137156178 1034346122 /nfs/dbraw/zinc/34/61/22/1034346122.db2.gz WLJDWYIQXSYWHH-FUHWJXTLSA-N 1 1 321.486 3.630 20 30 DHEDMO Cc1cc(F)cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001174527277 1034444093 /nfs/dbraw/zinc/44/40/93/1034444093.db2.gz CWMYZDSJONHIEA-UHFFFAOYSA-N 1 1 301.390 3.799 20 30 DHEDMO CC(C)OC(=O)C[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000184494950 1034481233 /nfs/dbraw/zinc/48/12/33/1034481233.db2.gz QFCSHPLSHCEFMB-DOTOQJQBSA-N 1 1 314.429 3.673 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c(Br)c1 ZINC000481030054 1034561366 /nfs/dbraw/zinc/56/13/66/1034561366.db2.gz DMMFDQRIJWQFOL-OKILXGFUSA-N 1 1 319.246 3.943 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001174892083 1034664005 /nfs/dbraw/zinc/66/40/05/1034664005.db2.gz ZNCVAZQCNKEPMO-LBPRGKRZSA-N 1 1 312.335 3.542 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC001174892082 1034665237 /nfs/dbraw/zinc/66/52/37/1034665237.db2.gz ZNCVAZQCNKEPMO-GFCCVEGCSA-N 1 1 312.335 3.542 20 30 DHEDMO C=CCOCC[N@H+]1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000555380203 1034666982 /nfs/dbraw/zinc/66/69/82/1034666982.db2.gz FHCHGRHOERBDCR-OAQYLSRUSA-N 1 1 323.436 3.997 20 30 DHEDMO C=C(C)C[N@@H+](C)Cc1c(C(=O)OC)sc2cccc(F)c21 ZINC000481260919 1034695125 /nfs/dbraw/zinc/69/51/25/1034695125.db2.gz TUQCPTQRRXDTLP-UHFFFAOYSA-N 1 1 307.390 3.835 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1c(C(=O)OC)sc2cccc(F)c21 ZINC000481260919 1034695131 /nfs/dbraw/zinc/69/51/31/1034695131.db2.gz TUQCPTQRRXDTLP-UHFFFAOYSA-N 1 1 307.390 3.835 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000187694380 1034724361 /nfs/dbraw/zinc/72/43/61/1034724361.db2.gz OWNXFYJLWNTILB-HNNXBMFYSA-N 1 1 309.475 3.829 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000188494487 1034744446 /nfs/dbraw/zinc/74/44/46/1034744446.db2.gz OSBHQJFDDHTHQD-KPFFTGBYSA-N 1 1 314.473 3.758 20 30 DHEDMO C[C@H]1C[C@@H](NCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000080339211 1034842159 /nfs/dbraw/zinc/84/21/59/1034842159.db2.gz ACZPYAAOUGFQFV-UWJYYQICSA-N 1 1 319.452 3.701 20 30 DHEDMO C[C@H]1C[C@@H](NCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080339211 1034842168 /nfs/dbraw/zinc/84/21/68/1034842168.db2.gz ACZPYAAOUGFQFV-UWJYYQICSA-N 1 1 319.452 3.701 20 30 DHEDMO C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000080339209 1034842717 /nfs/dbraw/zinc/84/27/17/1034842717.db2.gz ACZPYAAOUGFQFV-UTKZUKDTSA-N 1 1 319.452 3.701 20 30 DHEDMO C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080339209 1034842732 /nfs/dbraw/zinc/84/27/32/1034842732.db2.gz ACZPYAAOUGFQFV-UTKZUKDTSA-N 1 1 319.452 3.701 20 30 DHEDMO C[N@H+](CCCOc1cccc(C#N)c1)Cc1c(F)cccc1F ZINC000555649836 1034850609 /nfs/dbraw/zinc/85/06/09/1034850609.db2.gz AEGWSLMLFBJPLY-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1c(F)cccc1F ZINC000555649836 1034850612 /nfs/dbraw/zinc/85/06/12/1034850612.db2.gz AEGWSLMLFBJPLY-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)NCCCCC)c1ccc(F)c(F)c1 ZINC000481600030 1034896313 /nfs/dbraw/zinc/89/63/13/1034896313.db2.gz QEGJUTKTVPNJLB-DYVFJYSZSA-N 1 1 324.415 3.867 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)cc1 ZINC001175301338 1034900549 /nfs/dbraw/zinc/90/05/49/1034900549.db2.gz REUATUQMZZDSPW-NRSPTQNISA-N 1 1 318.420 3.824 20 30 DHEDMO COc1cc(Cl)ccc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC001175533399 1035029257 /nfs/dbraw/zinc/02/92/57/1035029257.db2.gz WGHTXMPKGMBJJH-UHFFFAOYSA-N 1 1 314.816 3.895 20 30 DHEDMO Cc1ccc(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)cc1C#N ZINC001175698216 1035071188 /nfs/dbraw/zinc/07/11/88/1035071188.db2.gz MKYBVVVXHBVHAD-LJQANCHMSA-N 1 1 312.457 3.895 20 30 DHEDMO N#Cc1ccc(CO[NH+]=C(N)CCc2ccccc2)c(Cl)c1 ZINC000783984343 1035100217 /nfs/dbraw/zinc/10/02/17/1035100217.db2.gz LCPYCUNYFUNJRO-UHFFFAOYSA-N 1 1 313.788 3.843 20 30 DHEDMO COc1cc(Cl)ccc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000482652215 1035156274 /nfs/dbraw/zinc/15/62/74/1035156274.db2.gz BKPRYRYVQZIUAT-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO COc1cc(Cl)ccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000482652215 1035156277 /nfs/dbraw/zinc/15/62/77/1035156277.db2.gz BKPRYRYVQZIUAT-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC001176069671 1035189900 /nfs/dbraw/zinc/18/99/00/1035189900.db2.gz KEJLCYFZWCCMIO-ZDUSSCGKSA-N 1 1 300.402 3.794 20 30 DHEDMO C#CC[C@H]1CC[N@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001176070156 1035190780 /nfs/dbraw/zinc/19/07/80/1035190780.db2.gz NCVSIZOXIVGRPE-QFIPXVFZSA-N 1 1 324.512 3.676 20 30 DHEDMO C#CC[C@H]1CC[N@@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001176070156 1035190782 /nfs/dbraw/zinc/19/07/82/1035190782.db2.gz NCVSIZOXIVGRPE-QFIPXVFZSA-N 1 1 324.512 3.676 20 30 DHEDMO C#CC[N@H+](CC(CC)CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176129745 1035211261 /nfs/dbraw/zinc/21/12/61/1035211261.db2.gz JZLMYSBAWAKHTB-UHFFFAOYSA-N 1 1 322.493 3.757 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C(C)(C)C ZINC001176281779 1035233180 /nfs/dbraw/zinc/23/31/80/1035233180.db2.gz PSTYOHWKGNHJAK-UHFFFAOYSA-N 1 1 308.425 3.894 20 30 DHEDMO C#CC[N@@H+](Cc1nc2cc(Br)ccc2o1)C(C)(C)C ZINC001176281891 1035233499 /nfs/dbraw/zinc/23/34/99/1035233499.db2.gz QXQSLWSZWALZAS-UHFFFAOYSA-N 1 1 321.218 3.824 20 30 DHEDMO CC(C)(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000483237841 1035244000 /nfs/dbraw/zinc/24/40/00/1035244000.db2.gz BQBPNPOIFNCFDG-MRXNPFEDSA-N 1 1 313.445 3.645 20 30 DHEDMO CC1=C(C)C[N@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000483386463 1035265245 /nfs/dbraw/zinc/26/52/45/1035265245.db2.gz RGQFYFOMLMSGIC-UHFFFAOYSA-N 1 1 305.219 3.863 20 30 DHEDMO CC1=C(C)C[N@@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000483386463 1035265248 /nfs/dbraw/zinc/26/52/48/1035265248.db2.gz RGQFYFOMLMSGIC-UHFFFAOYSA-N 1 1 305.219 3.863 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000483612683 1035283290 /nfs/dbraw/zinc/28/32/90/1035283290.db2.gz CWIRDESREHHQOW-CYBMUJFWSA-N 1 1 300.229 3.679 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000483612683 1035283295 /nfs/dbraw/zinc/28/32/95/1035283295.db2.gz CWIRDESREHHQOW-CYBMUJFWSA-N 1 1 300.229 3.679 20 30 DHEDMO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000483965227 1035313487 /nfs/dbraw/zinc/31/34/87/1035313487.db2.gz YTFYRDVOJATDQY-IBGZPJMESA-N 1 1 321.395 3.772 20 30 DHEDMO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000483965227 1035313492 /nfs/dbraw/zinc/31/34/92/1035313492.db2.gz YTFYRDVOJATDQY-IBGZPJMESA-N 1 1 321.395 3.772 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001176813910 1035331042 /nfs/dbraw/zinc/33/10/42/1035331042.db2.gz IAYBVCKFPZQKSR-HZPDHXFCSA-N 1 1 308.466 3.674 20 30 DHEDMO CC(C)c1ccc2c(c1)CC[N@H+](C[C@H](O)CC1(C#N)CCC1)C2 ZINC001177027492 1035344432 /nfs/dbraw/zinc/34/44/32/1035344432.db2.gz LTZCFUFBHJVMBS-LJQANCHMSA-N 1 1 312.457 3.613 20 30 DHEDMO N#Cc1ccc(Br)c(C[NH2+]Cc2ccc(F)cc2)c1 ZINC001177092655 1035349706 /nfs/dbraw/zinc/34/97/06/1035349706.db2.gz IOGFESKKORILFD-UHFFFAOYSA-N 1 1 319.177 3.750 20 30 DHEDMO C=C[C@@H](CC)Cc1nc(CCCCn2c[nH+]c(C)c2C)no1 ZINC000904102119 1035363626 /nfs/dbraw/zinc/36/36/26/1035363626.db2.gz IDTZXFSOZHTVJC-HNNXBMFYSA-N 1 1 302.422 3.661 20 30 DHEDMO CC[C@H](CSC)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000773700752 1035386148 /nfs/dbraw/zinc/38/61/48/1035386148.db2.gz AGFQLEULXFCOCE-CQSZACIVSA-N 1 1 312.866 3.816 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc3cc(OC)ccc3n2)no1 ZINC000904531559 1035422995 /nfs/dbraw/zinc/42/29/95/1035422995.db2.gz OFIZLDSEMNIJKE-CQSZACIVSA-N 1 1 324.384 3.650 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccnc(O[C@H](C)CC)c2)no1 ZINC000904629242 1035437915 /nfs/dbraw/zinc/43/79/15/1035437915.db2.gz VFUBJRSVIKKNHQ-OCCSQVGLSA-N 1 1 316.405 3.665 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccccc2Br)no1 ZINC000904682440 1035441077 /nfs/dbraw/zinc/44/10/77/1035441077.db2.gz KQVAHVVYFFHDOS-LBPRGKRZSA-N 1 1 322.206 3.855 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3ccc(F)c(F)c3F)CC2)c1 ZINC001178700622 1035443684 /nfs/dbraw/zinc/44/36/84/1035443684.db2.gz VXRKAWWCVKFIOG-UHFFFAOYSA-N 1 1 302.299 3.754 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(C[C@]2(C)CC2(Cl)Cl)no1 ZINC000904735751 1035449664 /nfs/dbraw/zinc/44/96/64/1035449664.db2.gz YOXBXMAARGFMQM-BXKDBHETSA-N 1 1 304.221 3.552 20 30 DHEDMO C#C[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1OCC)[C@H]1CCCO1 ZINC000775571343 1035567428 /nfs/dbraw/zinc/56/74/28/1035567428.db2.gz FTRUHEVZVFZTKX-ISTRZQFTSA-N 1 1 307.821 3.570 20 30 DHEDMO C#C[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1OCC)[C@@H]1CCCO1 ZINC000775571345 1035568611 /nfs/dbraw/zinc/56/86/11/1035568611.db2.gz FTRUHEVZVFZTKX-PVUWLOKVSA-N 1 1 307.821 3.570 20 30 DHEDMO C#CC[N@H+](Cc1cccc(F)c1OC(F)(F)F)CC1CC1 ZINC001180117623 1035601186 /nfs/dbraw/zinc/60/11/86/1035601186.db2.gz ZOOBTHJSDPPNLC-UHFFFAOYSA-N 1 1 301.283 3.570 20 30 DHEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC001193460208 1035635810 /nfs/dbraw/zinc/63/58/10/1035635810.db2.gz KUCXTJGSZCKEKE-IAGOWNOFSA-N 1 1 316.445 3.846 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccc2oc(=O)oc2c1 ZINC001180279853 1035643316 /nfs/dbraw/zinc/64/33/16/1035643316.db2.gz CYNJCYWGAOQHPN-UHFFFAOYSA-N 1 1 309.365 3.617 20 30 DHEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1cc2ccccc2cc1C#N ZINC000905918360 1035701845 /nfs/dbraw/zinc/70/18/45/1035701845.db2.gz YFBVCGZCYAAQMZ-GOSISDBHSA-N 1 1 307.397 3.523 20 30 DHEDMO COc1ccc([C@H](C)C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000539407990 1035723411 /nfs/dbraw/zinc/72/34/11/1035723411.db2.gz TVUMIQHJRSJHPB-CQSZACIVSA-N 1 1 312.388 3.941 20 30 DHEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC001193870643 1035762629 /nfs/dbraw/zinc/76/26/29/1035762629.db2.gz HAZRYYGMQKKNFN-KRWDZBQOSA-N 1 1 306.837 3.993 20 30 DHEDMO C#C[C@H](C)N(C)C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001193919562 1035772962 /nfs/dbraw/zinc/77/29/62/1035772962.db2.gz BFQHRIBLRXHPJX-UGKGYDQZSA-N 1 1 320.480 3.856 20 30 DHEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000494693088 1035776321 /nfs/dbraw/zinc/77/63/21/1035776321.db2.gz ZLLMLSUOMQJWEW-OAHLLOKOSA-N 1 1 310.397 3.924 20 30 DHEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000494693088 1035776332 /nfs/dbraw/zinc/77/63/32/1035776332.db2.gz ZLLMLSUOMQJWEW-OAHLLOKOSA-N 1 1 310.397 3.924 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491264841 1035781474 /nfs/dbraw/zinc/78/14/74/1035781474.db2.gz BJQLIQGNFZMCCX-OAHLLOKOSA-N 1 1 316.470 3.635 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccccc2CC(C)C)n1 ZINC001194010125 1035795861 /nfs/dbraw/zinc/79/58/61/1035795861.db2.gz TVAQQVJLHILYQD-UHFFFAOYSA-N 1 1 309.457 3.737 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccccc2CC(C)C)n1 ZINC001194010125 1035795876 /nfs/dbraw/zinc/79/58/76/1035795876.db2.gz TVAQQVJLHILYQD-UHFFFAOYSA-N 1 1 309.457 3.737 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000539826377 1035881662 /nfs/dbraw/zinc/88/16/62/1035881662.db2.gz PVJWLMUXUQILAP-UHFFFAOYSA-N 1 1 324.380 3.718 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000539826377 1035881678 /nfs/dbraw/zinc/88/16/78/1035881678.db2.gz PVJWLMUXUQILAP-UHFFFAOYSA-N 1 1 324.380 3.718 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)cc1 ZINC001204304403 1035974738 /nfs/dbraw/zinc/97/47/38/1035974738.db2.gz GARVQXPNRQCOPE-LJQANCHMSA-N 1 1 309.409 3.687 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1COc1ccccc1 ZINC001194682948 1035992478 /nfs/dbraw/zinc/99/24/78/1035992478.db2.gz JFPHSARJNSCCNT-IBGZPJMESA-N 1 1 306.409 3.910 20 30 DHEDMO CCCCC[N@@H+](C)CCC(=O)Nc1c(C#N)oc2ccccc21 ZINC001181859849 1036019608 /nfs/dbraw/zinc/01/96/08/1036019608.db2.gz SMNBNOCSEKKORI-UHFFFAOYSA-N 1 1 313.401 3.755 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000540297849 1036030487 /nfs/dbraw/zinc/03/04/87/1036030487.db2.gz QPSVPXBMHJVFHI-CYBMUJFWSA-N 1 1 324.852 3.964 20 30 DHEDMO CCCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCCO ZINC000540426466 1036065400 /nfs/dbraw/zinc/06/54/00/1036065400.db2.gz GNKZFTAVSRBQBB-UHFFFAOYSA-N 1 1 313.363 3.541 20 30 DHEDMO C[C@@H]([NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000540706893 1036132069 /nfs/dbraw/zinc/13/20/69/1036132069.db2.gz JKGUYEDBTQUBEO-CLCXKQKWSA-N 1 1 317.452 3.858 20 30 DHEDMO CCC(CC)[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)N(C)C ZINC000540709726 1036140813 /nfs/dbraw/zinc/14/08/13/1036140813.db2.gz KFMODCMOXZKZOT-ACJLOTCBSA-N 1 1 305.441 3.714 20 30 DHEDMO C=CCC[C@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000495010114 1036184005 /nfs/dbraw/zinc/18/40/05/1036184005.db2.gz WIHWSZOSCRAVIG-MJGOQNOKSA-N 1 1 314.473 3.727 20 30 DHEDMO CC(C)[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC1CC1 ZINC000540914266 1036194623 /nfs/dbraw/zinc/19/46/23/1036194623.db2.gz ZSKYNMVXBPLZAO-UHFFFAOYSA-N 1 1 308.429 3.579 20 30 DHEDMO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC001195426386 1036253970 /nfs/dbraw/zinc/25/39/70/1036253970.db2.gz NYRBRCPERVQWIA-OTWHNJEPSA-N 1 1 312.457 3.740 20 30 DHEDMO C#C[C@H]([NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O)[C@@H]1CCCO1 ZINC000774364631 1036300812 /nfs/dbraw/zinc/30/08/12/1036300812.db2.gz SZXICWRTLKNUPE-DVJZZOLTSA-N 1 1 314.212 3.530 20 30 DHEDMO C#C[C@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)[C@H]1CCCO1 ZINC000774364633 1036300899 /nfs/dbraw/zinc/30/08/99/1036300899.db2.gz SZXICWRTLKNUPE-DYQSUWPFSA-N 1 1 314.212 3.530 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC001195946701 1036400558 /nfs/dbraw/zinc/40/05/58/1036400558.db2.gz MMYDVVUCGYLTLY-PBHICJAKSA-N 1 1 318.848 3.733 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC001182604587 1036408063 /nfs/dbraw/zinc/40/80/63/1036408063.db2.gz IOOLTDYVGIMGFP-AWEZNQCLSA-N 1 1 312.438 3.664 20 30 DHEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C#N)c(C)c1 ZINC000486793456 1036411982 /nfs/dbraw/zinc/41/19/82/1036411982.db2.gz JAAQQXFKVGSNFV-UHFFFAOYSA-N 1 1 308.381 3.618 20 30 DHEDMO C=C(C)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486832526 1036424679 /nfs/dbraw/zinc/42/46/79/1036424679.db2.gz HIWWGBTUPXASNN-VQIMIIECSA-N 1 1 309.413 3.666 20 30 DHEDMO CC#CCCCCCCCC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001182771468 1036453763 /nfs/dbraw/zinc/45/37/63/1036453763.db2.gz AHXJVLIJSMFSPA-RBUKOAKNSA-N 1 1 320.521 3.975 20 30 DHEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H](C)OC ZINC000542001595 1036487997 /nfs/dbraw/zinc/48/79/97/1036487997.db2.gz SBCMLQQONZKUDG-LLVKDONJSA-N 1 1 316.214 3.611 20 30 DHEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](C)OC ZINC000542001595 1036488006 /nfs/dbraw/zinc/48/80/06/1036488006.db2.gz SBCMLQQONZKUDG-LLVKDONJSA-N 1 1 316.214 3.611 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC001196313338 1036495829 /nfs/dbraw/zinc/49/58/29/1036495829.db2.gz SXTZGFCGVGILKY-HKUYNNGSSA-N 1 1 310.441 3.651 20 30 DHEDMO CCCC[N@@H+](C)CC1CCN(c2nc(C)cc(C)c2C#N)CC1 ZINC000486983991 1036500343 /nfs/dbraw/zinc/50/03/43/1036500343.db2.gz XECATKNOLNMEAI-UHFFFAOYSA-N 1 1 314.477 3.518 20 30 DHEDMO C[C@@H]1COC2(CCCC2)C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001196402771 1036520932 /nfs/dbraw/zinc/52/09/32/1036520932.db2.gz NXRUDMSQTUUTJS-OAHLLOKOSA-N 1 1 303.833 3.725 20 30 DHEDMO C[C@@H]1COC2(CCCC2)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001196402771 1036520945 /nfs/dbraw/zinc/52/09/45/1036520945.db2.gz NXRUDMSQTUUTJS-OAHLLOKOSA-N 1 1 303.833 3.725 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000774603414 1036545041 /nfs/dbraw/zinc/54/50/41/1036545041.db2.gz SDFAEDSNYNQWOY-HZPDHXFCSA-N 1 1 310.482 3.920 20 30 DHEDMO C#CC(C)(C)[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000491537430 1036592895 /nfs/dbraw/zinc/59/28/95/1036592895.db2.gz QPUHOZHFHWKHQM-UHFFFAOYSA-N 1 1 313.228 3.666 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000491664974 1036624318 /nfs/dbraw/zinc/62/43/18/1036624318.db2.gz IHYDQSBPESMFRQ-INIZCTEOSA-N 1 1 306.409 3.636 20 30 DHEDMO Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC001196832918 1036624919 /nfs/dbraw/zinc/62/49/19/1036624919.db2.gz ONJQWBDIZAGCMT-SWLSCSKDSA-N 1 1 307.235 3.882 20 30 DHEDMO Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC001196832918 1036624925 /nfs/dbraw/zinc/62/49/25/1036624925.db2.gz ONJQWBDIZAGCMT-SWLSCSKDSA-N 1 1 307.235 3.882 20 30 DHEDMO C=CCOCC[N@H+](C)Cc1ccccc1OCc1ccccc1 ZINC001196888854 1036631890 /nfs/dbraw/zinc/63/18/90/1036631890.db2.gz PEMNJPXGXOBSBR-UHFFFAOYSA-N 1 1 311.425 3.900 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000491786419 1036636573 /nfs/dbraw/zinc/63/65/73/1036636573.db2.gz OQDAOLMPXVQHAX-OAHLLOKOSA-N 1 1 308.429 3.514 20 30 DHEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc2cc[nH]c2c1 ZINC001197204575 1036707609 /nfs/dbraw/zinc/70/76/09/1036707609.db2.gz ZRYMIVCKYFURBJ-UHFFFAOYSA-N 1 1 305.381 3.550 20 30 DHEDMO C=CCCCCC[C@@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)n[nH]1 ZINC001184002790 1036728254 /nfs/dbraw/zinc/72/82/54/1036728254.db2.gz UDXUUUQJLMYVAT-GHMZBOCLSA-N 1 1 304.360 3.999 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000487822028 1036738490 /nfs/dbraw/zinc/73/84/90/1036738490.db2.gz PBZNGDGNEACNSK-CQSZACIVSA-N 1 1 310.397 3.768 20 30 DHEDMO C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(C#N)c(F)c1 ZINC000271987924 1036830759 /nfs/dbraw/zinc/83/07/59/1036830759.db2.gz YNBCIKGJDKGZGA-SNVBAGLBSA-N 1 1 301.390 3.882 20 30 DHEDMO Cc1cc(C[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)ccc1C#N ZINC000488110037 1036854911 /nfs/dbraw/zinc/85/49/11/1036854911.db2.gz LQTCAMAQTICKKN-FOIQADDNSA-N 1 1 306.409 3.691 20 30 DHEDMO COc1cc(C[N@@H+](Cc2ccc(C#N)c(C)c2)C2CC2)ccc1O ZINC000488132035 1036864857 /nfs/dbraw/zinc/86/48/57/1036864857.db2.gz HLMIXFOJGABSAB-UHFFFAOYSA-N 1 1 322.408 3.746 20 30 DHEDMO Cc1cc(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1C#N ZINC000488275947 1036943078 /nfs/dbraw/zinc/94/30/78/1036943078.db2.gz CFGYTWCTMMQECB-VQIMIIECSA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1cc(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1C#N ZINC000488275947 1036943087 /nfs/dbraw/zinc/94/30/87/1036943087.db2.gz CFGYTWCTMMQECB-VQIMIIECSA-N 1 1 311.473 3.609 20 30 DHEDMO C#CC[N@@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@@H]1CCCc2ccccc21 ZINC001198104880 1036953056 /nfs/dbraw/zinc/95/30/56/1036953056.db2.gz VEAPCSXHLSBXAL-FMWKFLBASA-N 1 1 309.453 3.957 20 30 DHEDMO Cc1ccc(-n2cnc3c2CC[N@H+](CC(C)(C)CCC#N)C3)cc1 ZINC000488542432 1037068352 /nfs/dbraw/zinc/06/83/52/1037068352.db2.gz ZPXIPZJDKFMLRR-UHFFFAOYSA-N 1 1 322.456 3.869 20 30 DHEDMO Cc1ccc(-n2cnc3c2CC[N@@H+](CC(C)(C)CCC#N)C3)cc1 ZINC000488542432 1037068365 /nfs/dbraw/zinc/06/83/65/1037068365.db2.gz ZPXIPZJDKFMLRR-UHFFFAOYSA-N 1 1 322.456 3.869 20 30 DHEDMO Fc1ccc(C#CC[N@@H+]2CCO[C@@H](c3ccccc3)CC2)cc1 ZINC001198705849 1037115334 /nfs/dbraw/zinc/11/53/34/1037115334.db2.gz MUQVCGWFWYZCEH-HXUWFJFHSA-N 1 1 309.384 3.641 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CCO[C@@H](c3ccccc3)CC2)cc1 ZINC001198705849 1037115357 /nfs/dbraw/zinc/11/53/57/1037115357.db2.gz MUQVCGWFWYZCEH-HXUWFJFHSA-N 1 1 309.384 3.641 20 30 DHEDMO C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CC[N@H+](C2CCC2)C1 ZINC000488734282 1037120107 /nfs/dbraw/zinc/12/01/07/1037120107.db2.gz LSBBJNWHLRDHDA-ZDUSSCGKSA-N 1 1 303.837 3.522 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@]23CCCOC3)c1 ZINC001198827842 1037133893 /nfs/dbraw/zinc/13/38/93/1037133893.db2.gz HYQGNXXDFIGFPX-KRWDZBQOSA-N 1 1 304.821 3.747 20 30 DHEDMO CN(CC[C@H]1CCCC[N@H+]1CCCCC#N)C(=O)OC(C)(C)C ZINC001198845078 1037142874 /nfs/dbraw/zinc/14/28/74/1037142874.db2.gz VWXTXGHCHMZNRH-MRXNPFEDSA-N 1 1 323.481 3.792 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000496070552 1037186501 /nfs/dbraw/zinc/18/65/01/1037186501.db2.gz VSDUXNRHRRAPNC-AWEZNQCLSA-N 1 1 303.406 3.815 20 30 DHEDMO C[C@@H](C#N)c1ccc(NC(=O)c2c[nH+]ccc2N2CCCC2)cc1 ZINC001199369453 1037252696 /nfs/dbraw/zinc/25/26/96/1037252696.db2.gz IGSPSWSIGCEVFR-AWEZNQCLSA-N 1 1 320.396 3.561 20 30 DHEDMO CC[N@H+](Cc1ccc(Br)cc1C#N)CC1CCC1 ZINC000311216138 1037287116 /nfs/dbraw/zinc/28/71/16/1037287116.db2.gz RUTDBNBRMDCSJI-UHFFFAOYSA-N 1 1 307.235 3.943 20 30 DHEDMO Cc1cc(C#N)cc(C)c1CNCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001199743567 1037324562 /nfs/dbraw/zinc/32/45/62/1037324562.db2.gz WZQBIYUUCMPEPG-HNNXBMFYSA-N 1 1 313.489 3.775 20 30 DHEDMO Cc1cc(C#N)cc(C)c1CNCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001199743567 1037324573 /nfs/dbraw/zinc/32/45/73/1037324573.db2.gz WZQBIYUUCMPEPG-HNNXBMFYSA-N 1 1 313.489 3.775 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000489426774 1037425408 /nfs/dbraw/zinc/42/54/08/1037425408.db2.gz CKHFQJORNYPVMA-HOTGVXAUSA-N 1 1 313.363 3.649 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000489438203 1037430890 /nfs/dbraw/zinc/43/08/90/1037430890.db2.gz PADICFXFAZHPNM-KBPBESRZSA-N 1 1 306.837 3.558 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000489438203 1037430895 /nfs/dbraw/zinc/43/08/95/1037430895.db2.gz PADICFXFAZHPNM-KBPBESRZSA-N 1 1 306.837 3.558 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000489436297 1037431626 /nfs/dbraw/zinc/43/16/26/1037431626.db2.gz VBXHMGQZSONTKO-AWEZNQCLSA-N 1 1 303.793 3.931 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000489436297 1037431635 /nfs/dbraw/zinc/43/16/35/1037431635.db2.gz VBXHMGQZSONTKO-AWEZNQCLSA-N 1 1 303.793 3.931 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000489471097 1037450804 /nfs/dbraw/zinc/45/08/04/1037450804.db2.gz DHWKHDBKXVBZJA-HNNXBMFYSA-N 1 1 317.820 3.581 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1cccnc1Cl ZINC000150898196 1037520803 /nfs/dbraw/zinc/52/08/03/1037520803.db2.gz IMYHBRGUDZFJHN-CYBMUJFWSA-N 1 1 309.841 3.740 20 30 DHEDMO C=CCCC[N@@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000490046445 1037592449 /nfs/dbraw/zinc/59/24/49/1037592449.db2.gz VRFLAWXTNFETPW-HNNXBMFYSA-N 1 1 304.434 3.546 20 30 DHEDMO CCC[N@@H+](CCCCC#N)[C@H](C)C(=O)Nc1ccccc1C ZINC000490078705 1037600690 /nfs/dbraw/zinc/60/06/90/1037600690.db2.gz IDINBNNZMPBRTQ-MRXNPFEDSA-N 1 1 301.434 3.728 20 30 DHEDMO C[C@@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000776156854 1037612989 /nfs/dbraw/zinc/61/29/89/1037612989.db2.gz MMEPGUHCYLCEBT-IXDOHACOSA-N 1 1 315.461 3.502 20 30 DHEDMO C[C@@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000776156854 1037612995 /nfs/dbraw/zinc/61/29/95/1037612995.db2.gz MMEPGUHCYLCEBT-IXDOHACOSA-N 1 1 315.461 3.502 20 30 DHEDMO CN(C)c1cc[nH+]cc1C=[NH+][N-]c1nc(-c2ccccc2)cs1 ZINC000776185055 1037694630 /nfs/dbraw/zinc/69/46/30/1037694630.db2.gz DWCZCHMZBCVXRN-UHFFFAOYSA-N 1 1 323.425 3.717 20 30 DHEDMO CC(=[NH+]Nc1cc(C)cc(C)c1)c1ccc(N2CCOCC2)cc1 ZINC000916346877 1037743799 /nfs/dbraw/zinc/74/37/99/1037743799.db2.gz ZIYIWMVHRZANES-UHFFFAOYSA-N 1 1 323.440 3.976 20 30 DHEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C[C@H](C)CCC)C2)C1 ZINC001201539458 1037747183 /nfs/dbraw/zinc/74/71/83/1037747183.db2.gz VWCQTUWTJYZKLK-AEFFLSMTSA-N 1 1 308.466 3.533 20 30 DHEDMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000916576701 1037791659 /nfs/dbraw/zinc/79/16/59/1037791659.db2.gz HOYDMVMAVMEQIB-CABCVRRESA-N 1 1 324.453 3.919 20 30 DHEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000916576701 1037791679 /nfs/dbraw/zinc/79/16/79/1037791679.db2.gz HOYDMVMAVMEQIB-CABCVRRESA-N 1 1 324.453 3.919 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC000763404033 1037828008 /nfs/dbraw/zinc/82/80/08/1037828008.db2.gz QJYFAUYQXKXWEZ-FPOVZHCZSA-N 1 1 320.436 3.546 20 30 DHEDMO CCC[N@H+](Cc1ccccc1F)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763409913 1037828107 /nfs/dbraw/zinc/82/81/07/1037828107.db2.gz VGSRICMUHGODBI-LJQANCHMSA-N 1 1 312.388 3.643 20 30 DHEDMO C#CC[N@@H+](Cc1nnc(-c2cc(C)oc2C)o1)C1CCCCC1 ZINC000490871286 1037846878 /nfs/dbraw/zinc/84/68/78/1037846878.db2.gz AXKRKNBKFBUVHH-UHFFFAOYSA-N 1 1 313.401 3.714 20 30 DHEDMO C#CC[N@H+](Cc1nnc(-c2cc(C)oc2C)o1)C1CCCCC1 ZINC000490871286 1037846896 /nfs/dbraw/zinc/84/68/96/1037846896.db2.gz AXKRKNBKFBUVHH-UHFFFAOYSA-N 1 1 313.401 3.714 20 30 DHEDMO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)ccc1C#N ZINC000488173431 1037854072 /nfs/dbraw/zinc/85/40/72/1037854072.db2.gz VAYUSGWVDXDEQZ-KBXCAEBGSA-N 1 1 312.438 3.890 20 30 DHEDMO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)ccc1C#N ZINC000488173431 1037854093 /nfs/dbraw/zinc/85/40/93/1037854093.db2.gz VAYUSGWVDXDEQZ-KBXCAEBGSA-N 1 1 312.438 3.890 20 30 DHEDMO C#CC[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)C1CCCCC1 ZINC000490898376 1037855454 /nfs/dbraw/zinc/85/54/54/1037855454.db2.gz KCRQRFQWSIGAMG-INIZCTEOSA-N 1 1 304.459 3.763 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@H]2C[C@@H](c3nc(C)no3)O[C@@H]2C1 ZINC001201762910 1037888956 /nfs/dbraw/zinc/88/89/56/1037888956.db2.gz ZDDRKMMDRVFVGH-HRCADAONSA-N 1 1 307.438 3.500 20 30 DHEDMO CCCCCCCC[N@@H+]1Cc2ncn(C)c2[C@H](COCC)C1 ZINC001201814943 1037899225 /nfs/dbraw/zinc/89/92/25/1037899225.db2.gz UQMUCBCELJVPLV-INIZCTEOSA-N 1 1 307.482 3.716 20 30 DHEDMO CCCCCCCC[N@@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001201815215 1037899750 /nfs/dbraw/zinc/89/97/50/1037899750.db2.gz ZOONESCGAARRDV-CALCHBBNSA-N 1 1 321.534 3.867 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001201776750 1037906006 /nfs/dbraw/zinc/90/60/06/1037906006.db2.gz JXZHNUGUILKKSD-JKSUJKDBSA-N 1 1 306.475 3.898 20 30 DHEDMO CCCCCCCC[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC001201840264 1037916970 /nfs/dbraw/zinc/91/69/70/1037916970.db2.gz RJKZRMRPVMKUAA-UHFFFAOYSA-N 1 1 306.450 3.788 20 30 DHEDMO CCCCCCCCC[N@H+]1C[C@H](C)[C@]2(CCN(CC)C2=O)C1 ZINC001201840118 1037918850 /nfs/dbraw/zinc/91/88/50/1037918850.db2.gz VAAJCDYGCYIFSA-HKUYNNGSSA-N 1 1 308.510 3.927 20 30 DHEDMO CCCCCCCCC[N@@H+]1Cc2nnn(C)c2[C@@H](COCC)C1 ZINC001201846855 1037920041 /nfs/dbraw/zinc/92/00/41/1037920041.db2.gz NXFDLTPGXAHHJV-MRXNPFEDSA-N 1 1 322.497 3.501 20 30 DHEDMO C#C[C@@H](C)[N@H+](C)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000775180188 1037937911 /nfs/dbraw/zinc/93/79/11/1037937911.db2.gz WDIABADHFRVXPD-GFCCVEGCSA-N 1 1 301.821 3.596 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000775180188 1037937919 /nfs/dbraw/zinc/93/79/19/1037937919.db2.gz WDIABADHFRVXPD-GFCCVEGCSA-N 1 1 301.821 3.596 20 30 DHEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000775184691 1037950124 /nfs/dbraw/zinc/95/01/24/1037950124.db2.gz XSETUCZMIBFIND-OAHLLOKOSA-N 1 1 309.409 3.824 20 30 DHEDMO C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000586780146 1037963147 /nfs/dbraw/zinc/96/31/47/1037963147.db2.gz DORZMDKKBMCTIP-QFBILLFUSA-N 1 1 311.473 3.546 20 30 DHEDMO C[C@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000586780146 1037963154 /nfs/dbraw/zinc/96/31/54/1037963154.db2.gz DORZMDKKBMCTIP-QFBILLFUSA-N 1 1 311.473 3.546 20 30 DHEDMO COCCc1cc[nH+]c(N[C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000586795060 1037973722 /nfs/dbraw/zinc/97/37/22/1037973722.db2.gz ILBNKRZSDXYKSU-SFHVURJKSA-N 1 1 307.397 3.632 20 30 DHEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC000917041512 1038124128 /nfs/dbraw/zinc/12/41/28/1038124128.db2.gz ZPWGQXIUQASISS-HXUWFJFHSA-N 1 1 306.409 3.946 20 30 DHEDMO C=CC[N@H+](CC(=O)N(Cc1ccco1)c1ccccc1)C(C)C ZINC000917070340 1038169661 /nfs/dbraw/zinc/16/96/61/1038169661.db2.gz AIQBJEOCYDFJBZ-UHFFFAOYSA-N 1 1 312.413 3.709 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(Cc1ccco1)c1ccccc1)C(C)C ZINC000917070340 1038169674 /nfs/dbraw/zinc/16/96/74/1038169674.db2.gz AIQBJEOCYDFJBZ-UHFFFAOYSA-N 1 1 312.413 3.709 20 30 DHEDMO CC[N@H+](CCC#N)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000127637485 1038203878 /nfs/dbraw/zinc/20/38/78/1038203878.db2.gz OVTNXZWSLKUOQP-UHFFFAOYSA-N 1 1 304.397 3.761 20 30 DHEDMO CC[N@@H+](CCC#N)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000127637485 1038203899 /nfs/dbraw/zinc/20/38/99/1038203899.db2.gz OVTNXZWSLKUOQP-UHFFFAOYSA-N 1 1 304.397 3.761 20 30 DHEDMO CCc1[nH+]c(C)cn1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC001189977055 1038234652 /nfs/dbraw/zinc/23/46/52/1038234652.db2.gz FYCMDXIXPGFCDY-WOJGMQOQSA-N 1 1 323.440 3.635 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000588206845 1038273631 /nfs/dbraw/zinc/27/36/31/1038273631.db2.gz DJPJDZWGZBYAII-LJQANCHMSA-N 1 1 321.424 3.536 20 30 DHEDMO C[NH+](C)[C@H](CNC(=O)CCCCCC#N)c1ccccc1Cl ZINC000588248576 1038275986 /nfs/dbraw/zinc/27/59/86/1038275986.db2.gz RDNOYUWASBXBBW-MRXNPFEDSA-N 1 1 321.852 3.533 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000588214937 1038276423 /nfs/dbraw/zinc/27/64/23/1038276423.db2.gz DUENRDCLTVHUAG-MSOLQXFVSA-N 1 1 322.452 3.853 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(C(C)C)c2)c1 ZINC001190400090 1038308043 /nfs/dbraw/zinc/30/80/43/1038308043.db2.gz VBTZALKLTKWBQG-UHFFFAOYSA-N 1 1 320.436 3.862 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(C(C)C)c2)c1 ZINC001190400090 1038308050 /nfs/dbraw/zinc/30/80/50/1038308050.db2.gz VBTZALKLTKWBQG-UHFFFAOYSA-N 1 1 320.436 3.862 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001190485516 1038319082 /nfs/dbraw/zinc/31/90/82/1038319082.db2.gz LHQXDMACPODNFC-ZFWWWQNUSA-N 1 1 317.326 3.924 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001190485516 1038319090 /nfs/dbraw/zinc/31/90/90/1038319090.db2.gz LHQXDMACPODNFC-ZFWWWQNUSA-N 1 1 317.326 3.924 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001190458061 1038323945 /nfs/dbraw/zinc/32/39/45/1038323945.db2.gz TYWMQEMMRYGPKK-VQFNDLOPSA-N 1 1 303.446 3.887 20 30 DHEDMO C#CC[N@@H+](C[C@@H]1CCC2(CCC2)CO1)[C@@H]1CCc2ccccc21 ZINC001190526457 1038335693 /nfs/dbraw/zinc/33/56/93/1038335693.db2.gz AFCDRJOFCXOFLW-AZUAARDMSA-N 1 1 309.453 3.958 20 30 DHEDMO C#CC[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000775399683 1038357118 /nfs/dbraw/zinc/35/71/18/1038357118.db2.gz IODLXCACBOMBIZ-HXUWFJFHSA-N 1 1 319.383 3.866 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cccc2nsnc21 ZINC001190699059 1038365156 /nfs/dbraw/zinc/36/51/56/1038365156.db2.gz DSSYQMKCMBRJSU-UHFFFAOYSA-N 1 1 309.438 3.922 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)cc1 ZINC001191077880 1038435306 /nfs/dbraw/zinc/43/53/06/1038435306.db2.gz OFTCKXKLEWNBOE-SZVBFZGTSA-N 1 1 310.441 3.650 20 30 DHEDMO CC(C)c1cc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)on1 ZINC000589313696 1038463093 /nfs/dbraw/zinc/46/30/93/1038463093.db2.gz MNINGOVCRJISON-UHFFFAOYSA-N 1 1 323.318 3.978 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2ccc(C)o2)cc1 ZINC001191215990 1038464001 /nfs/dbraw/zinc/46/40/01/1038464001.db2.gz LODRVIZSUQBCQF-SFHVURJKSA-N 1 1 324.424 3.635 20 30 DHEDMO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001191277548 1038477781 /nfs/dbraw/zinc/47/77/81/1038477781.db2.gz LQHMKRLPZVISNA-KRWDZBQOSA-N 1 1 323.396 3.920 20 30 DHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001191277548 1038477786 /nfs/dbraw/zinc/47/77/86/1038477786.db2.gz LQHMKRLPZVISNA-KRWDZBQOSA-N 1 1 323.396 3.920 20 30 DHEDMO CCC#C[C@@H](C)[N@@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001191290121 1038481090 /nfs/dbraw/zinc/48/10/90/1038481090.db2.gz ZSVJXFZEMDMAAW-HZPDHXFCSA-N 1 1 310.482 3.660 20 30 DHEDMO C#CCCCCCC[N@@H+]1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC001191464878 1038511570 /nfs/dbraw/zinc/51/15/70/1038511570.db2.gz SDGXQCBUQCFQKD-MRXNPFEDSA-N 1 1 318.427 3.776 20 30 DHEDMO C=CCN(Cc1cccs1)Cc1[nH+]cc(C)c(OC)c1C ZINC000589705761 1038534957 /nfs/dbraw/zinc/53/49/57/1038534957.db2.gz FPAGVDMWAYTARD-UHFFFAOYSA-N 1 1 302.443 3.957 20 30 DHEDMO N#CCCOCC[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000590162415 1038596629 /nfs/dbraw/zinc/59/66/29/1038596629.db2.gz RQENJPHPMQGMQR-OAHLLOKOSA-N 1 1 323.234 3.516 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C[C@@H]1C ZINC001192261824 1038614757 /nfs/dbraw/zinc/61/47/57/1038614757.db2.gz JQCHYFNMOCMYFF-NEPJUHHUSA-N 1 1 307.235 3.799 20 30 DHEDMO N#Cc1c(C(F)F)cccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000590575363 1038670776 /nfs/dbraw/zinc/67/07/76/1038670776.db2.gz OGBNJICXZGCMKJ-UHFFFAOYSA-N 1 1 302.328 3.603 20 30 DHEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000590756929 1038699552 /nfs/dbraw/zinc/69/95/52/1038699552.db2.gz OGANTJYYOBRGJS-CRAIPNDOSA-N 1 1 300.446 3.735 20 30 DHEDMO CCCCCCC[C@H](C)NC(=O)NCc1[nH+]cn2ccccc12 ZINC001192949737 1038717851 /nfs/dbraw/zinc/71/78/51/1038717851.db2.gz OXBZVVAKFCWFOJ-HNNXBMFYSA-N 1 1 316.449 3.883 20 30 DHEDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000591019593 1038744541 /nfs/dbraw/zinc/74/45/41/1038744541.db2.gz FNLJJEPFTCBFEI-INIZCTEOSA-N 1 1 300.450 3.593 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000591045347 1038748895 /nfs/dbraw/zinc/74/88/95/1038748895.db2.gz HGZNJLHTGTYVEB-UXHICEINSA-N 1 1 320.436 3.796 20 30 DHEDMO CC[C@@H](C)Oc1cc(C[NH2+]CC2(C#N)CCC2)ccc1OC ZINC000591357742 1038837865 /nfs/dbraw/zinc/83/78/65/1038837865.db2.gz NVAWFGNPASYLCD-CQSZACIVSA-N 1 1 302.418 3.656 20 30 DHEDMO Cc1cccn2cc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)nc12 ZINC000591853642 1039035941 /nfs/dbraw/zinc/03/59/41/1039035941.db2.gz AZLCKJAXSMSJEP-OAHLLOKOSA-N 1 1 304.397 3.707 20 30 DHEDMO Cc1cccn2cc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)nc12 ZINC000591853642 1039035960 /nfs/dbraw/zinc/03/59/60/1039035960.db2.gz AZLCKJAXSMSJEP-OAHLLOKOSA-N 1 1 304.397 3.707 20 30 DHEDMO CC(C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000760921241 1039099607 /nfs/dbraw/zinc/09/96/07/1039099607.db2.gz QUQMMWRJQOYJED-OAHLLOKOSA-N 1 1 313.445 3.643 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)c(OC)c1 ZINC000599258205 1039105109 /nfs/dbraw/zinc/10/51/09/1039105109.db2.gz VFYZGQOMXJFYAT-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO CCC[N@@H+](Cc1ccncc1C#N)[C@@H]1CCc2ccccc2C1 ZINC000592061837 1039108766 /nfs/dbraw/zinc/10/87/66/1039108766.db2.gz SLCSIXICXBPOHZ-HXUWFJFHSA-N 1 1 305.425 3.723 20 30 DHEDMO CC[C@@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@@H]1c1ccccc1 ZINC000592071503 1039115943 /nfs/dbraw/zinc/11/59/43/1039115943.db2.gz KFQXRSSXICRKKA-UZLBHIALSA-N 1 1 305.425 3.969 20 30 DHEDMO CC(C)CC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000760927074 1039123451 /nfs/dbraw/zinc/12/34/51/1039123451.db2.gz RYFVVRGWSPMFGK-UHFFFAOYSA-N 1 1 324.428 3.866 20 30 DHEDMO C[N@@H+](CCC(C)(C)C)CC(=O)Nc1ccccc1SCC#N ZINC000592144219 1039126993 /nfs/dbraw/zinc/12/69/93/1039126993.db2.gz DQZDNBANHUWSPN-UHFFFAOYSA-N 1 1 319.474 3.609 20 30 DHEDMO C[C@@]1(Cc2cccc(F)c2)CCC[N@H+]1Cc1ccncc1C#N ZINC000592138546 1039135080 /nfs/dbraw/zinc/13/50/80/1039135080.db2.gz SYAZXMKISUQQNV-IBGZPJMESA-N 1 1 309.388 3.690 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)CC1 ZINC000599437042 1039162228 /nfs/dbraw/zinc/16/22/28/1039162228.db2.gz LXBNOILUACOOBV-MSOLQXFVSA-N 1 1 310.441 3.658 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)ccn1 ZINC000599516448 1039189416 /nfs/dbraw/zinc/18/94/16/1039189416.db2.gz UTQNLIJUJZPUGD-HNNXBMFYSA-N 1 1 313.351 3.611 20 30 DHEDMO N#Cc1cccc(OCC[N@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC000603859138 1039192743 /nfs/dbraw/zinc/19/27/43/1039192743.db2.gz CSOTZOJYBVTDHF-UHFFFAOYSA-N 1 1 310.372 3.741 20 30 DHEDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2ccccc2C#N)c1 ZINC000603867949 1039200281 /nfs/dbraw/zinc/20/02/81/1039200281.db2.gz GKACCOCKUFJTAB-LJQANCHMSA-N 1 1 306.409 3.774 20 30 DHEDMO C[C@@H](C[N@@H+](C)CC(=O)Nc1sccc1C#N)C1CCCCC1 ZINC000599632974 1039240011 /nfs/dbraw/zinc/24/00/11/1039240011.db2.gz IBSZVJISALTRSY-ZDUSSCGKSA-N 1 1 319.474 3.706 20 30 DHEDMO CCOCC[N@@H+](CCCSCC#N)[C@@H]1CCc2ccccc21 ZINC000599625198 1039249758 /nfs/dbraw/zinc/24/97/58/1039249758.db2.gz HKKRBJKZSKFXMD-GOSISDBHSA-N 1 1 318.486 3.659 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c(Cl)c1 ZINC000574196974 1039417398 /nfs/dbraw/zinc/41/73/98/1039417398.db2.gz NQQZROKQPOHCIF-RDJZCZTQSA-N 1 1 304.821 3.603 20 30 DHEDMO C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCc2ccccc21 ZINC000593091257 1039434984 /nfs/dbraw/zinc/43/49/84/1039434984.db2.gz MEXLLVBJRREZNG-KRWDZBQOSA-N 1 1 312.457 3.749 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCc2ccccc21 ZINC000593091258 1039435848 /nfs/dbraw/zinc/43/58/48/1039435848.db2.gz MEXLLVBJRREZNG-QGZVFWFLSA-N 1 1 312.457 3.749 20 30 DHEDMO CCn1cc(C[N@@H+](CCC2(C#N)CCCCC2)C(C)C)cn1 ZINC000593080663 1039445886 /nfs/dbraw/zinc/44/58/86/1039445886.db2.gz OSVDZOBUDPIKNB-UHFFFAOYSA-N 1 1 302.466 3.978 20 30 DHEDMO C[C@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000592404488 1039448225 /nfs/dbraw/zinc/44/82/25/1039448225.db2.gz YQPUPFCLRJEBQH-DQLDELGASA-N 1 1 319.452 3.554 20 30 DHEDMO C[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000592404488 1039448232 /nfs/dbraw/zinc/44/82/32/1039448232.db2.gz YQPUPFCLRJEBQH-DQLDELGASA-N 1 1 319.452 3.554 20 30 DHEDMO C[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000592404488 1039448240 /nfs/dbraw/zinc/44/82/40/1039448240.db2.gz YQPUPFCLRJEBQH-DQLDELGASA-N 1 1 319.452 3.554 20 30 DHEDMO C[C@H]([NH2+][C@H](CCO)c1ccccc1F)c1ccc(C#N)cc1F ZINC000592401873 1039462714 /nfs/dbraw/zinc/46/27/14/1039462714.db2.gz DMKKTENBTWZKRI-KPZWWZAWSA-N 1 1 316.351 3.611 20 30 DHEDMO N#CC1(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CCCC1 ZINC000593650553 1039576330 /nfs/dbraw/zinc/57/63/30/1039576330.db2.gz URKVXPXFDAIBPM-UHFFFAOYSA-N 1 1 314.820 3.699 20 30 DHEDMO C=C(C)COc1cc(C[NH2+]CC2(C#N)CCCC2)ccc1OC ZINC000593649322 1039578193 /nfs/dbraw/zinc/57/81/93/1039578193.db2.gz AEPKICZJRBBXNH-UHFFFAOYSA-N 1 1 314.429 3.824 20 30 DHEDMO COc1ccc(-c2ccncc2)cc1C[NH2+]CC1(C#N)CCCC1 ZINC000593654535 1039578945 /nfs/dbraw/zinc/57/89/45/1039578945.db2.gz GAOWNJLLKMRRCR-UHFFFAOYSA-N 1 1 321.424 3.931 20 30 DHEDMO N#CC1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000593654319 1039580685 /nfs/dbraw/zinc/58/06/85/1039580685.db2.gz VPNVYWBABITEQY-LJQANCHMSA-N 1 1 323.484 3.857 20 30 DHEDMO N#CC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000593654319 1039580694 /nfs/dbraw/zinc/58/06/94/1039580694.db2.gz VPNVYWBABITEQY-LJQANCHMSA-N 1 1 323.484 3.857 20 30 DHEDMO Cc1nc2scc(C3CC3)n2c1C[NH2+]CC1(C#N)CCCC1 ZINC000593654553 1039581647 /nfs/dbraw/zinc/58/16/47/1039581647.db2.gz HTVXSPCILYHSEI-UHFFFAOYSA-N 1 1 314.458 3.755 20 30 DHEDMO CC[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)[C@@H](CC)CO1 ZINC000593662022 1039582792 /nfs/dbraw/zinc/58/27/92/1039582792.db2.gz WSNORXODEWXQSQ-ZWKOTPCHSA-N 1 1 316.445 3.759 20 30 DHEDMO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000592525809 1039596783 /nfs/dbraw/zinc/59/67/83/1039596783.db2.gz UXONERYWNQTGKP-UHFFFAOYSA-N 1 1 320.458 3.564 20 30 DHEDMO CCOC(=O)CCCC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC001307438803 1039606129 /nfs/dbraw/zinc/60/61/29/1039606129.db2.gz WKCWRIMDELTQGU-UHFFFAOYSA-N 1 1 316.445 3.750 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000046518349 1039742522 /nfs/dbraw/zinc/74/25/22/1039742522.db2.gz GWVZNAIQOFIOTO-UHFFFAOYSA-N 1 1 314.772 3.572 20 30 DHEDMO C[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000594496030 1039796376 /nfs/dbraw/zinc/79/63/76/1039796376.db2.gz XSGHNDRHBGPFMA-IRXDYDNUSA-N 1 1 313.489 3.840 20 30 DHEDMO C[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)[N@H+]1CCCC[C@@H]1C ZINC000594496030 1039796387 /nfs/dbraw/zinc/79/63/87/1039796387.db2.gz XSGHNDRHBGPFMA-IRXDYDNUSA-N 1 1 313.489 3.840 20 30 DHEDMO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cc2n(n1)CCCC2 ZINC000594517208 1039825249 /nfs/dbraw/zinc/82/52/49/1039825249.db2.gz IAUXPGUCCQJGEM-OAHLLOKOSA-N 1 1 320.440 3.821 20 30 DHEDMO N#Cc1c(NC[C@H]2CCCC[N@H+]2C2CC2)cccc1C(F)F ZINC000594577449 1039858490 /nfs/dbraw/zinc/85/84/90/1039858490.db2.gz ZIZNDKKBWRWHGL-CYBMUJFWSA-N 1 1 305.372 3.925 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCc2ccc(Cl)cc21 ZINC000594015051 1039941382 /nfs/dbraw/zinc/94/13/82/1039941382.db2.gz UDQUULIFYYKNHT-ZDUSSCGKSA-N 1 1 311.816 3.768 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c(Cl)c1 ZINC000594020241 1039949207 /nfs/dbraw/zinc/94/92/07/1039949207.db2.gz DQNXVVITCBIWGZ-MRXNPFEDSA-N 1 1 304.821 3.745 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c(Cl)c1 ZINC000594020241 1039949214 /nfs/dbraw/zinc/94/92/14/1039949214.db2.gz DQNXVVITCBIWGZ-MRXNPFEDSA-N 1 1 304.821 3.745 20 30 DHEDMO N#CC1(c2ccc(CN[C@@H]3CC[N@H+](C4CCCCC4)C3)cc2)CC1 ZINC000594977963 1039950540 /nfs/dbraw/zinc/95/05/40/1039950540.db2.gz OKAAKDFWCQJSIN-LJQANCHMSA-N 1 1 323.484 3.738 20 30 DHEDMO N#CC1(c2ccc(C[NH2+][C@@H]3CCN(C4CCCCC4)C3)cc2)CC1 ZINC000594977963 1039950558 /nfs/dbraw/zinc/95/05/58/1039950558.db2.gz OKAAKDFWCQJSIN-LJQANCHMSA-N 1 1 323.484 3.738 20 30 DHEDMO C[N@H+]1Cc2ccc(NCc3ccc(C4(C#N)CC4)cc3)cc2C1 ZINC000594936760 1039953968 /nfs/dbraw/zinc/95/39/68/1039953968.db2.gz WGLSIWGPXOJRSH-UHFFFAOYSA-N 1 1 303.409 3.799 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2cccc(OC3CC3)c2F)cc1F ZINC000594958687 1039966684 /nfs/dbraw/zinc/96/66/84/1039966684.db2.gz OAAPVOHZOBHKNF-UHFFFAOYSA-N 1 1 314.335 3.667 20 30 DHEDMO C=CCCCCCN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000606881522 1040024497 /nfs/dbraw/zinc/02/44/97/1040024497.db2.gz QMWGHDFYFBZUHX-SFHVURJKSA-N 1 1 302.462 3.884 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000606902691 1040028047 /nfs/dbraw/zinc/02/80/47/1040028047.db2.gz QTUYXNJJFANAHU-INIZCTEOSA-N 1 1 300.446 3.642 20 30 DHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000595090591 1040075681 /nfs/dbraw/zinc/07/56/81/1040075681.db2.gz IMTOBMNJVWWICO-HNNXBMFYSA-N 1 1 313.445 3.513 20 30 DHEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN([C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000595330497 1040100791 /nfs/dbraw/zinc/10/07/91/1040100791.db2.gz CLSPKNIIOZTPFF-YJBOKZPZSA-N 1 1 317.864 3.568 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000595307931 1040104782 /nfs/dbraw/zinc/10/47/82/1040104782.db2.gz NLZNOWUYATXUOS-SFHVURJKSA-N 1 1 320.392 3.667 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CCc3sc(Cl)cc3C2)cc1 ZINC000595562852 1040162897 /nfs/dbraw/zinc/16/28/97/1040162897.db2.gz MTFMMRWPMOPFOL-UHFFFAOYSA-N 1 1 302.830 3.874 20 30 DHEDMO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCCCC#N)Cc2ccccc21 ZINC000595619161 1040192029 /nfs/dbraw/zinc/19/20/29/1040192029.db2.gz ULFDXJMMZURZDU-KRWDZBQOSA-N 1 1 314.429 3.621 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000595616748 1040193581 /nfs/dbraw/zinc/19/35/81/1040193581.db2.gz XFHSMVIDEZNTTB-KRWDZBQOSA-N 1 1 321.424 3.786 20 30 DHEDMO N#CC[C@@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000595623220 1040196366 /nfs/dbraw/zinc/19/63/66/1040196366.db2.gz KFQLSHMISIBURT-SFHVURJKSA-N 1 1 311.473 3.798 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000595613339 1040206262 /nfs/dbraw/zinc/20/62/62/1040206262.db2.gz BGLHHIGFYUOWMK-MRXNPFEDSA-N 1 1 307.397 4.000 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000595614301 1040207035 /nfs/dbraw/zinc/20/70/35/1040207035.db2.gz KAQDDVIUHWICEL-ZDUSSCGKSA-N 1 1 312.335 3.753 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000595612252 1040208943 /nfs/dbraw/zinc/20/89/43/1040208943.db2.gz UKXWLQTXGLGEPI-ZDUSSCGKSA-N 1 1 320.820 3.627 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000595612252 1040208959 /nfs/dbraw/zinc/20/89/59/1040208959.db2.gz UKXWLQTXGLGEPI-ZDUSSCGKSA-N 1 1 320.820 3.627 20 30 DHEDMO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611831 1040209186 /nfs/dbraw/zinc/20/91/86/1040209186.db2.gz NSFAGFMKTPEHKI-JKSUJKDBSA-N 1 1 321.424 3.792 20 30 DHEDMO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611831 1040209196 /nfs/dbraw/zinc/20/91/96/1040209196.db2.gz NSFAGFMKTPEHKI-JKSUJKDBSA-N 1 1 321.424 3.792 20 30 DHEDMO N#CCCCC[NH+]1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000595657404 1040216646 /nfs/dbraw/zinc/21/66/46/1040216646.db2.gz BIOSHAKXSTUYCE-UHFFFAOYSA-N 1 1 312.244 3.809 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCc3nc(-c4ccccc4)sc3C2)C1 ZINC000595713137 1040225565 /nfs/dbraw/zinc/22/55/65/1040225565.db2.gz PKUZOBIUQHXFPM-HIFRSBDPSA-N 1 1 309.438 3.860 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000595765594 1040235461 /nfs/dbraw/zinc/23/54/61/1040235461.db2.gz LSADMVDGHNJGJK-UHFFFAOYSA-N 1 1 319.405 3.518 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H](C)[C@H]1O ZINC000595746827 1040241649 /nfs/dbraw/zinc/24/16/49/1040241649.db2.gz YAKQWXHBUFRAOR-JIPZTSHUSA-N 1 1 320.436 3.674 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CCF)C2)c(OC(F)F)c1 ZINC000595756668 1040243800 /nfs/dbraw/zinc/24/38/00/1040243800.db2.gz VNKKWAAKFUMINE-GFCCVEGCSA-N 1 1 312.335 3.731 20 30 DHEDMO Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842770 1040262547 /nfs/dbraw/zinc/26/25/47/1040262547.db2.gz VCILXEJWYDBIJI-LJQANCHMSA-N 1 1 310.445 3.751 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000595845407 1040262895 /nfs/dbraw/zinc/26/28/95/1040262895.db2.gz NQOYNLIXIGLCRH-OKILXGFUSA-N 1 1 305.805 3.810 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@](C)(C(F)F)O1 ZINC000595918958 1040283494 /nfs/dbraw/zinc/28/34/94/1040283494.db2.gz PGLIYMACBFWTOY-SCLBCKFNSA-N 1 1 322.399 3.732 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@](C)(C(F)F)O1 ZINC000595918958 1040283516 /nfs/dbraw/zinc/28/35/16/1040283516.db2.gz PGLIYMACBFWTOY-SCLBCKFNSA-N 1 1 322.399 3.732 20 30 DHEDMO CSc1cc(-c2ccc(C[NH+]3CCOCC3)cc2)ccc1C#N ZINC000596635914 1040532539 /nfs/dbraw/zinc/53/25/39/1040532539.db2.gz GQAJJFCSDUIXGJ-UHFFFAOYSA-N 1 1 324.449 3.779 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC1(C#N)CCCCC1 ZINC000596814020 1040574359 /nfs/dbraw/zinc/57/43/59/1040574359.db2.gz LWGOAXZUJFCBLA-QGZVFWFLSA-N 1 1 319.493 3.621 20 30 DHEDMO CCC[N@@H+](Cc1c(C2CCC2)cnn1C)Cc1ccc(C#N)cc1 ZINC000596983896 1040618353 /nfs/dbraw/zinc/61/83/53/1040618353.db2.gz IYAKZBATROXZOU-UHFFFAOYSA-N 1 1 322.456 3.971 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCc4cccc(F)c4C3)cc2)CC1 ZINC000597010902 1040625368 /nfs/dbraw/zinc/62/53/68/1040625368.db2.gz YUSNSUPXLQUHGY-UHFFFAOYSA-N 1 1 306.384 3.939 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCc4cccc(F)c4C3)cc2)CC1 ZINC000597010902 1040625369 /nfs/dbraw/zinc/62/53/69/1040625369.db2.gz YUSNSUPXLQUHGY-UHFFFAOYSA-N 1 1 306.384 3.939 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@@H]3CN3CCCCC3)cc2)CC1 ZINC000596991500 1040627830 /nfs/dbraw/zinc/62/78/30/1040627830.db2.gz LANXATHNNZOYLD-HXUWFJFHSA-N 1 1 323.484 3.692 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H]3CN3CCCCC3)cc2)CC1 ZINC000596991500 1040627834 /nfs/dbraw/zinc/62/78/34/1040627834.db2.gz LANXATHNNZOYLD-HXUWFJFHSA-N 1 1 323.484 3.692 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H]3C3CCOCC3)cc2)CC1 ZINC000597073449 1040645940 /nfs/dbraw/zinc/64/59/40/1040645940.db2.gz IFSPEKBDMJGWAS-LJQANCHMSA-N 1 1 310.441 3.633 20 30 DHEDMO NC(=[NH+]OCc1csc(Cc2ccccc2)n1)C1CCCC1 ZINC000060453695 1040656948 /nfs/dbraw/zinc/65/69/48/1040656948.db2.gz OZDXACRKETZKCN-UHFFFAOYSA-N 1 1 315.442 3.713 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H](Oc4ccccc4)C3)cc2)CC1 ZINC000597153769 1040667607 /nfs/dbraw/zinc/66/76/07/1040667607.db2.gz IDJJGVGOKMNOMQ-FQEVSTJZSA-N 1 1 318.420 3.895 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3C[C@H](O)C[C@@H]3c3ccccc3)cc2)CC1 ZINC000597150419 1040667866 /nfs/dbraw/zinc/66/78/66/1040667866.db2.gz BQEMULDMPKCUHP-WOJBJXKFSA-N 1 1 318.420 3.550 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3C[C@H](O)C[C@H]3c3ccccc3)cc2)CC1 ZINC000597150414 1040668233 /nfs/dbraw/zinc/66/82/33/1040668233.db2.gz BQEMULDMPKCUHP-UXHICEINSA-N 1 1 318.420 3.550 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000597156276 1040670141 /nfs/dbraw/zinc/67/01/41/1040670141.db2.gz CJFGVNIYHMOXLA-NSHDSACASA-N 1 1 322.334 3.504 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000597156276 1040670149 /nfs/dbraw/zinc/67/01/49/1040670149.db2.gz CJFGVNIYHMOXLA-NSHDSACASA-N 1 1 322.334 3.504 20 30 DHEDMO CC[N@@H+](C[C@H](O)c1ccccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000060477265 1040673596 /nfs/dbraw/zinc/67/35/96/1040673596.db2.gz UNFORIFAEVOHRP-LIRRHRJNSA-N 1 1 312.388 3.814 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000597173333 1040674928 /nfs/dbraw/zinc/67/49/28/1040674928.db2.gz IXBSIQJGRCVGNS-KRWDZBQOSA-N 1 1 321.424 3.786 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000597173235 1040675903 /nfs/dbraw/zinc/67/59/03/1040675903.db2.gz HEHCIOBMWYKIIO-KRWDZBQOSA-N 1 1 321.424 3.786 20 30 DHEDMO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597177589 1040678122 /nfs/dbraw/zinc/67/81/22/1040678122.db2.gz PXGVPLXGROQIKH-CYBMUJFWSA-N 1 1 314.458 3.707 20 30 DHEDMO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597177589 1040678127 /nfs/dbraw/zinc/67/81/27/1040678127.db2.gz PXGVPLXGROQIKH-CYBMUJFWSA-N 1 1 314.458 3.707 20 30 DHEDMO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597175248 1040679445 /nfs/dbraw/zinc/67/94/45/1040679445.db2.gz XJUKEXADUWOENR-IBGZPJMESA-N 1 1 322.456 3.674 20 30 DHEDMO N#CCC1C[NH+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC000597203735 1040692921 /nfs/dbraw/zinc/69/29/21/1040692921.db2.gz NQVYVJSZBWPSIQ-UHFFFAOYSA-N 1 1 310.372 3.750 20 30 DHEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000597230173 1040695227 /nfs/dbraw/zinc/69/52/27/1040695227.db2.gz QHMROIMFVAMUJN-HXUWFJFHSA-N 1 1 316.408 3.761 20 30 DHEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000597230173 1040695232 /nfs/dbraw/zinc/69/52/32/1040695232.db2.gz QHMROIMFVAMUJN-HXUWFJFHSA-N 1 1 316.408 3.761 20 30 DHEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCCc2ccccc21 ZINC000534333038 1040807726 /nfs/dbraw/zinc/80/77/26/1040807726.db2.gz GBRQPCDRYYDNQB-IBGZPJMESA-N 1 1 316.408 3.715 20 30 DHEDMO C=CCC1(CNC(=O)CCn2cc[nH+]c2C(C)C)CCCC1 ZINC000456489406 1040845149 /nfs/dbraw/zinc/84/51/49/1040845149.db2.gz UKVHHNPSCMBGEJ-UHFFFAOYSA-N 1 1 303.450 3.649 20 30 DHEDMO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1cccc(F)c1C#N ZINC000602018402 1040855856 /nfs/dbraw/zinc/85/58/56/1040855856.db2.gz XKKYKCHOYUZXLG-KRWDZBQOSA-N 1 1 314.335 3.622 20 30 DHEDMO CC(C)[C@H](O)[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000602028835 1040860230 /nfs/dbraw/zinc/86/02/30/1040860230.db2.gz QOUMBMJFICHDRQ-OALUTQOASA-N 1 1 312.388 3.545 20 30 DHEDMO CC(C)[C@@H](O)[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000602028836 1040860741 /nfs/dbraw/zinc/86/07/41/1040860741.db2.gz QOUMBMJFICHDRQ-RBUKOAKNSA-N 1 1 312.388 3.545 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000602451819 1041028033 /nfs/dbraw/zinc/02/80/33/1041028033.db2.gz AGNGCERPXYMLSE-MAUKXSAKSA-N 1 1 304.409 3.747 20 30 DHEDMO COc1ccccc1C[N@@H+](C[C@@H](C)CCC#N)C[C@H]1CCCO1 ZINC000602450473 1041030442 /nfs/dbraw/zinc/03/04/42/1041030442.db2.gz VZFZAMDDELEOED-FUHWJXTLSA-N 1 1 316.445 3.616 20 30 DHEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2C[C@H](C)CCC#N)c1 ZINC000602437645 1041032789 /nfs/dbraw/zinc/03/27/89/1041032789.db2.gz WOFILDOGOBBXPN-RHSMWYFYSA-N 1 1 302.418 3.781 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)n1)Cc1ccccc1C(F)(F)F ZINC000602435807 1041033228 /nfs/dbraw/zinc/03/32/28/1041033228.db2.gz KYASSRPITLSRGC-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)n1)Cc1ccccc1C(F)(F)F ZINC000602435807 1041033243 /nfs/dbraw/zinc/03/32/43/1041033243.db2.gz KYASSRPITLSRGC-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO COc1ccc(OC)c(C[N@@H+](C[C@@H](C)CCC#N)C2CC2)c1 ZINC000602438066 1041033972 /nfs/dbraw/zinc/03/39/72/1041033972.db2.gz GZFBPZGMWGNRKN-AWEZNQCLSA-N 1 1 302.418 3.608 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000442689943 1041056257 /nfs/dbraw/zinc/05/62/57/1041056257.db2.gz IIQGRJDXRJFOBR-ZDUSSCGKSA-N 1 1 307.353 3.586 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000442689943 1041056272 /nfs/dbraw/zinc/05/62/72/1041056272.db2.gz IIQGRJDXRJFOBR-ZDUSSCGKSA-N 1 1 307.353 3.586 20 30 DHEDMO Cc1ccc(C[NH2+]Cc2cccc(C#N)n2)c(OCCC(C)C)c1 ZINC000602573365 1041103752 /nfs/dbraw/zinc/10/37/52/1041103752.db2.gz HNKLFLKDTXRNHI-UHFFFAOYSA-N 1 1 323.440 3.976 20 30 DHEDMO CC(C)C[N@@H+](Cc1cccc(C#N)n1)[C@H]1CCCc2cccnc21 ZINC000602615172 1041115621 /nfs/dbraw/zinc/11/56/21/1041115621.db2.gz ILIXJDGSFLUOSZ-IBGZPJMESA-N 1 1 320.440 3.884 20 30 DHEDMO CC(C)C[N@@H+](Cc1cccc(C#N)n1)[C@@H]1CCCc2cccnc21 ZINC000602615174 1041116629 /nfs/dbraw/zinc/11/66/29/1041116629.db2.gz ILIXJDGSFLUOSZ-LJQANCHMSA-N 1 1 320.440 3.884 20 30 DHEDMO CC1(C#N)CC[NH+](Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000602609852 1041125053 /nfs/dbraw/zinc/12/50/53/1041125053.db2.gz XSEZZWTXVBOCIM-UHFFFAOYSA-N 1 1 301.340 3.639 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000602637642 1041139603 /nfs/dbraw/zinc/13/96/03/1041139603.db2.gz NNGNWRVDJIXOJG-IRXDYDNUSA-N 1 1 322.456 3.685 20 30 DHEDMO COc1ccc(C[N@@H+](C[C@H](C)CCC#N)CC2CC2)c(OC)c1 ZINC000602659885 1041145607 /nfs/dbraw/zinc/14/56/07/1041145607.db2.gz YGIDIQFKHJUBTA-OAHLLOKOSA-N 1 1 316.445 3.856 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000602688839 1041152677 /nfs/dbraw/zinc/15/26/77/1041152677.db2.gz AXMFZAMYJHMNBU-IUODEOHRSA-N 1 1 322.250 3.921 20 30 DHEDMO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602779723 1041207916 /nfs/dbraw/zinc/20/79/16/1041207916.db2.gz NSMJBKHAGBBWFA-QGZVFWFLSA-N 1 1 308.429 3.887 20 30 DHEDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000602779723 1041207929 /nfs/dbraw/zinc/20/79/29/1041207929.db2.gz NSMJBKHAGBBWFA-QGZVFWFLSA-N 1 1 308.429 3.887 20 30 DHEDMO N#CCC1(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000602786955 1041213948 /nfs/dbraw/zinc/21/39/48/1041213948.db2.gz MZPKWHUBPBAVGD-WOJBJXKFSA-N 1 1 323.484 3.667 20 30 DHEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC4(CC#N)CC4)C3)nc2c1 ZINC000602795580 1041218057 /nfs/dbraw/zinc/21/80/57/1041218057.db2.gz BCSTWLNPECWOTH-HNNXBMFYSA-N 1 1 308.429 3.745 20 30 DHEDMO Cc1ccc2nc([C@H]3CCC[N@H+](CC4(CC#N)CC4)C3)[nH]c2c1 ZINC000602795580 1041218074 /nfs/dbraw/zinc/21/80/74/1041218074.db2.gz BCSTWLNPECWOTH-HNNXBMFYSA-N 1 1 308.429 3.745 20 30 DHEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](CC4(CC#N)CC4)C3)[nH]c2c1 ZINC000602795580 1041218092 /nfs/dbraw/zinc/21/80/92/1041218092.db2.gz BCSTWLNPECWOTH-HNNXBMFYSA-N 1 1 308.429 3.745 20 30 DHEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000060890077 1041227272 /nfs/dbraw/zinc/22/72/72/1041227272.db2.gz OBRAWRMRTTXIMI-KRWDZBQOSA-N 1 1 313.445 3.787 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)CC(C)(C)C#N ZINC000598584768 1041348015 /nfs/dbraw/zinc/34/80/15/1041348015.db2.gz VEKWSZRHLQKJTM-LBPRGKRZSA-N 1 1 312.866 3.690 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)CC(C)(C)C#N ZINC000598584767 1041348603 /nfs/dbraw/zinc/34/86/03/1041348603.db2.gz VEKWSZRHLQKJTM-GFCCVEGCSA-N 1 1 312.866 3.690 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000598587334 1041350126 /nfs/dbraw/zinc/35/01/26/1041350126.db2.gz QGTAXGKVVHTEIN-JKSUJKDBSA-N 1 1 320.864 3.648 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000598590265 1041350300 /nfs/dbraw/zinc/35/03/00/1041350300.db2.gz UHUSRDITEOZLHS-KRWDZBQOSA-N 1 1 312.413 3.583 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000598593868 1041354861 /nfs/dbraw/zinc/35/48/61/1041354861.db2.gz XUCHLETZQYHRQY-OALUTQOASA-N 1 1 314.473 3.774 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000598599307 1041359089 /nfs/dbraw/zinc/35/90/89/1041359089.db2.gz ZNDUIQMBAKRBOR-PBHICJAKSA-N 1 1 322.399 3.793 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000598621123 1041362405 /nfs/dbraw/zinc/36/24/05/1041362405.db2.gz FSGUVRWZYQRLPL-MJGOQNOKSA-N 1 1 318.436 3.523 20 30 DHEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2ncc(CC)s2)cc1 ZINC000130484385 334925266 /nfs/dbraw/zinc/92/52/66/334925266.db2.gz MCXPIJWGCNVPBF-ZDUSSCGKSA-N 1 1 300.427 3.568 20 30 DHEDMO CC(C)[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCC1 ZINC000072600918 191200035 /nfs/dbraw/zinc/20/00/35/191200035.db2.gz AAHFVSFOOFBAPU-UHFFFAOYSA-N 1 1 310.401 3.761 20 30 DHEDMO C[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000093318217 193232455 /nfs/dbraw/zinc/23/24/55/193232455.db2.gz JMTCHUCOKNZGAQ-AEFFLSMTSA-N 1 1 323.440 3.636 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]Cc1c(OC)cccc1OC ZINC000286453989 335034870 /nfs/dbraw/zinc/03/48/70/335034870.db2.gz JXOVWSNNSDKGKW-UHFFFAOYSA-N 1 1 313.397 3.558 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)[C@@H](C)c2cccnc2)cc(OC)c1O ZINC000183731579 335041119 /nfs/dbraw/zinc/04/11/19/335041119.db2.gz AVKWTPJHXMODRF-AWEZNQCLSA-N 1 1 312.413 3.717 20 30 DHEDMO C=CCSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000192977121 335043144 /nfs/dbraw/zinc/04/31/44/335043144.db2.gz CRJVZNBXBSTZNM-YQQQUEKLSA-N 1 1 316.514 3.691 20 30 DHEDMO C=CCSCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000192977121 335043145 /nfs/dbraw/zinc/04/31/45/335043145.db2.gz CRJVZNBXBSTZNM-YQQQUEKLSA-N 1 1 316.514 3.691 20 30 DHEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1cc(OC)ncc1F ZINC000287783620 335047932 /nfs/dbraw/zinc/04/79/32/335047932.db2.gz SHTDOWFGULBWET-CYBMUJFWSA-N 1 1 316.376 3.645 20 30 DHEDMO C=C(C)C[C@@H](C)c1nc(-c2ccc(-n3cc[nH+]c3C)nc2)no1 ZINC000288929570 335058844 /nfs/dbraw/zinc/05/88/44/335058844.db2.gz MUNZBDZFULWJID-GFCCVEGCSA-N 1 1 309.373 3.695 20 30 DHEDMO C=C(C)CN1CCC([NH2+][C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194032096 335059097 /nfs/dbraw/zinc/05/90/97/335059097.db2.gz JJOGNXVMRMNOKY-GOSISDBHSA-N 1 1 322.880 3.658 20 30 DHEDMO C[C@@H](Nc1snc(Cl)c1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273041866 130085343 /nfs/dbraw/zinc/08/53/43/130085343.db2.gz WHROXAXVFKNNNE-GHMZBOCLSA-N 1 1 324.881 3.733 20 30 DHEDMO CCCN(CC1(C#N)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000343319000 335075940 /nfs/dbraw/zinc/07/59/40/335075940.db2.gz HUNQXTYENGEMGP-IBGZPJMESA-N 1 1 311.473 3.667 20 30 DHEDMO CCC[N@H+](CC1(C#N)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000343319000 335075941 /nfs/dbraw/zinc/07/59/41/335075941.db2.gz HUNQXTYENGEMGP-IBGZPJMESA-N 1 1 311.473 3.667 20 30 DHEDMO CCC[N@@H+](CC1(C#N)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000343319000 335075943 /nfs/dbraw/zinc/07/59/43/335075943.db2.gz HUNQXTYENGEMGP-IBGZPJMESA-N 1 1 311.473 3.667 20 30 DHEDMO Cc1nc(NCc2ccccc2C[N@H+](C)C(C)C)ccc1C#N ZINC000487940557 435632010 /nfs/dbraw/zinc/63/20/10/435632010.db2.gz MZUVJAKZARJXEE-UHFFFAOYSA-N 1 1 308.429 3.714 20 30 DHEDMO Cc1c(Cl)cnc(NCCCC[N@@H+]2CCC[C@@H](C)C2)c1C#N ZINC000543133712 435647936 /nfs/dbraw/zinc/64/79/36/435647936.db2.gz MSEMMNRCHJNBSW-CYBMUJFWSA-N 1 1 320.868 3.839 20 30 DHEDMO CC(C)(C#N)CCCC[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000409447321 332031479 /nfs/dbraw/zinc/03/14/79/332031479.db2.gz CIOGLPBXGCDBSO-UHFFFAOYSA-N 1 1 320.868 3.577 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000091813472 332088597 /nfs/dbraw/zinc/08/85/97/332088597.db2.gz UBARLYATNRQROL-SFHVURJKSA-N 1 1 301.430 3.502 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2ccc(C(C)C)cc2)C1=O ZINC000410333824 332113937 /nfs/dbraw/zinc/11/39/37/332113937.db2.gz RLIBPVHBIPKCME-YJBOKZPZSA-N 1 1 300.446 3.590 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)CC(C)(C)CCC#N ZINC000093660555 332141339 /nfs/dbraw/zinc/14/13/39/332141339.db2.gz WJORDJYOEAHGNE-UHFFFAOYSA-N 1 1 315.461 3.894 20 30 DHEDMO C=CC[C@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000427001298 332165182 /nfs/dbraw/zinc/16/51/82/332165182.db2.gz ISVYKOCWMPZBTF-SCTDSRPQSA-N 1 1 314.473 3.725 20 30 DHEDMO C[C@@H]1[C@H](C)SCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000427021072 332165807 /nfs/dbraw/zinc/16/58/07/332165807.db2.gz IFBLHVAHNWYUIB-OLZOCXBDSA-N 1 1 313.388 3.883 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000181262988 332188422 /nfs/dbraw/zinc/18/84/22/332188422.db2.gz CKGAYNWYFKYUGP-NSHDSACASA-N 1 1 300.324 3.540 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000181262988 332188423 /nfs/dbraw/zinc/18/84/23/332188423.db2.gz CKGAYNWYFKYUGP-NSHDSACASA-N 1 1 300.324 3.540 20 30 DHEDMO Cc1c(Br)cccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000536425276 332242501 /nfs/dbraw/zinc/24/25/01/332242501.db2.gz BBCLVVSUGNSSNH-LLVKDONJSA-N 1 1 307.235 3.882 20 30 DHEDMO Cc1c(Br)cccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000536425276 332242502 /nfs/dbraw/zinc/24/25/02/332242502.db2.gz BBCLVVSUGNSSNH-LLVKDONJSA-N 1 1 307.235 3.882 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1 ZINC000292897595 335097212 /nfs/dbraw/zinc/09/72/12/335097212.db2.gz ZOMWOWOIHIQFJF-SJORKVTESA-N 1 1 305.368 3.566 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)NC1CCCC1)c1ccc(F)c(F)c1 ZINC000187756364 332271397 /nfs/dbraw/zinc/27/13/97/332271397.db2.gz UFPMJYZEVQJHDB-PXAZEXFGSA-N 1 1 322.399 3.619 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000573840353 332282456 /nfs/dbraw/zinc/28/24/56/332282456.db2.gz UZXKQJBZNIGSPP-SJLPKXTDSA-N 1 1 303.833 3.583 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000152994267 332332335 /nfs/dbraw/zinc/33/23/35/332332335.db2.gz DCWMIEFXLDBWNL-HNNXBMFYSA-N 1 1 317.433 3.594 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CCCOc3ccccc32)CC1 ZINC000153011724 332338449 /nfs/dbraw/zinc/33/84/49/332338449.db2.gz KSKJVZYDUZKJMM-GOSISDBHSA-N 1 1 300.446 3.530 20 30 DHEDMO C=CCCC[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000560854141 332390702 /nfs/dbraw/zinc/39/07/02/332390702.db2.gz BDZLGKMEPVNEAE-CYBMUJFWSA-N 1 1 300.324 3.520 20 30 DHEDMO N#CCC1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000580233577 333038282 /nfs/dbraw/zinc/03/82/82/333038282.db2.gz BVRFTFUKJWIZOS-UHFFFAOYSA-N 1 1 300.299 3.970 20 30 DHEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCOC(C)(C)C1 ZINC000580248995 333040808 /nfs/dbraw/zinc/04/08/08/333040808.db2.gz YKHPWOSCSFQQDK-QGZVFWFLSA-N 1 1 305.849 3.971 20 30 DHEDMO C=CC[N@@H+](CCCO[C@@H]1CCCCO1)CCc1ccccc1 ZINC000460385774 333076162 /nfs/dbraw/zinc/07/61/62/333076162.db2.gz FZXZFKUTJRPJLJ-LJQANCHMSA-N 1 1 303.446 3.650 20 30 DHEDMO CC(C)[C@@H](CO)[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000174865836 333092157 /nfs/dbraw/zinc/09/21/57/333092157.db2.gz UYOSTTQJZNNRCT-GOSISDBHSA-N 1 1 302.462 3.835 20 30 DHEDMO C[C@H]([N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12)C1(C)CC1 ZINC000177251880 333126181 /nfs/dbraw/zinc/12/61/81/333126181.db2.gz BIKKKDNCHZNEJG-HNNXBMFYSA-N 1 1 323.440 3.858 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000177991171 333134253 /nfs/dbraw/zinc/13/42/53/333134253.db2.gz ITKRBPZIEUOTCQ-HXUWFJFHSA-N 1 1 322.383 3.520 20 30 DHEDMO COc1cc(C)c([C@H](C)[NH2+]Cc2ccccc2C#N)cc1OC ZINC000179060871 333145811 /nfs/dbraw/zinc/14/58/11/333145811.db2.gz USZQQTUNSSMHHN-AWEZNQCLSA-N 1 1 310.397 3.735 20 30 DHEDMO Cc1ncsc1C[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000179426856 333150440 /nfs/dbraw/zinc/15/04/40/333150440.db2.gz JZKZVUNOHUUKRC-UHFFFAOYSA-N 1 1 315.442 3.766 20 30 DHEDMO Cc1ncsc1C[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000179426856 333150442 /nfs/dbraw/zinc/15/04/42/333150442.db2.gz JZKZVUNOHUUKRC-UHFFFAOYSA-N 1 1 315.442 3.766 20 30 DHEDMO CC[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000108365795 333175889 /nfs/dbraw/zinc/17/58/89/333175889.db2.gz XCJFBDZEXXLEOF-KBPBESRZSA-N 1 1 319.474 3.750 20 30 DHEDMO C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309778940 333196689 /nfs/dbraw/zinc/19/66/89/333196689.db2.gz KDNITOXWBNAZMV-IEBWSBKVSA-N 1 1 313.489 3.817 20 30 DHEDMO C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309778940 333196690 /nfs/dbraw/zinc/19/66/90/333196690.db2.gz KDNITOXWBNAZMV-IEBWSBKVSA-N 1 1 313.489 3.817 20 30 DHEDMO COC[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(C)o1 ZINC000184765657 333201341 /nfs/dbraw/zinc/20/13/41/333201341.db2.gz DPHYZWCWNHOCCE-QGZVFWFLSA-N 1 1 312.413 3.867 20 30 DHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CCOc1ccccc1C#N ZINC000318950899 333230996 /nfs/dbraw/zinc/23/09/96/333230996.db2.gz CWMKXILMKLCGHV-CQSZACIVSA-N 1 1 312.335 3.600 20 30 DHEDMO N#Cc1ncccc1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310503663 333252512 /nfs/dbraw/zinc/25/25/12/333252512.db2.gz IPZWUIUSPVREJA-GOSISDBHSA-N 1 1 320.440 3.667 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000497469168 333254127 /nfs/dbraw/zinc/25/41/27/333254127.db2.gz OLGVQUXSKFYZKY-GOSISDBHSA-N 1 1 310.372 3.913 20 30 DHEDMO C[C@H](O)CC[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191512459 333280415 /nfs/dbraw/zinc/28/04/15/333280415.db2.gz AQSQLCQFHPFJFA-SFHVURJKSA-N 1 1 322.452 3.589 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000563070425 333290221 /nfs/dbraw/zinc/29/02/21/333290221.db2.gz WXEGJZCFAHJJGS-CTNGQTDRSA-N 1 1 318.420 3.836 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000185393056 335132757 /nfs/dbraw/zinc/13/27/57/335132757.db2.gz HLQIQUGNINEDPR-HNNXBMFYSA-N 1 1 318.486 3.776 20 30 DHEDMO C[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1nc(-c2cccc(F)c2)no1 ZINC000194755172 333315836 /nfs/dbraw/zinc/31/58/36/333315836.db2.gz GCUZCRAFHVILKX-XUJVJEKNSA-N 1 1 314.364 3.609 20 30 DHEDMO C=CC1CC[NH+]([C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000111257821 333328253 /nfs/dbraw/zinc/32/82/53/333328253.db2.gz IUWHLBOYKYRZRD-NSHDSACASA-N 1 1 317.458 3.560 20 30 DHEDMO C=CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2SC)CC1 ZINC000111259784 333328558 /nfs/dbraw/zinc/32/85/58/333328558.db2.gz VVJKBXMNCYNCOA-CYBMUJFWSA-N 1 1 304.459 3.634 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000390808744 333394576 /nfs/dbraw/zinc/39/45/76/333394576.db2.gz PAHRQFIAAMOEHB-UHFFFAOYSA-N 1 1 313.489 3.914 20 30 DHEDMO CC(C)(C#N)CCCCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000390808744 333394577 /nfs/dbraw/zinc/39/45/77/333394577.db2.gz PAHRQFIAAMOEHB-UHFFFAOYSA-N 1 1 313.489 3.914 20 30 DHEDMO CC(C)(C#N)CCCCN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000390808744 333394578 /nfs/dbraw/zinc/39/45/78/333394578.db2.gz PAHRQFIAAMOEHB-UHFFFAOYSA-N 1 1 313.489 3.914 20 30 DHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000319693124 333397355 /nfs/dbraw/zinc/39/73/55/333397355.db2.gz LJBVUZJINIDIPZ-FUHWJXTLSA-N 1 1 311.429 3.541 20 30 DHEDMO Cc1cc(C[C@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)n[nH]1 ZINC000271573733 334024563 /nfs/dbraw/zinc/02/45/63/334024563.db2.gz ZBWOBWNWAQOVBR-IJNIYJAUSA-N 1 1 322.456 3.643 20 30 DHEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000272045489 334030274 /nfs/dbraw/zinc/03/02/74/334030274.db2.gz SCSJMWJNVXHMQQ-INIZCTEOSA-N 1 1 310.445 3.749 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273467557 334047502 /nfs/dbraw/zinc/04/75/02/334047502.db2.gz INVWRMVQTBTLNT-MAUKXSAKSA-N 1 1 314.360 3.642 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@H](c2ccsc2)O1 ZINC000343555511 335171890 /nfs/dbraw/zinc/17/18/90/335171890.db2.gz CRXFIQRVJPJBBE-RDTXWAMCSA-N 1 1 312.438 3.776 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@H](c2ccsc2)O1 ZINC000343555511 335171891 /nfs/dbraw/zinc/17/18/91/335171891.db2.gz CRXFIQRVJPJBBE-RDTXWAMCSA-N 1 1 312.438 3.776 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000277773576 334090675 /nfs/dbraw/zinc/09/06/75/334090675.db2.gz RJPMQFYLDMYWEQ-QGZVFWFLSA-N 1 1 304.434 3.981 20 30 DHEDMO Cc1nc2sccn2c1C[N@@H+](C)CCCCC(C)(C)C#N ZINC000277766142 334090748 /nfs/dbraw/zinc/09/07/48/334090748.db2.gz QTCFNLQLLLSVRH-UHFFFAOYSA-N 1 1 304.463 3.856 20 30 DHEDMO CC(C)(C#N)CCCCN1CC[NH+](CCc2ccccc2)CC1 ZINC000278088829 334092744 /nfs/dbraw/zinc/09/27/44/334092744.db2.gz JDCBWUVUTBDHPM-UHFFFAOYSA-N 1 1 313.489 3.567 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC(C)(C)C#N)cc2)C1 ZINC000278173727 334093299 /nfs/dbraw/zinc/09/32/99/334093299.db2.gz BNWUOAVKBROFLC-HNNXBMFYSA-N 1 1 313.445 3.797 20 30 DHEDMO N#C[C@H]1CC[C@H]([NH+]2CCN(Cc3cccc4ccccc43)CC2)C1 ZINC000278753010 334100690 /nfs/dbraw/zinc/10/06/90/334100690.db2.gz XEWIXJWZELDGCG-PXNSSMCTSA-N 1 1 319.452 3.650 20 30 DHEDMO C[N@@H+](CCCCO)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000278962020 334104201 /nfs/dbraw/zinc/10/42/01/334104201.db2.gz ZRSXYEVNYHMZRI-UHFFFAOYSA-N 1 1 322.452 3.591 20 30 DHEDMO CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)o2)cc1OC ZINC000343607843 335176718 /nfs/dbraw/zinc/17/67/18/335176718.db2.gz MPADQHJQACJBMD-ZDUSSCGKSA-N 1 1 314.385 3.799 20 30 DHEDMO CN(c1ccccc1)c1ccc(C[NH+]2CCC(C)(C#N)CC2)cn1 ZINC000280881835 334120858 /nfs/dbraw/zinc/12/08/58/334120858.db2.gz DTIZXNSFPQZVAF-UHFFFAOYSA-N 1 1 320.440 3.975 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000366591351 334124237 /nfs/dbraw/zinc/12/42/37/334124237.db2.gz KVULUYIYDBKNSJ-ZCNNSNEGSA-N 1 1 324.399 3.631 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000366591351 334124239 /nfs/dbraw/zinc/12/42/39/334124239.db2.gz KVULUYIYDBKNSJ-ZCNNSNEGSA-N 1 1 324.399 3.631 20 30 DHEDMO CCc1ccc(-c2noc([C@H](C)[NH2+][C@@H]3CC[C@@H](C#N)C3)n2)cc1 ZINC000282133778 334131917 /nfs/dbraw/zinc/13/19/17/334131917.db2.gz BNYPYUZIMRNKEL-JGGQBBKZSA-N 1 1 310.401 3.642 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1nc(-c2cccs2)no1 ZINC000285153696 334145999 /nfs/dbraw/zinc/14/59/99/334145999.db2.gz ABERMCWFWBLMPE-UHFFFAOYSA-N 1 1 318.446 3.950 20 30 DHEDMO Cn1nccc1C1=CC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000285798955 334150080 /nfs/dbraw/zinc/15/00/80/334150080.db2.gz ZZNAHFPEEDBXHM-UHFFFAOYSA-N 1 1 320.440 3.511 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000286056944 334150995 /nfs/dbraw/zinc/15/09/95/334150995.db2.gz RHWZDGZTOQKBDS-CEXWTWQISA-N 1 1 312.457 3.821 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000286056946 334151011 /nfs/dbraw/zinc/15/10/11/334151011.db2.gz RHWZDGZTOQKBDS-GUDVDZBRSA-N 1 1 312.457 3.821 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccccc2NCCC(C)(C)C#N)C[C@H](C)O1 ZINC000288729618 334161880 /nfs/dbraw/zinc/16/18/80/334161880.db2.gz NMPUAAQQFYZYBZ-IYBDPMFKSA-N 1 1 315.461 3.648 20 30 DHEDMO CC(C)(CCC#N)C[N@@H+](CCc1ccccn1)Cc1ccncc1 ZINC000290616926 334173706 /nfs/dbraw/zinc/17/37/06/334173706.db2.gz WXWCXTQKKDBXJM-UHFFFAOYSA-N 1 1 322.456 3.851 20 30 DHEDMO C=C(C)C[N@H+](CCC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000101566663 334178226 /nfs/dbraw/zinc/17/82/26/334178226.db2.gz UQTIVSMQIRISJF-UHFFFAOYSA-N 1 1 300.446 3.579 20 30 DHEDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000293167433 334196277 /nfs/dbraw/zinc/19/62/77/334196277.db2.gz VFDSKUPQNORBBM-HXUWFJFHSA-N 1 1 314.473 3.718 20 30 DHEDMO COc1ccc(Br)cc1C[N@@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000293667165 334200317 /nfs/dbraw/zinc/20/03/17/334200317.db2.gz ZFQJRPCPRWEEFF-FZMZJTMJSA-N 1 1 323.234 3.582 20 30 DHEDMO Cc1cc(Br)c2c(c1)C[N@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000294406884 334209553 /nfs/dbraw/zinc/20/95/53/334209553.db2.gz CTRYGYNLWWFKCF-JSGCOSHPSA-N 1 1 319.246 3.808 20 30 DHEDMO Cc1cc(Br)c2c(c1)C[N@@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000294406884 334209554 /nfs/dbraw/zinc/20/95/54/334209554.db2.gz CTRYGYNLWWFKCF-JSGCOSHPSA-N 1 1 319.246 3.808 20 30 DHEDMO CC(C)N1CC[C@@H]([NH2+]CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000298639927 334250401 /nfs/dbraw/zinc/25/04/01/334250401.db2.gz WRABNDCHZJATCM-CVEARBPZSA-N 1 1 309.816 3.506 20 30 DHEDMO N#CCC[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000299243720 334254172 /nfs/dbraw/zinc/25/41/72/334254172.db2.gz JGDAIWYDXWMPOR-CQSZACIVSA-N 1 1 311.198 3.933 20 30 DHEDMO COC(=O)c1cccc(C[N@H+]2CCC3(C2)CCCCC3)c1C#N ZINC000534470710 334268004 /nfs/dbraw/zinc/26/80/04/334268004.db2.gz UYMBCQPUNZUNHK-UHFFFAOYSA-N 1 1 312.413 3.501 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)CC2(O)CCCC2)cc1 ZINC000531888765 334276797 /nfs/dbraw/zinc/27/67/97/334276797.db2.gz NXWWCNISPLBWGO-UHFFFAOYSA-N 1 1 320.436 3.866 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C)C[C@H]2CCCOC2)ccc1OC ZINC000119818695 334291355 /nfs/dbraw/zinc/29/13/55/334291355.db2.gz LLLMJDYZDNWTSX-QGZVFWFLSA-N 1 1 319.445 3.509 20 30 DHEDMO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cccc(C#N)c2F)s1 ZINC000340886435 334393249 /nfs/dbraw/zinc/39/32/49/334393249.db2.gz HCFFGGHDIQQQAZ-LLVKDONJSA-N 1 1 303.406 3.964 20 30 DHEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2F)s1 ZINC000340886435 334393251 /nfs/dbraw/zinc/39/32/51/334393251.db2.gz HCFFGGHDIQQQAZ-LLVKDONJSA-N 1 1 303.406 3.964 20 30 DHEDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000343708755 335189605 /nfs/dbraw/zinc/18/96/05/335189605.db2.gz LIKBFSFESXDMMD-SJORKVTESA-N 1 1 315.461 3.690 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2cc3cc(F)ccc3o2)CC1 ZINC000344236695 335230931 /nfs/dbraw/zinc/23/09/31/335230931.db2.gz AGBSOSAZKDPIHZ-UHFFFAOYSA-N 1 1 302.393 3.702 20 30 DHEDMO Cc1ccc(C)n1C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000345750409 335347809 /nfs/dbraw/zinc/34/78/09/335347809.db2.gz BYQVDDRHIFOECN-UHFFFAOYSA-N 1 1 311.404 3.953 20 30 DHEDMO COC(=O)c1cccc(C[NH2+]C2(c3ccccc3)CCC2)c1C#N ZINC000535963390 335806004 /nfs/dbraw/zinc/80/60/04/335806004.db2.gz MSAJWUPKJNJRBP-UHFFFAOYSA-N 1 1 320.392 3.514 20 30 DHEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000329628351 336016255 /nfs/dbraw/zinc/01/62/55/336016255.db2.gz HGBBGRJBZXRWTN-OCCSQVGLSA-N 1 1 316.401 3.514 20 30 DHEDMO CCCn1cc[nH+]c1CCCN(C)c1ccc(C#N)c(Cl)c1 ZINC000192234903 336022620 /nfs/dbraw/zinc/02/26/20/336022620.db2.gz LCHDCPKPSRIIAO-UHFFFAOYSA-N 1 1 316.836 3.887 20 30 DHEDMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@H]2CC[C@H](C)CC2)C1 ZINC000329654029 336028623 /nfs/dbraw/zinc/02/86/23/336028623.db2.gz FDBIAGBLLKQQGQ-JYJNAYRXSA-N 1 1 318.465 3.575 20 30 DHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000329664486 336033976 /nfs/dbraw/zinc/03/39/76/336033976.db2.gz QJLQJKVIDWCNCO-GDBMZVCRSA-N 1 1 303.450 3.680 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C)c(F)c1 ZINC000351582360 336046857 /nfs/dbraw/zinc/04/68/57/336046857.db2.gz LEJZNYFCQKIVOL-UHFFFAOYSA-N 1 1 312.388 3.654 20 30 DHEDMO CCC[N@@H+](Cc1cnc2cccc(C)n12)Cc1ccc(C#N)cc1 ZINC000351619788 336051227 /nfs/dbraw/zinc/05/12/27/336051227.db2.gz KNIHRSPXOBANKR-UHFFFAOYSA-N 1 1 318.424 3.927 20 30 DHEDMO Cc1ccc(-c2ccnn2C)cc1NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000329823065 336086444 /nfs/dbraw/zinc/08/64/44/336086444.db2.gz HJOYFKTZNVBHFZ-GOSISDBHSA-N 1 1 324.428 3.610 20 30 DHEDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)c1 ZINC000324226829 336113405 /nfs/dbraw/zinc/11/34/05/336113405.db2.gz WNPBVRNGBMDROR-GFCCVEGCSA-N 1 1 311.360 3.507 20 30 DHEDMO Cc1c(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)cnn1C1CCCC1 ZINC000330225506 336126732 /nfs/dbraw/zinc/12/67/32/336126732.db2.gz OGFWCHPOEKKZTO-MRXNPFEDSA-N 1 1 302.422 3.521 20 30 DHEDMO Cc1c(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cnn1C1CCCC1 ZINC000330225506 336126734 /nfs/dbraw/zinc/12/67/34/336126734.db2.gz OGFWCHPOEKKZTO-MRXNPFEDSA-N 1 1 302.422 3.521 20 30 DHEDMO Cc1ccc(-n2cc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cn2)c(C)c1 ZINC000330247459 336129367 /nfs/dbraw/zinc/12/93/67/336129367.db2.gz YXALNFWMUJDLCO-SFHVURJKSA-N 1 1 324.428 3.704 20 30 DHEDMO Cc1ccc(-n2cc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)cn2)c(C)c1 ZINC000330247459 336129369 /nfs/dbraw/zinc/12/93/69/336129369.db2.gz YXALNFWMUJDLCO-SFHVURJKSA-N 1 1 324.428 3.704 20 30 DHEDMO Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(C)(C#N)CC1 ZINC000332068500 336157268 /nfs/dbraw/zinc/15/72/68/336157268.db2.gz ALGXFBILICOUIG-UHFFFAOYSA-N 1 1 301.415 3.837 20 30 DHEDMO C[C@H](C1CC1)n1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cn1 ZINC000330324263 336158449 /nfs/dbraw/zinc/15/84/49/336158449.db2.gz UAVUDRDYHADVAQ-DYVFJYSZSA-N 1 1 316.449 3.849 20 30 DHEDMO CC(C)[N@@H+](CCC(=O)Nc1sccc1C#N)C1CCCC1 ZINC000332264997 336165546 /nfs/dbraw/zinc/16/55/46/336165546.db2.gz AYPCKESYRGACHE-UHFFFAOYSA-N 1 1 305.447 3.601 20 30 DHEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Oc2cccnc2)cc1 ZINC000352266418 336208457 /nfs/dbraw/zinc/20/84/57/336208457.db2.gz WHFCUZWDQZCPCJ-HOTGVXAUSA-N 1 1 320.396 3.968 20 30 DHEDMO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000352433901 336218300 /nfs/dbraw/zinc/21/83/00/336218300.db2.gz YZDVCSVWTMZJBE-UHFFFAOYSA-N 1 1 304.393 3.614 20 30 DHEDMO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1cccc(C#N)c1)C2 ZINC000352433901 336218301 /nfs/dbraw/zinc/21/83/01/336218301.db2.gz YZDVCSVWTMZJBE-UHFFFAOYSA-N 1 1 304.393 3.614 20 30 DHEDMO C=CCC(C)(C)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000352487254 336221615 /nfs/dbraw/zinc/22/16/15/336221615.db2.gz BSADPMLIFZNLHP-KRWDZBQOSA-N 1 1 318.436 3.509 20 30 DHEDMO C=CCC(C)(C)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000352487254 336221616 /nfs/dbraw/zinc/22/16/16/336221616.db2.gz BSADPMLIFZNLHP-KRWDZBQOSA-N 1 1 318.436 3.509 20 30 DHEDMO C[C@@H]1CCCCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000352631935 336228943 /nfs/dbraw/zinc/22/89/43/336228943.db2.gz WQYSVWAUHVNFPV-OAHLLOKOSA-N 1 1 308.429 3.723 20 30 DHEDMO C[C@H]1CCCCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000352631934 336228971 /nfs/dbraw/zinc/22/89/71/336228971.db2.gz WQYSVWAUHVNFPV-HNNXBMFYSA-N 1 1 308.429 3.723 20 30 DHEDMO Cc1cc([C@@H]([NH2+]Cc2nc(C#N)cs2)C2CC2)ccc1F ZINC000352811776 336245442 /nfs/dbraw/zinc/24/54/42/336245442.db2.gz UFNIYMXNQFNPDP-INIZCTEOSA-N 1 1 301.390 3.703 20 30 DHEDMO CC[N@H+]1CCCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000532521365 336252032 /nfs/dbraw/zinc/25/20/32/336252032.db2.gz RYDXJVGWUNOIMW-UHFFFAOYSA-N 1 1 319.452 3.753 20 30 DHEDMO CCN1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000532521365 336252033 /nfs/dbraw/zinc/25/20/33/336252033.db2.gz RYDXJVGWUNOIMW-UHFFFAOYSA-N 1 1 319.452 3.753 20 30 DHEDMO CCN1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000532521365 336252034 /nfs/dbraw/zinc/25/20/34/336252034.db2.gz RYDXJVGWUNOIMW-UHFFFAOYSA-N 1 1 319.452 3.753 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000532518281 336253435 /nfs/dbraw/zinc/25/34/35/336253435.db2.gz YJGRQMOKHOKPTP-SJORKVTESA-N 1 1 302.462 3.535 20 30 DHEDMO Cc1c(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cccc1[N+](=O)[O-] ZINC000580374112 336261596 /nfs/dbraw/zinc/26/15/96/336261596.db2.gz ZQBBNZRAWXKWOV-GFCCVEGCSA-N 1 1 313.332 3.765 20 30 DHEDMO C=CCSc1ccccc1C(=O)N[C@H](C)C[N@H+](CC)CCC ZINC000580385815 336263402 /nfs/dbraw/zinc/26/34/02/336263402.db2.gz DZLKYNWNHWXEIS-OAHLLOKOSA-N 1 1 320.502 3.815 20 30 DHEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C1CC1 ZINC000532815682 336272120 /nfs/dbraw/zinc/27/21/20/336272120.db2.gz GCMCVOGMDDRZRG-LBPRGKRZSA-N 1 1 312.335 3.752 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C1CC1 ZINC000532815682 336272121 /nfs/dbraw/zinc/27/21/21/336272121.db2.gz GCMCVOGMDDRZRG-LBPRGKRZSA-N 1 1 312.335 3.752 20 30 DHEDMO N#Cc1ccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c(F)c1 ZINC000301140899 336291952 /nfs/dbraw/zinc/29/19/52/336291952.db2.gz HZPQYGRFFXBTGS-QPJJXVBHSA-N 1 1 321.399 3.533 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cccc(F)c2C#N)C1 ZINC000301297546 336299484 /nfs/dbraw/zinc/29/94/84/336299484.db2.gz SQTWKBOEULKWLX-HZPDHXFCSA-N 1 1 315.436 3.788 20 30 DHEDMO C[C@@H]1C[N@H+](CCCCNc2ccc(Cl)cc2C#N)C[C@H](C)O1 ZINC000301721841 336325505 /nfs/dbraw/zinc/32/55/05/336325505.db2.gz NEMLSYVFSDCRBS-OKILXGFUSA-N 1 1 321.852 3.513 20 30 DHEDMO CC[C@@H](C#N)Oc1cccc(CNc2[nH]c3ccccc3[nH+]2)c1 ZINC000301888098 336336356 /nfs/dbraw/zinc/33/63/56/336336356.db2.gz PWFFTCYCOQOCJW-AWEZNQCLSA-N 1 1 306.369 3.856 20 30 DHEDMO CC(=O)c1ccc(C#N)cc1NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000302125936 336349723 /nfs/dbraw/zinc/34/97/23/336349723.db2.gz WFRAWTVAWFGXHJ-HNNXBMFYSA-N 1 1 321.424 3.693 20 30 DHEDMO C=C(C)[C@@H](Nc1nc(N(C)C)cc[nH+]1)c1ccc(F)c(F)c1 ZINC000302340614 336357388 /nfs/dbraw/zinc/35/73/88/336357388.db2.gz BQPIJERQTXIURO-OAHLLOKOSA-N 1 1 304.344 3.550 20 30 DHEDMO COc1cc(C[NH2+][C@H](C)c2c(F)cccc2OC)ccc1C#N ZINC000353662456 336432772 /nfs/dbraw/zinc/43/27/72/336432772.db2.gz RNMFINWOFCQRPU-GFCCVEGCSA-N 1 1 314.360 3.565 20 30 DHEDMO CC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000358567843 336634881 /nfs/dbraw/zinc/63/48/81/336634881.db2.gz JYJXJZIDMHQOFX-GFCCVEGCSA-N 1 1 311.360 3.507 20 30 DHEDMO C=CCCCC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000359146998 336660077 /nfs/dbraw/zinc/66/00/77/336660077.db2.gz RTMWUNUOYHOMFF-HZPDHXFCSA-N 1 1 316.445 3.591 20 30 DHEDMO C[C@H]([NH2+][C@H]1COc2cccc(F)c21)c1ccc(OCC#N)cc1 ZINC000368431047 336844578 /nfs/dbraw/zinc/84/45/78/336844578.db2.gz BJNBDMYOHDUORM-LRDDRELGSA-N 1 1 312.344 3.512 20 30 DHEDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)ccc1C#N ZINC000375587503 337013950 /nfs/dbraw/zinc/01/39/50/337013950.db2.gz YYLPJJVVFCEKST-KSSFIOAISA-N 1 1 307.397 3.545 20 30 DHEDMO Cc1cc([C@H]2CC[N@@H+](CCCC3(C#N)CCOCC3)C2)cs1 ZINC000375611623 337014401 /nfs/dbraw/zinc/01/44/01/337014401.db2.gz KDGAIXWYUVTXPB-INIZCTEOSA-N 1 1 318.486 3.946 20 30 DHEDMO N#CC1(CCC[N@H+]2CC[C@H](Cc3ccccc3)C2)CCOCC1 ZINC000375612856 337014601 /nfs/dbraw/zinc/01/46/01/337014601.db2.gz OUYJYRGVWKPPNC-LJQANCHMSA-N 1 1 312.457 3.652 20 30 DHEDMO C=CC[C@H](CC)NC(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000376389766 337032428 /nfs/dbraw/zinc/03/24/28/337032428.db2.gz YOFLMKXTPORZPV-JKSUJKDBSA-N 1 1 318.465 3.708 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000376532123 337036009 /nfs/dbraw/zinc/03/60/09/337036009.db2.gz RGCNZUWWEKSXAM-KBXCAEBGSA-N 1 1 307.397 3.545 20 30 DHEDMO C=C(C)CCc1noc([C@@H]2CCCN(c3ccc(C)c[nH+]3)C2)n1 ZINC000377457795 337052923 /nfs/dbraw/zinc/05/29/23/337052923.db2.gz BSPHIEUFMCFVMA-OAHLLOKOSA-N 1 1 312.417 3.666 20 30 DHEDMO N#CCCn1cc(C(=O)C[N@@H+]2C[C@H]3CCCC[C@H]32)c2ccccc21 ZINC000377791045 337061153 /nfs/dbraw/zinc/06/11/53/337061153.db2.gz YMYDCISSUBXOJU-CRAIPNDOSA-N 1 1 321.424 3.612 20 30 DHEDMO N#CCCn1cc(C(=O)C[N@H+]2C[C@H]3CCCC[C@H]32)c2ccccc21 ZINC000377791045 337061154 /nfs/dbraw/zinc/06/11/54/337061154.db2.gz YMYDCISSUBXOJU-CRAIPNDOSA-N 1 1 321.424 3.612 20 30 DHEDMO Cc1ccncc1C1=CC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000378441983 337072668 /nfs/dbraw/zinc/07/26/68/337072668.db2.gz LUWGEUIGFAVZPU-UHFFFAOYSA-N 1 1 307.372 3.690 20 30 DHEDMO Cc1ccncc1C1=CC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000378441983 337072669 /nfs/dbraw/zinc/07/26/69/337072669.db2.gz LUWGEUIGFAVZPU-UHFFFAOYSA-N 1 1 307.372 3.690 20 30 DHEDMO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000378515177 337074949 /nfs/dbraw/zinc/07/49/49/337074949.db2.gz FXHWLNLYEQABJS-ORYQWCPZSA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@H](NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000378515177 337074950 /nfs/dbraw/zinc/07/49/50/337074950.db2.gz FXHWLNLYEQABJS-ORYQWCPZSA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@H](NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000378515177 337074951 /nfs/dbraw/zinc/07/49/51/337074951.db2.gz FXHWLNLYEQABJS-ORYQWCPZSA-N 1 1 319.452 3.902 20 30 DHEDMO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000378648962 337077658 /nfs/dbraw/zinc/07/76/58/337077658.db2.gz LHRBEIRXPNBKIQ-ZFWWWQNUSA-N 1 1 321.346 3.938 20 30 DHEDMO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000378648962 337077659 /nfs/dbraw/zinc/07/76/59/337077659.db2.gz LHRBEIRXPNBKIQ-ZFWWWQNUSA-N 1 1 321.346 3.938 20 30 DHEDMO C[C@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000193929333 337080612 /nfs/dbraw/zinc/08/06/12/337080612.db2.gz SLTVNXDZJQTZPZ-HNNXBMFYSA-N 1 1 315.461 3.502 20 30 DHEDMO C#CCCOc1ccc(C[NH2+][C@H](C)c2ncc(C)s2)cc1 ZINC000175860087 337149359 /nfs/dbraw/zinc/14/93/59/337149359.db2.gz VGBVFKFTELGTPO-CQSZACIVSA-N 1 1 300.427 3.704 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccncc2)s1 ZINC000176956260 337153866 /nfs/dbraw/zinc/15/38/66/337153866.db2.gz YDCCZJWIHRIIGD-SFHVURJKSA-N 1 1 305.406 3.894 20 30 DHEDMO CCCO[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177153243 337154231 /nfs/dbraw/zinc/15/42/31/337154231.db2.gz UYAYXQVCMVCAMC-GOSISDBHSA-N 1 1 305.849 3.973 20 30 DHEDMO C=CC[N@H+](Cc1cnn2ccccc12)Cc1ccc(OC)cc1 ZINC000179438448 337169441 /nfs/dbraw/zinc/16/94/41/337169441.db2.gz NGMOBOZMGDLDIS-UHFFFAOYSA-N 1 1 307.397 3.531 20 30 DHEDMO C=CC[N@@H+](Cc1cnn2ccccc12)Cc1ccc(OC)cc1 ZINC000179438448 337169442 /nfs/dbraw/zinc/16/94/42/337169442.db2.gz NGMOBOZMGDLDIS-UHFFFAOYSA-N 1 1 307.397 3.531 20 30 DHEDMO CC[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000179941926 337172666 /nfs/dbraw/zinc/17/26/66/337172666.db2.gz HNCLWJFIKKLOKY-OAHLLOKOSA-N 1 1 308.429 3.581 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000185561560 337249061 /nfs/dbraw/zinc/24/90/61/337249061.db2.gz AOKLRXUBFAPDCM-BZSNNMDCSA-N 1 1 306.494 3.702 20 30 DHEDMO COc1ccc(C[NH+]2CCC(CC#N)CC2)cc1Br ZINC000397327081 337260102 /nfs/dbraw/zinc/26/01/02/337260102.db2.gz YIWQCNXRISBBLJ-UHFFFAOYSA-N 1 1 323.234 3.583 20 30 DHEDMO C[C@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000063308567 337277881 /nfs/dbraw/zinc/27/78/81/337277881.db2.gz SXNCNRLBMJNXDZ-INIZCTEOSA-N 1 1 323.440 3.860 20 30 DHEDMO C=CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000189943638 337283506 /nfs/dbraw/zinc/28/35/06/337283506.db2.gz BDPIEAKXBGTOOL-HKUYNNGSSA-N 1 1 314.473 3.537 20 30 DHEDMO C=CCC1(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCC1 ZINC000190107515 337285072 /nfs/dbraw/zinc/28/50/72/337285072.db2.gz PQXMCXXQOWZWGA-CVEARBPZSA-N 1 1 304.478 3.502 20 30 DHEDMO CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+](CCCCC#N)C1CC1 ZINC000190945095 337291540 /nfs/dbraw/zinc/29/15/40/337291540.db2.gz CSDQHNOCZITLQX-INIZCTEOSA-N 1 1 321.465 3.544 20 30 DHEDMO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1nc(-c2ccccc2)cs1 ZINC000190983563 337292078 /nfs/dbraw/zinc/29/20/78/337292078.db2.gz HPAZEQZRKPGCGJ-CYBMUJFWSA-N 1 1 322.437 3.871 20 30 DHEDMO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000191106475 337294100 /nfs/dbraw/zinc/29/41/00/337294100.db2.gz HGBCYEIRDMPCEC-MRXNPFEDSA-N 1 1 318.461 3.580 20 30 DHEDMO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000191106475 337294101 /nfs/dbraw/zinc/29/41/01/337294101.db2.gz HGBCYEIRDMPCEC-MRXNPFEDSA-N 1 1 318.461 3.580 20 30 DHEDMO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000191105614 337294105 /nfs/dbraw/zinc/29/41/05/337294105.db2.gz CMBNVCNABATQNX-CVEARBPZSA-N 1 1 318.461 3.662 20 30 DHEDMO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000191105614 337294106 /nfs/dbraw/zinc/29/41/06/337294106.db2.gz CMBNVCNABATQNX-CVEARBPZSA-N 1 1 318.461 3.662 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(N(C)CC)nc1 ZINC000191240275 337295141 /nfs/dbraw/zinc/29/51/41/337295141.db2.gz WNIIEXPAJSACEI-UHFFFAOYSA-N 1 1 322.456 3.822 20 30 DHEDMO N#CCCC[N@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191451870 337297056 /nfs/dbraw/zinc/29/70/56/337297056.db2.gz NPXLOCMHIOEYOT-UHFFFAOYSA-N 1 1 307.235 3.965 20 30 DHEDMO N#CCSCCC[N@@H+]1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191687393 337300475 /nfs/dbraw/zinc/30/04/75/337300475.db2.gz ARBHQSHSMHPIMK-ZDUSSCGKSA-N 1 1 310.413 3.791 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000583720357 337317703 /nfs/dbraw/zinc/31/77/03/337317703.db2.gz FIXRIGLWFDROCI-SFHVURJKSA-N 1 1 311.429 3.928 20 30 DHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000584612393 337372376 /nfs/dbraw/zinc/37/23/76/337372376.db2.gz UTITUOFOYXGCIG-AWEZNQCLSA-N 1 1 324.877 3.543 20 30 DHEDMO C[C@H](c1ccccc1)[NH+]1CCC(NCc2ccc(C#N)cc2)CC1 ZINC000116367472 337392690 /nfs/dbraw/zinc/39/26/90/337392690.db2.gz VWUQGBABDIYOCO-QGZVFWFLSA-N 1 1 319.452 3.873 20 30 DHEDMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)c(C)c1 ZINC000532930696 337393493 /nfs/dbraw/zinc/39/34/93/337393493.db2.gz OBTLSWCUGPNEMG-MRXNPFEDSA-N 1 1 321.424 3.807 20 30 DHEDMO C/C(=C\c1ccccc1)C[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000426372268 338029262 /nfs/dbraw/zinc/02/92/62/338029262.db2.gz NWYWXIAWRPAKTP-MHWRWJLKSA-N 1 1 316.408 3.741 20 30 DHEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H]3CCC[C@H]32)c2ccccc21 ZINC000426466953 338033041 /nfs/dbraw/zinc/03/30/41/338033041.db2.gz HOELEPBAMOKCKO-MAUKXSAKSA-N 1 1 321.424 3.612 20 30 DHEDMO C=CCC(C)(C)C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000429842492 338036623 /nfs/dbraw/zinc/03/66/23/338036623.db2.gz TUDDWCLOSWEPCA-SFHVURJKSA-N 1 1 314.473 3.542 20 30 DHEDMO C=CC[C@H](C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000426649907 338036991 /nfs/dbraw/zinc/03/69/91/338036991.db2.gz YWVRTCALSHUGFU-LNLFQRSKSA-N 1 1 314.473 3.583 20 30 DHEDMO Cc1cnc([C@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000428298644 338046274 /nfs/dbraw/zinc/04/62/74/338046274.db2.gz VGQPWFSNSDCIIW-HNNXBMFYSA-N 1 1 304.397 3.507 20 30 DHEDMO Cc1cnc([C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000428298644 338046275 /nfs/dbraw/zinc/04/62/75/338046275.db2.gz VGQPWFSNSDCIIW-HNNXBMFYSA-N 1 1 304.397 3.507 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000428386253 338049793 /nfs/dbraw/zinc/04/97/93/338049793.db2.gz HTJZKLNQFCBSIC-QGZVFWFLSA-N 1 1 309.388 3.774 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000428386253 338049794 /nfs/dbraw/zinc/04/97/94/338049794.db2.gz HTJZKLNQFCBSIC-QGZVFWFLSA-N 1 1 309.388 3.774 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@](CC)(CO)C2)cc1Cl ZINC000428447099 338051974 /nfs/dbraw/zinc/05/19/74/338051974.db2.gz LEITTZLIRNOJTL-SFHVURJKSA-N 1 1 323.864 3.889 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428919567 338065234 /nfs/dbraw/zinc/06/52/34/338065234.db2.gz GDOLKCGRODOOSM-LBPRGKRZSA-N 1 1 306.372 3.748 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428919567 338065235 /nfs/dbraw/zinc/06/52/35/338065235.db2.gz GDOLKCGRODOOSM-LBPRGKRZSA-N 1 1 306.372 3.748 20 30 DHEDMO C[N@H+](CCC#N)Cc1cccc2c(Br)cccc12 ZINC000429065048 338070175 /nfs/dbraw/zinc/07/01/75/338070175.db2.gz YPUQDXXLLOJLEI-UHFFFAOYSA-N 1 1 303.203 3.948 20 30 DHEDMO C[N@@H+](CCC#N)Cc1cccc2c(Br)cccc12 ZINC000429065048 338070176 /nfs/dbraw/zinc/07/01/76/338070176.db2.gz YPUQDXXLLOJLEI-UHFFFAOYSA-N 1 1 303.203 3.948 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429229429 338074009 /nfs/dbraw/zinc/07/40/09/338074009.db2.gz CRCVULREFKMTQQ-CVEARBPZSA-N 1 1 323.415 3.969 20 30 DHEDMO C[C@@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000429585964 338085162 /nfs/dbraw/zinc/08/51/62/338085162.db2.gz AUDHXARFWBSXRW-DOMZBBRYSA-N 1 1 319.836 3.661 20 30 DHEDMO CCOc1cc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)ccc1OC(F)F ZINC000429722397 338088553 /nfs/dbraw/zinc/08/85/53/338088553.db2.gz IHGCEFTZFMUZGI-TZMCWYRMSA-N 1 1 324.371 3.811 20 30 DHEDMO C=CCCCCCN(C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000448473251 338100053 /nfs/dbraw/zinc/10/00/53/338100053.db2.gz MEEMVPHCQHDLGQ-GOSISDBHSA-N 1 1 323.525 3.742 20 30 DHEDMO C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430183339 338100072 /nfs/dbraw/zinc/10/00/72/338100072.db2.gz AKANXRMBVXRALA-SKTWIKFTSA-N 1 1 319.408 3.510 20 30 DHEDMO N#CCCC[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1ccccc1 ZINC000433019763 338176574 /nfs/dbraw/zinc/17/65/74/338176574.db2.gz AFBRNCNLCFSNEQ-OAHLLOKOSA-N 1 1 322.368 3.854 20 30 DHEDMO C[C@H]1CC2(CCC2)C[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000433028072 338177261 /nfs/dbraw/zinc/17/72/61/338177261.db2.gz XYJGLYXDKMMGRV-HNNXBMFYSA-N 1 1 320.440 3.723 20 30 DHEDMO C[N@H+](CCc1cc(Cl)c2c(c1)OCCCO2)CC(C)(C)C#N ZINC000433325623 338192447 /nfs/dbraw/zinc/19/24/47/338192447.db2.gz JMZGAVRHMYGAQB-UHFFFAOYSA-N 1 1 322.836 3.525 20 30 DHEDMO C[N@@H+](CCc1cc(Cl)c2c(c1)OCCCO2)CC(C)(C)C#N ZINC000433325623 338192448 /nfs/dbraw/zinc/19/24/48/338192448.db2.gz JMZGAVRHMYGAQB-UHFFFAOYSA-N 1 1 322.836 3.525 20 30 DHEDMO C=C(C)[C@H]1OCC[C@@H]1CNc1c(C)c[nH+]c2c(OC)cccc12 ZINC000435593400 338243114 /nfs/dbraw/zinc/24/31/14/338243114.db2.gz QGZQRAIPAZREGP-AUUYWEPGSA-N 1 1 312.413 3.945 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C(C1CC1)C1CC1 ZINC000437401655 338309025 /nfs/dbraw/zinc/30/90/25/338309025.db2.gz ATBMBJXSBHYZDP-UHFFFAOYSA-N 1 1 306.356 3.780 20 30 DHEDMO C[N@@H+](CCc1ccccc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437409960 338309149 /nfs/dbraw/zinc/30/91/49/338309149.db2.gz HVTKCNYIVRJLSA-UHFFFAOYSA-N 1 1 316.351 3.834 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000438487383 338345774 /nfs/dbraw/zinc/34/57/74/338345774.db2.gz DSFWYDPBNKNQFN-HXUWFJFHSA-N 1 1 306.409 3.730 20 30 DHEDMO CC(C)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000438486286 338345843 /nfs/dbraw/zinc/34/58/43/338345843.db2.gz GPPLGNMMJFPHMM-AWEZNQCLSA-N 1 1 319.836 3.518 20 30 DHEDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1Cl ZINC000439430427 338369211 /nfs/dbraw/zinc/36/92/11/338369211.db2.gz LWNALWIGWPYNMD-MRXNPFEDSA-N 1 1 305.853 3.518 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1Cl)C[C@H]1CCCCO1 ZINC000439434941 338369276 /nfs/dbraw/zinc/36/92/76/338369276.db2.gz FYFJWLMLOGFWAK-MRXNPFEDSA-N 1 1 306.837 3.993 20 30 DHEDMO COc1ccc(C[N@H+](C)CC#Cc2cccc(Cl)c2)cc1O ZINC000156768336 338383152 /nfs/dbraw/zinc/38/31/52/338383152.db2.gz XGRZYDWSXPMUAG-UHFFFAOYSA-N 1 1 315.800 3.538 20 30 DHEDMO COc1ccc(C[N@@H+](C)CC#Cc2cccc(Cl)c2)cc1O ZINC000156768336 338383153 /nfs/dbraw/zinc/38/31/53/338383153.db2.gz XGRZYDWSXPMUAG-UHFFFAOYSA-N 1 1 315.800 3.538 20 30 DHEDMO C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1ccc(C#N)cc1F ZINC000453266188 338816175 /nfs/dbraw/zinc/81/61/75/338816175.db2.gz KXHJFRZPJDIDFF-SNVBAGLBSA-N 1 1 323.293 3.962 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000459339853 339022927 /nfs/dbraw/zinc/02/29/27/339022927.db2.gz MHJFEGNYDSJLKL-MRXNPFEDSA-N 1 1 321.380 3.531 20 30 DHEDMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000459471300 339031201 /nfs/dbraw/zinc/03/12/01/339031201.db2.gz SWCFOTBKFSQRTA-IEBWSBKVSA-N 1 1 319.408 3.721 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000459482633 339031949 /nfs/dbraw/zinc/03/19/49/339031949.db2.gz YHAUWUFCTOYRFV-INIZCTEOSA-N 1 1 313.382 3.769 20 30 DHEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000459716881 339044038 /nfs/dbraw/zinc/04/40/38/339044038.db2.gz QCNVLJGLRATHAF-KRWDZBQOSA-N 1 1 300.446 3.879 20 30 DHEDMO CC#CCC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000462346334 339076282 /nfs/dbraw/zinc/07/62/82/339076282.db2.gz DGDDMAWDPCZURV-BBRMVZONSA-N 1 1 322.246 3.624 20 30 DHEDMO CC#CCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000462346334 339076283 /nfs/dbraw/zinc/07/62/83/339076283.db2.gz DGDDMAWDPCZURV-BBRMVZONSA-N 1 1 322.246 3.624 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000464798502 339154466 /nfs/dbraw/zinc/15/44/66/339154466.db2.gz JKNUFGGHJYQETN-UHFFFAOYSA-N 1 1 304.459 3.635 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000464798502 339154467 /nfs/dbraw/zinc/15/44/67/339154467.db2.gz JKNUFGGHJYQETN-UHFFFAOYSA-N 1 1 304.459 3.635 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000464854316 339158180 /nfs/dbraw/zinc/15/81/80/339158180.db2.gz ONKBZEQCBXEFDB-RDJZCZTQSA-N 1 1 323.358 3.558 20 30 DHEDMO C=CC[C@H](CC)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000466391562 339202155 /nfs/dbraw/zinc/20/21/55/339202155.db2.gz HHGHWHLWFCIRTH-SQNIBIBYSA-N 1 1 321.509 3.637 20 30 DHEDMO CCC[C@@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000466475065 339206553 /nfs/dbraw/zinc/20/65/53/339206553.db2.gz QVVMKECKTGEDEH-CQSZACIVSA-N 1 1 319.474 3.687 20 30 DHEDMO CCC[C@@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000466475065 339206554 /nfs/dbraw/zinc/20/65/54/339206554.db2.gz QVVMKECKTGEDEH-CQSZACIVSA-N 1 1 319.474 3.687 20 30 DHEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000467294576 339230121 /nfs/dbraw/zinc/23/01/21/339230121.db2.gz AISMUUKFNNPINU-JKSUJKDBSA-N 1 1 310.441 3.913 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000467519123 339240875 /nfs/dbraw/zinc/24/08/75/339240875.db2.gz PRIRUWFAPRGBIL-ICSRJNTNSA-N 1 1 314.473 3.542 20 30 DHEDMO C=CCC(CC=C)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000467822429 339247038 /nfs/dbraw/zinc/24/70/38/339247038.db2.gz BEHWWJAIRQFXHH-IYBDPMFKSA-N 1 1 306.494 3.628 20 30 DHEDMO C=C[C@](C)(CC)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000468104029 339254120 /nfs/dbraw/zinc/25/41/20/339254120.db2.gz NRHROQUHGQKIMK-HXUWFJFHSA-N 1 1 314.473 3.542 20 30 DHEDMO C=C[C@H](CC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC000468480245 339263723 /nfs/dbraw/zinc/26/37/23/339263723.db2.gz UCFLCIATPUUSAG-AEFFLSMTSA-N 1 1 314.473 3.583 20 30 DHEDMO C[N@H+](CCCOc1ccc(F)cc1)Cc1cc(F)ccc1C#N ZINC000469276273 339284876 /nfs/dbraw/zinc/28/48/76/339284876.db2.gz UQLOLCWQRNNSPE-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1cc(F)ccc1C#N ZINC000469276273 339284877 /nfs/dbraw/zinc/28/48/77/339284877.db2.gz UQLOLCWQRNNSPE-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO C=CCOCCC[N@H+](C)Cc1cc(Br)ccc1F ZINC000470715117 339325760 /nfs/dbraw/zinc/32/57/60/339325760.db2.gz CAEJAWLWPIXZJM-UHFFFAOYSA-N 1 1 316.214 3.613 20 30 DHEDMO C=CCOCCC[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000470775069 339327695 /nfs/dbraw/zinc/32/76/95/339327695.db2.gz WEDQARBUBRUILM-UHFFFAOYSA-N 1 1 300.229 3.944 20 30 DHEDMO C=CCOCCC[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000470775069 339327696 /nfs/dbraw/zinc/32/76/96/339327696.db2.gz WEDQARBUBRUILM-UHFFFAOYSA-N 1 1 300.229 3.944 20 30 DHEDMO CO[C@]1(C)CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000470909185 339330593 /nfs/dbraw/zinc/33/05/93/339330593.db2.gz ONZNIQVIEXBEIJ-MRXNPFEDSA-N 1 1 311.347 3.558 20 30 DHEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471170000 339339288 /nfs/dbraw/zinc/33/92/88/339339288.db2.gz QRNICVRJUGHYDG-LJQANCHMSA-N 1 1 323.415 3.798 20 30 DHEDMO COC[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(Cl)cc1 ZINC000479439451 339535147 /nfs/dbraw/zinc/53/51/47/339535147.db2.gz QHQWITNRYOFXOV-MRXNPFEDSA-N 1 1 318.779 3.828 20 30 DHEDMO CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC#N ZINC000496310137 340002820 /nfs/dbraw/zinc/00/28/20/340002820.db2.gz NNSKOPIGALEMRU-INIZCTEOSA-N 1 1 315.417 3.914 20 30 DHEDMO C=CCC(C)(C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000499624652 340041400 /nfs/dbraw/zinc/04/14/00/340041400.db2.gz CWFDXKZAVZSHNI-GOSISDBHSA-N 1 1 314.473 3.712 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000501206546 340076029 /nfs/dbraw/zinc/07/60/29/340076029.db2.gz SMUFJVLKLNXGEG-UHFFFAOYSA-N 1 1 314.816 3.895 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000501256888 340077422 /nfs/dbraw/zinc/07/74/22/340077422.db2.gz JFSGGYKSNLRRIT-IBGZPJMESA-N 1 1 306.409 3.774 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)Cc2ccc(C#N)cc2OC)cc1 ZINC000501269893 340077536 /nfs/dbraw/zinc/07/75/36/340077536.db2.gz RSDPQDGJPZEKOH-UHFFFAOYSA-N 1 1 324.424 3.640 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC000501418928 340080436 /nfs/dbraw/zinc/08/04/36/340080436.db2.gz MJTMKRPSUOFYDM-MLGOLLRUSA-N 1 1 324.262 3.523 20 30 DHEDMO N#CC1(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000501532970 340082836 /nfs/dbraw/zinc/08/28/36/340082836.db2.gz PMUXUPZVHCQAEY-GFCCVEGCSA-N 1 1 311.212 3.750 20 30 DHEDMO N#CC1(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000501532970 340082837 /nfs/dbraw/zinc/08/28/37/340082837.db2.gz PMUXUPZVHCQAEY-GFCCVEGCSA-N 1 1 311.212 3.750 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000502442840 340103783 /nfs/dbraw/zinc/10/37/83/340103783.db2.gz CZNZGZSZFUZJRP-KSZLIROESA-N 1 1 314.473 3.568 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000502442840 340103784 /nfs/dbraw/zinc/10/37/84/340103784.db2.gz CZNZGZSZFUZJRP-KSZLIROESA-N 1 1 314.473 3.568 20 30 DHEDMO C=CCCC[C@H](C)[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503268799 340124441 /nfs/dbraw/zinc/12/44/41/340124441.db2.gz KVEVGYARZPZWIV-DLBZAZTESA-N 1 1 302.462 3.883 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000503594751 340131997 /nfs/dbraw/zinc/13/19/97/340131997.db2.gz RERCESNRUKTUFH-INIZCTEOSA-N 1 1 310.372 3.566 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000505016538 340158859 /nfs/dbraw/zinc/15/88/59/340158859.db2.gz ITULSIHCEKYCLA-MRXNPFEDSA-N 1 1 315.461 3.611 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000505870237 340180317 /nfs/dbraw/zinc/18/03/17/340180317.db2.gz VALFJPVHCKPHKL-MRXNPFEDSA-N 1 1 310.372 3.598 20 30 DHEDMO CC[N@H+](CCOc1c(Cl)cccc1Cl)C[C@@H](C)C#N ZINC000506055995 340184439 /nfs/dbraw/zinc/18/44/39/340184439.db2.gz IVYQSEREPDSUFH-NSHDSACASA-N 1 1 301.217 3.854 20 30 DHEDMO CC[N@@H+](CCOc1c(Cl)cccc1Cl)C[C@@H](C)C#N ZINC000506055995 340184440 /nfs/dbraw/zinc/18/44/40/340184440.db2.gz IVYQSEREPDSUFH-NSHDSACASA-N 1 1 301.217 3.854 20 30 DHEDMO C=CCC[N@@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000516600187 340191897 /nfs/dbraw/zinc/19/18/97/340191897.db2.gz UETPKEFBCAYCFV-AWEZNQCLSA-N 1 1 321.770 3.684 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)CC ZINC000507693117 340228484 /nfs/dbraw/zinc/22/84/84/340228484.db2.gz JMZUDTYPGBEIBY-KRWDZBQOSA-N 1 1 302.462 3.712 20 30 DHEDMO C=C(C)CC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000509297403 340265605 /nfs/dbraw/zinc/26/56/05/340265605.db2.gz ZMHQRIQPOJCOEU-HNNXBMFYSA-N 1 1 310.235 3.789 20 30 DHEDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1ccc(C#N)cc1F ZINC000509533863 340272570 /nfs/dbraw/zinc/27/25/70/340272570.db2.gz UJVRRIGHGJAUHJ-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO COc1cc(C[N@H+](C)C[C@H](C)C#N)c(-c2ccccc2)cc1OC ZINC000509776217 340278809 /nfs/dbraw/zinc/27/88/09/340278809.db2.gz XZDBZPZKTJFZNS-OAHLLOKOSA-N 1 1 324.424 3.962 20 30 DHEDMO COc1cc(C[N@@H+](C)C[C@H](C)C#N)c(-c2ccccc2)cc1OC ZINC000509776217 340278810 /nfs/dbraw/zinc/27/88/10/340278810.db2.gz XZDBZPZKTJFZNS-OAHLLOKOSA-N 1 1 324.424 3.962 20 30 DHEDMO C=C(C)CC[NH+]1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000510746679 340309316 /nfs/dbraw/zinc/30/93/16/340309316.db2.gz MDROMMRNXCUSME-UHFFFAOYSA-N 1 1 314.454 3.625 20 30 DHEDMO C=C(C)CN(CC)C(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000511447261 340327439 /nfs/dbraw/zinc/32/74/39/340327439.db2.gz WRDLSROVWHJVPB-UHFFFAOYSA-N 1 1 302.462 3.957 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)s1 ZINC000511471263 340327862 /nfs/dbraw/zinc/32/78/62/340327862.db2.gz JATKBMYEAHOEAO-HNNXBMFYSA-N 1 1 300.402 3.966 20 30 DHEDMO CC(C)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000303575747 340335107 /nfs/dbraw/zinc/33/51/07/340335107.db2.gz CNYLECZAYHHAGS-JKSUJKDBSA-N 1 1 313.445 3.643 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](CC)C2)ccc1OC ZINC000511837745 340339839 /nfs/dbraw/zinc/33/98/39/340339839.db2.gz JCUHVGIYOALXFR-WBVHZDCISA-N 1 1 319.445 3.649 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](CC)C2)ccc1OC ZINC000511837745 340339840 /nfs/dbraw/zinc/33/98/40/340339840.db2.gz JCUHVGIYOALXFR-WBVHZDCISA-N 1 1 319.445 3.649 20 30 DHEDMO C=C(C)C[N@@H+](CCOc1cccc(C)c1)Cc1ccc(CO)o1 ZINC000512193641 340351723 /nfs/dbraw/zinc/35/17/23/340351723.db2.gz IRMJCGRBTXENKU-UHFFFAOYSA-N 1 1 315.413 3.537 20 30 DHEDMO C[C@H]1CCCCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000512208954 340352389 /nfs/dbraw/zinc/35/23/89/340352389.db2.gz JZPSBYNUIGCUAA-ZDUSSCGKSA-N 1 1 319.836 3.805 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1F)[C@H]1CCCN(c2ccccc2)C1 ZINC000512411289 340360864 /nfs/dbraw/zinc/36/08/64/340360864.db2.gz XHTIJKWRDNQDDE-IBGZPJMESA-N 1 1 323.415 3.798 20 30 DHEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000512415681 340361174 /nfs/dbraw/zinc/36/11/74/340361174.db2.gz NYZSUHZXBKQQAJ-RDJZCZTQSA-N 1 1 305.849 3.707 20 30 DHEDMO C[C@@H]([NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512634841 340370156 /nfs/dbraw/zinc/37/01/56/340370156.db2.gz FHCGMQUFESCULV-CLCXKQKWSA-N 1 1 317.452 3.858 20 30 DHEDMO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174840792 340397272 /nfs/dbraw/zinc/39/72/72/340397272.db2.gz RJTKZCOOOPFVJW-HNNXBMFYSA-N 1 1 323.481 3.648 20 30 DHEDMO CCc1ccc(C[NH+]2CCN(CCCC(C)(C)C#N)CC2)s1 ZINC000174870318 340397916 /nfs/dbraw/zinc/39/79/16/340397916.db2.gz WVDCJPCGDZNRKQ-UHFFFAOYSA-N 1 1 319.518 3.758 20 30 DHEDMO CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC(C)C ZINC000174863333 340398022 /nfs/dbraw/zinc/39/80/22/340398022.db2.gz AKSQNFSYRZTTDT-UHFFFAOYSA-N 1 1 311.429 3.716 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000189876221 340540674 /nfs/dbraw/zinc/54/06/74/340540674.db2.gz JHDLYTZMERCLSC-WBVHZDCISA-N 1 1 308.853 3.661 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000542318855 341004558 /nfs/dbraw/zinc/00/45/58/341004558.db2.gz HXDHZDAWTHZWGD-SFHVURJKSA-N 1 1 306.409 3.865 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000542630599 341015332 /nfs/dbraw/zinc/01/53/32/341015332.db2.gz KBHBFONSBATDJI-DYESRHJHSA-N 1 1 320.436 3.953 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000542630599 341015333 /nfs/dbraw/zinc/01/53/33/341015333.db2.gz KBHBFONSBATDJI-DYESRHJHSA-N 1 1 320.436 3.953 20 30 DHEDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CC#N)CC1 ZINC000542879494 341024975 /nfs/dbraw/zinc/02/49/75/341024975.db2.gz QMFUOZDDGYJXLV-UHFFFAOYSA-N 1 1 317.389 3.508 20 30 DHEDMO N#CCC1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000543806585 341059915 /nfs/dbraw/zinc/05/99/15/341059915.db2.gz FRLUKUQDGLRLRG-UHFFFAOYSA-N 1 1 313.228 3.998 20 30 DHEDMO CN(C[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1)C(=O)OC(C)(C)C ZINC000131373594 341082560 /nfs/dbraw/zinc/08/25/60/341082560.db2.gz NKYXCLZROHGQES-HNNXBMFYSA-N 1 1 323.481 3.505 20 30 DHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000544699192 341091481 /nfs/dbraw/zinc/09/14/81/341091481.db2.gz XWNCWZGDYCMIEE-VQTJNVASSA-N 1 1 323.436 3.602 20 30 DHEDMO CCCC[N@@H+](CC)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000132669698 341139081 /nfs/dbraw/zinc/13/90/81/341139081.db2.gz JGZGYVQQTOARDE-GFCCVEGCSA-N 1 1 319.474 3.557 20 30 DHEDMO C[C@@H](NC(C)(C)C[NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC000074372296 341144859 /nfs/dbraw/zinc/14/48/59/341144859.db2.gz BYDVBKSTDDHUPW-MRXNPFEDSA-N 1 1 307.441 3.777 20 30 DHEDMO C=C(C)C[NH+]1CCC([NH2+]Cc2cc(F)cc3cccnc32)CC1 ZINC000133107428 341154766 /nfs/dbraw/zinc/15/47/66/341154766.db2.gz JILXRODKFQMEHM-UHFFFAOYSA-N 1 1 313.420 3.504 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2cc(F)cc3cccnc32)CC1 ZINC000133107428 341154767 /nfs/dbraw/zinc/15/47/67/341154767.db2.gz JILXRODKFQMEHM-UHFFFAOYSA-N 1 1 313.420 3.504 20 30 DHEDMO CO[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000076345526 341205897 /nfs/dbraw/zinc/20/58/97/341205897.db2.gz ACIGMSMLXFVUGX-IBGZPJMESA-N 1 1 306.409 3.836 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccccc1SCC=C ZINC000076734806 341213187 /nfs/dbraw/zinc/21/31/87/341213187.db2.gz QGBNCLGYFOUINN-UHFFFAOYSA-N 1 1 304.459 3.801 20 30 DHEDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(OC)c(C#N)c2)c1 ZINC000134950120 341227075 /nfs/dbraw/zinc/22/70/75/341227075.db2.gz ACFYCZUIFRQSEP-IBGZPJMESA-N 1 1 322.408 3.913 20 30 DHEDMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1C(C)(C)C#N ZINC000135105223 341230942 /nfs/dbraw/zinc/23/09/42/341230942.db2.gz SVHJGQUMURIGMP-UHFFFAOYSA-N 1 1 322.408 3.848 20 30 DHEDMO C[N@@H+](CC#Cc1ccccc1Cl)[C@H](CCO)c1ccccc1 ZINC000135104420 341230953 /nfs/dbraw/zinc/23/09/53/341230953.db2.gz WEGOPCMWDGQMOR-LJQANCHMSA-N 1 1 313.828 3.747 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CCC1CC1 ZINC000135283271 341235349 /nfs/dbraw/zinc/23/53/49/341235349.db2.gz IJVREJUSNSSWSY-UHFFFAOYSA-N 1 1 304.459 3.635 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCC(C)(C)C#N ZINC000547841207 341236978 /nfs/dbraw/zinc/23/69/78/341236978.db2.gz DYZKIFXYXLOAKZ-OAGGEKHMSA-N 1 1 320.477 3.901 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000548097993 341246997 /nfs/dbraw/zinc/24/69/97/341246997.db2.gz YSZKOAJLWRPBDJ-INIZCTEOSA-N 1 1 304.409 3.747 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC[C@H](C#N)CCC#N)cc1 ZINC000549191365 341288529 /nfs/dbraw/zinc/28/85/29/341288529.db2.gz NWPWVZGARAFLOL-PXNSSMCTSA-N 1 1 324.472 3.594 20 30 DHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)[C@H]1CC[C@H](C#N)C1 ZINC000549405484 341293412 /nfs/dbraw/zinc/29/34/12/341293412.db2.gz TVLYOYOGVRKPCU-RDJZCZTQSA-N 1 1 309.413 3.898 20 30 DHEDMO CC#CC[N@H+](C)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000550489572 341317672 /nfs/dbraw/zinc/31/76/72/341317672.db2.gz MSYBUNNSXJNMNJ-UHFFFAOYSA-N 1 1 314.816 3.769 20 30 DHEDMO CC#CC[N@@H+](C)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000550489572 341317673 /nfs/dbraw/zinc/31/76/73/341317673.db2.gz MSYBUNNSXJNMNJ-UHFFFAOYSA-N 1 1 314.816 3.769 20 30 DHEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000550541573 341318187 /nfs/dbraw/zinc/31/81/87/341318187.db2.gz WYNNGROJZLFTFE-KRWDZBQOSA-N 1 1 306.494 3.750 20 30 DHEDMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000247255263 341362776 /nfs/dbraw/zinc/36/27/76/341362776.db2.gz FCGGNGDXNVETAH-JXFKEZNVSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000247255263 341362777 /nfs/dbraw/zinc/36/27/77/341362777.db2.gz FCGGNGDXNVETAH-JXFKEZNVSA-N 1 1 306.409 3.829 20 30 DHEDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266525296 518939204 /nfs/dbraw/zinc/93/92/04/518939204.db2.gz JXSQWGRELUTKSH-HNNXBMFYSA-N 1 1 310.401 3.619 20 30 DHEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CCCC1 ZINC000179932578 521428499 /nfs/dbraw/zinc/42/84/99/521428499.db2.gz AGHNOXZQYJNQEH-UHFFFAOYSA-N 1 1 308.429 3.723 20 30 DHEDMO CC[C@H](C)[C@H](C)[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000106439543 521922170 /nfs/dbraw/zinc/92/21/70/521922170.db2.gz RTEXLBNLMWKPBC-GJZGRUSLSA-N 1 1 313.445 3.786 20 30 DHEDMO C[N@@H+](CCCCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000181515610 522726643 /nfs/dbraw/zinc/72/66/43/522726643.db2.gz LPIJETSBYSJMAK-UHFFFAOYSA-N 1 1 302.418 3.502 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1 ZINC000158575275 524116337 /nfs/dbraw/zinc/11/63/37/524116337.db2.gz NJJFREHQGUJAFJ-CQSZACIVSA-N 1 1 322.412 3.513 20 30 DHEDMO C[C@H]([NH2+]Cc1nccn1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000338363942 525492165 /nfs/dbraw/zinc/49/21/65/525492165.db2.gz SFELVLSZLUCFGA-INIZCTEOSA-N 1 1 316.408 3.654 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000265231602 526036966 /nfs/dbraw/zinc/03/69/66/526036966.db2.gz QSXRCVMMHATBPV-YWZLYKJASA-N 1 1 306.409 3.865 20 30 DHEDMO C[N@H+]1CCC[C@@H]1CCSc1nc(C(F)(F)F)ccc1C#N ZINC000275015256 536370765 /nfs/dbraw/zinc/37/07/65/536370765.db2.gz ODOBXVDLXZGJCO-LLVKDONJSA-N 1 1 315.364 3.548 20 30 DHEDMO C=CC[N@H+](CC(=O)NCCC1=CCCCC1)Cc1ccccc1 ZINC000105936862 1032058681 /nfs/dbraw/zinc/05/86/81/1032058681.db2.gz YMYPFOSQUWHJRB-UHFFFAOYSA-N 1 1 312.457 3.681 20 30 DHEDMO C=CC[N@@H+](CC(=O)NCCC1=CCCCC1)Cc1ccccc1 ZINC000105936862 1032058698 /nfs/dbraw/zinc/05/86/98/1032058698.db2.gz YMYPFOSQUWHJRB-UHFFFAOYSA-N 1 1 312.457 3.681 20 30 DHEDMO Cc1nsc(NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1C#N ZINC000339969328 1013179948 /nfs/dbraw/zinc/17/99/48/1013179948.db2.gz PSKLFRWQKYEYBZ-AWEZNQCLSA-N 1 1 320.849 3.691 20 30 DHEDMO C=CCCCCCC[N@H+]1CCCN(Cc2ccncc2)CC1 ZINC001209431299 1013273873 /nfs/dbraw/zinc/27/38/73/1013273873.db2.gz LHJRUHXDFKNZQW-UHFFFAOYSA-N 1 1 301.478 3.726 20 30 DHEDMO C=CCCCCC[N@H+](C)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001209432963 1013274720 /nfs/dbraw/zinc/27/47/20/1013274720.db2.gz OLSZFZFLIYAQEP-HXUWFJFHSA-N 1 1 316.489 3.566 20 30 DHEDMO C=CCCCCCCC[N@@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001209442250 1013289977 /nfs/dbraw/zinc/28/99/77/1013289977.db2.gz OYOFCPIBBPEDIK-MRXNPFEDSA-N 1 1 307.413 3.595 20 30 DHEDMO C=CCCCCCCC[N@@H+]1CC[C@H](Oc2nccc(C)n2)C1 ZINC001209442288 1013290256 /nfs/dbraw/zinc/29/02/56/1013290256.db2.gz QEQOADVUYHIZQW-KRWDZBQOSA-N 1 1 303.450 3.765 20 30 DHEDMO C=CCCCCCCC[N@@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001209442246 1013291176 /nfs/dbraw/zinc/29/11/76/1013291176.db2.gz OYOFCPIBBPEDIK-INIZCTEOSA-N 1 1 307.413 3.595 20 30 DHEDMO COCC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@@H](C)c1ccccc1 ZINC000340142651 1013350932 /nfs/dbraw/zinc/35/09/32/1013350932.db2.gz HYYOVHITTYFMLF-INIZCTEOSA-N 1 1 324.424 3.776 20 30 DHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC(C)(C)CO1 ZINC001167241377 1013435845 /nfs/dbraw/zinc/43/58/45/1013435845.db2.gz ZOVXGBBCEDLFQQ-SFHVURJKSA-N 1 1 300.446 3.831 20 30 DHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC000579904844 1013493926 /nfs/dbraw/zinc/49/39/26/1013493926.db2.gz WMICMDWOZYHZIJ-SFHVURJKSA-N 1 1 324.399 3.913 20 30 DHEDMO COc1c(Br)cccc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001140155195 1013557383 /nfs/dbraw/zinc/55/73/83/1013557383.db2.gz PBULJJRILIEZGL-GFCCVEGCSA-N 1 1 323.234 3.583 20 30 DHEDMO COc1c(Br)cccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001140155195 1013557391 /nfs/dbraw/zinc/55/73/91/1013557391.db2.gz PBULJJRILIEZGL-GFCCVEGCSA-N 1 1 323.234 3.583 20 30 DHEDMO Cc1cc[nH+]c(N)c1CNc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000894889233 1013627743 /nfs/dbraw/zinc/62/77/43/1013627743.db2.gz OYFDGVQZECAORX-UHFFFAOYSA-N 1 1 310.401 3.633 20 30 DHEDMO N#Cc1cccc(Cl)c1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000520307151 1013702794 /nfs/dbraw/zinc/70/27/94/1013702794.db2.gz BJBFNYNXISORSM-INIZCTEOSA-N 1 1 311.816 3.898 20 30 DHEDMO C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000328929602 1013808815 /nfs/dbraw/zinc/80/88/15/1013808815.db2.gz YQYMVGHHBLQNOW-DOTOQJQBSA-N 1 1 324.428 3.723 20 30 DHEDMO C=C(C)C[C@H](C)c1nc(CCCCn2c[nH+]c(C)c2C)no1 ZINC000656037539 1013942592 /nfs/dbraw/zinc/94/25/92/1013942592.db2.gz HYRTWQXSFRNHHE-ZDUSSCGKSA-N 1 1 302.422 3.976 20 30 DHEDMO Cc1cnc([C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)s1 ZINC000175858600 1013945235 /nfs/dbraw/zinc/94/52/35/1013945235.db2.gz YSLDZBDAMGXVMA-YPMHNXCESA-N 1 1 301.415 3.593 20 30 DHEDMO CC1(C)CN([C@@H](C#N)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001167347657 1013998341 /nfs/dbraw/zinc/99/83/41/1013998341.db2.gz XBQOWAFDMDBGPT-FQEVSTJZSA-N 1 1 319.452 3.848 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)cc1F ZINC000616756143 1014065376 /nfs/dbraw/zinc/06/53/76/1014065376.db2.gz LLQDTWWKTGOPKZ-GOSISDBHSA-N 1 1 312.413 3.987 20 30 DHEDMO CC[N@@H+](Cc1ccnc(N(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000782176594 1014079973 /nfs/dbraw/zinc/07/99/73/1014079973.db2.gz WQAUAGBDDMYKLN-HNNXBMFYSA-N 1 1 308.429 3.602 20 30 DHEDMO N#CCSCCC[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000610412578 1014081782 /nfs/dbraw/zinc/08/17/82/1014081782.db2.gz XDPBLTZZBMPWTF-MRXNPFEDSA-N 1 1 313.470 3.994 20 30 DHEDMO C=CC[N@H+](C[C@H](C)NC(=O)OC(C)(C)C)CC1CCCCC1 ZINC001167390913 1014111098 /nfs/dbraw/zinc/11/10/98/1014111098.db2.gz CAFLZKPMXNECFP-HNNXBMFYSA-N 1 1 310.482 3.968 20 30 DHEDMO N#Cc1ccccc1COc1cccc(C[NH2+]CC2(C#N)CC2)c1 ZINC000580513208 1014187753 /nfs/dbraw/zinc/18/77/53/1014187753.db2.gz RPTAZOVKQRTQDZ-UHFFFAOYSA-N 1 1 317.392 3.531 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000931290853 1032091433 /nfs/dbraw/zinc/09/14/33/1032091433.db2.gz RBTWVZYSDOBFQU-QGZVFWFLSA-N 1 1 315.461 3.752 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000155891305 1014414591 /nfs/dbraw/zinc/41/45/91/1014414591.db2.gz MKMUNGRCVZWFPC-GOSISDBHSA-N 1 1 300.446 3.589 20 30 DHEDMO CO[C@@H](C)c1nc(CO[NH+]=C(N)C2CCCCCC2)cs1 ZINC000179004108 1014440584 /nfs/dbraw/zinc/44/05/84/1014440584.db2.gz SJUKSYGTPMANRC-NSHDSACASA-N 1 1 311.451 3.610 20 30 DHEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000487413613 1014611324 /nfs/dbraw/zinc/61/13/24/1014611324.db2.gz UXNVFKDEIRPUDW-FUHWJXTLSA-N 1 1 313.489 3.792 20 30 DHEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000487413613 1014611331 /nfs/dbraw/zinc/61/13/31/1014611331.db2.gz UXNVFKDEIRPUDW-FUHWJXTLSA-N 1 1 313.489 3.792 20 30 DHEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000487413613 1014611334 /nfs/dbraw/zinc/61/13/34/1014611334.db2.gz UXNVFKDEIRPUDW-FUHWJXTLSA-N 1 1 313.489 3.792 20 30 DHEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000487413613 1014611340 /nfs/dbraw/zinc/61/13/40/1014611340.db2.gz UXNVFKDEIRPUDW-FUHWJXTLSA-N 1 1 313.489 3.792 20 30 DHEDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)n1 ZINC000933128466 1014682597 /nfs/dbraw/zinc/68/25/97/1014682597.db2.gz USAXCXZZEMZCPL-QGZVFWFLSA-N 1 1 311.454 3.582 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@H](c3cccc(C)c3)C2)ccc1C#N ZINC000442839223 1014747219 /nfs/dbraw/zinc/74/72/19/1014747219.db2.gz VMQPJRVTEJFLQP-IBGZPJMESA-N 1 1 306.409 3.865 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)cc1Cl ZINC000443062084 1014797274 /nfs/dbraw/zinc/79/72/74/1014797274.db2.gz AFKUIXAWVDUZTK-HIFRSBDPSA-N 1 1 309.837 3.904 20 30 DHEDMO Cc1ncsc1/C=C\C(=O)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000255302029 1014831346 /nfs/dbraw/zinc/83/13/46/1014831346.db2.gz OVIIYSMISKVPOA-FPLPWBNLSA-N 1 1 309.394 3.842 20 30 DHEDMO C[N@H+]1CCC[C@H](c2nc(-c3ccc(C(C)(C)C)cc3C#N)no2)C1 ZINC001211877607 1014911902 /nfs/dbraw/zinc/91/19/02/1014911902.db2.gz VIHJVHHEAZUOBE-ZDUSSCGKSA-N 1 1 324.428 3.715 20 30 DHEDMO N#CCC1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000581480753 1014923237 /nfs/dbraw/zinc/92/32/37/1014923237.db2.gz XDZIFDHCFOVAMC-UHFFFAOYSA-N 1 1 303.456 3.997 20 30 DHEDMO C#CCOCC[N@@H+](Cc1ccccc1Br)C(C)(C)C ZINC001168017282 1014923475 /nfs/dbraw/zinc/92/34/75/1014923475.db2.gz HJBUTINGOAGBJR-UHFFFAOYSA-N 1 1 324.262 3.699 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](CC3(Br)CC3)CC2)cc1 ZINC000846839592 1032106130 /nfs/dbraw/zinc/10/61/30/1032106130.db2.gz LTPJSOYQIMWZDV-UHFFFAOYSA-N 1 1 317.230 3.575 20 30 DHEDMO C#CCC1([NH2+][C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CCC1 ZINC000933300619 1014973813 /nfs/dbraw/zinc/97/38/13/1014973813.db2.gz BFQBWQNFEIZZES-CYBMUJFWSA-N 1 1 313.376 3.781 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931365533 1032107934 /nfs/dbraw/zinc/10/79/34/1032107934.db2.gz LGEPLWYQSRTGEN-QGZVFWFLSA-N 1 1 316.408 3.814 20 30 DHEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)C1(C)C ZINC001167473067 1015034386 /nfs/dbraw/zinc/03/43/86/1015034386.db2.gz FTJDIMTZOAHRIK-HOTGVXAUSA-N 1 1 306.837 3.847 20 30 DHEDMO C=C(Cl)C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000067486541 1015041042 /nfs/dbraw/zinc/04/10/42/1015041042.db2.gz QEJMVZMUKCVGTG-HNNXBMFYSA-N 1 1 300.229 3.838 20 30 DHEDMO C=CCN(CC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001207200132 1015083478 /nfs/dbraw/zinc/08/34/78/1015083478.db2.gz ZHOOLBLLOHKBLX-IYBDPMFKSA-N 1 1 308.466 3.532 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)Cc2ccccc2F)c(O)c(OC)c1 ZINC000216024592 1015166311 /nfs/dbraw/zinc/16/63/11/1015166311.db2.gz MTXXEBFNOGJTLD-UHFFFAOYSA-N 1 1 315.388 3.900 20 30 DHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)CCCOc2cccc(C#N)c2)C1 ZINC000477278345 1015172603 /nfs/dbraw/zinc/17/26/03/1015172603.db2.gz GMOPZDOWTSISTA-WMZOPIPTSA-N 1 1 318.486 3.933 20 30 DHEDMO C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(OC(C)C)c2)CC1 ZINC000106245373 1015180663 /nfs/dbraw/zinc/18/06/63/1015180663.db2.gz LEQSQGKUDUXAOH-UHFFFAOYSA-N 1 1 302.462 3.604 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2cccc(OC(C)C)c2)CC1 ZINC000106245373 1015180671 /nfs/dbraw/zinc/18/06/71/1015180671.db2.gz LEQSQGKUDUXAOH-UHFFFAOYSA-N 1 1 302.462 3.604 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OCCOC)o1)Cc1cccs1 ZINC000891507816 1015340796 /nfs/dbraw/zinc/34/07/96/1015340796.db2.gz ALWYEMDURRDQTB-UHFFFAOYSA-N 1 1 307.415 3.555 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OCCOC)o1)Cc1cccs1 ZINC000891507816 1015340808 /nfs/dbraw/zinc/34/08/08/1015340808.db2.gz ALWYEMDURRDQTB-UHFFFAOYSA-N 1 1 307.415 3.555 20 30 DHEDMO CC(C)c1[nH+]ccn1CCNc1ncc(C#N)c2ccsc21 ZINC000895988637 1015395811 /nfs/dbraw/zinc/39/58/11/1015395811.db2.gz DSKRPLMMHYQMQR-UHFFFAOYSA-N 1 1 311.414 3.600 20 30 DHEDMO CC[N@H+](Cc1csc(C#N)c1)Cc1ccc(OC)cc1OC ZINC000891653233 1015490370 /nfs/dbraw/zinc/49/03/70/1015490370.db2.gz SBEPLIUAMTYUBL-UHFFFAOYSA-N 1 1 316.426 3.659 20 30 DHEDMO CC[N@@H+](Cc1csc(C#N)c1)Cc1ccc(OC)cc1OC ZINC000891653233 1015490377 /nfs/dbraw/zinc/49/03/77/1015490377.db2.gz SBEPLIUAMTYUBL-UHFFFAOYSA-N 1 1 316.426 3.659 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2[nH]c(=O)oc21 ZINC000891652834 1015490686 /nfs/dbraw/zinc/49/06/86/1015490686.db2.gz OBCMUXGPCJSSMG-UHFFFAOYSA-N 1 1 321.380 3.817 20 30 DHEDMO COCC[N@@H+](Cc1csc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000891677661 1015514654 /nfs/dbraw/zinc/51/46/54/1015514654.db2.gz KUPPLKGQJPXBNV-AWEZNQCLSA-N 1 1 300.427 3.829 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000187594094 1015545050 /nfs/dbraw/zinc/54/50/50/1015545050.db2.gz WSDKIDMHUILBSF-GFCCVEGCSA-N 1 1 304.365 3.887 20 30 DHEDMO CC1([NH+]2CCCC2)CCC(NCc2cccc(F)c2C#N)CC1 ZINC000896391669 1015569560 /nfs/dbraw/zinc/56/95/60/1015569560.db2.gz MRULMHGZGCEZGA-UHFFFAOYSA-N 1 1 315.436 3.584 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])c(C#N)c2)c1 ZINC000165930686 1015602087 /nfs/dbraw/zinc/60/20/87/1015602087.db2.gz ZGRRPQAYOCABKS-UHFFFAOYSA-N 1 1 324.384 3.530 20 30 DHEDMO COc1cccc(C=C2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)c1 ZINC000276779663 1015636666 /nfs/dbraw/zinc/63/66/66/1015636666.db2.gz QIDVSQMFHCFCTE-UHFFFAOYSA-N 1 1 321.424 3.585 20 30 DHEDMO CC(C)[N@H+](Cc1cc(Br)ccc1C#N)CC1CC1 ZINC001141902862 1015670667 /nfs/dbraw/zinc/67/06/67/1015670667.db2.gz GZMJUJJTKMZJNZ-UHFFFAOYSA-N 1 1 307.235 3.941 20 30 DHEDMO Cc1cc(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2(C)C)cn2cc[nH+]c12 ZINC000329367069 1015691875 /nfs/dbraw/zinc/69/18/75/1015691875.db2.gz HFBWOWGLXXIRQP-OCCSQVGLSA-N 1 1 313.401 3.872 20 30 DHEDMO C=CCc1cc(C[N@H+](C)[C@@H](CC)CSC)c(O)c(OC)c1 ZINC000091024772 1015704609 /nfs/dbraw/zinc/70/46/09/1015704609.db2.gz MKDQFQLVWMRGET-HNNXBMFYSA-N 1 1 309.475 3.703 20 30 DHEDMO CC(C)c1[nH+]ccn1CCC(=O)Nc1cnc2c(c1)CCCC2 ZINC000329466569 1015710041 /nfs/dbraw/zinc/71/00/41/1015710041.db2.gz SBUNWQYSTNLXGL-UHFFFAOYSA-N 1 1 312.417 3.959 20 30 DHEDMO CSc1nc(C[NH+]2CCC3(CC(F)(F)C3)CC2)ccc1C#N ZINC001141932312 1015778075 /nfs/dbraw/zinc/77/80/75/1015778075.db2.gz XJWXQAMGWWMZTQ-UHFFFAOYSA-N 1 1 323.412 3.686 20 30 DHEDMO CCn1ccnc1C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000091068190 1015779413 /nfs/dbraw/zinc/77/94/13/1015779413.db2.gz CIZHJEWXHMDTQM-UHFFFAOYSA-N 1 1 316.408 3.731 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCCc3sccc3C2)c1 ZINC000610786271 1015785455 /nfs/dbraw/zinc/78/54/55/1015785455.db2.gz LXAGLDOHBNMGMP-UHFFFAOYSA-N 1 1 312.438 3.837 20 30 DHEDMO CSc1nc(C[N@@H+](C)CCc2ccc(C)cc2)ccc1C#N ZINC001141941786 1015788004 /nfs/dbraw/zinc/78/80/04/1015788004.db2.gz XUGFUBMOODNNAA-UHFFFAOYSA-N 1 1 311.454 3.658 20 30 DHEDMO C=C1CC(c2noc(C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)n2)C1 ZINC000896875780 1015793380 /nfs/dbraw/zinc/79/33/80/1015793380.db2.gz OETRXYAJVIGBKI-OAHLLOKOSA-N 1 1 306.369 3.601 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)C1CCCCC1 ZINC000475045289 1015798414 /nfs/dbraw/zinc/79/84/14/1015798414.db2.gz CWWMBPPSFUDSHV-GOSISDBHSA-N 1 1 318.417 3.524 20 30 DHEDMO C=CCC[C@@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458226607 1015830176 /nfs/dbraw/zinc/83/01/76/1015830176.db2.gz SVFGJLGGSSRCGC-PKOBYXMFSA-N 1 1 314.473 3.585 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)o2)cc1 ZINC000247705113 1015958182 /nfs/dbraw/zinc/95/81/82/1015958182.db2.gz YSDHMOOFQIOGON-DOTOQJQBSA-N 1 1 322.412 3.763 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000610967407 1015968812 /nfs/dbraw/zinc/96/88/12/1015968812.db2.gz LYLDGAXLOLBPFD-SFHVURJKSA-N 1 1 308.381 3.610 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)ccn1 ZINC000610991604 1015991166 /nfs/dbraw/zinc/99/11/66/1015991166.db2.gz OFEBFKRCKOPUGX-QGZVFWFLSA-N 1 1 311.816 3.814 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)ccn1 ZINC000610991602 1015990308 /nfs/dbraw/zinc/99/03/08/1015990308.db2.gz OFEBFKRCKOPUGX-KRWDZBQOSA-N 1 1 311.816 3.814 20 30 DHEDMO CCC[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1CCc2ccccc2C1 ZINC000610992004 1015992547 /nfs/dbraw/zinc/99/25/47/1015992547.db2.gz YVRADNLYWFNLIE-HXUWFJFHSA-N 1 1 305.425 3.723 20 30 DHEDMO CC[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000610993716 1015998086 /nfs/dbraw/zinc/99/80/86/1015998086.db2.gz DFNWSNRTWHVWBY-XLIONFOSSA-N 1 1 305.425 3.969 20 30 DHEDMO COc1ccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)cc1C#N ZINC000610992645 1016001608 /nfs/dbraw/zinc/00/16/08/1016001608.db2.gz WYCQYQSMQYKYQA-FQEVSTJZSA-N 1 1 322.408 3.530 20 30 DHEDMO COc1cccc(C=C2CC[NH+](Cc3ccnc(C#N)c3)CC2)c1 ZINC000610994614 1016006314 /nfs/dbraw/zinc/00/63/14/1016006314.db2.gz XOWKWOXIPBTPJN-UHFFFAOYSA-N 1 1 319.408 3.641 20 30 DHEDMO C[N@@H+](CCN(CCCC#N)Cc1ccccc1)Cc1ccccc1 ZINC000342356466 1016307257 /nfs/dbraw/zinc/30/72/57/1016307257.db2.gz QOKRRPMNOOSWLD-UHFFFAOYSA-N 1 1 321.468 3.924 20 30 DHEDMO CN(CC[N@H+](CCCC#N)Cc1ccccc1)Cc1ccccc1 ZINC000342356466 1016307260 /nfs/dbraw/zinc/30/72/60/1016307260.db2.gz QOKRRPMNOOSWLD-UHFFFAOYSA-N 1 1 321.468 3.924 20 30 DHEDMO CN(CC[N@@H+](CCCC#N)Cc1ccccc1)Cc1ccccc1 ZINC000342356466 1016307267 /nfs/dbraw/zinc/30/72/67/1016307267.db2.gz QOKRRPMNOOSWLD-UHFFFAOYSA-N 1 1 321.468 3.924 20 30 DHEDMO CC[C@@H]([NH2+]Cc1cc(C)cc(Cl)n1)c1cccc(C#N)c1O ZINC000926362737 1016308214 /nfs/dbraw/zinc/30/82/14/1016308214.db2.gz UXEIAOBWLYCQTR-OAHLLOKOSA-N 1 1 315.804 3.862 20 30 DHEDMO CCC1(CC)CCC[N@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000346504788 1016411127 /nfs/dbraw/zinc/41/11/27/1016411127.db2.gz OMYPPRFWCWONQR-UHFFFAOYSA-N 1 1 319.474 3.851 20 30 DHEDMO CCC1(CC)CCC[N@@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000346504788 1016411133 /nfs/dbraw/zinc/41/11/33/1016411133.db2.gz OMYPPRFWCWONQR-UHFFFAOYSA-N 1 1 319.474 3.851 20 30 DHEDMO N#CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000346744227 1016532122 /nfs/dbraw/zinc/53/21/22/1016532122.db2.gz ZSAZGZJWYYGJFF-UHFFFAOYSA-N 1 1 316.408 3.602 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C1CCCCC1 ZINC000475050248 1016563365 /nfs/dbraw/zinc/56/33/65/1016563365.db2.gz UVXQFGPDRCJAOB-LJQANCHMSA-N 1 1 300.446 3.710 20 30 DHEDMO CCc1ccc([C@H]2CCC[N@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000582332678 1016595405 /nfs/dbraw/zinc/59/54/05/1016595405.db2.gz YCCVDWAGKAOLGQ-INIZCTEOSA-N 1 1 311.454 3.957 20 30 DHEDMO CCc1ccc([C@H]2CCC[N@@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000582332678 1016595416 /nfs/dbraw/zinc/59/54/16/1016595416.db2.gz YCCVDWAGKAOLGQ-INIZCTEOSA-N 1 1 311.454 3.957 20 30 DHEDMO C=C[C@](C)(CCOC)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281576968 1016603763 /nfs/dbraw/zinc/60/37/63/1016603763.db2.gz LUWNPFYAMBYAPT-QGZVFWFLSA-N 1 1 324.852 3.569 20 30 DHEDMO C[C@@H]([NH2+]Cc1nc2ccc(Cl)cc2n1C)c1ccc(C#N)cc1 ZINC000478251905 1016657566 /nfs/dbraw/zinc/65/75/66/1016657566.db2.gz PCANAGIDJNLJJI-GFCCVEGCSA-N 1 1 324.815 3.949 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000582416185 1016726527 /nfs/dbraw/zinc/72/65/27/1016726527.db2.gz ZMJQGYQZVBXGDV-PXNSSMCTSA-N 1 1 319.408 3.840 20 30 DHEDMO C=CC[C@H]1CC[N@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000934461818 1016739365 /nfs/dbraw/zinc/73/93/65/1016739365.db2.gz ATYWWCKOORTXSL-NSHDSACASA-N 1 1 307.191 3.741 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000934461818 1016739372 /nfs/dbraw/zinc/73/93/72/1016739372.db2.gz ATYWWCKOORTXSL-NSHDSACASA-N 1 1 307.191 3.741 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000934459187 1016732050 /nfs/dbraw/zinc/73/20/50/1016732050.db2.gz DDEKNAKZEACBBD-KRWDZBQOSA-N 1 1 300.446 3.981 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000934459189 1016732745 /nfs/dbraw/zinc/73/27/45/1016732745.db2.gz DDEKNAKZEACBBD-QGZVFWFLSA-N 1 1 300.446 3.981 20 30 DHEDMO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000934460664 1016735245 /nfs/dbraw/zinc/73/52/45/1016735245.db2.gz NJQSQZPOILTCIP-JQWIXIFHSA-N 1 1 302.447 3.602 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000934460664 1016735257 /nfs/dbraw/zinc/73/52/57/1016735257.db2.gz NJQSQZPOILTCIP-JQWIXIFHSA-N 1 1 302.447 3.602 20 30 DHEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CCCC12CCC2 ZINC000347123331 1016749277 /nfs/dbraw/zinc/74/92/77/1016749277.db2.gz NORIGUKLDXZFKI-UHFFFAOYSA-N 1 1 305.219 3.839 20 30 DHEDMO N#Cc1cc(Br)ccc1C[N@H+]1CCCC12CCC2 ZINC000347123331 1016749291 /nfs/dbraw/zinc/74/92/91/1016749291.db2.gz NORIGUKLDXZFKI-UHFFFAOYSA-N 1 1 305.219 3.839 20 30 DHEDMO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000934470371 1016761589 /nfs/dbraw/zinc/76/15/89/1016761589.db2.gz CKRMUBDAEHUITL-RYUDHWBXSA-N 1 1 312.335 3.683 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000934470371 1016761597 /nfs/dbraw/zinc/76/15/97/1016761597.db2.gz CKRMUBDAEHUITL-RYUDHWBXSA-N 1 1 312.335 3.683 20 30 DHEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185283260 1016815799 /nfs/dbraw/zinc/81/57/99/1016815799.db2.gz UVUINXBYECCQSR-MRXNPFEDSA-N 1 1 313.426 3.573 20 30 DHEDMO COc1ccc(C#N)cc1C[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185350495 1016868196 /nfs/dbraw/zinc/86/81/96/1016868196.db2.gz QTZPWABTHKYGPU-INIZCTEOSA-N 1 1 313.426 3.573 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2nccn21 ZINC000342651409 1016931826 /nfs/dbraw/zinc/93/18/26/1016931826.db2.gz BWMBDFZFAHTLND-UHFFFAOYSA-N 1 1 318.424 3.864 20 30 DHEDMO CCCC[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000023991662 1017047892 /nfs/dbraw/zinc/04/78/92/1017047892.db2.gz QEXVYTHHUDHGMC-UHFFFAOYSA-N 1 1 319.474 3.559 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000847024952 1032181377 /nfs/dbraw/zinc/18/13/77/1032181377.db2.gz UPRMNASCOCAYQF-UONOGXRCSA-N 1 1 313.376 3.590 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000847024952 1032181381 /nfs/dbraw/zinc/18/13/81/1032181381.db2.gz UPRMNASCOCAYQF-UONOGXRCSA-N 1 1 313.376 3.590 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000847024428 1032182566 /nfs/dbraw/zinc/18/25/66/1032182566.db2.gz QSBIBRTXSLIYQK-ZDUSSCGKSA-N 1 1 300.402 3.794 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000847024428 1032182572 /nfs/dbraw/zinc/18/25/72/1032182572.db2.gz QSBIBRTXSLIYQK-ZDUSSCGKSA-N 1 1 300.402 3.794 20 30 DHEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000847033667 1032183911 /nfs/dbraw/zinc/18/39/11/1032183911.db2.gz ZAXAMAWSDYZQAJ-OLZOCXBDSA-N 1 1 303.356 3.838 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000847033667 1032183919 /nfs/dbraw/zinc/18/39/19/1032183919.db2.gz ZAXAMAWSDYZQAJ-OLZOCXBDSA-N 1 1 303.356 3.838 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H](COC)c2ccc(C)o2)cc1 ZINC000080237466 1032194908 /nfs/dbraw/zinc/19/49/08/1032194908.db2.gz FTYUKDXQMGHTFP-QGZVFWFLSA-N 1 1 301.386 3.630 20 30 DHEDMO COCC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CC[C@H](C)C1 ZINC000362169393 1032256942 /nfs/dbraw/zinc/25/69/42/1032256942.db2.gz GXRWLBNYSXTJLQ-GUYCJALGSA-N 1 1 306.837 3.849 20 30 DHEDMO COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CCC[C@@H](CC#N)C1)CC2 ZINC001171322016 1032366777 /nfs/dbraw/zinc/36/67/77/1032366777.db2.gz QSJUCSRJIQUUKN-KBPBESRZSA-N 1 1 318.848 3.832 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@H](c2ccccc2)O1 ZINC000342720373 1017085117 /nfs/dbraw/zinc/08/51/17/1017085117.db2.gz GLOJMRDKWZIQIC-OXJNMPFZSA-N 1 1 306.409 3.715 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@H](c2ccccc2)O1 ZINC000342720375 1017086132 /nfs/dbraw/zinc/08/61/32/1017086132.db2.gz GLOJMRDKWZIQIC-OXQOHEQNSA-N 1 1 306.409 3.715 20 30 DHEDMO CC[N@@H+](Cc1cccc(OCc2ccccn2)c1)C[C@H](C)C#N ZINC000091984207 1032467740 /nfs/dbraw/zinc/46/77/40/1032467740.db2.gz SMLXQERZIFMMAD-MRXNPFEDSA-N 1 1 309.413 3.642 20 30 DHEDMO CC[N@H+](Cc1cccc(OCc2ccccn2)c1)C[C@H](C)C#N ZINC000091984207 1032467746 /nfs/dbraw/zinc/46/77/46/1032467746.db2.gz SMLXQERZIFMMAD-MRXNPFEDSA-N 1 1 309.413 3.642 20 30 DHEDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000091964276 1032465892 /nfs/dbraw/zinc/46/58/92/1032465892.db2.gz XWBWCJZJZXWPDD-LJQANCHMSA-N 1 1 316.445 3.616 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000348136659 1032474190 /nfs/dbraw/zinc/47/41/90/1032474190.db2.gz XWJQFEGBFCYIPD-UHFFFAOYSA-N 1 1 309.335 3.899 20 30 DHEDMO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC1CCCC1 ZINC000064020897 1032474649 /nfs/dbraw/zinc/47/46/49/1032474649.db2.gz TUGZAWRHOCCDNL-UHFFFAOYSA-N 1 1 323.440 3.860 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N[C@H](C)c1ccccc1 ZINC000060168340 1032493748 /nfs/dbraw/zinc/49/37/48/1032493748.db2.gz LQIWGNMYMXRJMB-GOSISDBHSA-N 1 1 322.452 3.595 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N[C@H](C)c1ccccc1 ZINC000060168340 1032493752 /nfs/dbraw/zinc/49/37/52/1032493752.db2.gz LQIWGNMYMXRJMB-GOSISDBHSA-N 1 1 322.452 3.595 20 30 DHEDMO C=CC[N@H+](Cc1ccc(NC(C)=O)cc1)Cc1cccc(C#N)c1 ZINC000092504376 1032499160 /nfs/dbraw/zinc/49/91/60/1032499160.db2.gz NMNFGPUODPGWGX-UHFFFAOYSA-N 1 1 319.408 3.705 20 30 DHEDMO N#Cc1ccc(F)c(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1 ZINC000593053862 1032515087 /nfs/dbraw/zinc/51/50/87/1032515087.db2.gz BFAONXAAUDXQGR-UHFFFAOYSA-N 1 1 316.273 3.564 20 30 DHEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000424199837 1011942796 /nfs/dbraw/zinc/94/27/96/1011942796.db2.gz KVXSVFRIKXXUIQ-DTWKUNHWSA-N 1 1 315.161 3.509 20 30 DHEDMO CC1(C)C[N@H+](CC#Cc2cccc(Cl)c2)[C@@H]1[C@H]1CCCO1 ZINC000579766863 1012062393 /nfs/dbraw/zinc/06/23/93/1012062393.db2.gz HNABTXLQCCMBCS-IAGOWNOFSA-N 1 1 303.833 3.581 20 30 DHEDMO CC1(C)C[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]1[C@H]1CCCO1 ZINC000579766863 1012062405 /nfs/dbraw/zinc/06/24/05/1012062405.db2.gz HNABTXLQCCMBCS-IAGOWNOFSA-N 1 1 303.833 3.581 20 30 DHEDMO C[C@@]12CC[N@H+](Cc3csc(C#N)c3)C[C@@H]1C2(Cl)Cl ZINC000894296124 1012228777 /nfs/dbraw/zinc/22/87/77/1012228777.db2.gz USJKUNSKXPUXGG-NWDGAFQWSA-N 1 1 301.242 3.635 20 30 DHEDMO C[C@@]12CC[N@@H+](Cc3csc(C#N)c3)C[C@@H]1C2(Cl)Cl ZINC000894296124 1012228796 /nfs/dbraw/zinc/22/87/96/1012228796.db2.gz USJKUNSKXPUXGG-NWDGAFQWSA-N 1 1 301.242 3.635 20 30 DHEDMO C=CC[C@H]1CCN1C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000890560681 1012248098 /nfs/dbraw/zinc/24/80/98/1012248098.db2.gz KPXLUTNEHJMKEB-SFHVURJKSA-N 1 1 300.446 3.708 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000514214639 1012293395 /nfs/dbraw/zinc/29/33/95/1012293395.db2.gz NEAAUDWLZBHVRN-LEWJYISDSA-N 1 1 318.420 3.979 20 30 DHEDMO N#Cc1c(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)cn2ccccc12 ZINC000610215042 1012416541 /nfs/dbraw/zinc/41/65/41/1012416541.db2.gz ZFPREUVOJCFBLW-SFHVURJKSA-N 1 1 315.420 3.876 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000157597229 1012494041 /nfs/dbraw/zinc/49/40/41/1012494041.db2.gz HCBLNRFCRPLODE-GOSISDBHSA-N 1 1 322.383 3.792 20 30 DHEDMO N#Cc1csc(C[NH2+]Cc2ccsc2Br)c1 ZINC000336645239 1012526281 /nfs/dbraw/zinc/52/62/81/1012526281.db2.gz ANUUPLCZGYSNLU-UHFFFAOYSA-N 1 1 313.245 3.734 20 30 DHEDMO Cc1cc(C#N)cc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000336708361 1012536305 /nfs/dbraw/zinc/53/63/05/1012536305.db2.gz MGEBELRUMLNZHJ-LPHOPBHVSA-N 1 1 320.440 3.584 20 30 DHEDMO N#Cc1cccc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000336725517 1012541876 /nfs/dbraw/zinc/54/18/76/1012541876.db2.gz VEJKFNDMUYYLSN-SFHVURJKSA-N 1 1 320.440 3.667 20 30 DHEDMO N#CC1(C[NH+]2CCC(c3nc4c(s3)CCCC4)CC2)CC1 ZINC000425515598 1012716993 /nfs/dbraw/zinc/71/69/93/1012716993.db2.gz RHIGQUKKTSKUEO-UHFFFAOYSA-N 1 1 301.459 3.505 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000579863850 1012721594 /nfs/dbraw/zinc/72/15/94/1012721594.db2.gz AYRXDUIKBKJHCK-AWEZNQCLSA-N 1 1 306.372 3.748 20 30 DHEDMO CCCCCCCC(=O)N1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001270133876 1012776267 /nfs/dbraw/zinc/77/62/67/1012776267.db2.gz BMPMVHTYBMKPEJ-FUHWJXTLSA-N 1 1 306.494 3.822 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000188285431 1012914970 /nfs/dbraw/zinc/91/49/70/1012914970.db2.gz IBAVIBNDMYPDRG-KXBFYZLASA-N 1 1 316.445 3.621 20 30 DHEDMO N#Cc1ccc(CS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000517245783 1012943365 /nfs/dbraw/zinc/94/33/65/1012943365.db2.gz BQNIVWCEJRTSBL-IBGZPJMESA-N 1 1 323.465 3.851 20 30 DHEDMO N#CCCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000154770121 1012987488 /nfs/dbraw/zinc/98/74/88/1012987488.db2.gz PKAKGGNSQUIFKE-QGZVFWFLSA-N 1 1 300.427 3.587 20 30 DHEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(-c2ccncc2)nc1C ZINC000657529889 1017195579 /nfs/dbraw/zinc/19/55/79/1017195579.db2.gz KKMORPJDOQLGEE-VQIMIIECSA-N 1 1 310.445 3.800 20 30 DHEDMO N#Cc1cccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c1F ZINC000593054452 1032698348 /nfs/dbraw/zinc/69/83/48/1032698348.db2.gz IDORBVLBNKOAAI-UHFFFAOYSA-N 1 1 316.273 3.564 20 30 DHEDMO CCC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000077212119 1017439488 /nfs/dbraw/zinc/43/94/88/1017439488.db2.gz IILYZMUTTDUSDB-UHFFFAOYSA-N 1 1 323.440 3.860 20 30 DHEDMO COc1cc(C[N@H+]2CCC=C(c3ccccc3)C2)ccc1C#N ZINC000342835451 1017532614 /nfs/dbraw/zinc/53/26/14/1017532614.db2.gz GJHQGATWSNUNHA-UHFFFAOYSA-N 1 1 304.393 3.856 20 30 DHEDMO C=CCN(CC=C)[C@@H](C[NH2+][C@@H]1CCCc2scnc21)C(C)C ZINC000623861384 1017539267 /nfs/dbraw/zinc/53/92/67/1017539267.db2.gz WPSUVWDFBIBCIB-CVEARBPZSA-N 1 1 319.518 3.809 20 30 DHEDMO CCc1ccccc1NC(=O)C[N@@H+](C)CCCCC(C)(C)C#N ZINC000444591596 1017582441 /nfs/dbraw/zinc/58/24/41/1017582441.db2.gz DFCVSCHTXBYWOO-UHFFFAOYSA-N 1 1 315.461 3.839 20 30 DHEDMO CCc1ccccc1CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000444650030 1017605039 /nfs/dbraw/zinc/60/50/39/1017605039.db2.gz BQWVHFTZQWWEEL-OAQYLSRUSA-N 1 1 320.436 3.737 20 30 DHEDMO CCc1ccccc1CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000444650030 1017605045 /nfs/dbraw/zinc/60/50/45/1017605045.db2.gz BQWVHFTZQWWEEL-OAQYLSRUSA-N 1 1 320.436 3.737 20 30 DHEDMO C=CC[C@H]1N(C(=O)CCn2cc[nH+]c2C(C)C)CCCC1(C)C ZINC000444640439 1017613801 /nfs/dbraw/zinc/61/38/01/1017613801.db2.gz RVJPHXMBWXPFID-MRXNPFEDSA-N 1 1 317.477 3.990 20 30 DHEDMO CC(C)(C)C(=O)N1CC[N@@H+](CCCCC(C)(C)C#N)C(C)(C)C1 ZINC000444673759 1017621634 /nfs/dbraw/zinc/62/16/34/1017621634.db2.gz IUDFOTYRYOROSK-UHFFFAOYSA-N 1 1 321.509 3.675 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c(Cl)c1 ZINC000444695001 1017635741 /nfs/dbraw/zinc/63/57/41/1017635741.db2.gz RCPPIWWHJQPVOK-NSHDSACASA-N 1 1 302.727 3.986 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000444704788 1017641533 /nfs/dbraw/zinc/64/15/33/1017641533.db2.gz MGCVGUZMMHAMES-FQEVSTJZSA-N 1 1 314.473 3.776 20 30 DHEDMO C=CC[C@H]1[N@H+](CC[S@@](=O)c2ccccc2)CCCC1(C)C ZINC000444779767 1017660940 /nfs/dbraw/zinc/66/09/40/1017660940.db2.gz LNRNGZGPVOFEOQ-DYESRHJHSA-N 1 1 305.487 3.861 20 30 DHEDMO N#Cc1ccc(Br)c(C[N@H+]2CCCC23CCC3)c1 ZINC000444779596 1017662310 /nfs/dbraw/zinc/66/23/10/1017662310.db2.gz CLLVDRLDJIGWHL-UHFFFAOYSA-N 1 1 305.219 3.839 20 30 DHEDMO N#Cc1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C(F)(F)F ZINC000091479524 1017754307 /nfs/dbraw/zinc/75/43/07/1017754307.db2.gz OHRDCLJVYHDEES-GFCCVEGCSA-N 1 1 320.318 3.684 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000625700587 1017776388 /nfs/dbraw/zinc/77/63/88/1017776388.db2.gz CKFLFZPDFUKVKH-SNVBAGLBSA-N 1 1 315.642 3.896 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000625700587 1017776403 /nfs/dbraw/zinc/77/64/03/1017776403.db2.gz CKFLFZPDFUKVKH-SNVBAGLBSA-N 1 1 315.642 3.896 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000625702278 1017778648 /nfs/dbraw/zinc/77/86/48/1017778648.db2.gz GFYGIBYZWMPDSX-LBPRGKRZSA-N 1 1 310.800 3.706 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000625701917 1017779819 /nfs/dbraw/zinc/77/98/19/1017779819.db2.gz ULLKBGLZHNGBPM-LLVKDONJSA-N 1 1 313.228 3.830 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000625701917 1017779839 /nfs/dbraw/zinc/77/98/39/1017779839.db2.gz ULLKBGLZHNGBPM-LLVKDONJSA-N 1 1 313.228 3.830 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171486625 1032729262 /nfs/dbraw/zinc/72/92/62/1032729262.db2.gz FUNPCWYJYQGDJC-QGZVFWFLSA-N 1 1 312.363 3.826 20 30 DHEDMO N#Cc1ccc(CNC[C@@H](c2ccccc2)[NH+]2CCCC2)c(F)c1 ZINC000342946829 1017873662 /nfs/dbraw/zinc/87/36/62/1017873662.db2.gz NBYWBECJNKNXPE-FQEVSTJZSA-N 1 1 323.415 3.624 20 30 DHEDMO C=CC1(CC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CCCCC1 ZINC001128652257 1017882316 /nfs/dbraw/zinc/88/23/16/1017882316.db2.gz KDCHYPGKKDUCKG-INIZCTEOSA-N 1 1 306.494 3.750 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171492992 1032730851 /nfs/dbraw/zinc/73/08/51/1032730851.db2.gz KLJJBDLNNNMMQX-KSYCFECVSA-N 1 1 302.368 3.589 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000245569203 1018222790 /nfs/dbraw/zinc/22/27/90/1018222790.db2.gz VYYSWSGXBVWYDQ-HOTGVXAUSA-N 1 1 317.502 3.706 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@@H]2C2CC2)c1O ZINC000728560126 1018283226 /nfs/dbraw/zinc/28/32/26/1018283226.db2.gz MWQKDLLDLCBWPO-GOSISDBHSA-N 1 1 301.430 3.894 20 30 DHEDMO N#C[C@H]1CCC[N@H+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171543013 1032754518 /nfs/dbraw/zinc/75/45/18/1032754518.db2.gz CWDBPOMIFRYORD-AAEUAGOBSA-N 1 1 308.347 3.587 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)NCC(C)(C)[NH+](C)C)cc1 ZINC000764534338 1018307789 /nfs/dbraw/zinc/30/77/89/1018307789.db2.gz ZEPKCSORQZEFTQ-CQSZACIVSA-N 1 1 310.869 3.809 20 30 DHEDMO C=C(C)COc1cc(CNc2[nH]c3ccccc3[nH+]2)ccc1OC ZINC000446969934 1018310568 /nfs/dbraw/zinc/31/05/68/1018310568.db2.gz SLEGMXXLMXWRHC-UHFFFAOYSA-N 1 1 323.396 3.560 20 30 DHEDMO Cn1c2ccccc2nc1[C@@H]([NH2+]CCCC#N)c1ccccc1 ZINC000126048446 1018350124 /nfs/dbraw/zinc/35/01/24/1018350124.db2.gz DZBKGZFEKCTEND-SFHVURJKSA-N 1 1 304.397 3.556 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000246030119 1018391667 /nfs/dbraw/zinc/39/16/67/1018391667.db2.gz VXCMEANFAWGFQY-VQIMIIECSA-N 1 1 320.440 3.723 20 30 DHEDMO CC(=[NH+]OCC(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000764847286 1018393402 /nfs/dbraw/zinc/39/34/02/1018393402.db2.gz XMDRSOHGQOZQRC-UHFFFAOYSA-N 1 1 300.324 3.980 20 30 DHEDMO CC[C@H]([NH2+]Cc1nc2ccc(C)cc2[nH]1)c1ccc(C#N)cc1 ZINC000447563541 1018427499 /nfs/dbraw/zinc/42/74/99/1018427499.db2.gz QMSYCXABGDQSBV-INIZCTEOSA-N 1 1 304.397 3.984 20 30 DHEDMO Cc1nc(C[NH2+]Cc2cccc(OCCCC#N)c2)sc1C ZINC000174433830 1018429800 /nfs/dbraw/zinc/42/98/00/1018429800.db2.gz NHNYJUMTFHMSIY-UHFFFAOYSA-N 1 1 315.442 3.732 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000675502492 1018514507 /nfs/dbraw/zinc/51/45/07/1018514507.db2.gz RPYDDUVTKHGZGR-XJKSGUPXSA-N 1 1 324.262 3.913 20 30 DHEDMO C=C[C@H](CC(=O)N[C@@H](C)C[N@H+](CC)CCC)c1ccccc1 ZINC000583538170 1018543915 /nfs/dbraw/zinc/54/39/15/1018543915.db2.gz AYSZSEAZMMQLKV-DLBZAZTESA-N 1 1 302.462 3.583 20 30 DHEDMO CCCC1CCC([N@@H+](CC(=O)NC2(C#N)CCC2)C(C)C)CC1 ZINC000527377178 1018566201 /nfs/dbraw/zinc/56/62/01/1018566201.db2.gz DCVOYXSDRUYFQV-UHFFFAOYSA-N 1 1 319.493 3.618 20 30 DHEDMO C=C[C@H](CC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000245625446 1018571216 /nfs/dbraw/zinc/57/12/16/1018571216.db2.gz GJKRMKRGIZPQBN-FGTMMUONSA-N 1 1 314.473 3.583 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000157674443 1018664285 /nfs/dbraw/zinc/66/42/85/1018664285.db2.gz PRTVWYCTWXXJCG-INIZCTEOSA-N 1 1 308.429 3.696 20 30 DHEDMO C=CC[N@H+](Cc1ccc(-c2ncco2)cc1F)[C@H](C)COC ZINC000661238998 1018673515 /nfs/dbraw/zinc/67/35/15/1018673515.db2.gz BKLNNDYSSSEHDF-CYBMUJFWSA-N 1 1 304.365 3.504 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(-c2ncco2)cc1F)[C@H](C)COC ZINC000661238998 1018673518 /nfs/dbraw/zinc/67/35/18/1018673518.db2.gz BKLNNDYSSSEHDF-CYBMUJFWSA-N 1 1 304.365 3.504 20 30 DHEDMO C=C[C@H](CC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000536129137 1018682012 /nfs/dbraw/zinc/68/20/12/1018682012.db2.gz PJGFJVXKBKJRHA-QGZVFWFLSA-N 1 1 314.473 3.679 20 30 DHEDMO COc1cc(F)c([C@@H](C)[NH2+]Cc2csc(C#N)c2)cc1OC ZINC000921740684 1018724213 /nfs/dbraw/zinc/72/42/13/1018724213.db2.gz ABQQNFZJKRWFEU-SNVBAGLBSA-N 1 1 320.389 3.627 20 30 DHEDMO COc1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@H](CC#N)C3)CCO2)cc1 ZINC001168664050 1018779025 /nfs/dbraw/zinc/77/90/25/1018779025.db2.gz YVTSFNWGCGYNEI-SUMDDJOVSA-N 1 1 314.429 3.541 20 30 DHEDMO COc1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@@H](CC#N)C3)CCO2)cc1 ZINC001168664048 1018779670 /nfs/dbraw/zinc/77/96/70/1018779670.db2.gz YVTSFNWGCGYNEI-IEZWGBDMSA-N 1 1 314.429 3.541 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000158385682 1018798415 /nfs/dbraw/zinc/79/84/15/1018798415.db2.gz PPHAFASDESKTMO-MRXNPFEDSA-N 1 1 304.482 3.764 20 30 DHEDMO C=CC[N@@H+](Cc1c(C)nc2ccccn21)Cc1cccc(C#N)c1 ZINC000158772507 1018909698 /nfs/dbraw/zinc/90/96/98/1018909698.db2.gz AKSYYVLXGAXRIY-UHFFFAOYSA-N 1 1 316.408 3.703 20 30 DHEDMO C=CC[N@H+](Cc1c(C)nc2ccccn21)Cc1cccc(C#N)c1 ZINC000158772507 1018909720 /nfs/dbraw/zinc/90/97/20/1018909720.db2.gz AKSYYVLXGAXRIY-UHFFFAOYSA-N 1 1 316.408 3.703 20 30 DHEDMO C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000584083177 1018929176 /nfs/dbraw/zinc/92/91/76/1018929176.db2.gz FWUZRVQYJZFTGT-JXXFODFXSA-N 1 1 311.473 3.503 20 30 DHEDMO CCCCCCCCCOC(=O)N1CCC(F)(F)[C@@H]([NH3+])C1 ZINC001239328471 1018973368 /nfs/dbraw/zinc/97/33/68/1018973368.db2.gz GZWWRCAXEVVVNR-ZDUSSCGKSA-N 1 1 306.397 3.542 20 30 DHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000307781303 1018977584 /nfs/dbraw/zinc/97/75/84/1018977584.db2.gz UTFQOZWBEXYTKM-CABCVRRESA-N 1 1 313.445 3.643 20 30 DHEDMO C=C(C)[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)c(F)c1 ZINC000248549314 1019025971 /nfs/dbraw/zinc/02/59/71/1019025971.db2.gz HGVLGIQAORIBCC-MPGHIAIKSA-N 1 1 306.400 3.798 20 30 DHEDMO Cn1cccc1[C@H]1CCCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000477300955 1032803407 /nfs/dbraw/zinc/80/34/07/1032803407.db2.gz IDZSRMVCSOYULM-HXUWFJFHSA-N 1 1 323.440 3.893 20 30 DHEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cnc(-c3ccco3)s2)c1 ZINC000785481897 1019061961 /nfs/dbraw/zinc/06/19/61/1019061961.db2.gz BUXSJDLUOIXOMO-UHFFFAOYSA-N 1 1 313.357 3.704 20 30 DHEDMO CC[C@]1(C)CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075997983 1019075517 /nfs/dbraw/zinc/07/55/17/1019075517.db2.gz QNGXRCNKAABCBR-GOSISDBHSA-N 1 1 310.401 3.620 20 30 DHEDMO CN(Cc1cccc(C#N)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109780 1019087126 /nfs/dbraw/zinc/08/71/26/1019087126.db2.gz ZVRVGYOTQRWKDI-OAQYLSRUSA-N 1 1 319.452 3.512 20 30 DHEDMO Cn1c2ccc(NCc3csc(C#N)c3)cc2[nH+]c1C1CC1 ZINC000921938985 1019166016 /nfs/dbraw/zinc/16/60/16/1019166016.db2.gz LVDZUOBPMJQVMH-UHFFFAOYSA-N 1 1 308.410 3.996 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000172254892 1019251963 /nfs/dbraw/zinc/25/19/63/1019251963.db2.gz PIPCDVJMLVKVDG-UHFFFAOYSA-N 1 1 322.252 3.875 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)c1 ZINC000172254892 1019251966 /nfs/dbraw/zinc/25/19/66/1019251966.db2.gz PIPCDVJMLVKVDG-UHFFFAOYSA-N 1 1 322.252 3.875 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3c2cc(F)cc3F)c(F)c1 ZINC000611071407 1019392931 /nfs/dbraw/zinc/39/29/31/1019392931.db2.gz QLEQTUYEQZVLBS-KRWDZBQOSA-N 1 1 302.299 3.753 20 30 DHEDMO COc1ccc2c(c1)OCC[N@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC000338634868 1019395090 /nfs/dbraw/zinc/39/50/90/1019395090.db2.gz ANUPZVRDPLQKHR-AWEZNQCLSA-N 1 1 308.381 3.522 20 30 DHEDMO COc1ccc2c(c1)OCC[N@@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC000338634868 1019395108 /nfs/dbraw/zinc/39/51/08/1019395108.db2.gz ANUPZVRDPLQKHR-AWEZNQCLSA-N 1 1 308.381 3.522 20 30 DHEDMO CC(C)[N@@H+](Cc1[nH]nc2ccccc21)Cc1ccc(C#N)cc1 ZINC000611254874 1019420831 /nfs/dbraw/zinc/42/08/31/1019420831.db2.gz SAKNIEWPROIOGB-UHFFFAOYSA-N 1 1 304.397 3.845 20 30 DHEDMO CCN1C[C@H](C[N@@H+](C)CC(C)(C)CCC#N)Oc2ccccc21 ZINC000611253178 1019421971 /nfs/dbraw/zinc/42/19/71/1019421971.db2.gz MKQRMQNNTVMRGM-INIZCTEOSA-N 1 1 315.461 3.536 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c1F ZINC000611371869 1019456417 /nfs/dbraw/zinc/45/64/17/1019456417.db2.gz ZYXBSBNSJBKTMJ-QGZVFWFLSA-N 1 1 312.413 3.987 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)c1F ZINC000611371869 1019456423 /nfs/dbraw/zinc/45/64/23/1019456423.db2.gz ZYXBSBNSJBKTMJ-QGZVFWFLSA-N 1 1 312.413 3.987 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1C#N ZINC000611348057 1019457019 /nfs/dbraw/zinc/45/70/19/1019457019.db2.gz PLGJXWZWKDSBJE-HNNXBMFYSA-N 1 1 308.429 3.673 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@@H](C)C2(C)CC2)c1C#N ZINC000611348057 1019457030 /nfs/dbraw/zinc/45/70/30/1019457030.db2.gz PLGJXWZWKDSBJE-HNNXBMFYSA-N 1 1 308.429 3.673 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c1F ZINC000611371595 1019459286 /nfs/dbraw/zinc/45/92/86/1019459286.db2.gz CIJBQIZAVWZOKP-SFHVURJKSA-N 1 1 310.372 3.661 20 30 DHEDMO Cc1ccc2nc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)[nH]c2c1 ZINC000611393569 1019467738 /nfs/dbraw/zinc/46/77/38/1019467738.db2.gz HOQBLUJQNVLKKU-QGZVFWFLSA-N 1 1 316.408 3.910 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000611554309 1019515225 /nfs/dbraw/zinc/51/52/25/1019515225.db2.gz KURSWNZBOIJDCT-BXUZGUMPSA-N 1 1 312.335 3.730 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000611554309 1019515236 /nfs/dbraw/zinc/51/52/36/1019515236.db2.gz KURSWNZBOIJDCT-BXUZGUMPSA-N 1 1 312.335 3.730 20 30 DHEDMO CC(C)([NH2+]Cc1csc(C#N)c1)c1ccccc1[N+](=O)[O-] ZINC000922144831 1019517471 /nfs/dbraw/zinc/51/74/71/1019517471.db2.gz YPGHBJGVJCGBGH-UHFFFAOYSA-N 1 1 301.371 3.553 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CN[C@@H](C)c1ccc(F)cn1)C(C)C ZINC000092738713 1019535045 /nfs/dbraw/zinc/53/50/45/1019535045.db2.gz RBXSZTSLUKEMRQ-YJBOKZPZSA-N 1 1 305.441 3.570 20 30 DHEDMO CC(C)[C@@H]1CCCCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001168581740 1019578459 /nfs/dbraw/zinc/57/84/59/1019578459.db2.gz XQVUDMCYRGOZNA-SFHVURJKSA-N 1 1 313.445 3.787 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000137192822 1019605254 /nfs/dbraw/zinc/60/52/54/1019605254.db2.gz JHCVXKBEOOVYOU-HUUCEWRRSA-N 1 1 318.486 3.881 20 30 DHEDMO C[C@@H]1C[C@H](N[C@@H](C#N)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001171721379 1032843606 /nfs/dbraw/zinc/84/36/06/1032843606.db2.gz QFNYXQUJHBLJHX-UXPWSPDFSA-N 1 1 305.425 3.504 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(OC(F)F)c1 ZINC000143940903 1019671346 /nfs/dbraw/zinc/67/13/46/1019671346.db2.gz GRIXINXHUHOYPN-UHFFFAOYSA-N 1 1 302.324 3.792 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1OC ZINC000129662443 1032850250 /nfs/dbraw/zinc/85/02/50/1032850250.db2.gz RBGHWSNMIYBWNP-UHFFFAOYSA-N 1 1 319.445 3.509 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000336845331 1032850427 /nfs/dbraw/zinc/85/04/27/1032850427.db2.gz KOAAENRWLDMHDC-JKSUJKDBSA-N 1 1 310.507 3.693 20 30 DHEDMO C=CCNC(=S)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000727704680 1019765411 /nfs/dbraw/zinc/76/54/11/1019765411.db2.gz IUCIYTVJWYRYHG-ZDUSSCGKSA-N 1 1 303.475 3.519 20 30 DHEDMO C=C[C@@H](CC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC000536234062 1019806947 /nfs/dbraw/zinc/80/69/47/1019806947.db2.gz PAGAVBCMRDOWNS-OXJNMPFZSA-N 1 1 320.436 3.649 20 30 DHEDMO C=C[C@@H](CC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC000536234062 1019806964 /nfs/dbraw/zinc/80/69/64/1019806964.db2.gz PAGAVBCMRDOWNS-OXJNMPFZSA-N 1 1 320.436 3.649 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000685464032 1019845631 /nfs/dbraw/zinc/84/56/31/1019845631.db2.gz BMEYLFQOXDPCMC-MJGOQNOKSA-N 1 1 315.457 3.890 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000685464465 1019847224 /nfs/dbraw/zinc/84/72/24/1019847224.db2.gz JKNVROITOAVGAE-ROUUACIJSA-N 1 1 315.457 3.890 20 30 DHEDMO C[C@@H]1C[C@H](NCc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000080338965 1019860218 /nfs/dbraw/zinc/86/02/18/1019860218.db2.gz LPGZSQCHBMLRLK-DYESRHJHSA-N 1 1 319.452 3.701 20 30 DHEDMO C[C@@H]1C[C@H](NCc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000080338965 1019860232 /nfs/dbraw/zinc/86/02/32/1019860232.db2.gz LPGZSQCHBMLRLK-DYESRHJHSA-N 1 1 319.452 3.701 20 30 DHEDMO C[C@@H](CC#N)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000068608836 1019913519 /nfs/dbraw/zinc/91/35/19/1019913519.db2.gz GWZIWXSJMZJXNA-GJZGRUSLSA-N 1 1 307.397 3.892 20 30 DHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2OC)C1 ZINC000154153835 1020077013 /nfs/dbraw/zinc/07/70/13/1020077013.db2.gz SNBIYJSJHMAHIR-HZPDHXFCSA-N 1 1 304.459 3.673 20 30 DHEDMO Oc1ccccc1/C=N/C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000731489011 1020109509 /nfs/dbraw/zinc/10/95/09/1020109509.db2.gz ZBRYENJZVZFNDN-ACRNLXFHSA-N 1 1 300.446 3.856 20 30 DHEDMO Oc1cccc(/C=N\C[C@H]2CCC[N@H+]2CC2CCCCC2)c1O ZINC000731488706 1020110706 /nfs/dbraw/zinc/11/07/06/1020110706.db2.gz PRHXNPFKGHWWPW-SYERDGIWSA-N 1 1 316.445 3.561 20 30 DHEDMO C[N@@H+](CCCOc1cccc(C#N)c1)CCc1cccs1 ZINC000093268152 1020141463 /nfs/dbraw/zinc/14/14/63/1020141463.db2.gz MTBFRSBLEUTJGB-UHFFFAOYSA-N 1 1 300.427 3.563 20 30 DHEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000093660886 1020163880 /nfs/dbraw/zinc/16/38/80/1020163880.db2.gz LOWXSJBPRGFRNH-GOSISDBHSA-N 1 1 318.424 3.659 20 30 DHEDMO C[C@@H]1CCC[N@H+]1C1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000154959676 1020169568 /nfs/dbraw/zinc/16/95/68/1020169568.db2.gz UPPKRMZCFJCOKO-OAHLLOKOSA-N 1 1 320.440 3.560 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000155064423 1020185450 /nfs/dbraw/zinc/18/54/50/1020185450.db2.gz AMCYGSBIHQCVMG-LJQANCHMSA-N 1 1 309.388 3.774 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000155064423 1020185454 /nfs/dbraw/zinc/18/54/54/1020185454.db2.gz AMCYGSBIHQCVMG-LJQANCHMSA-N 1 1 309.388 3.774 20 30 DHEDMO CC[N@@H+](Cc1cccc2c1OCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000179294344 1020244302 /nfs/dbraw/zinc/24/43/02/1020244302.db2.gz WZCGHKJZDHWQSV-AWEZNQCLSA-N 1 1 308.381 3.870 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000280917636 1020315831 /nfs/dbraw/zinc/31/58/31/1020315831.db2.gz GBNJRQSDYUSBOE-UHOSZYNNSA-N 1 1 316.420 3.603 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@@H]2CC=CCC2)c1C#N ZINC000612144396 1020335828 /nfs/dbraw/zinc/33/58/28/1020335828.db2.gz ALQUVZBFBUBNHF-QGZVFWFLSA-N 1 1 320.440 3.841 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@@H]2CC=CCC2)c1C#N ZINC000612144396 1020335836 /nfs/dbraw/zinc/33/58/36/1020335836.db2.gz ALQUVZBFBUBNHF-QGZVFWFLSA-N 1 1 320.440 3.841 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)C[C@H]2CC=CCC2)c1C#N ZINC000612144395 1020336208 /nfs/dbraw/zinc/33/62/08/1020336208.db2.gz ALQUVZBFBUBNHF-KRWDZBQOSA-N 1 1 320.440 3.841 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C[C@H]2CC=CCC2)c1C#N ZINC000612144395 1020336217 /nfs/dbraw/zinc/33/62/17/1020336217.db2.gz ALQUVZBFBUBNHF-KRWDZBQOSA-N 1 1 320.440 3.841 20 30 DHEDMO N#Cc1ccc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000310280067 1020347217 /nfs/dbraw/zinc/34/72/17/1020347217.db2.gz PICUMPQRCSQGLK-IBGZPJMESA-N 1 1 320.440 3.667 20 30 DHEDMO Cc1cc(C#N)cc(NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000310252886 1020347979 /nfs/dbraw/zinc/34/79/79/1020347979.db2.gz DWRHTQIFGRMZKT-FQEVSTJZSA-N 1 1 320.440 3.586 20 30 DHEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000156744935 1020376698 /nfs/dbraw/zinc/37/66/98/1020376698.db2.gz MGBWDVVXOSMLCL-KRWDZBQOSA-N 1 1 313.445 3.787 20 30 DHEDMO C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)Cc1ccc(C#N)cc1 ZINC000131182617 1020420494 /nfs/dbraw/zinc/42/04/94/1020420494.db2.gz MPSPEHMUBYFTJH-UHFFFAOYSA-N 1 1 320.371 3.719 20 30 DHEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000153602866 1020431899 /nfs/dbraw/zinc/43/18/99/1020431899.db2.gz OGGXBQGTYRZISF-CQSZACIVSA-N 1 1 308.381 3.870 20 30 DHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc3nc[nH]c3c2)c1 ZINC000733800477 1020447909 /nfs/dbraw/zinc/44/79/09/1020447909.db2.gz VEDWLWNVYJGPIO-MRXNPFEDSA-N 1 1 320.396 3.534 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC001171840551 1032902854 /nfs/dbraw/zinc/90/28/54/1032902854.db2.gz FDCFMMXMEABOSN-WMLDXEAASA-N 1 1 318.848 3.733 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC001171847677 1032903149 /nfs/dbraw/zinc/90/31/49/1032903149.db2.gz PKJPQIKCDNOEBK-GFCCVEGCSA-N 1 1 310.800 3.706 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000364519505 1020464579 /nfs/dbraw/zinc/46/45/79/1020464579.db2.gz LHESJHZRDQTDAO-GOSISDBHSA-N 1 1 316.408 3.745 20 30 DHEDMO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(C(F)F)CC1 ZINC000766191595 1020494676 /nfs/dbraw/zinc/49/46/76/1020494676.db2.gz UAQUMTQUFYFBEO-UHFFFAOYSA-N 1 1 314.763 3.719 20 30 DHEDMO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1cccc(C#N)c1 ZINC000364762679 1020499563 /nfs/dbraw/zinc/49/95/63/1020499563.db2.gz BOYLWCJPHTUAPK-QRWLVFNGSA-N 1 1 316.408 3.732 20 30 DHEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000301447726 1020511446 /nfs/dbraw/zinc/51/14/46/1020511446.db2.gz OPDQVLHBKBIVKP-IBGZPJMESA-N 1 1 305.425 3.517 20 30 DHEDMO COCC#CC[N@@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000677820501 1020555424 /nfs/dbraw/zinc/55/54/24/1020555424.db2.gz PJXTYKACKAMKCY-HNNXBMFYSA-N 1 1 314.454 3.761 20 30 DHEDMO N#CC1(CCC[N@@H+](C[C@@H]2CCCO2)C2CCCC2)CCOCC1 ZINC000337171154 1032910753 /nfs/dbraw/zinc/91/07/53/1032910753.db2.gz FOZNCKNTYQQOGD-SFHVURJKSA-N 1 1 320.477 3.511 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000303698689 1020592644 /nfs/dbraw/zinc/59/26/44/1020592644.db2.gz ASSCVGLWLNUNLN-OAHLLOKOSA-N 1 1 322.880 3.627 20 30 DHEDMO CC[C@@](C)(O)C[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000188580480 1020596544 /nfs/dbraw/zinc/59/65/44/1020596544.db2.gz ZCYKKQBCUSWQJL-GOSISDBHSA-N 1 1 314.454 3.783 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@@H+](C)C(C2CC2)C2CC2)c1=S ZINC000066078940 1020701229 /nfs/dbraw/zinc/70/12/29/1020701229.db2.gz BLSXJEVFWWYPRH-UHFFFAOYSA-N 1 1 318.490 3.555 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@H+](C)C(C2CC2)C2CC2)c1=S ZINC000066078940 1020701233 /nfs/dbraw/zinc/70/12/33/1020701233.db2.gz BLSXJEVFWWYPRH-UHFFFAOYSA-N 1 1 318.490 3.555 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000735494306 1020744316 /nfs/dbraw/zinc/74/43/16/1020744316.db2.gz BLORVPYUEDFHJG-IBGZPJMESA-N 1 1 324.449 3.879 20 30 DHEDMO CCCCCC[N@@H+](C)CC(=O)N(CCC#N)c1ccc(C)cc1 ZINC000735655194 1020759607 /nfs/dbraw/zinc/75/96/07/1020759607.db2.gz BKICMVBCOHKNTM-UHFFFAOYSA-N 1 1 315.461 3.754 20 30 DHEDMO C=C(Cl)C[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000735925711 1020780073 /nfs/dbraw/zinc/78/00/73/1020780073.db2.gz OGGSLWGYYZHOAK-UHFFFAOYSA-N 1 1 310.228 3.985 20 30 DHEDMO CCOc1cc2c(cc1C[NH2+]CC#Cc1ccccc1)O[C@@H](C)C2 ZINC000736355445 1020811351 /nfs/dbraw/zinc/81/13/51/1020811351.db2.gz MHDJCWIICYWHTF-INIZCTEOSA-N 1 1 321.420 3.550 20 30 DHEDMO C=CCCC[N@H+](C)Cn1ncc2c1cccc2Br ZINC000736584925 1020822636 /nfs/dbraw/zinc/82/26/36/1020822636.db2.gz SMMDMSHORVLXRT-UHFFFAOYSA-N 1 1 308.223 3.654 20 30 DHEDMO NC(CCc1ccccc1)=[NH+]OCc1coc(-c2ccccc2)n1 ZINC000066374102 1020832380 /nfs/dbraw/zinc/83/23/80/1020832380.db2.gz RTKPUGWWNSDQLV-UHFFFAOYSA-N 1 1 321.380 3.763 20 30 DHEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000173010625 1020895760 /nfs/dbraw/zinc/89/57/60/1020895760.db2.gz BKTFEUJYTGQWNM-CQSZACIVSA-N 1 1 312.335 3.601 20 30 DHEDMO CC(C)[N@@H+](CC(=O)Nc1ccccc1SCC#N)C1CCC1 ZINC000173519322 1020917819 /nfs/dbraw/zinc/91/78/19/1020917819.db2.gz MSCPVRFNQZRWRU-UHFFFAOYSA-N 1 1 317.458 3.504 20 30 DHEDMO C=CCCCCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000739885006 1020919653 /nfs/dbraw/zinc/91/96/53/1020919653.db2.gz MEOIZHYLWBTRHE-UHFFFAOYSA-N 1 1 302.378 3.580 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000739919167 1020925471 /nfs/dbraw/zinc/92/54/71/1020925471.db2.gz IAZDPBYHKTYKHL-UHFFFAOYSA-N 1 1 312.800 3.801 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000739919167 1020925475 /nfs/dbraw/zinc/92/54/75/1020925475.db2.gz IAZDPBYHKTYKHL-UHFFFAOYSA-N 1 1 312.800 3.801 20 30 DHEDMO C[C@H]1CC(N=Nc2nc(-c3ccccc3)cs2)CC[N@H+]1C ZINC000741462362 1021008709 /nfs/dbraw/zinc/00/87/09/1021008709.db2.gz NPJMQSUNIAKYKH-LBPRGKRZSA-N 1 1 300.431 3.692 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)cc1 ZINC000264522720 1032949969 /nfs/dbraw/zinc/94/99/69/1032949969.db2.gz BAQMCDYVVSNBQG-GOSISDBHSA-N 1 1 322.408 3.587 20 30 DHEDMO COC(=O)c1cc2cc(C[N@H+](CCC#N)CC(C)C)ccc2o1 ZINC000741797038 1021055775 /nfs/dbraw/zinc/05/57/75/1021055775.db2.gz ZQSPOBWXZGNNND-UHFFFAOYSA-N 1 1 314.385 3.591 20 30 DHEDMO COC(=O)c1cc2cc(C[N@@H+](CCC#N)CC(C)C)ccc2o1 ZINC000741797038 1021055779 /nfs/dbraw/zinc/05/57/79/1021055779.db2.gz ZQSPOBWXZGNNND-UHFFFAOYSA-N 1 1 314.385 3.591 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000472580934 1021075644 /nfs/dbraw/zinc/07/56/44/1021075644.db2.gz LYWYXOKASHCLSX-JKSUJKDBSA-N 1 1 311.878 3.757 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000249327227 1021080224 /nfs/dbraw/zinc/08/02/24/1021080224.db2.gz NYXCPVJBANPHQQ-CABCVRRESA-N 1 1 306.475 3.698 20 30 DHEDMO CC(C)[C@](C)(C#N)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171971754 1032958306 /nfs/dbraw/zinc/95/83/06/1032958306.db2.gz JUZULYQWALNCFS-ICSRJNTNSA-N 1 1 313.489 3.957 20 30 DHEDMO CC(C)(C)c1ccc(C#N)c(NC[C@H]2CCCC[N@H+]2C2CC2)n1 ZINC000617976653 1021202317 /nfs/dbraw/zinc/20/23/17/1021202317.db2.gz HZBOMVZHMPLHDG-MRXNPFEDSA-N 1 1 312.461 3.680 20 30 DHEDMO Cn1cc[nH+]c1C[C@H](/N=C/c1ccccc1O)c1ccccc1 ZINC000743044601 1021208455 /nfs/dbraw/zinc/20/84/55/1021208455.db2.gz MSNXQHJAEYNXFI-JPOGYNCRSA-N 1 1 305.381 3.529 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H](C)C(C)C ZINC000177176766 1021220124 /nfs/dbraw/zinc/22/01/24/1021220124.db2.gz RDUZZWUCKOOIPN-LBPRGKRZSA-N 1 1 307.463 3.542 20 30 DHEDMO C=C(Cl)C[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000925438205 1021251578 /nfs/dbraw/zinc/25/15/78/1021251578.db2.gz WFIXIJLFKANGMS-NSHDSACASA-N 1 1 301.615 3.564 20 30 DHEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000091080399 1021261897 /nfs/dbraw/zinc/26/18/97/1021261897.db2.gz POSUBFJAYLKLFG-KRWDZBQOSA-N 1 1 313.832 3.869 20 30 DHEDMO N#Cc1ccccc1O[C@@H]1CCC[N@H+](CCCC(F)(F)F)C1 ZINC001202434090 1021270126 /nfs/dbraw/zinc/27/01/26/1021270126.db2.gz YLPKGXLXXNZWBU-CQSZACIVSA-N 1 1 312.335 3.744 20 30 DHEDMO N#CCCOCC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000338920838 1021328344 /nfs/dbraw/zinc/32/83/44/1021328344.db2.gz NXJVHXNMZQXGDX-HNNXBMFYSA-N 1 1 323.234 3.516 20 30 DHEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H](C)c1cccc(C#N)c1 ZINC001167708522 1021332581 /nfs/dbraw/zinc/33/25/81/1021332581.db2.gz GXHRVRRXJRZUTO-ZDUSSCGKSA-N 1 1 303.369 3.662 20 30 DHEDMO CCCCCCCC[C@H](O)C[N@H+]1CCc2nc(C)sc2C1 ZINC001252130661 1021344744 /nfs/dbraw/zinc/34/47/44/1021344744.db2.gz VXTQRZVZVXEYQJ-HNNXBMFYSA-N 1 1 310.507 3.921 20 30 DHEDMO C=C(CC)C[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000538001656 1032974016 /nfs/dbraw/zinc/97/40/16/1032974016.db2.gz CYWIRRNLYQUBNG-HNNXBMFYSA-N 1 1 310.235 3.789 20 30 DHEDMO C=C(CC)C[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000538001656 1032974030 /nfs/dbraw/zinc/97/40/30/1032974030.db2.gz CYWIRRNLYQUBNG-HNNXBMFYSA-N 1 1 310.235 3.789 20 30 DHEDMO N#C[C@@H]1CCC[C@@H](N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000618568728 1021427221 /nfs/dbraw/zinc/42/72/21/1021427221.db2.gz ZZYRVTBRJUTPHQ-MISYRCLQSA-N 1 1 311.473 3.886 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001140886833 1021437980 /nfs/dbraw/zinc/43/79/80/1021437980.db2.gz IZVQLHQMUHLYHD-NSHDSACASA-N 1 1 316.298 3.850 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001140886833 1021437985 /nfs/dbraw/zinc/43/79/85/1021437985.db2.gz IZVQLHQMUHLYHD-NSHDSACASA-N 1 1 316.298 3.850 20 30 DHEDMO N#C[C@@H]1CCCCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073577 1032980650 /nfs/dbraw/zinc/98/06/50/1032980650.db2.gz APINDPASDFPWOA-JSXRDJHFSA-N 1 1 323.484 3.950 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000589820849 1021498167 /nfs/dbraw/zinc/49/81/67/1021498167.db2.gz BXTDLTLRWRBBJR-ZFWWWQNUSA-N 1 1 302.422 3.804 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1nc2c(s1)CCCC2 ZINC000618742127 1021502236 /nfs/dbraw/zinc/50/22/36/1021502236.db2.gz QNRMIHJTZALDNR-OAHLLOKOSA-N 1 1 309.438 3.671 20 30 DHEDMO N#Cc1ccc(CN2CCC[N@H+]([C@@H]3C=CCCCCC3)CC2)cc1 ZINC000556103444 1021526591 /nfs/dbraw/zinc/52/65/91/1021526591.db2.gz CFKSJAXTOJOORK-OAQYLSRUSA-N 1 1 323.484 3.955 20 30 DHEDMO N#CC1(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC001172066688 1032988786 /nfs/dbraw/zinc/98/87/86/1032988786.db2.gz JSNQRYJRIWZHKO-REPLKXPHSA-N 1 1 309.457 3.608 20 30 DHEDMO C=CCOCCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000850531991 1021584994 /nfs/dbraw/zinc/58/49/94/1021584994.db2.gz OZDQXXAMGROBND-LLVKDONJSA-N 1 1 303.324 3.654 20 30 DHEDMO C=CCOCCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000850530885 1021585042 /nfs/dbraw/zinc/58/50/42/1021585042.db2.gz FOYBAZYSXIYPEW-SNVBAGLBSA-N 1 1 304.217 3.942 20 30 DHEDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2cccc(C#N)c2F)c1 ZINC000538140134 1032995774 /nfs/dbraw/zinc/99/57/74/1032995774.db2.gz RCQRISKLHOAXKX-GOSISDBHSA-N 1 1 324.399 3.913 20 30 DHEDMO C=CCCOCC(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000590241811 1021673287 /nfs/dbraw/zinc/67/32/87/1021673287.db2.gz OLKLDALZPICTBM-UHFFFAOYSA-N 1 1 316.445 3.580 20 30 DHEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(OCC#N)cc2)s1 ZINC000264593615 1032997016 /nfs/dbraw/zinc/99/70/16/1032997016.db2.gz ZSHKKGQJJUUUQW-ZDUSSCGKSA-N 1 1 315.442 3.855 20 30 DHEDMO CCCCCCC[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000745703369 1021768425 /nfs/dbraw/zinc/76/84/25/1021768425.db2.gz NRUMUVPPOBQARA-GVDBMIGSSA-N 1 1 311.514 3.765 20 30 DHEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000619512841 1021775659 /nfs/dbraw/zinc/77/56/59/1021775659.db2.gz CHVDSUFWEFWWNK-IBGZPJMESA-N 1 1 300.446 3.879 20 30 DHEDMO N#Cc1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000194956820 1021825593 /nfs/dbraw/zinc/82/55/93/1021825593.db2.gz LBILZWXTQNHGEL-UHFFFAOYSA-N 1 1 307.353 3.631 20 30 DHEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000194956820 1021825611 /nfs/dbraw/zinc/82/56/11/1021825611.db2.gz LBILZWXTQNHGEL-UHFFFAOYSA-N 1 1 307.353 3.631 20 30 DHEDMO COc1cc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)ccc1C#N ZINC000619674392 1021825781 /nfs/dbraw/zinc/82/57/81/1021825781.db2.gz AWRBOVUDESQIKH-FQEVSTJZSA-N 1 1 322.408 3.530 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc4c(n3)CCC4)CC2)cc1 ZINC000556773406 1021844972 /nfs/dbraw/zinc/84/49/72/1021844972.db2.gz IQGMUSACIMGCLW-UHFFFAOYSA-N 1 1 315.420 3.731 20 30 DHEDMO CC(C)[N@@H+](CCOCCC#N)Cc1cccc(C(F)(F)F)c1 ZINC000338937142 1021890262 /nfs/dbraw/zinc/89/02/62/1021890262.db2.gz CSSYBYUMBDEZCH-UHFFFAOYSA-N 1 1 314.351 3.846 20 30 DHEDMO C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000195136585 1021923456 /nfs/dbraw/zinc/92/34/56/1021923456.db2.gz KLXQBNDKJZPKRD-FXAWDEMLSA-N 1 1 319.452 3.731 20 30 DHEDMO C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000195136585 1021923469 /nfs/dbraw/zinc/92/34/69/1021923469.db2.gz KLXQBNDKJZPKRD-FXAWDEMLSA-N 1 1 319.452 3.731 20 30 DHEDMO C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000195136585 1021923478 /nfs/dbraw/zinc/92/34/78/1021923478.db2.gz KLXQBNDKJZPKRD-FXAWDEMLSA-N 1 1 319.452 3.731 20 30 DHEDMO CCCCCCCC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000763444306 1021959769 /nfs/dbraw/zinc/95/97/69/1021959769.db2.gz ILGBLCZHJSSSIU-DLBZAZTESA-N 1 1 309.450 3.764 20 30 DHEDMO CCCCCCCC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000763444306 1021959776 /nfs/dbraw/zinc/95/97/76/1021959776.db2.gz ILGBLCZHJSSSIU-DLBZAZTESA-N 1 1 309.450 3.764 20 30 DHEDMO C#CCOCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000851879048 1022027554 /nfs/dbraw/zinc/02/75/54/1022027554.db2.gz GCAXSPPXGQMPCH-KRWDZBQOSA-N 1 1 309.409 3.605 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000851944145 1022045491 /nfs/dbraw/zinc/04/54/91/1022045491.db2.gz JUDXERIZEYTGDT-MRXNPFEDSA-N 1 1 312.363 3.868 20 30 DHEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(-c2cccc(OC)c2)n1 ZINC000852097712 1022073292 /nfs/dbraw/zinc/07/32/92/1022073292.db2.gz UZBYIFOBJLUFEG-QGZVFWFLSA-N 1 1 300.427 3.710 20 30 DHEDMO COc1cccc(O)c1/C=N\[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000920175598 1022074587 /nfs/dbraw/zinc/07/45/87/1022074587.db2.gz YEPDMMAOOCVUCI-DRVKVKATSA-N 1 1 324.424 3.655 20 30 DHEDMO C#C[C@](C)(CC)[NH2+][C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000852099897 1022074524 /nfs/dbraw/zinc/07/45/24/1022074524.db2.gz RFVWYNZQFIXKHP-BDJLRTHQSA-N 1 1 303.793 3.843 20 30 DHEDMO CC(C)c1cccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000852211801 1022090443 /nfs/dbraw/zinc/09/04/43/1022090443.db2.gz WVTHWAOUGQQPDK-HXUWFJFHSA-N 1 1 308.425 3.847 20 30 DHEDMO C[N@@H+](CC[C@@H]1CCc2ccccc21)C[C@H](O)c1cccc(C#N)c1 ZINC000852210563 1022090575 /nfs/dbraw/zinc/09/05/75/1022090575.db2.gz HTOYRJZEHHGFGV-RXVVDRJESA-N 1 1 320.436 3.644 20 30 DHEDMO C[N@@H+](CCCC(C)(C)C#N)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307735 1022102120 /nfs/dbraw/zinc/10/21/20/1022102120.db2.gz FUPMZKUGJHLUIP-UHFFFAOYSA-N 1 1 311.470 3.551 20 30 DHEDMO Cc1ccc(N2CCC[N@@H+](CC#Cc3ccc(F)cc3)CC2)cc1 ZINC000746451325 1022104544 /nfs/dbraw/zinc/10/45/44/1022104544.db2.gz WJULOKPISVLGIA-UHFFFAOYSA-N 1 1 322.427 3.698 20 30 DHEDMO CCc1ccccc1CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331970 1022106728 /nfs/dbraw/zinc/10/67/28/1022106728.db2.gz FGDWMDDCKDPLJR-NRFANRHFSA-N 1 1 319.452 3.744 20 30 DHEDMO CCc1ccccc1CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331970 1022106738 /nfs/dbraw/zinc/10/67/38/1022106738.db2.gz FGDWMDDCKDPLJR-NRFANRHFSA-N 1 1 319.452 3.744 20 30 DHEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000852328647 1022107915 /nfs/dbraw/zinc/10/79/15/1022107915.db2.gz JTWMUQKEWYZKBH-NRFANRHFSA-N 1 1 317.436 3.628 20 30 DHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000852328647 1022107919 /nfs/dbraw/zinc/10/79/19/1022107919.db2.gz JTWMUQKEWYZKBH-NRFANRHFSA-N 1 1 317.436 3.628 20 30 DHEDMO CC(C)(C)OC(=O)N1CC[N@@H+](CCCC#N)C2(CCCCC2)C1 ZINC000746480654 1022133280 /nfs/dbraw/zinc/13/32/80/1022133280.db2.gz MUJRYRNXWLBYIG-UHFFFAOYSA-N 1 1 321.465 3.546 20 30 DHEDMO Cc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)c(-c2cnn(C)c2)c1 ZINC000338947497 1022139574 /nfs/dbraw/zinc/13/95/74/1022139574.db2.gz QNUQMZFWCJZDIG-HNNXBMFYSA-N 1 1 308.429 3.520 20 30 DHEDMO C=C(CC)C[NH+]1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC001168871441 1022159078 /nfs/dbraw/zinc/15/90/78/1022159078.db2.gz AJQAVNLNGKNYCF-UHFFFAOYSA-N 1 1 321.852 3.764 20 30 DHEDMO C[C@@H]1C[C@H]([N@@H+](CCC#N)C2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168869052 1022159583 /nfs/dbraw/zinc/15/95/83/1022159583.db2.gz VXONMQBTLJXVKM-ZBFHGGJFSA-N 1 1 321.465 3.543 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccccc1C(F)(F)F ZINC000852685667 1022159624 /nfs/dbraw/zinc/15/96/24/1022159624.db2.gz HUFOORAOJTYIEK-DVOMOZLQSA-N 1 1 311.347 3.922 20 30 DHEDMO N#CCC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCCCCC1 ZINC001169027404 1022220094 /nfs/dbraw/zinc/22/00/94/1022220094.db2.gz PHMOYVPTGIFXFC-RDJZCZTQSA-N 1 1 307.438 3.760 20 30 DHEDMO N#CCC[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038816 1022221410 /nfs/dbraw/zinc/22/14/10/1022221410.db2.gz KNTVFZUBBNXVBX-HOCLYGCPSA-N 1 1 321.808 3.501 20 30 DHEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659945521 1022231060 /nfs/dbraw/zinc/23/10/60/1022231060.db2.gz AXEYYMAHFPOFEN-KRWDZBQOSA-N 1 1 308.510 3.949 20 30 DHEDMO Oc1ccccc1/C=N/C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000921261691 1022238789 /nfs/dbraw/zinc/23/87/89/1022238789.db2.gz SNXWWEAMWPDARZ-SXZORUHJSA-N 1 1 308.425 3.723 20 30 DHEDMO C#Cc1cccnc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000853314641 1022254898 /nfs/dbraw/zinc/25/48/98/1022254898.db2.gz WPSBCRRVKVURMY-IHWFROFDSA-N 1 1 317.436 3.670 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(O)c(C(C)(C)C)c1 ZINC000853524999 1022287786 /nfs/dbraw/zinc/28/77/86/1022287786.db2.gz AYABCDBWQZRSGR-CQSZACIVSA-N 1 1 316.445 3.824 20 30 DHEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000609625646 1022317565 /nfs/dbraw/zinc/31/75/65/1022317565.db2.gz HLQUSMSOUFLGRB-HXUWFJFHSA-N 1 1 306.409 3.946 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000609822893 1022361526 /nfs/dbraw/zinc/36/15/26/1022361526.db2.gz PZVTWQPUGSEXPV-AHRSYUTCSA-N 1 1 317.436 3.687 20 30 DHEDMO C=C1CC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H](CC)CCCC)C1 ZINC001272709819 1022383412 /nfs/dbraw/zinc/38/34/12/1022383412.db2.gz ZQFBVKMWVYUESH-YTQUADARSA-N 1 1 318.505 3.844 20 30 DHEDMO CCC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000610133323 1022424400 /nfs/dbraw/zinc/42/44/00/1022424400.db2.gz FOHSFXXVVZVEQN-CGTJXYLNSA-N 1 1 316.420 3.723 20 30 DHEDMO Cc1nnsc1[C@@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000930159559 1022470470 /nfs/dbraw/zinc/47/04/70/1022470470.db2.gz UFUURJVVGHDRJJ-CYBMUJFWSA-N 1 1 310.426 3.569 20 30 DHEDMO Cc1nnsc1[C@@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000930159559 1022470478 /nfs/dbraw/zinc/47/04/78/1022470478.db2.gz UFUURJVVGHDRJJ-CYBMUJFWSA-N 1 1 310.426 3.569 20 30 DHEDMO CCCCCCCC[C@H](C)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000854605028 1022502361 /nfs/dbraw/zinc/50/23/61/1022502361.db2.gz GQWZVECMESBUNJ-HKUYNNGSSA-N 1 1 308.510 3.927 20 30 DHEDMO C#C[C@](C)(CC)Nc1nc(C[NH+](C)C)nc2sc(C)c(C)c21 ZINC001169691842 1022502905 /nfs/dbraw/zinc/50/29/05/1022502905.db2.gz GRLRIPVNZLCHEH-QGZVFWFLSA-N 1 1 316.474 3.584 20 30 DHEDMO C#C[C@@](C)(CC)Nc1nccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001169693614 1022504395 /nfs/dbraw/zinc/50/43/95/1022504395.db2.gz XDPFAHOEDQWFCF-NRFANRHFSA-N 1 1 319.452 3.854 20 30 DHEDMO C=CC[NH+]1CCN(Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001143506133 1022519031 /nfs/dbraw/zinc/51/90/31/1022519031.db2.gz ZCLGIHIWAUDQAQ-UHFFFAOYSA-N 1 1 318.770 3.662 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC001169724009 1022519195 /nfs/dbraw/zinc/51/91/95/1022519195.db2.gz KIVGRGAYAODXDP-INIZCTEOSA-N 1 1 316.445 3.704 20 30 DHEDMO C[N@@H+](CCC(C)(C)C#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000157596383 1022559605 /nfs/dbraw/zinc/55/96/05/1022559605.db2.gz UXBOBAHDCSBZIW-UHFFFAOYSA-N 1 1 300.324 3.957 20 30 DHEDMO C=CC[C@@H]1[N@@H+](CC(=O)N[C@H](C)c2ccccc2)CCCC1(C)C ZINC001169844107 1022562550 /nfs/dbraw/zinc/56/25/50/1022562550.db2.gz KLNCPPXLABIWJV-AEFFLSMTSA-N 1 1 314.473 3.931 20 30 DHEDMO CCCCCCCCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000766845741 1022566012 /nfs/dbraw/zinc/56/60/12/1022566012.db2.gz KKVBDAOTYMWRKH-QZTJIDSGSA-N 1 1 323.525 3.863 20 30 DHEDMO C#CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000766896569 1022606336 /nfs/dbraw/zinc/60/63/36/1022606336.db2.gz SYKFMPHICZPNEI-IRXDYDNUSA-N 1 1 320.477 3.511 20 30 DHEDMO C#CCC(C)(C)C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000767103439 1022638999 /nfs/dbraw/zinc/63/89/99/1022638999.db2.gz RRPLKGGOABRQHC-UHFFFAOYSA-N 1 1 320.521 3.643 20 30 DHEDMO C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000584720386 1022661396 /nfs/dbraw/zinc/66/13/96/1022661396.db2.gz HEHDEPCDSFXZKV-CABCVRRESA-N 1 1 308.466 3.616 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(C#N)c2)cc1 ZINC001237747103 1022754652 /nfs/dbraw/zinc/75/46/52/1022754652.db2.gz ACQKWDRFJQRCOQ-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001172311569 1033078255 /nfs/dbraw/zinc/07/82/55/1033078255.db2.gz UZNIRKFLISONQW-CYBMUJFWSA-N 1 1 311.816 3.596 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H]1COCc1ccccc1 ZINC001172307993 1033079175 /nfs/dbraw/zinc/07/91/75/1033079175.db2.gz RXFRSPIMSQYEOU-UWJYYQICSA-N 1 1 320.436 3.780 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001172313469 1033081155 /nfs/dbraw/zinc/08/11/55/1033081155.db2.gz XGDMWKCLZOFMMH-UZLBHIALSA-N 1 1 318.420 3.694 20 30 DHEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2O)C2CCCCC2)n1 ZINC000876522349 1033082130 /nfs/dbraw/zinc/08/21/30/1033082130.db2.gz ONSOQOBPZSRSED-UHFFFAOYSA-N 1 1 321.424 3.994 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCC(=O)c1ccccc1 ZINC001172317179 1033085122 /nfs/dbraw/zinc/08/51/22/1033085122.db2.gz CCFLJGPNLCKNBG-INIZCTEOSA-N 1 1 306.409 3.694 20 30 DHEDMO CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000538506522 1033086459 /nfs/dbraw/zinc/08/64/59/1033086459.db2.gz CQUUEQRGCQBRHN-CRAIPNDOSA-N 1 1 317.452 3.858 20 30 DHEDMO CC(C)CN1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000538506522 1033086470 /nfs/dbraw/zinc/08/64/70/1033086470.db2.gz CQUUEQRGCQBRHN-CRAIPNDOSA-N 1 1 317.452 3.858 20 30 DHEDMO CCCOc1ccc(C[N@H+](CCC#N)CC(C)C)cc1OC ZINC000768153379 1022904577 /nfs/dbraw/zinc/90/45/77/1022904577.db2.gz FTSGGJHYMMRWSO-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO CCCOc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1OC ZINC000768153379 1022904588 /nfs/dbraw/zinc/90/45/88/1022904588.db2.gz FTSGGJHYMMRWSO-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)CC1CCC2(CC1)OCCO2 ZINC000190263382 1022911072 /nfs/dbraw/zinc/91/10/72/1022911072.db2.gz SQWMLWPDTXPNFC-UHFFFAOYSA-N 1 1 308.466 3.572 20 30 DHEDMO C=CCSc1ccccc1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617344904 1022915615 /nfs/dbraw/zinc/91/56/15/1022915615.db2.gz RMMQYZOJPBTSFN-CQSZACIVSA-N 1 1 318.486 3.567 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(CCC)s2)n1 ZINC000857042263 1022927607 /nfs/dbraw/zinc/92/76/07/1022927607.db2.gz HCZNBQZOXAWDLJ-UHFFFAOYSA-N 1 1 301.459 3.552 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(CCC)s2)n1 ZINC000857042263 1022927617 /nfs/dbraw/zinc/92/76/17/1022927617.db2.gz HCZNBQZOXAWDLJ-UHFFFAOYSA-N 1 1 301.459 3.552 20 30 DHEDMO CCCc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)s1 ZINC000857049614 1022934558 /nfs/dbraw/zinc/93/45/58/1022934558.db2.gz NBZKDCQPCOFCIK-SFHVURJKSA-N 1 1 314.454 3.738 20 30 DHEDMO CC1(C)Cc2n[nH]cc2C[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000931085425 1022976801 /nfs/dbraw/zinc/97/68/01/1022976801.db2.gz SZHHPONRBIBVJJ-UHFFFAOYSA-N 1 1 300.450 3.658 20 30 DHEDMO Cc1nc(NCCC[N@@H+]2CCCC[C@@H]2C)c(C#N)c(C)c1C ZINC001167752886 1023036982 /nfs/dbraw/zinc/03/69/82/1023036982.db2.gz YYXJDILPDFJJKF-ZDUSSCGKSA-N 1 1 300.450 3.555 20 30 DHEDMO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000695866006 1023037238 /nfs/dbraw/zinc/03/72/38/1023037238.db2.gz WZVMXZRRXOGLQB-MJGOQNOKSA-N 1 1 313.489 3.817 20 30 DHEDMO CC[N@@H+](Cc1cc2c(cc[nH]c2=O)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000876596948 1033100781 /nfs/dbraw/zinc/10/07/81/1033100781.db2.gz AHPAQWLVHYOAKB-ZDUSSCGKSA-N 1 1 321.380 3.988 20 30 DHEDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(O[C@H](C)C#N)cc2)on1 ZINC000768879949 1023046740 /nfs/dbraw/zinc/04/67/40/1023046740.db2.gz ZXXYTKSSBWMUTR-RHSMWYFYSA-N 1 1 311.385 3.611 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000660402413 1023131840 /nfs/dbraw/zinc/13/18/40/1023131840.db2.gz GPROBBVYRAKIMR-KURKYZTESA-N 1 1 319.493 3.534 20 30 DHEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759857753 1023143004 /nfs/dbraw/zinc/14/30/04/1023143004.db2.gz KEMYBZLBLJRBOD-HNNXBMFYSA-N 1 1 312.816 3.774 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759857753 1023143009 /nfs/dbraw/zinc/14/30/09/1023143009.db2.gz KEMYBZLBLJRBOD-HNNXBMFYSA-N 1 1 312.816 3.774 20 30 DHEDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000769731286 1023195647 /nfs/dbraw/zinc/19/56/47/1023195647.db2.gz WJYLOSOJRGRZKL-OAHLLOKOSA-N 1 1 323.481 3.553 20 30 DHEDMO C#C[C@H](C)[N@H+](C)Cc1cccc(Br)c1OC(F)F ZINC000769961289 1023246675 /nfs/dbraw/zinc/24/66/75/1023246675.db2.gz JOAWOKHVPIVNFM-VIFPVBQESA-N 1 1 318.161 3.504 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(Br)c1OC(F)F ZINC000769961289 1023246687 /nfs/dbraw/zinc/24/66/87/1023246687.db2.gz JOAWOKHVPIVNFM-VIFPVBQESA-N 1 1 318.161 3.504 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)CCSc1ccnc2cc(Cl)ccc21 ZINC000769962305 1023247443 /nfs/dbraw/zinc/24/74/43/1023247443.db2.gz WQTPBFTXULYCBP-LBPRGKRZSA-N 1 1 304.846 3.934 20 30 DHEDMO C#CCOc1ccccc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000770301773 1023294295 /nfs/dbraw/zinc/29/42/95/1023294295.db2.gz CBJOLECNIXJZAL-UHFFFAOYSA-N 1 1 311.347 3.863 20 30 DHEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H](CO)CC(C)(C)C ZINC000590761591 1023299737 /nfs/dbraw/zinc/29/97/37/1023299737.db2.gz UZFYZRPNIQZGCZ-KRWDZBQOSA-N 1 1 302.462 3.717 20 30 DHEDMO Cc1cccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1C ZINC000770389287 1023304349 /nfs/dbraw/zinc/30/43/49/1023304349.db2.gz FNERPJLOJXJFDB-FQEVSTJZSA-N 1 1 306.409 3.749 20 30 DHEDMO Cc1cccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1C ZINC000770389287 1023304351 /nfs/dbraw/zinc/30/43/51/1023304351.db2.gz FNERPJLOJXJFDB-FQEVSTJZSA-N 1 1 306.409 3.749 20 30 DHEDMO C=CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)C(C)C ZINC000770648698 1023338641 /nfs/dbraw/zinc/33/86/41/1023338641.db2.gz VDGVQPDECITRAC-UHFFFAOYSA-N 1 1 304.825 3.532 20 30 DHEDMO C=CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)C(C)C ZINC000770648698 1023338649 /nfs/dbraw/zinc/33/86/49/1023338649.db2.gz VDGVQPDECITRAC-UHFFFAOYSA-N 1 1 304.825 3.532 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2cc(C)n(C)n2)cc1 ZINC001167770323 1023342696 /nfs/dbraw/zinc/34/26/96/1023342696.db2.gz VPJLJNAARMLAKV-IBGZPJMESA-N 1 1 310.445 3.664 20 30 DHEDMO COc1ccc(C#N)cc1CO[NH+]=C(N)C1CCCCCC1 ZINC000770695941 1023343428 /nfs/dbraw/zinc/34/34/28/1023343428.db2.gz BOVXQSUAAKRQKG-UHFFFAOYSA-N 1 1 301.390 3.536 20 30 DHEDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2N(C)C)n1 ZINC000876739111 1033131851 /nfs/dbraw/zinc/13/18/51/1033131851.db2.gz FKUJPXYGGMASRU-FQEVSTJZSA-N 1 1 320.440 3.665 20 30 DHEDMO C=CCOc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000538719233 1033145861 /nfs/dbraw/zinc/14/58/61/1033145861.db2.gz USKMIZOMNXZRBT-MOPGFXCFSA-N 1 1 314.473 3.699 20 30 DHEDMO CCCCCCCC[N@@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000772380587 1023551559 /nfs/dbraw/zinc/55/15/59/1023551559.db2.gz YTIYGKNQGLOBOQ-KRWDZBQOSA-N 1 1 307.482 3.771 20 30 DHEDMO CCCCCCCC[N@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000772380587 1023551562 /nfs/dbraw/zinc/55/15/62/1023551562.db2.gz YTIYGKNQGLOBOQ-KRWDZBQOSA-N 1 1 307.482 3.771 20 30 DHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001172362154 1033142408 /nfs/dbraw/zinc/14/24/08/1033142408.db2.gz SSSCEZFJDHUBFV-HZPDHXFCSA-N 1 1 303.512 3.635 20 30 DHEDMO C#CC[N@@H+](Cc1ccc2c[nH]nc2c1)[C@H]1CCc2ccccc21 ZINC000772600150 1023576592 /nfs/dbraw/zinc/57/65/92/1023576592.db2.gz UWHAJPAQIFPOIG-FQEVSTJZSA-N 1 1 301.393 3.686 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000859444032 1033143705 /nfs/dbraw/zinc/14/37/05/1033143705.db2.gz AJIUEFMXLPTFHO-CQSZACIVSA-N 1 1 304.459 3.858 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccccc1Br ZINC000785997737 1023650764 /nfs/dbraw/zinc/65/07/64/1023650764.db2.gz RKUSDRIISFVNLN-DOMZBBRYSA-N 1 1 310.235 3.523 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccccc1Br ZINC000785997737 1023650767 /nfs/dbraw/zinc/65/07/67/1023650767.db2.gz RKUSDRIISFVNLN-DOMZBBRYSA-N 1 1 310.235 3.523 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000538728006 1033149475 /nfs/dbraw/zinc/14/94/75/1033149475.db2.gz NHLWSJQIWQVANK-UHFFFAOYSA-N 1 1 302.397 3.585 20 30 DHEDMO C=CCOc1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000538732406 1033153195 /nfs/dbraw/zinc/15/31/95/1033153195.db2.gz KMDRBRLCUIFIDK-NRFANRHFSA-N 1 1 323.436 3.733 20 30 DHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)C=NOCc1cccnc1 ZINC000746585819 1023694024 /nfs/dbraw/zinc/69/40/24/1023694024.db2.gz LNQKQDJOMKCIFH-UHFFFAOYSA-N 1 1 311.429 3.742 20 30 DHEDMO C[N@@H+](Cc1cc2ccccc2o1)Cc1ccc(OCC#N)cc1 ZINC000746676447 1023785931 /nfs/dbraw/zinc/78/59/31/1023785931.db2.gz WGVDQHPQIYSEHL-UHFFFAOYSA-N 1 1 306.365 3.967 20 30 DHEDMO Clc1ccc(C#CC[NH+]2CCC(c3ccon3)CC2)cc1 ZINC000662048034 1023868027 /nfs/dbraw/zinc/86/80/27/1023868027.db2.gz SPKYCNXCOLDYCK-UHFFFAOYSA-N 1 1 300.789 3.559 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cccc(Cl)c1C ZINC000662078762 1023887801 /nfs/dbraw/zinc/88/78/01/1023887801.db2.gz GBLWRDSTNGCFKV-OKILXGFUSA-N 1 1 304.821 3.770 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000662079131 1023889843 /nfs/dbraw/zinc/88/98/43/1023889843.db2.gz KLCQKVCZKXVWSS-QRQLOZEOSA-N 1 1 312.457 3.607 20 30 DHEDMO CCC#C[C@H](C)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001170085113 1023890704 /nfs/dbraw/zinc/89/07/04/1023890704.db2.gz GYEDJHDLVWDJTL-DOTOQJQBSA-N 1 1 304.503 3.612 20 30 DHEDMO CCC#C[C@H](C)[N@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC001170085113 1023890753 /nfs/dbraw/zinc/89/07/53/1023890753.db2.gz GYEDJHDLVWDJTL-DOTOQJQBSA-N 1 1 304.503 3.612 20 30 DHEDMO CCC#C[C@H](C)[N@@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC001170085113 1023890763 /nfs/dbraw/zinc/89/07/63/1023890763.db2.gz GYEDJHDLVWDJTL-DOTOQJQBSA-N 1 1 304.503 3.612 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(C)cc1Cl ZINC000662085312 1023893262 /nfs/dbraw/zinc/89/32/62/1023893262.db2.gz DAFOHRKUWVNDAF-OKILXGFUSA-N 1 1 304.821 3.770 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(C)cc1Cl ZINC000662085312 1023893263 /nfs/dbraw/zinc/89/32/63/1023893263.db2.gz DAFOHRKUWVNDAF-OKILXGFUSA-N 1 1 304.821 3.770 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000662087516 1023895325 /nfs/dbraw/zinc/89/53/25/1023895325.db2.gz BBKJKABAUMAQHI-BETUJISGSA-N 1 1 315.442 3.697 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000662087516 1023895334 /nfs/dbraw/zinc/89/53/34/1023895334.db2.gz BBKJKABAUMAQHI-BETUJISGSA-N 1 1 315.442 3.697 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000662082991 1023895671 /nfs/dbraw/zinc/89/56/71/1023895671.db2.gz ZBRXSAGEZUEPRJ-CWRNSKLLSA-N 1 1 316.470 3.919 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Br)cnc1OC ZINC000662088244 1023896534 /nfs/dbraw/zinc/89/65/34/1023896534.db2.gz BAYQXXQQDLIUNM-OKILXGFUSA-N 1 1 323.234 3.536 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)cnc1OC ZINC000662088244 1023896540 /nfs/dbraw/zinc/89/65/40/1023896540.db2.gz BAYQXXQQDLIUNM-OKILXGFUSA-N 1 1 323.234 3.536 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1OCC ZINC000662087993 1023898362 /nfs/dbraw/zinc/89/83/62/1023898362.db2.gz SCJGMZGKEJBJMN-IYBDPMFKSA-N 1 1 314.429 3.597 20 30 DHEDMO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876899947 1033178721 /nfs/dbraw/zinc/17/87/21/1033178721.db2.gz BUVMSHYEIJYJHH-LBPRGKRZSA-N 1 1 315.804 3.775 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@@H]2CC(C)C)c1=S ZINC000129623751 1024030316 /nfs/dbraw/zinc/03/03/16/1024030316.db2.gz BVQPGFQCVYMNLY-OAHLLOKOSA-N 1 1 320.506 3.945 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@@H]2CC(C)C)c1=S ZINC000129623751 1024030330 /nfs/dbraw/zinc/03/03/30/1024030330.db2.gz BVQPGFQCVYMNLY-OAHLLOKOSA-N 1 1 320.506 3.945 20 30 DHEDMO COCCCC[N@@H+](CCCSCC#N)Cc1ccccc1 ZINC000266777654 1024044021 /nfs/dbraw/zinc/04/40/21/1024044021.db2.gz WXUIMRWZYKBHCU-UHFFFAOYSA-N 1 1 306.475 3.562 20 30 DHEDMO C[N@@H+](CCCSCC#N)Cc1cccc(Br)c1 ZINC000266757098 1024044304 /nfs/dbraw/zinc/04/43/04/1024044304.db2.gz RUYZKHXUGIGWFR-UHFFFAOYSA-N 1 1 313.264 3.528 20 30 DHEDMO CCOc1ccc([C@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1 ZINC000876906891 1033180409 /nfs/dbraw/zinc/18/04/09/1033180409.db2.gz KEFFUXBLLJASPS-LBPRGKRZSA-N 1 1 315.804 3.856 20 30 DHEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+]([C@@H](CC)CC(C)C)CC2 ZINC001172397295 1033181703 /nfs/dbraw/zinc/18/17/03/1033181703.db2.gz KWWVXVKULYLXSN-PKOBYXMFSA-N 1 1 306.494 3.844 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(SCC)c2)n1 ZINC000789762011 1024157924 /nfs/dbraw/zinc/15/79/24/1024157924.db2.gz PJLHCXROPBXADB-UHFFFAOYSA-N 1 1 313.470 3.650 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)Cc2cccc(SCC)c2)n1 ZINC000789762011 1024157933 /nfs/dbraw/zinc/15/79/33/1024157933.db2.gz PJLHCXROPBXADB-UHFFFAOYSA-N 1 1 313.470 3.650 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H]2[C@@H](C)CCC)c1=S ZINC000130759262 1024213845 /nfs/dbraw/zinc/21/38/45/1024213845.db2.gz HLBIOGAFEWHGIC-ZFWWWQNUSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H]2[C@@H](C)CCC)c1=S ZINC000130759262 1024213860 /nfs/dbraw/zinc/21/38/60/1024213860.db2.gz HLBIOGAFEWHGIC-ZFWWWQNUSA-N 1 1 308.495 3.767 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(C(C)N=Nc2ncccc2C)cc1 ZINC000790193232 1024241164 /nfs/dbraw/zinc/24/11/64/1024241164.db2.gz ZICGECKNQQUURW-UHFFFAOYSA-N 1 1 305.385 3.720 20 30 DHEDMO COc1c(F)cccc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001143525485 1024252788 /nfs/dbraw/zinc/25/27/88/1024252788.db2.gz VWBLBINXFHKCKC-UHFFFAOYSA-N 1 1 324.399 3.892 20 30 DHEDMO COc1ccc(C2CC2)cc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000883258137 1024328874 /nfs/dbraw/zinc/32/88/74/1024328874.db2.gz RWTIDTLFUQEOEA-UHFFFAOYSA-N 1 1 310.372 3.873 20 30 DHEDMO Cc1ccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c(Cl)n1 ZINC000883292596 1024356934 /nfs/dbraw/zinc/35/69/34/1024356934.db2.gz SVJJEQDTVKWJHZ-ZDUSSCGKSA-N 1 1 315.804 3.624 20 30 DHEDMO C=C(Br)C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000105453904 1024383025 /nfs/dbraw/zinc/38/30/25/1024383025.db2.gz GRQRSGAZSSTQLV-UHFFFAOYSA-N 1 1 323.003 3.586 20 30 DHEDMO N#CCC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453210403 1024402750 /nfs/dbraw/zinc/40/27/50/1024402750.db2.gz JLUTZBVWNCRFRX-ZCNNSNEGSA-N 1 1 323.484 3.713 20 30 DHEDMO C=C(Br)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000131646057 1024408755 /nfs/dbraw/zinc/40/87/55/1024408755.db2.gz MDSIUKPEZSAEBD-UHFFFAOYSA-N 1 1 323.003 3.586 20 30 DHEDMO Cc1cnc(=S)n(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000131680948 1024420622 /nfs/dbraw/zinc/42/06/22/1024420622.db2.gz WYABHWPYXGJCNQ-UHFFFAOYSA-N 1 1 312.442 3.661 20 30 DHEDMO Cc1cnc(=S)n(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000131680948 1024420627 /nfs/dbraw/zinc/42/06/27/1024420627.db2.gz WYABHWPYXGJCNQ-UHFFFAOYSA-N 1 1 312.442 3.661 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000584695206 1024441672 /nfs/dbraw/zinc/44/16/72/1024441672.db2.gz SZYFPJGGTHWDJG-ROUUACIJSA-N 1 1 306.413 3.716 20 30 DHEDMO CCn1nc(C)c(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)c1C ZINC000271071134 1024452571 /nfs/dbraw/zinc/45/25/71/1024452571.db2.gz FGVALEPXCDLTRW-HNNXBMFYSA-N 1 1 310.445 3.975 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2cc[nH]c21 ZINC000271076175 1024455343 /nfs/dbraw/zinc/45/53/43/1024455343.db2.gz RQYLVAZCVNNEJP-UHFFFAOYSA-N 1 1 319.408 3.688 20 30 DHEDMO C[C@@H](c1ccc(C#N)c(F)c1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000453353575 1024479148 /nfs/dbraw/zinc/47/91/48/1024479148.db2.gz JPMBGSNBQZWUSS-SUMWQHHRSA-N 1 1 304.434 3.977 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)C1CC1 ZINC000271340959 1024493808 /nfs/dbraw/zinc/49/38/08/1024493808.db2.gz CCQMCDJYMJBCSA-UHFFFAOYSA-N 1 1 312.335 3.684 20 30 DHEDMO Cc1cccnc1[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)C(C)C ZINC000877043878 1033217094 /nfs/dbraw/zinc/21/70/94/1033217094.db2.gz QQRYPCWJXLSSHU-OAHLLOKOSA-N 1 1 314.820 3.797 20 30 DHEDMO C#CC[N@@H+](Cc1cnc2cccc(C)n12)[C@@H]1CCc2ccccc21 ZINC001137197601 1024533317 /nfs/dbraw/zinc/53/33/17/1024533317.db2.gz AYXHRLDTQQYFII-HXUWFJFHSA-N 1 1 315.420 3.765 20 30 DHEDMO C#CC[N@H+](Cc1cnc2cccc(C)n12)[C@@H]1CCc2ccccc21 ZINC001137197601 1024533326 /nfs/dbraw/zinc/53/33/26/1024533326.db2.gz AYXHRLDTQQYFII-HXUWFJFHSA-N 1 1 315.420 3.765 20 30 DHEDMO N#Cc1ccccc1C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000453624174 1024547684 /nfs/dbraw/zinc/54/76/84/1024547684.db2.gz XOOZGCVCANLIJX-HXUWFJFHSA-N 1 1 320.436 3.942 20 30 DHEDMO CC[C@H](C)C[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000111692138 1024561064 /nfs/dbraw/zinc/56/10/64/1024561064.db2.gz BLANYEOIUBYVKX-AWEZNQCLSA-N 1 1 321.852 3.565 20 30 DHEDMO C[N@@H+](Cc1ccc(Br)c(F)c1)[C@H]1CC[C@H](C#N)C1 ZINC000339126668 1024571313 /nfs/dbraw/zinc/57/13/13/1024571313.db2.gz SVVGVJHLGDYZQQ-JQWIXIFHSA-N 1 1 311.198 3.712 20 30 DHEDMO CCC[N@@H+](C)C[C@H]1CCN([C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000585719862 1024573277 /nfs/dbraw/zinc/57/32/77/1024573277.db2.gz WZYJACMKVGXBCG-RHSMWYFYSA-N 1 1 305.853 3.568 20 30 DHEDMO C[C@H](CCCC#N)[NH+]1CCC(N)(c2cccc(Cl)c2)CC1 ZINC001172488240 1033221092 /nfs/dbraw/zinc/22/10/92/1033221092.db2.gz RVYRZECFGPCJLJ-CQSZACIVSA-N 1 1 305.853 3.672 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCCC[C@@H]1CCO ZINC000585754263 1024588736 /nfs/dbraw/zinc/58/87/36/1024588736.db2.gz BVRYCAKHNCOVSD-QGZVFWFLSA-N 1 1 300.446 3.615 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)C(C)(C)c1ccccc1 ZINC000585754351 1024593854 /nfs/dbraw/zinc/59/38/54/1024593854.db2.gz JDBXUQGBZZOVDD-UHFFFAOYSA-N 1 1 324.424 3.813 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000585765615 1024605341 /nfs/dbraw/zinc/60/53/41/1024605341.db2.gz ZVOGXYMDTXYARA-IBGZPJMESA-N 1 1 316.408 3.644 20 30 DHEDMO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2F)s1 ZINC000106878477 1024606591 /nfs/dbraw/zinc/60/65/91/1024606591.db2.gz UJOSCEMUHQONIC-LLVKDONJSA-N 1 1 303.406 3.964 20 30 DHEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2F)s1 ZINC000106878477 1024606597 /nfs/dbraw/zinc/60/65/97/1024606597.db2.gz UJOSCEMUHQONIC-LLVKDONJSA-N 1 1 303.406 3.964 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCC=C(c3ccncc3)C2)c1 ZINC000348835713 1024628412 /nfs/dbraw/zinc/62/84/12/1024628412.db2.gz BABZIEGJENASOJ-UHFFFAOYSA-N 1 1 306.409 3.936 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(N[C@H]2CC[C@H](C#N)CC2)nc1 ZINC001167842046 1024666991 /nfs/dbraw/zinc/66/69/91/1024666991.db2.gz CVKLMNVIZYUILM-BQFCYCMXSA-N 1 1 312.461 3.950 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H](C)O ZINC000107042046 1024674897 /nfs/dbraw/zinc/67/48/97/1024674897.db2.gz XUCVAZSEJMBFPU-INIZCTEOSA-N 1 1 308.425 3.816 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001172499494 1033228251 /nfs/dbraw/zinc/22/82/51/1033228251.db2.gz DNZOZUKKUBLEMN-QUCCMNQESA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001172499494 1033228256 /nfs/dbraw/zinc/22/82/56/1033228256.db2.gz DNZOZUKKUBLEMN-QUCCMNQESA-N 1 1 311.473 3.667 20 30 DHEDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)C12CCC2 ZINC001170325426 1024744200 /nfs/dbraw/zinc/74/42/00/1024744200.db2.gz ZZQVJWUJLGUAMM-JKSUJKDBSA-N 1 1 304.821 3.601 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001170332112 1024745843 /nfs/dbraw/zinc/74/58/43/1024745843.db2.gz CWADIYNZTJQEKQ-IRXDYDNUSA-N 1 1 322.493 3.922 20 30 DHEDMO C=CCCCC[N@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170352829 1024749113 /nfs/dbraw/zinc/74/91/13/1024749113.db2.gz RHPSZGWCFFXHQK-AWEZNQCLSA-N 1 1 306.406 3.823 20 30 DHEDMO CCCC[N@H+](CCC#N)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170343139 1024756748 /nfs/dbraw/zinc/75/67/48/1024756748.db2.gz NXEMAPYPVFVPEE-CQSZACIVSA-N 1 1 319.405 3.550 20 30 DHEDMO CCCC[N@@H+](CCC#N)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170343139 1024756757 /nfs/dbraw/zinc/75/67/57/1024756757.db2.gz NXEMAPYPVFVPEE-CQSZACIVSA-N 1 1 319.405 3.550 20 30 DHEDMO CCO[C@H]1CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170386278 1024759238 /nfs/dbraw/zinc/75/92/38/1024759238.db2.gz CWMZOTQJIWXANS-GPJFCIFZSA-N 1 1 312.457 3.891 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCCCC23COC3)CC1 ZINC001170389410 1024760908 /nfs/dbraw/zinc/76/09/08/1024760908.db2.gz RDQKIZFYSCVHDX-UHFFFAOYSA-N 1 1 310.441 3.645 20 30 DHEDMO CO[C@H]1CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170389697 1024761471 /nfs/dbraw/zinc/76/14/71/1024761471.db2.gz ZMTXEXSKEKBBGP-GPJFCIFZSA-N 1 1 312.457 3.891 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC001170379297 1024767179 /nfs/dbraw/zinc/76/71/79/1024767179.db2.gz VLCKEGOGGGFUFU-IOJLRTSASA-N 1 1 310.441 3.503 20 30 DHEDMO CC[N@@H+]([C@@H](C)CCCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172506965 1033235916 /nfs/dbraw/zinc/23/59/16/1033235916.db2.gz MSAFSTKFZOPIOR-HNNXBMFYSA-N 1 1 323.481 3.790 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931911072 1024826580 /nfs/dbraw/zinc/82/65/80/1024826580.db2.gz KGXIZIUPFNAKDG-CQSZACIVSA-N 1 1 312.310 3.619 20 30 DHEDMO C[C@@]12CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]1C2(Cl)Cl ZINC000792903802 1024830688 /nfs/dbraw/zinc/83/06/88/1024830688.db2.gz KEWMVSXZTQTHIZ-UONOGXRCSA-N 1 1 313.203 3.713 20 30 DHEDMO C[C@@]12CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]1C2(Cl)Cl ZINC000792903802 1024830709 /nfs/dbraw/zinc/83/07/09/1024830709.db2.gz KEWMVSXZTQTHIZ-UONOGXRCSA-N 1 1 313.203 3.713 20 30 DHEDMO CCCCCCC[C@H](C)C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001274928429 1024875445 /nfs/dbraw/zinc/87/54/45/1024875445.db2.gz HHIAEZLURSKEPD-HKUYNNGSSA-N 1 1 308.510 3.927 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2C[C@H](C)CCC=C(C)C)C1=O ZINC001275067537 1024898016 /nfs/dbraw/zinc/89/80/16/1024898016.db2.gz YETPUUBDTGBLSQ-MJGOQNOKSA-N 1 1 304.478 3.622 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CCCCCCCC)C1=O ZINC001275114712 1024922040 /nfs/dbraw/zinc/92/20/40/1024922040.db2.gz OJMKJVYOZBVYPO-IBGZPJMESA-N 1 1 306.494 3.990 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2cccnc2F)cc1Cl ZINC000793286472 1024973801 /nfs/dbraw/zinc/97/38/01/1024973801.db2.gz WNUOOLXGKUJSIP-UHFFFAOYSA-N 1 1 306.768 3.729 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cn(C)nc1C(F)F)Cc1ccccc1 ZINC000279324173 1024996568 /nfs/dbraw/zinc/99/65/68/1024996568.db2.gz OJCJTXJKCPWDAY-UHFFFAOYSA-N 1 1 305.372 3.936 20 30 DHEDMO C=C(C)C[N@H+](Cc1cn(C)nc1C(F)F)Cc1ccccc1 ZINC000279324173 1024996593 /nfs/dbraw/zinc/99/65/93/1024996593.db2.gz OJCJTXJKCPWDAY-UHFFFAOYSA-N 1 1 305.372 3.936 20 30 DHEDMO CCc1ccc([C@@H](COC)[NH2+][C@@H]2CCc3ccc(C#N)cc32)o1 ZINC000353246169 1024997695 /nfs/dbraw/zinc/99/76/95/1024997695.db2.gz YWZYAZNTAYQODG-QZTJIDSGSA-N 1 1 310.397 3.678 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(CC(F)F)c1)Cc1ccccc1 ZINC000353263735 1025003328 /nfs/dbraw/zinc/00/33/28/1025003328.db2.gz VVGSEQSFVWQPFX-UHFFFAOYSA-N 1 1 305.372 3.727 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)CC(C)(C)C#N)cc1)C(C)C ZINC000353291551 1025016257 /nfs/dbraw/zinc/01/62/57/1025016257.db2.gz JBBAHVMRYUSDHX-UHFFFAOYSA-N 1 1 315.461 3.539 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1cc2c(c(OC)c1)OCO2 ZINC000353433640 1025063624 /nfs/dbraw/zinc/06/36/24/1025063624.db2.gz HGVLZJBRQMQWPS-UHFFFAOYSA-N 1 1 318.417 3.576 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cc2c(c(OC)c1)OCO2 ZINC000353433640 1025063637 /nfs/dbraw/zinc/06/36/37/1025063637.db2.gz HGVLZJBRQMQWPS-UHFFFAOYSA-N 1 1 318.417 3.576 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@@H](C)c1cc(C)nn1C)c1ccc(F)c(F)c1 ZINC000793558056 1025102043 /nfs/dbraw/zinc/10/20/43/1025102043.db2.gz QZRZPTXAUTWFJV-SJCJKPOMSA-N 1 1 305.372 3.975 20 30 DHEDMO C[NH+](C)C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000353598926 1025146004 /nfs/dbraw/zinc/14/60/04/1025146004.db2.gz VIJMYASAKKDOMI-UXHICEINSA-N 1 1 323.415 3.577 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1cccc(C#N)c1 ZINC001168193577 1025171884 /nfs/dbraw/zinc/17/18/84/1025171884.db2.gz RQYWSOOQNDDDNN-ROUUACIJSA-N 1 1 319.452 3.653 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)c(F)c1 ZINC000353652249 1025176935 /nfs/dbraw/zinc/17/69/35/1025176935.db2.gz JBIHZZIZGIUMJJ-SFHVURJKSA-N 1 1 322.383 3.935 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CC(=O)c2ccccc2)c(F)c1 ZINC000353652249 1025176939 /nfs/dbraw/zinc/17/69/39/1025176939.db2.gz JBIHZZIZGIUMJJ-SFHVURJKSA-N 1 1 322.383 3.935 20 30 DHEDMO COc1cc(C[NH2+][C@H](C)c2cc(F)ccc2F)ccc1C#N ZINC000353653436 1025178571 /nfs/dbraw/zinc/17/85/71/1025178571.db2.gz CBIDCOARZBDSAR-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO CC#CCCCCCCCC(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC001274163416 1033264670 /nfs/dbraw/zinc/26/46/70/1033264670.db2.gz GYALOGLTRLEQRJ-UHFFFAOYSA-N 1 1 318.505 3.685 20 30 DHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001167889383 1025190522 /nfs/dbraw/zinc/19/05/22/1025190522.db2.gz LEEWNYQUPMQXRD-ZBFHGGJFSA-N 1 1 312.413 3.592 20 30 DHEDMO Cc1sc(C[NH+]2CCC(C)(C#N)CC2)cc1Br ZINC000877181337 1033265403 /nfs/dbraw/zinc/26/54/03/1033265403.db2.gz ANRIHZAXSVOYNP-UHFFFAOYSA-N 1 1 313.264 3.945 20 30 DHEDMO COCCCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000052798064 1025230566 /nfs/dbraw/zinc/23/05/66/1025230566.db2.gz XZDAPSWELHYOOQ-UHFFFAOYSA-N 1 1 308.425 3.987 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000052866146 1025237768 /nfs/dbraw/zinc/23/77/68/1025237768.db2.gz YFFSEMVYNGQADV-IBGZPJMESA-N 1 1 324.399 3.879 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000052866146 1025237774 /nfs/dbraw/zinc/23/77/74/1025237774.db2.gz YFFSEMVYNGQADV-IBGZPJMESA-N 1 1 324.399 3.879 20 30 DHEDMO N#Cc1cc(C[NH2+][C@@H](c2ccccc2)c2cccc(F)c2)ccn1 ZINC000610956840 1025250670 /nfs/dbraw/zinc/25/06/70/1025250670.db2.gz OFJXXOJKFXUZAM-FQEVSTJZSA-N 1 1 317.367 3.972 20 30 DHEDMO CC[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)C1CCC1 ZINC000353799676 1025251413 /nfs/dbraw/zinc/25/14/13/1025251413.db2.gz BJYCYPKHDJYMID-UHFFFAOYSA-N 1 1 302.418 3.752 20 30 DHEDMO Cc1ccc(CCC[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000353822373 1025257564 /nfs/dbraw/zinc/25/75/64/1025257564.db2.gz DZBVGPHNSMQGBY-UHFFFAOYSA-N 1 1 317.436 3.984 20 30 DHEDMO C[C@H]1C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1C ZINC001168202047 1025265217 /nfs/dbraw/zinc/26/52/17/1025265217.db2.gz QEKKCBKKBSIYTB-KBPBESRZSA-N 1 1 311.347 3.915 20 30 DHEDMO CCC[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CCc2ccccc2C1 ZINC000610992002 1025279225 /nfs/dbraw/zinc/27/92/25/1025279225.db2.gz YVRADNLYWFNLIE-FQEVSTJZSA-N 1 1 305.425 3.723 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCC(C)CC1)[C@H]2CC ZINC001168212855 1025326827 /nfs/dbraw/zinc/32/68/27/1025326827.db2.gz SBMHOUWSZJTTMI-BZWMRVRASA-N 1 1 318.505 3.987 20 30 DHEDMO Cc1[nH+]c2cc(Nc3nc(Cl)c(C#N)s3)ccc2n1C ZINC000804527719 1025337901 /nfs/dbraw/zinc/33/79/01/1025337901.db2.gz RZHKSLOBXBHUIB-UHFFFAOYSA-N 1 1 303.778 3.607 20 30 DHEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Br)cc1 ZINC000032514529 1025363946 /nfs/dbraw/zinc/36/39/46/1025363946.db2.gz VMZRRRRSWOMPNW-VXGBXAGGSA-N 1 1 306.207 3.543 20 30 DHEDMO O=C1C=C2C[N@@H+]([C@@H]3CCC[C@@H](c4ccccc4)C3)CCC2S1 ZINC001172541681 1033276197 /nfs/dbraw/zinc/27/61/97/1033276197.db2.gz RCJFSZNJVUGKQR-NXHRZFHOSA-N 1 1 313.466 3.987 20 30 DHEDMO CC[N@H+](Cc1ccccc1Cl)C[C@H](O)CC1(C#N)CCC1 ZINC000885951446 1025417230 /nfs/dbraw/zinc/41/72/30/1025417230.db2.gz IQRFXBNJDINZKQ-OAHLLOKOSA-N 1 1 306.837 3.607 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCc2ccccc2[C@H]1C ZINC000354377378 1025418215 /nfs/dbraw/zinc/41/82/15/1025418215.db2.gz BPKHPVQKYKINSY-OAHLLOKOSA-N 1 1 322.408 3.565 20 30 DHEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885961175 1025418987 /nfs/dbraw/zinc/41/89/87/1025418987.db2.gz URJWJEASUKXFPN-XJKSGUPXSA-N 1 1 306.837 3.778 20 30 DHEDMO C[N@H+](Cc1cccc2ccccc21)C[C@H](O)CC1(C#N)CCC1 ZINC000885958916 1025419373 /nfs/dbraw/zinc/41/93/73/1025419373.db2.gz OONRTQPEPGAQTQ-GOSISDBHSA-N 1 1 308.425 3.716 20 30 DHEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885961173 1025420000 /nfs/dbraw/zinc/42/00/00/1025420000.db2.gz URJWJEASUKXFPN-CJNGLKHVSA-N 1 1 306.837 3.778 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2CCc2ccccc2)CCC1 ZINC000885959322 1025420202 /nfs/dbraw/zinc/42/02/02/1025420202.db2.gz YGXPIHPWZCXZPE-OALUTQOASA-N 1 1 312.457 3.528 20 30 DHEDMO CC[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@H](C)c1ccc(F)cc1 ZINC000885964747 1025422131 /nfs/dbraw/zinc/42/21/31/1025422131.db2.gz FMXRXEXKLASAOV-PBHICJAKSA-N 1 1 304.409 3.653 20 30 DHEDMO C=CCCCCC[N@H+]1CCC[C@]12CCN(C1CCCC1)C2=O ZINC001275324071 1025424954 /nfs/dbraw/zinc/42/49/54/1025424954.db2.gz FOHJZGKXNPOEOZ-LJQANCHMSA-N 1 1 304.478 3.742 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](c3ccccc3)CC2)CCC1 ZINC000885983630 1025426688 /nfs/dbraw/zinc/42/66/88/1025426688.db2.gz KYNMKLXTVQVXNG-RBUKOAKNSA-N 1 1 312.457 3.701 20 30 DHEDMO C=CCCCCC[N@H+]1CCC[C@@]12CCN(CC1CCCC1)C2=O ZINC001275328863 1025437073 /nfs/dbraw/zinc/43/70/73/1025437073.db2.gz FBXDOAKHUDHLDE-FQEVSTJZSA-N 1 1 318.505 3.990 20 30 DHEDMO C=CCCCCCC[N@@H+]1CC[C@@]2(CCN(CCCC)C2=O)C1 ZINC001275329250 1025440354 /nfs/dbraw/zinc/44/03/54/1025440354.db2.gz QPQFDHRESVWRCI-LJQANCHMSA-N 1 1 306.494 3.847 20 30 DHEDMO Cc1nc(CC[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cs1 ZINC000124789906 1025446666 /nfs/dbraw/zinc/44/66/66/1025446666.db2.gz MXZSMAPMRTVXJG-ROUUACIJSA-N 1 1 311.454 3.766 20 30 DHEDMO Cc1nc(CC[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cs1 ZINC000124789906 1025446669 /nfs/dbraw/zinc/44/66/69/1025446669.db2.gz MXZSMAPMRTVXJG-ROUUACIJSA-N 1 1 311.454 3.766 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)C1 ZINC000932191533 1025455654 /nfs/dbraw/zinc/45/56/54/1025455654.db2.gz MLXLYKKMIQIERX-RDBSUJKOSA-N 1 1 301.459 3.503 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCCOc2ccccc2)cc1 ZINC000091899269 1025458066 /nfs/dbraw/zinc/45/80/66/1025458066.db2.gz UVEKREKBFCENIB-KRWDZBQOSA-N 1 1 324.424 3.878 20 30 DHEDMO C=CCCC1(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000354589295 1025462520 /nfs/dbraw/zinc/46/25/20/1025462520.db2.gz BMJVIBDFMVUTPQ-CALCHBBNSA-N 1 1 306.494 3.607 20 30 DHEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1cccc2cccnc21 ZINC001137119371 1033285239 /nfs/dbraw/zinc/28/52/39/1033285239.db2.gz JUCHMDQJVILIBD-UHFFFAOYSA-N 1 1 317.392 3.769 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1cc(C)ccc1OC ZINC000150895637 1025483009 /nfs/dbraw/zinc/48/30/09/1025483009.db2.gz ZNMBZAJSPQISKN-UHFFFAOYSA-N 1 1 304.434 3.620 20 30 DHEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)C12CC3CC(CC(C3)C1)C2 ZINC001137119329 1033286341 /nfs/dbraw/zinc/28/63/41/1033286341.db2.gz HIMWDXSHTDVTKL-UHFFFAOYSA-N 1 1 310.441 3.990 20 30 DHEDMO C=CCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000860036055 1033287937 /nfs/dbraw/zinc/28/79/37/1033287937.db2.gz GCQBEWYGVNDWOZ-NXOAAHMSSA-N 1 1 320.477 3.530 20 30 DHEDMO CC(C)[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@@H](C)c1ccccc1 ZINC000886215492 1025561378 /nfs/dbraw/zinc/56/13/78/1025561378.db2.gz KYWGWVGMCMHGTE-WMZOPIPTSA-N 1 1 300.446 3.903 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)CCC1 ZINC000886236906 1025567452 /nfs/dbraw/zinc/56/74/52/1025567452.db2.gz RFERQQUUKMKURM-RHSMWYFYSA-N 1 1 320.383 3.547 20 30 DHEDMO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886252030 1025570267 /nfs/dbraw/zinc/57/02/67/1025570267.db2.gz RNYABPUXSOSNJM-QZTJIDSGSA-N 1 1 312.457 3.699 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)CCC1 ZINC000886266004 1025573736 /nfs/dbraw/zinc/57/37/36/1025573736.db2.gz WYTGMWVBGBPUEO-RTBURBONSA-N 1 1 322.452 3.825 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000886353188 1025600784 /nfs/dbraw/zinc/60/07/84/1025600784.db2.gz DCLLZDPSUKAEDT-CYBMUJFWSA-N 1 1 300.789 3.840 20 30 DHEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000886355278 1025603422 /nfs/dbraw/zinc/60/34/22/1025603422.db2.gz FVEDYSIEOVCLIR-OLZOCXBDSA-N 1 1 315.804 3.796 20 30 DHEDMO Cn1nccc1C[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000348383740 1025628985 /nfs/dbraw/zinc/62/89/85/1025628985.db2.gz ZLHXZVGZYBAAJG-UHFFFAOYSA-N 1 1 316.408 3.591 20 30 DHEDMO Cn1nccc1C[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000348383740 1025628992 /nfs/dbraw/zinc/62/89/92/1025628992.db2.gz ZLHXZVGZYBAAJG-UHFFFAOYSA-N 1 1 316.408 3.591 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000355260970 1025658368 /nfs/dbraw/zinc/65/83/68/1025658368.db2.gz ABJOMWKLKIRVRP-MRXNPFEDSA-N 1 1 319.408 3.573 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000355260970 1025658380 /nfs/dbraw/zinc/65/83/80/1025658380.db2.gz ABJOMWKLKIRVRP-MRXNPFEDSA-N 1 1 319.408 3.573 20 30 DHEDMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000805763316 1025676695 /nfs/dbraw/zinc/67/66/95/1025676695.db2.gz YFFQRAMFXUTTRE-MRXNPFEDSA-N 1 1 323.481 3.649 20 30 DHEDMO COC(=O)c1cncc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000886553881 1025698082 /nfs/dbraw/zinc/69/80/82/1025698082.db2.gz XLWMBJWDEIKDQQ-KBXCAEBGSA-N 1 1 323.396 3.564 20 30 DHEDMO Cn1cc(C[N@H+]2CCCC[C@H]2Cc2ccc(F)cc2)cc1C#N ZINC000573628902 1025737376 /nfs/dbraw/zinc/73/73/76/1025737376.db2.gz IKWXVBODZSNXSL-SFHVURJKSA-N 1 1 311.404 3.633 20 30 DHEDMO C=CCCC(C)(C)NC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000663866100 1025752278 /nfs/dbraw/zinc/75/22/78/1025752278.db2.gz DNGLXQSKGZZXRL-UHFFFAOYSA-N 1 1 317.477 3.682 20 30 DHEDMO CCCCC[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000486801329 1025765124 /nfs/dbraw/zinc/76/51/24/1025765124.db2.gz QTVNXTHBEHQAOC-KRWDZBQOSA-N 1 1 313.445 3.932 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000353305773 1025783816 /nfs/dbraw/zinc/78/38/16/1025783816.db2.gz DSBWIGLUGXHQCC-UHFFFAOYSA-N 1 1 313.489 3.913 20 30 DHEDMO Cc1ccc([C@H]2CSCC[N@H+]2CCCSCC#N)cc1 ZINC000074991064 1025832128 /nfs/dbraw/zinc/83/21/28/1025832128.db2.gz MKMQWSGJKGHVEF-MRXNPFEDSA-N 1 1 306.500 3.732 20 30 DHEDMO C[N@@H+](CCCSCC#N)Cc1ccccc1C(F)(F)F ZINC000074980932 1025832329 /nfs/dbraw/zinc/83/23/29/1025832329.db2.gz NBTWBJVWWVALLL-UHFFFAOYSA-N 1 1 302.365 3.784 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2nc(-c3ccsc3)oc2C)CC1 ZINC000886763887 1025882498 /nfs/dbraw/zinc/88/24/98/1025882498.db2.gz GZXAQFNECLIGLK-UHFFFAOYSA-N 1 1 318.442 3.615 20 30 DHEDMO C[C@@H]1CCN(Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000354008987 1025924199 /nfs/dbraw/zinc/92/41/99/1025924199.db2.gz GMBSIMJEWIIUHG-GOSISDBHSA-N 1 1 319.452 3.655 20 30 DHEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411339406 1025961566 /nfs/dbraw/zinc/96/15/66/1025961566.db2.gz YYWYRMSMPBXMDP-OAHLLOKOSA-N 1 1 306.450 3.657 20 30 DHEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411339406 1025961577 /nfs/dbraw/zinc/96/15/77/1025961577.db2.gz YYWYRMSMPBXMDP-OAHLLOKOSA-N 1 1 306.450 3.657 20 30 DHEDMO Cc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)n1 ZINC000356139561 1025963480 /nfs/dbraw/zinc/96/34/80/1025963480.db2.gz STRYBZPLFGLJLX-UHFFFAOYSA-N 1 1 319.330 3.913 20 30 DHEDMO Cc1cccc(C[N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)n1 ZINC000356139561 1025963501 /nfs/dbraw/zinc/96/35/01/1025963501.db2.gz STRYBZPLFGLJLX-UHFFFAOYSA-N 1 1 319.330 3.913 20 30 DHEDMO CCC[N@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(C#N)cc1 ZINC000015484138 1026021292 /nfs/dbraw/zinc/02/12/92/1026021292.db2.gz PKSCQURKCMQVCL-UHFFFAOYSA-N 1 1 322.368 3.613 20 30 DHEDMO CCC[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(C#N)cc1 ZINC000015484138 1026021311 /nfs/dbraw/zinc/02/13/11/1026021311.db2.gz PKSCQURKCMQVCL-UHFFFAOYSA-N 1 1 322.368 3.613 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CC2(O)CCCCC2)o1 ZINC000887034445 1026022303 /nfs/dbraw/zinc/02/23/03/1026022303.db2.gz VQOPXCBUXREWQS-HNNXBMFYSA-N 1 1 302.418 3.591 20 30 DHEDMO C=CCCCCCCNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000807572928 1026083641 /nfs/dbraw/zinc/08/36/41/1026083641.db2.gz UCINDPOEZCGWHO-UHFFFAOYSA-N 1 1 323.525 3.885 20 30 DHEDMO N#C[C@@H]1C[N@@H+]([C@H]2C[C@H]2c2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000411760223 1026093714 /nfs/dbraw/zinc/09/37/14/1026093714.db2.gz RLSXXJZWQNCHRH-GTAWCEEGSA-N 1 1 306.384 3.921 20 30 DHEDMO N#C[C@@H]1C[N@H+]([C@H]2C[C@H]2c2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000411760223 1026093730 /nfs/dbraw/zinc/09/37/30/1026093730.db2.gz RLSXXJZWQNCHRH-GTAWCEEGSA-N 1 1 306.384 3.921 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1OC ZINC000091974428 1026107501 /nfs/dbraw/zinc/10/75/01/1026107501.db2.gz FIQAYFYKWTTXQI-UHFFFAOYSA-N 1 1 313.397 3.598 20 30 DHEDMO C=CC[N@@H+](Cc1c(C)nn(CC)c1C)Cc1cccc(C#N)c1 ZINC000092504369 1026112497 /nfs/dbraw/zinc/11/24/97/1026112497.db2.gz KFMBITXYTYRTSG-UHFFFAOYSA-N 1 1 308.429 3.580 20 30 DHEDMO C=CC[N@H+](Cc1c(C)nn(CC)c1C)Cc1cccc(C#N)c1 ZINC000092504369 1026112504 /nfs/dbraw/zinc/11/25/04/1026112504.db2.gz KFMBITXYTYRTSG-UHFFFAOYSA-N 1 1 308.429 3.580 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@@H+](CCC3CCCCC3)CC2)C1=O ZINC001275500389 1026143691 /nfs/dbraw/zinc/14/36/91/1026143691.db2.gz GBRJERCPHOOHAN-FQEVSTJZSA-N 1 1 318.505 3.847 20 30 DHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNCc2ccc(C#N)cc2F)C1 ZINC000532986855 1026164926 /nfs/dbraw/zinc/16/49/26/1026164926.db2.gz DSJQZPIUSPMGIX-OAHLLOKOSA-N 1 1 317.452 3.688 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]2CCC2CCCCC2)C1=O ZINC001275501054 1026166330 /nfs/dbraw/zinc/16/63/30/1026166330.db2.gz YPBLKSBTDWEJBS-IBGZPJMESA-N 1 1 304.478 3.600 20 30 DHEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)[C@H]1CCOC(C)(C)C1 ZINC000289849320 1026197966 /nfs/dbraw/zinc/19/79/66/1026197966.db2.gz PQSYSYPNXJZFJO-KRWDZBQOSA-N 1 1 316.445 3.607 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1C ZINC000245774658 1026209481 /nfs/dbraw/zinc/20/94/81/1026209481.db2.gz SLPBAYXAEILNMN-DLBZAZTESA-N 1 1 322.456 3.942 20 30 DHEDMO CCCCC(N)=[NH+]OCc1ccc(Br)cc1C#N ZINC000808254728 1026238852 /nfs/dbraw/zinc/23/88/52/1026238852.db2.gz NLZDVOJNJSOVMD-UHFFFAOYSA-N 1 1 310.195 3.509 20 30 DHEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(C#N)nc1 ZINC000398012588 1026286510 /nfs/dbraw/zinc/28/65/10/1026286510.db2.gz DQAYQQWZUCLLRW-LJQANCHMSA-N 1 1 308.429 3.522 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(C#N)cc1 ZINC000398007412 1026287082 /nfs/dbraw/zinc/28/70/82/1026287082.db2.gz BOKBQRVDOJQRLA-UZLBHIALSA-N 1 1 305.425 3.881 20 30 DHEDMO C#CC[N@H+](CC[C@H](O)c1ccccc1)[C@H]1CCc2ccccc21 ZINC000808711382 1026359888 /nfs/dbraw/zinc/35/98/88/1026359888.db2.gz FKGNQYUKRQQNGJ-SFTDATJTSA-N 1 1 305.421 3.733 20 30 DHEDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(OCC#N)cc2)cc1 ZINC000729266820 1026405002 /nfs/dbraw/zinc/40/50/02/1026405002.db2.gz JLJXSHOKNUAFBN-UHFFFAOYSA-N 1 1 310.397 3.620 20 30 DHEDMO C[C@H](c1ccsc1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000614461693 1026437328 /nfs/dbraw/zinc/43/73/28/1026437328.db2.gz GGVQOBGIXNDNFN-QAPCUYQASA-N 1 1 311.454 3.692 20 30 DHEDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C[C@H](O)CC#N)C1CC1 ZINC000809573216 1026552410 /nfs/dbraw/zinc/55/24/10/1026552410.db2.gz DZIUEZGAHPSWTK-IAQYHMDHSA-N 1 1 312.335 3.505 20 30 DHEDMO C[C@H](C#N)C[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809548434 1026556834 /nfs/dbraw/zinc/55/68/34/1026556834.db2.gz CSGNXTCPSYYLHM-QGZVFWFLSA-N 1 1 319.452 3.841 20 30 DHEDMO C[C@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809548434 1026556842 /nfs/dbraw/zinc/55/68/42/1026556842.db2.gz CSGNXTCPSYYLHM-QGZVFWFLSA-N 1 1 319.452 3.841 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000809583057 1026568405 /nfs/dbraw/zinc/56/84/05/1026568405.db2.gz HSEWDTWFSSWYKK-OAQYLSRUSA-N 1 1 305.421 3.707 20 30 DHEDMO C#Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000809624080 1026574661 /nfs/dbraw/zinc/57/46/61/1026574661.db2.gz GEWQIDCPKSKEDS-PGRDOPGGSA-N 1 1 318.464 3.668 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809717685 1026603711 /nfs/dbraw/zinc/60/37/11/1026603711.db2.gz MGXJJOQCAFDOEU-QGZVFWFLSA-N 1 1 304.393 3.613 20 30 DHEDMO COc1cc(Cl)ccc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000280241890 1026614916 /nfs/dbraw/zinc/61/49/16/1026614916.db2.gz NKGATJZDVWRMTA-UHFFFAOYSA-N 1 1 312.800 3.999 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccccc2N(C)C)cc1 ZINC000809787534 1026625818 /nfs/dbraw/zinc/62/58/18/1026625818.db2.gz HGNNZZFYAJPFGN-MRXNPFEDSA-N 1 1 323.440 3.675 20 30 DHEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCOC(C)(C)C1 ZINC000810042686 1026667251 /nfs/dbraw/zinc/66/72/51/1026667251.db2.gz FDTQXBQMYCNOSR-KRWDZBQOSA-N 1 1 316.445 3.607 20 30 DHEDMO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000183194700 1026704104 /nfs/dbraw/zinc/70/41/04/1026704104.db2.gz MJHMJZXQVUUCMM-TXPKVOOTSA-N 1 1 311.473 3.862 20 30 DHEDMO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000183194700 1026704113 /nfs/dbraw/zinc/70/41/13/1026704113.db2.gz MJHMJZXQVUUCMM-TXPKVOOTSA-N 1 1 311.473 3.862 20 30 DHEDMO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000183194700 1026704121 /nfs/dbraw/zinc/70/41/21/1026704121.db2.gz MJHMJZXQVUUCMM-TXPKVOOTSA-N 1 1 311.473 3.862 20 30 DHEDMO C=CC1(CC(=O)N2CC[N@@H+](C)Cc3ccccc32)CCCCC1 ZINC001132319936 1026776200 /nfs/dbraw/zinc/77/62/00/1026776200.db2.gz JKLVZYKQBWIQER-UHFFFAOYSA-N 1 1 312.457 3.992 20 30 DHEDMO C=CC1(CC(=O)N2CC[N@H+](C)Cc3ccccc32)CCCCC1 ZINC001132319936 1026776208 /nfs/dbraw/zinc/77/62/08/1026776208.db2.gz JKLVZYKQBWIQER-UHFFFAOYSA-N 1 1 312.457 3.992 20 30 DHEDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1CCCSCC#N ZINC000420924367 1026878540 /nfs/dbraw/zinc/87/85/40/1026878540.db2.gz JUKTUEROPRKDAZ-QGZVFWFLSA-N 1 1 306.450 3.870 20 30 DHEDMO N#Cc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc1F ZINC000421321891 1026953381 /nfs/dbraw/zinc/95/33/81/1026953381.db2.gz CPFLLBBHJPMPOS-UHFFFAOYSA-N 1 1 323.415 3.583 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1nc(-c2ccncc2)cs1 ZINC000124035937 1026953805 /nfs/dbraw/zinc/95/38/05/1026953805.db2.gz WUBUWQRMQIYESU-CYBMUJFWSA-N 1 1 320.421 3.928 20 30 DHEDMO Cc1nn(C(C)C)cc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000366974131 1027005563 /nfs/dbraw/zinc/00/55/63/1027005563.db2.gz QKPSCKFENRMYMG-UHFFFAOYSA-N 1 1 320.440 3.933 20 30 DHEDMO CC(C)C[C@H](C[N@H+](C[C@H](C)C#N)C1CC1)NC(=O)OC(C)(C)C ZINC000811465830 1027007138 /nfs/dbraw/zinc/00/71/38/1027007138.db2.gz OUTLFPPAUVQHKL-HUUCEWRRSA-N 1 1 323.481 3.550 20 30 DHEDMO CC(C)C[C@H](C[N@@H+](C[C@H](C)C#N)C1CC1)NC(=O)OC(C)(C)C ZINC000811465830 1027007142 /nfs/dbraw/zinc/00/71/42/1027007142.db2.gz OUTLFPPAUVQHKL-HUUCEWRRSA-N 1 1 323.481 3.550 20 30 DHEDMO C[C@H]1C(N=Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000811637768 1027046580 /nfs/dbraw/zinc/04/65/80/1027046580.db2.gz KFKKLLDHPFAXMG-HNNXBMFYSA-N 1 1 304.397 3.621 20 30 DHEDMO C=CCCCC(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001133034701 1027094226 /nfs/dbraw/zinc/09/42/26/1027094226.db2.gz BSVBIXRXYDVMRY-IBGZPJMESA-N 1 1 314.473 3.856 20 30 DHEDMO N#CCCCC[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000362260961 1027117384 /nfs/dbraw/zinc/11/73/84/1027117384.db2.gz CKELUQXARYFEIK-UHFFFAOYSA-N 1 1 316.445 3.630 20 30 DHEDMO C=CCCCCCCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000811887939 1027122727 /nfs/dbraw/zinc/12/27/27/1027122727.db2.gz SHAJGWRKADYOEZ-AYHJJNSGSA-N 1 1 321.509 3.828 20 30 DHEDMO COc1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1C ZINC000561983323 1027158479 /nfs/dbraw/zinc/15/84/79/1027158479.db2.gz UAVDUEPUZIMNEO-UHFFFAOYSA-N 1 1 324.424 3.524 20 30 DHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)CCOc2ccc(C#N)cc2)C1 ZINC000362383742 1027173407 /nfs/dbraw/zinc/17/34/07/1027173407.db2.gz AHAOMWULHSGSTI-RDJZCZTQSA-N 1 1 304.459 3.543 20 30 DHEDMO CC(C)(C)[C@H]1CSCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000931593282 1027181540 /nfs/dbraw/zinc/18/15/40/1027181540.db2.gz WHEBQXRQRGQSFP-OAHLLOKOSA-N 1 1 310.507 3.550 20 30 DHEDMO Cc1cccc(C(C)C)c1N[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000812233106 1027216007 /nfs/dbraw/zinc/21/60/07/1027216007.db2.gz RNTAUPZBRQGAMW-UHFFFAOYSA-N 1 1 323.444 3.955 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)C1CC1 ZINC000273507304 1027249747 /nfs/dbraw/zinc/24/97/47/1027249747.db2.gz QHGMCULNQSZMEF-UHFFFAOYSA-N 1 1 300.402 3.528 20 30 DHEDMO C[N@@H+](CCC(C)(C)C#N)Cc1ccc(Br)s1 ZINC000157412542 1027295897 /nfs/dbraw/zinc/29/58/97/1027295897.db2.gz NTOLMPKPBMCQOU-UHFFFAOYSA-N 1 1 301.253 3.882 20 30 DHEDMO C=CCCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000812495490 1027302665 /nfs/dbraw/zinc/30/26/65/1027302665.db2.gz PYRZSQKVWFGGPF-MSOLQXFVSA-N 1 1 323.525 3.885 20 30 DHEDMO Fc1ccc(C#CC[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931916454 1027303542 /nfs/dbraw/zinc/30/35/42/1027303542.db2.gz JEIRMADEDOUJCR-CQSZACIVSA-N 1 1 315.285 3.544 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931916454 1027303557 /nfs/dbraw/zinc/30/35/57/1027303557.db2.gz JEIRMADEDOUJCR-CQSZACIVSA-N 1 1 315.285 3.544 20 30 DHEDMO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc(C#N)c(C)c1)C2 ZINC000573885900 1027340151 /nfs/dbraw/zinc/34/01/51/1027340151.db2.gz WNAJYILNKXCCLI-UHFFFAOYSA-N 1 1 318.420 3.923 20 30 DHEDMO C#CCCCCC[N@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932038516 1027346073 /nfs/dbraw/zinc/34/60/73/1027346073.db2.gz KLBKQEPLUDINJU-UHFFFAOYSA-N 1 1 313.441 3.624 20 30 DHEDMO CC(=O)c1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000295607777 1027353345 /nfs/dbraw/zinc/35/33/45/1027353345.db2.gz UZNNMJMMINTKJJ-UHFFFAOYSA-N 1 1 304.393 3.925 20 30 DHEDMO CC(=O)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000295607777 1027353363 /nfs/dbraw/zinc/35/33/63/1027353363.db2.gz UZNNMJMMINTKJJ-UHFFFAOYSA-N 1 1 304.393 3.925 20 30 DHEDMO C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000932275407 1027439215 /nfs/dbraw/zinc/43/92/15/1027439215.db2.gz PGDYTZQCGRORCF-NZSAHSFTSA-N 1 1 312.457 3.699 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@H](C)[C@H](O)c1ccccc1 ZINC000812854722 1027451642 /nfs/dbraw/zinc/45/16/42/1027451642.db2.gz VYRDQSKZZBPDCX-KUHUBIRLSA-N 1 1 312.388 3.641 20 30 DHEDMO C#CC[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)C(C)C ZINC000932390520 1027476729 /nfs/dbraw/zinc/47/67/29/1027476729.db2.gz NIIXWBGEULKUFF-UHFFFAOYSA-N 1 1 306.409 3.636 20 30 DHEDMO C#CC[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)C(C)C ZINC000932390520 1027476736 /nfs/dbraw/zinc/47/67/36/1027476736.db2.gz NIIXWBGEULKUFF-UHFFFAOYSA-N 1 1 306.409 3.636 20 30 DHEDMO CC(C)C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccn1 ZINC000932448570 1027499330 /nfs/dbraw/zinc/49/93/30/1027499330.db2.gz BYFPXVNTPFQHCM-UHFFFAOYSA-N 1 1 315.461 3.640 20 30 DHEDMO C#CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C(C)(C)C ZINC000932466344 1027505972 /nfs/dbraw/zinc/50/59/72/1027505972.db2.gz ZAJMJAPTIXHJMW-UHFFFAOYSA-N 1 1 303.793 3.624 20 30 DHEDMO C#CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C(C)(C)C ZINC000932466344 1027505990 /nfs/dbraw/zinc/50/59/90/1027505990.db2.gz ZAJMJAPTIXHJMW-UHFFFAOYSA-N 1 1 303.793 3.624 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1 ZINC000576080090 1027557848 /nfs/dbraw/zinc/55/78/48/1027557848.db2.gz NDZVZOKMFYOFJR-ROUUACIJSA-N 1 1 301.430 3.641 20 30 DHEDMO CC(C)(C)c1cc2n(n1)CC[N@H+](CCCCC(C)(C)C#N)C2 ZINC000932614293 1027563763 /nfs/dbraw/zinc/56/37/63/1027563763.db2.gz YJNCVDJOTWQVGK-UHFFFAOYSA-N 1 1 302.466 3.716 20 30 DHEDMO C[N@H+]1CC[C@@H](CNc2ccc(F)cc2C#N)[C@H]1c1cccs1 ZINC000363262598 1027575892 /nfs/dbraw/zinc/57/58/92/1027575892.db2.gz FXYUJGCPPKXSJV-SJCJKPOMSA-N 1 1 315.417 3.864 20 30 DHEDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)c1 ZINC000576260716 1027593761 /nfs/dbraw/zinc/59/37/61/1027593761.db2.gz MZUAPXJUVZADJM-HXUWFJFHSA-N 1 1 320.436 3.968 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@@H+](CCCC3CCCC3)CC2)C1=O ZINC001275829497 1027607298 /nfs/dbraw/zinc/60/72/98/1027607298.db2.gz CJNWDRYGVHASMY-FQEVSTJZSA-N 1 1 318.505 3.847 20 30 DHEDMO N#Cc1c(F)cccc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000813335056 1027611345 /nfs/dbraw/zinc/61/13/45/1027611345.db2.gz JBHHXEDHVOFMOL-FQEVSTJZSA-N 1 1 324.399 3.643 20 30 DHEDMO C=CCOc1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000363460732 1027642468 /nfs/dbraw/zinc/64/24/68/1027642468.db2.gz DGAXPGLQUDIGFV-HOTGVXAUSA-N 1 1 320.864 3.621 20 30 DHEDMO C=CCOc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000363460731 1027643318 /nfs/dbraw/zinc/64/33/18/1027643318.db2.gz DGAXPGLQUDIGFV-CVEARBPZSA-N 1 1 320.864 3.621 20 30 DHEDMO COC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(Cl)c1 ZINC000576736714 1027653421 /nfs/dbraw/zinc/65/34/21/1027653421.db2.gz FFLLMBAMNNSGBN-KRWDZBQOSA-N 1 1 318.779 3.828 20 30 DHEDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC000933128088 1027683730 /nfs/dbraw/zinc/68/37/30/1027683730.db2.gz MRUSBMOCWVOIKQ-CQSZACIVSA-N 1 1 315.417 3.527 20 30 DHEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC/C=C\CC ZINC001275844979 1027689754 /nfs/dbraw/zinc/68/97/54/1027689754.db2.gz XNDJTSIRYXRONQ-SFFCAUCYSA-N 1 1 304.478 3.766 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)NC[C@H](C)C[NH+](C)C)cc1 ZINC000813878176 1027747432 /nfs/dbraw/zinc/74/74/32/1027747432.db2.gz LEOHQYGGINFWQI-DZGCQCFKSA-N 1 1 310.869 3.666 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(Cl)c(Cl)cc1O ZINC000774372188 1027764754 /nfs/dbraw/zinc/76/47/54/1027764754.db2.gz WFYMDEKWSZDTQY-SECBINFHSA-N 1 1 322.195 3.816 20 30 DHEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc(Cl)cc1F ZINC000778182305 1027797644 /nfs/dbraw/zinc/79/76/44/1027797644.db2.gz WTRHJYOUTPHSJJ-UHFFFAOYSA-N 1 1 303.764 3.781 20 30 DHEDMO N#Cc1c(F)ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)c1Cl ZINC000364327915 1027807395 /nfs/dbraw/zinc/80/73/95/1027807395.db2.gz BNMITOTVDWKBFT-MRXNPFEDSA-N 1 1 322.811 3.742 20 30 DHEDMO Cc1cc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)n[nH]1 ZINC000364360064 1027813454 /nfs/dbraw/zinc/81/34/54/1027813454.db2.gz IEHVNSYXQSNEKV-AWEZNQCLSA-N 1 1 314.820 3.623 20 30 DHEDMO Cc1cc([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)n[nH]1 ZINC000364360064 1027813459 /nfs/dbraw/zinc/81/34/59/1027813459.db2.gz IEHVNSYXQSNEKV-AWEZNQCLSA-N 1 1 314.820 3.623 20 30 DHEDMO Cc1cc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)[nH]n1 ZINC000364360064 1027813472 /nfs/dbraw/zinc/81/34/72/1027813472.db2.gz IEHVNSYXQSNEKV-AWEZNQCLSA-N 1 1 314.820 3.623 20 30 DHEDMO Cc1cc([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)[nH]n1 ZINC000364360064 1027813487 /nfs/dbraw/zinc/81/34/87/1027813487.db2.gz IEHVNSYXQSNEKV-AWEZNQCLSA-N 1 1 314.820 3.623 20 30 DHEDMO COc1cc(C[N@H+](C)Cc2cc(C#N)cs2)ccc1Cl ZINC000933771893 1027819984 /nfs/dbraw/zinc/81/99/84/1027819984.db2.gz VHUMQSMORICRPC-UHFFFAOYSA-N 1 1 306.818 3.914 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)ccc1Cl ZINC000933771893 1027819995 /nfs/dbraw/zinc/81/99/95/1027819995.db2.gz VHUMQSMORICRPC-UHFFFAOYSA-N 1 1 306.818 3.914 20 30 DHEDMO N#Cc1ccc(-c2cccc(C[NH+]3CCOCC3)c2)cc1Cl ZINC000600777770 1027821085 /nfs/dbraw/zinc/82/10/85/1027821085.db2.gz SHOKVZCBLSJENO-UHFFFAOYSA-N 1 1 312.800 3.711 20 30 DHEDMO C=CC1(CC(=O)N2CC[C@H](C[N@H+](C)CCC)C2)CCCCC1 ZINC000933777427 1027825279 /nfs/dbraw/zinc/82/52/79/1027825279.db2.gz BKHPBDHDAJHGAI-QGZVFWFLSA-N 1 1 306.494 3.703 20 30 DHEDMO C=CC[C@@H]1CCN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000934086784 1027900243 /nfs/dbraw/zinc/90/02/43/1027900243.db2.gz BPNDBOHTKPHUCC-OAHLLOKOSA-N 1 1 314.433 3.502 20 30 DHEDMO N#Cc1c(F)cccc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000007902819 1027900805 /nfs/dbraw/zinc/90/08/05/1027900805.db2.gz HLFHQJFLDDFPFC-VMPITWQZSA-N 1 1 321.399 3.533 20 30 DHEDMO N#Cc1c(F)ccc(C[NH+]2CCC([C@H]3CCOC3)CC2)c1Cl ZINC000365439827 1027948113 /nfs/dbraw/zinc/94/81/13/1027948113.db2.gz SJTYOFQLTMEDTH-AWEZNQCLSA-N 1 1 322.811 3.599 20 30 DHEDMO CC(C)Cn1cnnc1[C@H]1CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000365444996 1027948472 /nfs/dbraw/zinc/94/84/72/1027948472.db2.gz URMPJPBYPLARDZ-MRXNPFEDSA-N 1 1 317.481 3.791 20 30 DHEDMO CC(C)Cn1cnnc1[C@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000365444996 1027948483 /nfs/dbraw/zinc/94/84/83/1027948483.db2.gz URMPJPBYPLARDZ-MRXNPFEDSA-N 1 1 317.481 3.791 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934328920 1027968646 /nfs/dbraw/zinc/96/86/46/1027968646.db2.gz MNLNLWAMAHVPAW-HNNXBMFYSA-N 1 1 311.454 3.696 20 30 DHEDMO C=CCCCC[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000577884560 1027974355 /nfs/dbraw/zinc/97/43/55/1027974355.db2.gz QNCDYCMOUNYMLN-IYARVYRRSA-N 1 1 303.446 3.854 20 30 DHEDMO Cc1cc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)ccc1C#N ZINC000577945934 1027999328 /nfs/dbraw/zinc/99/93/28/1027999328.db2.gz SKXCIZVSZXYJNA-FQEVSTJZSA-N 1 1 306.409 3.614 20 30 DHEDMO Cc1cc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)ccc1C#N ZINC000577945934 1027999338 /nfs/dbraw/zinc/99/93/38/1027999338.db2.gz SKXCIZVSZXYJNA-FQEVSTJZSA-N 1 1 306.409 3.614 20 30 DHEDMO C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000448719495 1028012531 /nfs/dbraw/zinc/01/25/31/1028012531.db2.gz JUARXXNIUZCNDI-QMTMVMCOSA-N 1 1 311.429 3.549 20 30 DHEDMO C=CCC(CC=C)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000366030544 1028035211 /nfs/dbraw/zinc/03/52/11/1028035211.db2.gz BSBOOCNRWVONSU-QGZVFWFLSA-N 1 1 315.461 3.766 20 30 DHEDMO Cc1cnc([C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)s1 ZINC000366435834 1028079029 /nfs/dbraw/zinc/07/90/29/1028079029.db2.gz JAQUQQARPPIZGB-INIZCTEOSA-N 1 1 314.429 3.822 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)c1 ZINC000934878417 1028136673 /nfs/dbraw/zinc/13/66/73/1028136673.db2.gz XMDGOBMINVELGE-INIZCTEOSA-N 1 1 315.461 3.915 20 30 DHEDMO C=CCCC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001134555743 1028160046 /nfs/dbraw/zinc/16/00/46/1028160046.db2.gz CPPGOZZRISWVPP-MOPGFXCFSA-N 1 1 314.473 3.727 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000578623024 1028196847 /nfs/dbraw/zinc/19/68/47/1028196847.db2.gz JDENFAQUTYTSJG-SJLPKXTDSA-N 1 1 303.833 3.583 20 30 DHEDMO CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC[C@H](Oc4ccc(C#N)cc4)C3)C[C@@H]21 ZINC001170767299 1028230702 /nfs/dbraw/zinc/23/07/02/1028230702.db2.gz RICJRNMVCICBHS-DSLXNQLJSA-N 1 1 310.441 3.836 20 30 DHEDMO C[C@@H]1C(N=Nc2ccnc(F)c2)CCC[N@H+]1Cc1ccccc1 ZINC000814902792 1028268113 /nfs/dbraw/zinc/26/81/13/1028268113.db2.gz VONBDYGMYDPJIP-CQSZACIVSA-N 1 1 312.392 3.673 20 30 DHEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000368021861 1028281716 /nfs/dbraw/zinc/28/17/16/1028281716.db2.gz OELABUKSUIHRTJ-WMZOPIPTSA-N 1 1 322.399 3.571 20 30 DHEDMO C=CCCC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000368021861 1028281729 /nfs/dbraw/zinc/28/17/29/1028281729.db2.gz OELABUKSUIHRTJ-WMZOPIPTSA-N 1 1 322.399 3.571 20 30 DHEDMO CCOc1ccc(N[NH+]=Cc2ccc(N3CCCC3)nc2)cc1 ZINC000814983553 1028317991 /nfs/dbraw/zinc/31/79/91/1028317991.db2.gz MGRFZSWCTYEJDX-UHFFFAOYSA-N 1 1 310.401 3.527 20 30 DHEDMO O[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)Cc2ccccc21 ZINC000368322470 1028335532 /nfs/dbraw/zinc/33/55/32/1028335532.db2.gz BSQWYUVCJBJWOK-LJQANCHMSA-N 1 1 311.812 3.631 20 30 DHEDMO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000368366392 1028342113 /nfs/dbraw/zinc/34/21/13/1028342113.db2.gz CKFJKLINBUQQLU-VAMGGRTRSA-N 1 1 311.473 3.571 20 30 DHEDMO C=CCC1(C(=O)Nc2nc3c(s2)C[N@H+](CC)CC3)CCCC1 ZINC000449193615 1028431325 /nfs/dbraw/zinc/43/13/25/1028431325.db2.gz WDCZCWDKAMMKSJ-UHFFFAOYSA-N 1 1 319.474 3.596 20 30 DHEDMO C=CCC1(C(=O)Nc2nc3c(s2)C[N@@H+](CC)CC3)CCCC1 ZINC000449193615 1028431327 /nfs/dbraw/zinc/43/13/27/1028431327.db2.gz WDCZCWDKAMMKSJ-UHFFFAOYSA-N 1 1 319.474 3.596 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[NH2+]CCC#N)c(C(F)(F)F)c2)n1 ZINC000579582105 1028442168 /nfs/dbraw/zinc/44/21/68/1028442168.db2.gz LBSQXRDCGPXRAG-UHFFFAOYSA-N 1 1 322.334 3.511 20 30 DHEDMO CC#CC[N@H+](C)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000815284117 1028450170 /nfs/dbraw/zinc/45/01/70/1028450170.db2.gz NVMRLZIAHITPFA-UHFFFAOYSA-N 1 1 303.349 3.762 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cnn(C)c2C)cc1Cl ZINC000564528606 1028470153 /nfs/dbraw/zinc/47/01/53/1028470153.db2.gz WGKVOAVJAPDSAB-UHFFFAOYSA-N 1 1 319.836 3.579 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)Cc2cnn(C)c2C)cc1Cl ZINC000564528606 1028470158 /nfs/dbraw/zinc/47/01/58/1028470158.db2.gz WGKVOAVJAPDSAB-UHFFFAOYSA-N 1 1 319.836 3.579 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](COCC)C1 ZINC000779158636 1028482289 /nfs/dbraw/zinc/48/22/89/1028482289.db2.gz UYHKRLDWUYLGAF-OAHLLOKOSA-N 1 1 321.848 3.601 20 30 DHEDMO CCCCCCCC[N@@H+]1CCn2c(CC(F)(F)F)nnc2C1 ZINC000369691883 1028518230 /nfs/dbraw/zinc/51/82/30/1028518230.db2.gz GIYZXJNERRQUJG-UHFFFAOYSA-N 1 1 318.387 3.559 20 30 DHEDMO CCCCCCCC[N@H+]1CCn2c(CC(F)(F)F)nnc2C1 ZINC000369691883 1028518238 /nfs/dbraw/zinc/51/82/38/1028518238.db2.gz GIYZXJNERRQUJG-UHFFFAOYSA-N 1 1 318.387 3.559 20 30 DHEDMO COc1cccc([C@@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)c1 ZINC000009902268 1028527966 /nfs/dbraw/zinc/52/79/66/1028527966.db2.gz DULGPCNSUYRGGY-FQEVSTJZSA-N 1 1 322.408 3.783 20 30 DHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565046472 1028532513 /nfs/dbraw/zinc/53/25/13/1028532513.db2.gz LCONUJGXIOEFAK-HUUCEWRRSA-N 1 1 319.430 3.572 20 30 DHEDMO C=CCCCC[C@H](C)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000449334592 1028567706 /nfs/dbraw/zinc/56/77/06/1028567706.db2.gz FPVDETAHKCHYSX-LPHOPBHVSA-N 1 1 302.462 3.800 20 30 DHEDMO CC(C)[C@@H]1CN([C@H]2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000528639889 1028607488 /nfs/dbraw/zinc/60/74/88/1028607488.db2.gz MZVWQYQJDXCIHW-UFYCRDLUSA-N 1 1 311.473 3.521 20 30 DHEDMO CC(C)[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000528639889 1028607492 /nfs/dbraw/zinc/60/74/92/1028607492.db2.gz MZVWQYQJDXCIHW-UFYCRDLUSA-N 1 1 311.473 3.521 20 30 DHEDMO CC(C)[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000528639889 1028607501 /nfs/dbraw/zinc/60/75/01/1028607501.db2.gz MZVWQYQJDXCIHW-UFYCRDLUSA-N 1 1 311.473 3.521 20 30 DHEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@@H](F)C3)c2)c1 ZINC000449390249 1028608995 /nfs/dbraw/zinc/60/89/95/1028608995.db2.gz VNRFPMYUHPWNBI-GOSISDBHSA-N 1 1 310.372 3.681 20 30 DHEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@@H](F)C3)c2)c1 ZINC000449390249 1028609001 /nfs/dbraw/zinc/60/90/01/1028609001.db2.gz VNRFPMYUHPWNBI-GOSISDBHSA-N 1 1 310.372 3.681 20 30 DHEDMO C[C@@H]1C[C@H](c2ccsc2)C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000370564504 1028617768 /nfs/dbraw/zinc/61/77/68/1028617768.db2.gz BNDMBTCTAHEMDY-JEBQAFNWSA-N 1 1 312.438 3.531 20 30 DHEDMO C#CC1CC[NH+](Cc2csc(-c3ccccc3F)n2)CC1 ZINC000830321452 1028641778 /nfs/dbraw/zinc/64/17/78/1028641778.db2.gz MENIXGLHZJXAJN-UHFFFAOYSA-N 1 1 300.402 3.794 20 30 DHEDMO C[N@@H+](CCc1cccc2ccccc21)Cc1ccc(C#N)cn1 ZINC000566045980 1028669606 /nfs/dbraw/zinc/66/96/06/1028669606.db2.gz XMZKRSWSGHHXIA-UHFFFAOYSA-N 1 1 301.393 3.781 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@H](OC)[C@H](C)C2)ccc1OC ZINC000449495845 1028705846 /nfs/dbraw/zinc/70/58/46/1028705846.db2.gz IJNRHFVSILSJBS-WBVHZDCISA-N 1 1 319.445 3.507 20 30 DHEDMO C=CCOc1cccc(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)c1 ZINC000566339431 1028706731 /nfs/dbraw/zinc/70/67/31/1028706731.db2.gz QRUAVZIKOQQFBY-LIRRHRJNSA-N 1 1 315.388 3.602 20 30 DHEDMO CCCCCCCC[N@@H+](CCN)[C@H](C)CCCC(=O)OCC ZINC001258110659 1028726846 /nfs/dbraw/zinc/72/68/46/1028726846.db2.gz XSVVGKRZONVBFG-QGZVFWFLSA-N 1 1 314.514 3.730 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000449505771 1028729405 /nfs/dbraw/zinc/72/94/05/1028729405.db2.gz XRTWLRZSDUPQGC-GOSISDBHSA-N 1 1 321.380 3.846 20 30 DHEDMO COc1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1O ZINC000371562504 1028730527 /nfs/dbraw/zinc/73/05/27/1028730527.db2.gz VZSJGRZYBBKRGS-MSOLQXFVSA-N 1 1 322.408 3.673 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1O ZINC000371562504 1028730542 /nfs/dbraw/zinc/73/05/42/1028730542.db2.gz VZSJGRZYBBKRGS-MSOLQXFVSA-N 1 1 322.408 3.673 20 30 DHEDMO CN(c1cccc(C(F)F)c1C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000566482252 1028734204 /nfs/dbraw/zinc/73/42/04/1028734204.db2.gz LUBJNAMJWCYLOS-FUNVUKJBSA-N 1 1 305.372 3.557 20 30 DHEDMO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000528743520 1028751676 /nfs/dbraw/zinc/75/16/76/1028751676.db2.gz FNKMMMLSWPZGLF-SFHVURJKSA-N 1 1 309.388 3.860 20 30 DHEDMO N#Cc1ccc(-c2cnc(C[N@H+]3CCC[C@H]4CCC[C@H]43)o2)cc1 ZINC000371786409 1028759626 /nfs/dbraw/zinc/75/96/26/1028759626.db2.gz IKZMCXAUJICPLY-NVXWUHKLSA-N 1 1 307.397 3.978 20 30 DHEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H]2C2CC2)c2ccccc21 ZINC000371844042 1028767077 /nfs/dbraw/zinc/76/70/77/1028767077.db2.gz HTTFZJZIPWRPKX-SFHVURJKSA-N 1 1 321.424 3.612 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000449546068 1028777181 /nfs/dbraw/zinc/77/71/81/1028777181.db2.gz ZYAOKPRDCZGAIE-PMACEKPBSA-N 1 1 310.441 3.990 20 30 DHEDMO C=CCC[C@H](C(=O)OCCCn1cc[nH+]c1C)c1ccccc1 ZINC000778553259 1028777653 /nfs/dbraw/zinc/77/76/53/1028777653.db2.gz VFJGKNUZBTVROF-SFHVURJKSA-N 1 1 312.413 3.875 20 30 DHEDMO CC1(C)[C@H](c2cccc(F)c2)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000528775882 1028803673 /nfs/dbraw/zinc/80/36/73/1028803673.db2.gz SUYRAGFYRBZEQI-SFHVURJKSA-N 1 1 309.388 3.860 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](CCCC3CCOCC3)CC2)cc1 ZINC000372133451 1028809512 /nfs/dbraw/zinc/80/95/12/1028809512.db2.gz GSQFOOYYLZHDGY-UHFFFAOYSA-N 1 1 310.441 3.854 20 30 DHEDMO N#Cc1csc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000449584337 1028827299 /nfs/dbraw/zinc/82/72/99/1028827299.db2.gz JNHRITMGOFDLMK-GFCCVEGCSA-N 1 1 308.328 3.814 20 30 DHEDMO CCCc1ncc(C[NH2+]Cc2cccc(OCCCC#N)c2)o1 ZINC000449612798 1028843464 /nfs/dbraw/zinc/84/34/64/1028843464.db2.gz OPAJRXRYOXYXAF-UHFFFAOYSA-N 1 1 313.401 3.599 20 30 DHEDMO C=CC[N@H+](CCc1csc(C)n1)Cc1ccc(OC)cc1 ZINC000119363583 1028853473 /nfs/dbraw/zinc/85/34/73/1028853473.db2.gz YMLVUGLWLBHKIT-UHFFFAOYSA-N 1 1 302.443 3.691 20 30 DHEDMO C=CCC1(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CCCC1 ZINC000449651469 1028880886 /nfs/dbraw/zinc/88/08/86/1028880886.db2.gz NWIMSVNYMKYOMJ-QGZVFWFLSA-N 1 1 306.494 3.751 20 30 DHEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000372751464 1028892047 /nfs/dbraw/zinc/89/20/47/1028892047.db2.gz LSWXBJATBOROMN-LJQANCHMSA-N 1 1 322.456 3.867 20 30 DHEDMO N#Cc1ccc(C[NH+]2CC(c3cccc(C(F)(F)F)c3)C2)o1 ZINC000449666554 1028898349 /nfs/dbraw/zinc/89/83/49/1028898349.db2.gz PVFQFFNXRZMUGA-UHFFFAOYSA-N 1 1 306.287 3.769 20 30 DHEDMO C[N@H+](Cc1cn2c(n1)CCCC2)Cc1ccccc1C(C)(C)C#N ZINC000373005512 1028935401 /nfs/dbraw/zinc/93/54/01/1028935401.db2.gz PPCNAMZCVSPAAF-UHFFFAOYSA-N 1 1 322.456 3.653 20 30 DHEDMO C[N@@H+](Cc1cn2c(n1)CCCC2)Cc1ccccc1C(C)(C)C#N ZINC000373005512 1028935413 /nfs/dbraw/zinc/93/54/13/1028935413.db2.gz PPCNAMZCVSPAAF-UHFFFAOYSA-N 1 1 322.456 3.653 20 30 DHEDMO CC[C@H](C(=O)[C@H](C#N)c1ccc2ccccc2n1)[NH+](CC)CC ZINC000778599556 1028936642 /nfs/dbraw/zinc/93/66/42/1028936642.db2.gz PKGYZXDHBUPJFZ-CRAIPNDOSA-N 1 1 309.413 3.531 20 30 DHEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567739211 1028944739 /nfs/dbraw/zinc/94/47/39/1028944739.db2.gz FROXCIAALWZGIT-KSSFIOAISA-N 1 1 321.380 3.844 20 30 DHEDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000449760980 1028967195 /nfs/dbraw/zinc/96/71/95/1028967195.db2.gz SZHGZEXUZSXTOU-AWEZNQCLSA-N 1 1 312.335 3.578 20 30 DHEDMO COc1cc(C)c(C[N@@H+](C)CC(C)(C)CCC#N)cc1OC ZINC000120111885 1029061447 /nfs/dbraw/zinc/06/14/47/1029061447.db2.gz WNKCZDMSVZNEQK-UHFFFAOYSA-N 1 1 304.434 3.774 20 30 DHEDMO C=CCCCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000373508450 1029067126 /nfs/dbraw/zinc/06/71/26/1029067126.db2.gz ZSYKMNGAFVDPIO-MRXNPFEDSA-N 1 1 318.465 3.537 20 30 DHEDMO Cc1cc([C@H]2CC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)cs1 ZINC000373569941 1029084454 /nfs/dbraw/zinc/08/44/54/1029084454.db2.gz XDPBUXKRKXIVNT-HNNXBMFYSA-N 1 1 322.437 3.565 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000568821439 1029132702 /nfs/dbraw/zinc/13/27/02/1029132702.db2.gz XAHKKFODHQOJSB-UHFFFAOYSA-N 1 1 318.848 3.850 20 30 DHEDMO C=CCC[C@@H](C(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000628746652 1029139943 /nfs/dbraw/zinc/13/99/43/1029139943.db2.gz FHONWNRNPRDDOS-IEBWSBKVSA-N 1 1 314.473 3.585 20 30 DHEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000411603448 1029168063 /nfs/dbraw/zinc/16/80/63/1029168063.db2.gz MJFDWEWCNLFEKP-QAPCUYQASA-N 1 1 313.445 3.787 20 30 DHEDMO N#Cc1c(C[N@H+]2CCSC3(CCC3)CC2)cn2ccccc12 ZINC000411873473 1029230850 /nfs/dbraw/zinc/23/08/50/1029230850.db2.gz XXTFGNGDWVHRAF-UHFFFAOYSA-N 1 1 311.454 3.673 20 30 DHEDMO C[NH+](C)C1CCC(/N=C/c2cc(Cl)cc(Cl)c2O)CC1 ZINC000817707748 1029231810 /nfs/dbraw/zinc/23/18/10/1029231810.db2.gz MZKBPJAZWXMAPW-GIJQJNRQSA-N 1 1 315.244 3.991 20 30 DHEDMO N#CC1(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)CCC1 ZINC000450266356 1029313977 /nfs/dbraw/zinc/31/39/77/1029313977.db2.gz QEZLFXBAXMMWOP-UHFFFAOYSA-N 1 1 306.356 3.502 20 30 DHEDMO C=CCOCC[N@@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000570145499 1029323695 /nfs/dbraw/zinc/32/36/95/1029323695.db2.gz XCQVWIBHOQIRSU-UHFFFAOYSA-N 1 1 313.466 3.920 20 30 DHEDMO C#CC[N@@H+](Cc1ncc(-c2ccc(OC)cc2)o1)C1CCCC1 ZINC000155878682 1029326099 /nfs/dbraw/zinc/32/60/99/1029326099.db2.gz YVWVPFJFEPVGTG-UHFFFAOYSA-N 1 1 310.397 3.728 20 30 DHEDMO C#CC[N@H+](Cc1ncc(-c2ccc(OC)cc2)o1)C1CCCC1 ZINC000155878682 1029326114 /nfs/dbraw/zinc/32/61/14/1029326114.db2.gz YVWVPFJFEPVGTG-UHFFFAOYSA-N 1 1 310.397 3.728 20 30 DHEDMO CCc1cc(CCC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)on1 ZINC000450306142 1029342944 /nfs/dbraw/zinc/34/29/44/1029342944.db2.gz YDRZTNBOKBXDMN-UHFFFAOYSA-N 1 1 311.429 3.952 20 30 DHEDMO N#CCSCCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374621330 1029408202 /nfs/dbraw/zinc/40/82/02/1029408202.db2.gz PNZAVOOYJDSTHC-GFCCVEGCSA-N 1 1 306.397 3.688 20 30 DHEDMO CCCC[N@@H+](CC)Cc1cccc(CNc2nccc(C#N)n2)c1 ZINC000450386864 1029440636 /nfs/dbraw/zinc/44/06/36/1029440636.db2.gz HXKLFHPNJLMDLE-UHFFFAOYSA-N 1 1 323.444 3.582 20 30 DHEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529623813 1029469352 /nfs/dbraw/zinc/46/93/52/1029469352.db2.gz VYPYPBVAMOUFFP-FQEVSTJZSA-N 1 1 316.408 3.620 20 30 DHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529623813 1029469355 /nfs/dbraw/zinc/46/93/55/1029469355.db2.gz VYPYPBVAMOUFFP-FQEVSTJZSA-N 1 1 316.408 3.620 20 30 DHEDMO C[C@@H]1C[C@H](N(C)CC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000450477522 1029501353 /nfs/dbraw/zinc/50/13/53/1029501353.db2.gz WRNRVDGFGPGDNB-IEBWSBKVSA-N 1 1 311.473 3.665 20 30 DHEDMO CCCC[N@H+](C)c1ccc(NC[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000819438269 1029558209 /nfs/dbraw/zinc/55/82/09/1029558209.db2.gz SLJNYOIGGIWOGZ-HXUWFJFHSA-N 1 1 323.440 3.940 20 30 DHEDMO CCCC[N@@H+](C)c1ccc(NC[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000819438269 1029558220 /nfs/dbraw/zinc/55/82/20/1029558220.db2.gz SLJNYOIGGIWOGZ-HXUWFJFHSA-N 1 1 323.440 3.940 20 30 DHEDMO N#CC1(C[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)CCC1 ZINC000450612807 1029580554 /nfs/dbraw/zinc/58/05/54/1029580554.db2.gz SCGXJXQFTPIMTI-ZDUSSCGKSA-N 1 1 313.376 3.840 20 30 DHEDMO N#CC1(C[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)CCC1 ZINC000450612807 1029580564 /nfs/dbraw/zinc/58/05/64/1029580564.db2.gz SCGXJXQFTPIMTI-ZDUSSCGKSA-N 1 1 313.376 3.840 20 30 DHEDMO C[C@H](NN=CC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccncc1 ZINC000819816509 1029612943 /nfs/dbraw/zinc/61/29/43/1029612943.db2.gz KHPQXDQJJWWRSD-KRWDZBQOSA-N 1 1 324.472 3.876 20 30 DHEDMO N#Cc1cccc(C[NH+]2CCC(F)(c3ccccn3)CC2)c1F ZINC000450927481 1029740549 /nfs/dbraw/zinc/74/05/49/1029740549.db2.gz CEVDGFAQDBICMW-UHFFFAOYSA-N 1 1 313.351 3.553 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CCCCC1(F)F ZINC000450984871 1029760876 /nfs/dbraw/zinc/76/08/76/1029760876.db2.gz YOKRTIYUBRFNMI-AWEZNQCLSA-N 1 1 313.388 3.976 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2[C@@H](C)CCC)cc1 ZINC001168126775 1029780398 /nfs/dbraw/zinc/78/03/98/1029780398.db2.gz SLNFXZUXTPNABO-LPHOPBHVSA-N 1 1 312.457 3.897 20 30 DHEDMO CC(C)C[C@]1(C)CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000451293154 1029840308 /nfs/dbraw/zinc/84/03/08/1029840308.db2.gz VIGIZLJEKYAABO-IBGZPJMESA-N 1 1 313.445 3.787 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCC2(F)CCOCC2)cc1 ZINC001168129029 1029841144 /nfs/dbraw/zinc/84/11/44/1029841144.db2.gz BCVOKLVNUOVZFT-GOSISDBHSA-N 1 1 318.436 3.940 20 30 DHEDMO O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000451337125 1029851605 /nfs/dbraw/zinc/85/16/05/1029851605.db2.gz FWLQMJUNMCKACZ-GBESFXJTSA-N 1 1 317.860 3.707 20 30 DHEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CCOc1ccccc1C#N ZINC000451425843 1029873372 /nfs/dbraw/zinc/87/33/72/1029873372.db2.gz YRXBMRVOJRSJQK-OCCSQVGLSA-N 1 1 312.335 3.600 20 30 DHEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1CCOc1ccccc1C#N ZINC000451425841 1029874125 /nfs/dbraw/zinc/87/41/25/1029874125.db2.gz YRXBMRVOJRSJQK-GXTWGEPZSA-N 1 1 312.335 3.600 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000451565814 1029919592 /nfs/dbraw/zinc/91/95/92/1029919592.db2.gz IKOBSVCPMWDCLN-INWMFGNUSA-N 1 1 319.246 3.931 20 30 DHEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000451605201 1029930848 /nfs/dbraw/zinc/93/08/48/1029930848.db2.gz CSYHGBGETLRHOS-DFBGVHRSSA-N 1 1 318.804 3.989 20 30 DHEDMO C=CCN1c2ccccc2[C@]2(CC[N@H+](CC/C=C\CC)C2)C1=O ZINC001276254333 1029958074 /nfs/dbraw/zinc/95/80/74/1029958074.db2.gz CWCGQJSLTXQXJK-KKHYBRAUSA-N 1 1 310.441 3.519 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@H+](CC/C=C\CC)CC2)C1=O ZINC001276258266 1029965416 /nfs/dbraw/zinc/96/54/16/1029965416.db2.gz DKXRPIWLHXTPMZ-SFFCAUCYSA-N 1 1 304.478 3.623 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357299876 1029986390 /nfs/dbraw/zinc/98/63/90/1029986390.db2.gz JQWLLRAMSFYDFR-AWEZNQCLSA-N 1 1 316.405 3.533 20 30 DHEDMO N#CCSCCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451880223 1030038478 /nfs/dbraw/zinc/03/84/78/1030038478.db2.gz VBHOVUXUYXUMKI-MRXNPFEDSA-N 1 1 314.458 3.737 20 30 DHEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc2occc2c1 ZINC001275549432 1030095721 /nfs/dbraw/zinc/09/57/21/1030095721.db2.gz UILXPFBMIPMDCR-HXUWFJFHSA-N 1 1 324.424 3.576 20 30 DHEDMO C=CC[N@@H+](CC(=O)N1CC[C@H](C)Sc2ccccc21)C1CC1 ZINC000357555548 1030104418 /nfs/dbraw/zinc/10/44/18/1030104418.db2.gz SEPMWSFFWBNOFD-AWEZNQCLSA-N 1 1 316.470 3.554 20 30 DHEDMO C=CC[N@H+](CC(=O)N1CC[C@H](C)Sc2ccccc21)C1CC1 ZINC000357555548 1030104422 /nfs/dbraw/zinc/10/44/22/1030104422.db2.gz SEPMWSFFWBNOFD-AWEZNQCLSA-N 1 1 316.470 3.554 20 30 DHEDMO CC(C)Oc1ccccc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866236802 1030171689 /nfs/dbraw/zinc/17/16/89/1030171689.db2.gz CXENPHKSTXILHA-AWEZNQCLSA-N 1 1 310.397 3.902 20 30 DHEDMO C=CC(C)(C)CC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001136677858 1030207721 /nfs/dbraw/zinc/20/77/21/1030207721.db2.gz HGSSWQZBOKNPCG-UHFFFAOYSA-N 1 1 314.473 3.712 20 30 DHEDMO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866294575 1030208049 /nfs/dbraw/zinc/20/80/49/1030208049.db2.gz KBLMWFLNHGJQGY-DYVFJYSZSA-N 1 1 308.381 3.665 20 30 DHEDMO Cc1cccc([C@@H](c2noc([C@@H]([NH3+])CCCC#N)n2)C(C)C)c1 ZINC000823209846 1030231528 /nfs/dbraw/zinc/23/15/28/1030231528.db2.gz JPOSNCZMWXBZJX-HOTGVXAUSA-N 1 1 312.417 3.860 20 30 DHEDMO Cc1nc2c(s1)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)CCC2 ZINC000866336820 1030237464 /nfs/dbraw/zinc/23/74/64/1030237464.db2.gz NFELHSQDEWZXFS-QMTHXVAHSA-N 1 1 313.426 3.757 20 30 DHEDMO C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cccc(C#N)c1O ZINC000866344875 1030243758 /nfs/dbraw/zinc/24/37/58/1030243758.db2.gz ATHMPAUDPUFLKV-BZNIZROVSA-N 1 1 312.344 3.577 20 30 DHEDMO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)c1 ZINC000533299554 1030260075 /nfs/dbraw/zinc/26/00/75/1030260075.db2.gz NIJYUMARKYHXQO-MRXNPFEDSA-N 1 1 321.424 3.807 20 30 DHEDMO C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cccc(C#N)c1O ZINC000866394356 1030276248 /nfs/dbraw/zinc/27/62/48/1030276248.db2.gz WFERKKFSJGKVAY-JTQLQIEISA-N 1 1 321.302 3.528 20 30 DHEDMO CCC(C)(C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000074320902 1030305745 /nfs/dbraw/zinc/30/57/45/1030305745.db2.gz YMEUDUPYVJWJKX-UHFFFAOYSA-N 1 1 319.474 3.557 20 30 DHEDMO C=CCC[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@H]21 ZINC000533368225 1030310946 /nfs/dbraw/zinc/31/09/46/1030310946.db2.gz WIUPPAIGWSZEJM-HSFUPAIVSA-N 1 1 306.494 3.746 20 30 DHEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(C)c1 ZINC001275579431 1030333542 /nfs/dbraw/zinc/33/35/42/1030333542.db2.gz UCDZLWPMVLXYIG-HXUWFJFHSA-N 1 1 312.457 3.528 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)OCc1ccccc1 ZINC000823619188 1030342287 /nfs/dbraw/zinc/34/22/87/1030342287.db2.gz ZFVNCYSTUIKTMN-MRXNPFEDSA-N 1 1 322.408 3.685 20 30 DHEDMO C[C@H](O)C[N@@H+](CC#Cc1ccccc1Cl)Cc1ccccc1 ZINC000533538607 1030416376 /nfs/dbraw/zinc/41/63/76/1030416376.db2.gz SMFGXWPMMFEJIV-INIZCTEOSA-N 1 1 313.828 3.575 20 30 DHEDMO C=CCCOCC[NH2+][C@@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000925631425 1030426070 /nfs/dbraw/zinc/42/60/70/1030426070.db2.gz YIZBIMOHWQJQEN-JTQLQIEISA-N 1 1 322.758 3.997 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000558126658 1030431019 /nfs/dbraw/zinc/43/10/19/1030431019.db2.gz IESPOFCEAPCXQG-HIFRSBDPSA-N 1 1 315.379 3.895 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000558126661 1030432672 /nfs/dbraw/zinc/43/26/72/1030432672.db2.gz IESPOFCEAPCXQG-ZFWWWQNUSA-N 1 1 315.379 3.895 20 30 DHEDMO C[C@@H](C#N)C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000533598442 1030456979 /nfs/dbraw/zinc/45/69/79/1030456979.db2.gz VBGOUAQNKJFVKR-LBPRGKRZSA-N 1 1 312.335 3.708 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000533598442 1030456989 /nfs/dbraw/zinc/45/69/89/1030456989.db2.gz VBGOUAQNKJFVKR-LBPRGKRZSA-N 1 1 312.335 3.708 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)nc1 ZINC000558246440 1030495483 /nfs/dbraw/zinc/49/54/83/1030495483.db2.gz PAVCQSRICBCDAM-HXUWFJFHSA-N 1 1 317.367 3.972 20 30 DHEDMO CC(C)c1ccccc1NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867943017 1030505154 /nfs/dbraw/zinc/50/51/54/1030505154.db2.gz JPOBHYGJOHMRJW-IBGZPJMESA-N 1 1 319.408 3.507 20 30 DHEDMO C[C@@H]1CC(N=Nc2ncccc2F)CC[N@H+]1Cc1ccccc1 ZINC000794990716 1030525922 /nfs/dbraw/zinc/52/59/22/1030525922.db2.gz NPKHWTMYKIOALA-CQSZACIVSA-N 1 1 312.392 3.673 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCCC[C@@H]2CC(C)C)c1=S ZINC000122051973 1030552348 /nfs/dbraw/zinc/55/23/48/1030552348.db2.gz CXCLLPTWGRXVHQ-OAHLLOKOSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCCC[C@@H]2CC(C)C)c1=S ZINC000122051973 1030552359 /nfs/dbraw/zinc/55/23/59/1030552359.db2.gz CXCLLPTWGRXVHQ-OAHLLOKOSA-N 1 1 308.495 3.767 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(C(C)N=Nc2cccc(F)n2)cc1 ZINC000795006960 1030560679 /nfs/dbraw/zinc/56/06/79/1030560679.db2.gz UWUHWQRZBWHCEB-UHFFFAOYSA-N 1 1 309.348 3.551 20 30 DHEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CCCSCC#N)c1 ZINC000074991626 1030628682 /nfs/dbraw/zinc/62/86/82/1030628682.db2.gz FGHGSOFPYBYRAI-KRWDZBQOSA-N 1 1 303.475 3.536 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000824942319 1030677991 /nfs/dbraw/zinc/67/79/91/1030677991.db2.gz YIKDEGJCJJPBTF-UXHICEINSA-N 1 1 309.457 3.657 20 30 DHEDMO CC(C)CC[NH+]1CCC(N[C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000926318486 1030696053 /nfs/dbraw/zinc/69/60/53/1030696053.db2.gz ZBEQZYXPUDOWJF-HXUWFJFHSA-N 1 1 311.473 3.646 20 30 DHEDMO CC[C@@H]([NH2+][C@H]1COCc2ccccc21)c1cccc(C#N)c1O ZINC000926598519 1030821188 /nfs/dbraw/zinc/82/11/88/1030821188.db2.gz NFAWHMHFPJMTOC-MSOLQXFVSA-N 1 1 308.381 3.576 20 30 DHEDMO N#Cc1cccc(C2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)c1 ZINC001137046890 1030834478 /nfs/dbraw/zinc/83/44/78/1030834478.db2.gz QNEGCIAESKZYFD-UHFFFAOYSA-N 1 1 316.408 3.814 20 30 DHEDMO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cn2c(n1)CCCC2 ZINC000926672369 1030852973 /nfs/dbraw/zinc/85/29/73/1030852973.db2.gz SIPUFTKJEOQUQM-OAHLLOKOSA-N 1 1 320.440 3.821 20 30 DHEDMO CC[C@@H]([NH2+]Cc1cc(OC)ccc1F)c1cccc(C#N)c1O ZINC000926736185 1030897573 /nfs/dbraw/zinc/89/75/73/1030897573.db2.gz ZCTRHVCHWVYFGO-QGZVFWFLSA-N 1 1 314.360 3.652 20 30 DHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)OCC(C)(C)C#N)cc1 ZINC000805913439 1030939205 /nfs/dbraw/zinc/93/92/05/1030939205.db2.gz DOHVGMXEBRDCOC-UHFFFAOYSA-N 1 1 302.418 3.625 20 30 DHEDMO C=CC[C@H](C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000188780951 1030970932 /nfs/dbraw/zinc/97/09/32/1030970932.db2.gz RWTLWCOESNQXLQ-MJGOQNOKSA-N 1 1 314.473 3.583 20 30 DHEDMO C[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccc(C#N)c(F)c1 ZINC000926920924 1030994469 /nfs/dbraw/zinc/99/44/69/1030994469.db2.gz SYVMKTJWVXGCOM-LLVKDONJSA-N 1 1 315.417 3.883 20 30 DHEDMO COc1c(F)cc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1Cl ZINC001143853493 1031018442 /nfs/dbraw/zinc/01/84/42/1031018442.db2.gz GVTOYTOAKUBMGW-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(Cl)c1 ZINC000844372128 1031073040 /nfs/dbraw/zinc/07/30/40/1031073040.db2.gz VCEUJXDSHSCKMZ-GOSISDBHSA-N 1 1 314.816 3.686 20 30 DHEDMO CCCOc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1 ZINC000844368495 1031090845 /nfs/dbraw/zinc/09/08/45/1031090845.db2.gz XZYGCKPTVHHXCK-FQEVSTJZSA-N 1 1 324.424 3.512 20 30 DHEDMO CC(C)O[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000844377740 1031108754 /nfs/dbraw/zinc/10/87/54/1031108754.db2.gz HQCFMYRGGATCMY-INIZCTEOSA-N 1 1 322.836 3.632 20 30 DHEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000844377740 1031108763 /nfs/dbraw/zinc/10/87/63/1031108763.db2.gz HQCFMYRGGATCMY-INIZCTEOSA-N 1 1 322.836 3.632 20 30 DHEDMO C=CCOCC[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000559131050 1031129051 /nfs/dbraw/zinc/12/90/51/1031129051.db2.gz XEHQBMGFLGNURM-UHFFFAOYSA-N 1 1 311.425 3.900 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCc2ccc(F)cc21 ZINC000844467166 1031161457 /nfs/dbraw/zinc/16/14/57/1031161457.db2.gz BVSMEKPOQALGRU-HNNXBMFYSA-N 1 1 324.399 3.890 20 30 DHEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CCC1 ZINC000359849353 1031163929 /nfs/dbraw/zinc/16/39/29/1031163929.db2.gz YZSVLCMIHMLLFV-FUHWJXTLSA-N 1 1 312.457 3.512 20 30 DHEDMO C=CC[N@H+](CC[C@@H]1CCCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000347398161 1031219015 /nfs/dbraw/zinc/21/90/15/1031219015.db2.gz HEXBCALWRAYQEN-KRWDZBQOSA-N 1 1 304.390 3.542 20 30 DHEDMO Cc1cccc(Br)c1N=NC1CCC[N@H+](C)CC1 ZINC000844615784 1031250427 /nfs/dbraw/zinc/25/04/27/1031250427.db2.gz CSNIBCLQAXGDKW-UHFFFAOYSA-N 1 1 310.239 3.641 20 30 DHEDMO C#CC[C@@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)c1ccccc1 ZINC000273497249 1031280210 /nfs/dbraw/zinc/28/02/10/1031280210.db2.gz PKGANDRAACULLW-RDTXWAMCSA-N 1 1 323.392 3.594 20 30 DHEDMO COc1ccc(OC)c(C=NOCc2c(C)cc(C)[nH+]c2C)c1 ZINC000871723527 1031293185 /nfs/dbraw/zinc/29/31/85/1031293185.db2.gz YVXCLDSVAUMBJJ-UHFFFAOYSA-N 1 1 314.385 3.575 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]2CCCC[C@H]21 ZINC000360201419 1031320851 /nfs/dbraw/zinc/32/08/51/1031320851.db2.gz ZVUFMBJWVLHHKM-XOKHGSTOSA-N 1 1 322.412 3.619 20 30 DHEDMO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001144219612 1031335410 /nfs/dbraw/zinc/33/54/10/1031335410.db2.gz ZOBKOVWWJDHNEJ-CYBMUJFWSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001144219612 1031335422 /nfs/dbraw/zinc/33/54/22/1031335422.db2.gz ZOBKOVWWJDHNEJ-CYBMUJFWSA-N 1 1 307.235 3.883 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCS[C@H](C)[C@@H]2C)ccc1OC ZINC000536670566 1031381121 /nfs/dbraw/zinc/38/11/21/1031381121.db2.gz UESVQXYOCVPNHV-LSDHHAIUSA-N 1 1 321.486 3.976 20 30 DHEDMO N#CCSCCC[N@@H+]1CC=C(c2cncc3ccccc32)CC1 ZINC000360353576 1031392483 /nfs/dbraw/zinc/39/24/83/1031392483.db2.gz HSKZHXLYYVJFFU-UHFFFAOYSA-N 1 1 323.465 3.971 20 30 DHEDMO C=CC[N@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)C1CC1 ZINC000536744594 1031425614 /nfs/dbraw/zinc/42/56/14/1031425614.db2.gz IVBTXPSABBBMPV-UHFFFAOYSA-N 1 1 320.436 3.870 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(Cc1ccccc1)c1ccccc1)C1CC1 ZINC000536744594 1031425619 /nfs/dbraw/zinc/42/56/19/1031425619.db2.gz IVBTXPSABBBMPV-UHFFFAOYSA-N 1 1 320.436 3.870 20 30 DHEDMO Cc1cccc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000360503163 1031451859 /nfs/dbraw/zinc/45/18/59/1031451859.db2.gz KHOUPUQXSOUFQZ-UHFFFAOYSA-N 1 1 318.380 3.549 20 30 DHEDMO Cc1cccc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)c1 ZINC000360503163 1031451865 /nfs/dbraw/zinc/45/18/65/1031451865.db2.gz KHOUPUQXSOUFQZ-UHFFFAOYSA-N 1 1 318.380 3.549 20 30 DHEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929239272 1031475106 /nfs/dbraw/zinc/47/51/06/1031475106.db2.gz YCLCLKHWMPLETG-KLAILNCOSA-N 1 1 323.444 3.590 20 30 DHEDMO CC(C)[N@@H+](C)CC1CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000536996259 1031484110 /nfs/dbraw/zinc/48/41/10/1031484110.db2.gz PSSXWAPPEQXVPL-UHFFFAOYSA-N 1 1 322.456 3.663 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CCN(C)C)c1ccccc1 ZINC001171179919 1031562750 /nfs/dbraw/zinc/56/27/50/1031562750.db2.gz YWVOJKLZUIXBNX-UTKZUKDTSA-N 1 1 321.468 3.772 20 30 DHEDMO N#Cc1c(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)cn2ccccc12 ZINC000872276920 1031572461 /nfs/dbraw/zinc/57/24/61/1031572461.db2.gz UIOASUZRTCCUPA-GOSISDBHSA-N 1 1 323.440 3.735 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)c1F ZINC000872282055 1031575750 /nfs/dbraw/zinc/57/57/50/1031575750.db2.gz ZYASDXMQHIXEPV-KRWDZBQOSA-N 1 1 302.393 3.621 20 30 DHEDMO CCCC[NH+](CCCC)CCN[C@@H](C)Cc1cccc(C#N)c1 ZINC001171182184 1031578899 /nfs/dbraw/zinc/57/88/99/1031578899.db2.gz SBJVDXKJIJDQTK-SFHVURJKSA-N 1 1 315.505 3.981 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000360838192 1031583443 /nfs/dbraw/zinc/58/34/43/1031583443.db2.gz BFBUIZHWJLDROM-RXVVDRJESA-N 1 1 323.484 3.932 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000360838192 1031583455 /nfs/dbraw/zinc/58/34/55/1031583455.db2.gz BFBUIZHWJLDROM-RXVVDRJESA-N 1 1 323.484 3.932 20 30 DHEDMO C[C@H](O)C[N@@H+](CCCCC1(C#N)CCC1)Cc1ccccc1 ZINC000929700435 1031583673 /nfs/dbraw/zinc/58/36/73/1031583673.db2.gz FMGDXHMETLSWRW-KRWDZBQOSA-N 1 1 300.446 3.734 20 30 DHEDMO N#CC1CCC(C[N@H+]2CC[C@H](COCc3ccccc3)C2)CC1 ZINC000929721158 1031589662 /nfs/dbraw/zinc/58/96/62/1031589662.db2.gz NTMJNANOTYYMEY-QLOJAFMTSA-N 1 1 312.457 3.855 20 30 DHEDMO Cc1nc(C2([NH2+]CCCCC3(C#N)CCC3)CCCC2)no1 ZINC000929741869 1031597106 /nfs/dbraw/zinc/59/71/06/1031597106.db2.gz ZIGQVTKGGBGRID-UHFFFAOYSA-N 1 1 302.422 3.601 20 30 DHEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1Cc2ccc(OC)cc2C1 ZINC001168278915 1031615897 /nfs/dbraw/zinc/61/58/97/1031615897.db2.gz GSVWSPNMRZNSRP-SIKLNZKXSA-N 1 1 317.432 3.785 20 30 DHEDMO C=CCCC1(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000476050251 1031619717 /nfs/dbraw/zinc/61/97/17/1031619717.db2.gz MYWYLKXKTGAXNM-ROUUACIJSA-N 1 1 318.505 3.846 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000929833547 1031621755 /nfs/dbraw/zinc/62/17/55/1031621755.db2.gz KEODRNHYKFBTFJ-KRWDZBQOSA-N 1 1 312.438 3.810 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000929833547 1031621761 /nfs/dbraw/zinc/62/17/61/1031621761.db2.gz KEODRNHYKFBTFJ-KRWDZBQOSA-N 1 1 312.438 3.810 20 30 DHEDMO C[C@H]1c2ccccc2C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000361072899 1031711362 /nfs/dbraw/zinc/71/13/62/1031711362.db2.gz HKVBIICCJCFMNK-LBPRGKRZSA-N 1 1 311.410 3.525 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](CCCc3ccsc3)CCO2)c1 ZINC000361085098 1031719791 /nfs/dbraw/zinc/71/97/91/1031719791.db2.gz FVLVLHDTQYGZJO-SFHVURJKSA-N 1 1 312.438 3.626 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](CCCc3ccsc3)CCO2)c1 ZINC000361085098 1031719809 /nfs/dbraw/zinc/71/98/09/1031719809.db2.gz FVLVLHDTQYGZJO-SFHVURJKSA-N 1 1 312.438 3.626 20 30 DHEDMO C#Cc1ccc(C[N@@H+](Cc2cccc(OC)c2)[C@H](C)COC)cc1 ZINC001144576911 1031723770 /nfs/dbraw/zinc/72/37/70/1031723770.db2.gz VKAXZWITACTDEB-QGZVFWFLSA-N 1 1 323.436 3.714 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1cncc(F)c1 ZINC000361134076 1031747325 /nfs/dbraw/zinc/74/73/25/1031747325.db2.gz BZMCGIWJQGXVJN-JTQLQIEISA-N 1 1 321.302 3.545 20 30 DHEDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CCCCC1(C#N)CCC1 ZINC000930363096 1031792860 /nfs/dbraw/zinc/79/28/60/1031792860.db2.gz FRSPXKHMEDYHDC-MSOLQXFVSA-N 1 1 324.472 3.904 20 30 DHEDMO CC[C@H](C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000846008840 1031803996 /nfs/dbraw/zinc/80/39/96/1031803996.db2.gz YEIPIWTYFLOFKN-XLIONFOSSA-N 1 1 308.425 3.717 20 30 DHEDMO N#Cc1cncc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000930451932 1031823770 /nfs/dbraw/zinc/82/37/70/1031823770.db2.gz XJOTUKCJYDSNLI-AQNXPRMDSA-N 1 1 303.409 3.721 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000930478999 1031836098 /nfs/dbraw/zinc/83/60/98/1031836098.db2.gz YIQPTGQQCKXGIB-KRWDZBQOSA-N 1 1 311.816 3.986 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000846107927 1031855007 /nfs/dbraw/zinc/85/50/07/1031855007.db2.gz MDXQYLLINOQDNF-KRWDZBQOSA-N 1 1 305.368 3.710 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)CCC1 ZINC000930525944 1031857092 /nfs/dbraw/zinc/85/70/92/1031857092.db2.gz CYBAIRGTESFYCC-HNNXBMFYSA-N 1 1 306.841 3.647 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000846107931 1031857958 /nfs/dbraw/zinc/85/79/58/1031857958.db2.gz MDXQYLLINOQDNF-QGZVFWFLSA-N 1 1 305.368 3.710 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000930610307 1031888080 /nfs/dbraw/zinc/88/80/80/1031888080.db2.gz CNGVKNDFRXFUFF-KZNAEPCWSA-N 1 1 318.848 3.727 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000930612633 1031889739 /nfs/dbraw/zinc/88/97/39/1031889739.db2.gz UNWPTOANVWKZBD-MISYRCLQSA-N 1 1 312.457 3.691 20 30 DHEDMO N#Cc1ccc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000561418789 1031892996 /nfs/dbraw/zinc/89/29/96/1031892996.db2.gz VQYHUPSDQNBXBK-NRFANRHFSA-N 1 1 317.436 3.661 20 30 DHEDMO N#CC1CCC(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)CC1 ZINC000930763353 1031942281 /nfs/dbraw/zinc/94/22/81/1031942281.db2.gz ODSWFVIFIFDQHL-LEOMRAHMSA-N 1 1 302.462 3.597 20 30 DHEDMO C=CCC[C@H](C)[NH2+][C@H](c1nccn1C)c1ccc(F)cc1F ZINC000898104327 1031963823 /nfs/dbraw/zinc/96/38/23/1031963823.db2.gz DXFPXNNLCLEGPG-LRDDRELGSA-N 1 1 305.372 3.732 20 30 DHEDMO Cc1cccc(C[N@@H+]2CCC[C@H](CC#N)C2)c1Br ZINC000930923107 1031985240 /nfs/dbraw/zinc/98/52/40/1031985240.db2.gz GTWVXPSWIVAMQP-CYBMUJFWSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1Br ZINC000930923107 1031985245 /nfs/dbraw/zinc/98/52/45/1031985245.db2.gz GTWVXPSWIVAMQP-CYBMUJFWSA-N 1 1 307.235 3.883 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC001171231702 1032000298 /nfs/dbraw/zinc/00/02/98/1032000298.db2.gz LBRVROLTAGXLPW-ZDUSSCGKSA-N 1 1 312.363 3.826 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001171232656 1032004760 /nfs/dbraw/zinc/00/47/60/1032004760.db2.gz VBJJQWIDXXSVDF-MGPUTAFESA-N 1 1 324.399 3.782 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCOC[C@H]2c2cccc(F)c2)CC1 ZINC000931017951 1032011763 /nfs/dbraw/zinc/01/17/63/1032011763.db2.gz JUJRVGVLLYZKFN-JMLCCBQJSA-N 1 1 302.393 3.529 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCOC[C@H]2c2cccc(F)c2)CC1 ZINC000931017951 1032011773 /nfs/dbraw/zinc/01/17/73/1032011773.db2.gz JUJRVGVLLYZKFN-JMLCCBQJSA-N 1 1 302.393 3.529 20 30 DHEDMO COc1c(C)cnc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c1C ZINC000877503292 1033327938 /nfs/dbraw/zinc/32/79/38/1033327938.db2.gz IBFHBHMTAAPLMV-UHFFFAOYSA-N 1 1 315.804 3.522 20 30 DHEDMO CN(C)c1ccc(C#N)cc1C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000877548594 1033348395 /nfs/dbraw/zinc/34/83/95/1033348395.db2.gz NGNVTJOVNSJSAV-IBGZPJMESA-N 1 1 320.440 3.602 20 30 DHEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000877548594 1033348404 /nfs/dbraw/zinc/34/84/04/1033348404.db2.gz NGNVTJOVNSJSAV-IBGZPJMESA-N 1 1 320.440 3.602 20 30 DHEDMO COc1cccc([C@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)c1 ZINC001137122546 1033366192 /nfs/dbraw/zinc/36/61/92/1033366192.db2.gz GQEYTCNTERTWIK-SFHVURJKSA-N 1 1 322.408 3.587 20 30 DHEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(N(C)C)cc1 ZINC001137122928 1033367435 /nfs/dbraw/zinc/36/74/35/1033367435.db2.gz ZGBUDMJOUNTATK-UHFFFAOYSA-N 1 1 323.440 3.677 20 30 DHEDMO Cc1ccc2c(c1)C[C@@H]([N@H+]1CCc3cc(C#N)ccc3C1)CC2 ZINC001172828472 1033391822 /nfs/dbraw/zinc/39/18/22/1033391822.db2.gz UCXVKQCVBYKJJD-NRFANRHFSA-N 1 1 302.421 3.782 20 30 DHEDMO N#Cc1ccc(F)c(C[NH+]2CCC(Oc3ccccc3)CC2)c1 ZINC000064792839 1033404892 /nfs/dbraw/zinc/40/48/92/1033404892.db2.gz QLWSBHQFTDDABR-UHFFFAOYSA-N 1 1 310.372 3.741 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1CCN(c2ccccc2)C1 ZINC000877705284 1033416805 /nfs/dbraw/zinc/41/68/05/1033416805.db2.gz YTCWXCAPOAFIBT-HXUWFJFHSA-N 1 1 319.452 3.559 20 30 DHEDMO C[N@H+](CCc1cccc(C#N)c1)Cc1ccnc(Cl)c1Cl ZINC000877705154 1033419179 /nfs/dbraw/zinc/41/91/79/1033419179.db2.gz ULOGQYGJSHEJEQ-UHFFFAOYSA-N 1 1 320.223 3.935 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccnc(Cl)c1Cl ZINC000877705154 1033419189 /nfs/dbraw/zinc/41/91/89/1033419189.db2.gz ULOGQYGJSHEJEQ-UHFFFAOYSA-N 1 1 320.223 3.935 20 30 DHEDMO C=C[C@](C)(O)C[N@H+]1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC001252556793 1033553939 /nfs/dbraw/zinc/55/39/39/1033553939.db2.gz FCFNAFXGHCMONS-NHYWBVRUSA-N 1 1 300.229 3.720 20 30 DHEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000552828088 1033520850 /nfs/dbraw/zinc/52/08/50/1033520850.db2.gz IKKAIISBQALVCE-ACJLOTCBSA-N 1 1 310.372 3.521 20 30 DHEDMO CCC[N@H+](Cc1nc2c(o1)CCCC2)Cc1ccc(C#N)cc1 ZINC000877962073 1033530851 /nfs/dbraw/zinc/53/08/51/1033530851.db2.gz XKIUGJHOPBVATK-UHFFFAOYSA-N 1 1 309.413 3.837 20 30 DHEDMO CCC[N@@H+](Cc1nc2c(o1)CCCC2)Cc1ccc(C#N)cc1 ZINC000877962073 1033530857 /nfs/dbraw/zinc/53/08/57/1033530857.db2.gz XKIUGJHOPBVATK-UHFFFAOYSA-N 1 1 309.413 3.837 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)C1 ZINC000339022136 1033560231 /nfs/dbraw/zinc/56/02/31/1033560231.db2.gz KPDACTXJLUYEPI-RBSFLKMASA-N 1 1 315.486 3.894 20 30 DHEDMO CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1ccoc1 ZINC000878036279 1033562283 /nfs/dbraw/zinc/56/22/83/1033562283.db2.gz IPCUKIJSITZSJL-LJQANCHMSA-N 1 1 310.397 3.542 20 30 DHEDMO CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1ccoc1 ZINC000878036279 1033562286 /nfs/dbraw/zinc/56/22/86/1033562286.db2.gz IPCUKIJSITZSJL-LJQANCHMSA-N 1 1 310.397 3.542 20 30 DHEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCCCO1 ZINC000478971425 1033619218 /nfs/dbraw/zinc/61/92/18/1033619218.db2.gz LKNHGEDLXQUFKQ-MRXNPFEDSA-N 1 1 311.347 3.558 20 30 DHEDMO C=CCOC1CCC([N@@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)CC1 ZINC001173322263 1033685496 /nfs/dbraw/zinc/68/54/96/1033685496.db2.gz AGZBOIGLPXSABV-CGZBRXJRSA-N 1 1 323.477 3.696 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@H](c3cccc(OC)c3)C2)CC1 ZINC001173323158 1033685608 /nfs/dbraw/zinc/68/56/08/1033685608.db2.gz QYEKQTUCLFIHIP-VIQWUECVSA-N 1 1 315.457 3.998 20 30 DHEDMO C=CCOC1CCC([N@@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC001173328039 1033688149 /nfs/dbraw/zinc/68/81/49/1033688149.db2.gz YDVWCZSIOZUSTA-OFLPRAFFSA-N 1 1 323.477 3.696 20 30 DHEDMO C=CCOC1CCC([N@@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)CC1 ZINC001173328031 1033689414 /nfs/dbraw/zinc/68/94/14/1033689414.db2.gz YDVWCZSIOZUSTA-JCYILVPMSA-N 1 1 323.477 3.696 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@@H]2COCc2ccccc2)CC1 ZINC001173327939 1033689558 /nfs/dbraw/zinc/68/95/58/1033689558.db2.gz WFNMSMTVSCVYGM-IOJLRTSASA-N 1 1 315.457 3.791 20 30 DHEDMO N#CCC1CCC([NH2+]C2(c3ccccc3Cl)COC2)CC1 ZINC001173334268 1033691077 /nfs/dbraw/zinc/69/10/77/1033691077.db2.gz OVDDBVXNJKVKJW-UHFFFAOYSA-N 1 1 304.821 3.628 20 30 DHEDMO N#CCC1CCC([N@@H+](Cc2cccnc2)Cc2ccccn2)CC1 ZINC001173335735 1033691345 /nfs/dbraw/zinc/69/13/45/1033691345.db2.gz WSJDSUIONVRGJT-UHFFFAOYSA-N 1 1 320.440 3.951 20 30 DHEDMO N#CCC1CCC([N@@H+]2CCn3c(-c4ccccc4)cnc3C2)CC1 ZINC001173336785 1033692057 /nfs/dbraw/zinc/69/20/57/1033692057.db2.gz LMSALUXYXCXXTQ-UHFFFAOYSA-N 1 1 320.440 3.838 20 30 DHEDMO N#CCC1CCC([N@H+]2CCn3c(-c4ccccc4)cnc3C2)CC1 ZINC001173336785 1033692061 /nfs/dbraw/zinc/69/20/61/1033692061.db2.gz LMSALUXYXCXXTQ-UHFFFAOYSA-N 1 1 320.440 3.838 20 30 DHEDMO Cc1cc(C)c(C#N)c(NCCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000339031087 1033697754 /nfs/dbraw/zinc/69/77/54/1033697754.db2.gz BWGWCDPRXNQAKF-MRXNPFEDSA-N 1 1 300.450 3.637 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000878496883 1033726462 /nfs/dbraw/zinc/72/64/62/1033726462.db2.gz LOMFMQXHUAOGDA-PDOICOKGSA-N 1 1 312.457 3.793 20 30 DHEDMO CCC1CCC([NH2+]C2CCC(C)(C#N)CC2)(C(=O)OC)CC1 ZINC001173590275 1033778407 /nfs/dbraw/zinc/77/84/07/1033778407.db2.gz CSJZUPWJEXGOJX-UHFFFAOYSA-N 1 1 306.450 3.560 20 30 DHEDMO COC(C[N@@H+](Cc1ccccc1)C1CCC(C)(C#N)CC1)OC ZINC001173592698 1033780730 /nfs/dbraw/zinc/78/07/30/1033780730.db2.gz ZCNRRHXJAOJIJF-UHFFFAOYSA-N 1 1 316.445 3.580 20 30 DHEDMO CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)C1CCC(C)(C#N)CC1 ZINC001173599324 1033784412 /nfs/dbraw/zinc/78/44/12/1033784412.db2.gz KAQPIWDGXCGGEB-UHFFFAOYSA-N 1 1 323.481 3.694 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)CC1 ZINC001173597765 1033784908 /nfs/dbraw/zinc/78/49/08/1033784908.db2.gz IHJMEYOHAKCGDV-FDYSRKEFSA-N 1 1 323.440 3.874 20 30 DHEDMO COc1ccc(C[N@@H+](C)C2CCC(C)(C#N)CC2)c(OC)c1 ZINC001173599513 1033785173 /nfs/dbraw/zinc/78/51/73/1033785173.db2.gz NGRVDBANGGUJMC-UHFFFAOYSA-N 1 1 302.418 3.608 20 30 DHEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173598059 1033785526 /nfs/dbraw/zinc/78/55/26/1033785526.db2.gz MVZVVXITCHBJHI-CSLYMUCUSA-N 1 1 306.450 3.655 20 30 DHEDMO CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](CCC#N)Cc2ccccc2)C1 ZINC001173635533 1033803338 /nfs/dbraw/zinc/80/33/38/1033803338.db2.gz AWRRDQMWHJOVQO-ZWKOTPCHSA-N 1 1 314.429 3.524 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H](C2CCCC2)C1)c1ccccc1 ZINC000878719717 1033809421 /nfs/dbraw/zinc/80/94/21/1033809421.db2.gz AXQVJDDFLUEKLV-TZIWHRDSSA-N 1 1 324.468 3.939 20 30 DHEDMO C#CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(C)cccc2Cl)C1 ZINC000878759755 1033823010 /nfs/dbraw/zinc/82/30/10/1033823010.db2.gz ADNHQTGNUNOLSG-HUUCEWRRSA-N 1 1 318.848 3.711 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2Cl)C1 ZINC000878759755 1033823013 /nfs/dbraw/zinc/82/30/13/1033823013.db2.gz ADNHQTGNUNOLSG-HUUCEWRRSA-N 1 1 318.848 3.711 20 30 DHEDMO C=CCCC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000878779499 1033825634 /nfs/dbraw/zinc/82/56/34/1033825634.db2.gz DPSJEUAMKODXFT-PKOBYXMFSA-N 1 1 314.473 3.585 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173657293 1033826633 /nfs/dbraw/zinc/82/66/33/1033826633.db2.gz JCZUPPMVLBSELA-ZWKOTPCHSA-N 1 1 301.430 3.797 20 30 DHEDMO C#C[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)cc1F ZINC000862365282 1033831964 /nfs/dbraw/zinc/83/19/64/1033831964.db2.gz OJKQPPNNCMDXON-XJKSGUPXSA-N 1 1 308.828 3.616 20 30 DHEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000878844185 1033842366 /nfs/dbraw/zinc/84/23/66/1033842366.db2.gz SMHWUYLJYBXWIN-SJORKVTESA-N 1 1 306.494 3.702 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000862445440 1033860569 /nfs/dbraw/zinc/86/05/69/1033860569.db2.gz TZUGWHYVNGTOHA-AWEZNQCLSA-N 1 1 310.353 3.700 20 30 DHEDMO CCOc1ccccc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001173848063 1033880984 /nfs/dbraw/zinc/88/09/84/1033880984.db2.gz NGNZMAKRMGICTA-UHFFFAOYSA-N 1 1 313.426 3.750 20 30 DHEDMO CCOc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1 ZINC001173852267 1033885105 /nfs/dbraw/zinc/88/51/05/1033885105.db2.gz BEUBUBRLGOKKNM-UHFFFAOYSA-N 1 1 313.426 3.750 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879245178 1033961433 /nfs/dbraw/zinc/96/14/33/1033961433.db2.gz IWVGFGGPTPUCFL-WOJBJXKFSA-N 1 1 306.409 3.565 20 30 DHEDMO C[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCC[C@H]1C#N ZINC000879310284 1033978750 /nfs/dbraw/zinc/97/87/50/1033978750.db2.gz SKNQBQITWQQDKC-COLVAYQJSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCC[C@H]1C#N ZINC000879310284 1033978755 /nfs/dbraw/zinc/97/87/55/1033978755.db2.gz SKNQBQITWQQDKC-COLVAYQJSA-N 1 1 313.228 3.651 20 30 DHEDMO C=CC(C)(C)CC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000879415310 1034010410 /nfs/dbraw/zinc/01/04/10/1034010410.db2.gz RQKPNWMYBGFJAT-AEFFLSMTSA-N 1 1 314.473 3.616 20 30 DHEDMO C[N@@H+](CCCCC1CCOCC1)CCc1cccc(C#N)c1 ZINC000879433318 1034015567 /nfs/dbraw/zinc/01/55/67/1034015567.db2.gz SSKSWSXXUFGUCL-UHFFFAOYSA-N 1 1 300.446 3.629 20 30 DHEDMO COc1ccc([C@@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC000879636215 1034067783 /nfs/dbraw/zinc/06/77/83/1034067783.db2.gz KBDBHKWRDKOEDG-QRWLVFNGSA-N 1 1 322.408 3.701 20 30 DHEDMO COc1ccc([C@@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC000879636215 1034067795 /nfs/dbraw/zinc/06/77/95/1034067795.db2.gz KBDBHKWRDKOEDG-QRWLVFNGSA-N 1 1 322.408 3.701 20 30 DHEDMO Cc1cc(C[NH2+]C[C@H](C#N)CCC#N)c(C)n1-c1ccccc1 ZINC000863387553 1034081948 /nfs/dbraw/zinc/08/19/48/1034081948.db2.gz CNINUXZQLMTGMH-KRWDZBQOSA-N 1 1 306.413 3.627 20 30 DHEDMO COc1ccccc1[C@@H]1CCC[N@@H+](CCCSCC#N)CC1 ZINC000879730114 1034101083 /nfs/dbraw/zinc/10/10/83/1034101083.db2.gz WMXBCSKHAXQDRV-MRXNPFEDSA-N 1 1 318.486 3.912 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cncc4ccccc43)sc2C1 ZINC001174098575 1034108631 /nfs/dbraw/zinc/10/86/31/1034108631.db2.gz QLEZKALAXMQEEF-UHFFFAOYSA-N 1 1 320.421 3.899 20 30 DHEDMO Cc1cncc([C@@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)c1 ZINC000879752229 1034112843 /nfs/dbraw/zinc/11/28/43/1034112843.db2.gz QJQNLOBKELNJLI-SFHVURJKSA-N 1 1 313.445 3.628 20 30 DHEDMO Cc1nc(-c2ccccc2)sc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000554487777 1034172622 /nfs/dbraw/zinc/17/26/22/1034172622.db2.gz KLPOSLIVGDHDPN-CQSZACIVSA-N 1 1 310.426 3.652 20 30 DHEDMO C=CCOCC[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000339062035 1034190284 /nfs/dbraw/zinc/19/02/84/1034190284.db2.gz WASWILQBZRGBBG-UHFFFAOYSA-N 1 1 320.483 3.741 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@H](C#N)CCC#N ZINC000554552320 1034205093 /nfs/dbraw/zinc/20/50/93/1034205093.db2.gz SFNOAPUNEWUIMI-MSOLQXFVSA-N 1 1 324.472 3.594 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000880317556 1034291212 /nfs/dbraw/zinc/29/12/12/1034291212.db2.gz PUOZDHSXOGLMFI-CQSZACIVSA-N 1 1 302.830 3.638 20 30 DHEDMO COc1cc(C#N)ccc1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174396103 1034321726 /nfs/dbraw/zinc/32/17/26/1034321726.db2.gz CVISRZIEOHVCFB-UHFFFAOYSA-N 1 1 319.408 3.769 20 30 DHEDMO N#Cc1cccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)c1F ZINC001174396620 1034322296 /nfs/dbraw/zinc/32/22/96/1034322296.db2.gz KNLHYGDEUMAQRY-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000880538892 1034354094 /nfs/dbraw/zinc/35/40/94/1034354094.db2.gz OKZOQUCLMCJBIK-VDGAXYAQSA-N 1 1 304.393 3.526 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000880538891 1034354596 /nfs/dbraw/zinc/35/45/96/1034354596.db2.gz OKZOQUCLMCJBIK-FFZOFVMBSA-N 1 1 304.393 3.526 20 30 DHEDMO CC(C)c1[nH+]c(/C=C/C(=O)c2ccnc(F)c2)c2ccccn21 ZINC000794722971 1034418416 /nfs/dbraw/zinc/41/84/16/1034418416.db2.gz ZSOSOOIALOCXMK-VOTSOKGWSA-N 1 1 309.344 3.888 20 30 DHEDMO C=CC[N@@H+](C[C@@H]1CN(Cc2ccccc2)CCCO1)C(C)(C)C ZINC001174641087 1034523538 /nfs/dbraw/zinc/52/35/38/1034523538.db2.gz AXLRPVUOHUQMFA-IBGZPJMESA-N 1 1 316.489 3.564 20 30 DHEDMO CC(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000481075795 1034575073 /nfs/dbraw/zinc/57/50/73/1034575073.db2.gz OGMUBHLDGPDQGB-CYBMUJFWSA-N 1 1 307.235 3.799 20 30 DHEDMO CC1(C)CCC(C)(C)[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001174726221 1034585504 /nfs/dbraw/zinc/58/55/04/1034585504.db2.gz UFHZHEKPHHLCHO-UHFFFAOYSA-N 1 1 313.445 3.787 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cccc4cccnc43)sc2C1 ZINC001174857016 1034647073 /nfs/dbraw/zinc/64/70/73/1034647073.db2.gz UHENPDBMOPZRTH-UHFFFAOYSA-N 1 1 320.421 3.899 20 30 DHEDMO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1N(C)C)c1nc(C)cs1 ZINC000865452005 1034653904 /nfs/dbraw/zinc/65/39/04/1034653904.db2.gz AFVSWLKPYYXAMP-OAHLLOKOSA-N 1 1 314.458 3.630 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001174892073 1034664601 /nfs/dbraw/zinc/66/46/01/1034664601.db2.gz ZFXQLONPMNMZCQ-IAGOWNOFSA-N 1 1 322.493 3.922 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)Cc1ccccc1 ZINC000555421947 1034690327 /nfs/dbraw/zinc/69/03/27/1034690327.db2.gz XOFWSCZESHZITQ-PKOBYXMFSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)Cc1ccccc1 ZINC000555421947 1034690331 /nfs/dbraw/zinc/69/03/31/1034690331.db2.gz XOFWSCZESHZITQ-PKOBYXMFSA-N 1 1 314.473 3.712 20 30 DHEDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000481259434 1034691671 /nfs/dbraw/zinc/69/16/71/1034691671.db2.gz QIWXEZNWGVZPNP-NSHDSACASA-N 1 1 307.235 3.941 20 30 DHEDMO C#CCCCCCC[N@H+](CC)[C@@H]1CCN(CC(F)(F)F)C1 ZINC001174965565 1034713262 /nfs/dbraw/zinc/71/32/62/1034713262.db2.gz NDUWXTNNUXYPIF-OAHLLOKOSA-N 1 1 304.400 3.529 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC3(CCCC3)C2)c1C#N ZINC000773428619 1034714453 /nfs/dbraw/zinc/71/44/53/1034714453.db2.gz DRHFLKUDJAVKNP-UHFFFAOYSA-N 1 1 320.440 3.819 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC3(CCCC3)C2)c1C#N ZINC000773428619 1034714468 /nfs/dbraw/zinc/71/44/68/1034714468.db2.gz DRHFLKUDJAVKNP-UHFFFAOYSA-N 1 1 320.440 3.819 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC=C(COC)CC2)cc1Cl ZINC000187616661 1034718452 /nfs/dbraw/zinc/71/84/52/1034718452.db2.gz WXROFNUJNFOBLY-UHFFFAOYSA-N 1 1 307.821 3.683 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC=C(COC)CC2)cc1Cl ZINC000187616661 1034718465 /nfs/dbraw/zinc/71/84/65/1034718465.db2.gz WXROFNUJNFOBLY-UHFFFAOYSA-N 1 1 307.821 3.683 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2n[nH]cc21 ZINC000600107593 1034735723 /nfs/dbraw/zinc/73/57/23/1034735723.db2.gz PTCKQTCLVRZRQC-UHFFFAOYSA-N 1 1 304.397 3.847 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)cc1F ZINC000600213134 1034806325 /nfs/dbraw/zinc/80/63/25/1034806325.db2.gz BWZLJLQXGMYMCP-CQSZACIVSA-N 1 1 316.401 3.757 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000481444001 1034834903 /nfs/dbraw/zinc/83/49/03/1034834903.db2.gz ZAISNXMSUXQFOE-MSOLQXFVSA-N 1 1 302.462 3.744 20 30 DHEDMO C=C(C)[C@H]([NH2+]CC(=O)NCCC(C)(C)C)c1ccc(F)c(F)c1 ZINC000481594380 1034895413 /nfs/dbraw/zinc/89/54/13/1034895413.db2.gz NNTLHSAFDCRFON-KRWDZBQOSA-N 1 1 324.415 3.724 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1ccnc(OC)c1)c1ccc(F)c(F)c1 ZINC000481606527 1034903017 /nfs/dbraw/zinc/90/30/17/1034903017.db2.gz HBJYXQASNNQMEE-KRWDZBQOSA-N 1 1 304.340 3.775 20 30 DHEDMO C=CCn1c2ccccc2nc1SCC[C@H]1CCC[N@@H+]1C ZINC000555947249 1034979470 /nfs/dbraw/zinc/97/94/70/1034979470.db2.gz KTNLUBPRFOWTOU-CQSZACIVSA-N 1 1 301.459 3.799 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)cc1C#N ZINC000556025825 1035015549 /nfs/dbraw/zinc/01/55/49/1035015549.db2.gz VKKWZBFJFYWGLN-INIZCTEOSA-N 1 1 310.372 3.695 20 30 DHEDMO C=C(Br)C[NH2+]Cc1ccc(C)cc1Br ZINC000159633289 1035075879 /nfs/dbraw/zinc/07/58/79/1035075879.db2.gz UQXBRMMFVGSWGW-UHFFFAOYSA-N 1 1 319.040 3.756 20 30 DHEDMO COc1cc2c(cc1OC)[C@@H](C)[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC001175882170 1035137921 /nfs/dbraw/zinc/13/79/21/1035137921.db2.gz DPBVPKAXZZEUDS-CQSZACIVSA-N 1 1 322.408 3.695 20 30 DHEDMO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC001175882170 1035137924 /nfs/dbraw/zinc/13/79/24/1035137924.db2.gz DPBVPKAXZZEUDS-CQSZACIVSA-N 1 1 322.408 3.695 20 30 DHEDMO CC(C)Oc1ccc([NH+]=C(NO)c2ccccc2N)cc1Cl ZINC001175871112 1035149907 /nfs/dbraw/zinc/14/99/07/1035149907.db2.gz BXQLRUGZDLRBQX-UHFFFAOYSA-N 1 1 319.792 3.767 20 30 DHEDMO CC[N@H+](Cc1cn2ccsc2n1)[C@H](C)c1ccc(C#N)cc1 ZINC000171078338 1035197477 /nfs/dbraw/zinc/19/74/77/1035197477.db2.gz KZDFBQQLMSAEIQ-CYBMUJFWSA-N 1 1 310.426 3.851 20 30 DHEDMO CC[N@@H+](Cc1cn2ccsc2n1)[C@H](C)c1ccc(C#N)cc1 ZINC000171078338 1035197481 /nfs/dbraw/zinc/19/74/81/1035197481.db2.gz KZDFBQQLMSAEIQ-CYBMUJFWSA-N 1 1 310.426 3.851 20 30 DHEDMO C[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1CCCN(c2ccccc2)C1 ZINC000482940299 1035203300 /nfs/dbraw/zinc/20/33/00/1035203300.db2.gz DTXGPJFEXWCSCB-FQEVSTJZSA-N 1 1 323.415 3.798 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)ccc1F ZINC000160603605 1035212026 /nfs/dbraw/zinc/21/20/26/1035212026.db2.gz QLLLALQFOAPFQY-UHFFFAOYSA-N 1 1 308.356 3.692 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)ccc1F ZINC000160603605 1035212029 /nfs/dbraw/zinc/21/20/29/1035212029.db2.gz QLLLALQFOAPFQY-UHFFFAOYSA-N 1 1 308.356 3.692 20 30 DHEDMO C=CCCC[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001176187353 1035215486 /nfs/dbraw/zinc/21/54/86/1035215486.db2.gz CKPJIQDGNMRCEL-AEFFLSMTSA-N 1 1 300.446 3.542 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000483109338 1035228328 /nfs/dbraw/zinc/22/83/28/1035228328.db2.gz JWTGFKRPJGVFRD-QGZVFWFLSA-N 1 1 310.372 3.566 20 30 DHEDMO C[N@H+](Cc1ccc(Br)o1)Cc1ccc(F)c(C#N)c1 ZINC000160829948 1035250867 /nfs/dbraw/zinc/25/08/67/1035250867.db2.gz DRIQLWLORRRBIW-UHFFFAOYSA-N 1 1 323.165 3.685 20 30 DHEDMO C[N@@H+](Cc1ccc(Br)o1)Cc1ccc(F)c(C#N)c1 ZINC000160829948 1035250870 /nfs/dbraw/zinc/25/08/70/1035250870.db2.gz DRIQLWLORRRBIW-UHFFFAOYSA-N 1 1 323.165 3.685 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@@H]2CCCc2ccccc2)cc1C#N ZINC000483281288 1035251579 /nfs/dbraw/zinc/25/15/79/1035251579.db2.gz BOTYNZHZJJFGML-IBGZPJMESA-N 1 1 307.441 3.884 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC#Cc1ccccc1 ZINC000483931538 1035309420 /nfs/dbraw/zinc/30/94/20/1035309420.db2.gz TXOGACGHDAKTNG-HXUWFJFHSA-N 1 1 318.464 3.635 20 30 DHEDMO OCCC[N@@H+](CC#Cc1ccccc1)Cc1cccc(Cl)c1 ZINC000484097859 1035317875 /nfs/dbraw/zinc/31/78/75/1035317875.db2.gz SGNKUIDIOTUXSH-UHFFFAOYSA-N 1 1 313.828 3.576 20 30 DHEDMO CC(C)Oc1cc(C[N@H+](CC#Cc2ccccc2)C2CC2)ccn1 ZINC000484066534 1035318529 /nfs/dbraw/zinc/31/85/29/1035318529.db2.gz LUZHYENWCFBUCL-UHFFFAOYSA-N 1 1 320.436 3.885 20 30 DHEDMO CC(C)Oc1cc(C[N@@H+](CC#Cc2ccccc2)C2CC2)ccn1 ZINC000484066534 1035318532 /nfs/dbraw/zinc/31/85/32/1035318532.db2.gz LUZHYENWCFBUCL-UHFFFAOYSA-N 1 1 320.436 3.885 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC001176816014 1035331293 /nfs/dbraw/zinc/33/12/93/1035331293.db2.gz ZKKKMSLHZAHFNL-CJNGLKHVSA-N 1 1 306.837 3.510 20 30 DHEDMO C[C@H]1CSCCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC001176827243 1035331373 /nfs/dbraw/zinc/33/13/73/1035331373.db2.gz CUVZLZCLGJFRQT-NSHDSACASA-N 1 1 314.376 3.904 20 30 DHEDMO CCOc1ccc(CC[N@@H+](C)CC#Cc2ccc(F)cc2)cc1 ZINC001176832959 1035332834 /nfs/dbraw/zinc/33/28/34/1035332834.db2.gz NSPZMAPADFEKFC-UHFFFAOYSA-N 1 1 311.400 3.750 20 30 DHEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC001176798548 1035333561 /nfs/dbraw/zinc/33/35/61/1035333561.db2.gz SIRSPDFTCOZAGY-OAHLLOKOSA-N 1 1 304.434 3.700 20 30 DHEDMO C=CCC[N@H+]1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001177022185 1035344137 /nfs/dbraw/zinc/34/41/37/1035344137.db2.gz MBHZMKHHVQKYNX-CRAIPNDOSA-N 1 1 308.466 3.579 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000904552934 1035425818 /nfs/dbraw/zinc/42/58/18/1035425818.db2.gz ZOBSFYHOXLUWRM-ZDUSSCGKSA-N 1 1 309.772 3.809 20 30 DHEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2ncncc2C)no1 ZINC000904612530 1035436004 /nfs/dbraw/zinc/43/60/04/1035436004.db2.gz LWHHPADYPQLERZ-ZDUSSCGKSA-N 1 1 303.410 3.585 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(C2(c3cc(F)ccc3C)CC2)no1 ZINC000904718761 1035444095 /nfs/dbraw/zinc/44/40/95/1035444095.db2.gz QLKGLNNUUFJISY-HNNXBMFYSA-N 1 1 315.392 3.953 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H]2CSc3ccccc32)no1 ZINC000904728997 1035448974 /nfs/dbraw/zinc/44/89/74/1035448974.db2.gz UXSNCSLBZUBMJG-OLZOCXBDSA-N 1 1 301.415 3.663 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(-n3ccc(C)n3)cc2)no1 ZINC000904736164 1035450004 /nfs/dbraw/zinc/45/00/04/1035450004.db2.gz OGFFBTSMCHUOKH-MRXNPFEDSA-N 1 1 323.400 3.587 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(C2(c3ccccc3F)CC2)no1 ZINC000904734345 1035450219 /nfs/dbraw/zinc/45/02/19/1035450219.db2.gz WXRNAMKITMRCEQ-CQSZACIVSA-N 1 1 301.365 3.645 20 30 DHEDMO C[C@H]1OCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@H]1C ZINC000485238424 1035503141 /nfs/dbraw/zinc/50/31/41/1035503141.db2.gz ZIENKZXQKZCLNM-JKSUJKDBSA-N 1 1 306.409 3.834 20 30 DHEDMO C=CC[N@@H+](Cc1c[nH]c(C(=O)OCc2ccccc2)c1)C(C)C ZINC001179997066 1035556420 /nfs/dbraw/zinc/55/64/20/1035556420.db2.gz BTTHPOSNQYFOJK-UHFFFAOYSA-N 1 1 312.413 3.768 20 30 DHEDMO C#C[C@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)cs1)[C@H]1CCCO1 ZINC000775573645 1035562863 /nfs/dbraw/zinc/56/28/63/1035562863.db2.gz ILJNITNRIXWHPZ-JLJPHGGASA-N 1 1 312.438 3.642 20 30 DHEDMO C#CC[N@H+](Cc1ccnn1-c1ccccc1C)C1CCCCC1 ZINC001180030455 1035569714 /nfs/dbraw/zinc/56/97/14/1035569714.db2.gz MEYNJXAILMUGBE-UHFFFAOYSA-N 1 1 307.441 3.949 20 30 DHEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC001180077312 1035586326 /nfs/dbraw/zinc/58/63/26/1035586326.db2.gz PLSQJAIXIJIRIP-GOSISDBHSA-N 1 1 305.425 3.614 20 30 DHEDMO C=C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)c1ccccc1 ZINC000535383824 1035602814 /nfs/dbraw/zinc/60/28/14/1035602814.db2.gz QSNKTAMPOLYSRV-LMMKCTJWSA-N 1 1 314.473 3.678 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)cc1C#N ZINC000535387316 1035606856 /nfs/dbraw/zinc/60/68/56/1035606856.db2.gz MEEJWAAWKQRNQM-KXBFYZLASA-N 1 1 306.409 3.945 20 30 DHEDMO C=CCCCCC[N@H+](C)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001180198739 1035628062 /nfs/dbraw/zinc/62/80/62/1035628062.db2.gz JAZCJUSUCUWZHL-IYBDPMFKSA-N 1 1 310.482 3.968 20 30 DHEDMO COc1cccc(OC)c1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC001180323055 1035654764 /nfs/dbraw/zinc/65/47/64/1035654764.db2.gz WCWPPSYEOBBZKU-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO COc1cccc(OC)c1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC001180323055 1035654774 /nfs/dbraw/zinc/65/47/74/1035654774.db2.gz WCWPPSYEOBBZKU-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2OC)C1 ZINC000668493673 1035669593 /nfs/dbraw/zinc/66/95/93/1035669593.db2.gz QGTWYMCLBMPBGR-AWEZNQCLSA-N 1 1 305.418 3.501 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)CC1(O)CCCCCC1 ZINC001193616090 1035676809 /nfs/dbraw/zinc/67/68/09/1035676809.db2.gz IOWPXTRJBZHUKS-UHFFFAOYSA-N 1 1 300.446 3.692 20 30 DHEDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001193807288 1035739240 /nfs/dbraw/zinc/73/92/40/1035739240.db2.gz KFZGCCIJIYSNBK-HNNXBMFYSA-N 1 1 301.390 3.725 20 30 DHEDMO C=CC[N@@H+](C)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000494674072 1035768628 /nfs/dbraw/zinc/76/86/28/1035768628.db2.gz UCYRLMIWJGLFEA-UHFFFAOYSA-N 1 1 310.397 3.925 20 30 DHEDMO CC1(C)C[N@H+](Cc2ccc(C#N)c(F)c2)CC2(CCCC2)O1 ZINC000192216460 1035781921 /nfs/dbraw/zinc/78/19/21/1035781921.db2.gz GMIPWXIBISUQIB-UHFFFAOYSA-N 1 1 302.393 3.621 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)CC2(CCCC2)O1 ZINC000192216460 1035781939 /nfs/dbraw/zinc/78/19/39/1035781939.db2.gz GMIPWXIBISUQIB-UHFFFAOYSA-N 1 1 302.393 3.621 20 30 DHEDMO CCc1ccc([C@H](COC)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000539608503 1035792864 /nfs/dbraw/zinc/79/28/64/1035792864.db2.gz OPGAWSQPAGJRHH-PXAZEXFGSA-N 1 1 316.376 3.891 20 30 DHEDMO C=C(C)C[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)Cc1ccccc1 ZINC001194052063 1035814979 /nfs/dbraw/zinc/81/49/79/1035814979.db2.gz NJCYDTAPBQNRNF-SFHVURJKSA-N 1 1 316.489 3.958 20 30 DHEDMO C=C(C)C[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)Cc1ccccc1 ZINC001194052063 1035814987 /nfs/dbraw/zinc/81/49/87/1035814987.db2.gz NJCYDTAPBQNRNF-SFHVURJKSA-N 1 1 316.489 3.958 20 30 DHEDMO CCC1CCC([N@@H+](CCO)Cc2c(C)cc(C#N)cc2C)CC1 ZINC001194067000 1035822005 /nfs/dbraw/zinc/82/20/05/1035822005.db2.gz UYUPOMNKNWBVGB-UHFFFAOYSA-N 1 1 314.473 3.938 20 30 DHEDMO C=CCCC[N@H+](C)CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000485690658 1035862887 /nfs/dbraw/zinc/86/28/87/1035862887.db2.gz WGLLDQOIWBGKLR-UHFFFAOYSA-N 1 1 310.825 3.575 20 30 DHEDMO C=C(C)C[N@H+](Cc1cc(C)c(C(=O)OC)[nH]1)Cc1ccccc1 ZINC001181409379 1035914616 /nfs/dbraw/zinc/91/46/16/1035914616.db2.gz CDAVFXZOIRWVFO-UHFFFAOYSA-N 1 1 312.413 3.688 20 30 DHEDMO CCCOc1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC000539912661 1035933826 /nfs/dbraw/zinc/93/38/26/1035933826.db2.gz OWBITGINTRXEBZ-UHFFFAOYSA-N 1 1 312.438 3.967 20 30 DHEDMO CCCOc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)s1)C2 ZINC000539912661 1035933831 /nfs/dbraw/zinc/93/38/31/1035933831.db2.gz OWBITGINTRXEBZ-UHFFFAOYSA-N 1 1 312.438 3.967 20 30 DHEDMO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CCC(C)(C)C#N ZINC001194553262 1035958664 /nfs/dbraw/zinc/95/86/64/1035958664.db2.gz WHTVUSQAOWJOGE-CQSZACIVSA-N 1 1 305.853 3.790 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)Cc2cccc3c2OCO3)cc1 ZINC001204302503 1035963452 /nfs/dbraw/zinc/96/34/52/1035963452.db2.gz KTUZDJJFAODJQZ-UHFFFAOYSA-N 1 1 311.381 3.612 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC001194704881 1035986595 /nfs/dbraw/zinc/98/65/95/1035986595.db2.gz YIIRZWZWDQYLAU-LJQANCHMSA-N 1 1 303.446 3.774 20 30 DHEDMO C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000540314750 1036036388 /nfs/dbraw/zinc/03/63/88/1036036388.db2.gz WSFMMBJNWKWTJN-IIBYNOLFSA-N 1 1 319.452 3.655 20 30 DHEDMO N#Cc1ccc(C=CNc2ccnc(-c3cc(N)cc[nH+]3)c2)cc1 ZINC001203297931 1036041727 /nfs/dbraw/zinc/04/17/27/1036041727.db2.gz CTZFBZWABKNJLZ-VMPITWQZSA-N 1 1 313.364 3.680 20 30 DHEDMO C=C(Br)C[N@@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000761740307 1036049115 /nfs/dbraw/zinc/04/91/15/1036049115.db2.gz LOXCCAYBZCMNBN-LBPRGKRZSA-N 1 1 312.251 3.714 20 30 DHEDMO C=C(Br)C[N@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000761740307 1036049133 /nfs/dbraw/zinc/04/91/33/1036049133.db2.gz LOXCCAYBZCMNBN-LBPRGKRZSA-N 1 1 312.251 3.714 20 30 DHEDMO CCC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccccc1 ZINC000540341353 1036049379 /nfs/dbraw/zinc/04/93/79/1036049379.db2.gz GWZWXJQUBCKVPJ-LJQANCHMSA-N 1 1 322.408 3.976 20 30 DHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000494950572 1036148575 /nfs/dbraw/zinc/14/85/75/1036148575.db2.gz HKIFSLFMXFHTAB-CABCVRRESA-N 1 1 323.481 3.551 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](CCF)C2)cc1OC ZINC000668591759 1036149957 /nfs/dbraw/zinc/14/99/57/1036149957.db2.gz BYYSXFGUTJSLJI-OAHLLOKOSA-N 1 1 307.409 3.832 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H](C(C)C)CC2)c1=S ZINC000153280917 1036195185 /nfs/dbraw/zinc/19/51/85/1036195185.db2.gz FKDIBCADVJJVQD-OAHLLOKOSA-N 1 1 308.495 3.624 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H](C(C)C)CC2)c1=S ZINC000153280917 1036195190 /nfs/dbraw/zinc/19/51/90/1036195190.db2.gz FKDIBCADVJJVQD-OAHLLOKOSA-N 1 1 308.495 3.624 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c(Cl)c1 ZINC000595503427 1036206076 /nfs/dbraw/zinc/20/60/76/1036206076.db2.gz VCWUJIHIDIZMAR-INIZCTEOSA-N 1 1 311.816 3.986 20 30 DHEDMO CC[N@@H+](CCCc1ccccc1Br)C[C@H](C)C#N ZINC000541271146 1036282111 /nfs/dbraw/zinc/28/21/11/1036282111.db2.gz JAMCWCYMNOMBLS-CYBMUJFWSA-N 1 1 309.251 3.863 20 30 DHEDMO CCC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000541348491 1036305399 /nfs/dbraw/zinc/30/53/99/1036305399.db2.gz PCVWNWQKLKBLLG-GUDVDZBRSA-N 1 1 312.457 3.778 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1nc2ccc(Cl)cc2n1C ZINC000774394262 1036316434 /nfs/dbraw/zinc/31/64/34/1036316434.db2.gz OQFPOYLVIOWPNG-LBPRGKRZSA-N 1 1 324.815 3.949 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1nc2ccc(Cl)cc2n1C ZINC000774394261 1036317051 /nfs/dbraw/zinc/31/70/51/1036317051.db2.gz OQFPOYLVIOWPNG-GFCCVEGCSA-N 1 1 324.815 3.949 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cnc(-c2ccccc2)[nH]1 ZINC000495201594 1036341874 /nfs/dbraw/zinc/34/18/74/1036341874.db2.gz NRYMISBVNJRRQZ-UHFFFAOYSA-N 1 1 307.397 3.900 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1c[nH]c(-c2ccccc2)n1 ZINC000495201594 1036341904 /nfs/dbraw/zinc/34/19/04/1036341904.db2.gz NRYMISBVNJRRQZ-UHFFFAOYSA-N 1 1 307.397 3.900 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1c[nH]c(-c2ccccc2)n1 ZINC000495201594 1036341910 /nfs/dbraw/zinc/34/19/10/1036341910.db2.gz NRYMISBVNJRRQZ-UHFFFAOYSA-N 1 1 307.397 3.900 20 30 DHEDMO N#CC1(CCCCN2CCC[C@H]([NH+]3CCCC3)CC2)CCC1 ZINC000929689200 1036353237 /nfs/dbraw/zinc/35/32/37/1036353237.db2.gz WTAGVVRFTVPDEP-SFHVURJKSA-N 1 1 303.494 3.801 20 30 DHEDMO Cc1cc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)ccc1C#N ZINC000487864260 1036359885 /nfs/dbraw/zinc/35/98/85/1036359885.db2.gz BCPKSBKLJKMODK-HXUWFJFHSA-N 1 1 306.409 3.613 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2nccnc2c1 ZINC001182500560 1036365255 /nfs/dbraw/zinc/36/52/55/1036365255.db2.gz VXYSBCYXIYUOOA-AWEZNQCLSA-N 1 1 302.381 3.694 20 30 DHEDMO COC(=O)C[N@@H+](CCCCC1(C#N)CCC1)C1CCCCC1 ZINC001195963017 1036394586 /nfs/dbraw/zinc/39/45/86/1036394586.db2.gz GUHCSEVBPFCKHG-UHFFFAOYSA-N 1 1 306.450 3.658 20 30 DHEDMO CC(C)[N@@H+](C)CC1CCN(c2nc3ccccc3cc2C#N)CC1 ZINC000774517717 1036394899 /nfs/dbraw/zinc/39/48/99/1036394899.db2.gz IMUUUFCGGOKNAR-UHFFFAOYSA-N 1 1 322.456 3.663 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC001195946703 1036401703 /nfs/dbraw/zinc/40/17/03/1036401703.db2.gz MMYDVVUCGYLTLY-RHSMWYFYSA-N 1 1 318.848 3.733 20 30 DHEDMO CCC[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000541697932 1036404940 /nfs/dbraw/zinc/40/49/40/1036404940.db2.gz QRYCXEFAWMGAAR-HNNXBMFYSA-N 1 1 319.836 3.805 20 30 DHEDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)c1 ZINC000609133234 1036405825 /nfs/dbraw/zinc/40/58/25/1036405825.db2.gz YEXSUNJYYFSPMA-LJQANCHMSA-N 1 1 324.399 3.913 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC001195956227 1036406383 /nfs/dbraw/zinc/40/63/83/1036406383.db2.gz XRCFHJAMWYWCFW-LJQANCHMSA-N 1 1 322.383 3.583 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000774541496 1036445902 /nfs/dbraw/zinc/44/59/02/1036445902.db2.gz QXDRGCKZDXZENK-KRWDZBQOSA-N 1 1 316.445 3.938 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc(C#N)cc1F ZINC000541904649 1036457934 /nfs/dbraw/zinc/45/79/34/1036457934.db2.gz NPSIRWWFJZGTSG-ORAYPTAESA-N 1 1 309.388 3.535 20 30 DHEDMO CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC#N)CC1 ZINC000541950843 1036469027 /nfs/dbraw/zinc/46/90/27/1036469027.db2.gz QDYAZKHIAVPADC-HNNXBMFYSA-N 1 1 313.445 3.763 20 30 DHEDMO CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC#N)CC1 ZINC000541950844 1036469334 /nfs/dbraw/zinc/46/93/34/1036469334.db2.gz QDYAZKHIAVPADC-OAHLLOKOSA-N 1 1 313.445 3.763 20 30 DHEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1CCOc1ccc(C#N)cc1OC ZINC001196328827 1036507182 /nfs/dbraw/zinc/50/71/82/1036507182.db2.gz IHPKFAITZCJREY-GOEBONIOSA-N 1 1 302.418 3.599 20 30 DHEDMO C[C@H]1COC2(CCCC2)C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001196402767 1036522831 /nfs/dbraw/zinc/52/28/31/1036522831.db2.gz NXRUDMSQTUUTJS-HNNXBMFYSA-N 1 1 303.833 3.725 20 30 DHEDMO C[C@H]1COC2(CCCC2)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001196402767 1036522836 /nfs/dbraw/zinc/52/28/36/1036522836.db2.gz NXRUDMSQTUUTJS-HNNXBMFYSA-N 1 1 303.833 3.725 20 30 DHEDMO C[C@H](NCc1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272236929 1036530445 /nfs/dbraw/zinc/53/04/45/1036530445.db2.gz VRRAOXBYALIKFR-LAUBAEHRSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@H](NCc1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272236929 1036530450 /nfs/dbraw/zinc/53/04/50/1036530450.db2.gz VRRAOXBYALIKFR-LAUBAEHRSA-N 1 1 319.452 3.558 20 30 DHEDMO CCOc1cccc(F)c1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC001183428499 1036592070 /nfs/dbraw/zinc/59/20/70/1036592070.db2.gz HTMNXHQQVMNQAS-UHFFFAOYSA-N 1 1 312.388 3.771 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(C#N)c(C)c3)C2)cc1 ZINC000487908216 1036635680 /nfs/dbraw/zinc/63/56/80/1036635680.db2.gz JQDIFLFSPMMODZ-IBGZPJMESA-N 1 1 306.409 3.865 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C#N)c(C)c3)C2)cc1 ZINC000487908221 1036636100 /nfs/dbraw/zinc/63/61/00/1036636100.db2.gz JQDIFLFSPMMODZ-LJQANCHMSA-N 1 1 306.409 3.865 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000487303433 1036652928 /nfs/dbraw/zinc/65/29/28/1036652928.db2.gz APNNRPGJLJFAIS-YOEHRIQHSA-N 1 1 300.446 3.675 20 30 DHEDMO CC[N@H+](Cc1ccc(C#N)cc1F)C[C@@H](O)c1ccc(C)cc1 ZINC000174734149 1036687035 /nfs/dbraw/zinc/68/70/35/1036687035.db2.gz GVOKRAZBNBAWEQ-LJQANCHMSA-N 1 1 312.388 3.561 20 30 DHEDMO CCCCCCCC[C@@H]1C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C ZINC001273737094 1036688057 /nfs/dbraw/zinc/68/80/57/1036688057.db2.gz AXJCADHCNZJCKB-BDXSIMOUSA-N 1 1 306.494 3.678 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000153296101 1036716226 /nfs/dbraw/zinc/71/62/26/1036716226.db2.gz HRIQDHARDZNUBD-LBPRGKRZSA-N 1 1 324.350 3.504 20 30 DHEDMO C=CCCCCC[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000487931526 1036784163 /nfs/dbraw/zinc/78/41/63/1036784163.db2.gz PGVHPWUMUQIJAO-UHFFFAOYSA-N 1 1 302.462 3.957 20 30 DHEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2(C)C)nn1 ZINC000653769118 1036908201 /nfs/dbraw/zinc/90/82/01/1036908201.db2.gz WTGIMMMQITUQLB-GOSISDBHSA-N 1 1 310.445 3.622 20 30 DHEDMO C=CCC[C@H]1CCC[N@H+]1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC001198414415 1037015198 /nfs/dbraw/zinc/01/51/98/1037015198.db2.gz RBDNSQBCQQIYRV-AZUAARDMSA-N 1 1 312.457 3.685 20 30 DHEDMO N#CCc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000237835951 1037029150 /nfs/dbraw/zinc/02/91/50/1037029150.db2.gz MHOPQSKYGWAPFL-HXUWFJFHSA-N 1 1 305.425 3.829 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC001198492201 1037035763 /nfs/dbraw/zinc/03/57/63/1037035763.db2.gz ZRTRTVWIDXOAKE-LJQANCHMSA-N 1 1 320.436 3.866 20 30 DHEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC001198492201 1037035779 /nfs/dbraw/zinc/03/57/79/1037035779.db2.gz ZRTRTVWIDXOAKE-LJQANCHMSA-N 1 1 320.436 3.866 20 30 DHEDMO CC[N@@H+](CCNc1cc(C(F)(F)F)c(F)cc1C#N)C1CC1 ZINC001185180151 1037056334 /nfs/dbraw/zinc/05/63/34/1037056334.db2.gz JTNZYIPWTWGUMG-UHFFFAOYSA-N 1 1 315.314 3.612 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001198563133 1037060583 /nfs/dbraw/zinc/06/05/83/1037060583.db2.gz IIFQLHCYXDNVKL-MSOLQXFVSA-N 1 1 317.860 3.830 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000488553668 1037072505 /nfs/dbraw/zinc/07/25/05/1037072505.db2.gz LPLQGMUAAMYEGB-KGLIPLIRSA-N 1 1 308.853 3.804 20 30 DHEDMO CC(C)(C)[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC001198799967 1037138285 /nfs/dbraw/zinc/13/82/85/1037138285.db2.gz GNAPCJPIGRCTIO-KRWDZBQOSA-N 1 1 305.849 3.829 20 30 DHEDMO CC(C)(C)[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC001198799967 1037138294 /nfs/dbraw/zinc/13/82/94/1037138294.db2.gz GNAPCJPIGRCTIO-KRWDZBQOSA-N 1 1 305.849 3.829 20 30 DHEDMO Cc1cn2cc(Nc3nc(C(F)(F)F)ccc3C#N)ccc2[nH+]1 ZINC001185438308 1037139734 /nfs/dbraw/zinc/13/97/34/1037139734.db2.gz CFSNOQPHUIYJIS-UHFFFAOYSA-N 1 1 317.274 3.672 20 30 DHEDMO C=C(C)C[N@H+]1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001198838430 1037152195 /nfs/dbraw/zinc/15/21/95/1037152195.db2.gz YLSRGVUOWJJDMU-QAPCUYQASA-N 1 1 308.466 3.579 20 30 DHEDMO C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000131184971 1037156136 /nfs/dbraw/zinc/15/61/36/1037156136.db2.gz JWPZPTMXHPPPKP-UHFFFAOYSA-N 1 1 320.371 3.719 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000489420594 1037420929 /nfs/dbraw/zinc/42/09/29/1037420929.db2.gz AEUMNDWOLJQFHM-LBPRGKRZSA-N 1 1 305.328 3.555 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000489420594 1037420937 /nfs/dbraw/zinc/42/09/37/1037420937.db2.gz AEUMNDWOLJQFHM-LBPRGKRZSA-N 1 1 305.328 3.555 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc2ccccc21 ZINC000489426899 1037423501 /nfs/dbraw/zinc/42/35/01/1037423501.db2.gz NDWMJUKDLXKLCU-MSOLQXFVSA-N 1 1 311.425 3.620 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000489426588 1037424511 /nfs/dbraw/zinc/42/45/11/1037424511.db2.gz BZJTWRSFSABHOW-AWEZNQCLSA-N 1 1 301.365 3.725 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000489426588 1037424521 /nfs/dbraw/zinc/42/45/21/1037424521.db2.gz BZJTWRSFSABHOW-AWEZNQCLSA-N 1 1 301.365 3.725 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000489426591 1037424770 /nfs/dbraw/zinc/42/47/70/1037424770.db2.gz BZJTWRSFSABHOW-CQSZACIVSA-N 1 1 301.365 3.725 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000489426591 1037424778 /nfs/dbraw/zinc/42/47/78/1037424778.db2.gz BZJTWRSFSABHOW-CQSZACIVSA-N 1 1 301.365 3.725 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](C)c1ccccc1Cl ZINC000489438206 1037432231 /nfs/dbraw/zinc/43/22/31/1037432231.db2.gz PADICFXFAZHPNM-ZIAGYGMSSA-N 1 1 306.837 3.558 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H](C)c1ccccc1Cl ZINC000489438206 1037432239 /nfs/dbraw/zinc/43/22/39/1037432239.db2.gz PADICFXFAZHPNM-ZIAGYGMSSA-N 1 1 306.837 3.558 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000489466163 1037445609 /nfs/dbraw/zinc/44/56/09/1037445609.db2.gz WNVHGLQMUMFHJD-SFHVURJKSA-N 1 1 324.424 3.750 20 30 DHEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000489547247 1037474286 /nfs/dbraw/zinc/47/42/86/1037474286.db2.gz ITOQRNRRLVIQIM-LJQANCHMSA-N 1 1 324.399 3.913 20 30 DHEDMO C[N@H+](Cc1ccc2ccccc2c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763225373 1037519603 /nfs/dbraw/zinc/51/96/03/1037519603.db2.gz LWNHVYLRHNFRHP-OAQYLSRUSA-N 1 1 316.404 3.877 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000490029218 1037582388 /nfs/dbraw/zinc/58/23/88/1037582388.db2.gz XISBXWGUOIAMSH-IBGZPJMESA-N 1 1 321.424 3.514 20 30 DHEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](CC1CCCCC1)C2 ZINC001201389032 1037647592 /nfs/dbraw/zinc/64/75/92/1037647592.db2.gz JJXUWLOHGVUDAR-IBGZPJMESA-N 1 1 304.478 3.600 20 30 DHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CC1CCCCC1)CCO2 ZINC001201392538 1037651426 /nfs/dbraw/zinc/65/14/26/1037651426.db2.gz AMTAYNQFWQOFRQ-RBUKOAKNSA-N 1 1 307.478 3.640 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000775136827 1037688360 /nfs/dbraw/zinc/68/83/60/1037688360.db2.gz MFNFCUSUGLWAGB-OAHLLOKOSA-N 1 1 311.347 3.863 20 30 DHEDMO CCN(CCO)c1ccc(C=[NH+]Nc2cccc(C)c2)c(C)c1 ZINC000916255156 1037718011 /nfs/dbraw/zinc/71/80/11/1037718011.db2.gz GCBNQANADAWGCE-UHFFFAOYSA-N 1 1 311.429 3.568 20 30 DHEDMO CC(=[NH+]Nc1ccc(C)cc1)c1ccc(N2CCOCC2)cc1 ZINC000916250630 1037724147 /nfs/dbraw/zinc/72/41/47/1037724147.db2.gz PPIUHEKAUYYUSV-UHFFFAOYSA-N 1 1 309.413 3.668 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000490522826 1037725733 /nfs/dbraw/zinc/72/57/33/1037725733.db2.gz VYFWKPHWVCFRNS-PXNSSMCTSA-N 1 1 314.473 3.760 20 30 DHEDMO CCC[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000490541632 1037734139 /nfs/dbraw/zinc/73/41/39/1037734139.db2.gz IWQNORZIHYNJQB-QGZVFWFLSA-N 1 1 322.456 3.971 20 30 DHEDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000490649381 1037762863 /nfs/dbraw/zinc/76/28/63/1037762863.db2.gz OOHMNNJLPDKGGA-UHFFFAOYSA-N 1 1 316.445 3.651 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@H+](C[C@H](CC)CCCC)C2)C1=O ZINC001201559642 1037778517 /nfs/dbraw/zinc/77/85/17/1037778517.db2.gz MMDVCUYFVJIAJX-IEBWSBKVSA-N 1 1 306.494 3.703 20 30 DHEDMO CCC[N@H+](Cc1ccc(F)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763396167 1037825715 /nfs/dbraw/zinc/82/57/15/1037825715.db2.gz BZGVYPJMPCAOGA-LJQANCHMSA-N 1 1 312.388 3.643 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000185649562 1037826061 /nfs/dbraw/zinc/82/60/61/1037826061.db2.gz FOWVKFIJUUMWFN-ROUUACIJSA-N 1 1 314.473 3.712 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000763411520 1037830164 /nfs/dbraw/zinc/83/01/64/1037830164.db2.gz AACCLYJPDNCRJV-VQTJNVASSA-N 1 1 324.399 3.958 20 30 DHEDMO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)ccc1C#N ZINC000488173434 1037851778 /nfs/dbraw/zinc/85/17/78/1037851778.db2.gz VAYUSGWVDXDEQZ-RDTXWAMCSA-N 1 1 312.438 3.890 20 30 DHEDMO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)ccc1C#N ZINC000488173434 1037851800 /nfs/dbraw/zinc/85/18/00/1037851800.db2.gz VAYUSGWVDXDEQZ-RDTXWAMCSA-N 1 1 312.438 3.890 20 30 DHEDMO CCCCCCC[N@H+]1CCn2cnc(COCC3CC3)c2C1 ZINC001201762655 1037883962 /nfs/dbraw/zinc/88/39/62/1037883962.db2.gz QPLOAORYYCRRKC-UHFFFAOYSA-N 1 1 305.466 3.596 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001201762866 1037884430 /nfs/dbraw/zinc/88/44/30/1037884430.db2.gz YBHJJLZSXRMSEV-PMACEKPBSA-N 1 1 322.537 3.637 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@H](N2Cc3c(cccc3F)C2=O)C1 ZINC001201797683 1037895597 /nfs/dbraw/zinc/89/55/97/1037895597.db2.gz CQBCEGYOYHPZEW-OAHLLOKOSA-N 1 1 318.436 3.826 20 30 DHEDMO CCCCCCCC[N@@H+]1Cc2ccnn2C[C@H](COCC)C1 ZINC001201814737 1037901511 /nfs/dbraw/zinc/90/15/11/1037901511.db2.gz SGQZQVVFPLBNFA-QGZVFWFLSA-N 1 1 307.482 3.712 20 30 DHEDMO CCCCCCCC[N@@H+]1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001201814686 1037901895 /nfs/dbraw/zinc/90/18/95/1037901895.db2.gz RSEPTARUCICSOF-QGZVFWFLSA-N 1 1 307.482 3.716 20 30 DHEDMO CCCCCCCN1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001201776614 1037904567 /nfs/dbraw/zinc/90/45/67/1037904567.db2.gz HBURIIVROXHTOE-UHFFFAOYSA-N 1 1 306.498 3.509 20 30 DHEDMO CCCCCCC[N@@H+]1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001201787901 1037909492 /nfs/dbraw/zinc/90/94/92/1037909492.db2.gz PKWZVURCQCYCMU-KRWDZBQOSA-N 1 1 309.475 3.505 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001201787901 1037909506 /nfs/dbraw/zinc/90/95/06/1037909506.db2.gz PKWZVURCQCYCMU-KRWDZBQOSA-N 1 1 309.475 3.505 20 30 DHEDMO CCCCCCCCC[N@@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001201839611 1037918786 /nfs/dbraw/zinc/91/87/86/1037918786.db2.gz NXZISQLWSBBWBZ-MRXNPFEDSA-N 1 1 307.482 3.716 20 30 DHEDMO CCCCCCCCC[N@@H+]1CCn2cc(C(=O)OCC)nc2C1 ZINC001201847008 1037921877 /nfs/dbraw/zinc/92/18/77/1037921877.db2.gz QWCHSVWHLCVFQG-UHFFFAOYSA-N 1 1 321.465 3.626 20 30 DHEDMO CCCCCCCCC[N@H+]1CCn2cc(C(=O)OCC)nc2C1 ZINC001201847008 1037921888 /nfs/dbraw/zinc/92/18/88/1037921888.db2.gz QWCHSVWHLCVFQG-UHFFFAOYSA-N 1 1 321.465 3.626 20 30 DHEDMO CCCCCCCCCC[N@H+]1CCc2c(nnn2C)[C@H]1COC ZINC001201875285 1037927685 /nfs/dbraw/zinc/92/76/85/1037927685.db2.gz UAQOUMDYFUJOPY-QGZVFWFLSA-N 1 1 322.497 3.501 20 30 DHEDMO CCCCCCCCCC[N@@H+]1CCc2c(nnn2C)[C@H]1COC ZINC001201875285 1037927680 /nfs/dbraw/zinc/92/76/80/1037927680.db2.gz UAQOUMDYFUJOPY-QGZVFWFLSA-N 1 1 322.497 3.501 20 30 DHEDMO C=CCOc1cccc(C[N@H+](C)Cc2ccc(O)c(OC)c2)c1 ZINC000125960879 1037994643 /nfs/dbraw/zinc/99/46/43/1037994643.db2.gz MTPUOAMLUCRKBF-UHFFFAOYSA-N 1 1 313.397 3.598 20 30 DHEDMO C=CCOC(=O)N1CCC2(CCC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001202055871 1037996680 /nfs/dbraw/zinc/99/66/80/1037996680.db2.gz VNDUUTRPXYFWNV-UHFFFAOYSA-N 1 1 322.493 3.923 20 30 DHEDMO C[N@H+](CCCC#N)Cc1cc(Br)ccc1Cl ZINC000494241722 1037998551 /nfs/dbraw/zinc/99/85/51/1037998551.db2.gz NQARTSUBXFCRND-UHFFFAOYSA-N 1 1 301.615 3.838 20 30 DHEDMO C[N@@H+](CCCC#N)Cc1cc(Br)ccc1Cl ZINC000494241722 1037998563 /nfs/dbraw/zinc/99/85/63/1037998563.db2.gz NQARTSUBXFCRND-UHFFFAOYSA-N 1 1 301.615 3.838 20 30 DHEDMO CCC[N@@H+](CCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000055058863 1038028380 /nfs/dbraw/zinc/02/83/80/1038028380.db2.gz PATAASCVOMLCCO-UHFFFAOYSA-N 1 1 302.418 3.502 20 30 DHEDMO C=CCCC[N@H+](C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000126066204 1038031442 /nfs/dbraw/zinc/03/14/42/1038031442.db2.gz OEZHQDBTZXLMCS-OAHLLOKOSA-N 1 1 301.352 3.507 20 30 DHEDMO CCC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C(C)C ZINC000570939755 1038044219 /nfs/dbraw/zinc/04/42/19/1038044219.db2.gz MAIYHPVQGPFZKR-UHFFFAOYSA-N 1 1 311.429 3.858 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(C)cc(OC)c1O ZINC000164221162 1038102463 /nfs/dbraw/zinc/10/24/63/1038102463.db2.gz PCRFZIJHYQNNEH-UHFFFAOYSA-N 1 1 322.408 3.769 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)Cc2ccccc21 ZINC000917039367 1038123029 /nfs/dbraw/zinc/12/30/29/1038123029.db2.gz AQQCYOYVMFELGZ-MRXNPFEDSA-N 1 1 306.409 3.946 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000571294774 1038125541 /nfs/dbraw/zinc/12/55/41/1038125541.db2.gz FBWJKIODDJEERB-LBPRGKRZSA-N 1 1 301.615 3.884 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)Cc1ncc(-c2ccccc2C)o1 ZINC000571501527 1038150206 /nfs/dbraw/zinc/15/02/06/1038150206.db2.gz CZFAJVNWZDPRBR-UHFFFAOYSA-N 1 1 313.445 3.590 20 30 DHEDMO C=CC[N@@H+](CC(=O)NCC1(c2ccccc2)CCCC1)C(C)C ZINC000917069328 1038166435 /nfs/dbraw/zinc/16/64/35/1038166435.db2.gz NOUUBBYMGWTOLQ-UHFFFAOYSA-N 1 1 314.473 3.511 20 30 DHEDMO C=CC[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C(C)C ZINC000917069393 1038167204 /nfs/dbraw/zinc/16/72/04/1038167204.db2.gz OIPPTPBAJPOOGB-ZDUSSCGKSA-N 1 1 318.244 3.630 20 30 DHEDMO C#CCOc1ccc([C@H](C)NC2CC[NH+](CCCC)CC2)cc1 ZINC000164463525 1038191655 /nfs/dbraw/zinc/19/16/55/1038191655.db2.gz FGCYUIBHPLMUGY-KRWDZBQOSA-N 1 1 314.473 3.614 20 30 DHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCCCCC#N ZINC000588150435 1038247774 /nfs/dbraw/zinc/24/77/74/1038247774.db2.gz QBWRQYIGHIXAEZ-UHFFFAOYSA-N 1 1 315.461 3.617 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(-c2ccc(F)cc2C)o1)[C@@H]1CCCO1 ZINC000775342369 1038252767 /nfs/dbraw/zinc/25/27/67/1038252767.db2.gz QSBNZMGJHUPQKN-HKUYNNGSSA-N 1 1 313.372 3.665 20 30 DHEDMO C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CCCC[N@@H+]1C(C)C ZINC001190642588 1038361390 /nfs/dbraw/zinc/36/13/90/1038361390.db2.gz DWOLDBJQWKDPIL-FQEVSTJZSA-N 1 1 311.473 3.809 20 30 DHEDMO C=C(Cl)CN[C@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000775412864 1038383354 /nfs/dbraw/zinc/38/33/54/1038383354.db2.gz YSROPAINASQMTC-CQSZACIVSA-N 1 1 310.869 3.940 20 30 DHEDMO C=C(Cl)CN[C@@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000775412863 1038383476 /nfs/dbraw/zinc/38/34/76/1038383476.db2.gz YSROPAINASQMTC-AWEZNQCLSA-N 1 1 310.869 3.940 20 30 DHEDMO Cc1ccc([C@H](C)[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000164951676 1038388983 /nfs/dbraw/zinc/38/89/83/1038388983.db2.gz SYJNNWMEUYVCKV-INIZCTEOSA-N 1 1 321.424 3.888 20 30 DHEDMO Cc1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1C ZINC000588980530 1038415060 /nfs/dbraw/zinc/41/50/60/1038415060.db2.gz WPBSNHQRTLJRQU-UHFFFAOYSA-N 1 1 308.425 3.824 20 30 DHEDMO C#CCCCCCC[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001191416503 1038500565 /nfs/dbraw/zinc/50/05/65/1038500565.db2.gz IYFHGDUYILUAHZ-UHFFFAOYSA-N 1 1 322.493 3.901 20 30 DHEDMO C=CCOc1ccc(CN[C@@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000589639797 1038525150 /nfs/dbraw/zinc/52/51/50/1038525150.db2.gz VPYRAUHDCGXPRN-HNNXBMFYSA-N 1 1 322.880 3.869 20 30 DHEDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCCO1 ZINC000590211156 1038606415 /nfs/dbraw/zinc/60/64/15/1038606415.db2.gz MPEOFMBAVDSRSD-GOSISDBHSA-N 1 1 300.446 3.735 20 30 DHEDMO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001192302871 1038633599 /nfs/dbraw/zinc/63/35/99/1038633599.db2.gz NFMCGIUZPTVWEK-ARGWCVDVSA-N 1 1 324.399 3.739 20 30 DHEDMO N#CCCCC[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000057620400 1038690894 /nfs/dbraw/zinc/69/08/94/1038690894.db2.gz HNXWFQBYULBJPS-UHFFFAOYSA-N 1 1 307.441 3.651 20 30 DHEDMO COC[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000590765557 1038699423 /nfs/dbraw/zinc/69/94/23/1038699423.db2.gz ZCWOWRXVKQDJFI-KRWDZBQOSA-N 1 1 300.446 3.736 20 30 DHEDMO N#Cc1cccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)c1 ZINC001203764445 1038699493 /nfs/dbraw/zinc/69/94/93/1038699493.db2.gz HKKXIHVAEZVNLZ-UHFFFAOYSA-N 1 1 319.383 3.755 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000760884007 1038962997 /nfs/dbraw/zinc/96/29/97/1038962997.db2.gz HLYIHRXWCLGMAR-SLFFLAALSA-N 1 1 317.473 3.682 20 30 DHEDMO COCC[N@@H+](Cc1cccs1)Cc1ccc(C)c(C#N)c1 ZINC000599252594 1039102961 /nfs/dbraw/zinc/10/29/61/1039102961.db2.gz UHFSACCXEBHUFT-UHFFFAOYSA-N 1 1 300.427 3.577 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000592062738 1039108483 /nfs/dbraw/zinc/10/84/83/1039108483.db2.gz DAYUYYFJEFHLDR-QGZVFWFLSA-N 1 1 311.816 3.814 20 30 DHEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000592062738 1039108493 /nfs/dbraw/zinc/10/84/93/1039108493.db2.gz DAYUYYFJEFHLDR-QGZVFWFLSA-N 1 1 311.816 3.814 20 30 DHEDMO N#Cc1cnccc1C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000592106826 1039116759 /nfs/dbraw/zinc/11/67/59/1039116759.db2.gz OYKHRRTVEOQFSN-UHFFFAOYSA-N 1 1 311.816 3.986 20 30 DHEDMO C[N@H+](Cc1ccncc1C#N)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000592066279 1039116981 /nfs/dbraw/zinc/11/69/81/1039116981.db2.gz ODQSTIKZDRXLSF-ICSRJNTNSA-N 1 1 321.424 3.553 20 30 DHEDMO C=CCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130721 1039122404 /nfs/dbraw/zinc/12/24/04/1039122404.db2.gz KIMCGZIHWSGAKB-QAQDUYKDSA-N 1 1 318.417 3.667 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000592123664 1039123277 /nfs/dbraw/zinc/12/32/77/1039123277.db2.gz XUTBDLZSLYVXCM-VAMGGRTRSA-N 1 1 303.409 3.721 20 30 DHEDMO CC(C)(C#N)CC[N@@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592139484 1039125695 /nfs/dbraw/zinc/12/56/95/1039125695.db2.gz GRMABKOUIKKDCH-GOSISDBHSA-N 1 1 300.446 3.589 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000592134941 1039126265 /nfs/dbraw/zinc/12/62/65/1039126265.db2.gz VHUCMMHEEQHOEK-HKUYNNGSSA-N 1 1 312.457 3.879 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000592134944 1039128224 /nfs/dbraw/zinc/12/82/24/1039128224.db2.gz VHUCMMHEEQHOEK-PKOBYXMFSA-N 1 1 312.457 3.879 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000592168627 1039137744 /nfs/dbraw/zinc/13/77/44/1039137744.db2.gz SXUSUJNBYOQLSS-RBUKOAKNSA-N 1 1 314.473 3.774 20 30 DHEDMO COc1ccccc1C1([NH2+]Cc2ccc(C#N)cc2Cl)CC1 ZINC000592145737 1039145468 /nfs/dbraw/zinc/14/54/68/1039145468.db2.gz YXKLNAKTRGPTHN-UHFFFAOYSA-N 1 1 312.800 3.999 20 30 DHEDMO N#Cc1ccccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592175390 1039166332 /nfs/dbraw/zinc/16/63/32/1039166332.db2.gz WOTYLFQQNYYEQU-FQEVSTJZSA-N 1 1 318.420 3.718 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599515204 1039187444 /nfs/dbraw/zinc/18/74/44/1039187444.db2.gz AKPANNRPWVYBCL-AWEZNQCLSA-N 1 1 313.351 3.611 20 30 DHEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599515204 1039187456 /nfs/dbraw/zinc/18/74/56/1039187456.db2.gz AKPANNRPWVYBCL-AWEZNQCLSA-N 1 1 313.351 3.611 20 30 DHEDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000603855303 1039190257 /nfs/dbraw/zinc/19/02/57/1039190257.db2.gz UNVUFKQVIANRPM-ZDUSSCGKSA-N 1 1 316.351 3.908 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553744 1039211333 /nfs/dbraw/zinc/21/13/33/1039211333.db2.gz ZREZGGXZFSSIMD-CVEARBPZSA-N 1 1 300.471 3.958 20 30 DHEDMO C/C=C\C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000599692804 1039260202 /nfs/dbraw/zinc/26/02/02/1039260202.db2.gz XWMCPDHYHMHSMC-JGPFYOFESA-N 1 1 311.429 3.563 20 30 DHEDMO COC[C@H](C)[N@@H+](CCC(C)(C)C#N)[C@H]1CCc2ccccc21 ZINC000599683328 1039269625 /nfs/dbraw/zinc/26/96/25/1039269625.db2.gz REORYXCVWCXSSI-YJBOKZPZSA-N 1 1 300.446 3.951 20 30 DHEDMO CCOc1ccccc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686665 1039270302 /nfs/dbraw/zinc/27/03/02/1039270302.db2.gz UXKGTYKCHXFIMY-UHFFFAOYSA-N 1 1 306.409 3.710 20 30 DHEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000592780613 1039278901 /nfs/dbraw/zinc/27/89/01/1039278901.db2.gz LBRMYMRCRZMYSF-WBVHZDCISA-N 1 1 324.428 3.558 20 30 DHEDMO CC(C)Oc1ccnc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000593034740 1039360522 /nfs/dbraw/zinc/36/05/22/1039360522.db2.gz IBGVVYWOXPZSEC-HNNXBMFYSA-N 1 1 309.413 3.933 20 30 DHEDMO CC(C)Oc1ccnc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000593034740 1039360541 /nfs/dbraw/zinc/36/05/41/1039360541.db2.gz IBGVVYWOXPZSEC-HNNXBMFYSA-N 1 1 309.413 3.933 20 30 DHEDMO N#C[C@H]1CC[C@H]([NH+]2CCN(c3cc(Cl)ccc3Cl)CC2)C1 ZINC000593053679 1039376382 /nfs/dbraw/zinc/37/63/82/1039376382.db2.gz YKJNVDKRXQIURM-JSGCOSHPSA-N 1 1 324.255 3.808 20 30 DHEDMO CC[N@@H+](Cc1ccnn1CC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000592497906 1039533881 /nfs/dbraw/zinc/53/38/81/1039533881.db2.gz ILSBZFHLMLABFO-INIZCTEOSA-N 1 1 310.445 3.994 20 30 DHEDMO N#CC1(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CCCC1 ZINC000593649424 1039577427 /nfs/dbraw/zinc/57/74/27/1039577427.db2.gz CHMXLHFRZPKNKE-UHFFFAOYSA-N 1 1 321.424 3.834 20 30 DHEDMO CCOc1cc(C[NH2+]CC2(C#N)CCCC2)cc(Cl)c1O ZINC000593654984 1039581333 /nfs/dbraw/zinc/58/13/33/1039581333.db2.gz UDRNLKQDYHFXAA-UHFFFAOYSA-N 1 1 308.809 3.618 20 30 DHEDMO COc1ccc([C@H]([NH2+]CC(C)(C)CC#N)c2ccccn2)cc1 ZINC000593712476 1039589563 /nfs/dbraw/zinc/58/95/63/1039589563.db2.gz KSZYPHBOESTHOR-SFHVURJKSA-N 1 1 309.413 3.709 20 30 DHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1C(C)C ZINC000605026268 1039608372 /nfs/dbraw/zinc/60/83/72/1039608372.db2.gz KTLWZKAWKPAAFO-RTBURBONSA-N 1 1 317.473 3.665 20 30 DHEDMO CC[N@@H+](CCC1CCN(C(=O)CCCCC#N)CC1)CC(C)C ZINC000594336077 1039752406 /nfs/dbraw/zinc/75/24/06/1039752406.db2.gz BAYQTDNWVNDEQF-UHFFFAOYSA-N 1 1 321.509 3.677 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)nc1 ZINC000593962863 1039842143 /nfs/dbraw/zinc/84/21/43/1039842143.db2.gz CCVDDAOUNGZNFQ-QGZVFWFLSA-N 1 1 316.408 3.814 20 30 DHEDMO N#CC1(c2ccc(CN[C@H]3CC[N@H+](C4CCCCC4)C3)cc2)CC1 ZINC000594977962 1039951934 /nfs/dbraw/zinc/95/19/34/1039951934.db2.gz OKAAKDFWCQJSIN-IBGZPJMESA-N 1 1 323.484 3.738 20 30 DHEDMO N#CC1(c2ccc(C[NH2+][C@H]3CCN(C4CCCCC4)C3)cc2)CC1 ZINC000594977962 1039951945 /nfs/dbraw/zinc/95/19/45/1039951945.db2.gz OKAAKDFWCQJSIN-IBGZPJMESA-N 1 1 323.484 3.738 20 30 DHEDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)[nH]1 ZINC000594937464 1039954308 /nfs/dbraw/zinc/95/43/08/1039954308.db2.gz IZWGFLLVHNZOPB-UONOGXRCSA-N 1 1 323.444 3.724 20 30 DHEDMO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)[nH]1 ZINC000594937461 1039954690 /nfs/dbraw/zinc/95/46/90/1039954690.db2.gz IZWGFLLVHNZOPB-KGLIPLIRSA-N 1 1 323.444 3.724 20 30 DHEDMO Cn1nc(C(F)(F)F)cc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000594959070 1039965557 /nfs/dbraw/zinc/96/55/57/1039965557.db2.gz RXWYLWQVVWIZDV-CQSZACIVSA-N 1 1 322.334 3.574 20 30 DHEDMO COc1cc2c(c(C[NH2+]CC3(C#N)CCCCC3)c1)O[C@H](C)C2 ZINC000594981099 1039990786 /nfs/dbraw/zinc/99/07/86/1039990786.db2.gz GUAASSSPLXHSCZ-CQSZACIVSA-N 1 1 314.429 3.582 20 30 DHEDMO N#CC1(C[NH2+]Cc2ccc3c(c2)OCCCCO3)CCCCC1 ZINC000594981269 1039991838 /nfs/dbraw/zinc/99/18/38/1039991838.db2.gz MTWPPXWBXLNXOW-UHFFFAOYSA-N 1 1 314.429 3.802 20 30 DHEDMO C=CCc1cc(C[NH2+]CC2(C#N)CCCCC2)cc(OC)c1O ZINC000594980934 1039995690 /nfs/dbraw/zinc/99/56/90/1039995690.db2.gz DIOHYNAMWMGKIZ-UHFFFAOYSA-N 1 1 314.429 3.693 20 30 DHEDMO COc1ccc(-c2n[nH]cc2C[NH2+]CC2(C#N)CCCCC2)cc1 ZINC000594993267 1040009921 /nfs/dbraw/zinc/00/99/21/1040009921.db2.gz CZXQYIHDDOEYFY-UHFFFAOYSA-N 1 1 324.428 3.649 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000606895953 1040019899 /nfs/dbraw/zinc/01/98/99/1040019899.db2.gz KAMXGGMZIWMWQW-CQSZACIVSA-N 1 1 313.228 3.972 20 30 DHEDMO C=CCCSCC[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000595058680 1040023853 /nfs/dbraw/zinc/02/38/53/1040023853.db2.gz JBDPTKGQGKLJFX-QGZVFWFLSA-N 1 1 317.433 3.604 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc2c(n1)CCC2 ZINC000574855825 1040061071 /nfs/dbraw/zinc/06/10/71/1040061071.db2.gz AVBFFIMOJCYJFY-FPOVZHCZSA-N 1 1 317.436 3.842 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc2c(n1)CCC2 ZINC000574855825 1040061089 /nfs/dbraw/zinc/06/10/89/1040061089.db2.gz AVBFFIMOJCYJFY-FPOVZHCZSA-N 1 1 317.436 3.842 20 30 DHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000595090561 1040075190 /nfs/dbraw/zinc/07/51/90/1040075190.db2.gz IAFVPIWBZQJISZ-QKKBWIMNSA-N 1 1 304.459 3.549 20 30 DHEDMO COCCc1nc(C)c([C@@H](C)[NH2+]CC2(C#N)CCCCC2)s1 ZINC000595091250 1040077560 /nfs/dbraw/zinc/07/75/60/1040077560.db2.gz OROFWQLEFKVNQN-CYBMUJFWSA-N 1 1 321.490 3.765 20 30 DHEDMO Cn1cc[nH+]c1C[C@@H](Nc1ccc(C#N)cc1F)c1ccccc1 ZINC000078559000 1040084725 /nfs/dbraw/zinc/08/47/25/1040084725.db2.gz JXDGJYMYNYNURE-GOSISDBHSA-N 1 1 320.371 3.827 20 30 DHEDMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595305717 1040105665 /nfs/dbraw/zinc/10/56/65/1040105665.db2.gz JJGGJHCUOBUPEP-JXFKEZNVSA-N 1 1 306.409 3.563 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000595320417 1040108210 /nfs/dbraw/zinc/10/82/10/1040108210.db2.gz XUCADPKFXLKUIT-IBGZPJMESA-N 1 1 308.450 3.891 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN([C@H](C#N)c2ccccc2)C1 ZINC000595323787 1040108412 /nfs/dbraw/zinc/10/84/12/1040108412.db2.gz PHWOAELVPXBSQR-WSTZPKSXSA-N 1 1 311.473 3.838 20 30 DHEDMO CC(C)Oc1ccnc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000593004376 1040133562 /nfs/dbraw/zinc/13/35/62/1040133562.db2.gz VTLTXELBCVWMNK-UHFFFAOYSA-N 1 1 321.424 3.905 20 30 DHEDMO CC(C)Oc1ccnc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000593004376 1040133566 /nfs/dbraw/zinc/13/35/66/1040133566.db2.gz VTLTXELBCVWMNK-UHFFFAOYSA-N 1 1 321.424 3.905 20 30 DHEDMO N#C[C@@H](c1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000595472164 1040147988 /nfs/dbraw/zinc/14/79/88/1040147988.db2.gz JBMYBNGWRSUCOE-MJGOQNOKSA-N 1 1 320.440 3.664 20 30 DHEDMO C[C@@H]1C[C@@H](C)C[NH+](CCN[C@H](CCCC#N)c2ccccc2)C1 ZINC000595502911 1040155886 /nfs/dbraw/zinc/15/58/86/1040155886.db2.gz ORSSKZIBUOXTCG-QWFCFKBJSA-N 1 1 313.489 3.989 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@@H](CC#N)C3)cc2)n1 ZINC000595619980 1040193504 /nfs/dbraw/zinc/19/35/04/1040193504.db2.gz IKZSAGPRGMXIFZ-KRWDZBQOSA-N 1 1 308.429 3.615 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000595623274 1040196055 /nfs/dbraw/zinc/19/60/55/1040196055.db2.gz LOVPOCMOASIDAK-QGZVFWFLSA-N 1 1 321.424 3.786 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000595623274 1040196061 /nfs/dbraw/zinc/19/60/61/1040196061.db2.gz LOVPOCMOASIDAK-QGZVFWFLSA-N 1 1 321.424 3.786 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H](C)COC ZINC000595638293 1040198192 /nfs/dbraw/zinc/19/81/92/1040198192.db2.gz FTVVJFHZKYRYAO-GFCCVEGCSA-N 1 1 312.335 3.600 20 30 DHEDMO C[C@]1(Cc2ccccc2Cl)CCC[N@H+]1CCOCCC#N ZINC000595636703 1040198482 /nfs/dbraw/zinc/19/84/82/1040198482.db2.gz SJTYPYHKZCQXLY-QGZVFWFLSA-N 1 1 306.837 3.667 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000595610152 1040208125 /nfs/dbraw/zinc/20/81/25/1040208125.db2.gz RVGZIGIDWGRBNV-GFCCVEGCSA-N 1 1 313.228 3.998 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000595610152 1040208132 /nfs/dbraw/zinc/20/81/32/1040208132.db2.gz RVGZIGIDWGRBNV-GFCCVEGCSA-N 1 1 313.228 3.998 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H](C)[C@@H]2CCC)c1=S ZINC000173387727 1040236960 /nfs/dbraw/zinc/23/69/60/1040236960.db2.gz RLHLCIJGACZURQ-HIFRSBDPSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCC)c1=S ZINC000173387727 1040236989 /nfs/dbraw/zinc/23/69/89/1040236989.db2.gz RLHLCIJGACZURQ-HIFRSBDPSA-N 1 1 308.495 3.767 20 30 DHEDMO COC(=O)[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)[C@H]2CCCC[C@H]12 ZINC000595735335 1040237435 /nfs/dbraw/zinc/23/74/35/1040237435.db2.gz XCKCZJFSARPLEC-ZACQAIPSSA-N 1 1 320.477 3.760 20 30 DHEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN([C@H](C#N)c2ccccc2)C1 ZINC000595749567 1040239835 /nfs/dbraw/zinc/23/98/35/1040239835.db2.gz OCDKGWQFDVCJSJ-LEWJYISDSA-N 1 1 319.452 3.500 20 30 DHEDMO CCC1(CC)CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000595752834 1040241401 /nfs/dbraw/zinc/24/14/01/1040241401.db2.gz PHRZBDKPLUDGKM-UHFFFAOYSA-N 1 1 319.474 3.851 20 30 DHEDMO C[C@@H](CC[N@@H+]1Cc2cccc(C#N)c2C1)OCc1ccccc1 ZINC000593125819 1040263424 /nfs/dbraw/zinc/26/34/24/1040263424.db2.gz GZALDWKMVKIZEN-INIZCTEOSA-N 1 1 306.409 3.869 20 30 DHEDMO C[C@@H](CC[N@H+]1Cc2cccc(C#N)c2C1)OCc1ccccc1 ZINC000593125819 1040263443 /nfs/dbraw/zinc/26/34/43/1040263443.db2.gz GZALDWKMVKIZEN-INIZCTEOSA-N 1 1 306.409 3.869 20 30 DHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](C4CCC4)C3)o2)c1 ZINC000595830939 1040265239 /nfs/dbraw/zinc/26/52/39/1040265239.db2.gz CGSAZGPOZSRMPT-KRWDZBQOSA-N 1 1 322.412 3.620 20 30 DHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C[C@@H]1CCc2ccccc21 ZINC000595881108 1040270509 /nfs/dbraw/zinc/27/05/09/1040270509.db2.gz QAHYHZGTHAKFDG-SFHVURJKSA-N 1 1 312.457 3.749 20 30 DHEDMO C=CCCCCC[N@@H+]1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000595912411 1040272491 /nfs/dbraw/zinc/27/24/91/1040272491.db2.gz LNGDJBXFCKKFCL-AWEZNQCLSA-N 1 1 322.474 3.856 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c(Cl)c1 ZINC000595911291 1040274191 /nfs/dbraw/zinc/27/41/91/1040274191.db2.gz UHZQERIPZHCENJ-HDICACEKSA-N 1 1 316.832 3.604 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H]1CCc2ccccc21 ZINC000595877728 1040280174 /nfs/dbraw/zinc/28/01/74/1040280174.db2.gz JROIJSGYWSYYFJ-MRXNPFEDSA-N 1 1 321.380 3.628 20 30 DHEDMO Cc1ccc(C#N)nc1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000596151832 1040320409 /nfs/dbraw/zinc/32/04/09/1040320409.db2.gz BJWGLDBLUALMFW-APWZRJJASA-N 1 1 320.440 3.584 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C)c(C)cc1O ZINC000063730234 1040469100 /nfs/dbraw/zinc/46/91/00/1040469100.db2.gz LPVUICZTROCYJO-UHFFFAOYSA-N 1 1 324.424 3.529 20 30 DHEDMO CC(C)[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(C#N)cc1 ZINC000063750655 1040489344 /nfs/dbraw/zinc/48/93/44/1040489344.db2.gz MKDQPULXGOBXDJ-UHFFFAOYSA-N 1 1 323.396 3.920 20 30 DHEDMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075767286 1040538407 /nfs/dbraw/zinc/53/84/07/1040538407.db2.gz XALJPBBYEXPPKW-KBPBESRZSA-N 1 1 310.401 3.619 20 30 DHEDMO C[N@@H+](CCCNc1c(F)cc(C#N)cc1F)C1CCCCC1 ZINC000060320133 1040565166 /nfs/dbraw/zinc/56/51/66/1040565166.db2.gz RFPOOSVREJXBAP-UHFFFAOYSA-N 1 1 307.388 3.903 20 30 DHEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)CC1(O)CCCCCC1 ZINC000597092000 1040650652 /nfs/dbraw/zinc/65/06/52/1040650652.db2.gz HUZXIPYXZNRTBN-UHFFFAOYSA-N 1 1 312.457 3.759 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)cc2)CC1 ZINC000597133466 1040659145 /nfs/dbraw/zinc/65/91/45/1040659145.db2.gz SQYFQCPWNYTORU-OALUTQOASA-N 1 1 322.452 3.775 20 30 DHEDMO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597126159 1040665220 /nfs/dbraw/zinc/66/52/20/1040665220.db2.gz NYUUEZRDRZZSLU-LJQANCHMSA-N 1 1 320.440 3.702 20 30 DHEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C12CCC2 ZINC000597151486 1040667219 /nfs/dbraw/zinc/66/72/19/1040667219.db2.gz NBDRHUPOPSVFOC-ROUUACIJSA-N 1 1 310.441 3.631 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@@H](O)[C@H](C4CCCC4)C3)cc2)CC1 ZINC000597150794 1040667755 /nfs/dbraw/zinc/66/77/55/1040667755.db2.gz DSMKLHIKTDWPQT-VQTJNVASSA-N 1 1 324.468 3.615 20 30 DHEDMO N#CCCn1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c(-c2ccccc2)n1 ZINC000597158189 1040670242 /nfs/dbraw/zinc/67/02/42/1040670242.db2.gz AEIGQJSZPHIAGA-HKUYNNGSSA-N 1 1 320.440 3.838 20 30 DHEDMO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597177905 1040678184 /nfs/dbraw/zinc/67/81/84/1040678184.db2.gz RYMYPJCWOOJDLX-QGZVFWFLSA-N 1 1 308.429 3.615 20 30 DHEDMO Cc1cc(Br)c(C[N@@H+]2CCC[C@H](CC#N)C2)s1 ZINC000597176302 1040678256 /nfs/dbraw/zinc/67/82/56/1040678256.db2.gz HLWXHGIQKKXARJ-LLVKDONJSA-N 1 1 313.264 3.945 20 30 DHEDMO Cc1cc(Br)c(C[N@H+]2CCC[C@H](CC#N)C2)s1 ZINC000597176302 1040678264 /nfs/dbraw/zinc/67/82/64/1040678264.db2.gz HLWXHGIQKKXARJ-LLVKDONJSA-N 1 1 313.264 3.945 20 30 DHEDMO CCOc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc(Cl)c1O ZINC000597177475 1040678585 /nfs/dbraw/zinc/67/85/85/1040678585.db2.gz MVRLDIPZBNMOOG-GFCCVEGCSA-N 1 1 308.809 3.570 20 30 DHEDMO CCOc1cc(C[N@H+]2CCC[C@H](CC#N)C2)cc(Cl)c1O ZINC000597177475 1040678591 /nfs/dbraw/zinc/67/85/91/1040678591.db2.gz MVRLDIPZBNMOOG-GFCCVEGCSA-N 1 1 308.809 3.570 20 30 DHEDMO N#Cc1cc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)ccc1F ZINC000122087678 1040709305 /nfs/dbraw/zinc/70/93/05/1040709305.db2.gz OZYWQEUUFAFXHR-IBGZPJMESA-N 1 1 324.399 3.531 20 30 DHEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CC1(C)C ZINC000597253154 1040712987 /nfs/dbraw/zinc/71/29/87/1040712987.db2.gz KKQRWFSPIUYRLD-SFHVURJKSA-N 1 1 322.456 3.942 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456353101 1040786379 /nfs/dbraw/zinc/78/63/79/1040786379.db2.gz ZBDIBIWAFDJXBE-XLIONFOSSA-N 1 1 314.473 3.569 20 30 DHEDMO C=CCOc1ccccc1C[N@H+](Cc1ccccc1)C[C@@H](C)O ZINC000534345680 1040813901 /nfs/dbraw/zinc/81/39/01/1040813901.db2.gz JWPXRIAGPROMPD-QGZVFWFLSA-N 1 1 311.425 3.634 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000601942432 1040840324 /nfs/dbraw/zinc/84/03/24/1040840324.db2.gz SRDBGSAOXQZBJU-NSHDSACASA-N 1 1 315.726 3.892 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000601942379 1040841760 /nfs/dbraw/zinc/84/17/60/1040841760.db2.gz SRDBGSAOXQZBJU-LLVKDONJSA-N 1 1 315.726 3.892 20 30 DHEDMO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1cccc(F)c1C#N ZINC000602018410 1040857394 /nfs/dbraw/zinc/85/73/94/1040857394.db2.gz XKKYKCHOYUZXLG-QGZVFWFLSA-N 1 1 314.335 3.622 20 30 DHEDMO C=C(CC)CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000456814677 1040922015 /nfs/dbraw/zinc/92/20/15/1040922015.db2.gz UTTFPKLWQOWSAH-MRXNPFEDSA-N 1 1 315.461 3.576 20 30 DHEDMO C=C[C@H](CC(=O)N1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000457012674 1040986504 /nfs/dbraw/zinc/98/65/04/1040986504.db2.gz GZGAIJDNWIMHCS-XLIONFOSSA-N 1 1 320.436 3.519 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCCN(CCCc2ccccc2)CC1 ZINC000602427931 1041025856 /nfs/dbraw/zinc/02/58/56/1041025856.db2.gz LPIQLOXSZMIFOQ-IBGZPJMESA-N 1 1 313.489 3.567 20 30 DHEDMO C[C@@H](CCC#N)CN1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000602427931 1041025861 /nfs/dbraw/zinc/02/58/61/1041025861.db2.gz LPIQLOXSZMIFOQ-IBGZPJMESA-N 1 1 313.489 3.567 20 30 DHEDMO C[C@@H](CCC#N)CN1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000602427931 1041025871 /nfs/dbraw/zinc/02/58/71/1041025871.db2.gz LPIQLOXSZMIFOQ-IBGZPJMESA-N 1 1 313.489 3.567 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)c1cnc(C)nc1C ZINC000602452714 1041030086 /nfs/dbraw/zinc/03/00/86/1041030086.db2.gz FWSDDCKFPKXPAR-OAHLLOKOSA-N 1 1 306.413 3.714 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)c1cnc(C)nc1C ZINC000602452714 1041030115 /nfs/dbraw/zinc/03/01/15/1041030115.db2.gz FWSDDCKFPKXPAR-OAHLLOKOSA-N 1 1 306.413 3.714 20 30 DHEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2C[C@@H](C)CCC#N)c1 ZINC000602437646 1041031747 /nfs/dbraw/zinc/03/17/47/1041031747.db2.gz WOFILDOGOBBXPN-WMLDXEAASA-N 1 1 302.418 3.781 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2nccnc2c1 ZINC000602441713 1041037107 /nfs/dbraw/zinc/03/71/07/1041037107.db2.gz XYWDHXXZGDMTRX-UHFFFAOYSA-N 1 1 316.408 3.912 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000602441516 1041037800 /nfs/dbraw/zinc/03/78/00/1041037800.db2.gz NZPZNFDPJCJIAY-LBPRGKRZSA-N 1 1 300.324 3.957 20 30 DHEDMO CC[N@@H+]([C@H](C)c1ccc(C#N)cc1)[C@H](c1nccn1C)C1CC1 ZINC000602443013 1041038400 /nfs/dbraw/zinc/03/84/00/1041038400.db2.gz FLGGXVJCRYHEII-KDOFPFPSSA-N 1 1 308.429 3.826 20 30 DHEDMO C[C@H](CCC#N)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000602569659 1041099798 /nfs/dbraw/zinc/09/97/98/1041099798.db2.gz RAVAJVCPBLUYLU-KZNAEPCWSA-N 1 1 313.489 3.672 20 30 DHEDMO CCC[N@@H+](Cc1cccc(C#N)n1)[C@@H]1CCCc2cccnc21 ZINC000602615787 1041119733 /nfs/dbraw/zinc/11/97/33/1041119733.db2.gz KAWGSCRQINTWCS-GOSISDBHSA-N 1 1 306.413 3.638 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCc2cc(Br)ccc2C1 ZINC000602631055 1041136494 /nfs/dbraw/zinc/13/64/94/1041136494.db2.gz DEBDMKDWAGDVHO-LBPRGKRZSA-N 1 1 307.235 3.747 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000602654150 1041141638 /nfs/dbraw/zinc/14/16/38/1041141638.db2.gz OXCWIGWLBFRSDK-LBPRGKRZSA-N 1 1 323.234 3.583 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000602654150 1041141647 /nfs/dbraw/zinc/14/16/47/1041141647.db2.gz OXCWIGWLBFRSDK-LBPRGKRZSA-N 1 1 323.234 3.583 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000602660272 1041145715 /nfs/dbraw/zinc/14/57/15/1041145715.db2.gz BHPYMBDACJGGEI-QUCCMNQESA-N 1 1 311.473 3.524 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000602660272 1041145720 /nfs/dbraw/zinc/14/57/20/1041145720.db2.gz BHPYMBDACJGGEI-QUCCMNQESA-N 1 1 311.473 3.524 20 30 DHEDMO N#Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)n1 ZINC000602690408 1041152492 /nfs/dbraw/zinc/15/24/92/1041152492.db2.gz LVFSRINHNPQRBO-LJQANCHMSA-N 1 1 303.409 3.723 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000602712600 1041173412 /nfs/dbraw/zinc/17/34/12/1041173412.db2.gz VUFLURYHAJFDRN-GFCCVEGCSA-N 1 1 323.234 3.583 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCOc2cccc(Br)c2C1 ZINC000602712600 1041173422 /nfs/dbraw/zinc/17/34/22/1041173422.db2.gz VUFLURYHAJFDRN-GFCCVEGCSA-N 1 1 323.234 3.583 20 30 DHEDMO N#Cc1csc(C[NH+]2CCC(Oc3ccccc3F)CC2)c1 ZINC000602733961 1041188316 /nfs/dbraw/zinc/18/83/16/1041188316.db2.gz DPDUTULJJDPVKY-UHFFFAOYSA-N 1 1 316.401 3.802 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)cc1Cl ZINC001232112204 1041244813 /nfs/dbraw/zinc/24/48/13/1041244813.db2.gz RADPQFLFCYEMSB-ZDUSSCGKSA-N 1 1 302.727 3.781 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)cc1Cl ZINC001232112204 1041244833 /nfs/dbraw/zinc/24/48/33/1041244833.db2.gz RADPQFLFCYEMSB-ZDUSSCGKSA-N 1 1 302.727 3.781 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)cc1Cl ZINC001232112203 1041245222 /nfs/dbraw/zinc/24/52/22/1041245222.db2.gz RADPQFLFCYEMSB-CYBMUJFWSA-N 1 1 302.727 3.781 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)cc1Cl ZINC001232112203 1041245234 /nfs/dbraw/zinc/24/52/34/1041245234.db2.gz RADPQFLFCYEMSB-CYBMUJFWSA-N 1 1 302.727 3.781 20 30 DHEDMO CCC[N@@H+](CC1(CC#N)CC1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000602821105 1041260816 /nfs/dbraw/zinc/26/08/16/1041260816.db2.gz KWRXDAIQKXCDBN-INIZCTEOSA-N 1 1 313.445 3.728 20 30 DHEDMO Cc1cc(Br)c2c(c1)CC[N@H+](CCCCC#N)C2 ZINC000602928777 1041309765 /nfs/dbraw/zinc/30/97/65/1041309765.db2.gz RLJDEDCFQXUWTR-UHFFFAOYSA-N 1 1 307.235 3.810 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000598587121 1041347634 /nfs/dbraw/zinc/34/76/34/1041347634.db2.gz NCNJTPHBPZIINH-HZPDHXFCSA-N 1 1 306.837 3.778 20 30 DHEDMO CC[N@H+](Cc1ccc2ccccc2c1)C[C@H](O)CC(C)(C)C#N ZINC000598587349 1041350150 /nfs/dbraw/zinc/35/01/50/1041350150.db2.gz QSAGECJISBVGOU-LJQANCHMSA-N 1 1 310.441 3.962 20 30 DHEDMO CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H]1CCc2ccccc21 ZINC000598587604 1041350809 /nfs/dbraw/zinc/35/08/09/1041350809.db2.gz SMEPAAULICNXNH-FUHWJXTLSA-N 1 1 300.446 3.687 20 30 DHEDMO C[N@H+](Cc1csc2ccccc12)C[C@H](O)CC(C)(C)C#N ZINC000598588618 1041351166 /nfs/dbraw/zinc/35/11/66/1041351166.db2.gz KFPVSRRLDURWSP-CQSZACIVSA-N 1 1 302.443 3.634 20 30 DHEDMO CC(C)(C)C[N@H+](Cc1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598588553 1041351299 /nfs/dbraw/zinc/35/12/99/1041351299.db2.gz CGVGDMDGXNROOV-QGZVFWFLSA-N 1 1 302.462 3.835 20 30 DHEDMO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598594241 1041353589 /nfs/dbraw/zinc/35/35/89/1041353589.db2.gz DWDLRMJIRLIJEZ-GBESFXJTSA-N 1 1 314.473 3.864 20 30 DHEDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598594240 1041354640 /nfs/dbraw/zinc/35/46/40/1041354640.db2.gz DWDLRMJIRLIJEZ-FHWLQOOXSA-N 1 1 314.473 3.864 20 30 DHEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598594253 1041354765 /nfs/dbraw/zinc/35/47/65/1041354765.db2.gz FEYYJFPDCKIHOC-COXVUDFISA-N 1 1 304.409 3.509 20 30 DHEDMO CCc1ccc(C2=CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC2)cc1 ZINC000598599164 1041355960 /nfs/dbraw/zinc/35/59/60/1041355960.db2.gz HGHMOIFUEYZAMC-IBGZPJMESA-N 1 1 312.457 3.639 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000598598444 1041359265 /nfs/dbraw/zinc/35/92/65/1041359265.db2.gz FMDRSDNLUZVEFA-RTBURBONSA-N 1 1 314.473 3.774 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000598612560 1041359857 /nfs/dbraw/zinc/35/98/57/1041359857.db2.gz XGMVTVHCEIORCH-KRWDZBQOSA-N 1 1 318.848 3.730 20 30 DHEDMO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598619496 1041361762 /nfs/dbraw/zinc/36/17/62/1041361762.db2.gz DDUYFDLMOJUUTB-NVXWUHKLSA-N 1 1 304.409 3.572 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000598616214 1041362152 /nfs/dbraw/zinc/36/21/52/1041362152.db2.gz KPCACJJOIJTURO-INDMIFKZSA-N 1 1 312.457 3.555 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000598621043 1041362698 /nfs/dbraw/zinc/36/26/98/1041362698.db2.gz QZRZPCCJMNIGRT-ROUUACIJSA-N 1 1 312.457 3.904 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC(C)(C)C[C@H]1c1ccccc1 ZINC000598623035 1041363995 /nfs/dbraw/zinc/36/39/95/1041363995.db2.gz SXVBYHCCYKSOGY-SJORKVTESA-N 1 1 300.446 3.760 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000598623032 1041364521 /nfs/dbraw/zinc/36/45/21/1041364521.db2.gz SXVBYHCCYKSOGY-DLBZAZTESA-N 1 1 300.446 3.760 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000598621285 1041365251 /nfs/dbraw/zinc/36/52/51/1041365251.db2.gz JGNIVAVDIPGPLO-QZTJIDSGSA-N 1 1 312.457 3.557 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000598624625 1041366318 /nfs/dbraw/zinc/36/63/18/1041366318.db2.gz JHMZBRFVQHKHOI-ZWKOTPCHSA-N 1 1 310.441 3.680 20 30 DHEDMO CC[C@@H](c1ccncc1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000092224536 193176811 /nfs/dbraw/zinc/17/68/11/193176811.db2.gz UZKYPQXWLVDBNE-IBGZPJMESA-N 1 1 309.413 3.805 20 30 DHEDMO C=CCCCC(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000286476406 335035314 /nfs/dbraw/zinc/03/53/14/335035314.db2.gz PMQIBQDAFYOOTG-KRWDZBQOSA-N 1 1 312.413 3.583 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)[C@@H](C)c2ccccn2)cc(OC)c1O ZINC000183679860 335036975 /nfs/dbraw/zinc/03/69/75/335036975.db2.gz QLKVOHRATKEIQM-AWEZNQCLSA-N 1 1 312.413 3.717 20 30 DHEDMO CC(=O)Nc1ccn([C@@H]2CC[N@H+]([C@H](C)c3cccc(C)c3)C2)n1 ZINC000328621213 257264425 /nfs/dbraw/zinc/26/44/25/257264425.db2.gz HORRBARQLKWSJD-RHSMWYFYSA-N 1 1 312.417 3.807 20 30 DHEDMO CCn1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c2ccccc21 ZINC000274462460 130238568 /nfs/dbraw/zinc/23/85/68/130238568.db2.gz TUBAXULZXSDNMZ-UHFFFAOYSA-N 1 1 316.408 3.707 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285387738 131163375 /nfs/dbraw/zinc/16/33/75/131163375.db2.gz SCEXSTRLRCPQTM-AWEZNQCLSA-N 1 1 309.369 3.702 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000285906015 131209023 /nfs/dbraw/zinc/20/90/23/131209023.db2.gz KPDVBGPNAUBMQO-HKBOAZHASA-N 1 1 318.420 3.563 20 30 DHEDMO Cc1[nH+]ccn1CCCCNc1nc2ccccc2c(C)c1C#N ZINC000297182764 132003147 /nfs/dbraw/zinc/00/31/47/132003147.db2.gz QDFAMHCFTHKFDS-UHFFFAOYSA-N 1 1 319.412 3.812 20 30 DHEDMO Cc1ccccc1[C@@H](C)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000298957027 132084129 /nfs/dbraw/zinc/08/41/29/132084129.db2.gz GEAHVRDEGZMWSD-CYBMUJFWSA-N 1 1 313.426 3.560 20 30 DHEDMO Cc1ccccc1[C@@H](C)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000298957027 132084130 /nfs/dbraw/zinc/08/41/30/132084130.db2.gz GEAHVRDEGZMWSD-CYBMUJFWSA-N 1 1 313.426 3.560 20 30 DHEDMO C=C(C)CN1CCC([NH2+][C@H](COC)c2cccc(Cl)c2)CC1 ZINC000289790630 335065442 /nfs/dbraw/zinc/06/54/42/335065442.db2.gz OJYZFDJEDJAONF-GOSISDBHSA-N 1 1 322.880 3.658 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2ncc(C3OCCO3)s2)CCCC1(C)C ZINC000289906730 335067109 /nfs/dbraw/zinc/06/71/09/335067109.db2.gz XTQOHSKHJCKDMZ-CQSZACIVSA-N 1 1 322.474 3.755 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2ncc(C3OCCO3)s2)CCCC1(C)C ZINC000289906730 335067111 /nfs/dbraw/zinc/06/71/11/335067111.db2.gz XTQOHSKHJCKDMZ-CQSZACIVSA-N 1 1 322.474 3.755 20 30 DHEDMO C[C@@H](Nc1cc[nH+]c(N2CCCCC2)n1)c1ccc(C#N)cc1 ZINC000521693302 429563063 /nfs/dbraw/zinc/56/30/63/429563063.db2.gz KAKYZLQOSROUJP-CQSZACIVSA-N 1 1 307.401 3.512 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425556309 335087698 /nfs/dbraw/zinc/08/76/98/335087698.db2.gz SOLONDBPXKUEBU-HNAYVOBHSA-N 1 1 310.441 3.900 20 30 DHEDMO Cc1[nH+]ccn1CCCCNc1ncc(C#N)c2ccsc21 ZINC000601119057 430535640 /nfs/dbraw/zinc/53/56/40/430535640.db2.gz LKADWPJQUJROSG-UHFFFAOYSA-N 1 1 311.414 3.565 20 30 DHEDMO C[C@@H](Nc1cc[nH+]c(N2CCCCC2)n1)c1cccc(C#N)c1 ZINC000612661199 430571994 /nfs/dbraw/zinc/57/19/94/430571994.db2.gz TWGFLUMQTKNYBX-CQSZACIVSA-N 1 1 307.401 3.512 20 30 DHEDMO C[C@@H]1C[C@H](CCNc2ccc(C#N)cn2)C[N@H+]1Cc1ccccc1 ZINC000532797299 435193108 /nfs/dbraw/zinc/19/31/08/435193108.db2.gz KENDNSABDGOGAX-AEFFLSMTSA-N 1 1 320.440 3.666 20 30 DHEDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2ncc(C#N)c3ccsc32)C1 ZINC000601190687 435330094 /nfs/dbraw/zinc/33/00/94/435330094.db2.gz CNSOAMHYQZHNMF-LBPRGKRZSA-N 1 1 314.458 3.700 20 30 DHEDMO Cc1nccnc1[C@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000188222813 331545955 /nfs/dbraw/zinc/54/59/55/331545955.db2.gz WQMWXNXLPAMFLO-LBPRGKRZSA-N 1 1 319.330 3.506 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)cc1F ZINC000518261504 332002043 /nfs/dbraw/zinc/00/20/43/332002043.db2.gz MWAVITOOLGEYTK-FQEVSTJZSA-N 1 1 322.383 3.667 20 30 DHEDMO CC(C)c1ccccc1NC(=O)C[NH+]1CCC(CCC#N)CC1 ZINC000566173138 332017420 /nfs/dbraw/zinc/01/74/20/332017420.db2.gz LLUXKOMPAHTXCL-UHFFFAOYSA-N 1 1 313.445 3.764 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607629 332055355 /nfs/dbraw/zinc/05/53/55/332055355.db2.gz DWVITLSIJUVBFB-ZDUSSCGKSA-N 1 1 307.353 3.586 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607629 332055357 /nfs/dbraw/zinc/05/53/57/332055357.db2.gz DWVITLSIJUVBFB-ZDUSSCGKSA-N 1 1 307.353 3.586 20 30 DHEDMO C[C@@]1(Cc2cccc(F)c2)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000569376091 332067984 /nfs/dbraw/zinc/06/79/84/332067984.db2.gz NAHQBPASPLTJQE-IBGZPJMESA-N 1 1 309.388 3.690 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000569423689 332080395 /nfs/dbraw/zinc/08/03/95/332080395.db2.gz RMKLNTMUSKFWGV-RTBURBONSA-N 1 1 311.425 3.620 20 30 DHEDMO C[C@H]1C[C@@H](CCNc2ccnc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000569484308 332101314 /nfs/dbraw/zinc/10/13/14/332101314.db2.gz FRYKFSQKTOYWAX-FUHWJXTLSA-N 1 1 320.440 3.666 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000410320558 332111990 /nfs/dbraw/zinc/11/19/90/332111990.db2.gz FDORGBBHPRGJFZ-HXUWFJFHSA-N 1 1 320.436 3.572 20 30 DHEDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000091796719 332112605 /nfs/dbraw/zinc/11/26/05/332112605.db2.gz QTRRJUDBPSYKAR-OAHLLOKOSA-N 1 1 304.434 3.856 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2ccc(C(C)C)cc2)C1=O ZINC000410333822 332113886 /nfs/dbraw/zinc/11/38/86/332113886.db2.gz RLIBPVHBIPKCME-QAPCUYQASA-N 1 1 300.446 3.590 20 30 DHEDMO C[N@H+](C[C@H]1CCN(Cc2ccccc2)C1)CC(C)(C)CCC#N ZINC000093337049 332137676 /nfs/dbraw/zinc/13/76/76/332137676.db2.gz WKZWASQPPICEFX-LJQANCHMSA-N 1 1 313.489 3.770 20 30 DHEDMO C[N@@H+](C[C@H]1CCN(Cc2ccccc2)C1)CC(C)(C)CCC#N ZINC000093337049 332137677 /nfs/dbraw/zinc/13/76/77/332137677.db2.gz WKZWASQPPICEFX-LJQANCHMSA-N 1 1 313.489 3.770 20 30 DHEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@]3(C#N)C[C@H]3C)c2C1 ZINC000410433404 332143700 /nfs/dbraw/zinc/14/37/00/332143700.db2.gz LLFQHWQHERSVNW-KUHUBIRLSA-N 1 1 311.429 3.537 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c(Br)c1 ZINC000181144910 332186603 /nfs/dbraw/zinc/18/66/03/332186603.db2.gz JZQNJRMDAZHJCV-BETUJISGSA-N 1 1 305.219 3.553 20 30 DHEDMO C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)C[N@H+]1C1CC1 ZINC000317815578 332200322 /nfs/dbraw/zinc/20/03/22/332200322.db2.gz YGIZZFJPZVTPJJ-ZYHUDNBSSA-N 1 1 309.335 3.614 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@](C)(C#N)C(C)C)cc1)C(C)C ZINC000101516644 332215813 /nfs/dbraw/zinc/21/58/13/332215813.db2.gz RSLFGHZJKULWCG-LJQANCHMSA-N 1 1 315.461 3.585 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1OC ZINC000292808283 335095189 /nfs/dbraw/zinc/09/51/89/335095189.db2.gz OIBXRFBFNIHILH-SJORKVTESA-N 1 1 323.383 3.737 20 30 DHEDMO CCCC[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000108355806 332271754 /nfs/dbraw/zinc/27/17/54/332271754.db2.gz HZJZLBMHQVALGX-AWEZNQCLSA-N 1 1 319.474 3.751 20 30 DHEDMO C=CCOCCC[N@@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC000560193089 332318212 /nfs/dbraw/zinc/31/82/12/332318212.db2.gz SOIXBQZXRGOUFM-UHFFFAOYSA-N 1 1 322.880 3.753 20 30 DHEDMO C=CCC(C)(C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000293232920 335102401 /nfs/dbraw/zinc/10/24/01/335102401.db2.gz YBOSTBOUWXBNCE-OAHLLOKOSA-N 1 1 316.445 3.621 20 30 DHEDMO C=CCOCC[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000583369680 332364616 /nfs/dbraw/zinc/36/46/16/332364616.db2.gz BPHFRCMRXOKJNS-UHFFFAOYSA-N 1 1 324.262 3.615 20 30 DHEDMO Cc1cc(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc(C#N)n1 ZINC000308273484 333060699 /nfs/dbraw/zinc/06/06/99/333060699.db2.gz HVERCEVKKLOSMH-INIZCTEOSA-N 1 1 308.429 3.584 20 30 DHEDMO CC(C)CC[N@H+](CCC#N)CCc1nc(-c2ccccc2)no1 ZINC000173543359 333075019 /nfs/dbraw/zinc/07/50/19/333075019.db2.gz VYZSBMCVUQWVFA-UHFFFAOYSA-N 1 1 312.417 3.541 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)CCc1nc(-c2ccccc2)no1 ZINC000173543359 333075021 /nfs/dbraw/zinc/07/50/21/333075021.db2.gz VYZSBMCVUQWVFA-UHFFFAOYSA-N 1 1 312.417 3.541 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000174810173 333090889 /nfs/dbraw/zinc/09/08/89/333090889.db2.gz PFMRNKOMGDKZHF-INIZCTEOSA-N 1 1 314.429 3.925 20 30 DHEDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000462073969 333126312 /nfs/dbraw/zinc/12/63/12/333126312.db2.gz YWAAWZHKOASMNS-HNNXBMFYSA-N 1 1 311.454 3.721 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000177991181 333134266 /nfs/dbraw/zinc/13/42/66/333134266.db2.gz ITKRBPZIEUOTCQ-FQEVSTJZSA-N 1 1 322.383 3.520 20 30 DHEDMO N#CCC[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1ccccc1 ZINC000178755564 333143631 /nfs/dbraw/zinc/14/36/31/333143631.db2.gz UMHOGLDKXDSGCI-QGZVFWFLSA-N 1 1 308.381 3.592 20 30 DHEDMO CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000181744842 333171791 /nfs/dbraw/zinc/17/17/91/333171791.db2.gz YDUBPULWIYBJMV-FUHWJXTLSA-N 1 1 315.461 3.504 20 30 DHEDMO CC[C@@H]1CCCC[N@H+]1CCN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000181744842 333171792 /nfs/dbraw/zinc/17/17/92/333171792.db2.gz YDUBPULWIYBJMV-FUHWJXTLSA-N 1 1 315.461 3.504 20 30 DHEDMO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309672966 333187051 /nfs/dbraw/zinc/18/70/51/333187051.db2.gz UOZPWFVKVOSDCC-IBGZPJMESA-N 1 1 313.489 3.818 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](CN[C@H](C)c1cc(C)ccn1)C(C)C ZINC000517046493 333216095 /nfs/dbraw/zinc/21/60/95/333216095.db2.gz ZRLSXTGKDAFFQP-IEBWSBKVSA-N 1 1 301.478 3.739 20 30 DHEDMO N#CCCn1cc(C[N@H+]2CCCC3(CC3)C2)c(-c2ccccc2)n1 ZINC000186608935 333220892 /nfs/dbraw/zinc/22/08/92/333220892.db2.gz QTCJJEXCMPWNKY-UHFFFAOYSA-N 1 1 320.440 3.840 20 30 DHEDMO CC(C)[C@H](CC[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1)NC(=O)OC(C)(C)C ZINC000497309547 333234783 /nfs/dbraw/zinc/23/47/83/333234783.db2.gz AVAYMUCJQXQUCO-OAGGEKHMSA-N 1 1 323.481 3.550 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000185344997 335129118 /nfs/dbraw/zinc/12/91/18/335129118.db2.gz NETAYMVEMLOSNZ-HZPDHXFCSA-N 1 1 320.502 3.679 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCC1CCOCC1 ZINC000368632930 333272216 /nfs/dbraw/zinc/27/22/16/333272216.db2.gz PLZYWWOQHISQCA-WOJBJXKFSA-N 1 1 312.457 3.965 20 30 DHEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000364427257 333313753 /nfs/dbraw/zinc/31/37/53/333313753.db2.gz HCWRLRPWISPBAO-DOTOQJQBSA-N 1 1 318.486 3.626 20 30 DHEDMO CC[C@H](C)C[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000111253177 333328248 /nfs/dbraw/zinc/32/82/48/333328248.db2.gz PVBJGDLNDPMPOK-HNNXBMFYSA-N 1 1 311.429 3.716 20 30 DHEDMO COc1cccc(-c2c[nH]c([C@H]3CCC[N@H+]3CCCCC#N)n2)c1 ZINC000364892631 333332802 /nfs/dbraw/zinc/33/28/02/333332802.db2.gz LHGXXRJYAQCPBQ-GOSISDBHSA-N 1 1 324.428 3.916 20 30 DHEDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000365203263 333356871 /nfs/dbraw/zinc/35/68/71/333356871.db2.gz MJZUUGBJGKPPJM-MRXNPFEDSA-N 1 1 317.481 3.758 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000188404701 333365610 /nfs/dbraw/zinc/36/56/10/333365610.db2.gz VQLJCRRYKHBDJQ-JENIJYKNSA-N 1 1 306.494 3.702 20 30 DHEDMO C=CCc1cc(C[NH2+][C@@H](C)c2ccncc2F)cc(OC)c1O ZINC000337944602 333465779 /nfs/dbraw/zinc/46/57/79/333465779.db2.gz PDFWTQWPLBUTCQ-LBPRGKRZSA-N 1 1 316.376 3.514 20 30 DHEDMO Cc1ccnc(NC[C@H](c2ccccc2Cl)[NH+](C)C)c1C#N ZINC000343435891 335164157 /nfs/dbraw/zinc/16/41/57/335164157.db2.gz LDEYDXKKQSPGDQ-MRXNPFEDSA-N 1 1 314.820 3.630 20 30 DHEDMO N#Cc1csc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000414555746 334016862 /nfs/dbraw/zinc/01/68/62/334016862.db2.gz MHFUGYZSGLUVQW-SFHVURJKSA-N 1 1 324.449 3.973 20 30 DHEDMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CCC(C)(C)C#N ZINC000276205127 334075056 /nfs/dbraw/zinc/07/50/56/334075056.db2.gz JWOXCQONDCRMOT-IAGOWNOFSA-N 1 1 313.489 3.672 20 30 DHEDMO C=CCC(CC=C)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000343597513 335175913 /nfs/dbraw/zinc/17/59/13/335175913.db2.gz CEMNQTUSXVZPKZ-UHFFFAOYSA-N 1 1 314.473 3.911 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000277545439 334088997 /nfs/dbraw/zinc/08/89/97/334088997.db2.gz BQUJKXFPXJFHLC-QGZVFWFLSA-N 1 1 304.409 3.919 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000277545439 334088999 /nfs/dbraw/zinc/08/89/99/334088999.db2.gz BQUJKXFPXJFHLC-QGZVFWFLSA-N 1 1 304.409 3.919 20 30 DHEDMO C[N@H+](CCCCC(C)(C)C#N)Cc1nccn1CC(F)(F)F ZINC000277876418 334091471 /nfs/dbraw/zinc/09/14/71/334091471.db2.gz YXPNVCCIPLEZAW-UHFFFAOYSA-N 1 1 316.371 3.597 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1nccn1CC(F)(F)F ZINC000277876418 334091473 /nfs/dbraw/zinc/09/14/73/334091473.db2.gz YXPNVCCIPLEZAW-UHFFFAOYSA-N 1 1 316.371 3.597 20 30 DHEDMO C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000278501222 334096930 /nfs/dbraw/zinc/09/69/30/334096930.db2.gz AGOOQNDFMMESSV-PMACEKPBSA-N 1 1 311.473 3.523 20 30 DHEDMO C[N@@H+](CCc1ccc(Br)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278683506 334099752 /nfs/dbraw/zinc/09/97/52/334099752.db2.gz RWCDOCTVTDDZTB-UKRRQHHQSA-N 1 1 307.235 3.616 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000278797507 334101272 /nfs/dbraw/zinc/10/12/72/334101272.db2.gz QXPDQFVDIWSTKJ-FRYIKTPZSA-N 1 1 311.473 3.569 20 30 DHEDMO COc1ccc(C[N@H+]2CCC(C)=C(C)C2)cc1OCCCC#N ZINC000280202979 334115381 /nfs/dbraw/zinc/11/53/81/334115381.db2.gz BNRUBHFKNUVOHW-UHFFFAOYSA-N 1 1 314.429 3.920 20 30 DHEDMO N#CC1(CCC[N@H+]2CCc3cc(Cl)ccc3C2)CCOCC1 ZINC000281493810 334126535 /nfs/dbraw/zinc/12/65/35/334126535.db2.gz XOTNMUULVPBKER-UHFFFAOYSA-N 1 1 318.848 3.799 20 30 DHEDMO N#CC1(CCC[N@H+]2CCC[C@H]2Cc2ccccc2)CCOCC1 ZINC000281638711 334127632 /nfs/dbraw/zinc/12/76/32/334127632.db2.gz BYKDZIKXNYHGJV-IBGZPJMESA-N 1 1 312.457 3.794 20 30 DHEDMO Cn1cccc1[C@H]1CCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000282105129 334131300 /nfs/dbraw/zinc/13/13/00/334131300.db2.gz WLFPFVDBKKRSTR-GOSISDBHSA-N 1 1 315.461 3.653 20 30 DHEDMO CC[C@@](C)(C#N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000284950093 334145069 /nfs/dbraw/zinc/14/50/69/334145069.db2.gz BUTAKXCZXYMJGX-BEFAXECRSA-N 1 1 313.445 3.797 20 30 DHEDMO COCC[N@H+](Cc1ccccn1)Cc1ccccc1C(C)(C)C#N ZINC000287450537 334157842 /nfs/dbraw/zinc/15/78/42/334157842.db2.gz QQKOTEZUDMLAPX-UHFFFAOYSA-N 1 1 323.440 3.531 20 30 DHEDMO COCC[N@@H+](Cc1ccccn1)Cc1ccccc1C(C)(C)C#N ZINC000287450537 334157843 /nfs/dbraw/zinc/15/78/43/334157843.db2.gz QQKOTEZUDMLAPX-UHFFFAOYSA-N 1 1 323.440 3.531 20 30 DHEDMO COc1ccccc1O[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000289605797 334166792 /nfs/dbraw/zinc/16/67/92/334166792.db2.gz LAUONWHIORXDBN-INIZCTEOSA-N 1 1 316.445 3.868 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291844581 334182265 /nfs/dbraw/zinc/18/22/65/334182265.db2.gz OSSHVOASOIJHPY-FQEVSTJZSA-N 1 1 314.473 3.634 20 30 DHEDMO COc1ccc(C[N@@H+](CCOCCC#N)Cc2ccccc2)cc1 ZINC000292914729 334194213 /nfs/dbraw/zinc/19/42/13/334194213.db2.gz XLFBZGSSINSDRJ-UHFFFAOYSA-N 1 1 324.424 3.628 20 30 DHEDMO Cc1cc(Br)c2c(c1)C[N@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000294406873 334209546 /nfs/dbraw/zinc/20/95/46/334209546.db2.gz CTRYGYNLWWFKCF-GXTWGEPZSA-N 1 1 319.246 3.808 20 30 DHEDMO Cc1cc(Br)c2c(c1)C[N@@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000294406873 334209549 /nfs/dbraw/zinc/20/95/49/334209549.db2.gz CTRYGYNLWWFKCF-GXTWGEPZSA-N 1 1 319.246 3.808 20 30 DHEDMO N#CCCOCC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000294697730 334212630 /nfs/dbraw/zinc/21/26/30/334212630.db2.gz UIGILSHOALHCTQ-GOSISDBHSA-N 1 1 324.428 3.534 20 30 DHEDMO N#CCCOCC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000294697730 334212631 /nfs/dbraw/zinc/21/26/31/334212631.db2.gz UIGILSHOALHCTQ-GOSISDBHSA-N 1 1 324.428 3.534 20 30 DHEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CCCSCC#N)nc2c1 ZINC000295983520 334229013 /nfs/dbraw/zinc/22/90/13/334229013.db2.gz ONBVRTNXGPDXAK-INIZCTEOSA-N 1 1 314.458 3.655 20 30 DHEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+]3CCCSCC#N)[nH]c2c1 ZINC000295983520 334229015 /nfs/dbraw/zinc/22/90/15/334229015.db2.gz ONBVRTNXGPDXAK-INIZCTEOSA-N 1 1 314.458 3.655 20 30 DHEDMO Cc1ccc2nc([C@@H]3CCC[N@H+]3CCCSCC#N)[nH]c2c1 ZINC000295983520 334229017 /nfs/dbraw/zinc/22/90/17/334229017.db2.gz ONBVRTNXGPDXAK-INIZCTEOSA-N 1 1 314.458 3.655 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](C)C[C@@H](CC(C)C)c2ccccc2)C1=O ZINC000467524431 334266360 /nfs/dbraw/zinc/26/63/60/334266360.db2.gz YVIJBVVAFNHZQL-MOPGFXCFSA-N 1 1 314.473 3.535 20 30 DHEDMO C=C(C)C[N@@H+](CC)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000120115190 334298078 /nfs/dbraw/zinc/29/80/78/334298078.db2.gz HDMBDBZBFIFCFJ-LLVKDONJSA-N 1 1 305.447 3.560 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000120115190 334298079 /nfs/dbraw/zinc/29/80/79/334298079.db2.gz HDMBDBZBFIFCFJ-LLVKDONJSA-N 1 1 305.447 3.560 20 30 DHEDMO C=CC1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000111258793 334314520 /nfs/dbraw/zinc/31/45/20/334314520.db2.gz NVHIAOUWFTWESW-GFCCVEGCSA-N 1 1 322.836 3.574 20 30 DHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cc(C#N)cs2)c1 ZINC000535080034 334365683 /nfs/dbraw/zinc/36/56/83/334365683.db2.gz GTOKOKWHXVGOMG-INIZCTEOSA-N 1 1 312.438 3.835 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1cccc(O)c1 ZINC000341807681 334484394 /nfs/dbraw/zinc/48/43/94/334484394.db2.gz DRZYEOLGUJNDBT-LLVKDONJSA-N 1 1 318.323 3.716 20 30 DHEDMO C=C(Br)C[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000125098933 334787169 /nfs/dbraw/zinc/78/71/69/334787169.db2.gz LUCWHWGMMUMARL-SNVBAGLBSA-N 1 1 300.244 3.506 20 30 DHEDMO CC[C@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000344226478 335230181 /nfs/dbraw/zinc/23/01/81/335230181.db2.gz XUWMXNQYZXYDTP-SJKOYZFVSA-N 1 1 319.836 3.661 20 30 DHEDMO CC[C@]1(C)CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000344247146 335232052 /nfs/dbraw/zinc/23/20/52/335232052.db2.gz RDQBFJPAOJWEKW-QGZVFWFLSA-N 1 1 319.836 3.662 20 30 DHEDMO C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000346093003 335374276 /nfs/dbraw/zinc/37/42/76/335374276.db2.gz ZTFOATRZEUVCLE-LSDHHAIUSA-N 1 1 303.425 3.612 20 30 DHEDMO Cn1nccc1-c1ccccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000351396699 336032024 /nfs/dbraw/zinc/03/20/24/336032024.db2.gz LBQZEUATYUJAGH-UHFFFAOYSA-N 1 1 310.445 3.849 20 30 DHEDMO Cc1cnc([C@@H]([NH2+]CC(=O)NC2CCCCC2)C2CC2)s1 ZINC000329684813 336044214 /nfs/dbraw/zinc/04/42/14/336044214.db2.gz UKOLNFBXOZHIJP-HNNXBMFYSA-N 1 1 307.463 3.781 20 30 DHEDMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+]([C@H]2C[C@H]2c2ccccc2)C1 ZINC000329837243 336088103 /nfs/dbraw/zinc/08/81/03/336088103.db2.gz VJOWDNKDYFOCOU-RYRKJORJSA-N 1 1 324.428 3.753 20 30 DHEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC000329967036 336101125 /nfs/dbraw/zinc/10/11/25/336101125.db2.gz VXSKSLKMLIUDEY-AWEZNQCLSA-N 1 1 319.449 3.757 20 30 DHEDMO N#CCCCC[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000331635183 336142795 /nfs/dbraw/zinc/14/27/95/336142795.db2.gz INTPKHGLRUNLDF-INIZCTEOSA-N 1 1 315.465 3.726 20 30 DHEDMO N#CCCCC[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000331635183 336142796 /nfs/dbraw/zinc/14/27/96/336142796.db2.gz INTPKHGLRUNLDF-INIZCTEOSA-N 1 1 315.465 3.726 20 30 DHEDMO N#CCCCC[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000331635183 336142797 /nfs/dbraw/zinc/14/27/97/336142797.db2.gz INTPKHGLRUNLDF-INIZCTEOSA-N 1 1 315.465 3.726 20 30 DHEDMO Cn1c2ccc(F)cc2nc1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000330307959 336146545 /nfs/dbraw/zinc/14/65/45/336146545.db2.gz SMLXHADVHDVMAD-CYBMUJFWSA-N 1 1 318.396 3.565 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2nc(-c3ccoc3)no2)CCCC1(C)C ZINC000332081876 336157612 /nfs/dbraw/zinc/15/76/12/336157612.db2.gz NDZKTCUUAYFOPF-AWEZNQCLSA-N 1 1 301.390 3.896 20 30 DHEDMO C[C@@H](C1CC1)n1cc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cn1 ZINC000330324267 336158317 /nfs/dbraw/zinc/15/83/17/336158317.db2.gz UAVUDRDYHADVAQ-SUMWQHHRSA-N 1 1 316.449 3.849 20 30 DHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC2(CCCC2)C1 ZINC000333734615 336208941 /nfs/dbraw/zinc/20/89/41/336208941.db2.gz QGARHDPVNWNSLA-UHFFFAOYSA-N 1 1 317.458 3.605 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)cc1 ZINC000103142142 336239411 /nfs/dbraw/zinc/23/94/11/336239411.db2.gz RDFKIIQZFXUWJD-MRXNPFEDSA-N 1 1 310.372 3.695 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000352804211 336240937 /nfs/dbraw/zinc/24/09/37/336240937.db2.gz ZWPZQNSPCOJOMI-MSOLQXFVSA-N 1 1 311.473 3.645 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1cccc2ccccc21)C[C@H](C)C#N ZINC000103469607 336241017 /nfs/dbraw/zinc/24/10/17/336241017.db2.gz RQOCZRKJIJQCCO-OAHLLOKOSA-N 1 1 309.413 3.650 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](OC)c1ccccc1 ZINC000352815104 336249741 /nfs/dbraw/zinc/24/97/41/336249741.db2.gz LPPFIUDIPXKRNV-LJQANCHMSA-N 1 1 315.413 3.538 20 30 DHEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1CCOCC1 ZINC000532589342 336256582 /nfs/dbraw/zinc/25/65/82/336256582.db2.gz BMCLHBZZLDRYJB-UHFFFAOYSA-N 1 1 306.409 3.836 20 30 DHEDMO CO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352830241 336267950 /nfs/dbraw/zinc/26/79/50/336267950.db2.gz CLPQXFYBPQSIKE-BONVTDFDSA-N 1 1 321.833 3.534 20 30 DHEDMO CCCOc1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352832687 336270335 /nfs/dbraw/zinc/27/03/35/336270335.db2.gz FYNBSLRDTLYZEZ-GFCCVEGCSA-N 1 1 301.415 3.654 20 30 DHEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(-c2cccnc2)cc1 ZINC000352835239 336271906 /nfs/dbraw/zinc/27/19/06/336271906.db2.gz KOPPKUVSYOQDOX-CYBMUJFWSA-N 1 1 320.421 3.928 20 30 DHEDMO C=CCCc1ccccc1NCc1ncc(C[NH+](C)C)s1 ZINC000352851486 336279674 /nfs/dbraw/zinc/27/96/74/336279674.db2.gz BWJMTOWLKJVPCO-UHFFFAOYSA-N 1 1 301.459 3.935 20 30 DHEDMO N#Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000192957218 336285894 /nfs/dbraw/zinc/28/58/94/336285894.db2.gz TVKPWJXUWSXLSG-KRWDZBQOSA-N 1 1 309.388 3.631 20 30 DHEDMO C[C@@H](CNc1ccc(F)cc1C#N)[N@H+]1CCc2sccc2C1 ZINC000301366093 336302661 /nfs/dbraw/zinc/30/26/61/336302661.db2.gz NRPWJUKHRWSNHC-LBPRGKRZSA-N 1 1 315.417 3.618 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1ccc(C#N)nc1 ZINC000301516795 336311912 /nfs/dbraw/zinc/31/19/12/336311912.db2.gz LXZZPLKCXVEFDS-MRXNPFEDSA-N 1 1 320.440 3.940 20 30 DHEDMO CCC[N@H+]1CC[C@H](CNc2c(C#N)cnc3c(C)cc(C)cc32)C1 ZINC000302004925 336342689 /nfs/dbraw/zinc/34/26/89/336342689.db2.gz ZUUNRQRRMGRUBQ-MRXNPFEDSA-N 1 1 322.456 3.867 20 30 DHEDMO C[NH+](C)[C@@H](CNc1c(C#N)cccc1C#N)c1ccccc1Cl ZINC000302787393 336369189 /nfs/dbraw/zinc/36/91/89/336369189.db2.gz WULQMJZIRTUWMD-KRWDZBQOSA-N 1 1 324.815 3.798 20 30 DHEDMO N#Cc1cccc(C#N)c1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000302864221 336372465 /nfs/dbraw/zinc/37/24/65/336372465.db2.gz XJAFCYUWLOIAEJ-UHFFFAOYSA-N 1 1 322.456 3.522 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCC(C)(C)O1 ZINC000352901254 336375429 /nfs/dbraw/zinc/37/54/29/336375429.db2.gz JCYJSYOOTMBAKS-QGZVFWFLSA-N 1 1 305.466 3.800 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2ccccc2C(F)(F)F)CC1 ZINC000106246074 336389173 /nfs/dbraw/zinc/38/91/73/336389173.db2.gz JBBCURVKDAOBBS-UHFFFAOYSA-N 1 1 312.379 3.836 20 30 DHEDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc(C#N)s2)cc1Cl ZINC000357936490 336603810 /nfs/dbraw/zinc/60/38/10/336603810.db2.gz ZQYBIDMBVUEITJ-UHFFFAOYSA-N 1 1 319.817 3.587 20 30 DHEDMO Cc1cccc(NCCNc2ccc(C#N)cc2C(F)(F)F)[nH+]1 ZINC000361708384 336769471 /nfs/dbraw/zinc/76/94/71/336769471.db2.gz NAKZIVJHTMJIEB-UHFFFAOYSA-N 1 1 320.318 3.805 20 30 DHEDMO Cc1csc(C2([NH2+]Cc3ccc(C#N)c(F)c3)CCC2)n1 ZINC000361745782 336771035 /nfs/dbraw/zinc/77/10/35/336771035.db2.gz JEHXZOAKYJPOLF-UHFFFAOYSA-N 1 1 301.390 3.631 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)c1ccc(F)c(F)c1 ZINC000367527234 336824356 /nfs/dbraw/zinc/82/43/56/336824356.db2.gz MYACQJKPIDTCLK-RDJZCZTQSA-N 1 1 303.356 3.972 20 30 DHEDMO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)o1 ZINC000370532633 336887021 /nfs/dbraw/zinc/88/70/21/336887021.db2.gz CFCIGBHRHXENMH-WBVHZDCISA-N 1 1 321.424 3.855 20 30 DHEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000375110734 337003573 /nfs/dbraw/zinc/00/35/73/337003573.db2.gz MTPYBMBMXPTNPO-HIFRSBDPSA-N 1 1 321.346 3.938 20 30 DHEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000375110734 337003574 /nfs/dbraw/zinc/00/35/74/337003574.db2.gz MTPYBMBMXPTNPO-HIFRSBDPSA-N 1 1 321.346 3.938 20 30 DHEDMO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000375110725 337003604 /nfs/dbraw/zinc/00/36/04/337003604.db2.gz MTPYBMBMXPTNPO-DZGCQCFKSA-N 1 1 321.346 3.938 20 30 DHEDMO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000375110725 337003605 /nfs/dbraw/zinc/00/36/05/337003605.db2.gz MTPYBMBMXPTNPO-DZGCQCFKSA-N 1 1 321.346 3.938 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000375317600 337007918 /nfs/dbraw/zinc/00/79/18/337007918.db2.gz GRSPHXPFJXEMNI-RBUKOAKNSA-N 1 1 314.429 3.513 20 30 DHEDMO Fc1ccc(C#CC[NH+]2CCC(F)(c3cccnc3)CC2)cc1 ZINC000375339000 337008329 /nfs/dbraw/zinc/00/83/29/337008329.db2.gz VNHLLCLXJRDRIP-UHFFFAOYSA-N 1 1 312.363 3.533 20 30 DHEDMO C[N@H+]1CCCC12CCN(c1ccc(C(F)(F)F)cc1C#N)CC2 ZINC000375346077 337008688 /nfs/dbraw/zinc/00/86/88/337008688.db2.gz VDBGINARWONKRG-UHFFFAOYSA-N 1 1 323.362 3.642 20 30 DHEDMO C=CCC[C@@H](C(=O)NCc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000375373717 337009521 /nfs/dbraw/zinc/00/95/21/337009521.db2.gz PBDJPRADAGXFJS-GOSISDBHSA-N 1 1 323.440 3.586 20 30 DHEDMO Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)s1 ZINC000305052202 337011447 /nfs/dbraw/zinc/01/14/47/337011447.db2.gz AONMBYQSMGXOSR-DLBZAZTESA-N 1 1 312.438 3.799 20 30 DHEDMO C[C@H]1[N@@H+](Cc2ccc(F)c(C#N)c2Cl)CCC12CCOCC2 ZINC000376121231 337027644 /nfs/dbraw/zinc/02/76/44/337027644.db2.gz ZPUTUMXCGXHMCL-GFCCVEGCSA-N 1 1 322.811 3.742 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)s1 ZINC000122955092 337030942 /nfs/dbraw/zinc/03/09/42/337030942.db2.gz MVZHEKWSYMJIOX-UHFFFAOYSA-N 1 1 316.401 3.802 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000376382571 337032354 /nfs/dbraw/zinc/03/23/54/337032354.db2.gz FBWXAVQDOVXHSF-HZPDHXFCSA-N 1 1 318.465 3.535 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2cc(C#N)ccn2)cc1 ZINC000376448253 337033639 /nfs/dbraw/zinc/03/36/39/337033639.db2.gz IXAWTVSEPPBCHO-CYBMUJFWSA-N 1 1 303.369 3.621 20 30 DHEDMO COc1ccc(C[N@H+](CCC#N)C2CCCCC2)cc1OC ZINC000123378095 337045355 /nfs/dbraw/zinc/04/53/55/337045355.db2.gz HNFKAXQPUFYQTE-UHFFFAOYSA-N 1 1 302.418 3.752 20 30 DHEDMO COc1ccc(C[N@@H+](CCC#N)C2CCCCC2)cc1OC ZINC000123378095 337045356 /nfs/dbraw/zinc/04/53/56/337045356.db2.gz HNFKAXQPUFYQTE-UHFFFAOYSA-N 1 1 302.418 3.752 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCC[C@](O)(c3ccccc3)CC2)ccc1F ZINC000377557217 337055287 /nfs/dbraw/zinc/05/52/87/337055287.db2.gz STFYKOVQDQLPOZ-HXUWFJFHSA-N 1 1 324.399 3.571 20 30 DHEDMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000377838090 337062409 /nfs/dbraw/zinc/06/24/09/337062409.db2.gz VMRHXAOWKFPIHG-MRXNPFEDSA-N 1 1 312.392 3.859 20 30 DHEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000378039884 337065528 /nfs/dbraw/zinc/06/55/28/337065528.db2.gz JAYFUGIYPBHABA-XLIONFOSSA-N 1 1 307.441 3.800 20 30 DHEDMO CC[N@@H+](C[C@H](O)Cc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193759027 337079337 /nfs/dbraw/zinc/07/93/37/337079337.db2.gz OSMQBSGMUVUGQQ-OXJNMPFZSA-N 1 1 308.425 3.545 20 30 DHEDMO C=C(Br)C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000176918165 337153593 /nfs/dbraw/zinc/15/35/93/337153593.db2.gz GQMATLGLLFYVAE-RYUDHWBXSA-N 1 1 316.264 3.545 20 30 DHEDMO C=C(Br)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000176918165 337153594 /nfs/dbraw/zinc/15/35/94/337153594.db2.gz GQMATLGLLFYVAE-RYUDHWBXSA-N 1 1 316.264 3.545 20 30 DHEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000177824810 337157601 /nfs/dbraw/zinc/15/76/01/337157601.db2.gz RFSSOIOOPPMDMP-YWZLYKJASA-N 1 1 319.408 3.580 20 30 DHEDMO C=CCOc1cccc(C[N@@H+](C)CCc2ncc(C)s2)c1 ZINC000180058286 337173407 /nfs/dbraw/zinc/17/34/07/337173407.db2.gz CSSSEQWDWCAQJZ-UHFFFAOYSA-N 1 1 302.443 3.691 20 30 DHEDMO C#CCCCCC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000180394833 337174034 /nfs/dbraw/zinc/17/40/34/337174034.db2.gz VVLCQCXBVKUEPI-GOSISDBHSA-N 1 1 318.505 3.683 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000321094804 337197748 /nfs/dbraw/zinc/19/77/48/337197748.db2.gz NZUYSLQEIHKLAV-AWEZNQCLSA-N 1 1 312.388 3.769 20 30 DHEDMO C[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000321136017 337201157 /nfs/dbraw/zinc/20/11/57/337201157.db2.gz SIKIUQUUKJKOGD-HNNXBMFYSA-N 1 1 302.381 3.595 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCCCC#N ZINC000185937271 337251743 /nfs/dbraw/zinc/25/17/43/337251743.db2.gz VIFLXGGSXLEZRP-JYJNAYRXSA-N 1 1 306.450 3.655 20 30 DHEDMO CC#CCCCC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000185869542 337252277 /nfs/dbraw/zinc/25/22/77/337252277.db2.gz YTOCTZYXZMKNPT-SFHVURJKSA-N 1 1 318.505 3.683 20 30 DHEDMO Cc1ccc(C)c(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000429292942 337255348 /nfs/dbraw/zinc/25/53/48/337255348.db2.gz MAPVZMWCJUAWML-UHFFFAOYSA-N 1 1 321.424 3.636 20 30 DHEDMO C[N@@H+](CCC(=O)N[C@@](C)(C#N)C1CCCCC1)C1CCCCC1 ZINC000583237762 337282927 /nfs/dbraw/zinc/28/29/27/337282927.db2.gz FYQWVHVLOFYYFF-IBGZPJMESA-N 1 1 319.493 3.620 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc1F ZINC000191892853 337300814 /nfs/dbraw/zinc/30/08/14/337300814.db2.gz BLTRGEQJCNCICC-UHFFFAOYSA-N 1 1 308.356 3.692 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cc1F ZINC000191892853 337300815 /nfs/dbraw/zinc/30/08/15/337300815.db2.gz BLTRGEQJCNCICC-UHFFFAOYSA-N 1 1 308.356 3.692 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000399245634 337314473 /nfs/dbraw/zinc/31/44/73/337314473.db2.gz KAGMEFXHIYWYLH-NRFANRHFSA-N 1 1 320.436 3.791 20 30 DHEDMO C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(CCC#N)CC1 ZINC000583320040 337315263 /nfs/dbraw/zinc/31/52/63/337315263.db2.gz YEDMXYGOSXUNRH-HNNXBMFYSA-N 1 1 324.428 3.737 20 30 DHEDMO COc1ccc(-c2ccc(C[NH2+]C[C@H](C#N)CCC#N)cc2)cc1 ZINC000572465464 337664723 /nfs/dbraw/zinc/66/47/23/337664723.db2.gz POMHKKBWAUVVFV-KRWDZBQOSA-N 1 1 319.408 3.895 20 30 DHEDMO C=CCOc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423099519 337699303 /nfs/dbraw/zinc/69/93/03/337699303.db2.gz FIRNOECBBMRLFF-XUVXKRRUSA-N 1 1 314.473 3.652 20 30 DHEDMO C=CCn1cc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)nn1 ZINC000424295431 337816950 /nfs/dbraw/zinc/81/69/50/337816950.db2.gz MSHJXUKTLRPGJZ-SFHVURJKSA-N 1 1 314.408 3.624 20 30 DHEDMO C=C(C)C(C)(C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000424656999 337943948 /nfs/dbraw/zinc/94/39/48/337943948.db2.gz YXBJIGUUNLOCME-HNNXBMFYSA-N 1 1 316.445 3.621 20 30 DHEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H](CCO)c1ccccc1 ZINC000426450945 338032494 /nfs/dbraw/zinc/03/24/94/338032494.db2.gz OWXINZOPBSWZOE-LJQANCHMSA-N 1 1 313.828 3.747 20 30 DHEDMO CO[C@H](C)C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000426524727 338034028 /nfs/dbraw/zinc/03/40/28/338034028.db2.gz PSRWYJJYLAHICE-CQSZACIVSA-N 1 1 313.363 3.802 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1c(C(C)C)nc2sc(C)nn12 ZINC000426559490 338034713 /nfs/dbraw/zinc/03/47/13/338034713.db2.gz YGTCXYHIKHBYHO-ZDUSSCGKSA-N 1 1 304.463 3.763 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1c(C(C)C)nc2sc(C)nn12 ZINC000426559490 338034714 /nfs/dbraw/zinc/03/47/14/338034714.db2.gz YGTCXYHIKHBYHO-ZDUSSCGKSA-N 1 1 304.463 3.763 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1C#N ZINC000428211253 338042438 /nfs/dbraw/zinc/04/24/38/338042438.db2.gz WTEFPJLWRWVGJZ-UHFFFAOYSA-N 1 1 307.372 3.980 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1C#N ZINC000428211253 338042439 /nfs/dbraw/zinc/04/24/39/338042439.db2.gz WTEFPJLWRWVGJZ-UHFFFAOYSA-N 1 1 307.372 3.980 20 30 DHEDMO C=CCOc1ccc(C[N@H+](CC(C)(C)O)C2CC2)cc1Cl ZINC000428397356 338050180 /nfs/dbraw/zinc/05/01/80/338050180.db2.gz BVAFLODIAYTNEL-UHFFFAOYSA-N 1 1 309.837 3.640 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000428458549 338052987 /nfs/dbraw/zinc/05/29/87/338052987.db2.gz NZPHULBOIPEHMP-UHFFFAOYSA-N 1 1 312.388 3.771 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428919561 338065134 /nfs/dbraw/zinc/06/51/34/338065134.db2.gz GDOLKCGRODOOSM-GFCCVEGCSA-N 1 1 306.372 3.748 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428919561 338065135 /nfs/dbraw/zinc/06/51/35/338065135.db2.gz GDOLKCGRODOOSM-GFCCVEGCSA-N 1 1 306.372 3.748 20 30 DHEDMO CC(C)([NH2+]Cc1cccc(C#N)c1F)c1ccccc1[N+](=O)[O-] ZINC000429258017 338075092 /nfs/dbraw/zinc/07/50/92/338075092.db2.gz UCLAZJYFVXGNRO-UHFFFAOYSA-N 1 1 313.332 3.630 20 30 DHEDMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1CCC#N ZINC000429407291 338079856 /nfs/dbraw/zinc/07/98/56/338079856.db2.gz VIMGFONGBYROSX-FQEVSTJZSA-N 1 1 313.489 3.565 20 30 DHEDMO CCc1cc(OC)ccc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000430134715 338098503 /nfs/dbraw/zinc/09/85/03/338098503.db2.gz RQPKSGFYAZHAPR-CTNGQTDRSA-N 1 1 320.436 3.997 20 30 DHEDMO CCc1cc(OC)ccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000430134715 338098504 /nfs/dbraw/zinc/09/85/04/338098504.db2.gz RQPKSGFYAZHAPR-CTNGQTDRSA-N 1 1 320.436 3.997 20 30 DHEDMO C/C(=C/c1ccccc1)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430183338 338100026 /nfs/dbraw/zinc/10/00/26/338100026.db2.gz AKANXRMBVXRALA-QMDZLVRISA-N 1 1 319.408 3.510 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](CSC)C2)cc1OC ZINC000430198834 338100880 /nfs/dbraw/zinc/10/08/80/338100880.db2.gz QGQDAJRJULVMMP-INIZCTEOSA-N 1 1 321.486 3.835 20 30 DHEDMO CSC[C@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000430208226 338101427 /nfs/dbraw/zinc/10/14/27/338101427.db2.gz SYCHXVSJNGJZSX-KRWDZBQOSA-N 1 1 318.486 3.944 20 30 DHEDMO CC1=C[C@@H](C)C[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000430283025 338104105 /nfs/dbraw/zinc/10/41/05/338104105.db2.gz HOCSTASWJXGFBN-LLVKDONJSA-N 1 1 305.219 3.719 20 30 DHEDMO CC1=C[C@@H](C)C[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000430283025 338104106 /nfs/dbraw/zinc/10/41/06/338104106.db2.gz HOCSTASWJXGFBN-LLVKDONJSA-N 1 1 305.219 3.719 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000430280991 338104148 /nfs/dbraw/zinc/10/41/48/338104148.db2.gz BXGJDUJNCFSBLO-CQSZACIVSA-N 1 1 316.470 3.801 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430280991 338104149 /nfs/dbraw/zinc/10/41/49/338104149.db2.gz BXGJDUJNCFSBLO-CQSZACIVSA-N 1 1 316.470 3.801 20 30 DHEDMO CN(C)c1cccc(C[N@H+](C)Cc2cn3ccccc3c2C#N)c1 ZINC000432440693 338156586 /nfs/dbraw/zinc/15/65/86/338156586.db2.gz ISXNFMVCMLHWPT-UHFFFAOYSA-N 1 1 318.424 3.509 20 30 DHEDMO CN(C)c1cccc(C[N@@H+](C)Cc2cn3ccccc3c2C#N)c1 ZINC000432440693 338156587 /nfs/dbraw/zinc/15/65/87/338156587.db2.gz ISXNFMVCMLHWPT-UHFFFAOYSA-N 1 1 318.424 3.509 20 30 DHEDMO C=CCCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434745562 338224665 /nfs/dbraw/zinc/22/46/65/338224665.db2.gz XOTOXSLWCYDNKL-WDSOQIARSA-N 1 1 301.478 3.751 20 30 DHEDMO CC(C)[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000435230254 338234832 /nfs/dbraw/zinc/23/48/32/338234832.db2.gz BMVRFIYRJDIVRY-UHFFFAOYSA-N 1 1 304.397 3.617 20 30 DHEDMO C=CCC[C@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000435755410 338248078 /nfs/dbraw/zinc/24/80/78/338248078.db2.gz JHCWTVAFWCFAKI-JZXOWHBKSA-N 1 1 300.446 3.683 20 30 DHEDMO C=CC[N@H+](C)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000154795172 338252822 /nfs/dbraw/zinc/25/28/22/338252822.db2.gz XTIFDJJWAOMCND-UHFFFAOYSA-N 1 1 310.397 3.565 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000437849365 338323316 /nfs/dbraw/zinc/32/33/16/338323316.db2.gz GCVOFULZAPKVRI-MAUKXSAKSA-N 1 1 306.409 3.945 20 30 DHEDMO C=CCc1cc(C)cc(OC)c1OCCCn1cc[nH+]c1C ZINC000438295828 338338872 /nfs/dbraw/zinc/33/88/72/338338872.db2.gz RPLCYTLARNLBLW-UHFFFAOYSA-N 1 1 300.402 3.706 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CC)C1 ZINC000438481207 338345448 /nfs/dbraw/zinc/34/54/48/338345448.db2.gz COPPHWRTBAPVNS-CQSZACIVSA-N 1 1 304.459 3.635 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000439435094 338369188 /nfs/dbraw/zinc/36/91/88/338369188.db2.gz DIFBOHXYJRFFJS-NSHDSACASA-N 1 1 315.760 3.971 20 30 DHEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439447688 338369863 /nfs/dbraw/zinc/36/98/63/338369863.db2.gz GCIDLAOAWIXFDK-INIZCTEOSA-N 1 1 314.820 3.889 20 30 DHEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439447688 338369864 /nfs/dbraw/zinc/36/98/64/338369864.db2.gz GCIDLAOAWIXFDK-INIZCTEOSA-N 1 1 314.820 3.889 20 30 DHEDMO C[N@H+](CCCOCc1ccccc1)Cc1ccc(F)cc1C#N ZINC000439486366 338371591 /nfs/dbraw/zinc/37/15/91/338371591.db2.gz LFNZERZSDZSGFL-UHFFFAOYSA-N 1 1 312.388 3.736 20 30 DHEDMO C[N@@H+](CCCOCc1ccccc1)Cc1ccc(F)cc1C#N ZINC000439486366 338371592 /nfs/dbraw/zinc/37/15/92/338371592.db2.gz LFNZERZSDZSGFL-UHFFFAOYSA-N 1 1 312.388 3.736 20 30 DHEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000440763969 338396723 /nfs/dbraw/zinc/39/67/23/338396723.db2.gz UCFOLNDCUQPVPS-BLLLJJGKSA-N 1 1 317.433 3.607 20 30 DHEDMO C[C@@H]1CCc2nc(C[NH2+]Cc3ccc(C#N)c(F)c3)sc2C1 ZINC000449735153 338649081 /nfs/dbraw/zinc/64/90/81/338649081.db2.gz PUITWPKBOGPGGI-LLVKDONJSA-N 1 1 315.417 3.568 20 30 DHEDMO COCCSc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC000450666748 338697301 /nfs/dbraw/zinc/69/73/01/338697301.db2.gz INFZFSUFFIXEQE-CQSZACIVSA-N 1 1 304.459 3.770 20 30 DHEDMO C=C(CC)CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000456814676 338941743 /nfs/dbraw/zinc/94/17/43/338941743.db2.gz UTTFPKLWQOWSAH-INIZCTEOSA-N 1 1 315.461 3.576 20 30 DHEDMO C=C(C)CCNC(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000458994372 339010459 /nfs/dbraw/zinc/01/04/59/339010459.db2.gz FTJHZQGPGVBYTH-UHFFFAOYSA-N 1 1 323.525 3.742 20 30 DHEDMO CC[N@H+](CCc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459305761 339020532 /nfs/dbraw/zinc/02/05/32/339020532.db2.gz QAXYOMQMNLWKDB-UHFFFAOYSA-N 1 1 309.369 3.531 20 30 DHEDMO CC[N@@H+](CCc1ccccc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459305761 339020533 /nfs/dbraw/zinc/02/05/33/339020533.db2.gz QAXYOMQMNLWKDB-UHFFFAOYSA-N 1 1 309.369 3.531 20 30 DHEDMO C[C@@]1(c2ccccc2)CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459343956 339023171 /nfs/dbraw/zinc/02/31/71/339023171.db2.gz MRMVNCBAYHKHAO-LJQANCHMSA-N 1 1 321.380 3.630 20 30 DHEDMO C[C@@]1(c2ccccc2)CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459343956 339023172 /nfs/dbraw/zinc/02/31/72/339023172.db2.gz MRMVNCBAYHKHAO-LJQANCHMSA-N 1 1 321.380 3.630 20 30 DHEDMO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459357539 339024229 /nfs/dbraw/zinc/02/42/29/339024229.db2.gz ORHYOUYVFVEFNC-KGLIPLIRSA-N 1 1 319.430 3.572 20 30 DHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459357539 339024230 /nfs/dbraw/zinc/02/42/30/339024230.db2.gz ORHYOUYVFVEFNC-KGLIPLIRSA-N 1 1 319.430 3.572 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000459380902 339025873 /nfs/dbraw/zinc/02/58/73/339025873.db2.gz UHIKCZNJRKAAEZ-SFHVURJKSA-N 1 1 311.385 3.789 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000459380902 339025874 /nfs/dbraw/zinc/02/58/74/339025874.db2.gz UHIKCZNJRKAAEZ-SFHVURJKSA-N 1 1 311.385 3.789 20 30 DHEDMO Cc1cccc([C@@H]2CC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)c1 ZINC000459406217 339027382 /nfs/dbraw/zinc/02/73/82/339027382.db2.gz JBHVHTFBALQFPS-QGZVFWFLSA-N 1 1 321.380 3.764 20 30 DHEDMO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1OC ZINC000459672642 339042192 /nfs/dbraw/zinc/04/21/92/339042192.db2.gz YUVKKIFBGFEFOK-CQSZACIVSA-N 1 1 310.397 3.735 20 30 DHEDMO C=CCOCCC[N@H+](C)CCc1cccc(Br)c1 ZINC000463431108 339117600 /nfs/dbraw/zinc/11/76/00/339117600.db2.gz PJBQMGWBHZSSIC-UHFFFAOYSA-N 1 1 312.251 3.516 20 30 DHEDMO C=CCNC(=O)C[N@H+](C)[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000464776967 339152812 /nfs/dbraw/zinc/15/28/12/339152812.db2.gz VAKQSVTZOVLHTO-MRXNPFEDSA-N 1 1 308.425 3.649 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000466317213 339199422 /nfs/dbraw/zinc/19/94/22/339199422.db2.gz KGEJXPAUOBDMPK-MJGOQNOKSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CC[C@H](CC)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000466538186 339208769 /nfs/dbraw/zinc/20/87/69/339208769.db2.gz ASRGHOZCRDXASS-ROUUACIJSA-N 1 1 318.436 3.651 20 30 DHEDMO C=CC[C@H](CC)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000466538186 339208770 /nfs/dbraw/zinc/20/87/70/339208770.db2.gz ASRGHOZCRDXASS-ROUUACIJSA-N 1 1 318.436 3.651 20 30 DHEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000467295112 339230138 /nfs/dbraw/zinc/23/01/38/339230138.db2.gz ITLCVOLCCPKYFY-SNVBAGLBSA-N 1 1 301.217 3.828 20 30 DHEDMO C=CCC[N@H+](C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000467299923 339230394 /nfs/dbraw/zinc/23/03/94/339230394.db2.gz YHJMIXUFEMSLHA-IBGZPJMESA-N 1 1 311.425 3.601 20 30 DHEDMO C=CCC[N@H+](C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000467306248 339230803 /nfs/dbraw/zinc/23/08/03/339230803.db2.gz XDQCJMXWLRFGSF-MRXNPFEDSA-N 1 1 308.425 3.663 20 30 DHEDMO C=CCC[N@H+](C)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000467367476 339234364 /nfs/dbraw/zinc/23/43/64/339234364.db2.gz DCCUJBSHZUBWPX-UHFFFAOYSA-N 1 1 324.424 3.955 20 30 DHEDMO C=CCC[N@H+](C)Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000467377988 339235342 /nfs/dbraw/zinc/23/53/42/339235342.db2.gz QKKDXTDTLSOUPF-MRXNPFEDSA-N 1 1 309.837 3.906 20 30 DHEDMO N#Cc1cccc(CC[NH2+][C@@H](CCc2ccccc2)C(F)F)c1 ZINC000467436288 339238436 /nfs/dbraw/zinc/23/84/36/339238436.db2.gz WVODBYNZDYKUPI-SFHVURJKSA-N 1 1 314.379 3.957 20 30 DHEDMO CCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000468272459 339258385 /nfs/dbraw/zinc/25/83/85/339258385.db2.gz MJFBNPZMOXCJSH-CGTJXYLNSA-N 1 1 316.420 3.723 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCSC3(CCCCC3)C2)ccc1F ZINC000468287532 339258978 /nfs/dbraw/zinc/25/89/78/339258978.db2.gz QQYIPZVMFCSZBU-UHFFFAOYSA-N 1 1 304.434 3.949 20 30 DHEDMO C=CC[C@@H](C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC000468488099 339264049 /nfs/dbraw/zinc/26/40/49/339264049.db2.gz PJDMBNOHTDXOQC-MSOLQXFVSA-N 1 1 314.473 3.583 20 30 DHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000469990735 339307062 /nfs/dbraw/zinc/30/70/62/339307062.db2.gz KQDPWPYFTZQGOV-ZDUSSCGKSA-N 1 1 300.299 3.860 20 30 DHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000469990735 339307063 /nfs/dbraw/zinc/30/70/63/339307063.db2.gz KQDPWPYFTZQGOV-ZDUSSCGKSA-N 1 1 300.299 3.860 20 30 DHEDMO C=CCOCCC[N@@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000470761914 339326933 /nfs/dbraw/zinc/32/69/33/339326933.db2.gz ZVKXJYBMYPWODK-UHFFFAOYSA-N 1 1 301.430 3.767 20 30 DHEDMO C=CCOCCC[N@@H+]1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000470760566 339326958 /nfs/dbraw/zinc/32/69/58/339326958.db2.gz QOHIARNPXHGITJ-GOSISDBHSA-N 1 1 303.446 3.542 20 30 DHEDMO C=CCOCCC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000470764589 339327118 /nfs/dbraw/zinc/32/71/18/339327118.db2.gz HPSWMAZCDYTFLN-INIZCTEOSA-N 1 1 300.402 3.948 20 30 DHEDMO C=CCOCCC[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000470774374 339327536 /nfs/dbraw/zinc/32/75/36/339327536.db2.gz SMKKGEPKDTWTKR-IEBWSBKVSA-N 1 1 303.446 3.658 20 30 DHEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000470941671 339331880 /nfs/dbraw/zinc/33/18/80/339331880.db2.gz XVPGKROAOIWHAN-CABZTGNLSA-N 1 1 302.727 3.984 20 30 DHEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000470941671 339331881 /nfs/dbraw/zinc/33/18/81/339331881.db2.gz XVPGKROAOIWHAN-CABZTGNLSA-N 1 1 302.727 3.984 20 30 DHEDMO C=C(C)CN(Cc1ccccc1)C(=O)NCC[N@H+](C)CCCC ZINC000471924381 339357633 /nfs/dbraw/zinc/35/76/33/339357633.db2.gz UABHMNBYLOMCJN-UHFFFAOYSA-N 1 1 317.477 3.506 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000472775600 339377267 /nfs/dbraw/zinc/37/72/67/339377267.db2.gz QCDLHNRVASPFCZ-OAHLLOKOSA-N 1 1 313.363 3.997 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](CC)Cc1cccc(Br)c1 ZINC000472774427 339377434 /nfs/dbraw/zinc/37/74/34/339377434.db2.gz PTPVQTYAJBSBGU-HNNXBMFYSA-N 1 1 312.251 3.598 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000499047180 339381109 /nfs/dbraw/zinc/38/11/09/339381109.db2.gz BJLFEFIIVGVWGT-ZMSDIMECSA-N 1 1 320.502 3.820 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000499047180 339381110 /nfs/dbraw/zinc/38/11/10/339381110.db2.gz BJLFEFIIVGVWGT-ZMSDIMECSA-N 1 1 320.502 3.820 20 30 DHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCCC3(CC3)C2)cc1 ZINC000473434531 339385250 /nfs/dbraw/zinc/38/52/50/339385250.db2.gz CEOPMAZBPWKQCQ-UHFFFAOYSA-N 1 1 309.331 3.813 20 30 DHEDMO C=C(C)[C@H]([NH2+]CC(=O)NC1CCCCC1)c1ccc(F)c(F)c1 ZINC000481578062 339606951 /nfs/dbraw/zinc/60/69/51/339606951.db2.gz BSPRSVKZAWDZCI-SFHVURJKSA-N 1 1 322.399 3.621 20 30 DHEDMO C[C@@H]1C[C@@H](C)[N@@H+](CCCCC#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496410034 340004835 /nfs/dbraw/zinc/00/48/35/340004835.db2.gz INYILKMBNRLERI-BZUAXINKSA-N 1 1 323.481 3.551 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)NCC1CCCCC1 ZINC000499048495 340028483 /nfs/dbraw/zinc/02/84/83/340028483.db2.gz QTICVUFIPHKTHI-OAHLLOKOSA-N 1 1 320.502 3.821 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)NCC1CCCCC1 ZINC000499048495 340028484 /nfs/dbraw/zinc/02/84/84/340028484.db2.gz QTICVUFIPHKTHI-OAHLLOKOSA-N 1 1 320.502 3.821 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2ccc(C(C)C)cc2)C1=O ZINC000499584179 340040058 /nfs/dbraw/zinc/04/00/58/340040058.db2.gz REZKMNWRMYCCNK-RBUKOAKNSA-N 1 1 312.457 3.734 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000501207687 340076208 /nfs/dbraw/zinc/07/62/08/340076208.db2.gz HRXNGURWBQKGJM-HNNXBMFYSA-N 1 1 324.424 3.638 20 30 DHEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000501781075 340088620 /nfs/dbraw/zinc/08/86/20/340088620.db2.gz QKKVDDYAQJCXOO-LJQANCHMSA-N 1 1 306.409 3.644 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000502442981 340103704 /nfs/dbraw/zinc/10/37/04/340103704.db2.gz FGUNTWHZAFHPLY-PKOBYXMFSA-N 1 1 314.473 3.854 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000502442981 340103705 /nfs/dbraw/zinc/10/37/05/340103705.db2.gz FGUNTWHZAFHPLY-PKOBYXMFSA-N 1 1 314.473 3.854 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000502445240 340103812 /nfs/dbraw/zinc/10/38/12/340103812.db2.gz KUZZCHYTIKUZAL-QGZVFWFLSA-N 1 1 320.436 3.652 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000502445240 340103813 /nfs/dbraw/zinc/10/38/13/340103813.db2.gz KUZZCHYTIKUZAL-QGZVFWFLSA-N 1 1 320.436 3.652 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000502451325 340104125 /nfs/dbraw/zinc/10/41/25/340104125.db2.gz SDUWEWYHDJQTGO-OKZBNKHCSA-N 1 1 314.473 3.853 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000502451325 340104126 /nfs/dbraw/zinc/10/41/26/340104126.db2.gz SDUWEWYHDJQTGO-OKZBNKHCSA-N 1 1 314.473 3.853 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCc3cccc(F)c3C2)c1 ZINC000502503581 340106101 /nfs/dbraw/zinc/10/61/01/340106101.db2.gz FLCIVYCQBIDXFM-UHFFFAOYSA-N 1 1 310.372 3.525 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000503594752 340132058 /nfs/dbraw/zinc/13/20/58/340132058.db2.gz RERCESNRUKTUFH-MRXNPFEDSA-N 1 1 310.372 3.566 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000505023549 340159139 /nfs/dbraw/zinc/15/91/39/340159139.db2.gz MRARMIHEJZLNDB-MRXNPFEDSA-N 1 1 315.461 3.801 20 30 DHEDMO Cc1cccc(N2CC[NH+](Cc3cc(C#N)cs3)CC2)c1C ZINC000505859399 340179879 /nfs/dbraw/zinc/17/98/79/340179879.db2.gz VHVACAFAUHNPRP-UHFFFAOYSA-N 1 1 311.454 3.559 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc(OC)cc(OC)c1 ZINC000506016517 340183517 /nfs/dbraw/zinc/18/35/17/340183517.db2.gz IDJOHHFBXOUSSI-UHFFFAOYSA-N 1 1 303.427 3.954 20 30 DHEDMO CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)cc1OC ZINC000507110552 340207725 /nfs/dbraw/zinc/20/77/25/340207725.db2.gz LISPWXOQWHYSNW-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO C=C(C)CC[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000508991153 340257361 /nfs/dbraw/zinc/25/73/61/340257361.db2.gz OLJFAGRHHMVNHT-CYBMUJFWSA-N 1 1 300.324 3.520 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCc2c(Br)cccc2[C@@H]1C ZINC000509415617 340268657 /nfs/dbraw/zinc/26/86/57/340268657.db2.gz KGPDRZPHZUKGGP-STQMWFEESA-N 1 1 324.262 3.695 20 30 DHEDMO C=CC[N@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000510763544 340310308 /nfs/dbraw/zinc/31/03/08/340310308.db2.gz NHJCINPVNOKRFY-HNNXBMFYSA-N 1 1 303.450 3.948 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1)CC1CCCCC1 ZINC000303423950 340325104 /nfs/dbraw/zinc/32/51/04/340325104.db2.gz BKSTXCSCPJDADI-KRWDZBQOSA-N 1 1 314.473 3.932 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)cc1 ZINC000511666085 340334510 /nfs/dbraw/zinc/33/45/10/340334510.db2.gz TYIJSAGEXNYWGC-NRFANRHFSA-N 1 1 323.436 3.997 20 30 DHEDMO C=CCOc1cccc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c1 ZINC000511671868 340334746 /nfs/dbraw/zinc/33/47/46/340334746.db2.gz PAPTXUPJSIPLBU-NRFANRHFSA-N 1 1 323.436 3.997 20 30 DHEDMO N#Cc1cccc(OCC[N@H+](CCc2cccc(F)c2)C2CC2)c1 ZINC000303610735 340337745 /nfs/dbraw/zinc/33/77/45/340337745.db2.gz OMYCTJZFSDWZGF-UHFFFAOYSA-N 1 1 324.399 3.783 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000511970271 340344059 /nfs/dbraw/zinc/34/40/59/340344059.db2.gz BYIBCXPGHMFEPF-MRXNPFEDSA-N 1 1 306.409 3.979 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCSC3(CCCCC3)C2)c1F ZINC000512438785 340361759 /nfs/dbraw/zinc/36/17/59/340361759.db2.gz JYEHGUNVMSXLEH-UHFFFAOYSA-N 1 1 304.434 3.949 20 30 DHEDMO COc1c(C)cc(C[N@H+](C)Cc2cccc(C#N)c2F)cc1C ZINC000512449627 340362443 /nfs/dbraw/zinc/36/24/43/340362443.db2.gz JHJKTNKPABYNQO-UHFFFAOYSA-N 1 1 312.388 3.955 20 30 DHEDMO COc1c(C)cc(C[N@@H+](C)Cc2cccc(C#N)c2F)cc1C ZINC000512449627 340362444 /nfs/dbraw/zinc/36/24/44/340362444.db2.gz JHJKTNKPABYNQO-UHFFFAOYSA-N 1 1 312.388 3.955 20 30 DHEDMO CCC(CC)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)N(C)C ZINC000512621042 340369407 /nfs/dbraw/zinc/36/94/07/340369407.db2.gz URQIDNOZAZXBNK-UGSOOPFHSA-N 1 1 305.441 3.714 20 30 DHEDMO C[C@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512666198 340372026 /nfs/dbraw/zinc/37/20/26/340372026.db2.gz JFCKDTJZWSOXEA-ZNMIVQPWSA-N 1 1 303.425 3.611 20 30 DHEDMO C[C@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512666198 340372027 /nfs/dbraw/zinc/37/20/27/340372027.db2.gz JFCKDTJZWSOXEA-ZNMIVQPWSA-N 1 1 303.425 3.611 20 30 DHEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000512677417 340372622 /nfs/dbraw/zinc/37/26/22/340372622.db2.gz IVULFLTVLOCBLU-SFHVURJKSA-N 1 1 324.399 3.913 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)C(C2CC2)C2CC2)cc1OC ZINC000512687017 340373180 /nfs/dbraw/zinc/37/31/80/340373180.db2.gz LCSKCNMWLXVJAY-UHFFFAOYSA-N 1 1 301.430 3.880 20 30 DHEDMO CCC[N@@H+](CCCC(C)(C)C#N)C[C@H]1COc2ccccc2O1 ZINC000174819156 340396680 /nfs/dbraw/zinc/39/66/80/340396680.db2.gz FTJKLPSHVGPCRL-INIZCTEOSA-N 1 1 316.445 3.868 20 30 DHEDMO COC(=O)[C@H](C)C[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000174838098 340397197 /nfs/dbraw/zinc/39/71/97/340397197.db2.gz QUUDXLGQNJZKLK-MRXNPFEDSA-N 1 1 316.445 3.628 20 30 DHEDMO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(C)c2C)c1C#N ZINC000539288226 340879486 /nfs/dbraw/zinc/87/94/86/340879486.db2.gz CQVYJYQAGCLSLC-HNNXBMFYSA-N 1 1 322.408 3.813 20 30 DHEDMO CC(C)(C#N)CC[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000540663769 340940819 /nfs/dbraw/zinc/94/08/19/340940819.db2.gz BSRZUFRZCJSJDJ-SFHVURJKSA-N 1 1 321.424 3.896 20 30 DHEDMO COCC[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccco1 ZINC000541599143 340977079 /nfs/dbraw/zinc/97/70/79/340977079.db2.gz IIFDHMRSBQLZKU-INIZCTEOSA-N 1 1 303.789 3.652 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc([N+](=O)[O-])cc1C ZINC000542696074 341017532 /nfs/dbraw/zinc/01/75/32/341017532.db2.gz JCGFFPHYZDJQMG-UHFFFAOYSA-N 1 1 300.358 3.727 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1c(F)cccc1N1CCCC1 ZINC000130787707 341043957 /nfs/dbraw/zinc/04/39/57/341043957.db2.gz ZOVUBXMBRQRLRH-UHFFFAOYSA-N 1 1 323.415 3.930 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1c(F)cccc1N1CCCC1 ZINC000130787707 341043958 /nfs/dbraw/zinc/04/39/58/341043958.db2.gz ZOVUBXMBRQRLRH-UHFFFAOYSA-N 1 1 323.415 3.930 20 30 DHEDMO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000072073579 341060846 /nfs/dbraw/zinc/06/08/46/341060846.db2.gz YMERZHIQDQBMIQ-HNNXBMFYSA-N 1 1 309.388 3.581 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)cc1 ZINC000544059999 341068565 /nfs/dbraw/zinc/06/85/65/341068565.db2.gz OMJZPVFHWYLWHG-IBGZPJMESA-N 1 1 306.409 3.751 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000544142884 341072044 /nfs/dbraw/zinc/07/20/44/341072044.db2.gz DFRRGZYIVBJCAH-SFHVURJKSA-N 1 1 320.392 3.818 20 30 DHEDMO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(CC#N)CC2)s1 ZINC000545384466 341123582 /nfs/dbraw/zinc/12/35/82/341123582.db2.gz CSUXTQBJHBACCL-UHFFFAOYSA-N 1 1 303.353 3.596 20 30 DHEDMO CC[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000546104354 341154015 /nfs/dbraw/zinc/15/40/15/341154015.db2.gz IVPHASQIRCPTEU-LJQANCHMSA-N 1 1 313.489 3.913 20 30 DHEDMO CC[C@@H]1CN(CCCC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000546104354 341154016 /nfs/dbraw/zinc/15/40/16/341154016.db2.gz IVPHASQIRCPTEU-LJQANCHMSA-N 1 1 313.489 3.913 20 30 DHEDMO CC[C@@H]1CN(CCCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000546104354 341154017 /nfs/dbraw/zinc/15/40/17/341154017.db2.gz IVPHASQIRCPTEU-LJQANCHMSA-N 1 1 313.489 3.913 20 30 DHEDMO N#CCSCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000074982177 341158641 /nfs/dbraw/zinc/15/86/41/341158641.db2.gz LLILAQJHQJXDAE-OAHLLOKOSA-N 1 1 308.878 3.994 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OC)c(C)c1 ZINC000564307048 341177765 /nfs/dbraw/zinc/17/77/65/341177765.db2.gz SBLRKBAMRHAYEU-UHFFFAOYSA-N 1 1 315.413 3.667 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000075830860 341185015 /nfs/dbraw/zinc/18/50/15/341185015.db2.gz YASWIMBFELGSGC-SFHVURJKSA-N 1 1 302.393 3.621 20 30 DHEDMO N#Cc1csc(CNC[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000237849965 341221936 /nfs/dbraw/zinc/22/19/36/341221936.db2.gz IJNOGXCGFNSYGR-QGZVFWFLSA-N 1 1 317.502 3.754 20 30 DHEDMO N#Cc1csc(C[NH2+]C[C@H]2CCCN2CC2CCCCC2)c1 ZINC000237849965 341221937 /nfs/dbraw/zinc/22/19/37/341221937.db2.gz IJNOGXCGFNSYGR-QGZVFWFLSA-N 1 1 317.502 3.754 20 30 DHEDMO CCn1c2ccccc2nc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000077290785 341222559 /nfs/dbraw/zinc/22/25/59/341222559.db2.gz JIIHWVUOOXAZDX-CQSZACIVSA-N 1 1 304.397 3.779 20 30 DHEDMO CC(C)(C)OC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000135148550 341232171 /nfs/dbraw/zinc/23/21/71/341232171.db2.gz GCQNFHZZHADVGA-UHFFFAOYSA-N 1 1 305.849 3.971 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1C#N ZINC000135213590 341233374 /nfs/dbraw/zinc/23/33/74/341233374.db2.gz XZZOHFKDPNKJAI-LJQANCHMSA-N 1 1 321.424 3.643 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000548350343 341256543 /nfs/dbraw/zinc/25/65/43/341256543.db2.gz KDZLSONHUMTCSL-MRXNPFEDSA-N 1 1 300.450 3.755 20 30 DHEDMO CC(C)c1ccc(C[NH+]2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000549346183 341291989 /nfs/dbraw/zinc/29/19/89/341291989.db2.gz VTJHBEKUHVJYDG-UYAOXDASSA-N 1 1 311.473 3.620 20 30 DHEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000551147931 341332502 /nfs/dbraw/zinc/33/25/02/341332502.db2.gz KNISLPAKTGRWIH-SJORKVTESA-N 1 1 306.494 3.702 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2cnc3ccc(C#N)cn23)CCCC1(C)C ZINC000551820914 341353003 /nfs/dbraw/zinc/35/30/03/341353003.db2.gz FFUIZVNHILAXDP-QGZVFWFLSA-N 1 1 308.429 3.773 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000551956272 341356031 /nfs/dbraw/zinc/35/60/31/341356031.db2.gz XSTTWFMBFFNGRG-UHFFFAOYSA-N 1 1 324.428 3.660 20 30 DHEDMO Cc1noc(C)c1C(C)(C)[NH2+]CC#Cc1ccccc1Cl ZINC000552053805 341365355 /nfs/dbraw/zinc/36/53/55/341365355.db2.gz YIFIWDKXZYPQDF-UHFFFAOYSA-N 1 1 302.805 3.821 20 30 DHEDMO C=CCC1(C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)CCC1 ZINC000552455805 341394485 /nfs/dbraw/zinc/39/44/85/341394485.db2.gz HAQWFLLECDULDE-UHFFFAOYSA-N 1 1 304.478 3.527 20 30 DHEDMO C[C@@H]([NH2+][C@H]1COc2cccc(F)c21)c1ccc(OCC#N)cc1 ZINC000368431049 518178570 /nfs/dbraw/zinc/17/85/70/518178570.db2.gz BJNBDMYOHDUORM-WBMJQRKESA-N 1 1 312.344 3.512 20 30 DHEDMO CC(C)C[N@H+](Cc1nccn1C(C)C)Cc1ccc(C#N)cc1 ZINC000337347976 519718623 /nfs/dbraw/zinc/71/86/23/519718623.db2.gz NYFLETUXDIAPPI-UHFFFAOYSA-N 1 1 310.445 3.994 20 30 DHEDMO CC(C)C[N@@H+](Cc1nccn1C(C)C)Cc1ccc(C#N)cc1 ZINC000337347976 519718624 /nfs/dbraw/zinc/71/86/24/519718624.db2.gz NYFLETUXDIAPPI-UHFFFAOYSA-N 1 1 310.445 3.994 20 30 DHEDMO CC[N@@H+](Cc1cnc2ccccn12)[C@H](C)c1ccc(C#N)cc1 ZINC000157705495 521434704 /nfs/dbraw/zinc/43/47/04/521434704.db2.gz PVGVRUHZUPPTSB-OAHLLOKOSA-N 1 1 304.397 3.789 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(C#N)n(C)c2)cc1C ZINC000364830556 525415206 /nfs/dbraw/zinc/41/52/06/525415206.db2.gz NMXQDCSFBAFQEW-GOSISDBHSA-N 1 1 309.413 3.551 20 30 DHEDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CCN1C ZINC000180221267 525440167 /nfs/dbraw/zinc/44/01/67/525440167.db2.gz CRLWNFHPVLSASE-OXQOHEQNSA-N 1 1 319.452 3.798 20 30 DHEDMO C[C@@H]1C[C@H](NCc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000180221267 525440172 /nfs/dbraw/zinc/44/01/72/525440172.db2.gz CRLWNFHPVLSASE-OXQOHEQNSA-N 1 1 319.452 3.798 20 30 DHEDMO C[C@@H]1C[C@H](NCc2ccc(-c3ccccc3C#N)cc2)CC[N@H+]1C ZINC000180221267 525440176 /nfs/dbraw/zinc/44/01/76/525440176.db2.gz CRLWNFHPVLSASE-OXQOHEQNSA-N 1 1 319.452 3.798 20 30 DHEDMO C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)c1cccc(C#N)c1 ZINC000337204635 525596031 /nfs/dbraw/zinc/59/60/31/525596031.db2.gz IBPMIQFJDUDDRC-MEDUHNTESA-N 1 1 318.779 3.735 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000265231597 526035656 /nfs/dbraw/zinc/03/56/56/526035656.db2.gz QSXRCVMMHATBPV-MGPUTAFESA-N 1 1 306.409 3.865 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000156745783 526035913 /nfs/dbraw/zinc/03/59/13/526035913.db2.gz BFZHHCVIOJXWSV-YOEHRIQHSA-N 1 1 314.429 3.673 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000338326889 526073748 /nfs/dbraw/zinc/07/37/48/526073748.db2.gz BPUHNLYUUPKZDR-UTKZUKDTSA-N 1 1 320.436 3.645 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)c(F)c1 ZINC000181036410 526626615 /nfs/dbraw/zinc/62/66/15/526626615.db2.gz BUFKHNCTCTZWKJ-KRWDZBQOSA-N 1 1 314.335 3.840 20 30 DHEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191426925 526676850 /nfs/dbraw/zinc/67/68/50/526676850.db2.gz XLNBJDIDOUASCV-CYBMUJFWSA-N 1 1 316.474 3.978 20 30 DHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000249112583 526741666 /nfs/dbraw/zinc/74/16/66/526741666.db2.gz ODTSYAVYIRMXHK-MAUKXSAKSA-N 1 1 311.429 3.541 20 30 DHEDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000267608355 527117792 /nfs/dbraw/zinc/11/77/92/527117792.db2.gz WMTNOHLLZZEHQG-IBGZPJMESA-N 1 1 316.408 3.782 20 30 DHEDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000267608355 527117796 /nfs/dbraw/zinc/11/77/96/527117796.db2.gz WMTNOHLLZZEHQG-IBGZPJMESA-N 1 1 316.408 3.782 20 30 DHEDMO CC(C)[N@H+](Cc1nc2ccccc2n1C)Cc1ccc(C#N)cc1 ZINC000299547613 535120321 /nfs/dbraw/zinc/12/03/21/535120321.db2.gz IRUNHMHUBXADOA-UHFFFAOYSA-N 1 1 318.424 3.856 20 30 DHEDMO CC(C)[N@@H+](Cc1nc2ccccc2n1C)Cc1ccc(C#N)cc1 ZINC000299547613 535120323 /nfs/dbraw/zinc/12/03/23/535120323.db2.gz IRUNHMHUBXADOA-UHFFFAOYSA-N 1 1 318.424 3.856 20 30 DHEDMO CN(c1ccc(C(F)(F)F)cc1C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286400229 536488415 /nfs/dbraw/zinc/48/84/15/536488415.db2.gz OHSFMDGLZIRWFO-YIONKMFJSA-N 1 1 323.362 3.638 20 30 DHEDMO C=CCCCC[N@H+]1CCC(F)(F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001209206945 1013084195 /nfs/dbraw/zinc/08/41/95/1013084195.db2.gz CVROBCWPXMHRAI-CYBMUJFWSA-N 1 1 318.408 3.577 20 30 DHEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000931177598 1032062319 /nfs/dbraw/zinc/06/23/19/1032062319.db2.gz IPVPIMXTKRUBMF-VXLLPVPCSA-N 1 1 320.477 3.616 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001167123427 1013227143 /nfs/dbraw/zinc/22/71/43/1013227143.db2.gz STUVRUDRPMIYIO-LJQANCHMSA-N 1 1 324.399 3.913 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000426450050 1013235186 /nfs/dbraw/zinc/23/51/86/1013235186.db2.gz WKAXVYZGTCIHHP-GOSISDBHSA-N 1 1 303.833 3.584 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3OC)C2)cc1 ZINC000120759635 1013276200 /nfs/dbraw/zinc/27/62/00/1013276200.db2.gz ZLBPENKZUBKNGA-QGZVFWFLSA-N 1 1 322.408 3.565 20 30 DHEDMO C=CCCCCCC[N@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001209436136 1013279995 /nfs/dbraw/zinc/27/99/95/1013279995.db2.gz NWRIUAQDQIKKII-OALUTQOASA-N 1 1 307.478 3.783 20 30 DHEDMO C=CCCCCCCC[N@@H+]1CC[C@H](Oc2nccnc2C)C1 ZINC001209442792 1013290955 /nfs/dbraw/zinc/29/09/55/1013290955.db2.gz WMWWANJJNQNAGQ-KRWDZBQOSA-N 1 1 303.450 3.765 20 30 DHEDMO C=CCCCCCCCC[N@H+]1CCOC[C@@H]1CCC(=O)OC ZINC001209446329 1013294233 /nfs/dbraw/zinc/29/42/33/1013294233.db2.gz WMPAWYLMTCORPH-KRWDZBQOSA-N 1 1 311.466 3.557 20 30 DHEDMO C=CCCCCCCCC[N@@H+]1CCOC[C@@H]1CCC(=O)OC ZINC001209446329 1013294238 /nfs/dbraw/zinc/29/42/38/1013294238.db2.gz WMPAWYLMTCORPH-KRWDZBQOSA-N 1 1 311.466 3.557 20 30 DHEDMO N#Cc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cs1 ZINC000894408081 1013335415 /nfs/dbraw/zinc/33/54/15/1013335415.db2.gz XKIWXJFAPHZVBU-QYZOEREBSA-N 1 1 324.449 3.624 20 30 DHEDMO C#CCN(CC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCc2ccccc21 ZINC001167178516 1013361695 /nfs/dbraw/zinc/36/16/95/1013361695.db2.gz CRYJIOQXFQVHHZ-LVCYWYKZSA-N 1 1 310.485 3.587 20 30 DHEDMO CCN(Cc1csc(C#N)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000894455719 1013374575 /nfs/dbraw/zinc/37/45/75/1013374575.db2.gz IPDILFGJXYIUDY-UHFFFAOYSA-N 1 1 313.470 3.703 20 30 DHEDMO CC[N@@H+](Cc1ccc(C)c(C#N)c1)Cc1ccc(OC)cc1OC ZINC001167233342 1013421981 /nfs/dbraw/zinc/42/19/81/1013421981.db2.gz IZVXPKRDMZLAOF-UHFFFAOYSA-N 1 1 324.424 3.906 20 30 DHEDMO C[C@H]([NH2+]Cc1ccncc1C#N)c1cccc(OC(F)(F)F)c1 ZINC000828173608 1013520491 /nfs/dbraw/zinc/52/04/91/1013520491.db2.gz CPSBYIBFJGATOY-NSHDSACASA-N 1 1 321.302 3.703 20 30 DHEDMO CCC[N@H+](CCC(C)(C)C#N)CC(=O)Nc1ccc(Cl)cc1 ZINC000538466112 1013551917 /nfs/dbraw/zinc/55/19/17/1013551917.db2.gz DEQGCEJXLVUGQD-UHFFFAOYSA-N 1 1 321.852 3.930 20 30 DHEDMO CCC[N@@H+](CCC(C)(C)C#N)CC(=O)Nc1ccc(Cl)cc1 ZINC000538466112 1013551924 /nfs/dbraw/zinc/55/19/24/1013551924.db2.gz DEQGCEJXLVUGQD-UHFFFAOYSA-N 1 1 321.852 3.930 20 30 DHEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000248358825 1013604207 /nfs/dbraw/zinc/60/42/07/1013604207.db2.gz RFSSOIOOPPMDMP-MGPUTAFESA-N 1 1 319.408 3.580 20 30 DHEDMO C[C@H](C[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](C)CO)c1ccccc1 ZINC000519837941 1013612914 /nfs/dbraw/zinc/61/29/14/1013612914.db2.gz KARFYRCSZXMEJX-MSOLQXFVSA-N 1 1 322.452 3.739 20 30 DHEDMO C[N@H+](CC#Cc1ccccc1Cl)CCCC(=O)OC(C)(C)C ZINC000441148135 1013677647 /nfs/dbraw/zinc/67/76/47/1013677647.db2.gz AVBQHIOLKUXBII-UHFFFAOYSA-N 1 1 321.848 3.745 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1ccc(I)cc1 ZINC000441191295 1013683350 /nfs/dbraw/zinc/68/33/50/1013683350.db2.gz VDXQESWXFPHCLN-UHFFFAOYSA-N 1 1 315.198 3.689 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC2(CCOCC2)[C@H]1C(C)C ZINC000894920243 1013741916 /nfs/dbraw/zinc/74/19/16/1013741916.db2.gz OWUDQKXVNFMECK-LJQANCHMSA-N 1 1 312.457 3.812 20 30 DHEDMO Cc1ncsc1/C=C/C(=O)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000177616510 1013770667 /nfs/dbraw/zinc/77/06/67/1013770667.db2.gz OVIIYSMISKVPOA-BQYQJAHWSA-N 1 1 309.394 3.842 20 30 DHEDMO CC(C)c1nnc(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)s1 ZINC000328804858 1013796407 /nfs/dbraw/zinc/79/64/07/1013796407.db2.gz HLYAQJOXZGAOFF-VXGBXAGGSA-N 1 1 322.478 3.760 20 30 DHEDMO CC(C)c1nnc(NC(=O)C[N@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)s1 ZINC000328804858 1013796414 /nfs/dbraw/zinc/79/64/14/1013796414.db2.gz HLYAQJOXZGAOFF-VXGBXAGGSA-N 1 1 322.478 3.760 20 30 DHEDMO Cc1nc2cc(NC(=O)CC[N@@H+]3CCCC[C@H]3C)ccc2o1 ZINC000328800044 1013799278 /nfs/dbraw/zinc/79/92/78/1013799278.db2.gz YCISDXFUYASJJA-GFCCVEGCSA-N 1 1 301.390 3.989 20 30 DHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ncoc2C2CC2)C1 ZINC000328842190 1013801330 /nfs/dbraw/zinc/80/13/30/1013801330.db2.gz HYGCDQCUYYTNMK-CYBMUJFWSA-N 1 1 319.449 3.757 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cc(C)no2)cc1 ZINC000125699376 1013834978 /nfs/dbraw/zinc/83/49/78/1013834978.db2.gz ZNWYPYHFZMPMON-CYBMUJFWSA-N 1 1 306.793 3.965 20 30 DHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2c(C)noc2C)C1 ZINC000330721654 1013835065 /nfs/dbraw/zinc/83/50/65/1013835065.db2.gz FNJVYGAGGXMYDA-AWEZNQCLSA-N 1 1 322.453 3.518 20 30 DHEDMO Cn1cc(C[NH2+]Cc2cc(Cl)sc2Cl)cc1C#N ZINC000312753675 1014072976 /nfs/dbraw/zinc/07/29/76/1014072976.db2.gz ZJNCRWGTSBTBFV-UHFFFAOYSA-N 1 1 300.214 3.555 20 30 DHEDMO C#CCOc1ccccc1C[NH2+]Cc1ccccc1OC(C)C ZINC000077507057 1014245887 /nfs/dbraw/zinc/24/58/87/1014245887.db2.gz QIPISNJNQNIPPN-UHFFFAOYSA-N 1 1 309.409 3.776 20 30 DHEDMO CC(C)[N@@H+](C)CC1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000580695499 1014294953 /nfs/dbraw/zinc/29/49/53/1014294953.db2.gz IYVWBWGQOUAMEG-UHFFFAOYSA-N 1 1 305.853 3.768 20 30 DHEDMO CC(C)C[C@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441522986 1014317588 /nfs/dbraw/zinc/31/75/88/1014317588.db2.gz KYVHQGVHFXSPBF-MRXNPFEDSA-N 1 1 310.401 3.619 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)c1 ZINC000580862142 1014410661 /nfs/dbraw/zinc/41/06/61/1014410661.db2.gz HSHDUUBAMUARHP-FQEVSTJZSA-N 1 1 322.383 3.667 20 30 DHEDMO CCC(CC)[N@H+](CC(=O)Nc1sccc1C#N)CC(C)C ZINC000177864874 1014473631 /nfs/dbraw/zinc/47/36/31/1014473631.db2.gz MWNHGZXBNZTBCZ-UHFFFAOYSA-N 1 1 307.463 3.705 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2)C2CC2)cc1 ZINC001167442703 1014516821 /nfs/dbraw/zinc/51/68/21/1014516821.db2.gz HRSOPWMASSATOW-UHFFFAOYSA-N 1 1 318.420 3.661 20 30 DHEDMO C=CCOc1cccc(CNCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000520956142 1014621044 /nfs/dbraw/zinc/62/10/44/1014621044.db2.gz AVCZJRDHEVFHDD-QGZVFWFLSA-N 1 1 316.489 3.852 20 30 DHEDMO C=CCOc1cccc(CNCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000520956142 1014621047 /nfs/dbraw/zinc/62/10/47/1014621047.db2.gz AVCZJRDHEVFHDD-QGZVFWFLSA-N 1 1 316.489 3.852 20 30 DHEDMO C=CCOc1cccc(CNCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000520956141 1014621406 /nfs/dbraw/zinc/62/14/06/1014621406.db2.gz AVCZJRDHEVFHDD-KRWDZBQOSA-N 1 1 316.489 3.852 20 30 DHEDMO C=CCOc1cccc(CNCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000520956141 1014621410 /nfs/dbraw/zinc/62/14/10/1014621410.db2.gz AVCZJRDHEVFHDD-KRWDZBQOSA-N 1 1 316.489 3.852 20 30 DHEDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3ccc(C)c(C#N)c3)C2)n1 ZINC000933124836 1014658533 /nfs/dbraw/zinc/65/85/33/1014658533.db2.gz HCYLOMPYKDIIHF-MRXNPFEDSA-N 1 1 311.454 3.696 20 30 DHEDMO CC(C)CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)C1CCCC1 ZINC000521189683 1014660247 /nfs/dbraw/zinc/66/02/47/1014660247.db2.gz NSEQMWRYLCCZON-UHFFFAOYSA-N 1 1 319.493 3.620 20 30 DHEDMO COc1cc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)ccc1C#N ZINC000442802550 1014739462 /nfs/dbraw/zinc/73/94/62/1014739462.db2.gz QABCLPFMACNQQB-QRWLVFNGSA-N 1 1 322.408 3.529 20 30 DHEDMO COc1cc(C[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)ccc1C#N ZINC000442802550 1014739469 /nfs/dbraw/zinc/73/94/69/1014739469.db2.gz QABCLPFMACNQQB-QRWLVFNGSA-N 1 1 322.408 3.529 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)ccc1C#N ZINC000442888730 1014761993 /nfs/dbraw/zinc/76/19/93/1014761993.db2.gz HKDRHQJDQDXYHC-LJQANCHMSA-N 1 1 321.424 3.643 20 30 DHEDMO C=C[C@](C)(CC)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000442960113 1014778939 /nfs/dbraw/zinc/77/89/39/1014778939.db2.gz BEAMNERJIJHMSA-LJQANCHMSA-N 1 1 302.462 3.745 20 30 DHEDMO C#CCC1([NH2+]Cc2ncsc2Br)CCCCC1 ZINC000933266222 1014803737 /nfs/dbraw/zinc/80/37/37/1014803737.db2.gz RSUQVNPFKVCIOY-UHFFFAOYSA-N 1 1 313.264 3.721 20 30 DHEDMO CC[N@@H+](CCOc1ccccc1C#N)CCc1cccs1 ZINC000521818116 1014808035 /nfs/dbraw/zinc/80/80/35/1014808035.db2.gz NUJLGTRJIMZXTK-UHFFFAOYSA-N 1 1 300.427 3.563 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@@H](C)CC)cc1 ZINC001167461465 1014843340 /nfs/dbraw/zinc/84/33/40/1014843340.db2.gz JNEHUNHXHVFKQK-LPHOPBHVSA-N 1 1 312.457 3.897 20 30 DHEDMO C=CCOc1ccc(C[N@H+](CCC(=O)OCC)C(C)(C)C)cc1 ZINC001168016647 1014912143 /nfs/dbraw/zinc/91/21/43/1014912143.db2.gz CHJFWLDXXNPGBU-UHFFFAOYSA-N 1 1 319.445 3.805 20 30 DHEDMO CC[N@@H+](CCCOc1cccc(C(F)(F)F)c1)C[C@H](C)C#N ZINC000522230206 1014974300 /nfs/dbraw/zinc/97/43/00/1014974300.db2.gz WMGHYFQNWNARIS-CYBMUJFWSA-N 1 1 314.351 3.956 20 30 DHEDMO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000443658095 1015079492 /nfs/dbraw/zinc/07/94/92/1015079492.db2.gz NHVAJFXEAGNZMQ-VDGAXYAQSA-N 1 1 310.441 3.924 20 30 DHEDMO C=CCOc1ccc(C[N@H+](CCn2cccn2)C(C)(C)C)cc1 ZINC000474154303 1015116957 /nfs/dbraw/zinc/11/69/57/1015116957.db2.gz QKFHAWHRLCMKDA-UHFFFAOYSA-N 1 1 313.445 3.749 20 30 DHEDMO C[N@H+](Cc1ccc(Br)cc1C#N)C[C@H]1CC1(C)C ZINC001141814879 1015188214 /nfs/dbraw/zinc/18/82/14/1015188214.db2.gz TZFRJNHKQXHOBH-CYBMUJFWSA-N 1 1 307.235 3.799 20 30 DHEDMO C[N@H+](Cc1csc(C#N)c1)Cc1ccc(OC(F)F)cc1 ZINC000891473925 1015310145 /nfs/dbraw/zinc/31/01/45/1015310145.db2.gz KODXUQPOZDUVNA-UHFFFAOYSA-N 1 1 308.353 3.853 20 30 DHEDMO C[N@@H+](Cc1csc(C#N)c1)Cc1ccc(OC(F)F)cc1 ZINC000891473925 1015310157 /nfs/dbraw/zinc/31/01/57/1015310157.db2.gz KODXUQPOZDUVNA-UHFFFAOYSA-N 1 1 308.353 3.853 20 30 DHEDMO N#Cc1cc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)cs1 ZINC000891548122 1015375660 /nfs/dbraw/zinc/37/56/60/1015375660.db2.gz YEPXDAFVPGZTPQ-UHFFFAOYSA-N 1 1 310.422 3.715 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNc3cc(C#N)ccn3)cc2)C1 ZINC000341526146 1015437227 /nfs/dbraw/zinc/43/72/27/1015437227.db2.gz CLIQQGDMUWLGKV-INIZCTEOSA-N 1 1 320.440 3.797 20 30 DHEDMO CC(C)[N@@H+](Cc1ccnn1C1CCC1)Cc1ccc(C#N)cc1 ZINC000891623890 1015462293 /nfs/dbraw/zinc/46/22/93/1015462293.db2.gz QTUZGFBWSDELKR-UHFFFAOYSA-N 1 1 308.429 3.890 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1F)Cc1cccs1 ZINC000054427182 1015499793 /nfs/dbraw/zinc/49/97/93/1015499793.db2.gz VXSZDBOTNOFJCL-UHFFFAOYSA-N 1 1 318.417 3.904 20 30 DHEDMO COCC[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933773120 1015662316 /nfs/dbraw/zinc/66/23/16/1015662316.db2.gz CUYRDOYDCKVCQG-KRWDZBQOSA-N 1 1 300.427 3.829 20 30 DHEDMO CCSc1nnc(NC(=O)CC[C@H]2CCCC[N@H+]2C)s1 ZINC000329226361 1015663441 /nfs/dbraw/zinc/66/34/41/1015663441.db2.gz AJIRAYGSYFVHMY-SNVBAGLBSA-N 1 1 314.480 3.503 20 30 DHEDMO C=CCOc1ccc(C[NH+]2CC(COC)(C3CC3)C2)cc1Cl ZINC000639380606 1015701019 /nfs/dbraw/zinc/70/10/19/1015701019.db2.gz TYLBYDXFCKURKW-UHFFFAOYSA-N 1 1 321.848 3.763 20 30 DHEDMO Cc1nnc([C@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)s1 ZINC000329536551 1015732636 /nfs/dbraw/zinc/73/26/36/1015732636.db2.gz ULOUWBJIIYQBJK-WCQYABFASA-N 1 1 322.478 3.519 20 30 DHEDMO Cc1cc(C#N)cc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000341824060 1015756939 /nfs/dbraw/zinc/75/69/39/1015756939.db2.gz NUUOMVMCURGTOV-MAUKXSAKSA-N 1 1 306.413 3.509 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](O)C1CCCCC1 ZINC000475021412 1015768537 /nfs/dbraw/zinc/76/85/37/1015768537.db2.gz BYKMQJCYNYEANX-AABGKKOBSA-N 1 1 312.457 3.699 20 30 DHEDMO C=C1CC(c2noc(C[C@H](c3[nH]cc[nH+]3)c3ccccc3)n2)C1 ZINC000896875779 1015793059 /nfs/dbraw/zinc/79/30/59/1015793059.db2.gz OETRXYAJVIGBKI-HNNXBMFYSA-N 1 1 306.369 3.601 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)C1CCCCC1 ZINC000475045290 1015798355 /nfs/dbraw/zinc/79/83/55/1015798355.db2.gz CWWMBPPSFUDSHV-SFHVURJKSA-N 1 1 318.417 3.524 20 30 DHEDMO CC[N@@H+](C[C@H](O)CC1CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000475047953 1015803326 /nfs/dbraw/zinc/80/33/26/1015803326.db2.gz NTLSKKFISFCWBC-DNVCBOLYSA-N 1 1 300.446 3.882 20 30 DHEDMO C=C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000341980393 1015860792 /nfs/dbraw/zinc/86/07/92/1015860792.db2.gz GWXAICMEONDRST-UONOGXRCSA-N 1 1 306.837 3.558 20 30 DHEDMO N#Cc1cc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)ccn1 ZINC000610956300 1015964927 /nfs/dbraw/zinc/96/49/27/1015964927.db2.gz XZENAAXWRBBEPR-HXUWFJFHSA-N 1 1 317.367 3.972 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)ccn1 ZINC000610993730 1015998253 /nfs/dbraw/zinc/99/82/53/1015998253.db2.gz FJWTXAMMHGPRIS-INIZCTEOSA-N 1 1 309.438 3.567 20 30 DHEDMO C=CCOCCC[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000342155395 1016087389 /nfs/dbraw/zinc/08/73/89/1016087389.db2.gz DOWWMZGFIJFDPO-IBGZPJMESA-N 1 1 301.430 3.550 20 30 DHEDMO COCC#CC[N@@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000684668616 1016153045 /nfs/dbraw/zinc/15/30/45/1016153045.db2.gz RVDXVVGQIHYQSC-MRXNPFEDSA-N 1 1 322.246 3.544 20 30 DHEDMO COCC#CC[N@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC000684668616 1016153048 /nfs/dbraw/zinc/15/30/48/1016153048.db2.gz RVDXVVGQIHYQSC-MRXNPFEDSA-N 1 1 322.246 3.544 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000342271342 1016213727 /nfs/dbraw/zinc/21/37/27/1016213727.db2.gz LTKWIGRXZBREGY-AWEZNQCLSA-N 1 1 311.429 3.960 20 30 DHEDMO C=CCOC1CCC([NH2+][C@@H](CC2CCCCC2)C(=O)OC)CC1 ZINC001173316013 1033708953 /nfs/dbraw/zinc/70/89/53/1033708953.db2.gz WHKXUHFCLQTLEJ-ABHNRTSZSA-N 1 1 323.477 3.602 20 30 DHEDMO CCC[N@H+](CCC(C)(C)C#N)CC(=O)Nc1ccccc1C ZINC000157566939 1016285461 /nfs/dbraw/zinc/28/54/61/1016285461.db2.gz IMDKJXUYDCSRTD-UHFFFAOYSA-N 1 1 301.434 3.585 20 30 DHEDMO CCC[N@@H+](CCC(C)(C)C#N)CC(=O)Nc1ccccc1C ZINC000157566939 1016285467 /nfs/dbraw/zinc/28/54/67/1016285467.db2.gz IMDKJXUYDCSRTD-UHFFFAOYSA-N 1 1 301.434 3.585 20 30 DHEDMO C[N@@H+](CCCNc1snc(Cl)c1C#N)Cc1ccccc1 ZINC000051451045 1016393863 /nfs/dbraw/zinc/39/38/63/1016393863.db2.gz FOGCMNDLDFCOEI-UHFFFAOYSA-N 1 1 320.849 3.602 20 30 DHEDMO CC(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000481075797 1034572808 /nfs/dbraw/zinc/57/28/08/1034572808.db2.gz OGMUBHLDGPDQGB-ZDUSSCGKSA-N 1 1 307.235 3.799 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143444284 1016548488 /nfs/dbraw/zinc/54/84/88/1016548488.db2.gz ZWPYCOSVNJPUSQ-LLVKDONJSA-N 1 1 316.298 3.850 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143444284 1016548498 /nfs/dbraw/zinc/54/84/98/1016548498.db2.gz ZWPYCOSVNJPUSQ-LLVKDONJSA-N 1 1 316.298 3.850 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143444287 1016549114 /nfs/dbraw/zinc/54/91/14/1016549114.db2.gz ZWPYCOSVNJPUSQ-NSHDSACASA-N 1 1 316.298 3.850 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143444287 1016549126 /nfs/dbraw/zinc/54/91/26/1016549126.db2.gz ZWPYCOSVNJPUSQ-NSHDSACASA-N 1 1 316.298 3.850 20 30 DHEDMO N#Cc1ccc(C2=CC[N@H+](Cc3cnn(C4CCC4)c3)CC2)cc1 ZINC000892246163 1016568311 /nfs/dbraw/zinc/56/83/11/1016568311.db2.gz NAGVPTCQDCYGMP-UHFFFAOYSA-N 1 1 318.424 3.769 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cnn(C4CCC4)c3)CC2)cc1 ZINC000892246163 1016568325 /nfs/dbraw/zinc/56/83/25/1016568325.db2.gz NAGVPTCQDCYGMP-UHFFFAOYSA-N 1 1 318.424 3.769 20 30 DHEDMO C=CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC001167563053 1016580905 /nfs/dbraw/zinc/58/09/05/1016580905.db2.gz SOYWGGHEULZIQE-GOSISDBHSA-N 1 1 300.446 3.627 20 30 DHEDMO COc1nc(C)cc(C)c1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000346829706 1016593605 /nfs/dbraw/zinc/59/36/05/1016593605.db2.gz GYWUDNAXQVAHEQ-UHFFFAOYSA-N 1 1 323.440 3.989 20 30 DHEDMO C[C@H]([NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000540706901 1016598299 /nfs/dbraw/zinc/59/82/99/1016598299.db2.gz JKGUYEDBTQUBEO-ZRGWGRIASA-N 1 1 317.452 3.858 20 30 DHEDMO Cc1cc(Br)ccc1C[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000582373545 1016636025 /nfs/dbraw/zinc/63/60/25/1016636025.db2.gz XTZYIFOIRHHYGJ-DOMZBBRYSA-N 1 1 307.235 3.882 20 30 DHEDMO Cn1c2cc(F)ccc2[nH+]c1N[C@H](CCC#N)c1ccccc1 ZINC000431410470 1016746526 /nfs/dbraw/zinc/74/65/26/1016746526.db2.gz PROAQUSLFWGTIY-OAHLLOKOSA-N 1 1 308.360 4.169 20 30 DHEDMO COc1ccc(C[N@H+]2CCCC[C@H]2C)cc1OCCCC#N ZINC000158946274 1016837049 /nfs/dbraw/zinc/83/70/49/1016837049.db2.gz XKEJIYLTVPEIPC-OAHLLOKOSA-N 1 1 302.418 3.752 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)s1 ZINC000127792042 1016869224 /nfs/dbraw/zinc/86/92/24/1016869224.db2.gz LBJPNRDINHEDBY-UHFFFAOYSA-N 1 1 317.845 3.595 20 30 DHEDMO Cc1c(F)cccc1NC(=O)CC[N@H+](CCC#N)CCC(C)C ZINC000444235614 1016888449 /nfs/dbraw/zinc/88/84/49/1016888449.db2.gz YFTSBYCNUXDTPM-UHFFFAOYSA-N 1 1 319.424 3.725 20 30 DHEDMO C=CC[N@H+](Cc1nccc(OC)c1OC)CC1CCCCC1 ZINC000475068195 1016926763 /nfs/dbraw/zinc/92/67/63/1016926763.db2.gz NVAFHFVXOWELKM-UHFFFAOYSA-N 1 1 304.434 3.667 20 30 DHEDMO C=CCCC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000665588221 1016949473 /nfs/dbraw/zinc/94/94/73/1016949473.db2.gz NRXZHDCXNFPEIC-IAGOWNOFSA-N 1 1 321.509 3.637 20 30 DHEDMO C=CCCC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000665588220 1016950255 /nfs/dbraw/zinc/95/02/55/1016950255.db2.gz NRXZHDCXNFPEIC-DLBZAZTESA-N 1 1 321.509 3.637 20 30 DHEDMO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000896985324 1016976920 /nfs/dbraw/zinc/97/69/20/1016976920.db2.gz SQVKBARDMZBLNI-OAHLLOKOSA-N 1 1 323.481 3.553 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000523006447 1017025672 /nfs/dbraw/zinc/02/56/72/1017025672.db2.gz CQXBEMPIPZGZCP-OAHLLOKOSA-N 1 1 312.363 3.901 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000186230255 1017056326 /nfs/dbraw/zinc/05/63/26/1017056326.db2.gz CCXZDWUGXDDTDO-UHFFFAOYSA-N 1 1 306.409 3.985 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000186241886 1017057765 /nfs/dbraw/zinc/05/77/65/1017057765.db2.gz GKZJABOESNFNQB-FQEVSTJZSA-N 1 1 320.436 3.905 20 30 DHEDMO C=CC(C)(C)CCNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000623465994 1017058959 /nfs/dbraw/zinc/05/89/59/1017058959.db2.gz MLPWNOOYJPJQMQ-INIZCTEOSA-N 1 1 309.498 3.543 20 30 DHEDMO N#Cc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000176943160 1017058994 /nfs/dbraw/zinc/05/89/94/1017058994.db2.gz NYNKPCYAMMMSHG-UHFFFAOYSA-N 1 1 311.454 3.505 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000847022489 1032181962 /nfs/dbraw/zinc/18/19/62/1032181962.db2.gz HVIHILPURVNHJW-CYBMUJFWSA-N 1 1 300.789 3.840 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000847022489 1032181965 /nfs/dbraw/zinc/18/19/65/1032181965.db2.gz HVIHILPURVNHJW-CYBMUJFWSA-N 1 1 300.789 3.840 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3F)s2)C1 ZINC000847020938 1032181699 /nfs/dbraw/zinc/18/16/99/1032181699.db2.gz GTVMTVBPUWCIJF-QWHCGFSZSA-N 1 1 315.417 3.750 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccccc3F)s2)C1 ZINC000847020938 1032181705 /nfs/dbraw/zinc/18/17/05/1032181705.db2.gz GTVMTVBPUWCIJF-QWHCGFSZSA-N 1 1 315.417 3.750 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(OCC)cc3)n2)C1 ZINC000847021381 1032182333 /nfs/dbraw/zinc/18/23/33/1032182333.db2.gz KVGGLEVORPBXJW-OAHLLOKOSA-N 1 1 310.397 3.586 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(OCC)cc3)n2)C1 ZINC000847021381 1032182338 /nfs/dbraw/zinc/18/23/38/1032182338.db2.gz KVGGLEVORPBXJW-OAHLLOKOSA-N 1 1 310.397 3.586 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)C1 ZINC000847026201 1032184053 /nfs/dbraw/zinc/18/40/53/1032184053.db2.gz DSEALKCOUMBQQU-BRWVUGGUSA-N 1 1 312.457 3.872 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[C@H](C)CC)C1 ZINC000847026201 1032184055 /nfs/dbraw/zinc/18/40/55/1032184055.db2.gz DSEALKCOUMBQQU-BRWVUGGUSA-N 1 1 312.457 3.872 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@H+]2CCCC2CCCCC2)C1=O ZINC001275764089 1032192041 /nfs/dbraw/zinc/19/20/41/1032192041.db2.gz ZTXDGNOIORPFCY-LJQANCHMSA-N 1 1 304.478 3.600 20 30 DHEDMO COCC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CC[C@@H](C)C1 ZINC000362169391 1032258888 /nfs/dbraw/zinc/25/88/88/1032258888.db2.gz GXRWLBNYSXTJLQ-CXAGYDPISA-N 1 1 306.837 3.849 20 30 DHEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000772987268 1032369128 /nfs/dbraw/zinc/36/91/28/1032369128.db2.gz HWMFAFBAKPQANA-CQSZACIVSA-N 1 1 313.372 3.697 20 30 DHEDMO C=CCC[C@@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CC1 ZINC000120944536 1032405595 /nfs/dbraw/zinc/40/55/95/1032405595.db2.gz KNCLPXYJEWCKSI-TZIWHRDSSA-N 1 1 312.501 3.885 20 30 DHEDMO C#CC[N@@H+](Cc1cc(=O)oc2cc(CC)c(Cl)cc12)C1CC1 ZINC000763957550 1017082273 /nfs/dbraw/zinc/08/22/73/1017082273.db2.gz CRPRHHXJMKLXLP-UHFFFAOYSA-N 1 1 315.800 3.606 20 30 DHEDMO C#CC[N@H+](Cc1cc(=O)oc2cc(CC)c(Cl)cc12)C1CC1 ZINC000763957550 1017082282 /nfs/dbraw/zinc/08/22/82/1017082282.db2.gz CRPRHHXJMKLXLP-UHFFFAOYSA-N 1 1 315.800 3.606 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N[C@@H](C)c1ccccc1 ZINC000060168339 1032495061 /nfs/dbraw/zinc/49/50/61/1032495061.db2.gz LQIWGNMYMXRJMB-SFHVURJKSA-N 1 1 322.452 3.595 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N[C@@H](C)c1ccccc1 ZINC000060168339 1032495065 /nfs/dbraw/zinc/49/50/65/1032495065.db2.gz LQIWGNMYMXRJMB-SFHVURJKSA-N 1 1 322.452 3.595 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)(C)CCC#N ZINC000092646431 1032506481 /nfs/dbraw/zinc/50/64/81/1032506481.db2.gz VGUBGCIUYCNBMR-UHFFFAOYSA-N 1 1 301.390 3.913 20 30 DHEDMO C=CCc1cc(C[N@H+](CCC#N)CC(C)(C)C)cc(OC)c1O ZINC000093101156 1032521824 /nfs/dbraw/zinc/52/18/24/1032521824.db2.gz UMQHEJJBOMUVPC-UHFFFAOYSA-N 1 1 316.445 3.891 20 30 DHEDMO C=CCc1cc(C[N@@H+](CCC#N)CC(C)(C)C)cc(OC)c1O ZINC000093101156 1032521831 /nfs/dbraw/zinc/52/18/31/1032521831.db2.gz UMQHEJJBOMUVPC-UHFFFAOYSA-N 1 1 316.445 3.891 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C)CC2CCOCC2)ccc1OC ZINC000093315097 1032529712 /nfs/dbraw/zinc/52/97/12/1032529712.db2.gz XNZTVHOYRHZXKR-UHFFFAOYSA-N 1 1 319.445 3.509 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)cc1Cl ZINC000093482108 1032540111 /nfs/dbraw/zinc/54/01/11/1032540111.db2.gz QNPDKXYSUVCKBP-DZGCQCFKSA-N 1 1 309.837 3.640 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2CSC)cc1OC ZINC000093761200 1032554104 /nfs/dbraw/zinc/55/41/04/1032554104.db2.gz MRJQMULYKVFVCA-HNNXBMFYSA-N 1 1 307.459 3.587 20 30 DHEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@](C)(O)c1ccccc1 ZINC001171389600 1032568711 /nfs/dbraw/zinc/56/87/11/1032568711.db2.gz AIDZRXCQKMJZRZ-IBGZPJMESA-N 1 1 313.828 3.531 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171391009 1032574034 /nfs/dbraw/zinc/57/40/34/1032574034.db2.gz ZICWBQQWRAPRQG-BQDHKBFISA-N 1 1 302.368 3.589 20 30 DHEDMO C=CCOc1ccccc1C[NH+]1CCN(c2cccs2)CC1 ZINC000537648492 1032578912 /nfs/dbraw/zinc/57/89/12/1032578912.db2.gz FMAQNYLPGBNQBA-UHFFFAOYSA-N 1 1 314.454 3.635 20 30 DHEDMO C=CCn1cc(C[NH2+][C@H](c2ccc(CCC)cc2)C(C)C)nn1 ZINC000424298054 1011962756 /nfs/dbraw/zinc/96/27/56/1011962756.db2.gz RWWYIGAMRZXEAM-IBGZPJMESA-N 1 1 312.461 3.904 20 30 DHEDMO C=CCn1cc(C[NH2+][C@H](c2cc3ccccc3o2)C(C)C)nn1 ZINC000424299666 1011964329 /nfs/dbraw/zinc/96/43/29/1011964329.db2.gz VWHGFLSFLBBIOR-SFHVURJKSA-N 1 1 310.401 3.697 20 30 DHEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000424333277 1011986337 /nfs/dbraw/zinc/98/63/37/1011986337.db2.gz DJWXGYKKCPUXEJ-SNVBAGLBSA-N 1 1 311.172 3.737 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000424705099 1012108595 /nfs/dbraw/zinc/10/85/95/1012108595.db2.gz XYAXLBLTDXMAKZ-QGZVFWFLSA-N 1 1 314.473 3.712 20 30 DHEDMO Cc1ccc([C@@H](C)[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000434622155 1012279051 /nfs/dbraw/zinc/27/90/51/1012279051.db2.gz BAACSJMWJXFJJK-MRXNPFEDSA-N 1 1 321.424 3.888 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)CCC(=O)N2C ZINC000186904263 1012296583 /nfs/dbraw/zinc/29/65/83/1012296583.db2.gz JYFKOGJVVJDBBB-UHFFFAOYSA-N 1 1 320.436 3.784 20 30 DHEDMO N#Cc1c(C[N@H+]2CC[C@H](Cc3ccccc3)C2)cn2ccccc12 ZINC000610215041 1012415881 /nfs/dbraw/zinc/41/58/81/1012415881.db2.gz ZFPREUVOJCFBLW-GOSISDBHSA-N 1 1 315.420 3.876 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000514726956 1012424207 /nfs/dbraw/zinc/42/42/07/1012424207.db2.gz KETOBKWRXDQCPY-MJGOQNOKSA-N 1 1 301.430 3.642 20 30 DHEDMO C#CC(=O)N1CCC2(CCC[N@H+](C[C@H](CC)CCCC)C2)CC1 ZINC001269942670 1012471215 /nfs/dbraw/zinc/47/12/15/1012471215.db2.gz WJFLWKWGVOBOAX-GOSISDBHSA-N 1 1 318.505 3.541 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000425365624 1012492861 /nfs/dbraw/zinc/49/28/61/1012492861.db2.gz MHAUIQWBEYZSEG-INIZCTEOSA-N 1 1 320.440 3.746 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)s1 ZINC000126955605 1012496727 /nfs/dbraw/zinc/49/67/27/1012496727.db2.gz JPPRGAXJHYSXFC-CQSZACIVSA-N 1 1 300.402 3.823 20 30 DHEDMO C=CCC(C)(C)C(=O)N1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001269977868 1012546181 /nfs/dbraw/zinc/54/61/81/1012546181.db2.gz WTDCHUHBRXEMQK-FQEVSTJZSA-N 1 1 318.505 3.846 20 30 DHEDMO Cc1cc(C#N)cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000342823850 1012705319 /nfs/dbraw/zinc/70/53/19/1012705319.db2.gz JLCGWGRPUABMGC-BEFAXECRSA-N 1 1 320.440 3.584 20 30 DHEDMO Cc1cnn(CCCCC[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425530975 1012728961 /nfs/dbraw/zinc/72/89/61/1012728961.db2.gz GPEYNJKNQWXUOH-KRWDZBQOSA-N 1 1 310.445 3.927 20 30 DHEDMO COC(=O)c1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000425533537 1012730823 /nfs/dbraw/zinc/73/08/23/1012730823.db2.gz KYZCERDQHZPUAH-GFCCVEGCSA-N 1 1 314.410 3.599 20 30 DHEDMO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000425533537 1012730842 /nfs/dbraw/zinc/73/08/42/1012730842.db2.gz KYZCERDQHZPUAH-GFCCVEGCSA-N 1 1 314.410 3.599 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000425531715 1012731266 /nfs/dbraw/zinc/73/12/66/1012731266.db2.gz MPQIJRFXCZOGBG-FUHWJXTLSA-N 1 1 314.473 3.616 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000425531558 1012732735 /nfs/dbraw/zinc/73/27/35/1012732735.db2.gz HRMJFXOJZDUNMU-CQSZACIVSA-N 1 1 310.372 3.963 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOCCOc1ccccc1 ZINC000425536117 1012735422 /nfs/dbraw/zinc/73/54/22/1012735422.db2.gz OGTDBCCJGRBHNK-QGZVFWFLSA-N 1 1 324.424 3.647 20 30 DHEDMO C[C@H](C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1)C(F)(F)F ZINC001208890034 1012737265 /nfs/dbraw/zinc/73/72/65/1012737265.db2.gz CILIRYTYHDJOTG-OCCSQVGLSA-N 1 1 312.335 3.600 20 30 DHEDMO C=CCCCC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000516848095 1012848227 /nfs/dbraw/zinc/84/82/27/1012848227.db2.gz YINXQJNNSKLFOC-INIZCTEOSA-N 1 1 302.466 3.540 20 30 DHEDMO C=CCOc1cccc(C[NH2+][C@H](CCN(C)C)C(C)(C)C)c1 ZINC000516993167 1012883410 /nfs/dbraw/zinc/88/34/10/1012883410.db2.gz PJQALVCSNVXJMR-GOSISDBHSA-N 1 1 304.478 3.707 20 30 DHEDMO C=C(Br)C[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000125073507 1032672634 /nfs/dbraw/zinc/67/26/34/1032672634.db2.gz OKVOMWFVHICNBP-VIFPVBQESA-N 1 1 306.150 3.847 20 30 DHEDMO CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518591 1017154961 /nfs/dbraw/zinc/15/49/61/1017154961.db2.gz VNOKBODMDAFJOA-OAHLLOKOSA-N 1 1 321.424 3.580 20 30 DHEDMO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518591 1017154975 /nfs/dbraw/zinc/15/49/75/1017154975.db2.gz VNOKBODMDAFJOA-OAHLLOKOSA-N 1 1 321.424 3.580 20 30 DHEDMO CC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@@H](COC)Cc1ccccc1 ZINC001167602157 1017205320 /nfs/dbraw/zinc/20/53/20/1017205320.db2.gz JQMVYKLPWPZDQU-OAQYLSRUSA-N 1 1 322.452 3.946 20 30 DHEDMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000342771794 1017207088 /nfs/dbraw/zinc/20/70/88/1017207088.db2.gz AOAPOQSDPZVNDG-SFHVURJKSA-N 1 1 316.408 3.543 20 30 DHEDMO N#Cc1cccc(Cl)c1N1CCC[N@H+](C2CCCC2)CC1 ZINC000078295225 1017578208 /nfs/dbraw/zinc/57/82/08/1017578208.db2.gz NRDOUGCBRWEATO-UHFFFAOYSA-N 1 1 303.837 3.666 20 30 DHEDMO C=CC[N@@H+](Cc1nncn1-c1ccccc1)CC1CCCCC1 ZINC000444653597 1017606838 /nfs/dbraw/zinc/60/68/38/1017606838.db2.gz WKVMRYKPJGAOBF-UHFFFAOYSA-N 1 1 310.445 3.836 20 30 DHEDMO C=CC[N@H+](Cc1nncn1-c1ccccc1)CC1CCCCC1 ZINC000444653597 1017606840 /nfs/dbraw/zinc/60/68/40/1017606840.db2.gz WKVMRYKPJGAOBF-UHFFFAOYSA-N 1 1 310.445 3.836 20 30 DHEDMO CO[C@@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000444642765 1017613330 /nfs/dbraw/zinc/61/33/30/1017613330.db2.gz UIMDMBHPIFRGPR-HXUWFJFHSA-N 1 1 320.436 3.607 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C#N)CC1(c2ccccc2)CC1 ZINC000444685196 1017615045 /nfs/dbraw/zinc/61/50/45/1017615045.db2.gz QVLXIXKMHPRUGM-UHFFFAOYSA-N 1 1 306.409 3.601 20 30 DHEDMO COC(=O)c1ccc2c(c1)C[N@H+](CCCCC(C)(C)C#N)CC2 ZINC000444682931 1017629321 /nfs/dbraw/zinc/62/93/21/1017629321.db2.gz BZLSKGUPAIKNFS-UHFFFAOYSA-N 1 1 314.429 3.551 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2nncn2-c2ccccc2)CCCC1(C)C ZINC000444778155 1017674791 /nfs/dbraw/zinc/67/47/91/1017674791.db2.gz HWEQURYVQSCNKD-QGZVFWFLSA-N 1 1 310.445 3.834 20 30 DHEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2ccccc2OC)CCCC1(C)C ZINC000444792949 1017683044 /nfs/dbraw/zinc/68/30/44/1017683044.db2.gz QURRDVRWPJQDMU-QGZVFWFLSA-N 1 1 316.445 3.700 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000121505755 1017708113 /nfs/dbraw/zinc/70/81/13/1017708113.db2.gz LNYYLOFYZIEEDB-LJQANCHMSA-N 1 1 321.424 3.643 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000625700012 1017777744 /nfs/dbraw/zinc/77/77/44/1017777744.db2.gz GSNBDRFGFNGBBC-CQSZACIVSA-N 1 1 306.837 3.793 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000625700012 1017777764 /nfs/dbraw/zinc/77/77/64/1017777764.db2.gz GSNBDRFGFNGBBC-CQSZACIVSA-N 1 1 306.837 3.793 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000625699861 1017779940 /nfs/dbraw/zinc/77/99/40/1017779940.db2.gz HZGWWWRDUFTBMO-GFCCVEGCSA-N 1 1 303.793 3.788 20 30 DHEDMO C=CC[C@H]1CC[N@@H+](Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC000625702089 1017780976 /nfs/dbraw/zinc/78/09/76/1017780976.db2.gz NARJLICIRWERPB-NSHDSACASA-N 1 1 321.783 3.927 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC000625702089 1017780996 /nfs/dbraw/zinc/78/09/96/1017780996.db2.gz NARJLICIRWERPB-NSHDSACASA-N 1 1 321.783 3.927 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000153604823 1017877102 /nfs/dbraw/zinc/87/71/02/1017877102.db2.gz FHYCEGCRCBAEIZ-OAQYLSRUSA-N 1 1 318.420 3.838 20 30 DHEDMO N#Cc1ccc(OCCNc2[nH+]ccc3cc(F)ccc32)cc1 ZINC001171482267 1032726315 /nfs/dbraw/zinc/72/63/15/1032726315.db2.gz IKWXHMFHGCQKBN-UHFFFAOYSA-N 1 1 307.328 3.736 20 30 DHEDMO COc1ccc([C@H]([NH2+]Cc2ccc(F)cc2C#N)C2CC2)cc1 ZINC000171375111 1017928363 /nfs/dbraw/zinc/92/83/63/1017928363.db2.gz NWYNPIGPQSCPQL-LJQANCHMSA-N 1 1 310.372 3.947 20 30 DHEDMO C[N@H+](Cc1ccco1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000162139176 1017928694 /nfs/dbraw/zinc/92/86/94/1017928694.db2.gz SPJJGEHGUJKNDV-UHFFFAOYSA-N 1 1 320.396 3.689 20 30 DHEDMO C[N@@H+](Cc1ccco1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000162139176 1017928705 /nfs/dbraw/zinc/92/87/05/1017928705.db2.gz SPJJGEHGUJKNDV-UHFFFAOYSA-N 1 1 320.396 3.689 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(OC)c(OC)c1 ZINC000183071428 1017989600 /nfs/dbraw/zinc/98/96/00/1017989600.db2.gz FAXPAFLTNCANJO-UHFFFAOYSA-N 1 1 303.427 3.954 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1c(C)cccc1C ZINC000524592552 1018038284 /nfs/dbraw/zinc/03/82/84/1018038284.db2.gz ODXBDGAWTJPATI-UHFFFAOYSA-N 1 1 308.425 3.824 20 30 DHEDMO C[C@H](C#N)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000183834576 1018046476 /nfs/dbraw/zinc/04/64/76/1018046476.db2.gz DSRXHKZISIWCFH-LLVKDONJSA-N 1 1 301.371 3.573 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000487521087 1018144381 /nfs/dbraw/zinc/14/43/81/1018144381.db2.gz UYGZUKCOXNJATG-AWEZNQCLSA-N 1 1 308.381 3.522 20 30 DHEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000245445271 1018164196 /nfs/dbraw/zinc/16/41/96/1018164196.db2.gz YSIYJBBWHAPHJB-MGPUTAFESA-N 1 1 319.408 3.580 20 30 DHEDMO N#C[C@H]1CCC[N@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171543015 1032752545 /nfs/dbraw/zinc/75/25/45/1032752545.db2.gz CWDBPOMIFRYORD-WCQYABFASA-N 1 1 308.347 3.587 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000155061172 1018241848 /nfs/dbraw/zinc/24/18/48/1018241848.db2.gz RTFOJICSYMQJRV-APWZRJJASA-N 1 1 306.409 3.967 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000155139919 1018246079 /nfs/dbraw/zinc/24/60/79/1018246079.db2.gz AWFHIBKKVOSZPD-GFCCVEGCSA-N 1 1 312.360 3.513 20 30 DHEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000446835761 1018264601 /nfs/dbraw/zinc/26/46/01/1018264601.db2.gz QDGHTDBKPIONOS-GOSISDBHSA-N 1 1 323.367 3.743 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000446835761 1018264613 /nfs/dbraw/zinc/26/46/13/1018264613.db2.gz QDGHTDBKPIONOS-GOSISDBHSA-N 1 1 323.367 3.743 20 30 DHEDMO N#CC[C@H]1CCC[N@H+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171541108 1032753988 /nfs/dbraw/zinc/75/39/88/1032753988.db2.gz FLRSNHHOHWQSNK-YPMHNXCESA-N 1 1 308.347 3.587 20 30 DHEDMO C=C(C)C(=O)NCCCNc1cc(C)c2cc(C)cc(C)c2[nH+]1 ZINC001167666502 1018330147 /nfs/dbraw/zinc/33/01/47/1018330147.db2.gz PLURVCIJYLCTCE-UHFFFAOYSA-N 1 1 311.429 3.654 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000525635973 1018343448 /nfs/dbraw/zinc/34/34/48/1018343448.db2.gz ZVEUGRWHRUKXHV-LJQANCHMSA-N 1 1 314.473 3.947 20 30 DHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)C=NOCC(F)(F)F ZINC000764846860 1018394820 /nfs/dbraw/zinc/39/48/20/1018394820.db2.gz RURLWTPMBTWLHZ-UHFFFAOYSA-N 1 1 302.340 3.709 20 30 DHEDMO CC#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000764955382 1018436892 /nfs/dbraw/zinc/43/68/92/1018436892.db2.gz YRXSQAYYQSXEEZ-SJORKVTESA-N 1 1 320.477 3.511 20 30 DHEDMO N#Cc1ccc(Cl)cc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000536019458 1018450805 /nfs/dbraw/zinc/45/08/05/1018450805.db2.gz YFVFJAJNZIYYPG-UHFFFAOYSA-N 1 1 317.845 3.595 20 30 DHEDMO C[C@H]1C[C@H](NCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000080339208 1018451451 /nfs/dbraw/zinc/45/14/51/1018451451.db2.gz ACZPYAAOUGFQFV-LAUBAEHRSA-N 1 1 319.452 3.701 20 30 DHEDMO C[C@H]1C[C@H](NCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080339208 1018451473 /nfs/dbraw/zinc/45/14/73/1018451473.db2.gz ACZPYAAOUGFQFV-LAUBAEHRSA-N 1 1 319.452 3.701 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)NC(CC)CC)c1ccc(F)c(F)c1 ZINC000187781792 1018457267 /nfs/dbraw/zinc/45/72/67/1018457267.db2.gz QOZNAOVDIYIWJC-YVEFUNNKSA-N 1 1 324.415 3.865 20 30 DHEDMO CC(C)c1ccc2ncc(C#N)c(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2c1 ZINC000447691137 1018457697 /nfs/dbraw/zinc/45/76/97/1018457697.db2.gz OOYGAMPVAYOZEZ-WMLDXEAASA-N 1 1 322.456 3.546 20 30 DHEDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC12CCCCC2 ZINC000765085491 1018468559 /nfs/dbraw/zinc/46/85/59/1018468559.db2.gz BCDBRTASEXPCGM-VQIMIIECSA-N 1 1 312.457 3.884 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000447999066 1018513935 /nfs/dbraw/zinc/51/39/35/1018513935.db2.gz IVNVATWKEHUJDM-QGZVFWFLSA-N 1 1 314.473 3.638 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(OCC)c1 ZINC000583532932 1018538193 /nfs/dbraw/zinc/53/81/93/1018538193.db2.gz XQZNVQQCUOQZQU-UHFFFAOYSA-N 1 1 315.413 3.749 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(OCC)c1 ZINC000583532932 1018538203 /nfs/dbraw/zinc/53/82/03/1018538203.db2.gz XQZNVQQCUOQZQU-UHFFFAOYSA-N 1 1 315.413 3.749 20 30 DHEDMO CCCCCCCC[C@@H](C)CC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001129078490 1018607792 /nfs/dbraw/zinc/60/77/92/1018607792.db2.gz DYCWJJCLWYPBDB-KURKYZTESA-N 1 1 308.510 3.926 20 30 DHEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000926524372 1018658909 /nfs/dbraw/zinc/65/89/09/1018658909.db2.gz DUKKQVIPJUMZNI-FXAINCCUSA-N 1 1 320.742 3.748 20 30 DHEDMO CC1CCC(O)(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000448122043 1018662957 /nfs/dbraw/zinc/66/29/57/1018662957.db2.gz KZZUENQQAJNLTM-UMIMFARRSA-N 1 1 312.457 3.699 20 30 DHEDMO CC#CCC[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000157588951 1018664908 /nfs/dbraw/zinc/66/49/08/1018664908.db2.gz MXRGWWLIZTXGHX-UHFFFAOYSA-N 1 1 302.468 3.952 20 30 DHEDMO C[C@]12CN(Cc3ccccc3)C[C@@]1(C)C[N@@H+](CCCCC#N)C2 ZINC000705688866 1018672978 /nfs/dbraw/zinc/67/29/78/1018672978.db2.gz XLARCHIEHLIEBP-BGYRXZFFSA-N 1 1 311.473 3.524 20 30 DHEDMO N#CCCCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000131162110 1018719010 /nfs/dbraw/zinc/71/90/10/1018719010.db2.gz LFBWDFBXZDALDF-KRWDZBQOSA-N 1 1 314.454 3.978 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](OCC)C2)cc1Cl ZINC000676413771 1018726339 /nfs/dbraw/zinc/72/63/39/1018726339.db2.gz GMCUXBHFVTUJBI-HNNXBMFYSA-N 1 1 309.837 3.906 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)OC)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477581 1018772759 /nfs/dbraw/zinc/77/27/59/1018772759.db2.gz OFVWYEYADSIETG-CYBMUJFWSA-N 1 1 312.369 3.521 20 30 DHEDMO C=CCN(Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1F ZINC000347668335 1018819365 /nfs/dbraw/zinc/81/93/65/1018819365.db2.gz PGSNAWITHRVCSW-UHFFFAOYSA-N 1 1 319.449 3.532 20 30 DHEDMO N#CC1(C[NH2+]Cc2c(O)cccc2Br)CCCCC1 ZINC000858192018 1032797812 /nfs/dbraw/zinc/79/78/12/1032797812.db2.gz DZFJDDLLFCWFSJ-UHFFFAOYSA-N 1 1 323.234 3.718 20 30 DHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000307781306 1018978985 /nfs/dbraw/zinc/97/89/85/1018978985.db2.gz UTFQOZWBEXYTKM-LSDHHAIUSA-N 1 1 313.445 3.643 20 30 DHEDMO C[C@H](Nc1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309876692 1019112862 /nfs/dbraw/zinc/11/28/62/1019112862.db2.gz UJXGOPQKTVFADQ-LPHOPBHVSA-N 1 1 305.425 3.881 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)C(C)C ZINC000112657891 1019161231 /nfs/dbraw/zinc/16/12/31/1019161231.db2.gz JLETYRANNCSXST-CYBMUJFWSA-N 1 1 321.852 3.907 20 30 DHEDMO C=CCC[N@H+](CCOC)Cc1ccc(Br)s1 ZINC000338542848 1019166233 /nfs/dbraw/zinc/16/62/33/1019166233.db2.gz GUOGUOZUXUDGBJ-UHFFFAOYSA-N 1 1 304.253 3.535 20 30 DHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](C)c1ccccc1 ZINC000083170480 1019257201 /nfs/dbraw/zinc/25/72/01/1019257201.db2.gz QQDGXBUKKMIXFG-KXBFYZLASA-N 1 1 322.408 3.508 20 30 DHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000083170480 1019257206 /nfs/dbraw/zinc/25/72/06/1019257206.db2.gz QQDGXBUKKMIXFG-KXBFYZLASA-N 1 1 322.408 3.508 20 30 DHEDMO CCc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000347923426 1019267577 /nfs/dbraw/zinc/26/75/77/1019267577.db2.gz UESLSWAVZVCNPX-PMACEKPBSA-N 1 1 305.425 3.916 20 30 DHEDMO CCc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000347923426 1019267587 /nfs/dbraw/zinc/26/75/87/1019267587.db2.gz UESLSWAVZVCNPX-PMACEKPBSA-N 1 1 305.425 3.916 20 30 DHEDMO CC(C)C[C@H]1CCCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000077364450 1019292843 /nfs/dbraw/zinc/29/28/43/1019292843.db2.gz IDQJGPRQGAKHKB-OAHLLOKOSA-N 1 1 319.474 3.849 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CCc2ccc(F)cc21 ZINC001171670436 1032821472 /nfs/dbraw/zinc/82/14/72/1032821472.db2.gz GEJXOGCAXBGYOP-LBPRGKRZSA-N 1 1 300.402 3.921 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000265651705 1019332072 /nfs/dbraw/zinc/33/20/72/1019332072.db2.gz NRHCOPGECMVXLJ-KRWDZBQOSA-N 1 1 322.408 3.587 20 30 DHEDMO C[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccc(C#N)cc1 ZINC000340622095 1019417084 /nfs/dbraw/zinc/41/70/84/1019417084.db2.gz ARXHCIMDSBIEPC-INIZCTEOSA-N 1 1 316.408 3.654 20 30 DHEDMO CC[C@@H](C)Oc1cc(C[N@H+](CC)C[C@H](C)C#N)ccc1OC ZINC000611260939 1019424587 /nfs/dbraw/zinc/42/45/87/1019424587.db2.gz CUVHTVWPBHRBJL-HUUCEWRRSA-N 1 1 304.434 3.854 20 30 DHEDMO CC[C@@H](C)Oc1cc(C[N@@H+](CC)C[C@H](C)C#N)ccc1OC ZINC000611260939 1019424597 /nfs/dbraw/zinc/42/45/97/1019424597.db2.gz CUVHTVWPBHRBJL-HUUCEWRRSA-N 1 1 304.434 3.854 20 30 DHEDMO CC1(C)C[N@@H+](Cc2cccc(OCCCC#N)c2)C(C)(C)CO1 ZINC000611272260 1019428316 /nfs/dbraw/zinc/42/83/16/1019428316.db2.gz UKNAXNHHPNJGKS-UHFFFAOYSA-N 1 1 316.445 3.759 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)CC2CCCC2)c1C#N ZINC000611346923 1019453768 /nfs/dbraw/zinc/45/37/68/1019453768.db2.gz RLEGHPGKKFHQPP-UHFFFAOYSA-N 1 1 308.429 3.674 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CC2CCCC2)c1C#N ZINC000611346923 1019453775 /nfs/dbraw/zinc/45/37/75/1019453775.db2.gz RLEGHPGKKFHQPP-UHFFFAOYSA-N 1 1 308.429 3.674 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2[C@H](C)CCC[C@@H]2C)c1C#N ZINC000611347091 1019454269 /nfs/dbraw/zinc/45/42/69/1019454269.db2.gz GFCFRNZNSOKWFP-GASCZTMLSA-N 1 1 308.429 3.815 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1C#N ZINC000611347091 1019454280 /nfs/dbraw/zinc/45/42/80/1019454280.db2.gz GFCFRNZNSOKWFP-GASCZTMLSA-N 1 1 308.429 3.815 20 30 DHEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611349477 1019457803 /nfs/dbraw/zinc/45/78/03/1019457803.db2.gz QASNQVZEIFVCAR-ZBFHGGJFSA-N 1 1 308.429 3.815 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)cc1Cl ZINC000922108095 1019458548 /nfs/dbraw/zinc/45/85/48/1019458548.db2.gz BUGMCJWIBHYOFK-UHFFFAOYSA-N 1 1 321.211 3.755 20 30 DHEDMO COC(=O)c1oc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1C ZINC000611386093 1019461837 /nfs/dbraw/zinc/46/18/37/1019461837.db2.gz CGIOKBONJPNZAQ-STQMWFEESA-N 1 1 312.369 3.658 20 30 DHEDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391562 1019465156 /nfs/dbraw/zinc/46/51/56/1019465156.db2.gz XMXMGRXLSOISAP-GQIGUUNPSA-N 1 1 311.473 3.646 20 30 DHEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391562 1019465162 /nfs/dbraw/zinc/46/51/62/1019465162.db2.gz XMXMGRXLSOISAP-GQIGUUNPSA-N 1 1 311.473 3.646 20 30 DHEDMO C[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)[N@@H+]1CCCC[C@H]1C ZINC000611390643 1019465868 /nfs/dbraw/zinc/46/58/68/1019465868.db2.gz MMNBFGNJQXVKIL-GUXCAODWSA-N 1 1 311.473 3.788 20 30 DHEDMO C[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)[N@H+]1CCCC[C@H]1C ZINC000611390643 1019465872 /nfs/dbraw/zinc/46/58/72/1019465872.db2.gz MMNBFGNJQXVKIL-GUXCAODWSA-N 1 1 311.473 3.788 20 30 DHEDMO CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391911 1019466389 /nfs/dbraw/zinc/46/63/89/1019466389.db2.gz DWBUPCJEEWMMKV-YLJYHZDGSA-N 1 1 311.473 3.646 20 30 DHEDMO CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391911 1019466396 /nfs/dbraw/zinc/46/63/96/1019466396.db2.gz DWBUPCJEEWMMKV-YLJYHZDGSA-N 1 1 311.473 3.646 20 30 DHEDMO C[C@@H]1CCC[C@@H](C)[NH+]1CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392694 1019468141 /nfs/dbraw/zinc/46/81/41/1019468141.db2.gz DSGXTUFPKHSXFG-JXXFODFXSA-N 1 1 311.473 3.788 20 30 DHEDMO C[C@@H]1CCC[C@@H](C)[NH+]1CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611392695 1019469424 /nfs/dbraw/zinc/46/94/24/1019469424.db2.gz DSGXTUFPKHSXFG-QINHECLXSA-N 1 1 311.473 3.788 20 30 DHEDMO CN(C)C[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccc(Cl)cc1 ZINC000922114305 1019470347 /nfs/dbraw/zinc/47/03/47/1019470347.db2.gz MZIQOCCJGIJIIK-MRXNPFEDSA-N 1 1 319.861 3.666 20 30 DHEDMO CC1CC[NH+](CCCN[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390372 1019474524 /nfs/dbraw/zinc/47/45/24/1019474524.db2.gz WNVJZPHCMRKLBN-HXUWFJFHSA-N 1 1 311.473 3.647 20 30 DHEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000552828090 1019474487 /nfs/dbraw/zinc/47/44/87/1019474487.db2.gz IKKAIISBQALVCE-SCLBCKFNSA-N 1 1 310.372 3.521 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)cc1C#N ZINC000611554538 1019520343 /nfs/dbraw/zinc/52/03/43/1019520343.db2.gz UIJGPUDOSKQRTQ-FZMZJTMJSA-N 1 1 312.335 3.730 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1n1ccnc1 ZINC000129557700 1032845418 /nfs/dbraw/zinc/84/54/18/1032845418.db2.gz NNPMJRVJDDGMCZ-APWZRJJASA-N 1 1 322.456 3.767 20 30 DHEDMO C[C@H]1C[C@@H](NC2=CC(=O)CC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC001171731988 1032850226 /nfs/dbraw/zinc/85/02/26/1032850226.db2.gz FUANJKSAQSJGFG-MAUKXSAKSA-N 1 1 312.457 3.512 20 30 DHEDMO C=C(C)CNC(=S)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000727704739 1019767012 /nfs/dbraw/zinc/76/70/12/1019767012.db2.gz JORXKJUVZILNJU-CQSZACIVSA-N 1 1 317.502 3.909 20 30 DHEDMO C[C@@H]1C[C@@H](N(CCC#N)C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171754251 1032857262 /nfs/dbraw/zinc/85/72/62/1032857262.db2.gz BCCQUGNKRHNZQX-YLJYHZDGSA-N 1 1 311.473 3.808 20 30 DHEDMO N#Cc1ccc(CCNc2[nH+]ccc3c4c([nH]c32)CCCC4)cc1 ZINC001167678376 1019923313 /nfs/dbraw/zinc/92/33/13/1019923313.db2.gz GCTDCOOSTYLGAX-UHFFFAOYSA-N 1 1 316.408 3.968 20 30 DHEDMO Clc1cccc(C#CC[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000685604309 1019973513 /nfs/dbraw/zinc/97/35/13/1019973513.db2.gz QKGBYBRYWVBDHV-ZWKOTPCHSA-N 1 1 315.844 3.725 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000685604309 1019973523 /nfs/dbraw/zinc/97/35/23/1019973523.db2.gz QKGBYBRYWVBDHV-ZWKOTPCHSA-N 1 1 315.844 3.725 20 30 DHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2nc(C)cs2)c1 ZINC000858378443 1032868378 /nfs/dbraw/zinc/86/83/78/1032868378.db2.gz KNEUCMKYSFRXOG-DZGCQCFKSA-N 1 1 315.442 3.983 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000118391989 1020044796 /nfs/dbraw/zinc/04/47/96/1020044796.db2.gz ZXQHGKYVIDFUDY-GOSISDBHSA-N 1 1 319.452 3.827 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000118391989 1020044806 /nfs/dbraw/zinc/04/48/06/1020044806.db2.gz ZXQHGKYVIDFUDY-GOSISDBHSA-N 1 1 319.452 3.827 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000118391989 1020044819 /nfs/dbraw/zinc/04/48/19/1020044819.db2.gz ZXQHGKYVIDFUDY-GOSISDBHSA-N 1 1 319.452 3.827 20 30 DHEDMO C[N@@H+](Cc1c[nH]nc1-c1cccs1)Cc1ccc(C#N)cc1 ZINC000131171885 1020074978 /nfs/dbraw/zinc/07/49/78/1020074978.db2.gz OSTRNSMEALAEAK-UHFFFAOYSA-N 1 1 308.410 3.642 20 30 DHEDMO Cc1ccccc1OCCC[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000731211693 1020078632 /nfs/dbraw/zinc/07/86/32/1020078632.db2.gz VRNGSGJLVUBNIP-UHFFFAOYSA-N 1 1 324.424 3.798 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2ccccc2)n1 ZINC000731656640 1020128509 /nfs/dbraw/zinc/12/85/09/1020128509.db2.gz DFZWEEDSZCSNBN-UHFFFAOYSA-N 1 1 302.381 3.511 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2ccccc2)n1 ZINC000731656640 1020128518 /nfs/dbraw/zinc/12/85/18/1020128518.db2.gz DFZWEEDSZCSNBN-UHFFFAOYSA-N 1 1 302.381 3.511 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC12CCC2 ZINC000329142643 1020156792 /nfs/dbraw/zinc/15/67/92/1020156792.db2.gz LKWGHHUGGGVUTL-AWEZNQCLSA-N 1 1 322.412 3.620 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000612070190 1020179117 /nfs/dbraw/zinc/17/91/17/1020179117.db2.gz MFEPINZWPBRPOE-HXUWFJFHSA-N 1 1 306.409 3.716 20 30 DHEDMO CC[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000732206168 1020208020 /nfs/dbraw/zinc/20/80/20/1020208020.db2.gz RMSXKMWMZORPQT-RDJZCZTQSA-N 1 1 315.461 3.608 20 30 DHEDMO CCC1CCC([N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000331333570 1020263377 /nfs/dbraw/zinc/26/33/77/1020263377.db2.gz SXGLHCOWHOAVSV-UHFFFAOYSA-N 1 1 317.433 3.607 20 30 DHEDMO C=CC[N@H+](Cc1cc2c(cc1O)OCO2)CC1CCCCC1 ZINC000732668313 1020267968 /nfs/dbraw/zinc/26/79/68/1020267968.db2.gz CXNOLQPXGABVFJ-UHFFFAOYSA-N 1 1 303.402 3.689 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(F)c1 ZINC000280889396 1020313754 /nfs/dbraw/zinc/31/37/54/1020313754.db2.gz DBDJZWCIOUVIRT-QXAKKESOSA-N 1 1 316.420 3.603 20 30 DHEDMO C=CCCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000338670531 1020316906 /nfs/dbraw/zinc/31/69/06/1020316906.db2.gz LHHVSSONFALTMK-INIZCTEOSA-N 1 1 300.446 3.643 20 30 DHEDMO C#CC[N@H+]([C@@H]1Cc2cccc(F)c2C1)[C@@H]1CCc2ccccc21 ZINC001171804696 1032893191 /nfs/dbraw/zinc/89/31/91/1032893191.db2.gz HLSQUDQYGHLDRB-DYESRHJHSA-N 1 1 305.396 3.916 20 30 DHEDMO COCC[N@@H+](Cc1cc2ccccc2o1)Cc1ccc(C#N)cc1 ZINC000125736881 1020344680 /nfs/dbraw/zinc/34/46/80/1020344680.db2.gz YHHCUDZZJLBLLU-UHFFFAOYSA-N 1 1 320.392 3.953 20 30 DHEDMO C[C@]1(C#N)CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000612161938 1020352184 /nfs/dbraw/zinc/35/21/84/1020352184.db2.gz CROPRVQUGXMPIL-HXUWFJFHSA-N 1 1 321.424 3.794 20 30 DHEDMO C[C@]1(C#N)CCC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000612161938 1020352188 /nfs/dbraw/zinc/35/21/88/1020352188.db2.gz CROPRVQUGXMPIL-HXUWFJFHSA-N 1 1 321.424 3.794 20 30 DHEDMO C=CC[C@H](CC)NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000337098004 1032894963 /nfs/dbraw/zinc/89/49/63/1032894963.db2.gz SPNLEUUGDLGDDV-KRWDZBQOSA-N 1 1 300.446 3.755 20 30 DHEDMO C#CCC[NH2+][C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000733321987 1020368471 /nfs/dbraw/zinc/36/84/71/1020368471.db2.gz KXLOQFJXLYFOIB-IBGZPJMESA-N 1 1 302.377 3.705 20 30 DHEDMO CCOc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1OCC ZINC000126302242 1020387087 /nfs/dbraw/zinc/38/70/87/1020387087.db2.gz RGELCRLGPCXNDM-UHFFFAOYSA-N 1 1 324.424 3.988 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)o1 ZINC000091963146 1020405264 /nfs/dbraw/zinc/40/52/64/1020405264.db2.gz WQVFLHGVHRBXPH-WMLDXEAASA-N 1 1 314.385 3.613 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1(C)CCCC1 ZINC000489829587 1020419938 /nfs/dbraw/zinc/41/99/38/1020419938.db2.gz LCUUIZNYONPTRL-UHFFFAOYSA-N 1 1 319.836 3.805 20 30 DHEDMO CC[N@@H+](CCC(=O)OC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000055059357 1020424919 /nfs/dbraw/zinc/42/49/19/1020424919.db2.gz MGIQRPCZCFMRBL-CQSZACIVSA-N 1 1 302.418 3.673 20 30 DHEDMO N#Cc1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000161937414 1020430361 /nfs/dbraw/zinc/43/03/61/1020430361.db2.gz MCGIGECOYNGHFI-RDTXWAMCSA-N 1 1 315.848 3.665 20 30 DHEDMO Cc1ccc(C#N)c(NC[C@@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC000179749190 1020438249 /nfs/dbraw/zinc/43/82/49/1020438249.db2.gz GAFRLLBXVKNWGD-INIZCTEOSA-N 1 1 314.820 3.630 20 30 DHEDMO N#Cc1ccc(C2=CC[N@H+](Cc3ccncc3Cl)CC2)cc1 ZINC000347963936 1020468478 /nfs/dbraw/zinc/46/84/78/1020468478.db2.gz WEGKPUIZFWXZKR-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccncc3Cl)CC2)cc1 ZINC000347963936 1020468484 /nfs/dbraw/zinc/46/84/84/1020468484.db2.gz WEGKPUIZFWXZKR-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1O ZINC000177153928 1020476854 /nfs/dbraw/zinc/47/68/54/1020476854.db2.gz XARAPZIGQRNGGV-UHFFFAOYSA-N 1 1 319.326 3.895 20 30 DHEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H]1CCNc2ccccc21 ZINC001168638212 1020477370 /nfs/dbraw/zinc/47/73/70/1020477370.db2.gz ITUWWVWHFNPVQR-MRXNPFEDSA-N 1 1 305.385 3.586 20 30 DHEDMO C=CCOCCC[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000348024964 1020479890 /nfs/dbraw/zinc/47/98/90/1020479890.db2.gz CTNAODUDVIRHPK-UHFFFAOYSA-N 1 1 310.441 3.985 20 30 DHEDMO C=CCOCCC[N@@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000348045050 1020490689 /nfs/dbraw/zinc/49/06/89/1020490689.db2.gz CGESFKISJWGASQ-INIZCTEOSA-N 1 1 313.445 3.643 20 30 DHEDMO C=CCOCCC[N@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000348045050 1020490694 /nfs/dbraw/zinc/49/06/94/1020490694.db2.gz CGESFKISJWGASQ-INIZCTEOSA-N 1 1 313.445 3.643 20 30 DHEDMO C=CCOCCC[N@@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000348045050 1020490699 /nfs/dbraw/zinc/49/06/99/1020490699.db2.gz CGESFKISJWGASQ-INIZCTEOSA-N 1 1 313.445 3.643 20 30 DHEDMO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccccc1)c1cccc(C#N)c1 ZINC000364762678 1020499932 /nfs/dbraw/zinc/49/99/32/1020499932.db2.gz BOYLWCJPHTUAPK-MGPUTAFESA-N 1 1 316.408 3.732 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+](CC)[C@H](C)c2cc3ccccc3o2)C1=O ZINC000337146347 1032906345 /nfs/dbraw/zinc/90/63/45/1032906345.db2.gz YGTFDBPHAGIXTH-GDBMZVCRSA-N 1 1 312.413 3.603 20 30 DHEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000301447727 1020511881 /nfs/dbraw/zinc/51/18/81/1020511881.db2.gz OPDQVLHBKBIVKP-LJQANCHMSA-N 1 1 305.425 3.517 20 30 DHEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ncccc1C#N ZINC000302216811 1020532253 /nfs/dbraw/zinc/53/22/53/1020532253.db2.gz JBSGRMOXLFQFTI-GOSISDBHSA-N 1 1 308.429 3.522 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3c3cccs3)n2c1 ZINC000162693229 1020545428 /nfs/dbraw/zinc/54/54/28/1020545428.db2.gz SAWUOXSSZPBPIE-HNNXBMFYSA-N 1 1 308.410 3.605 20 30 DHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C1 ZINC000337172667 1032910449 /nfs/dbraw/zinc/91/04/49/1032910449.db2.gz GRBLJKXVAOFWEY-HOTGVXAUSA-N 1 1 310.507 3.693 20 30 DHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000780384416 1020571604 /nfs/dbraw/zinc/57/16/04/1020571604.db2.gz HZBWYGAPLPDTNF-GXTWGEPZSA-N 1 1 312.335 3.752 20 30 DHEDMO C=CC[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC001171911853 1032916184 /nfs/dbraw/zinc/91/61/84/1032916184.db2.gz ZIBIWRZFRPLZAZ-PBHICJAKSA-N 1 1 301.430 3.892 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1cc(C)ccc1C ZINC000065959748 1020603033 /nfs/dbraw/zinc/60/30/33/1020603033.db2.gz SVJSOFIDMBMGRV-UHFFFAOYSA-N 1 1 322.452 3.973 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1cc(C)ccc1C ZINC000065959748 1020603041 /nfs/dbraw/zinc/60/30/41/1020603041.db2.gz SVJSOFIDMBMGRV-UHFFFAOYSA-N 1 1 322.452 3.973 20 30 DHEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000734487497 1020614731 /nfs/dbraw/zinc/61/47/31/1020614731.db2.gz RJNHJLOQJCFETR-QFBILLFUSA-N 1 1 306.409 3.967 20 30 DHEDMO C=CC[N@H+](CCc1cccc(OC(F)(F)F)c1)[C@H](C)COC ZINC001171917518 1032918906 /nfs/dbraw/zinc/91/89/06/1032918906.db2.gz YLGBHACHPUXULU-CYBMUJFWSA-N 1 1 317.351 3.651 20 30 DHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337207430 1032919036 /nfs/dbraw/zinc/91/90/36/1032919036.db2.gz OOTSGBRAPMLLRE-CYBMUJFWSA-N 1 1 318.383 3.750 20 30 DHEDMO CC(C)(C)c1n[nH]cc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000180030192 1020709007 /nfs/dbraw/zinc/70/90/07/1020709007.db2.gz GPBRSHVWKCELDC-UHFFFAOYSA-N 1 1 308.429 3.743 20 30 DHEDMO CC(C)(C)c1n[nH]cc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000180030192 1020709013 /nfs/dbraw/zinc/70/90/13/1020709013.db2.gz GPBRSHVWKCELDC-UHFFFAOYSA-N 1 1 308.429 3.743 20 30 DHEDMO N#Cc1ccc(C[N@@H+](CC2=Cc3ccccc3OC2)C2CC2)cc1 ZINC000180029812 1020709535 /nfs/dbraw/zinc/70/95/35/1020709535.db2.gz SMRUEVKZNZHSSX-UHFFFAOYSA-N 1 1 316.404 3.999 20 30 DHEDMO C[N@H+](Cc1cccs1)Cc1cc(Cl)ccc1OCC#N ZINC000735306451 1020715119 /nfs/dbraw/zinc/71/51/19/1020715119.db2.gz NOMBPJRKIIQSCW-UHFFFAOYSA-N 1 1 306.818 3.936 20 30 DHEDMO C[N@@H+](Cc1cccs1)Cc1cc(Cl)ccc1OCC#N ZINC000735306451 1020715125 /nfs/dbraw/zinc/71/51/25/1020715125.db2.gz NOMBPJRKIIQSCW-UHFFFAOYSA-N 1 1 306.818 3.936 20 30 DHEDMO C=CCCC(=O)OC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000735898301 1020777501 /nfs/dbraw/zinc/77/75/01/1020777501.db2.gz GLUKVFRFSXLCLP-QFBILLFUSA-N 1 1 317.429 3.588 20 30 DHEDMO C=CCOc1ccc(C[N@H+](CCOC)[C@H]2CCCSC2)cc1 ZINC000448370093 1020820185 /nfs/dbraw/zinc/82/01/85/1020820185.db2.gz FMBJFVDVFNEWBG-KRWDZBQOSA-N 1 1 321.486 3.595 20 30 DHEDMO CC(C)(C)OC(=O)C1CCC([N@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001171928334 1032942460 /nfs/dbraw/zinc/94/24/60/1032942460.db2.gz BSNMDFFLFSNEIN-QQFBHYJXSA-N 1 1 306.450 3.513 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]2CCc2ccccc2)cc1 ZINC000177995842 1020889487 /nfs/dbraw/zinc/88/94/87/1020889487.db2.gz XAIWLRNPDKBSSO-SFTDATJTSA-N 1 1 320.436 3.689 20 30 DHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000739915158 1020924865 /nfs/dbraw/zinc/92/48/65/1020924865.db2.gz OGUJVMQBEAMTBU-UYAOXDASSA-N 1 1 324.424 3.595 20 30 DHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000739915158 1020924872 /nfs/dbraw/zinc/92/48/72/1020924872.db2.gz OGUJVMQBEAMTBU-UYAOXDASSA-N 1 1 324.424 3.595 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](Cc1ccc(CC)cc1)C1CC1 ZINC000613412753 1020946425 /nfs/dbraw/zinc/94/64/25/1020946425.db2.gz MSUDNRQZJFGLRY-UHFFFAOYSA-N 1 1 314.473 3.638 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccc(CC)cc1)C1CC1 ZINC000613412753 1020946430 /nfs/dbraw/zinc/94/64/30/1020946430.db2.gz MSUDNRQZJFGLRY-UHFFFAOYSA-N 1 1 314.473 3.638 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000740875294 1020958534 /nfs/dbraw/zinc/95/85/34/1020958534.db2.gz RBPFJJYIBJYGDI-MRXNPFEDSA-N 1 1 303.450 3.703 20 30 DHEDMO CC[N@H+]1CCC(N=Nc2ncnc3c4ccccc4oc32)[C@H](C)C1 ZINC000741462047 1021008811 /nfs/dbraw/zinc/00/88/11/1021008811.db2.gz IYGNWWLFIFQHDL-GFCCVEGCSA-N 1 1 323.400 3.506 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)cc1 ZINC000264522724 1032950468 /nfs/dbraw/zinc/95/04/68/1032950468.db2.gz BAQMCDYVVSNBQG-SFHVURJKSA-N 1 1 322.408 3.587 20 30 DHEDMO CC(=O)C=C(C)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171968773 1032953067 /nfs/dbraw/zinc/95/30/67/1032953067.db2.gz RGPZKEGEMSYAGC-NZHZHZHDSA-N 1 1 300.446 3.512 20 30 DHEDMO CCCC[N@@H+](CCCO)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356304242 1021124972 /nfs/dbraw/zinc/12/49/72/1021124972.db2.gz PEJOLNGPGQQOKM-UHFFFAOYSA-N 1 1 314.351 3.562 20 30 DHEDMO CCOC1CC([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356304221 1021126999 /nfs/dbraw/zinc/12/69/99/1021126999.db2.gz PBBJVKDKBAUNLC-UHFFFAOYSA-N 1 1 312.335 3.576 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC[S@](=O)c1ccccc1 ZINC000104679197 1021144078 /nfs/dbraw/zinc/14/40/78/1021144078.db2.gz KCFDVHJHKTWKSJ-JOCHJYFZSA-N 1 1 313.466 3.525 20 30 DHEDMO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1cc(C#N)ccc1F ZINC000756028463 1021179217 /nfs/dbraw/zinc/17/92/17/1021179217.db2.gz FXTIOXIWRNKCOU-UHFFFAOYSA-N 1 1 314.408 3.556 20 30 DHEDMO COc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c(C(F)(F)F)c1 ZINC001143478466 1021195891 /nfs/dbraw/zinc/19/58/91/1021195891.db2.gz FPXRBQPFERZTOU-LBPRGKRZSA-N 1 1 312.335 3.840 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(C(F)(F)F)c1 ZINC001143478466 1021195896 /nfs/dbraw/zinc/19/58/96/1021195896.db2.gz FPXRBQPFERZTOU-LBPRGKRZSA-N 1 1 312.335 3.840 20 30 DHEDMO CC1(C)C[C@@H](NCc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC001171976976 1032967218 /nfs/dbraw/zinc/96/72/18/1032967218.db2.gz WCHWWGZEXHASJO-KRWDZBQOSA-N 1 1 323.440 3.684 20 30 DHEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000091161620 1021269225 /nfs/dbraw/zinc/26/92/25/1021269225.db2.gz APCMCMMJWMJKEN-WBVHZDCISA-N 1 1 324.827 3.697 20 30 DHEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000091161620 1021269236 /nfs/dbraw/zinc/26/92/36/1021269236.db2.gz APCMCMMJWMJKEN-WBVHZDCISA-N 1 1 324.827 3.697 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000066696073 1021325608 /nfs/dbraw/zinc/32/56/08/1021325608.db2.gz RONBVDWYOVPOAY-KRWDZBQOSA-N 1 1 312.438 3.801 20 30 DHEDMO Cc1cc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)ccc1C#N ZINC000618593660 1021438734 /nfs/dbraw/zinc/43/87/34/1021438734.db2.gz VJLGXWCYRCXFDC-FQEVSTJZSA-N 1 1 306.409 3.830 20 30 DHEDMO N#CC1(c2ccc(C[NH2+]Cc3c(F)cc(F)cc3F)cc2)CC1 ZINC000850311739 1021471336 /nfs/dbraw/zinc/47/13/36/1021471336.db2.gz VKXRSCQOAMPVES-UHFFFAOYSA-N 1 1 316.326 3.949 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000618743178 1021503616 /nfs/dbraw/zinc/50/36/16/1021503616.db2.gz ZBRRABGFIHHCKP-IBGZPJMESA-N 1 1 315.376 3.990 20 30 DHEDMO CCOCc1cc(C[NH2+]CC2(C#N)CCCCC2)ccc1OC ZINC000850390804 1021505087 /nfs/dbraw/zinc/50/50/87/1021505087.db2.gz SXPGZEDAAIUDEL-UHFFFAOYSA-N 1 1 316.445 3.795 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000538096809 1032986280 /nfs/dbraw/zinc/98/62/80/1032986280.db2.gz UCYOHFSWNUTULY-SJORKVTESA-N 1 1 315.461 3.785 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CN1C[C@H](CC(C)C)CC1=O ZINC000744433756 1021542001 /nfs/dbraw/zinc/54/20/01/1021542001.db2.gz LKJLTSTVLOVKRO-LJQANCHMSA-N 1 1 314.473 3.569 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CN1C[C@H](CC(C)C)CC1=O ZINC000744433756 1021542014 /nfs/dbraw/zinc/54/20/14/1021542014.db2.gz LKJLTSTVLOVKRO-LJQANCHMSA-N 1 1 314.473 3.569 20 30 DHEDMO N#CC1(CN[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC001172067931 1032987251 /nfs/dbraw/zinc/98/72/51/1032987251.db2.gz OOHWZTKLZIGRJN-ACDBMABISA-N 1 1 323.484 3.856 20 30 DHEDMO CC[N@@H+](C[C@@H](O)CCc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000182259915 1021563459 /nfs/dbraw/zinc/56/34/59/1021563459.db2.gz AZRGAGNNVZTVFM-UWJYYQICSA-N 1 1 322.452 3.935 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](COC)C2)cc1Cl ZINC000093337385 1021564012 /nfs/dbraw/zinc/56/40/12/1021564012.db2.gz XDCGBWALTVUKMW-OAHLLOKOSA-N 1 1 309.837 3.763 20 30 DHEDMO Cc1ccc2c(C)cc(NCCNc3ncccc3C#N)[nH+]c2c1 ZINC000763513251 1021584073 /nfs/dbraw/zinc/58/40/73/1021584073.db2.gz ZVPABAUMGKQAPI-UHFFFAOYSA-N 1 1 317.396 3.642 20 30 DHEDMO CC(C)c1[nH+]ccn1[C@H]1CCCN(c2c(C#N)cccc2C#N)C1 ZINC000365546503 1021637844 /nfs/dbraw/zinc/63/78/44/1021637844.db2.gz MMDSHIHHKQAYRO-KRWDZBQOSA-N 1 1 319.412 3.591 20 30 DHEDMO C[C@H]1C[C@H](NCC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379653118 1021677182 /nfs/dbraw/zinc/67/71/82/1021677182.db2.gz YUSGSNXVIMMLSL-SIKLNZKXSA-N 1 1 318.464 3.681 20 30 DHEDMO C[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)CCN1Cc1ccccc1 ZINC000379653118 1021677188 /nfs/dbraw/zinc/67/71/88/1021677188.db2.gz YUSGSNXVIMMLSL-SIKLNZKXSA-N 1 1 318.464 3.681 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c(Cl)c1 ZINC000615229120 1021715973 /nfs/dbraw/zinc/71/59/73/1021715973.db2.gz LMGRWOSFPOXZRC-JKSUJKDBSA-N 1 1 318.848 3.850 20 30 DHEDMO C=C(Cl)C[NH+]1CCC(CN(CC)C(=O)OC(C)(C)C)CC1 ZINC000745946633 1021802316 /nfs/dbraw/zinc/80/23/16/1021802316.db2.gz WFWGCONAQFGKAX-UHFFFAOYSA-N 1 1 316.873 3.708 20 30 DHEDMO Cc1cccc2nc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)cn21 ZINC000194959627 1021826415 /nfs/dbraw/zinc/82/64/15/1021826415.db2.gz AGWPMFSKIHCPEK-UHFFFAOYSA-N 1 1 316.408 3.679 20 30 DHEDMO Cc1cccc2nc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)cn21 ZINC000194959627 1021826426 /nfs/dbraw/zinc/82/64/26/1021826426.db2.gz AGWPMFSKIHCPEK-UHFFFAOYSA-N 1 1 316.408 3.679 20 30 DHEDMO C=C[C@@H](Nc1ccc([N@@H+]2CCCC[C@H]2C)cc1C)C(=O)OC ZINC000619734842 1021856270 /nfs/dbraw/zinc/85/62/70/1021856270.db2.gz VCDMDCBORPMWDE-GDBMZVCRSA-N 1 1 302.418 3.513 20 30 DHEDMO C=C[C@@H](Nc1ccc([N@H+]2CCCC[C@H]2C)cc1C)C(=O)OC ZINC000619734842 1021856289 /nfs/dbraw/zinc/85/62/89/1021856289.db2.gz VCDMDCBORPMWDE-GDBMZVCRSA-N 1 1 302.418 3.513 20 30 DHEDMO CCn1c(C[NH2+]Cc2ccc(C#N)c(Cl)c2)nc2ccccc21 ZINC000619748816 1021884946 /nfs/dbraw/zinc/88/49/46/1021884946.db2.gz VPEQIBQUOVIZQO-UHFFFAOYSA-N 1 1 324.815 3.871 20 30 DHEDMO C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000153195347 1022010172 /nfs/dbraw/zinc/01/01/72/1022010172.db2.gz VLZCDSSIOFFYOY-VQIMIIECSA-N 1 1 312.457 3.534 20 30 DHEDMO CC[C@H](CC(F)F)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000851880511 1022025994 /nfs/dbraw/zinc/02/59/94/1022025994.db2.gz BFAUMRPTMCXPBQ-CZUORRHYSA-N 1 1 308.372 3.613 20 30 DHEDMO CC[C@H](CC(F)F)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000851880511 1022026006 /nfs/dbraw/zinc/02/60/06/1022026006.db2.gz BFAUMRPTMCXPBQ-CZUORRHYSA-N 1 1 308.372 3.613 20 30 DHEDMO CC[N@@H+](CCc1ccc(C#N)cc1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000852065271 1022066650 /nfs/dbraw/zinc/06/66/50/1022066650.db2.gz FPIYJNXJKHBFCN-JXFKEZNVSA-N 1 1 308.425 3.545 20 30 DHEDMO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000852099901 1022076629 /nfs/dbraw/zinc/07/66/29/1022076629.db2.gz RFVWYNZQFIXKHP-MEDUHNTESA-N 1 1 303.793 3.843 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000852319779 1022104321 /nfs/dbraw/zinc/10/43/21/1022104321.db2.gz RPDSAVQVQWWZOE-ABAIWWIYSA-N 1 1 313.228 3.652 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000852319779 1022104326 /nfs/dbraw/zinc/10/43/26/1022104326.db2.gz RPDSAVQVQWWZOE-ABAIWWIYSA-N 1 1 313.228 3.652 20 30 DHEDMO Cc1cccc(C)c1C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328442 1022106691 /nfs/dbraw/zinc/10/66/91/1022106691.db2.gz FHXJQAAAPTZLSN-HXUWFJFHSA-N 1 1 305.425 3.756 20 30 DHEDMO Cc1cccc(C)c1C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328442 1022106699 /nfs/dbraw/zinc/10/66/99/1022106699.db2.gz FHXJQAAAPTZLSN-HXUWFJFHSA-N 1 1 305.425 3.756 20 30 DHEDMO Cc1cc(C)cc(C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852327429 1022107761 /nfs/dbraw/zinc/10/77/61/1022107761.db2.gz TXJHPICTWBOPJR-FQEVSTJZSA-N 1 1 305.425 3.756 20 30 DHEDMO Cc1cc(C)cc(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852327429 1022107766 /nfs/dbraw/zinc/10/77/66/1022107766.db2.gz TXJHPICTWBOPJR-FQEVSTJZSA-N 1 1 305.425 3.756 20 30 DHEDMO CCCCCCCC[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000746472472 1022124391 /nfs/dbraw/zinc/12/43/91/1022124391.db2.gz QFVXNTXAIQOAMC-CVEARBPZSA-N 1 1 303.512 3.635 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCOCC3(CCCC3)C2)c(Cl)c1 ZINC000615232063 1022144083 /nfs/dbraw/zinc/14/40/83/1022144083.db2.gz YKXWERXPQWFLSW-UHFFFAOYSA-N 1 1 304.821 3.604 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCOCC3(CCCC3)C2)c(Cl)c1 ZINC000615232063 1022144089 /nfs/dbraw/zinc/14/40/89/1022144089.db2.gz YKXWERXPQWFLSW-UHFFFAOYSA-N 1 1 304.821 3.604 20 30 DHEDMO N#CCCC[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000920760894 1022173491 /nfs/dbraw/zinc/17/34/91/1022173491.db2.gz HXLDDFDTHZSISA-OAHLLOKOSA-N 1 1 307.235 3.760 20 30 DHEDMO N#CCC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCCCCC1 ZINC001169027155 1022218895 /nfs/dbraw/zinc/21/88/95/1022218895.db2.gz PHMOYVPTGIFXFC-NVXWUHKLSA-N 1 1 307.438 3.760 20 30 DHEDMO Cc1ccn2c(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)cnc2c1 ZINC000154373601 1022239836 /nfs/dbraw/zinc/23/98/36/1022239836.db2.gz BPSBCEQSMKHQCN-UHFFFAOYSA-N 1 1 318.424 3.925 20 30 DHEDMO CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001169072122 1022240956 /nfs/dbraw/zinc/24/09/56/1022240956.db2.gz YPFAJORLOFREPB-ZWKOTPCHSA-N 1 1 315.482 3.918 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](C3CCCCC3)C2)c1=S ZINC000853553888 1022292866 /nfs/dbraw/zinc/29/28/66/1022292866.db2.gz HUVGLXHDJXECDZ-INIZCTEOSA-N 1 1 320.506 3.768 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@H](C3CCCCC3)C2)c1=S ZINC000853553888 1022292880 /nfs/dbraw/zinc/29/28/80/1022292880.db2.gz HUVGLXHDJXECDZ-INIZCTEOSA-N 1 1 320.506 3.768 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000853598763 1022295285 /nfs/dbraw/zinc/29/52/85/1022295285.db2.gz WJNROHMUVVPKNS-BBWFWOEESA-N 1 1 316.832 3.754 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000853597641 1022297435 /nfs/dbraw/zinc/29/74/35/1022297435.db2.gz CPXTUBJLNKVHHW-CALCHBBNSA-N 1 1 324.384 3.599 20 30 DHEDMO C=CC[N@H+](Cc1cc(C(=O)OC)oc1C)CC1CCCCC1 ZINC000609564420 1022300226 /nfs/dbraw/zinc/30/02/26/1022300226.db2.gz QKBBXWISXWRGCO-UHFFFAOYSA-N 1 1 305.418 3.943 20 30 DHEDMO C[N@@H+](C[C@H](C#N)CCC#N)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000609574966 1022303378 /nfs/dbraw/zinc/30/33/78/1022303378.db2.gz HBLOCBVWRASZHH-WDSOQIARSA-N 1 1 311.429 3.530 20 30 DHEDMO N#Cc1ccc(CO[NH+]=C(N)C2CCCC2)c(C(F)(F)F)c1 ZINC000853654029 1022307206 /nfs/dbraw/zinc/30/72/06/1022307206.db2.gz CETWJTBXICMBHX-UHFFFAOYSA-N 1 1 311.307 3.766 20 30 DHEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(Cl)c(Br)c1 ZINC001169243484 1022321832 /nfs/dbraw/zinc/32/18/32/1022321832.db2.gz QBVUAIGTFMKZJB-UHFFFAOYSA-N 1 1 300.627 3.946 20 30 DHEDMO CCOC(=O)CCCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000132642282 1033046383 /nfs/dbraw/zinc/04/63/83/1033046383.db2.gz VOXPCLZYRKONQT-UHFFFAOYSA-N 1 1 302.418 3.502 20 30 DHEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCOc1ccccc1C#N ZINC000609916421 1022382918 /nfs/dbraw/zinc/38/29/18/1022382918.db2.gz NIWIYXUOSUUFJJ-MAUKXSAKSA-N 1 1 324.399 3.954 20 30 DHEDMO CC1(C)C[N@@H+](CCCOc2ccc(C#N)cc2)[C@@H]1c1ccncc1 ZINC000854043805 1022397318 /nfs/dbraw/zinc/39/73/18/1022397318.db2.gz TZOCHBYJOWTDDM-LJQANCHMSA-N 1 1 321.424 3.805 20 30 DHEDMO CCC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000610133325 1022425235 /nfs/dbraw/zinc/42/52/35/1022425235.db2.gz FOHSFXXVVZVEQN-KBAYOESNSA-N 1 1 316.420 3.723 20 30 DHEDMO Cc1csc([C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000237581413 1022450311 /nfs/dbraw/zinc/45/03/11/1022450311.db2.gz ADYZLKPPSDJGQW-OLZOCXBDSA-N 1 1 301.415 3.593 20 30 DHEDMO Cc1nnsc1[C@H](C)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000930159562 1022470727 /nfs/dbraw/zinc/47/07/27/1022470727.db2.gz UFUURJVVGHDRJJ-ZDUSSCGKSA-N 1 1 310.426 3.569 20 30 DHEDMO Cc1nnsc1[C@H](C)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000930159562 1022470731 /nfs/dbraw/zinc/47/07/31/1022470731.db2.gz UFUURJVVGHDRJJ-ZDUSSCGKSA-N 1 1 310.426 3.569 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000615438250 1022476180 /nfs/dbraw/zinc/47/61/80/1022476180.db2.gz XNSXLFWALJKZEX-AHRSYUTCSA-N 1 1 317.436 3.687 20 30 DHEDMO C[C@H](NCC1([NH+](C)C)CCCCC1)c1ccc(OCC#N)cc1 ZINC000271887260 1022486930 /nfs/dbraw/zinc/48/69/30/1022486930.db2.gz QZKORZRQORGCSL-INIZCTEOSA-N 1 1 315.461 3.504 20 30 DHEDMO N#CCCOCC[N@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000338964163 1022527915 /nfs/dbraw/zinc/52/79/15/1022527915.db2.gz MTZWFTPNPBADJR-UHFFFAOYSA-N 1 1 308.372 3.640 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000265973304 1022555336 /nfs/dbraw/zinc/55/53/36/1022555336.db2.gz AFHCKYLPELWTPX-LJQANCHMSA-N 1 1 306.409 3.654 20 30 DHEDMO Cc1ccc(F)c(C[N@@H+](C)CCCOc2cccc(C#N)c2)c1 ZINC001169822150 1022558301 /nfs/dbraw/zinc/55/83/01/1022558301.db2.gz SMIUZHVEMKICBH-UHFFFAOYSA-N 1 1 312.388 3.907 20 30 DHEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CCCCC1 ZINC000621099451 1022560660 /nfs/dbraw/zinc/56/06/60/1022560660.db2.gz SZWPIPMYDBBFHK-GOSISDBHSA-N 1 1 318.505 3.751 20 30 DHEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CCCCC1 ZINC000621099452 1022561459 /nfs/dbraw/zinc/56/14/59/1022561459.db2.gz SZWPIPMYDBBFHK-SFHVURJKSA-N 1 1 318.505 3.751 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C)cc1 ZINC000179909744 1022578088 /nfs/dbraw/zinc/57/80/88/1022578088.db2.gz CEIKFXNBJGZQJV-HOTGVXAUSA-N 1 1 306.409 3.924 20 30 DHEDMO CC(C)(C#N)CC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000157851780 1022580946 /nfs/dbraw/zinc/58/09/46/1022580946.db2.gz UUCJNJOMTPGXPE-KRWDZBQOSA-N 1 1 304.409 3.747 20 30 DHEDMO C#CCCC[N@@H+]1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000766896587 1022606344 /nfs/dbraw/zinc/60/63/44/1022606344.db2.gz UJUUECFBXSFUPW-GOSISDBHSA-N 1 1 315.457 3.904 20 30 DHEDMO C#CCCC[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]2CCCC[C@@H]21 ZINC000766915833 1022608722 /nfs/dbraw/zinc/60/87/22/1022608722.db2.gz IHIIQHJEYOLDCB-GFEQUFNTSA-N 1 1 318.505 3.584 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1nnc(-c2ccccc2)o1 ZINC000068334435 1022610241 /nfs/dbraw/zinc/61/02/41/1022610241.db2.gz POQLYULVNZNISU-UHFFFAOYSA-N 1 1 319.408 3.967 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nnc(-c2ccccc2)o1 ZINC000068334435 1022610245 /nfs/dbraw/zinc/61/02/45/1022610245.db2.gz POQLYULVNZNISU-UHFFFAOYSA-N 1 1 319.408 3.967 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766944353 1022614766 /nfs/dbraw/zinc/61/47/66/1022614766.db2.gz DUUKFGAJJDXDCK-MSOLQXFVSA-N 1 1 307.482 3.669 20 30 DHEDMO C#CCOc1ccc(C[NH2+]Cc2cc(-c3ccccc3)on2)cc1 ZINC000113332521 1022636202 /nfs/dbraw/zinc/63/62/02/1022636202.db2.gz VKMHWKSEUVDFQL-UHFFFAOYSA-N 1 1 318.376 3.643 20 30 DHEDMO N#CCCOCC[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000338983587 1022725281 /nfs/dbraw/zinc/72/52/81/1022725281.db2.gz FOJKAHBOYZHMMB-FQEVSTJZSA-N 1 1 306.409 3.564 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001172307301 1033076552 /nfs/dbraw/zinc/07/65/52/1033076552.db2.gz NQYZDYHJIXLBPK-LAUBAEHRSA-N 1 1 320.436 3.780 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H]1COCc1ccccc1 ZINC001172307992 1033078133 /nfs/dbraw/zinc/07/81/33/1033078133.db2.gz RXFRSPIMSQYEOU-UTKZUKDTSA-N 1 1 320.436 3.780 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001172312282 1033078646 /nfs/dbraw/zinc/07/86/46/1033078646.db2.gz GCBOMOHENOZOLU-QRWLVFNGSA-N 1 1 324.399 3.782 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(F)cc1F ZINC001172311083 1033079029 /nfs/dbraw/zinc/07/90/29/1033079029.db2.gz OGPZNYJCJKCZBW-CYBMUJFWSA-N 1 1 300.352 3.899 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001172308250 1033079153 /nfs/dbraw/zinc/07/91/53/1033079153.db2.gz VNLIDSQGDSVZGR-OXQOHEQNSA-N 1 1 306.409 3.643 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001172315490 1033080694 /nfs/dbraw/zinc/08/06/94/1033080694.db2.gz OOLXDDIANUVPIJ-WFASDCNBSA-N 1 1 314.326 3.713 20 30 DHEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172313155 1033082353 /nfs/dbraw/zinc/08/23/53/1033082353.db2.gz QHKMUMGYMKXPEP-OAHLLOKOSA-N 1 1 322.408 3.740 20 30 DHEDMO COc1cccc2c1CC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C2 ZINC000180784795 1022816839 /nfs/dbraw/zinc/81/68/39/1022816839.db2.gz FTAPRTIWJKBOEJ-HNNXBMFYSA-N 1 1 322.408 3.544 20 30 DHEDMO C=CCOc1ccc(CN[C@H](C)C[N@@H+](C)C(C)C)cc1Cl ZINC000584869041 1022826919 /nfs/dbraw/zinc/82/69/19/1022826919.db2.gz TWOORXPRSCJLNS-CQSZACIVSA-N 1 1 310.869 3.723 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H](C)CN(C)C(C)C)cc1Cl ZINC000584869041 1022826932 /nfs/dbraw/zinc/82/69/32/1022826932.db2.gz TWOORXPRSCJLNS-CQSZACIVSA-N 1 1 310.869 3.723 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC(=O)[C@H](C)C12CCCC2 ZINC001172317792 1033085596 /nfs/dbraw/zinc/08/55/96/1033085596.db2.gz UQDOQNHUMYAPQG-HOTGVXAUSA-N 1 1 310.441 3.713 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(Oc2cnccn2)cc1 ZINC000768153206 1022904099 /nfs/dbraw/zinc/90/40/99/1022904099.db2.gz AQGLEHUDGCVODE-UHFFFAOYSA-N 1 1 310.401 3.641 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(Oc2cnccn2)cc1 ZINC000768153206 1022904107 /nfs/dbraw/zinc/90/41/07/1022904107.db2.gz AQGLEHUDGCVODE-UHFFFAOYSA-N 1 1 310.401 3.641 20 30 DHEDMO C=CC[C@H](CC)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857209966 1022967800 /nfs/dbraw/zinc/96/78/00/1022967800.db2.gz RCHZJOFCKICGDL-ROUUACIJSA-N 1 1 300.446 3.580 20 30 DHEDMO Cc1ncccc1OC[C@@H]1CCC[N@H+]1CC(C)(C)CCC#N ZINC000418145497 1022976401 /nfs/dbraw/zinc/97/64/01/1022976401.db2.gz YGGSGKDGAUCHAA-INIZCTEOSA-N 1 1 301.434 3.563 20 30 DHEDMO C=CC[N@H+](Cc1cc(Br)cc(OC)c1O)C(C)C ZINC000768546655 1022992177 /nfs/dbraw/zinc/99/21/77/1022992177.db2.gz BVBUIGWZJLMJNF-UHFFFAOYSA-N 1 1 314.223 3.560 20 30 DHEDMO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1cc(F)cc(F)c1 ZINC000444697459 1023000392 /nfs/dbraw/zinc/00/03/92/1023000392.db2.gz YIBDPTVHBMZMJH-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc3ccoc3c(Cl)c2)no1 ZINC001212325428 1023003893 /nfs/dbraw/zinc/00/38/93/1023003893.db2.gz RCGBBOBKKSPJMF-ZDUSSCGKSA-N 1 1 315.760 3.940 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(-c3ccncc3)c2)no1 ZINC001212325562 1023004868 /nfs/dbraw/zinc/00/48/68/1023004868.db2.gz UXPHGVMTDQECDU-KRWDZBQOSA-N 1 1 318.380 3.602 20 30 DHEDMO C#CC[N@@H+](Cc1c(-c2ccccc2)nc2sccn12)C1CC1 ZINC000763490892 1023011008 /nfs/dbraw/zinc/01/10/08/1023011008.db2.gz FGEGLSSAFZAQRA-UHFFFAOYSA-N 1 1 307.422 3.660 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)C1CCCC1 ZINC000768725013 1023016969 /nfs/dbraw/zinc/01/69/69/1023016969.db2.gz WWOIPHKYQRTTIJ-HXUWFJFHSA-N 1 1 313.441 3.622 20 30 DHEDMO Cc1cc(Cl)c(C#N)c(NCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC001167751614 1023027787 /nfs/dbraw/zinc/02/77/87/1023027787.db2.gz MKVRRLDQQIIJAA-CYBMUJFWSA-N 1 1 306.841 3.592 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000876598900 1033101655 /nfs/dbraw/zinc/10/16/55/1033101655.db2.gz RDWDQJLNGVWFBQ-PMPSAXMXSA-N 1 1 323.481 3.694 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1 ZINC000769103914 1023090214 /nfs/dbraw/zinc/09/02/14/1023090214.db2.gz DPBFEFVQEKVKHU-DYESRHJHSA-N 1 1 321.420 3.661 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1 ZINC000769103914 1023090223 /nfs/dbraw/zinc/09/02/23/1023090223.db2.gz DPBFEFVQEKVKHU-DYESRHJHSA-N 1 1 321.420 3.661 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cccc(C#N)n1 ZINC000876599283 1033104172 /nfs/dbraw/zinc/10/41/72/1033104172.db2.gz ZHNLLYNPMPUXMU-UHFFFAOYSA-N 1 1 319.330 3.994 20 30 DHEDMO CCCCCCCOc1cccc(C[N@H+]2CC[C@@H](CO)C2)c1 ZINC000769246287 1023107610 /nfs/dbraw/zinc/10/76/10/1023107610.db2.gz ZGMWNDLPRJUXNX-GOSISDBHSA-N 1 1 305.462 3.850 20 30 DHEDMO C=CC[C@@H]1CCCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000660404084 1023132112 /nfs/dbraw/zinc/13/21/12/1023132112.db2.gz XCMQHBZICUFRMT-ZWKOTPCHSA-N 1 1 321.509 3.639 20 30 DHEDMO C=CC[C@H]1CCCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000660404079 1023132232 /nfs/dbraw/zinc/13/22/32/1023132232.db2.gz XCMQHBZICUFRMT-MSOLQXFVSA-N 1 1 321.509 3.639 20 30 DHEDMO C=CC[C@@H]1CCCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000660404080 1023132736 /nfs/dbraw/zinc/13/27/36/1023132736.db2.gz XCMQHBZICUFRMT-QZTJIDSGSA-N 1 1 321.509 3.639 20 30 DHEDMO COc1ccc(C[C@@H](C)C[N@@H+](CCC#N)CC(C)C)cc1F ZINC000769436570 1023148646 /nfs/dbraw/zinc/14/86/46/1023148646.db2.gz OKAQBNSCINBFMP-OAHLLOKOSA-N 1 1 306.425 3.885 20 30 DHEDMO Cc1[nH+]ccn1CCCON=Cc1ccccc1C(F)(F)F ZINC000769559159 1023179359 /nfs/dbraw/zinc/17/93/59/1023179359.db2.gz VRJANFWPNDBUNV-UHFFFAOYSA-N 1 1 311.307 3.651 20 30 DHEDMO CC[N@@H+](CCCCC(C)(C)C#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000769771098 1023203663 /nfs/dbraw/zinc/20/36/63/1023203663.db2.gz DPZSCVIOINHCMC-UHFFFAOYSA-N 1 1 323.481 3.648 20 30 DHEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1c(C)onc1CC ZINC000769877716 1023239494 /nfs/dbraw/zinc/23/94/94/1023239494.db2.gz UYTNQRWFMYHNOQ-ZDUSSCGKSA-N 1 1 300.402 3.961 20 30 DHEDMO CN(C)c1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000770382193 1023300148 /nfs/dbraw/zinc/30/01/48/1023300148.db2.gz UGKJRAHRDJFLQV-UHFFFAOYSA-N 1 1 317.436 3.914 20 30 DHEDMO CC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000859310615 1033124518 /nfs/dbraw/zinc/12/45/18/1033124518.db2.gz JPKFCBVUPLMVJE-OXQOHEQNSA-N 1 1 308.425 3.811 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000198385557 1023352199 /nfs/dbraw/zinc/35/21/99/1023352199.db2.gz CSYWUTXJQLACBM-OAHLLOKOSA-N 1 1 307.397 3.580 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000772175579 1023527871 /nfs/dbraw/zinc/52/78/71/1023527871.db2.gz RQPLRZIHGGNXHH-SFHVURJKSA-N 1 1 317.791 3.648 20 30 DHEDMO CCCC[N@@H+](CCC#N)[C@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172964704 1033485637 /nfs/dbraw/zinc/48/56/37/1033485637.db2.gz QGSKRDZRRCEEMG-OAHLLOKOSA-N 1 1 311.470 3.648 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000876808664 1033146980 /nfs/dbraw/zinc/14/69/80/1033146980.db2.gz LTHVQSJMMCQEMG-FHLIZLRMSA-N 1 1 304.409 3.653 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000661386821 1023587262 /nfs/dbraw/zinc/58/72/62/1023587262.db2.gz UXYHNWWQIJYNMZ-SJORKVTESA-N 1 1 306.494 3.559 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000785999350 1023650743 /nfs/dbraw/zinc/65/07/43/1023650743.db2.gz TWDGHRHAGQAQCT-KRWDZBQOSA-N 1 1 309.409 3.822 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000323607429 1023668333 /nfs/dbraw/zinc/66/83/33/1023668333.db2.gz AMJJRWKVSPCEFK-AQNXPRMDSA-N 1 1 312.457 3.772 20 30 DHEDMO CCN(CC)c1ccc(C=[NH+]OCc2cccnc2)cc1F ZINC000746588202 1023696516 /nfs/dbraw/zinc/69/65/16/1023696516.db2.gz LPJLJWQGWSAIEU-UHFFFAOYSA-N 1 1 301.365 3.618 20 30 DHEDMO C=CCOc1cccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000538739544 1033157259 /nfs/dbraw/zinc/15/72/59/1033157259.db2.gz WEJSEQMDNXIUMR-OAQYLSRUSA-N 1 1 323.436 3.733 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C)c1nc2ccccc2s1)C(C)(C)C ZINC000661760458 1023735242 /nfs/dbraw/zinc/73/52/42/1023735242.db2.gz UMAZJHGIADOPKZ-UHFFFAOYSA-N 1 1 317.458 3.546 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)c1nc2ccccc2s1)C(C)(C)C ZINC000661760458 1023735250 /nfs/dbraw/zinc/73/52/50/1023735250.db2.gz UMAZJHGIADOPKZ-UHFFFAOYSA-N 1 1 317.458 3.546 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H](OCC4CC4)C3)cc2)CC1 ZINC000597093024 1023762362 /nfs/dbraw/zinc/76/23/62/1023762362.db2.gz UUEIYYIDKGHHKV-IBGZPJMESA-N 1 1 310.441 3.633 20 30 DHEDMO CCC#C[C@H](C)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001170085311 1023887497 /nfs/dbraw/zinc/88/74/97/1023887497.db2.gz GYEDJHDLVWDJTL-RDJZCZTQSA-N 1 1 304.503 3.612 20 30 DHEDMO CCC#C[C@H](C)[N@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC001170085311 1023887520 /nfs/dbraw/zinc/88/75/20/1023887520.db2.gz GYEDJHDLVWDJTL-RDJZCZTQSA-N 1 1 304.503 3.612 20 30 DHEDMO CCC#C[C@H](C)[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC001170085311 1023887522 /nfs/dbraw/zinc/88/75/22/1023887522.db2.gz GYEDJHDLVWDJTL-RDJZCZTQSA-N 1 1 304.503 3.612 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788475964 1023890879 /nfs/dbraw/zinc/89/08/79/1023890879.db2.gz JYBKSKRPPBIKEA-UHFFFAOYSA-N 1 1 314.360 3.965 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(F)cc1Cl ZINC000662086456 1023895602 /nfs/dbraw/zinc/89/56/02/1023895602.db2.gz SRGOSZAPVQKBQL-BETUJISGSA-N 1 1 308.784 3.601 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(F)cc1Cl ZINC000662086456 1023895611 /nfs/dbraw/zinc/89/56/11/1023895611.db2.gz SRGOSZAPVQKBQL-BETUJISGSA-N 1 1 308.784 3.601 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2ccc(N)nc2C)cc1 ZINC001167788162 1023923468 /nfs/dbraw/zinc/92/34/68/1023923468.db2.gz QESCYNLZLAHBJU-LJQANCHMSA-N 1 1 322.456 3.907 20 30 DHEDMO C#CC[N@H+](Cc1cnc(-c2ccccc2)o1)Cc1ccccc1 ZINC001170093700 1023953805 /nfs/dbraw/zinc/95/38/05/1023953805.db2.gz DFNKTRRVMDTDJP-UHFFFAOYSA-N 1 1 302.377 3.977 20 30 DHEDMO C#CC[N@@H+](Cc1cnc(-c2ccccc2)o1)Cc1ccccc1 ZINC001170093700 1023953811 /nfs/dbraw/zinc/95/38/11/1023953811.db2.gz DFNKTRRVMDTDJP-UHFFFAOYSA-N 1 1 302.377 3.977 20 30 DHEDMO N#CC1(CC[N@@H+]2CCC[C@](O)(c3ccccc3)C2)CCCCC1 ZINC000859587520 1033174911 /nfs/dbraw/zinc/17/49/11/1033174911.db2.gz AQRWDPDJFJYPGV-HXUWFJFHSA-N 1 1 312.457 3.834 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859585761 1033175488 /nfs/dbraw/zinc/17/54/88/1033175488.db2.gz BZGWCHXUGOQAHC-OXQOHEQNSA-N 1 1 306.409 3.603 20 30 DHEDMO CC(C)[C@H](C)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000266906857 1024047793 /nfs/dbraw/zinc/04/77/93/1024047793.db2.gz JWAZWYIISUYLSJ-HNNXBMFYSA-N 1 1 311.429 3.714 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)CCCc2ccccc2Cl)n1 ZINC000789329230 1024052370 /nfs/dbraw/zinc/05/23/70/1024052370.db2.gz LZFCTTNZVNCQQG-UHFFFAOYSA-N 1 1 315.848 3.624 20 30 DHEDMO CC[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1OC ZINC000876927971 1033184970 /nfs/dbraw/zinc/18/49/70/1033184970.db2.gz QACGXWBHLBFSDI-HNNXBMFYSA-N 1 1 315.804 3.856 20 30 DHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H](CC)CC(C)C)CCO2 ZINC001172397163 1033181344 /nfs/dbraw/zinc/18/13/44/1033181344.db2.gz JMPMHXDXADBJRQ-GBESFXJTSA-N 1 1 309.494 3.885 20 30 DHEDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268582971 1024130456 /nfs/dbraw/zinc/13/04/56/1024130456.db2.gz CXQDWPMNTMIMKL-SGTLLEGYSA-N 1 1 316.351 3.563 20 30 DHEDMO CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000268637931 1024134775 /nfs/dbraw/zinc/13/47/75/1024134775.db2.gz CWUVCBYDMYBPQV-YWZLYKJASA-N 1 1 324.424 3.683 20 30 DHEDMO CC[C@H]1c2ccsc2CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268644350 1024137530 /nfs/dbraw/zinc/13/75/30/1024137530.db2.gz TXKXLEBALHYMIA-IRXDYDNUSA-N 1 1 312.438 3.663 20 30 DHEDMO CC[C@H](c1ccncc1)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000130306483 1024150162 /nfs/dbraw/zinc/15/01/62/1024150162.db2.gz ULTHWQJZMGAYFL-LJQANCHMSA-N 1 1 309.413 3.805 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H]2CCC(C)C)c1=S ZINC000130675651 1024196160 /nfs/dbraw/zinc/19/61/60/1024196160.db2.gz AKDJHNRDNPZCEX-HNNXBMFYSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H]2CCC(C)C)c1=S ZINC000130675651 1024196171 /nfs/dbraw/zinc/19/61/71/1024196171.db2.gz AKDJHNRDNPZCEX-HNNXBMFYSA-N 1 1 308.495 3.767 20 30 DHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2nc(C(C)C)c[nH]2)c1 ZINC000883000060 1024204747 /nfs/dbraw/zinc/20/47/47/1024204747.db2.gz KXLYCMAQOBPKFR-OAHLLOKOSA-N 1 1 312.417 3.504 20 30 DHEDMO CCN(C)c1ccc(C=[NH+]Nc2ccc(OC)c(Cl)c2)cn1 ZINC000790173494 1024233500 /nfs/dbraw/zinc/23/35/00/1024233500.db2.gz JIXVHEGJAZTRCR-UHFFFAOYSA-N 1 1 318.808 3.646 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000531719582 1024293380 /nfs/dbraw/zinc/29/33/80/1024293380.db2.gz JLQZIADVJCKSSJ-INIZCTEOSA-N 1 1 302.462 3.695 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1 ZINC000269641656 1024300941 /nfs/dbraw/zinc/30/09/41/1024300941.db2.gz JYYUWCDQMQCXOX-PMACEKPBSA-N 1 1 324.399 3.785 20 30 DHEDMO C=C(C)[C@H](CC(=O)Nc1cccc2c1C[N@H+](CCC)C2)OCC ZINC000270046630 1024341606 /nfs/dbraw/zinc/34/16/06/1024341606.db2.gz LISOKIBFZVLXHI-SFHVURJKSA-N 1 1 316.445 3.722 20 30 DHEDMO C=C(C)[C@H](CC(=O)Nc1cccc2c1C[N@@H+](CCC)C2)OCC ZINC000270046630 1024341621 /nfs/dbraw/zinc/34/16/21/1024341621.db2.gz LISOKIBFZVLXHI-SFHVURJKSA-N 1 1 316.445 3.722 20 30 DHEDMO COc1ccc2c(c1)CCC[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000531833416 1024382297 /nfs/dbraw/zinc/38/22/97/1024382297.db2.gz XLTQYWKGOLRIDP-UHFFFAOYSA-N 1 1 310.372 3.654 20 30 DHEDMO COc1ccc2c(c1)CCC[N@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000531833416 1024382306 /nfs/dbraw/zinc/38/23/06/1024382306.db2.gz XLTQYWKGOLRIDP-UHFFFAOYSA-N 1 1 310.372 3.654 20 30 DHEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001253227291 1024394255 /nfs/dbraw/zinc/39/42/55/1024394255.db2.gz GBOHUIVUFHMDEI-HUUCEWRRSA-N 1 1 307.400 3.943 20 30 DHEDMO C#CC[C@@H]([NH2+]Cc1ccc(Br)o1)c1ccccc1 ZINC000790980904 1024423940 /nfs/dbraw/zinc/42/39/40/1024423940.db2.gz QJCLMRVJNSHGCU-CQSZACIVSA-N 1 1 304.187 3.896 20 30 DHEDMO C=CCCc1noc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000453248417 1024424480 /nfs/dbraw/zinc/42/44/80/1024424480.db2.gz RAHSAUQLYSUMIJ-HNNXBMFYSA-N 1 1 315.392 3.707 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1ccc(C#N)cc1F ZINC000453277111 1024434774 /nfs/dbraw/zinc/43/47/74/1024434774.db2.gz AMZQEORTUMQGAO-SNVBAGLBSA-N 1 1 323.293 3.962 20 30 DHEDMO COc1cc(C[N@@H+](C)C2CC2)ccc1OCc1cccc(C#N)c1 ZINC000342503090 1024452853 /nfs/dbraw/zinc/45/28/53/1024452853.db2.gz UCKKYOYNPFXHRC-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+](C[C@H](O)c1cccc(C#N)c1)C1CC1 ZINC001170151846 1024460374 /nfs/dbraw/zinc/46/03/74/1024460374.db2.gz ZERWAAKPWWORDH-YWZLYKJASA-N 1 1 306.409 3.817 20 30 DHEDMO Cc1ccc([C@H]2CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)c(C)c1 ZINC000791606113 1024533915 /nfs/dbraw/zinc/53/39/15/1024533915.db2.gz QNRJAHJLYJJHAX-FPOVZHCZSA-N 1 1 320.436 3.698 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000102681366 1024538043 /nfs/dbraw/zinc/53/80/43/1024538043.db2.gz HZHHVASUFNBSGC-LBPRGKRZSA-N 1 1 316.361 3.604 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cccc2[nH]ccc21 ZINC000569742499 1024581690 /nfs/dbraw/zinc/58/16/90/1024581690.db2.gz TVXCVMHSITUKSE-UHFFFAOYSA-N 1 1 319.408 3.688 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)CCC1 ZINC000930178477 1024591418 /nfs/dbraw/zinc/59/14/18/1024591418.db2.gz ACGXHMDEYHFVMD-ZWKOTPCHSA-N 1 1 304.478 3.989 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)CCC1 ZINC000930178474 1024592362 /nfs/dbraw/zinc/59/23/62/1024592362.db2.gz ACGXHMDEYHFVMD-MSOLQXFVSA-N 1 1 304.478 3.989 20 30 DHEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000532268185 1024592599 /nfs/dbraw/zinc/59/25/99/1024592599.db2.gz HWNNSKUUSRHUHI-QGZVFWFLSA-N 1 1 322.452 3.871 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000585754698 1024598328 /nfs/dbraw/zinc/59/83/28/1024598328.db2.gz UYGACHXMAGJUON-UHFFFAOYSA-N 1 1 321.424 3.754 20 30 DHEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCOc2ccc(C#N)cc2)s1 ZINC000106876498 1024606363 /nfs/dbraw/zinc/60/63/63/1024606363.db2.gz DXRPLMZOSKUSCH-CYBMUJFWSA-N 1 1 315.442 3.703 20 30 DHEDMO CCC[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000348816807 1024621038 /nfs/dbraw/zinc/62/10/38/1024621038.db2.gz MSNRVDRWRNORHI-KRWDZBQOSA-N 1 1 313.445 3.588 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001172493652 1033225124 /nfs/dbraw/zinc/22/51/24/1033225124.db2.gz NIAZYMOGOSTHII-OWCLPIDISA-N 1 1 323.481 3.551 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001172497081 1033225238 /nfs/dbraw/zinc/22/52/38/1033225238.db2.gz XPLIOTWRPRFTKH-HNNXBMFYSA-N 1 1 321.465 3.544 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+](CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001172494889 1033226370 /nfs/dbraw/zinc/22/63/70/1033226370.db2.gz ZGRMXSGVEPSNOE-INIZCTEOSA-N 1 1 316.445 3.913 20 30 DHEDMO C[C@@H](CCCC#N)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001172494889 1033226375 /nfs/dbraw/zinc/22/63/75/1033226375.db2.gz ZGRMXSGVEPSNOE-INIZCTEOSA-N 1 1 316.445 3.913 20 30 DHEDMO Cc1ccc([N+](=O)[O-])cc1N=NC1CC[N@@H+](Cc2ccccc2)C1 ZINC000747061576 1024650203 /nfs/dbraw/zinc/65/02/03/1024650203.db2.gz KJTUSBMXSPHQPH-UHFFFAOYSA-N 1 1 324.384 3.577 20 30 DHEDMO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1[C@@H](C)CCCC#N ZINC001172497798 1033228609 /nfs/dbraw/zinc/22/86/09/1033228609.db2.gz GJOFHMFFMIFLDR-JKSUJKDBSA-N 1 1 323.481 3.790 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001172500873 1033228838 /nfs/dbraw/zinc/22/88/38/1033228838.db2.gz BLRVTVFUWQQZLN-CRAIPNDOSA-N 1 1 323.481 3.696 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)c(C#N)c1C ZINC000475745344 1024698473 /nfs/dbraw/zinc/69/84/73/1024698473.db2.gz VDOCCRUNNCTRAR-NQBHXWOUSA-N 1 1 319.474 3.542 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001172500871 1033229493 /nfs/dbraw/zinc/22/94/93/1033229493.db2.gz BLHBUPJTSMALIQ-ILXRZTDVSA-N 1 1 303.837 3.685 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001172498336 1033230224 /nfs/dbraw/zinc/23/02/24/1033230224.db2.gz LTLHCXOLNSANSV-KFWWJZLASA-N 1 1 306.413 3.599 20 30 DHEDMO C[C@@H](CCCC#N)[NH+]1CCN([C@H]2CCCc3ccccc32)CC1 ZINC001172498093 1033230700 /nfs/dbraw/zinc/23/07/00/1033230700.db2.gz IPRWBRRRXKRZRN-PXNSSMCTSA-N 1 1 311.473 3.764 20 30 DHEDMO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001170277289 1024733979 /nfs/dbraw/zinc/73/39/79/1024733979.db2.gz RVVBPPXIXSJHMK-NHYWBVRUSA-N 1 1 307.846 3.545 20 30 DHEDMO C[C@@H](Cc1ccccc1Cl)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001170277289 1024733987 /nfs/dbraw/zinc/73/39/87/1024733987.db2.gz RVVBPPXIXSJHMK-NHYWBVRUSA-N 1 1 307.846 3.545 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)o1)Cc1cccc(Br)c1 ZINC000349701423 1024742103 /nfs/dbraw/zinc/74/21/03/1024742103.db2.gz XHJYCAMIKWSIDN-UHFFFAOYSA-N 1 1 305.175 3.546 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)o1)Cc1cccc(Br)c1 ZINC000349701423 1024742115 /nfs/dbraw/zinc/74/21/15/1024742115.db2.gz XHJYCAMIKWSIDN-UHFFFAOYSA-N 1 1 305.175 3.546 20 30 DHEDMO C[C@H](CCCC#N)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001172503001 1033232644 /nfs/dbraw/zinc/23/26/44/1033232644.db2.gz XTDGTJOSOHPGHN-QGZVFWFLSA-N 1 1 311.473 3.591 20 30 DHEDMO C[C@H](CCCC#N)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001172503001 1033232651 /nfs/dbraw/zinc/23/26/51/1033232651.db2.gz XTDGTJOSOHPGHN-QGZVFWFLSA-N 1 1 311.473 3.591 20 30 DHEDMO COc1cccc(O[C@H]2CCC[N@H+]([C@H](C)CCCC#N)C2)c1 ZINC001172507148 1033234051 /nfs/dbraw/zinc/23/40/51/1033234051.db2.gz QBIOHIPCNHBCMX-QAPCUYQASA-N 1 1 302.418 3.621 20 30 DHEDMO CCCCCCCC[C@@H](CC)n1cncc1C[C@H]([NH3+])C(=O)OC ZINC001172506384 1033234155 /nfs/dbraw/zinc/23/41/55/1033234155.db2.gz SKORQNBBCSRSMS-WBVHZDCISA-N 1 1 323.481 3.628 20 30 DHEDMO C#C[C@H](CC)[NH2+][C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000792643962 1024756582 /nfs/dbraw/zinc/75/65/82/1024756582.db2.gz VYIKENOODQUGPL-SJLPKXTDSA-N 1 1 310.372 3.507 20 30 DHEDMO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)o1 ZINC000349818421 1024758234 /nfs/dbraw/zinc/75/82/34/1024758234.db2.gz IZMXAPDAFQNEDG-CRAIPNDOSA-N 1 1 321.424 3.597 20 30 DHEDMO C[N@@H+](Cc1ccccn1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378729 1024766352 /nfs/dbraw/zinc/76/63/52/1024766352.db2.gz JNHSLJIWXPQDFI-UHFFFAOYSA-N 1 1 305.425 3.918 20 30 DHEDMO CCC[N@@H+](CCOC)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170377315 1024766500 /nfs/dbraw/zinc/76/65/00/1024766500.db2.gz ZWEYJLFYTJLVTE-UHFFFAOYSA-N 1 1 300.446 3.749 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001170379210 1024767472 /nfs/dbraw/zinc/76/74/72/1024767472.db2.gz TUSJJCAXBNMRDS-YKWDICOMSA-N 1 1 316.395 3.978 20 30 DHEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000348293312 1024769657 /nfs/dbraw/zinc/76/96/57/1024769657.db2.gz ZKBXHYPPUUUOPE-SMDDNHRTSA-N 1 1 307.319 3.584 20 30 DHEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000348293312 1024769671 /nfs/dbraw/zinc/76/96/71/1024769671.db2.gz ZKBXHYPPUUUOPE-SMDDNHRTSA-N 1 1 307.319 3.584 20 30 DHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC001172511530 1033238012 /nfs/dbraw/zinc/23/80/12/1033238012.db2.gz SIZDAWQBNQIGSY-MOPGFXCFSA-N 1 1 310.526 3.922 20 30 DHEDMO C[C@@H](CCCC#N)[N@@H+](C)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001172508682 1033238078 /nfs/dbraw/zinc/23/80/78/1033238078.db2.gz GBALBMUWFKXBDP-HNNXBMFYSA-N 1 1 323.481 3.790 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001172510271 1033238386 /nfs/dbraw/zinc/23/83/86/1033238386.db2.gz YTLOTSASCUNZLF-GDBMZVCRSA-N 1 1 321.465 3.543 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCSC[C@H](C)C2)c1O ZINC000792720397 1024781501 /nfs/dbraw/zinc/78/15/01/1024781501.db2.gz NQEWAYOGVUKYJQ-CQSZACIVSA-N 1 1 321.486 3.704 20 30 DHEDMO C#CC[N@H+](CCCc1ccc(C)nc1)[C@H]1CCc2ccccc21 ZINC000792760427 1024790665 /nfs/dbraw/zinc/79/06/65/1024790665.db2.gz IHBRSRCDLWYZNH-NRFANRHFSA-N 1 1 304.437 3.945 20 30 DHEDMO COc1ccccc1O[C@H]1CCC[N@H+]([C@@H](C)CCCC#N)C1 ZINC001172507264 1033234957 /nfs/dbraw/zinc/23/49/57/1033234957.db2.gz RMGYHTCDELBBAU-HOTGVXAUSA-N 1 1 302.418 3.621 20 30 DHEDMO C=CCCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)NC(C)C ZINC001279272295 1024802755 /nfs/dbraw/zinc/80/27/55/1024802755.db2.gz SZOZYPJSQXAJQJ-HDICACEKSA-N 1 1 321.509 3.780 20 30 DHEDMO C#CC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C[C@H](CC)CCCC ZINC001274982506 1024883183 /nfs/dbraw/zinc/88/31/83/1024883183.db2.gz UTACEJZAHAJMLP-SQNIBIBYSA-N 1 1 318.505 3.537 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1cn(CC)nc1C)c1ccc(F)c(F)c1 ZINC000893667539 1024892971 /nfs/dbraw/zinc/89/29/71/1024892971.db2.gz CMWYEXQYFPUUJA-QGZVFWFLSA-N 1 1 305.372 3.897 20 30 DHEDMO C#CCN1CC[C@@]2(CCC[N@H+](C[C@H](CC)CCCC)CC2)C1=O ZINC001275083708 1024905269 /nfs/dbraw/zinc/90/52/69/1024905269.db2.gz YLBZFXCXHMROHG-QUCCMNQESA-N 1 1 318.505 3.541 20 30 DHEDMO C#CCN1CC[C@]2(CCC[N@H+](C[C@H](CC)CCCC)CC2)C1=O ZINC001275083709 1024906266 /nfs/dbraw/zinc/90/62/66/1024906266.db2.gz YLBZFXCXHMROHG-UYAOXDASSA-N 1 1 318.505 3.541 20 30 DHEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCCCCC ZINC001275114481 1024921075 /nfs/dbraw/zinc/92/10/75/1024921075.db2.gz NVVIRVSFJHQBGA-IBGZPJMESA-N 1 1 306.494 3.990 20 30 DHEDMO C=CCN1CC[C@@]2(CC[N@H+](CCCCCCCCC)C2)C1=O ZINC001275118143 1024925305 /nfs/dbraw/zinc/92/53/05/1024925305.db2.gz BBWQNKVVLFFLMB-LJQANCHMSA-N 1 1 306.494 3.847 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@@]12CCN(CC(F)F)C2=O ZINC001275119413 1024926050 /nfs/dbraw/zinc/92/60/50/1024926050.db2.gz REHXWEBGTWBUPM-KRWDZBQOSA-N 1 1 316.436 3.679 20 30 DHEDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cnn1C(C)C ZINC000191272328 1024949949 /nfs/dbraw/zinc/94/99/49/1024949949.db2.gz KKOSSWOBODUSGW-GFCCVEGCSA-N 1 1 300.381 3.634 20 30 DHEDMO COc1nc2ccccc2cc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001137206992 1024989458 /nfs/dbraw/zinc/98/94/58/1024989458.db2.gz VBGVMLFXTOPCAM-FFGGFLGDSA-N 1 1 307.397 3.510 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000353255499 1025000468 /nfs/dbraw/zinc/00/04/68/1025000468.db2.gz FYNCLNXPHIRRJJ-UHFFFAOYSA-N 1 1 322.408 3.596 20 30 DHEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337198115 1025038187 /nfs/dbraw/zinc/03/81/87/1025038187.db2.gz ZIXQECHNIPCJNZ-DLBZAZTESA-N 1 1 322.493 3.612 20 30 DHEDMO CC#CCCCCCCCC(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001274162559 1033260099 /nfs/dbraw/zinc/26/00/99/1033260099.db2.gz ABKYTDITUKVVAM-HXUWFJFHSA-N 1 1 318.505 3.685 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000610859209 1025207850 /nfs/dbraw/zinc/20/78/50/1025207850.db2.gz FVJWPDPANANJFZ-UHFFFAOYSA-N 1 1 320.436 3.794 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000740878371 1025231600 /nfs/dbraw/zinc/23/16/00/1025231600.db2.gz BXFVQOAOICKWIX-MRXNPFEDSA-N 1 1 300.450 3.879 20 30 DHEDMO CCC(C)(C)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000348332874 1025240968 /nfs/dbraw/zinc/24/09/68/1025240968.db2.gz WMIMYHYUIVUAOJ-UHFFFAOYSA-N 1 1 311.429 3.858 20 30 DHEDMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001170449387 1025282637 /nfs/dbraw/zinc/28/26/37/1025282637.db2.gz LRSKRHNPMXSGIS-LUKYLMHMSA-N 1 1 312.413 3.503 20 30 DHEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(Br)c1 ZINC000352853774 1025283885 /nfs/dbraw/zinc/28/38/85/1025283885.db2.gz OKKHIVSIODMSNH-VIFPVBQESA-N 1 1 322.231 3.628 20 30 DHEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C3CCC(C)CC3)C2)C1 ZINC001168209989 1025323273 /nfs/dbraw/zinc/32/32/73/1025323273.db2.gz BIEXXSBJVMRSKY-FAFZWHIHSA-N 1 1 320.477 3.676 20 30 DHEDMO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001168245183 1025388762 /nfs/dbraw/zinc/38/87/62/1025388762.db2.gz YMCMTIBFRWVRNM-DLBZAZTESA-N 1 1 319.452 3.750 20 30 DHEDMO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001168245183 1025388774 /nfs/dbraw/zinc/38/87/74/1025388774.db2.gz YMCMTIBFRWVRNM-DLBZAZTESA-N 1 1 319.452 3.750 20 30 DHEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001168245183 1025388788 /nfs/dbraw/zinc/38/87/88/1025388788.db2.gz YMCMTIBFRWVRNM-DLBZAZTESA-N 1 1 319.452 3.750 20 30 DHEDMO CCCOc1c(C[NH+]2CCC(C#N)CC2)cccc1OCC ZINC000123720136 1025395497 /nfs/dbraw/zinc/39/54/97/1025395497.db2.gz VUOFZSWXLHWTRX-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885930905 1025410758 /nfs/dbraw/zinc/41/07/58/1025410758.db2.gz LARZVNJQLMPXIO-ZDUSSCGKSA-N 1 1 324.877 3.834 20 30 DHEDMO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885956799 1025420252 /nfs/dbraw/zinc/42/02/52/1025420252.db2.gz YSJPIAUOBMVBDG-LPHOPBHVSA-N 1 1 312.457 3.732 20 30 DHEDMO Cc1ccc([C@@H](C)[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)c(C)c1 ZINC000885963574 1025421042 /nfs/dbraw/zinc/42/10/42/1025421042.db2.gz OAZNOTYQYAIXRT-SJORKVTESA-N 1 1 300.446 3.741 20 30 DHEDMO CC[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@H](C)c1ccc(F)cc1 ZINC000885964749 1025422732 /nfs/dbraw/zinc/42/27/32/1025422732.db2.gz FMXRXEXKLASAOV-RHSMWYFYSA-N 1 1 304.409 3.653 20 30 DHEDMO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CC(C)(C)C#N)cc1 ZINC000877322271 1033282504 /nfs/dbraw/zinc/28/25/04/1033282504.db2.gz AYRCKZXEHULHMR-UHFFFAOYSA-N 1 1 303.406 3.673 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886022680 1025443980 /nfs/dbraw/zinc/44/39/80/1025443980.db2.gz IHGPWHYFLMJOLR-IIDMSEBBSA-N 1 1 316.420 3.653 20 30 DHEDMO C#CC[C@H]([NH2+]Cc1ccc(OC)c(OC)c1F)c1ccccc1 ZINC000886049634 1025452657 /nfs/dbraw/zinc/45/26/57/1025452657.db2.gz QGZAZFSSNZTKGP-INIZCTEOSA-N 1 1 313.372 3.697 20 30 DHEDMO C#CCN1CC[C@]2(CCC[N@@H+]2CCCCCCCCC=C)C1=O ZINC001275336506 1025453680 /nfs/dbraw/zinc/45/36/80/1025453680.db2.gz DNZXIXLGEKGLKT-HXUWFJFHSA-N 1 1 316.489 3.603 20 30 DHEDMO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000279946160 1025514835 /nfs/dbraw/zinc/51/48/35/1025514835.db2.gz HUCWTUKHMRYAKZ-KRWDZBQOSA-N 1 1 324.852 3.569 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC001137119481 1033289631 /nfs/dbraw/zinc/28/96/31/1033289631.db2.gz QRWNSEQCOMTMMK-IBGZPJMESA-N 1 1 307.397 3.711 20 30 DHEDMO CCN(Cc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355024031 1025583344 /nfs/dbraw/zinc/58/33/44/1025583344.db2.gz FGQGRANIIVIVNR-NRFANRHFSA-N 1 1 319.452 3.655 20 30 DHEDMO CC[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000355024031 1025583349 /nfs/dbraw/zinc/58/33/49/1025583349.db2.gz FGQGRANIIVIVNR-NRFANRHFSA-N 1 1 319.452 3.655 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000355024031 1025583356 /nfs/dbraw/zinc/58/33/56/1025583356.db2.gz FGQGRANIIVIVNR-NRFANRHFSA-N 1 1 319.452 3.655 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000886353020 1025600396 /nfs/dbraw/zinc/60/03/96/1025600396.db2.gz AETXCNQOVJLKOS-CQSZACIVSA-N 1 1 312.438 3.664 20 30 DHEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000886355856 1025602748 /nfs/dbraw/zinc/60/27/48/1025602748.db2.gz OTKFJXDKIHVLLI-UONOGXRCSA-N 1 1 313.376 3.590 20 30 DHEDMO CC(C)[N@@H+](C)CC1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000539199252 1033293935 /nfs/dbraw/zinc/29/39/35/1033293935.db2.gz CZRDGZGWTHCECF-UHFFFAOYSA-N 1 1 305.853 3.768 20 30 DHEDMO CC[C@H](c1ccccc1OC)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000805835438 1025678469 /nfs/dbraw/zinc/67/84/69/1025678469.db2.gz MTNLRNSZVKYMQB-MOPGFXCFSA-N 1 1 324.424 3.683 20 30 DHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)OCC2(C#N)CCC2)cc1 ZINC000805920430 1025711867 /nfs/dbraw/zinc/71/18/67/1025711867.db2.gz RKXVKBLPAWNFFW-UHFFFAOYSA-N 1 1 314.429 3.769 20 30 DHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000245452463 1025713726 /nfs/dbraw/zinc/71/37/26/1025713726.db2.gz QKKASMMHUJIVEY-ZIAGYGMSSA-N 1 1 317.458 3.504 20 30 DHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000245452463 1025713733 /nfs/dbraw/zinc/71/37/33/1025713733.db2.gz QKKASMMHUJIVEY-ZIAGYGMSSA-N 1 1 317.458 3.504 20 30 DHEDMO CC(C)c1nccn1C[C@H]1CCC[N@H+]1CC(C)(C)CCC#N ZINC000359881507 1025724745 /nfs/dbraw/zinc/72/47/45/1025724745.db2.gz UKHDQJRSQBHUTE-MRXNPFEDSA-N 1 1 302.466 3.801 20 30 DHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C1CCC1 ZINC000072722497 1025762151 /nfs/dbraw/zinc/76/21/51/1025762151.db2.gz MHONQCQOKJYTGM-ZDUSSCGKSA-N 1 1 317.458 3.504 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000614166125 1025786220 /nfs/dbraw/zinc/78/62/20/1025786220.db2.gz WXKAPLYSUVCPHE-SFHVURJKSA-N 1 1 308.429 3.521 20 30 DHEDMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614169069 1025791001 /nfs/dbraw/zinc/79/10/01/1025791001.db2.gz QNPVNOJMLYXGKG-LPHOPBHVSA-N 1 1 313.489 3.792 20 30 DHEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614169069 1025791020 /nfs/dbraw/zinc/79/10/20/1025791020.db2.gz QNPVNOJMLYXGKG-LPHOPBHVSA-N 1 1 313.489 3.792 20 30 DHEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614169069 1025791037 /nfs/dbraw/zinc/79/10/37/1025791037.db2.gz QNPVNOJMLYXGKG-LPHOPBHVSA-N 1 1 313.489 3.792 20 30 DHEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614169069 1025791054 /nfs/dbraw/zinc/79/10/54/1025791054.db2.gz QNPVNOJMLYXGKG-LPHOPBHVSA-N 1 1 313.489 3.792 20 30 DHEDMO Cc1csc(C[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC000886691599 1025793198 /nfs/dbraw/zinc/79/31/98/1025793198.db2.gz IDFYBDBOVZUSJV-CYBMUJFWSA-N 1 1 317.483 3.839 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000614175365 1025808972 /nfs/dbraw/zinc/80/89/72/1025808972.db2.gz JNIXVIFHKPVMKO-MRXNPFEDSA-N 1 1 308.429 3.590 20 30 DHEDMO C[C@@H]1CCC[N@H+]1C1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000134756260 1025819652 /nfs/dbraw/zinc/81/96/52/1025819652.db2.gz MMNIXKNWBWPXTF-MRXNPFEDSA-N 1 1 316.876 3.640 20 30 DHEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1O ZINC000614182907 1025825503 /nfs/dbraw/zinc/82/55/03/1025825503.db2.gz LZWNCCCLGYBHIX-ZWKOTPCHSA-N 1 1 314.473 3.717 20 30 DHEDMO C=CCCCN(CC)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000894105524 1025842811 /nfs/dbraw/zinc/84/28/11/1025842811.db2.gz CHBAPYULOBMUSK-IAGOWNOFSA-N 1 1 321.509 3.637 20 30 DHEDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1)Cc1ccc(C#N)cn1 ZINC000573780071 1025852023 /nfs/dbraw/zinc/85/20/23/1025852023.db2.gz JFBILDFHAYQOBL-UHFFFAOYSA-N 1 1 306.196 3.892 20 30 DHEDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)Cc1ccc(C#N)cn1 ZINC000573780071 1025852043 /nfs/dbraw/zinc/85/20/43/1025852043.db2.gz JFBILDFHAYQOBL-UHFFFAOYSA-N 1 1 306.196 3.892 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000411165043 1025860510 /nfs/dbraw/zinc/86/05/10/1025860510.db2.gz NPYDOTZVCNFAGF-LSDHHAIUSA-N 1 1 312.413 3.673 20 30 DHEDMO CC(C)([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1ccccc1 ZINC000355948435 1025898030 /nfs/dbraw/zinc/89/80/30/1025898030.db2.gz XXILLFOIULPFAZ-UHFFFAOYSA-N 1 1 318.380 3.633 20 30 DHEDMO CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1CCCO1 ZINC000356052781 1025930470 /nfs/dbraw/zinc/93/04/70/1025930470.db2.gz IEMXQQMEMHPDMG-CQSZACIVSA-N 1 1 312.335 3.578 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356092863 1025945360 /nfs/dbraw/zinc/94/53/60/1025945360.db2.gz INRWXDFPXMSDMF-UHFFFAOYSA-N 1 1 320.314 3.915 20 30 DHEDMO C=CCOc1ccccc1CNCCC[N@H+](C)C1CCCCC1 ZINC000322077315 1025966919 /nfs/dbraw/zinc/96/69/19/1025966919.db2.gz GWDNJAROJLRDPQ-UHFFFAOYSA-N 1 1 316.489 3.996 20 30 DHEDMO COc1cc(C#N)ccc1C[NH2+]C(C)(C)c1ccc(F)cc1F ZINC000886898249 1025974157 /nfs/dbraw/zinc/97/41/57/1025974157.db2.gz VSYUGHQGOMMLQR-UHFFFAOYSA-N 1 1 316.351 3.870 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000411489155 1026030186 /nfs/dbraw/zinc/03/01/86/1026030186.db2.gz PZUKBLYOFSPUMA-CQSZACIVSA-N 1 1 300.358 3.980 20 30 DHEDMO C[C@@H]1CSCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356398075 1026038590 /nfs/dbraw/zinc/03/85/90/1026038590.db2.gz QVCVSEMVFOPWCT-NSHDSACASA-N 1 1 314.376 3.762 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2cccc(O)c2Cl)cc1 ZINC000645180681 1026069533 /nfs/dbraw/zinc/06/95/33/1026069533.db2.gz HDPXJPLVGGXAHO-UHFFFAOYSA-N 1 1 303.789 3.900 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000356522229 1026073709 /nfs/dbraw/zinc/07/37/09/1026073709.db2.gz IJEQUARLERDPHX-MOPGFXCFSA-N 1 1 313.441 3.785 20 30 DHEDMO NC(=[NH+]OCc1coc(-c2cccc(Cl)c2)n1)C1CCCC1 ZINC000108202468 1026123204 /nfs/dbraw/zinc/12/32/04/1026123204.db2.gz QKUQZHFPRHMDQT-UHFFFAOYSA-N 1 1 319.792 3.974 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CC1CCCC1 ZINC000532939494 1026142709 /nfs/dbraw/zinc/14/27/09/1026142709.db2.gz WLVANCPVXQTPBU-HNNXBMFYSA-N 1 1 320.502 3.773 20 30 DHEDMO C=CCCC1(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000356718106 1026144406 /nfs/dbraw/zinc/14/44/06/1026144406.db2.gz XPKKFDRZUSKWBM-JKSUJKDBSA-N 1 1 304.478 3.502 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@@H+]2CC[C@@H]2CC=C(C)C2(C)C)C1=O ZINC001275504004 1026172295 /nfs/dbraw/zinc/17/22/95/1026172295.db2.gz JJRPCXVXELLSHK-FXAWDEMLSA-N 1 1 316.489 3.622 20 30 DHEDMO C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000533034716 1026186503 /nfs/dbraw/zinc/18/65/03/1026186503.db2.gz NJBDVJHRGAYEPU-QGZVFWFLSA-N 1 1 301.434 3.629 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000245767324 1026203420 /nfs/dbraw/zinc/20/34/20/1026203420.db2.gz RBAZJKWLBFXYHD-FHLIZLRMSA-N 1 1 316.470 3.837 20 30 DHEDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000245770224 1026205847 /nfs/dbraw/zinc/20/58/47/1026205847.db2.gz ROLOMBNTEKCRJS-SJLPKXTDSA-N 1 1 316.445 3.759 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)CCc1cccc(OC(F)(F)F)c1 ZINC000747494103 1026274203 /nfs/dbraw/zinc/27/42/03/1026274203.db2.gz FUBWVTQRVGEVEE-UHFFFAOYSA-N 1 1 314.351 3.999 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)o1 ZINC000808449465 1026290103 /nfs/dbraw/zinc/29/01/03/1026290103.db2.gz UUVQGQGIGRLZOQ-VQTJNVASSA-N 1 1 318.376 3.716 20 30 DHEDMO C#CC[N@H+](CCCCCn1cc(C)cn1)[C@H]1CCc2ccccc21 ZINC000729267351 1026404179 /nfs/dbraw/zinc/40/41/79/1026404179.db2.gz RRRXPSBCQNWKBO-NRFANRHFSA-N 1 1 321.468 3.985 20 30 DHEDMO COc1ccccc1C[N@H+](Cc1ccc(C#N)cc1OC)C1CC1 ZINC000120668026 1026453592 /nfs/dbraw/zinc/45/35/92/1026453592.db2.gz OMZNRNJQSXKACW-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO COc1ccccc1C[N@@H+](Cc1ccc(C#N)cc1OC)C1CC1 ZINC000120668026 1026453596 /nfs/dbraw/zinc/45/35/96/1026453596.db2.gz OMZNRNJQSXKACW-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@@H+](C)Cc2scnc2C)c1O ZINC000178891946 1026478904 /nfs/dbraw/zinc/47/89/04/1026478904.db2.gz LONNOOCZELSHKF-UHFFFAOYSA-N 1 1 318.442 3.526 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCOC2)cc1 ZINC000513442171 1026506934 /nfs/dbraw/zinc/50/69/34/1026506934.db2.gz FNCVXYWDTLOXRB-LJQANCHMSA-N 1 1 324.399 3.736 20 30 DHEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1cc2ccccc2o1 ZINC000513485325 1026525876 /nfs/dbraw/zinc/52/58/76/1026525876.db2.gz QCFLYQAVPGICNO-UHFFFAOYSA-N 1 1 306.365 3.815 20 30 DHEDMO C#Cc1ccc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809574548 1026552373 /nfs/dbraw/zinc/55/23/73/1026552373.db2.gz MKRSYTHFMJDBIQ-QFIPXVFZSA-N 1 1 318.464 3.622 20 30 DHEDMO C#Cc1ccc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000809574548 1026552382 /nfs/dbraw/zinc/55/23/82/1026552382.db2.gz MKRSYTHFMJDBIQ-QFIPXVFZSA-N 1 1 318.464 3.622 20 30 DHEDMO C#Cc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000809574548 1026552386 /nfs/dbraw/zinc/55/23/86/1026552386.db2.gz MKRSYTHFMJDBIQ-QFIPXVFZSA-N 1 1 318.464 3.622 20 30 DHEDMO C#Cc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000809574548 1026552395 /nfs/dbraw/zinc/55/23/95/1026552395.db2.gz MKRSYTHFMJDBIQ-QFIPXVFZSA-N 1 1 318.464 3.622 20 30 DHEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809548430 1026556794 /nfs/dbraw/zinc/55/67/94/1026556794.db2.gz CSGNXTCPSYYLHM-KRWDZBQOSA-N 1 1 319.452 3.841 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809548430 1026556799 /nfs/dbraw/zinc/55/67/99/1026556799.db2.gz CSGNXTCPSYYLHM-KRWDZBQOSA-N 1 1 319.452 3.841 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@](C)(OC)CC2)cc1OC ZINC000280259843 1026620176 /nfs/dbraw/zinc/62/01/76/1026620176.db2.gz LUISESPVFJEYTB-IBGZPJMESA-N 1 1 319.445 3.651 20 30 DHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000421000362 1026910799 /nfs/dbraw/zinc/91/07/99/1026910799.db2.gz DELVJRZTEGZMJW-LSDHHAIUSA-N 1 1 321.490 3.528 20 30 DHEDMO COc1ccc2c(c1)OC(C)(C)C[N@H+](CCCC(C)(C)C#N)C2 ZINC000421040651 1026921785 /nfs/dbraw/zinc/92/17/85/1026921785.db2.gz NUXRDROGVDCGFE-UHFFFAOYSA-N 1 1 316.445 3.998 20 30 DHEDMO C#CCCOc1ccc(C[N@H+](CC)[C@H]2CCOC(C)(C)C2)cc1 ZINC000811511800 1027027856 /nfs/dbraw/zinc/02/78/56/1027027856.db2.gz UYZKJMXSXIJZEY-SFHVURJKSA-N 1 1 315.457 3.868 20 30 DHEDMO COC[C@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(Cl)c1F ZINC000421896448 1027084200 /nfs/dbraw/zinc/08/42/00/1027084200.db2.gz ZNQDABJEANTPGG-AWEZNQCLSA-N 1 1 324.808 3.890 20 30 DHEDMO CCn1nc(C)c(C[N@@H+](C)CCCCC2(C#N)CCC2)c1C ZINC000931380766 1027105321 /nfs/dbraw/zinc/10/53/21/1027105321.db2.gz QIQJFSAMNVFTPE-UHFFFAOYSA-N 1 1 302.466 3.816 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H](c3nccs3)C2)c1 ZINC000931688077 1027217474 /nfs/dbraw/zinc/21/74/74/1027217474.db2.gz IASTUBQKDGPXBN-ZDUSSCGKSA-N 1 1 303.818 3.658 20 30 DHEDMO COc1cccc([C@@H]2CC[N@@H+](Cc3cncc(C#N)c3)C2(C)C)c1 ZINC000931689116 1027218683 /nfs/dbraw/zinc/21/86/83/1027218683.db2.gz RRKJKYNBMBKQHE-IBGZPJMESA-N 1 1 321.424 3.730 20 30 DHEDMO C=C[C@H](CC(=O)OCCCCn1cc[nH+]c1C)c1ccccc1 ZINC000778840706 1027270577 /nfs/dbraw/zinc/27/05/77/1027270577.db2.gz ZYHRDAUCSMFHKA-QGZVFWFLSA-N 1 1 312.413 3.875 20 30 DHEDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2C#N)C1 ZINC000573395541 1027289243 /nfs/dbraw/zinc/28/92/43/1027289243.db2.gz QWQVVTPALIVTAQ-ABAIWWIYSA-N 1 1 307.235 3.941 20 30 DHEDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2C#N)C1 ZINC000573395552 1027289375 /nfs/dbraw/zinc/28/93/75/1027289375.db2.gz QWQVVTPALIVTAQ-IAQYHMDHSA-N 1 1 307.235 3.941 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000931903448 1027297099 /nfs/dbraw/zinc/29/70/99/1027297099.db2.gz MGZYQACDHDOBKX-HBGVWJBISA-N 1 1 318.420 3.519 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931913894 1027303138 /nfs/dbraw/zinc/30/31/38/1027303138.db2.gz QCARXDMMJNKBPR-BXUZGUMPSA-N 1 1 312.310 3.986 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1F ZINC000931916867 1027303187 /nfs/dbraw/zinc/30/31/87/1027303187.db2.gz KGKYPOHTEAIXIO-CYBMUJFWSA-N 1 1 316.273 3.564 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1F ZINC000931916867 1027303205 /nfs/dbraw/zinc/30/32/05/1027303205.db2.gz KGKYPOHTEAIXIO-CYBMUJFWSA-N 1 1 316.273 3.564 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000932075836 1027358583 /nfs/dbraw/zinc/35/85/83/1027358583.db2.gz RDXCTCVOEYVTIU-MFKMUULPSA-N 1 1 300.349 3.599 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000932075836 1027358599 /nfs/dbraw/zinc/35/85/99/1027358599.db2.gz RDXCTCVOEYVTIU-MFKMUULPSA-N 1 1 300.349 3.599 20 30 DHEDMO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000422997904 1027387311 /nfs/dbraw/zinc/38/73/11/1027387311.db2.gz PCTVNZFNYVQWAT-KXBFYZLASA-N 1 1 308.429 3.544 20 30 DHEDMO C=CCC[C@@H](N[C@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423004892 1027388972 /nfs/dbraw/zinc/38/89/72/1027388972.db2.gz QENFONUPCLUZRQ-MLGOLLRUSA-N 1 1 312.379 3.910 20 30 DHEDMO N#CCC1(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)CC1 ZINC000932187321 1027401626 /nfs/dbraw/zinc/40/16/26/1027401626.db2.gz CPDGKSSXPOXUCM-CYBMUJFWSA-N 1 1 301.459 3.505 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc(F)cc1 ZINC000812792454 1027411832 /nfs/dbraw/zinc/41/18/32/1027411832.db2.gz AJRCWRJVKJZENM-MRXNPFEDSA-N 1 1 305.299 3.891 20 30 DHEDMO C#C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812794401 1027422644 /nfs/dbraw/zinc/42/26/44/1027422644.db2.gz ZYLRPLHBEFTWJE-XTKXOIQPSA-N 1 1 310.328 3.711 20 30 DHEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812849610 1027445510 /nfs/dbraw/zinc/44/55/10/1027445510.db2.gz OSCRPMFIEHLUKA-UZLBHIALSA-N 1 1 311.400 3.621 20 30 DHEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@H](C)[C@H](O)c1ccccc1 ZINC000812852567 1027450137 /nfs/dbraw/zinc/45/01/37/1027450137.db2.gz HJQAZVHRXKXUKQ-KUHUBIRLSA-N 1 1 312.388 3.641 20 30 DHEDMO N#CCC[N@@H+](C1CCCC1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170695888 1027503803 /nfs/dbraw/zinc/50/38/03/1027503803.db2.gz PMZWIEUUCHTNEH-MRXNPFEDSA-N 1 1 304.384 3.980 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000576284177 1027596018 /nfs/dbraw/zinc/59/60/18/1027596018.db2.gz OHEWQRODNMFNCQ-WMZOPIPTSA-N 1 1 302.462 3.758 20 30 DHEDMO N#Cc1c(F)cccc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000813335057 1027612030 /nfs/dbraw/zinc/61/20/30/1027612030.db2.gz JBHHXEDHVOFMOL-HXUWFJFHSA-N 1 1 324.399 3.643 20 30 DHEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@]2(C)Cc2cccs2)nn1 ZINC000932923030 1027650410 /nfs/dbraw/zinc/65/04/10/1027650410.db2.gz PCLRVFAJXJMFSW-KRWDZBQOSA-N 1 1 316.474 3.513 20 30 DHEDMO C#CCN1CC[C@@]2(CCC[N@@H+]2C/C=C/CCCCCCC)C1=O ZINC001275840116 1027669211 /nfs/dbraw/zinc/66/92/11/1027669211.db2.gz DHQSAULUGFDLGN-CFGKVWFZSA-N 1 1 316.489 3.603 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000933089308 1027674453 /nfs/dbraw/zinc/67/44/53/1027674453.db2.gz QNDAWPGWTHHYOW-QGZVFWFLSA-N 1 1 318.848 3.850 20 30 DHEDMO CC(C)c1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000363641480 1027707214 /nfs/dbraw/zinc/70/72/14/1027707214.db2.gz OJDHYBAMTGFIAF-SFHVURJKSA-N 1 1 308.429 3.543 20 30 DHEDMO C[N@H+](CCC(F)(F)F)Cc1ccc(C#N)cc1C(F)(F)F ZINC000577152354 1027719516 /nfs/dbraw/zinc/71/95/16/1027719516.db2.gz KJSKGLMVZQHTSW-UHFFFAOYSA-N 1 1 310.241 3.961 20 30 DHEDMO C[N@@H+](CCC(F)(F)F)Cc1ccc(C#N)cc1C(F)(F)F ZINC000577152354 1027719533 /nfs/dbraw/zinc/71/95/33/1027719533.db2.gz KJSKGLMVZQHTSW-UHFFFAOYSA-N 1 1 310.241 3.961 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(Cl)nn1)[C@@H]1CCCc2ccccc21 ZINC000933416630 1027732667 /nfs/dbraw/zinc/73/26/67/1027732667.db2.gz AUUPUCOJXYIFHU-QGZVFWFLSA-N 1 1 311.816 3.643 20 30 DHEDMO C#CC[N@H+](Cc1ccc(Cl)nn1)[C@@H]1CCCc2ccccc21 ZINC000933416630 1027732687 /nfs/dbraw/zinc/73/26/87/1027732687.db2.gz AUUPUCOJXYIFHU-QGZVFWFLSA-N 1 1 311.816 3.643 20 30 DHEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@]3(CCN(C)C3=O)CC2)CC1 ZINC001275856922 1027748674 /nfs/dbraw/zinc/74/86/74/1027748674.db2.gz NSNZQFSIUYRSTC-UYAOXDASSA-N 1 1 316.489 3.623 20 30 DHEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCCC/C=C\CC ZINC001275862690 1027764807 /nfs/dbraw/zinc/76/48/07/1027764807.db2.gz NODFIMNVXSYZET-OSFIAYCASA-N 1 1 304.478 3.764 20 30 DHEDMO N#CC1(C[C@@H](O)CNc2ccc([NH2+]CC3CCCC3)cc2)CC1 ZINC000600742945 1027811313 /nfs/dbraw/zinc/81/13/13/1027811313.db2.gz PPQFMGWOIRBTPB-GOSISDBHSA-N 1 1 313.445 3.755 20 30 DHEDMO C=CC1(CC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCCCC1 ZINC000933947151 1027861942 /nfs/dbraw/zinc/86/19/42/1027861942.db2.gz RYEXEYAHZIEDHA-GOSISDBHSA-N 1 1 318.505 3.703 20 30 DHEDMO Cn1c(Cl)cnc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000814304846 1028007164 /nfs/dbraw/zinc/00/71/64/1028007164.db2.gz SWLIGGOOHFTTSF-CQSZACIVSA-N 1 1 302.809 3.598 20 30 DHEDMO COc1cc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc2ccccc21 ZINC000934633631 1028056787 /nfs/dbraw/zinc/05/67/87/1028056787.db2.gz AHCYYUQFRDWMJJ-LSDHHAIUSA-N 1 1 307.397 3.943 20 30 DHEDMO C=CCCC[N@H+](CC)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000934651868 1028065315 /nfs/dbraw/zinc/06/53/15/1028065315.db2.gz WQGQADPDFMILTC-UHFFFAOYSA-N 1 1 301.390 3.533 20 30 DHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1C[C@H]2CCCCCC[C@@H]21 ZINC000366248781 1028067842 /nfs/dbraw/zinc/06/78/42/1028067842.db2.gz TZSJMZLZXOUDCC-AEFFLSMTSA-N 1 1 311.429 3.541 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CC(=O)Nc2cccc3c2[C@H]1CCC3 ZINC000366312409 1028075394 /nfs/dbraw/zinc/07/53/94/1028075394.db2.gz OBWGFFBXKFHMQO-MRXNPFEDSA-N 1 1 311.429 3.648 20 30 DHEDMO Cc1cnc([C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)s1 ZINC000366435835 1028077130 /nfs/dbraw/zinc/07/71/30/1028077130.db2.gz JAQUQQARPPIZGB-MRXNPFEDSA-N 1 1 314.429 3.822 20 30 DHEDMO CC[N@H+](Cc1ccccc1Br)[C@@H]1CC[C@H](C#N)C1 ZINC000563497519 1028082610 /nfs/dbraw/zinc/08/26/10/1028082610.db2.gz CTUSFFOUCPTFDL-GXTWGEPZSA-N 1 1 307.235 3.963 20 30 DHEDMO CC[N@@H+](Cc1ccccc1Br)[C@@H]1CC[C@H](C#N)C1 ZINC000563497519 1028082632 /nfs/dbraw/zinc/08/26/32/1028082632.db2.gz CTUSFFOUCPTFDL-GXTWGEPZSA-N 1 1 307.235 3.963 20 30 DHEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CCCCC1 ZINC000448821915 1028104141 /nfs/dbraw/zinc/10/41/41/1028104141.db2.gz IKIDIPBBGKEHKL-QGZVFWFLSA-N 1 1 306.494 3.750 20 30 DHEDMO CC(N=Nc1ccccc1Cl)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814691277 1028171741 /nfs/dbraw/zinc/17/17/41/1028171741.db2.gz ULINJYDMXBSHKE-UHFFFAOYSA-N 1 1 313.832 3.864 20 30 DHEDMO CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC[C@H](Oc4cccc(C#N)c4)C3)C[C@@H]21 ZINC001170760747 1028179206 /nfs/dbraw/zinc/17/92/06/1028179206.db2.gz JBJBVXOXZWONDD-DSLXNQLJSA-N 1 1 310.441 3.836 20 30 DHEDMO CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC[C@@H](Oc4ccccc4C#N)C3)C[C@@H]21 ZINC001170762212 1028189217 /nfs/dbraw/zinc/18/92/17/1028189217.db2.gz SBUFTXNYFUBCQY-TVFCKZIOSA-N 1 1 310.441 3.836 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000217200383 1028221239 /nfs/dbraw/zinc/22/12/39/1028221239.db2.gz OZSHTYJHVRAYKS-OAHLLOKOSA-N 1 1 314.429 3.850 20 30 DHEDMO CC(=[NH+]Nc1ccc(Br)c(C)c1)c1ccc(N)nc1 ZINC000814816462 1028223376 /nfs/dbraw/zinc/22/33/76/1028223376.db2.gz ORBHWQYUYUHBIQ-UHFFFAOYSA-N 1 1 319.206 3.571 20 30 DHEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)nc1 ZINC000578834630 1028253777 /nfs/dbraw/zinc/25/37/77/1028253777.db2.gz OBCCAZGMDJHLLG-UHFFFAOYSA-N 1 1 313.351 3.791 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC[C@H](O)c1ccccc1 ZINC000368011276 1028277025 /nfs/dbraw/zinc/27/70/25/1028277025.db2.gz XCQFYJZSJWGAME-ACRUOGEOSA-N 1 1 320.436 3.882 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H](O)c1cccc2ccccc21 ZINC000815009719 1028325783 /nfs/dbraw/zinc/32/57/83/1028325783.db2.gz KUTDAPMBDXFKLJ-NRFANRHFSA-N 1 1 316.404 3.877 20 30 DHEDMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000368439078 1028355023 /nfs/dbraw/zinc/35/50/23/1028355023.db2.gz QKSREOPTACSERY-INIZCTEOSA-N 1 1 302.466 3.894 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)C1CCN(c2ccccn2)CC1 ZINC000368439688 1028355880 /nfs/dbraw/zinc/35/58/80/1028355880.db2.gz XENUSBJOWJYVQE-UHFFFAOYSA-N 1 1 314.477 3.702 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000579430688 1028410240 /nfs/dbraw/zinc/41/02/40/1028410240.db2.gz UPPUUZDQJRGDBS-UHFFFAOYSA-N 1 1 319.408 3.511 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)cc1 ZINC000369089266 1028442656 /nfs/dbraw/zinc/44/26/56/1028442656.db2.gz YRWIVMWRVSYDGY-HXUWFJFHSA-N 1 1 317.367 3.972 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2Cc3ccccc3OC[C@@H]2C)cc1 ZINC000369225772 1028461892 /nfs/dbraw/zinc/46/18/92/1028461892.db2.gz KDBKRESWCJHBHS-JKSUJKDBSA-N 1 1 322.408 3.761 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2Cc3ccccc3OC[C@H]2C)cc1 ZINC000369225771 1028462431 /nfs/dbraw/zinc/46/24/31/1028462431.db2.gz KDBKRESWCJHBHS-HZPDHXFCSA-N 1 1 322.408 3.761 20 30 DHEDMO CC#CC[N@@H+](C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000564574858 1028475676 /nfs/dbraw/zinc/47/56/76/1028475676.db2.gz JTHGECYTHTVZGD-UHFFFAOYSA-N 1 1 313.420 3.884 20 30 DHEDMO C[N@H+]1CC[C@H](C[NH2+]CC(C)(C)CCC#N)[C@@H]1c1cccs1 ZINC000369671809 1028514595 /nfs/dbraw/zinc/51/45/95/1028514595.db2.gz JQYQOJSWEAQCKV-GDBMZVCRSA-N 1 1 305.491 3.660 20 30 DHEDMO CN1CC[C@H](C[NH2+]CC(C)(C)CCC#N)[C@@H]1c1cccs1 ZINC000369671809 1028514603 /nfs/dbraw/zinc/51/46/03/1028514603.db2.gz JQYQOJSWEAQCKV-GDBMZVCRSA-N 1 1 305.491 3.660 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000565047159 1028534509 /nfs/dbraw/zinc/53/45/09/1028534509.db2.gz CXICWIGVLQESFJ-KRWDZBQOSA-N 1 1 321.380 3.846 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C(C)(C)C)Cc1ccc(C#N)cn1 ZINC000565164254 1028550579 /nfs/dbraw/zinc/55/05/79/1028550579.db2.gz OLHNFNAZCXCBTE-UHFFFAOYSA-N 1 1 323.440 3.762 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCCN(Cc2ccccc2F)CC1 ZINC000370000940 1028552448 /nfs/dbraw/zinc/55/24/48/1028552448.db2.gz FUZXXSHJCTVKAW-UHFFFAOYSA-N 1 1 317.452 3.663 20 30 DHEDMO C=C(C)COCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815595966 1028561223 /nfs/dbraw/zinc/56/12/23/1028561223.db2.gz HGQCORGPWRSZFC-LLVKDONJSA-N 1 1 303.324 3.654 20 30 DHEDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000370116475 1028570030 /nfs/dbraw/zinc/57/00/30/1028570030.db2.gz HRXBMNVLANQBNM-IBGZPJMESA-N 1 1 316.408 3.782 20 30 DHEDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000370116475 1028570047 /nfs/dbraw/zinc/57/00/47/1028570047.db2.gz HRXBMNVLANQBNM-IBGZPJMESA-N 1 1 316.408 3.782 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](OC)CC2)ccc1OC ZINC000370710474 1028640916 /nfs/dbraw/zinc/64/09/16/1028640916.db2.gz UCPVUUTUPURFFL-KRWDZBQOSA-N 1 1 319.445 3.651 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H](SC)C2)ccc1OC ZINC000449445737 1028648158 /nfs/dbraw/zinc/64/81/58/1028648158.db2.gz LAZWSSZJHIBIPK-OAHLLOKOSA-N 1 1 307.459 3.587 20 30 DHEDMO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000371043606 1028665329 /nfs/dbraw/zinc/66/53/29/1028665329.db2.gz NZWDCVFYECNCQI-HNNXBMFYSA-N 1 1 318.420 3.923 20 30 DHEDMO CCS[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000566299824 1028698269 /nfs/dbraw/zinc/69/82/69/1028698269.db2.gz BWMRSBJNYHFUOX-OAHLLOKOSA-N 1 1 319.430 3.574 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc2nccn21 ZINC000371478269 1028721725 /nfs/dbraw/zinc/72/17/25/1028721725.db2.gz VIMMPNPBQNGYAY-RTBURBONSA-N 1 1 316.408 3.606 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc2nccn21 ZINC000371478269 1028721740 /nfs/dbraw/zinc/72/17/40/1028721740.db2.gz VIMMPNPBQNGYAY-RTBURBONSA-N 1 1 316.408 3.606 20 30 DHEDMO C=CCC[C@@H](C(=O)OCCCn1cc[nH+]c1C)c1ccccc1 ZINC000778553258 1028779215 /nfs/dbraw/zinc/77/92/15/1028779215.db2.gz VFJGKNUZBTVROF-GOSISDBHSA-N 1 1 312.413 3.875 20 30 DHEDMO CC(C)c1cccc(NC(=O)C[NH+]2CCC(CCC#N)CC2)c1 ZINC000566852398 1028792817 /nfs/dbraw/zinc/79/28/17/1028792817.db2.gz BKRBVIBETJPSFM-UHFFFAOYSA-N 1 1 313.445 3.764 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)cc1 ZINC000372434091 1028852625 /nfs/dbraw/zinc/85/26/25/1028852625.db2.gz VUPLJSHNENOKNY-KRWDZBQOSA-N 1 1 312.438 3.882 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@H]2c2nccs2)cc1 ZINC000372434091 1028852641 /nfs/dbraw/zinc/85/26/41/1028852641.db2.gz VUPLJSHNENOKNY-KRWDZBQOSA-N 1 1 312.438 3.882 20 30 DHEDMO C#CCCCCC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816450900 1028887679 /nfs/dbraw/zinc/88/76/79/1028887679.db2.gz DXTAKTXSQJNJFX-MJGOQNOKSA-N 1 1 313.441 3.634 20 30 DHEDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2cccc(F)c2C#N)c1 ZINC000567443825 1028896055 /nfs/dbraw/zinc/89/60/55/1028896055.db2.gz CXYQWTNONLJRAZ-QGZVFWFLSA-N 1 1 324.399 3.913 20 30 DHEDMO CC[C@H](C(=O)[C@H](C#N)c1nc2ccccc2s1)[NH+](CC)CC ZINC000778600023 1028935068 /nfs/dbraw/zinc/93/50/68/1028935068.db2.gz WDHGOPWRTNVBFV-GXTWGEPZSA-N 1 1 315.442 3.593 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cnc(C3CC3)o2)cc1 ZINC000628233405 1028951793 /nfs/dbraw/zinc/95/17/93/1028951793.db2.gz AFGCXKMWMURTBX-UHFFFAOYSA-N 1 1 320.314 3.712 20 30 DHEDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000816648506 1028971796 /nfs/dbraw/zinc/97/17/96/1028971796.db2.gz LJMSJZIGCQSEMI-JKSUJKDBSA-N 1 1 306.409 3.977 20 30 DHEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)c1 ZINC000449758068 1028977384 /nfs/dbraw/zinc/97/73/84/1028977384.db2.gz USEZNUPCTDVKQU-WGSAOQKQSA-N 1 1 306.409 3.945 20 30 DHEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1OC ZINC000628349220 1029014639 /nfs/dbraw/zinc/01/46/39/1029014639.db2.gz CPGSNBKEIGLDCM-ZIAGYGMSSA-N 1 1 307.821 3.755 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC001170845834 1029024450 /nfs/dbraw/zinc/02/44/50/1029024450.db2.gz FEDITHCIUBJFHX-OLZOCXBDSA-N 1 1 309.816 3.682 20 30 DHEDMO C=CCC1(C(=O)N2CCC[N@H+](C3CCCC3)CC2)CCCCC1 ZINC000449909862 1029078951 /nfs/dbraw/zinc/07/89/51/1029078951.db2.gz BQOWTZCUFLRCHR-UHFFFAOYSA-N 1 1 318.505 3.990 20 30 DHEDMO Cc1nc2c(s1)CCC[C@H]2C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000373595185 1029089023 /nfs/dbraw/zinc/08/90/23/1029089023.db2.gz PROZVZPWRRKXSI-INIZCTEOSA-N 1 1 311.454 3.875 20 30 DHEDMO N#CC1(CCN2CC[C@H](C[NH+]3CCCCC3)C2)CCCCC1 ZINC000411315876 1029099008 /nfs/dbraw/zinc/09/90/08/1029099008.db2.gz VMUCWTIXABSMMK-GOSISDBHSA-N 1 1 303.494 3.658 20 30 DHEDMO N#CC1(CC[N@@H+]2CCO[C@@H](c3cccs3)C2)CCCCC1 ZINC000411346115 1029108182 /nfs/dbraw/zinc/10/81/82/1029108182.db2.gz LZIILRTYGHLHHR-OAHLLOKOSA-N 1 1 304.459 3.986 20 30 DHEDMO N#CC1(CC[N@H+]2CCO[C@@H](c3cccs3)C2)CCCCC1 ZINC000411346115 1029108188 /nfs/dbraw/zinc/10/81/88/1029108188.db2.gz LZIILRTYGHLHHR-OAHLLOKOSA-N 1 1 304.459 3.986 20 30 DHEDMO COc1ccccc1C1(F)CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000373914962 1029167906 /nfs/dbraw/zinc/16/79/06/1029167906.db2.gz BCQPBBFNJZHXML-UHFFFAOYSA-N 1 1 314.360 3.621 20 30 DHEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000411603446 1029168190 /nfs/dbraw/zinc/16/81/90/1029168190.db2.gz MJFDWEWCNLFEKP-CRAIPNDOSA-N 1 1 313.445 3.787 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)Cc1nc(-c2cccs2)oc1C ZINC000411634765 1029173176 /nfs/dbraw/zinc/17/31/76/1029173176.db2.gz ATHKTRXTOYLLFG-UHFFFAOYSA-N 1 1 319.474 3.651 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411946407 1029254096 /nfs/dbraw/zinc/25/40/96/1029254096.db2.gz OFGFKWKOBQPDNX-ICSRJNTNSA-N 1 1 320.436 3.796 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000450253797 1029291666 /nfs/dbraw/zinc/29/16/66/1029291666.db2.gz FXWWWOIYKCQURJ-CQSZACIVSA-N 1 1 316.405 3.533 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170887084 1029335907 /nfs/dbraw/zinc/33/59/07/1029335907.db2.gz SWVAICOLKWQYIX-SUMWQHHRSA-N 1 1 318.258 3.652 20 30 DHEDMO COc1cccc(Cl)c1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000570733453 1029413523 /nfs/dbraw/zinc/41/35/23/1029413523.db2.gz MVRDVURGMDQLEY-QGZVFWFLSA-N 1 1 312.800 3.997 20 30 DHEDMO N#Cc1c(Cl)cccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000450385438 1029438862 /nfs/dbraw/zinc/43/88/62/1029438862.db2.gz CGDKTQGIFQVGRK-GUYCJALGSA-N 1 1 315.848 3.665 20 30 DHEDMO N#CC1(CN2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000450499189 1029528184 /nfs/dbraw/zinc/52/81/84/1029528184.db2.gz IGXXNLSQLRIHND-WOJBJXKFSA-N 1 1 323.484 3.667 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(Br)cc1C#N)C1CCCC1 ZINC000805743158 1029677828 /nfs/dbraw/zinc/67/78/28/1029677828.db2.gz RVCLYLSISWTNSE-UHFFFAOYSA-N 1 1 317.230 3.699 20 30 DHEDMO C#CC[N@H+](Cc1ccc(Br)cc1C#N)C1CCCC1 ZINC000805743158 1029677839 /nfs/dbraw/zinc/67/78/39/1029677839.db2.gz RVCLYLSISWTNSE-UHFFFAOYSA-N 1 1 317.230 3.699 20 30 DHEDMO COCC[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000451687987 1029975698 /nfs/dbraw/zinc/97/56/98/1029975698.db2.gz FEBWOKBAJAGXEY-CQSZACIVSA-N 1 1 312.335 3.676 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@H+](CC3(C)CCCCC3)CC2)C1=O ZINC001276288678 1029975981 /nfs/dbraw/zinc/97/59/81/1029975981.db2.gz LDXCFWMFFGPLQJ-HXUWFJFHSA-N 1 1 318.505 3.847 20 30 DHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](C)CC1 ZINC000357393816 1030032323 /nfs/dbraw/zinc/03/23/23/1030032323.db2.gz XPXQNIXIJXERAC-QWHCGFSZSA-N 1 1 319.836 3.661 20 30 DHEDMO CC(C)C#CC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000822513973 1030052001 /nfs/dbraw/zinc/05/20/01/1030052001.db2.gz VDQONTODECZTEM-UHFFFAOYSA-N 1 1 309.413 3.653 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000451920077 1030065689 /nfs/dbraw/zinc/06/56/89/1030065689.db2.gz FZHWLMKNYDSZRI-HNNXBMFYSA-N 1 1 317.383 3.663 20 30 DHEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)CCCSCC#N)C2)c1 ZINC000452020356 1030096823 /nfs/dbraw/zinc/09/68/23/1030096823.db2.gz ROQISWCPHWWHDC-WKILWMFISA-N 1 1 304.459 3.520 20 30 DHEDMO C=CC[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000357552328 1030103045 /nfs/dbraw/zinc/10/30/45/1030103045.db2.gz MBHAVKOZFCUDCK-IBGZPJMESA-N 1 1 318.269 3.751 20 30 DHEDMO C=CC[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000357552328 1030103048 /nfs/dbraw/zinc/10/30/48/1030103048.db2.gz MBHAVKOZFCUDCK-IBGZPJMESA-N 1 1 318.269 3.751 20 30 DHEDMO CC[C@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000533080487 1030125595 /nfs/dbraw/zinc/12/55/95/1030125595.db2.gz PWNFXNCPWWVMQA-AWEZNQCLSA-N 1 1 302.418 3.500 20 30 DHEDMO CC[C@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000533080487 1030125602 /nfs/dbraw/zinc/12/56/02/1030125602.db2.gz PWNFXNCPWWVMQA-AWEZNQCLSA-N 1 1 302.418 3.500 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](CN[C@H](C)c1c(C)noc1C)C(C)C ZINC000924644447 1030149719 /nfs/dbraw/zinc/14/97/19/1030149719.db2.gz YSDCDKBINBZDIC-RHSMWYFYSA-N 1 1 305.466 3.641 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC2(C1)CCCCC2 ZINC000357731539 1030167574 /nfs/dbraw/zinc/16/75/74/1030167574.db2.gz PLMUNFOQJQMMLX-UHFFFAOYSA-N 1 1 314.429 3.602 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1cccc(C#N)c1O ZINC000866295589 1030210839 /nfs/dbraw/zinc/21/08/39/1030210839.db2.gz GTNLMHLZQBXXGB-MEDUHNTESA-N 1 1 312.344 3.577 20 30 DHEDMO Cc1ccc([C@@H](c2noc([C@H]([NH3+])CCCC#N)n2)C(C)C)cc1 ZINC000823200436 1030228284 /nfs/dbraw/zinc/22/82/84/1030228284.db2.gz VQOGRKYFTDWJDD-CVEARBPZSA-N 1 1 312.417 3.860 20 30 DHEDMO C=CCN1CCC([NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)CC1 ZINC000924984002 1030241743 /nfs/dbraw/zinc/24/17/43/1030241743.db2.gz LJVCOFCUPLEGCW-NRFANRHFSA-N 1 1 321.468 3.719 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000533288832 1030249045 /nfs/dbraw/zinc/24/90/45/1030249045.db2.gz DIIOFSSXEQSADY-CYBMUJFWSA-N 1 1 310.388 3.970 20 30 DHEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000533292928 1030251807 /nfs/dbraw/zinc/25/18/07/1030251807.db2.gz IIPWWBITRDNQAD-CHWSQXEVSA-N 1 1 319.836 3.661 20 30 DHEDMO C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1cccc(C#N)c1O ZINC000866364770 1030257646 /nfs/dbraw/zinc/25/76/46/1030257646.db2.gz CPMGSQHNMOQHES-SNVBAGLBSA-N 1 1 321.302 3.528 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000533299941 1030259883 /nfs/dbraw/zinc/25/98/83/1030259883.db2.gz SNNWXVUAOKIROT-KGLIPLIRSA-N 1 1 308.853 3.804 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1cccc(Cl)c1 ZINC000823616608 1030341946 /nfs/dbraw/zinc/34/19/46/1030341946.db2.gz BBHCDXIIJPEFMK-UGSOOPFHSA-N 1 1 314.816 3.938 20 30 DHEDMO CCCCC[C@@H](C)NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000823616906 1030342966 /nfs/dbraw/zinc/34/29/66/1030342966.db2.gz DKWQWQZIZOSICP-HZPDHXFCSA-N 1 1 315.461 3.636 20 30 DHEDMO CCCCC[C@@H](C)NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000823616906 1030342973 /nfs/dbraw/zinc/34/29/73/1030342973.db2.gz DKWQWQZIZOSICP-HZPDHXFCSA-N 1 1 315.461 3.636 20 30 DHEDMO C=CCSCC[NH2+][C@@H](c1ccccn1)c1ccccc1OC ZINC000925349159 1030346085 /nfs/dbraw/zinc/34/60/85/1030346085.db2.gz BLUFABFUCGIUJU-GOSISDBHSA-N 1 1 314.454 3.688 20 30 DHEDMO C=CCCOCC[NH2+][C@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000925631426 1030426837 /nfs/dbraw/zinc/42/68/37/1030426837.db2.gz YIZBIMOHWQJQEN-SNVBAGLBSA-N 1 1 322.758 3.997 20 30 DHEDMO N#CCCCOc1cccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000925753543 1030482839 /nfs/dbraw/zinc/48/28/39/1030482839.db2.gz BWALLKJJKRLQCA-RBUKOAKNSA-N 1 1 313.445 3.798 20 30 DHEDMO C=CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCC)c1ccccc1 ZINC000558281929 1030516132 /nfs/dbraw/zinc/51/61/32/1030516132.db2.gz SRMBYWOAAPJBSU-WMZOPIPTSA-N 1 1 302.462 3.583 20 30 DHEDMO COc1ccc(OC)c(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000358590494 1030549257 /nfs/dbraw/zinc/54/92/57/1030549257.db2.gz NUSGBUPXVWYBPL-LBPRGKRZSA-N 1 1 314.360 3.565 20 30 DHEDMO Fc1cccc(N=NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000795006425 1030555492 /nfs/dbraw/zinc/55/54/92/1030555492.db2.gz HVKOGIXWTAVEJX-CALCHBBNSA-N 1 1 324.403 3.816 20 30 DHEDMO CC[C@@H](CSC)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000558422238 1030569681 /nfs/dbraw/zinc/56/96/81/1030569681.db2.gz AIGNUNWXYKVUDF-INIZCTEOSA-N 1 1 306.475 3.943 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@@H](CC)CSC)c1C ZINC000358742719 1030609885 /nfs/dbraw/zinc/60/98/85/1030609885.db2.gz GHOXPNUFHXRKJW-HNNXBMFYSA-N 1 1 308.491 3.547 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H](CC)CSC)c1C ZINC000358742719 1030609892 /nfs/dbraw/zinc/60/98/92/1030609892.db2.gz GHOXPNUFHXRKJW-HNNXBMFYSA-N 1 1 308.491 3.547 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1csc(C(F)(F)F)c1 ZINC000926227243 1030664949 /nfs/dbraw/zinc/66/49/49/1030664949.db2.gz BOISIIDTONPPSU-VIFPVBQESA-N 1 1 311.332 3.884 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cn2c(n1)CCCC2 ZINC000926369121 1030715934 /nfs/dbraw/zinc/71/59/34/1030715934.db2.gz BDSDXMAWYQIRFL-GFCCVEGCSA-N 1 1 314.820 3.595 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H]1c1ccc(C)s1 ZINC000359095495 1030775435 /nfs/dbraw/zinc/77/54/35/1030775435.db2.gz MOUHJEZPPBDPLG-HOTGVXAUSA-N 1 1 318.486 3.783 20 30 DHEDMO N#CCc1ccc(C[NH2+][C@@H]2COCc3cccc(Cl)c32)cc1 ZINC000926627733 1030830607 /nfs/dbraw/zinc/83/06/07/1030830607.db2.gz NLMQQGVLBLPJCH-QGZVFWFLSA-N 1 1 312.800 3.767 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000614962486 1030875141 /nfs/dbraw/zinc/87/51/41/1030875141.db2.gz HQFPPUJARJIURA-DYESRHJHSA-N 1 1 319.452 3.826 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000614962486 1030875143 /nfs/dbraw/zinc/87/51/43/1030875143.db2.gz HQFPPUJARJIURA-DYESRHJHSA-N 1 1 319.452 3.826 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000614962486 1030875172 /nfs/dbraw/zinc/87/51/72/1030875172.db2.gz HQFPPUJARJIURA-DYESRHJHSA-N 1 1 319.452 3.826 20 30 DHEDMO N#Cc1ccccc1N1CCC[N@H+]([C@H]2CCc3ccccc32)CC1 ZINC000614963898 1030879220 /nfs/dbraw/zinc/87/92/20/1030879220.db2.gz OTHMGIIEDZLCCF-NRFANRHFSA-N 1 1 317.436 3.758 20 30 DHEDMO CCOc1c(F)cc(C[NH+]2CCC(S)CC2)cc1Cl ZINC001143745059 1030942132 /nfs/dbraw/zinc/94/21/32/1030942132.db2.gz JSPBZDYFCIXMSH-UHFFFAOYSA-N 1 1 303.830 3.772 20 30 DHEDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)C1 ZINC000359556830 1031029360 /nfs/dbraw/zinc/02/93/60/1031029360.db2.gz MLBSYMGUBUOMIO-LIRRHRJNSA-N 1 1 322.412 3.620 20 30 DHEDMO N#Cc1ccc(CNC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000237842784 1031030247 /nfs/dbraw/zinc/03/02/47/1031030247.db2.gz MPBMXZZDMIYXOZ-HXUWFJFHSA-N 1 1 311.473 3.693 20 30 DHEDMO N#Cc1ccc(C[NH2+]C[C@H]2CCCN2CC2CCCCC2)cc1 ZINC000237842784 1031030267 /nfs/dbraw/zinc/03/02/67/1031030267.db2.gz MPBMXZZDMIYXOZ-HXUWFJFHSA-N 1 1 311.473 3.693 20 30 DHEDMO N#Cc1cccc(CNC[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000237846465 1031040151 /nfs/dbraw/zinc/04/01/51/1031040151.db2.gz NWFCJBPBNOEDMI-HXUWFJFHSA-N 1 1 311.473 3.693 20 30 DHEDMO N#Cc1cccc(C[NH2+]C[C@H]2CCCN2CC2CCCCC2)c1 ZINC000237846465 1031040169 /nfs/dbraw/zinc/04/01/69/1031040169.db2.gz NWFCJBPBNOEDMI-HXUWFJFHSA-N 1 1 311.473 3.693 20 30 DHEDMO C=CC[C@@H](C)C(=O)N(C)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001144019681 1031178621 /nfs/dbraw/zinc/17/86/21/1031178621.db2.gz ZVTLECUWNYUKDY-SCTDSRPQSA-N 1 1 314.473 3.568 20 30 DHEDMO C=CC[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001144026011 1031184673 /nfs/dbraw/zinc/18/46/73/1031184673.db2.gz CVTXGBACSBPNNI-DSLXNQLJSA-N 1 1 312.457 3.510 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OCc2ccncc2)c(OC)c1)C1CC1 ZINC000273541674 1031287530 /nfs/dbraw/zinc/28/75/30/1031287530.db2.gz XALVXZXTYBXOAT-UHFFFAOYSA-N 1 1 324.424 3.820 20 30 DHEDMO C[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cn1 ZINC001144169334 1031307814 /nfs/dbraw/zinc/30/78/14/1031307814.db2.gz GBWZQKLZGMMAGK-UHFFFAOYSA-N 1 1 319.330 3.647 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)CCOCC2CC2)cc1Cl ZINC000536710751 1031413929 /nfs/dbraw/zinc/41/39/29/1031413929.db2.gz SQNFOFILJDCXFA-UHFFFAOYSA-N 1 1 309.837 3.763 20 30 DHEDMO CC[N@@H+](CCOC1CCSCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000929330996 1031494500 /nfs/dbraw/zinc/49/45/00/1031494500.db2.gz NILODRHKPLGOKU-OAHLLOKOSA-N 1 1 318.486 3.853 20 30 DHEDMO Cc1nc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)sc1C ZINC001144359877 1031496402 /nfs/dbraw/zinc/49/64/02/1031496402.db2.gz PMUAKTWQIGUHHR-UHFFFAOYSA-N 1 1 311.454 3.817 20 30 DHEDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000293522608 1031500335 /nfs/dbraw/zinc/50/03/35/1031500335.db2.gz IRKXFERAHAERQP-UONOGXRCSA-N 1 1 312.335 3.752 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCCN(c3nccs3)CC2)CCC1 ZINC000929347987 1031501873 /nfs/dbraw/zinc/50/18/73/1031501873.db2.gz MKYWHZNZSMVSQG-UHFFFAOYSA-N 1 1 318.490 3.519 20 30 DHEDMO N#Cc1ccc(C[N@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)C2CC2)cc1 ZINC000929368012 1031503995 /nfs/dbraw/zinc/50/39/95/1031503995.db2.gz UGZJTUCIZOXEML-JKSUJKDBSA-N 1 1 324.346 3.633 20 30 DHEDMO C[N@H+](Cc1cncc(C#N)c1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000929423848 1031518901 /nfs/dbraw/zinc/51/89/01/1031518901.db2.gz DREJGPZWJVGSTF-UXHICEINSA-N 1 1 321.424 3.553 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000360690317 1031520442 /nfs/dbraw/zinc/52/04/42/1031520442.db2.gz NDJAXCUFJCUBMK-FQEVSTJZSA-N 1 1 322.383 3.719 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000360690317 1031520450 /nfs/dbraw/zinc/52/04/50/1031520450.db2.gz NDJAXCUFJCUBMK-FQEVSTJZSA-N 1 1 322.383 3.719 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000537187425 1031532938 /nfs/dbraw/zinc/53/29/38/1031532938.db2.gz GNQFREOSTPZWQQ-IRXDYDNUSA-N 1 1 309.498 3.543 20 30 DHEDMO N#Cc1c(C[N@@H+]2Cc3ccccc3C3(CC3)C2)cn2ccccc12 ZINC000360737931 1031539465 /nfs/dbraw/zinc/53/94/65/1031539465.db2.gz NVVUUGXVHWGAKR-UHFFFAOYSA-N 1 1 313.404 3.858 20 30 DHEDMO N#Cc1c(C[N@H+]2Cc3ccccc3C3(CC3)C2)cn2ccccc12 ZINC000360737931 1031539475 /nfs/dbraw/zinc/53/94/75/1031539475.db2.gz NVVUUGXVHWGAKR-UHFFFAOYSA-N 1 1 313.404 3.858 20 30 DHEDMO N#CC1CCC(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)CC1 ZINC000929609971 1031557563 /nfs/dbraw/zinc/55/75/63/1031557563.db2.gz QBMKMQJNCJTNRH-UHFFFAOYSA-N 1 1 308.429 3.742 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872278595 1031572612 /nfs/dbraw/zinc/57/26/12/1031572612.db2.gz VFAINLQEKBVGBS-LJQANCHMSA-N 1 1 314.429 3.513 20 30 DHEDMO CCc1ccc([C@@H]2COCC[N@@H+]2CC2CCC(C#N)CC2)o1 ZINC000929676961 1031574745 /nfs/dbraw/zinc/57/47/45/1031574745.db2.gz WGOAPXIPNZIURO-DQPZFDDXSA-N 1 1 302.418 3.545 20 30 DHEDMO CCc1ccc([C@@H]2COCC[N@H+]2CC2CCC(C#N)CC2)o1 ZINC000929676961 1031574756 /nfs/dbraw/zinc/57/47/56/1031574756.db2.gz WGOAPXIPNZIURO-DQPZFDDXSA-N 1 1 302.418 3.545 20 30 DHEDMO C[C@@H]1SCC[N@H+](Cc2cncc(C#N)c2)[C@H]1c1ccccc1 ZINC000929674444 1031574913 /nfs/dbraw/zinc/57/49/13/1031574913.db2.gz KHSQTTIJAKGDMJ-KBXCAEBGSA-N 1 1 309.438 3.632 20 30 DHEDMO C[C@@H]1SCC[N@@H+](Cc2cncc(C#N)c2)[C@H]1c1ccccc1 ZINC000929674444 1031574924 /nfs/dbraw/zinc/57/49/24/1031574924.db2.gz KHSQTTIJAKGDMJ-KBXCAEBGSA-N 1 1 309.438 3.632 20 30 DHEDMO Cc1ccc(CC[N@@H+](CCC(C)(C)C#N)C[C@@H]2CCCO2)cc1 ZINC000537368833 1031583156 /nfs/dbraw/zinc/58/31/56/1031583156.db2.gz PYNKEYNYOLUVRS-IBGZPJMESA-N 1 1 314.473 3.958 20 30 DHEDMO C[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H](CCO)c1ccccc1 ZINC000929726336 1031590594 /nfs/dbraw/zinc/59/05/94/1031590594.db2.gz RXXZAJZOXDMDJG-SFHVURJKSA-N 1 1 314.816 3.767 20 30 DHEDMO CC(C)(C)OC1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929835365 1031620680 /nfs/dbraw/zinc/62/06/80/1031620680.db2.gz QJFJZFWFUNRPRZ-UHFFFAOYSA-N 1 1 306.837 3.991 20 30 DHEDMO C[N@@H+](CC1CCC(C#N)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000930036422 1031683630 /nfs/dbraw/zinc/68/36/30/1031683630.db2.gz AUCUTQDIPQHLNI-UUKMXZOPSA-N 1 1 311.473 3.523 20 30 DHEDMO N#CC1CCC(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)CC1 ZINC000930089734 1031695851 /nfs/dbraw/zinc/69/58/51/1031695851.db2.gz GZVVIEAKQJSMIZ-NLPFYKDJSA-N 1 1 312.457 3.589 20 30 DHEDMO Cc1nc2c(s1)[C@H]([NH2+]Cc1cccc(F)c1C#N)CCC2 ZINC000873101866 1031711708 /nfs/dbraw/zinc/71/17/08/1031711708.db2.gz CUYHFYFPCOOHNW-CQSZACIVSA-N 1 1 301.390 3.630 20 30 DHEDMO C[C@@H]1c2ccccc2C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000361072898 1031712960 /nfs/dbraw/zinc/71/29/60/1031712960.db2.gz HKVBIICCJCFMNK-GFCCVEGCSA-N 1 1 311.410 3.525 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](CCSc3ccncc3)CC2)cc1 ZINC000930158571 1031718013 /nfs/dbraw/zinc/71/80/13/1031718013.db2.gz NSJKGNWFGYCDBQ-UHFFFAOYSA-N 1 1 321.449 3.835 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC001144581553 1031722607 /nfs/dbraw/zinc/72/26/07/1031722607.db2.gz WMBCFZYKZOWTAR-FQEVSTJZSA-N 1 1 319.404 3.792 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCSC[C@@H]2c2ccc(OC)cc2)cc1 ZINC001144573189 1031722858 /nfs/dbraw/zinc/72/28/58/1031722858.db2.gz DHDSULBICAYHPC-HXUWFJFHSA-N 1 1 323.461 3.967 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3OC)C2)cc1 ZINC001144573427 1031722956 /nfs/dbraw/zinc/72/29/56/1031722956.db2.gz JLDKISWSKWFAOK-LJQANCHMSA-N 1 1 321.420 3.720 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cc1 ZINC001144576827 1031724382 /nfs/dbraw/zinc/72/43/82/1031724382.db2.gz RPCFRMTUSFCLLA-HXUWFJFHSA-N 1 1 316.404 3.583 20 30 DHEDMO C=CCCCC[N@@H+](C)Cc1nc(OC)ccc1Br ZINC001144609627 1031754070 /nfs/dbraw/zinc/75/40/70/1031754070.db2.gz KCLHBFTVBWFYPH-UHFFFAOYSA-N 1 1 313.239 3.641 20 30 DHEDMO C=CCCCC[N@H+](C)Cc1nc(OC)ccc1Br ZINC001144609627 1031754081 /nfs/dbraw/zinc/75/40/81/1031754081.db2.gz KCLHBFTVBWFYPH-UHFFFAOYSA-N 1 1 313.239 3.641 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000846011471 1031804194 /nfs/dbraw/zinc/80/41/94/1031804194.db2.gz XZBLUQDUYKRJBY-GOSISDBHSA-N 1 1 320.864 3.953 20 30 DHEDMO C[N@@H+](CCc1nc(-c2ccccc2)no1)CC1CCC(C#N)CC1 ZINC000930454306 1031825480 /nfs/dbraw/zinc/82/54/80/1031825480.db2.gz ADKUXPKJKFWICV-UHFFFAOYSA-N 1 1 324.428 3.541 20 30 DHEDMO Cc1cc([NH+]2CCCCCC2)ccc1Nc1cc(C#N)ncn1 ZINC000561358983 1031854934 /nfs/dbraw/zinc/85/49/34/1031854934.db2.gz QZHWIQMCSKPCIR-UHFFFAOYSA-N 1 1 307.401 3.781 20 30 DHEDMO C[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000361346055 1031877811 /nfs/dbraw/zinc/87/78/11/1031877811.db2.gz MAZIZGARPOZUCT-HNNXBMFYSA-N 1 1 319.408 3.506 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000846107000 1031880410 /nfs/dbraw/zinc/88/04/10/1031880410.db2.gz DQDXUESYJMRPTC-CJNGLKHVSA-N 1 1 306.356 3.599 20 30 DHEDMO C[C@@H](C[N@@H+](C)CCCCC1(C#N)CCC1)C(=O)OC(C)(C)C ZINC000930705110 1031921512 /nfs/dbraw/zinc/92/15/12/1031921512.db2.gz HJWNUBDYGSZIMN-HNNXBMFYSA-N 1 1 308.466 3.760 20 30 DHEDMO C[NH+]1CCN(N=Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000873833330 1031944557 /nfs/dbraw/zinc/94/45/57/1031944557.db2.gz MYTSLAOCLFXJJW-UHFFFAOYSA-N 1 1 319.861 3.650 20 30 DHEDMO C=CC[C@H](C)[C@H](C)[NH2+][C@H](c1nccn1C)c1ccc(F)cc1F ZINC000898107818 1031949528 /nfs/dbraw/zinc/94/95/28/1031949528.db2.gz XPUSQSOMASKQJT-DCGLDWPTSA-N 1 1 319.399 3.978 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001171221037 1031958289 /nfs/dbraw/zinc/95/82/89/1031958289.db2.gz HJDDCTDFPMKVKZ-UWJYYQICSA-N 1 1 320.436 3.780 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001171221767 1031963660 /nfs/dbraw/zinc/96/36/60/1031963660.db2.gz UKVHOOQMOKERIY-OXQOHEQNSA-N 1 1 305.425 3.591 20 30 DHEDMO CC(C)(C)OC(=O)C1(CC[N@H+]2CCC[C@@H](CC#N)C2)CCC1 ZINC000930923029 1031985464 /nfs/dbraw/zinc/98/54/64/1031985464.db2.gz FTRDAWFTKDPBMN-HNNXBMFYSA-N 1 1 306.450 3.514 20 30 DHEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000930934228 1031989265 /nfs/dbraw/zinc/98/92/65/1031989265.db2.gz IOJSCIDSYJKUGV-HKUYNNGSSA-N 1 1 314.473 3.617 20 30 DHEDMO COc1cccc2c1CC[N@H+]([C@@H](C)Cc1cccc(C#N)c1)C2 ZINC001171227826 1031991994 /nfs/dbraw/zinc/99/19/94/1031991994.db2.gz ASAPYEVWUHGHCI-HNNXBMFYSA-N 1 1 306.409 3.556 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](CC2CC2)C2CCC2)c1C ZINC000361586488 1032001101 /nfs/dbraw/zinc/00/11/01/1032001101.db2.gz SNEZIKXGDLYTEL-UHFFFAOYSA-N 1 1 300.446 3.738 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCOC[C@@H]2c2cccc(F)c2)CC1 ZINC000931017952 1032011081 /nfs/dbraw/zinc/01/10/81/1032011081.db2.gz JUJRVGVLLYZKFN-JTTJXQCZSA-N 1 1 302.393 3.529 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCOC[C@@H]2c2cccc(F)c2)CC1 ZINC000931017952 1032011098 /nfs/dbraw/zinc/01/10/98/1032011098.db2.gz JUJRVGVLLYZKFN-JTTJXQCZSA-N 1 1 302.393 3.529 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000931062702 1032021380 /nfs/dbraw/zinc/02/13/80/1032021380.db2.gz SOQRTHHSPYEQNA-RHSMWYFYSA-N 1 1 315.461 3.753 20 30 DHEDMO N#CC1(CCCC[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CCC1 ZINC000931076125 1032026491 /nfs/dbraw/zinc/02/64/91/1032026491.db2.gz LMHUODRUBJQYQF-KDURUIRLSA-N 1 1 302.462 3.743 20 30 DHEDMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)C[C@@H](C)CCC#N ZINC000877484916 1033315698 /nfs/dbraw/zinc/31/56/98/1033315698.db2.gz HQMIAARYPMOMPE-LSDHHAIUSA-N 1 1 315.417 3.576 20 30 DHEDMO COc1ccc(C[N@H+](CC2(C#N)CC2)[C@@H](C)C2CC2)c(OC)c1 ZINC000338378360 1033335166 /nfs/dbraw/zinc/33/51/66/1033335166.db2.gz RTGOUPNMCFOWLG-AWEZNQCLSA-N 1 1 314.429 3.608 20 30 DHEDMO COc1ccc(C[N@@H+](CC2(C#N)CC2)[C@@H](C)C2CC2)c(OC)c1 ZINC000338378360 1033335171 /nfs/dbraw/zinc/33/51/71/1033335171.db2.gz RTGOUPNMCFOWLG-AWEZNQCLSA-N 1 1 314.429 3.608 20 30 DHEDMO C#CC[N@H+]([C@@H](C)CCC(=O)OC(C)C)[C@@H]1CCc2ccccc21 ZINC001172759161 1033353611 /nfs/dbraw/zinc/35/36/11/1033353611.db2.gz NPDMHGKKYFUFHI-QFBILLFUSA-N 1 1 313.441 3.729 20 30 DHEDMO COc1ccccc1[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)CC1 ZINC000877769719 1033442886 /nfs/dbraw/zinc/44/28/86/1033442886.db2.gz MGIJGVCJMDOLKZ-MRXNPFEDSA-N 1 1 321.424 3.732 20 30 DHEDMO CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1 ZINC000877902051 1033505396 /nfs/dbraw/zinc/50/53/96/1033505396.db2.gz DRMLZSMAZNPNMK-OAQYLSRUSA-N 1 1 320.436 3.949 20 30 DHEDMO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC001173086301 1033537842 /nfs/dbraw/zinc/53/78/42/1033537842.db2.gz UKVLNHVZXAHBRI-WFASDCNBSA-N 1 1 312.335 3.752 20 30 DHEDMO CCCCCCCC[N@H+](CCN)[C@H]1CCc2ncsc2C1 ZINC001173141441 1033567740 /nfs/dbraw/zinc/56/77/40/1033567740.db2.gz PWWFZUIRWYMRGW-HNNXBMFYSA-N 1 1 309.523 3.622 20 30 DHEDMO CCCCCCCC[N@@H+](CCN)[C@H]1CCc2ncsc2C1 ZINC001173141441 1033567748 /nfs/dbraw/zinc/56/77/48/1033567748.db2.gz PWWFZUIRWYMRGW-HNNXBMFYSA-N 1 1 309.523 3.622 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+](C1CC1)C1CCCC1)c1ccccc1 ZINC000878085457 1033576093 /nfs/dbraw/zinc/57/60/93/1033576093.db2.gz MCMVFEZKRVPLJQ-FQEVSTJZSA-N 1 1 310.441 3.834 20 30 DHEDMO C#CCCCCC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000878112572 1033583715 /nfs/dbraw/zinc/58/37/15/1033583715.db2.gz LMSJFBBXYACJTF-UHFFFAOYSA-N 1 1 301.274 3.997 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878152499 1033601751 /nfs/dbraw/zinc/60/17/51/1033601751.db2.gz IFDSPJYUZDZPCH-UJMXGEILSA-N 1 1 310.441 3.716 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878152499 1033601757 /nfs/dbraw/zinc/60/17/57/1033601757.db2.gz IFDSPJYUZDZPCH-UJMXGEILSA-N 1 1 310.441 3.716 20 30 DHEDMO CSCC[C@H](C)[N@@H+](C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878251349 1033634557 /nfs/dbraw/zinc/63/45/57/1033634557.db2.gz XOUZCHBUHFDWMX-MAUKXSAKSA-N 1 1 318.486 3.500 20 30 DHEDMO C=CC[N@H+](Cc1cc(C(=O)OC)ccc1OC)C1CCCCC1 ZINC001137251539 1033641635 /nfs/dbraw/zinc/64/16/35/1033641635.db2.gz JPTKXFLWNMVFCG-UHFFFAOYSA-N 1 1 317.429 3.803 20 30 DHEDMO C=C(C)C[N@@H+](C)Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC000878382633 1033683577 /nfs/dbraw/zinc/68/35/77/1033683577.db2.gz FEAAQZVNPWHZSE-UHFFFAOYSA-N 1 1 323.396 3.906 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1nnc(-c2cc3ccccc3cc2OC)o1 ZINC000878382633 1033683585 /nfs/dbraw/zinc/68/35/85/1033683585.db2.gz FEAAQZVNPWHZSE-UHFFFAOYSA-N 1 1 323.396 3.906 20 30 DHEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000878384260 1033683751 /nfs/dbraw/zinc/68/37/51/1033683751.db2.gz AVSLCISGLGMDGI-WBVHZDCISA-N 1 1 300.446 3.540 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@@H](c3ccc(OC)cc3)C2)CC1 ZINC001173322853 1033685666 /nfs/dbraw/zinc/68/56/66/1033685666.db2.gz NKMFHGRRSWMLRU-PGYGNJIDSA-N 1 1 315.457 3.998 20 30 DHEDMO C=CCOC1CCC([N@@H+](C)CCC(=O)c2cccs2)CC1 ZINC001173322371 1033686719 /nfs/dbraw/zinc/68/67/19/1033686719.db2.gz CPMMLWZNNVRIFM-UHFFFAOYSA-N 1 1 307.459 3.767 20 30 DHEDMO N#CCC1CCC([NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001173336262 1033690578 /nfs/dbraw/zinc/69/05/78/1033690578.db2.gz UGOYBAOVQPCPRP-UHFFFAOYSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CCC1CCC(N2CCC3(CCC[N@@H+]3CC3CC3)CC2)CC1 ZINC001173336262 1033690588 /nfs/dbraw/zinc/69/05/88/1033690588.db2.gz UGOYBAOVQPCPRP-UHFFFAOYSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CCC1CCC(N2CCC3(CCC[N@H+]3CC3CC3)CC2)CC1 ZINC001173336262 1033690598 /nfs/dbraw/zinc/69/05/98/1033690598.db2.gz UGOYBAOVQPCPRP-UHFFFAOYSA-N 1 1 315.505 3.799 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1C[C@@H](C)CC(C)(C)C1)c1ccccc1 ZINC000878403627 1033691809 /nfs/dbraw/zinc/69/18/09/1033691809.db2.gz DERXJIUFHIDBHJ-JXFKEZNVSA-N 1 1 312.457 3.795 20 30 DHEDMO N#CCC1CCC([N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC001173339500 1033693596 /nfs/dbraw/zinc/69/35/96/1033693596.db2.gz QIMLJCWEDGWKII-BCKAPOECSA-N 1 1 323.484 3.665 20 30 DHEDMO Cc1ccnc(O[C@@H]2CCC[N@H+](C3CCC(CC#N)CC3)C2)c1 ZINC001173339357 1033693858 /nfs/dbraw/zinc/69/38/58/1033693858.db2.gz FYQBIZIPIQFPCT-DAWZGUTISA-N 1 1 313.445 3.706 20 30 DHEDMO Cc1cc(C)c(C#N)c(NCCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000339031022 1033696427 /nfs/dbraw/zinc/69/64/27/1033696427.db2.gz BWGWCDPRXNQAKF-INIZCTEOSA-N 1 1 300.450 3.637 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+](CC1CCC1)C(C)C)c1ccccc1 ZINC000878515822 1033730860 /nfs/dbraw/zinc/73/08/60/1033730860.db2.gz ISMFIKLXIVRNKL-HXUWFJFHSA-N 1 1 312.457 3.938 20 30 DHEDMO C[C@H]1C[C@@H](C(=O)Nc2cc(C(C)(C)C)sc2C#N)CC[N@H+]1C ZINC000889708417 1033736196 /nfs/dbraw/zinc/73/61/96/1033736196.db2.gz XWDDMFJLPUKFCO-RYUDHWBXSA-N 1 1 319.474 3.586 20 30 DHEDMO C[N@@H+](Cc1ccccc1)C1CCC(=NOC2CCOCC2)CC1 ZINC000797785980 1033753140 /nfs/dbraw/zinc/75/31/40/1033753140.db2.gz BCHOWNNMQADZKD-UHFFFAOYSA-N 1 1 316.445 3.613 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CC(C)(C)OC1(C)C ZINC000878607452 1033768462 /nfs/dbraw/zinc/76/84/62/1033768462.db2.gz VRTMPJVPDFLDJG-HNNXBMFYSA-N 1 1 321.461 3.744 20 30 DHEDMO CC1(C#N)CCC([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)CC1 ZINC001173584554 1033777246 /nfs/dbraw/zinc/77/72/46/1033777246.db2.gz AFJUBFGYGMPCMS-UHFFFAOYSA-N 1 1 320.252 3.881 20 30 DHEDMO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173596181 1033781756 /nfs/dbraw/zinc/78/17/56/1033781756.db2.gz MQDUQINCRQSLSG-QHGAOEGBSA-N 1 1 311.473 3.665 20 30 DHEDMO COc1ccc(C[N@H+](CCC#N)CC(C)C)cc1OC1CC1 ZINC000862213824 1033781776 /nfs/dbraw/zinc/78/17/76/1033781776.db2.gz VXYJEHOVJXBSRV-UHFFFAOYSA-N 1 1 302.418 3.608 20 30 DHEDMO COc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1OC1CC1 ZINC000862213824 1033781787 /nfs/dbraw/zinc/78/17/87/1033781787.db2.gz VXYJEHOVJXBSRV-UHFFFAOYSA-N 1 1 302.418 3.608 20 30 DHEDMO CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173599390 1033783063 /nfs/dbraw/zinc/78/30/63/1033783063.db2.gz KVTXQOIPUXGBFD-SWKXRBFHSA-N 1 1 306.450 3.655 20 30 DHEDMO CC1(C#N)CCC([N@H+]2Cc3cnn(-c4ccccc4)c3C2)CC1 ZINC001173600839 1033787493 /nfs/dbraw/zinc/78/74/93/1033787493.db2.gz KGZBKRNKUCOBCD-UHFFFAOYSA-N 1 1 306.413 3.660 20 30 DHEDMO COc1cc2c(cc1OC)C[N@H+](C1CCC(C)(C#N)CC1)CC2 ZINC001173600310 1033788099 /nfs/dbraw/zinc/78/80/99/1033788099.db2.gz ZEZSPWXHEXHNCW-UHFFFAOYSA-N 1 1 314.429 3.534 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+](Cc2ccccc2)CC2CCC2)cc1 ZINC000127275133 1033792131 /nfs/dbraw/zinc/79/21/31/1033792131.db2.gz WKJUCHYZSFCDER-NRFANRHFSA-N 1 1 320.436 3.894 20 30 DHEDMO CC(C)(C#N)CC[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000553707355 1033801021 /nfs/dbraw/zinc/80/10/21/1033801021.db2.gz HKMXTBLWISAFQA-UHFFFAOYSA-N 1 1 300.446 3.734 20 30 DHEDMO CCOC(=O)[C@@H]1CC12CCC([N@@H+](CCC#N)C1CCCC1)CC2 ZINC001173616759 1033806546 /nfs/dbraw/zinc/80/65/46/1033806546.db2.gz XKLXADPAKAPMNO-HFCFLWKCSA-N 1 1 318.461 3.657 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000878760151 1033821202 /nfs/dbraw/zinc/82/12/02/1033821202.db2.gz FJEATAYIHLURBU-HNNXBMFYSA-N 1 1 310.397 3.586 20 30 DHEDMO C=CC[C@@H]([NH2+]C1CCC2(CCc3ccccc32)CC1)C(=O)OC ZINC001173685642 1033830187 /nfs/dbraw/zinc/83/01/87/1033830187.db2.gz YPYWXGDJLMFBBV-KGXSXCIVSA-N 1 1 313.441 3.521 20 30 DHEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000878844184 1033840991 /nfs/dbraw/zinc/84/09/91/1033840991.db2.gz SMHWUYLJYBXWIN-IRXDYDNUSA-N 1 1 306.494 3.702 20 30 DHEDMO C#CC[N@H+](C)[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173713633 1033841770 /nfs/dbraw/zinc/84/17/70/1033841770.db2.gz NPZSLYBVWZSRPH-HXUWFJFHSA-N 1 1 305.421 3.688 20 30 DHEDMO Cc1ccc([C@@H](C)C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC000862401814 1033843712 /nfs/dbraw/zinc/84/37/12/1033843712.db2.gz UDPZWAOMPNQMPH-OXJNMPFZSA-N 1 1 308.425 3.636 20 30 DHEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000862442979 1033855537 /nfs/dbraw/zinc/85/55/37/1033855537.db2.gz JYUHCTPEZPZMQR-QGZVFWFLSA-N 1 1 306.409 3.506 20 30 DHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878887505 1033856668 /nfs/dbraw/zinc/85/66/68/1033856668.db2.gz GEXVGOGQOCWKLG-DOTOQJQBSA-N 1 1 319.399 3.764 20 30 DHEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878887505 1033856678 /nfs/dbraw/zinc/85/66/78/1033856678.db2.gz GEXVGOGQOCWKLG-DOTOQJQBSA-N 1 1 319.399 3.764 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000862448357 1033859990 /nfs/dbraw/zinc/85/99/90/1033859990.db2.gz XPDSMOPQOATEHU-CYBMUJFWSA-N 1 1 300.402 3.794 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)cc1F ZINC000878937094 1033870087 /nfs/dbraw/zinc/87/00/87/1033870087.db2.gz OPFJOMWFSBFMOH-INIZCTEOSA-N 1 1 300.333 3.636 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)o2)cc1F ZINC000878937094 1033870096 /nfs/dbraw/zinc/87/00/96/1033870096.db2.gz OPFJOMWFSBFMOH-INIZCTEOSA-N 1 1 300.333 3.636 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000829773315 1033871369 /nfs/dbraw/zinc/87/13/69/1033871369.db2.gz CWALLZZCMYVUHA-CHWSQXEVSA-N 1 1 301.415 3.594 20 30 DHEDMO C=CCCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000878960241 1033878745 /nfs/dbraw/zinc/87/87/45/1033878745.db2.gz ITPNUZZMQPJGTQ-UHOSZYNNSA-N 1 1 314.473 3.725 20 30 DHEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccccc1OC(F)F ZINC000174264812 1033916956 /nfs/dbraw/zinc/91/69/56/1033916956.db2.gz OHBKFYCRFHJZOV-CQSZACIVSA-N 1 1 306.312 3.994 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2cc(F)ccc2Br)cc1 ZINC000037996315 1033938482 /nfs/dbraw/zinc/93/84/82/1033938482.db2.gz KHRNQIGTVUVTOZ-UHFFFAOYSA-N 1 1 319.177 3.750 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cc(F)cc(F)c3)sc2C1 ZINC001173912787 1033945191 /nfs/dbraw/zinc/94/51/91/1033945191.db2.gz GAWNSGQYVFWTGN-UHFFFAOYSA-N 1 1 305.353 3.629 20 30 DHEDMO N#CCCOCC[N@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC000339047415 1033954660 /nfs/dbraw/zinc/95/46/60/1033954660.db2.gz NHYBAQIIKJRZJU-IBGZPJMESA-N 1 1 300.446 3.652 20 30 DHEDMO C[N@H+](C[C@H](O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1C#N ZINC000879308622 1033978993 /nfs/dbraw/zinc/97/89/93/1033978993.db2.gz FJOIJQSEHQQBEV-GLQYFDAESA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@@H+](C[C@H](O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1C#N ZINC000879308622 1033979001 /nfs/dbraw/zinc/97/90/01/1033979001.db2.gz FJOIJQSEHQQBEV-GLQYFDAESA-N 1 1 313.228 3.651 20 30 DHEDMO CCCCCCCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000119240362 1033979635 /nfs/dbraw/zinc/97/96/35/1033979635.db2.gz PZGWUXXWWQIVJC-WMZOPIPTSA-N 1 1 306.494 3.822 20 30 DHEDMO C[N@H+](C[C@H](O)c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@H]1C#N ZINC000879308620 1033979787 /nfs/dbraw/zinc/97/97/87/1033979787.db2.gz FJOIJQSEHQQBEV-CQDKDKBSSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@@H+](C[C@H](O)c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@H]1C#N ZINC000879308620 1033979790 /nfs/dbraw/zinc/97/97/90/1033979790.db2.gz FJOIJQSEHQQBEV-CQDKDKBSSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC000879308623 1033980350 /nfs/dbraw/zinc/98/03/50/1033980350.db2.gz FJOIJQSEHQQBEV-KCPJHIHWSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC000879308623 1033980361 /nfs/dbraw/zinc/98/03/61/1033980361.db2.gz FJOIJQSEHQQBEV-KCPJHIHWSA-N 1 1 313.228 3.651 20 30 DHEDMO Cc1cccc(N=NC(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000863159812 1034008409 /nfs/dbraw/zinc/00/84/09/1034008409.db2.gz FQKGUKALTOLYJF-GOSISDBHSA-N 1 1 308.429 3.700 20 30 DHEDMO C=CCCCCC[N@@H+](C)[C@@H](C)c1ncc(Br)cn1 ZINC000554238012 1034033373 /nfs/dbraw/zinc/03/33/73/1034033373.db2.gz AHNPDRFMFBEBGD-LBPRGKRZSA-N 1 1 312.255 3.978 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)c1ncc(Br)cn1 ZINC000554238012 1034033386 /nfs/dbraw/zinc/03/33/86/1034033386.db2.gz AHNPDRFMFBEBGD-LBPRGKRZSA-N 1 1 312.255 3.978 20 30 DHEDMO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc(C#N)s2)c1 ZINC000176956954 1034123176 /nfs/dbraw/zinc/12/31/76/1034123176.db2.gz HTZXGVQWFCBZMK-UHFFFAOYSA-N 1 1 313.470 3.750 20 30 DHEDMO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(C#N)s2)c1 ZINC000176956954 1034123182 /nfs/dbraw/zinc/12/31/82/1034123182.db2.gz HTZXGVQWFCBZMK-UHFFFAOYSA-N 1 1 313.470 3.750 20 30 DHEDMO C[C@@H](CCc1ccccc1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000842147346 1034154734 /nfs/dbraw/zinc/15/47/34/1034154734.db2.gz BBWJTUOTAHFNHX-JXFKEZNVSA-N 1 1 308.425 3.545 20 30 DHEDMO CC(=O)Nc1ccc2c(c1)C[N@@H+]([C@H](C)c1cccc(C#N)c1)CC2 ZINC000880032468 1034191260 /nfs/dbraw/zinc/19/12/60/1034191260.db2.gz DGRDNPWTBVRJEI-CQSZACIVSA-N 1 1 319.408 3.636 20 30 DHEDMO COC(=O)CC[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000880044192 1034194355 /nfs/dbraw/zinc/19/43/55/1034194355.db2.gz XAZAHXXDEVYORS-INIZCTEOSA-N 1 1 306.450 3.516 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000554552359 1034204451 /nfs/dbraw/zinc/20/44/51/1034204451.db2.gz UULUQOXXHKNXDC-IBGZPJMESA-N 1 1 319.408 3.799 20 30 DHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1cc(C)cs1)C2 ZINC001137154344 1034337212 /nfs/dbraw/zinc/33/72/12/1034337212.db2.gz DYRLSDGUPUFICJ-QZTJIDSGSA-N 1 1 321.486 3.630 20 30 DHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000794686125 1034340726 /nfs/dbraw/zinc/34/07/26/1034340726.db2.gz QAFGRFIYCKSPSJ-QGZVFWFLSA-N 1 1 323.444 3.593 20 30 DHEDMO C=C(C)[C@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000480660102 1034372147 /nfs/dbraw/zinc/37/21/47/1034372147.db2.gz OHJBISFFLNUFLX-UUWFMWQGSA-N 1 1 306.400 3.654 20 30 DHEDMO C=C(C)[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000480660102 1034372154 /nfs/dbraw/zinc/37/21/54/1034372154.db2.gz OHJBISFFLNUFLX-UUWFMWQGSA-N 1 1 306.400 3.654 20 30 DHEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000183496412 1034394880 /nfs/dbraw/zinc/39/48/80/1034394880.db2.gz SKLFDTUTKKGJFD-MRXNPFEDSA-N 1 1 313.426 3.573 20 30 DHEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)c1nc(C)cs1 ZINC000184347736 1034465534 /nfs/dbraw/zinc/46/55/34/1034465534.db2.gz KZGLZQAXNSBRLF-CQSZACIVSA-N 1 1 301.415 3.573 20 30 DHEDMO C[N@H+](CCc1ccccc1O)Cc1ccc(Cl)cc1C#N ZINC000481028756 1034559781 /nfs/dbraw/zinc/55/97/81/1034559781.db2.gz VMKHGVDCGZVNTN-UHFFFAOYSA-N 1 1 300.789 3.592 20 30 DHEDMO C[N@@H+](CCc1ccccc1O)Cc1ccc(Cl)cc1C#N ZINC000481028756 1034559791 /nfs/dbraw/zinc/55/97/91/1034559791.db2.gz VMKHGVDCGZVNTN-UHFFFAOYSA-N 1 1 300.789 3.592 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1cc(C)ccc1Cl ZINC001174779319 1034602141 /nfs/dbraw/zinc/60/21/41/1034602141.db2.gz FGPLYQWJDUDGNO-OWCLPIDISA-N 1 1 321.848 3.571 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c(cc1Cl)OCCO2 ZINC001174779960 1034602895 /nfs/dbraw/zinc/60/28/95/1034602895.db2.gz LFYQCALUVXBCQV-OKILXGFUSA-N 1 1 305.805 3.794 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc4cc[nH]c4c3)sc2C1 ZINC001174747786 1034608008 /nfs/dbraw/zinc/60/80/08/1034608008.db2.gz ZANRUAJRRPTTNA-UHFFFAOYSA-N 1 1 308.410 3.833 20 30 DHEDMO CCc1[nH+]c(C)cn1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000865392727 1034625506 /nfs/dbraw/zinc/62/55/06/1034625506.db2.gz GRVTTXYXSDIWBV-UHFFFAOYSA-N 1 1 320.396 3.505 20 30 DHEDMO CC(C)(C)c1csc(C[NH2+]Cc2ccc(OCC#N)cc2)n1 ZINC000865452276 1034653884 /nfs/dbraw/zinc/65/38/84/1034653884.db2.gz MTBJTSIVHAEDAF-UHFFFAOYSA-N 1 1 315.442 3.633 20 30 DHEDMO C=C(C)C[N@@H+](C)CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000481231049 1034676829 /nfs/dbraw/zinc/67/68/29/1034676829.db2.gz QDDZDWYSDVJNPB-UHFFFAOYSA-N 1 1 308.425 3.728 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000481231049 1034676838 /nfs/dbraw/zinc/67/68/38/1034676838.db2.gz QDDZDWYSDVJNPB-UHFFFAOYSA-N 1 1 308.425 3.728 20 30 DHEDMO C=C(C)C[N@@H+](C)Cc1nc2ccccc2c(C)c1C(=O)OCC ZINC000481234370 1034678662 /nfs/dbraw/zinc/67/86/62/1034678662.db2.gz JJWKVZCGRYHOGO-UHFFFAOYSA-N 1 1 312.413 3.728 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1nc2ccccc2c(C)c1C(=O)OCC ZINC000481234370 1034678677 /nfs/dbraw/zinc/67/86/77/1034678677.db2.gz JJWKVZCGRYHOGO-UHFFFAOYSA-N 1 1 312.413 3.728 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000481241775 1034686583 /nfs/dbraw/zinc/68/65/83/1034686583.db2.gz WCGWBJJYTKTPOK-JKSUJKDBSA-N 1 1 310.441 3.913 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000481289395 1034712596 /nfs/dbraw/zinc/71/25/96/1034712596.db2.gz UNVNNMRLCTXQLZ-LLVKDONJSA-N 1 1 300.324 3.540 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000481289395 1034712611 /nfs/dbraw/zinc/71/26/11/1034712611.db2.gz UNVNNMRLCTXQLZ-LLVKDONJSA-N 1 1 300.324 3.540 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000481289469 1034712686 /nfs/dbraw/zinc/71/26/86/1034712686.db2.gz UUUGZDRXDZNSHW-AWEZNQCLSA-N 1 1 313.228 3.607 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000481289947 1034727293 /nfs/dbraw/zinc/72/72/93/1034727293.db2.gz VQKRNPMENQPLLL-LLVKDONJSA-N 1 1 300.324 3.540 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000481289947 1034727304 /nfs/dbraw/zinc/72/73/04/1034727304.db2.gz VQKRNPMENQPLLL-LLVKDONJSA-N 1 1 300.324 3.540 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cccc3n[nH]cc32)C2CC2)cc1 ZINC000600112168 1034747604 /nfs/dbraw/zinc/74/76/04/1034747604.db2.gz OPMKLGFSWZOOFQ-UHFFFAOYSA-N 1 1 302.381 3.599 20 30 DHEDMO CC(=NOCCC(F)(F)F)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000777456021 1034751114 /nfs/dbraw/zinc/75/11/14/1034751114.db2.gz RNSGYXWAJKAMJG-UHFFFAOYSA-N 1 1 311.307 3.874 20 30 DHEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000481376742 1034789312 /nfs/dbraw/zinc/78/93/12/1034789312.db2.gz XERHBAUKLKQOEY-IAQYHMDHSA-N 1 1 307.235 3.941 20 30 DHEDMO CC[C@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481376781 1034790509 /nfs/dbraw/zinc/79/05/09/1034790509.db2.gz XURUQVXJWXMMET-WBMJQRKESA-N 1 1 319.836 3.661 20 30 DHEDMO C[C@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000600195418 1034801093 /nfs/dbraw/zinc/80/10/93/1034801093.db2.gz IRRPUAXEIXPXLF-LSDHHAIUSA-N 1 1 308.466 3.616 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC000600212761 1034807172 /nfs/dbraw/zinc/80/71/72/1034807172.db2.gz IQHIPJBOCAWVBI-UHFFFAOYSA-N 1 1 301.393 3.792 20 30 DHEDMO CCC#C[C@H](C)[N@H+]1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001175267745 1034913433 /nfs/dbraw/zinc/91/34/33/1034913433.db2.gz KDZGFYCYAYRVSV-JKSUJKDBSA-N 1 1 308.466 3.558 20 30 DHEDMO N#Cc1nc(Cl)ccc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175504533 1035012760 /nfs/dbraw/zinc/01/27/60/1035012760.db2.gz AKZUJWUYWLSCKD-UHFFFAOYSA-N 1 1 324.815 3.808 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1C#N ZINC000556025826 1035015869 /nfs/dbraw/zinc/01/58/69/1035015869.db2.gz VKKWZBFJFYWGLN-MRXNPFEDSA-N 1 1 310.372 3.695 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159629928 1035075120 /nfs/dbraw/zinc/07/51/20/1035075120.db2.gz VREKVGHCLIXOKZ-HRAATJIYSA-N 1 1 318.420 3.793 20 30 DHEDMO N#CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000346749549 1035116089 /nfs/dbraw/zinc/11/60/89/1035116089.db2.gz UGKSUHHNKQKGTF-UHFFFAOYSA-N 1 1 308.410 3.604 20 30 DHEDMO C[C@@H](C#N)c1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001175859511 1035146023 /nfs/dbraw/zinc/14/60/23/1035146023.db2.gz LEMLACVBUOCUPW-INIZCTEOSA-N 1 1 321.424 3.889 20 30 DHEDMO N#Cc1cc(Nc2cccc(C[NH+]3CCCC3)c2)c(O)cc1F ZINC001176198140 1035216930 /nfs/dbraw/zinc/21/69/30/1035216930.db2.gz WNZCBXBZJZGKCR-UHFFFAOYSA-N 1 1 311.360 3.742 20 30 DHEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC(C)(C)C1 ZINC000483101906 1035226039 /nfs/dbraw/zinc/22/60/39/1035226039.db2.gz JGTYCGDMQYNILK-AWEZNQCLSA-N 1 1 319.836 3.661 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC2CC2)cc1 ZINC000483171992 1035237197 /nfs/dbraw/zinc/23/71/97/1035237197.db2.gz DSWBYJQKPOKRIE-UHFFFAOYSA-N 1 1 306.409 3.979 20 30 DHEDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)Cc2cc(C#N)n(C)c2)cc1 ZINC000483280688 1035250845 /nfs/dbraw/zinc/25/08/45/1035250845.db2.gz PYNWNYJBZCAYEE-PMACEKPBSA-N 1 1 307.441 3.973 20 30 DHEDMO CC1=C(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000483368517 1035262049 /nfs/dbraw/zinc/26/20/49/1035262049.db2.gz COLGPHMHTMXMIR-UHFFFAOYSA-N 1 1 317.820 3.582 20 30 DHEDMO C=CC[N@H+](CCOC)C[C@@H](C)c1cccc(Br)c1 ZINC000483419441 1035267382 /nfs/dbraw/zinc/26/73/82/1035267382.db2.gz KSIDYAJOSBZUGL-CYBMUJFWSA-N 1 1 312.251 3.687 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1ccc(Cl)c(Br)c1 ZINC000483422473 1035267436 /nfs/dbraw/zinc/26/74/36/1035267436.db2.gz QVNMWNHMCOTFLT-UHFFFAOYSA-N 1 1 318.642 3.737 20 30 DHEDMO C#CC[N@H+](C[C@H](O)c1ccccc1)[C@H]1CCCc2ccccc21 ZINC001176452044 1035271787 /nfs/dbraw/zinc/27/17/87/1035271787.db2.gz IGNOFEFFPILKCS-SFTDATJTSA-N 1 1 305.421 3.733 20 30 DHEDMO COC[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccc(Cl)cc1 ZINC000902975387 1035275437 /nfs/dbraw/zinc/27/54/37/1035275437.db2.gz GHENTSASEOTIRV-YVEFUNNKSA-N 1 1 315.804 3.645 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000483530044 1035276123 /nfs/dbraw/zinc/27/61/23/1035276123.db2.gz JHBSVBFIININDG-LJQANCHMSA-N 1 1 319.404 3.646 20 30 DHEDMO C(#Cc1ccccc1)CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000483542143 1035277554 /nfs/dbraw/zinc/27/75/54/1035277554.db2.gz JHDUSDCEEUDDJY-UHFFFAOYSA-N 1 1 310.485 3.626 20 30 DHEDMO COc1ccc([C@H](CC(C)C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000903262655 1035295187 /nfs/dbraw/zinc/29/51/87/1035295187.db2.gz GDQNJYWABVUMIF-INIZCTEOSA-N 1 1 315.442 3.900 20 30 DHEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC001176665869 1035310486 /nfs/dbraw/zinc/31/04/86/1035310486.db2.gz ZOTLFIYRMMACQE-SWLSCSKDSA-N 1 1 312.866 3.727 20 30 DHEDMO C[C@H]1CCC[C@@H](CC[N@H+]2CCc3c(C#N)c(N)sc3C2)C1 ZINC001176777096 1035328339 /nfs/dbraw/zinc/32/83/39/1035328339.db2.gz HSHSWWUEIHYKFK-STQMWFEESA-N 1 1 303.475 3.776 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000161439519 1035331311 /nfs/dbraw/zinc/33/13/11/1035331311.db2.gz WSJVGBBGCQLXQQ-FQEVSTJZSA-N 1 1 324.399 3.531 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000161439519 1035331315 /nfs/dbraw/zinc/33/13/15/1035331315.db2.gz WSJVGBBGCQLXQQ-FQEVSTJZSA-N 1 1 324.399 3.531 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC001176816016 1035331541 /nfs/dbraw/zinc/33/15/41/1035331541.db2.gz ZKKKMSLHZAHFNL-CZUORRHYSA-N 1 1 306.837 3.510 20 30 DHEDMO C=CC[N@H+](CC(=O)NCc1ccc(F)cc1)CC1CCCCC1 ZINC000484489621 1035340734 /nfs/dbraw/zinc/34/07/34/1035340734.db2.gz NZXRJOKXMDMADB-UHFFFAOYSA-N 1 1 318.436 3.510 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](CNCc1ccc(Cl)cn1)C(C)C ZINC001177226955 1035358195 /nfs/dbraw/zinc/35/81/95/1035358195.db2.gz ZXVVDYVZIXBFNC-QGZVFWFLSA-N 1 1 307.869 3.523 20 30 DHEDMO C=CCN(C(=O)[C@H]1CCC[N@@H+]1Cc1ccco1)C1CCCCC1 ZINC001177618901 1035385304 /nfs/dbraw/zinc/38/53/04/1035385304.db2.gz KWKWIBQULFXHKQ-GOSISDBHSA-N 1 1 316.445 3.591 20 30 DHEDMO C=CCN(C(=O)[C@H]1CCC[N@H+]1Cc1ccco1)C1CCCCC1 ZINC001177618901 1035385305 /nfs/dbraw/zinc/38/53/05/1035385305.db2.gz KWKWIBQULFXHKQ-GOSISDBHSA-N 1 1 316.445 3.591 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2ccc3ccccc3n2)no1 ZINC000904550922 1035425352 /nfs/dbraw/zinc/42/53/52/1035425352.db2.gz HUICQZHZAXMKBG-HNNXBMFYSA-N 1 1 308.385 3.565 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc([C@H](C)c2cccc(OC)c2)no1 ZINC000904581757 1035426894 /nfs/dbraw/zinc/42/68/94/1035426894.db2.gz HFZKPAQLGNIWKP-DOMZBBRYSA-N 1 1 301.390 3.586 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(OC(C)C)cc2)no1 ZINC000904567757 1035430390 /nfs/dbraw/zinc/43/03/90/1035430390.db2.gz MWYKPDUAQVNISW-HNNXBMFYSA-N 1 1 301.390 3.880 20 30 DHEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2ncc(C)cn2)no1 ZINC000904618170 1035432609 /nfs/dbraw/zinc/43/26/09/1035432609.db2.gz PZEPEEJFJARMRF-ZDUSSCGKSA-N 1 1 303.410 3.585 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2OC)no1 ZINC000904699881 1035445348 /nfs/dbraw/zinc/44/53/48/1035445348.db2.gz MAEFWOKWBUQOHC-LBPRGKRZSA-N 1 1 307.781 3.755 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(C2(c3cccc(OC)c3)CC2)no1 ZINC000904716238 1035446800 /nfs/dbraw/zinc/44/68/00/1035446800.db2.gz HMUKRBXFTJTDNR-OAHLLOKOSA-N 1 1 313.401 3.514 20 30 DHEDMO C=CC[N@H+](CCS(=O)(=O)c1ccccc1)CC1CCCCC1 ZINC000485011355 1035452925 /nfs/dbraw/zinc/45/29/25/1035452925.db2.gz XQXKJWSMUVRKRO-UHFFFAOYSA-N 1 1 321.486 3.529 20 30 DHEDMO C=CC[N@@H+](CCS(=O)(=O)c1ccccc1)CC1CCCCC1 ZINC000485011355 1035452928 /nfs/dbraw/zinc/45/29/28/1035452928.db2.gz XQXKJWSMUVRKRO-UHFFFAOYSA-N 1 1 321.486 3.529 20 30 DHEDMO C=C1CC[NH+](Cc2c[nH]c(C(=O)OCc3ccccc3)c2)CC1 ZINC001180006722 1035565602 /nfs/dbraw/zinc/56/56/02/1035565602.db2.gz KGNCXNYIOOKCRA-UHFFFAOYSA-N 1 1 310.397 3.524 20 30 DHEDMO C=CC[N@@H+](C[C@H](O)c1ccc(F)c(Br)c1)C(C)C ZINC000775573175 1035567174 /nfs/dbraw/zinc/56/71/74/1035567174.db2.gz WZUKUCHDTZYFKQ-AWEZNQCLSA-N 1 1 316.214 3.518 20 30 DHEDMO C[C@@H]1CCOCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000775571793 1035567736 /nfs/dbraw/zinc/56/77/36/1035567736.db2.gz IOZJZCGNJAFWSO-MRXNPFEDSA-N 1 1 306.409 3.836 20 30 DHEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(Cl)cc(Br)c1 ZINC001193363617 1035619093 /nfs/dbraw/zinc/61/90/93/1035619093.db2.gz HYRDJWYLKCOUOY-UHFFFAOYSA-N 1 1 300.627 3.946 20 30 DHEDMO CC[N@@H+](Cc1csc(C#N)c1)[C@@H](COC)Cc1ccccc1 ZINC001180219718 1035624093 /nfs/dbraw/zinc/62/40/93/1035624093.db2.gz UESOGVHQWANNJK-QGZVFWFLSA-N 1 1 314.454 3.699 20 30 DHEDMO C#CC[N@@H+](Cc1ccnn1CC(C)C)[C@H]1CCc2ccccc21 ZINC001180297510 1035650835 /nfs/dbraw/zinc/65/08/35/1035650835.db2.gz ZRNUMTVYCFEXRE-FQEVSTJZSA-N 1 1 307.441 3.662 20 30 DHEDMO C#CC[N@H+](Cc1ccnn1CC(C)C)[C@H]1CCc2ccccc21 ZINC001180297510 1035650843 /nfs/dbraw/zinc/65/08/43/1035650843.db2.gz ZRNUMTVYCFEXRE-FQEVSTJZSA-N 1 1 307.441 3.662 20 30 DHEDMO CCS[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000442888158 1035695180 /nfs/dbraw/zinc/69/51/80/1035695180.db2.gz FGUKNVAPIDGHFZ-MRXNPFEDSA-N 1 1 304.459 3.674 20 30 DHEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1cc2ccccc2cc1C#N ZINC000905918378 1035700117 /nfs/dbraw/zinc/70/01/17/1035700117.db2.gz YFBVCGZCYAAQMZ-SFHVURJKSA-N 1 1 307.397 3.523 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000929827542 1035760023 /nfs/dbraw/zinc/76/00/23/1035760023.db2.gz CWBYDQOYUXKSFF-SFHVURJKSA-N 1 1 312.438 3.810 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000929827542 1035760033 /nfs/dbraw/zinc/76/00/33/1035760033.db2.gz CWBYDQOYUXKSFF-SFHVURJKSA-N 1 1 312.438 3.810 20 30 DHEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000494693087 1035773729 /nfs/dbraw/zinc/77/37/29/1035773729.db2.gz ZLLMLSUOMQJWEW-HNNXBMFYSA-N 1 1 310.397 3.924 20 30 DHEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000494693087 1035773732 /nfs/dbraw/zinc/77/37/32/1035773732.db2.gz ZLLMLSUOMQJWEW-HNNXBMFYSA-N 1 1 310.397 3.924 20 30 DHEDMO COCC[N@@H+](Cc1c(C)cc(C#N)cc1C)[C@@H]1CC[C@@H](C)C1 ZINC001193977809 1035785051 /nfs/dbraw/zinc/78/50/51/1035785051.db2.gz WTVBYZYQCCUCLC-RDTXWAMCSA-N 1 1 300.446 3.812 20 30 DHEDMO CCCCCCC[C@H](C)C(=O)N1C[C@@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001181120010 1035840716 /nfs/dbraw/zinc/84/07/16/1035840716.db2.gz DKQIKSIHPXPCEC-OKZBNKHCSA-N 1 1 308.510 3.783 20 30 DHEDMO CCCCCCC[C@@H](C)C(=O)NC1CC[NH+](CCF)CC1 ZINC001181133245 1035846027 /nfs/dbraw/zinc/84/60/27/1035846027.db2.gz QKUUDYXKKSUVDY-OAHLLOKOSA-N 1 1 300.462 3.533 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](C)COCc1ccccc1 ZINC001194163503 1035856435 /nfs/dbraw/zinc/85/64/35/1035856435.db2.gz HWCLIKYDJBTFIM-IBGZPJMESA-N 1 1 307.437 3.975 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000539817764 1035874006 /nfs/dbraw/zinc/87/40/06/1035874006.db2.gz NERVYZOYRKVPIA-AEFFLSMTSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000539817764 1035874014 /nfs/dbraw/zinc/87/40/14/1035874014.db2.gz NERVYZOYRKVPIA-AEFFLSMTSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCN(CC)[C@H](C)C2)cc1 ZINC000539817764 1035874021 /nfs/dbraw/zinc/87/40/21/1035874021.db2.gz NERVYZOYRKVPIA-AEFFLSMTSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(CC)[C@H](C)C2)cc1 ZINC000539817764 1035874031 /nfs/dbraw/zinc/87/40/31/1035874031.db2.gz NERVYZOYRKVPIA-AEFFLSMTSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000539817766 1035875958 /nfs/dbraw/zinc/87/59/58/1035875958.db2.gz NERVYZOYRKVPIA-SJLPKXTDSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000539817766 1035875979 /nfs/dbraw/zinc/87/59/79/1035875979.db2.gz NERVYZOYRKVPIA-SJLPKXTDSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)cc1 ZINC000539817766 1035875994 /nfs/dbraw/zinc/87/59/94/1035875994.db2.gz NERVYZOYRKVPIA-SJLPKXTDSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)cc1 ZINC000539817766 1035876012 /nfs/dbraw/zinc/87/60/12/1035876012.db2.gz NERVYZOYRKVPIA-SJLPKXTDSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)CCc2ccccc2OC)cc1 ZINC001204300203 1035937927 /nfs/dbraw/zinc/93/79/27/1035937927.db2.gz MYHMFIXRFBHHHB-UHFFFAOYSA-N 1 1 311.425 3.935 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC001204303394 1035957380 /nfs/dbraw/zinc/95/73/80/1035957380.db2.gz GMOLYRTXHWKPOF-UHFFFAOYSA-N 1 1 301.430 3.787 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(C)cc1O)c1ccc(Cl)cc1F ZINC001181698640 1035975859 /nfs/dbraw/zinc/97/58/59/1035975859.db2.gz UQOCBKPXRVEUQH-MRXNPFEDSA-N 1 1 303.764 3.957 20 30 DHEDMO NC(CCCc1ccccc1)=[NH+]OCc1csc(C2CC2)n1 ZINC000153190282 1035984368 /nfs/dbraw/zinc/98/43/68/1035984368.db2.gz QCPMVCXSUZOBAP-UHFFFAOYSA-N 1 1 315.442 3.832 20 30 DHEDMO CCCCCCCCOC(=O)NCC[NH+]1CCC(F)(F)CC1 ZINC001194752060 1036005470 /nfs/dbraw/zinc/00/54/70/1036005470.db2.gz CKBGMNXHPMCINM-UHFFFAOYSA-N 1 1 320.424 3.804 20 30 DHEDMO C=CC[C@@H](NC(=O)CC[N@H+](C)CCCCC)c1ccccc1 ZINC001181868396 1036022267 /nfs/dbraw/zinc/02/22/67/1036022267.db2.gz IKCMULNEHVJZPM-GOSISDBHSA-N 1 1 302.462 3.932 20 30 DHEDMO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)cc1[N+](=O)[O-] ZINC000540476219 1036075922 /nfs/dbraw/zinc/07/59/22/1036075922.db2.gz ZXTGSJWUDHCEGG-GFCCVEGCSA-N 1 1 313.332 3.765 20 30 DHEDMO C[C@H](CCc1ccccc1)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761757252 1036087978 /nfs/dbraw/zinc/08/79/78/1036087978.db2.gz QGHCJFJXNCAZQH-UTKZUKDTSA-N 1 1 320.436 3.953 20 30 DHEDMO Cc1cc(C)cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000761759550 1036090556 /nfs/dbraw/zinc/09/05/56/1036090556.db2.gz YSZWNUIBVJQIEC-FQEVSTJZSA-N 1 1 306.409 3.749 20 30 DHEDMO Cc1cc(C)cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000761759550 1036090571 /nfs/dbraw/zinc/09/05/71/1036090571.db2.gz YSZWNUIBVJQIEC-FQEVSTJZSA-N 1 1 306.409 3.749 20 30 DHEDMO C[C@@H]([NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000540706898 1036132934 /nfs/dbraw/zinc/13/29/34/1036132934.db2.gz JKGUYEDBTQUBEO-SPYBWZPUSA-N 1 1 317.452 3.858 20 30 DHEDMO C[C@@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000540708418 1036135289 /nfs/dbraw/zinc/13/52/89/1036135289.db2.gz SBFCCCXBBVVVJZ-CXAGYDPISA-N 1 1 305.441 3.714 20 30 DHEDMO C[C@@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000540708418 1036135298 /nfs/dbraw/zinc/13/52/98/1036135298.db2.gz SBFCCCXBBVVVJZ-CXAGYDPISA-N 1 1 305.441 3.714 20 30 DHEDMO C=CCCCNC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001182246224 1036145869 /nfs/dbraw/zinc/14/58/69/1036145869.db2.gz SGTXDEYRVYHQNN-FQEVSTJZSA-N 1 1 322.452 3.942 20 30 DHEDMO C=CCCCNC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001182246224 1036145877 /nfs/dbraw/zinc/14/58/77/1036145877.db2.gz SGTXDEYRVYHQNN-FQEVSTJZSA-N 1 1 322.452 3.942 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1cn(C)nc1-c1cccs1 ZINC000775643376 1036164289 /nfs/dbraw/zinc/16/42/89/1036164289.db2.gz PCYQMGIISCCRHD-UHFFFAOYSA-N 1 1 302.447 3.520 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1cn(C)nc1-c1cccs1 ZINC000775643376 1036164300 /nfs/dbraw/zinc/16/43/00/1036164300.db2.gz PCYQMGIISCCRHD-UHFFFAOYSA-N 1 1 302.447 3.520 20 30 DHEDMO C=CCC[C@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000495010574 1036182970 /nfs/dbraw/zinc/18/29/70/1036182970.db2.gz XRXGCQSQXUEMRC-MJGOQNOKSA-N 1 1 314.473 3.585 20 30 DHEDMO C=CCC[C@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000495010112 1036182992 /nfs/dbraw/zinc/18/29/92/1036182992.db2.gz WIHWSZOSCRAVIG-HKUYNNGSSA-N 1 1 314.473 3.727 20 30 DHEDMO C#C[C@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)[C@@H]1CCCO1 ZINC000774364867 1036300962 /nfs/dbraw/zinc/30/09/62/1036300962.db2.gz SZXICWRTLKNUPE-FGEZKYSXSA-N 1 1 314.212 3.530 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(Cl)c(Cl)cc1O ZINC000774372194 1036302569 /nfs/dbraw/zinc/30/25/69/1036302569.db2.gz WFYMDEKWSZDTQY-VIFPVBQESA-N 1 1 322.195 3.816 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn2cccc(F)c2n1 ZINC001182500514 1036366074 /nfs/dbraw/zinc/36/60/74/1036366074.db2.gz VMUCMRIOGDSFLB-CYBMUJFWSA-N 1 1 308.360 3.538 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn2cccc(F)c2n1 ZINC001182500514 1036366095 /nfs/dbraw/zinc/36/60/95/1036366095.db2.gz VMUCMRIOGDSFLB-CYBMUJFWSA-N 1 1 308.360 3.538 20 30 DHEDMO CCCCCCCC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000149605662 1036418673 /nfs/dbraw/zinc/41/86/73/1036418673.db2.gz YHFMIAMNYRRYHC-UHFFFAOYSA-N 1 1 316.489 3.734 20 30 DHEDMO C=CC[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)[C@H](C)COC ZINC001196047723 1036428251 /nfs/dbraw/zinc/42/82/51/1036428251.db2.gz CHQJUGANIAHRQA-IAQYHMDHSA-N 1 1 318.244 3.550 20 30 DHEDMO CC#CCCCCCCCC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001182771469 1036454693 /nfs/dbraw/zinc/45/46/93/1036454693.db2.gz AHXJVLIJSMFSPA-RTBURBONSA-N 1 1 320.521 3.975 20 30 DHEDMO N#Cc1cccc([C@@H](O)C[N@H+](Cc2ccccc2F)CC2CC2)c1 ZINC001196238841 1036489679 /nfs/dbraw/zinc/48/96/79/1036489679.db2.gz WBACZLPUKNUFOH-FQEVSTJZSA-N 1 1 324.399 3.643 20 30 DHEDMO N#Cc1ccccc1NC(=O)CC[N@@H+](C1CC1)C1CCCCC1 ZINC000609144568 1036496458 /nfs/dbraw/zinc/49/64/58/1036496458.db2.gz SOAQJCJTPIHVPZ-UHFFFAOYSA-N 1 1 311.429 3.684 20 30 DHEDMO N#Cc1c(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)cn2ccccc12 ZINC000609144472 1036500069 /nfs/dbraw/zinc/50/00/69/1036500069.db2.gz VNGNFVQBAIDYAX-IBGZPJMESA-N 1 1 317.392 3.854 20 30 DHEDMO N#Cc1c(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cn2ccccc12 ZINC000609144472 1036500073 /nfs/dbraw/zinc/50/00/73/1036500073.db2.gz VNGNFVQBAIDYAX-IBGZPJMESA-N 1 1 317.392 3.854 20 30 DHEDMO Cn1cnc2cc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)ccc21 ZINC000271722426 1036500558 /nfs/dbraw/zinc/50/05/58/1036500558.db2.gz KLXQRCQBGWGSLY-UHFFFAOYSA-N 1 1 316.408 3.610 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1CO ZINC001196358136 1036513043 /nfs/dbraw/zinc/51/30/43/1036513043.db2.gz RYDDQLBXDTVMLA-UZLBHIALSA-N 1 1 320.436 3.676 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC1(C)C ZINC001196468070 1036539564 /nfs/dbraw/zinc/53/95/64/1036539564.db2.gz CIFUDWDQWAGUBE-HUUCEWRRSA-N 1 1 320.502 3.629 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC1(C)C ZINC001196468063 1036539775 /nfs/dbraw/zinc/53/97/75/1036539775.db2.gz CIFUDWDQWAGUBE-CABCVRRESA-N 1 1 320.502 3.629 20 30 DHEDMO Clc1cccc(C#CC[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC001196480597 1036543326 /nfs/dbraw/zinc/54/33/26/1036543326.db2.gz WSECFMGZBRJFEV-KDURUIRLSA-N 1 1 315.844 3.584 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(OCOCC)cc1)c1ccc(F)cc1 ZINC000491769485 1036633898 /nfs/dbraw/zinc/63/38/98/1036633898.db2.gz MMQDLNQDNDMKAU-LJQANCHMSA-N 1 1 313.372 3.663 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(N(C)C(C)C)nc1)c1ccc(F)cc1 ZINC000491780295 1036642657 /nfs/dbraw/zinc/64/26/57/1036642657.db2.gz KDAZGBLKNHWQNA-SFHVURJKSA-N 1 1 311.404 3.529 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc([Si](C)(C)C)cc1 ZINC001197114868 1036690849 /nfs/dbraw/zinc/69/08/49/1036690849.db2.gz IRXFZMIBDPIMSN-UHFFFAOYSA-N 1 1 322.528 3.778 20 30 DHEDMO CCc1cccc(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 ZINC001183930395 1036701584 /nfs/dbraw/zinc/70/15/84/1036701584.db2.gz RBMYLCWWEDZVQX-LJQANCHMSA-N 1 1 320.440 3.592 20 30 DHEDMO C=CCCC[N@H+](CC)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001184189749 1036756230 /nfs/dbraw/zinc/75/62/30/1036756230.db2.gz ZKXPKVQRZIKBBC-SFHVURJKSA-N 1 1 310.482 3.922 20 30 DHEDMO C=C(CC)C[N@H+]1CCN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001197395383 1036762964 /nfs/dbraw/zinc/76/29/64/1036762964.db2.gz YAHHTLGTCCURBC-UHFFFAOYSA-N 1 1 308.466 3.818 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000492265905 1036811386 /nfs/dbraw/zinc/81/13/86/1036811386.db2.gz LTGMJMKLPJHWKW-CVEARBPZSA-N 1 1 320.864 3.804 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000492265905 1036811405 /nfs/dbraw/zinc/81/14/05/1036811405.db2.gz LTGMJMKLPJHWKW-CVEARBPZSA-N 1 1 320.864 3.804 20 30 DHEDMO Cc1cc(CN2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1C#N ZINC000488217466 1036901700 /nfs/dbraw/zinc/90/17/00/1036901700.db2.gz JNLPUTLDFBNQML-FUHIMQAGSA-N 1 1 311.473 3.704 20 30 DHEDMO N#Cc1cc(Cl)ccc1CO[NH+]=C(N)CCc1ccccc1 ZINC000774760894 1036906443 /nfs/dbraw/zinc/90/64/43/1036906443.db2.gz ZXONKBUGTBTZAX-UHFFFAOYSA-N 1 1 313.788 3.843 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](CCCc3cccc(F)c3)CCO2)c1 ZINC000492626541 1036947661 /nfs/dbraw/zinc/94/76/61/1036947661.db2.gz ITNHJXFGRZXMPM-FQEVSTJZSA-N 1 1 324.399 3.703 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](CCCc3cccc(F)c3)CCO2)c1 ZINC000492626541 1036947675 /nfs/dbraw/zinc/94/76/75/1036947675.db2.gz ITNHJXFGRZXMPM-FQEVSTJZSA-N 1 1 324.399 3.703 20 30 DHEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(C#N)ccc1Br ZINC000492634502 1036950930 /nfs/dbraw/zinc/95/09/30/1036950930.db2.gz XGVIMUMRFCUTEM-SMDDNHRTSA-N 1 1 307.235 3.941 20 30 DHEDMO CCc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 ZINC001198218957 1036972853 /nfs/dbraw/zinc/97/28/53/1036972853.db2.gz LRKQBYQGLLWPNM-HXUWFJFHSA-N 1 1 306.409 3.694 20 30 DHEDMO CCc1ccc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 ZINC001198218957 1036972859 /nfs/dbraw/zinc/97/28/59/1036972859.db2.gz LRKQBYQGLLWPNM-HXUWFJFHSA-N 1 1 306.409 3.694 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCCSC[C@@H]2C2CC2)c1 ZINC001198279164 1036989049 /nfs/dbraw/zinc/98/90/49/1036989049.db2.gz PHBDDMKBSDIEFA-MRXNPFEDSA-N 1 1 306.862 3.929 20 30 DHEDMO C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1ccc(C#N)cc1 ZINC001203900076 1036989396 /nfs/dbraw/zinc/98/93/96/1036989396.db2.gz AMGJBWMJEDMFHJ-UHFFFAOYSA-N 1 1 319.330 3.647 20 30 DHEDMO Cc1cc(C[NH2+]Cc2csc(-c3ccco3)n2)ccc1C#N ZINC000444001855 1036998253 /nfs/dbraw/zinc/99/82/53/1036998253.db2.gz LPQMXQXCBQHWLC-UHFFFAOYSA-N 1 1 309.394 3.873 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000488420846 1037005974 /nfs/dbraw/zinc/00/59/74/1037005974.db2.gz JHFCDRIABKGKME-IPMKNSEASA-N 1 1 312.457 3.892 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000488609111 1037092218 /nfs/dbraw/zinc/09/22/18/1037092218.db2.gz HTHNNALZHSZKQZ-QGZVFWFLSA-N 1 1 302.462 3.710 20 30 DHEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000175144653 1037093234 /nfs/dbraw/zinc/09/32/34/1037093234.db2.gz AHPMSPIGKWPLQF-IBGZPJMESA-N 1 1 309.413 3.503 20 30 DHEDMO C[C@@H]1CN(c2ccc(Cl)cc2C#N)CC[N@H+](C2CCC2)C1 ZINC000488778999 1037136364 /nfs/dbraw/zinc/13/63/64/1037136364.db2.gz DUTXWJNIBPRFCV-ZDUSSCGKSA-N 1 1 303.837 3.522 20 30 DHEDMO CCN(C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1)CC(F)(F)F ZINC000176404547 1037138806 /nfs/dbraw/zinc/13/88/06/1037138806.db2.gz XJWUTZMBGOEJBN-CQSZACIVSA-N 1 1 319.415 3.522 20 30 DHEDMO N#CC1(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000775971731 1037274220 /nfs/dbraw/zinc/27/42/20/1037274220.db2.gz FBLWYQRVFBOZIP-GJZGRUSLSA-N 1 1 304.459 3.720 20 30 DHEDMO C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2-c2ccc(C#N)cc2)C1 ZINC001186362931 1037375835 /nfs/dbraw/zinc/37/58/35/1037375835.db2.gz WZUVJGZOCZDWRM-KRWDZBQOSA-N 1 1 319.408 3.506 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000489393442 1037402478 /nfs/dbraw/zinc/40/24/78/1037402478.db2.gz BICJYDDKZFEFHZ-OAHLLOKOSA-N 1 1 303.356 3.691 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000489393442 1037402486 /nfs/dbraw/zinc/40/24/86/1037402486.db2.gz BICJYDDKZFEFHZ-OAHLLOKOSA-N 1 1 303.356 3.691 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000489428966 1037428938 /nfs/dbraw/zinc/42/89/38/1037428938.db2.gz FRTJOOGOALFMMZ-ZTFGCOKTSA-N 1 1 323.864 3.819 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000489428961 1037429304 /nfs/dbraw/zinc/42/93/04/1037429304.db2.gz FRTJOOGOALFMMZ-OLMNPRSZSA-N 1 1 323.864 3.819 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@H](C)c1ccccc1Cl ZINC000489438204 1037430146 /nfs/dbraw/zinc/43/01/46/1037430146.db2.gz PADICFXFAZHPNM-KGLIPLIRSA-N 1 1 306.837 3.558 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@H](C)c1ccccc1Cl ZINC000489438204 1037430162 /nfs/dbraw/zinc/43/01/62/1037430162.db2.gz PADICFXFAZHPNM-KGLIPLIRSA-N 1 1 306.837 3.558 20 30 DHEDMO CCCC(N)=[NH+]OCc1cccc(C(=O)Nc2ccccc2)c1 ZINC000105605838 1037437083 /nfs/dbraw/zinc/43/70/83/1037437083.db2.gz RSGBVQUUOXERKN-UHFFFAOYSA-N 1 1 311.385 3.528 20 30 DHEDMO C[C@@H]1[C@H](Nc2cc(F)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC001186640098 1037462106 /nfs/dbraw/zinc/46/21/06/1037462106.db2.gz XEPQWUUQJNXVTG-RDTXWAMCSA-N 1 1 309.388 3.772 20 30 DHEDMO C=CCC[C@@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)c1ccccc1 ZINC000489582320 1037485192 /nfs/dbraw/zinc/48/51/92/1037485192.db2.gz GSRVREDFHZNRAI-QGZVFWFLSA-N 1 1 309.413 3.836 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000150877439 1037512493 /nfs/dbraw/zinc/51/24/93/1037512493.db2.gz JOPPZUUURURNCI-IKGGRYGDSA-N 1 1 323.502 3.743 20 30 DHEDMO C=CCCC(=O)OC[C@@]1(F)CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000763264204 1037542874 /nfs/dbraw/zinc/54/28/74/1037542874.db2.gz FNXLOOWKCRCUMW-CRAIPNDOSA-N 1 1 305.393 3.671 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC#Cc1ccccc1 ZINC000398000480 1037576724 /nfs/dbraw/zinc/57/67/24/1037576724.db2.gz VRNDYRULILXLTR-KNQAVFIVSA-N 1 1 318.464 3.538 20 30 DHEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000398000480 1037576734 /nfs/dbraw/zinc/57/67/34/1037576734.db2.gz VRNDYRULILXLTR-KNQAVFIVSA-N 1 1 318.464 3.538 20 30 DHEDMO C=CCOc1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)c1 ZINC000490056490 1037596447 /nfs/dbraw/zinc/59/64/47/1037596447.db2.gz DIUKEVMVQNGOAA-IBGZPJMESA-N 1 1 324.424 3.883 20 30 DHEDMO C=CCOc1cccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)c1 ZINC000490056490 1037596462 /nfs/dbraw/zinc/59/64/62/1037596462.db2.gz DIUKEVMVQNGOAA-IBGZPJMESA-N 1 1 324.424 3.883 20 30 DHEDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCCC(C)(C)C#N ZINC000493949276 1037604292 /nfs/dbraw/zinc/60/42/92/1037604292.db2.gz OXUWTGLBAKJCLZ-CABCVRRESA-N 1 1 323.481 3.551 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](C/C(Br)=C/c2ccccc2)C1 ZINC001201460578 1037686820 /nfs/dbraw/zinc/68/68/20/1037686820.db2.gz RTGXKBSPOOQSHB-HNDQUVLASA-N 1 1 304.231 3.768 20 30 DHEDMO C#C[C@H]1CCC[N@H+](C/C(Br)=C/c2ccccc2)C1 ZINC001201460578 1037686828 /nfs/dbraw/zinc/68/68/28/1037686828.db2.gz RTGXKBSPOOQSHB-HNDQUVLASA-N 1 1 304.231 3.768 20 30 DHEDMO CCCCCCCCCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000916193921 1037708898 /nfs/dbraw/zinc/70/88/98/1037708898.db2.gz ABHJPXDALGCUHX-SJORKVTESA-N 1 1 309.498 3.663 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CC(CC)CC)[C@H]2CC ZINC001201526161 1037765813 /nfs/dbraw/zinc/76/58/13/1037765813.db2.gz RJWBMABHCJNJDY-HKUYNNGSSA-N 1 1 306.494 3.844 20 30 DHEDMO N#CCC[C@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1ccccc1 ZINC001201557888 1037777013 /nfs/dbraw/zinc/77/70/13/1037777013.db2.gz NJVQJCWKFAWAMF-INIZCTEOSA-N 1 1 307.353 3.668 20 30 DHEDMO CCC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC000763407985 1037825010 /nfs/dbraw/zinc/82/50/10/1037825010.db2.gz NFPZDGPUIKDCPE-RTWAWAEBSA-N 1 1 320.436 3.991 20 30 DHEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763413286 1037831203 /nfs/dbraw/zinc/83/12/03/1037831203.db2.gz JGVZEOUNXMRQGK-TYCQWZJGSA-N 1 1 320.436 3.545 20 30 DHEDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)NC1CCCCC1 ZINC000328683972 1037838318 /nfs/dbraw/zinc/83/83/18/1037838318.db2.gz WLMIGLBJGLUVKG-KSZLIROESA-N 1 1 322.493 3.681 20 30 DHEDMO C[C@H](C[NH+]1CCC(C#N)CC1)c1cccc(Br)c1 ZINC000123765860 1037864118 /nfs/dbraw/zinc/86/41/18/1037864118.db2.gz CUYILMDMVYUBES-GFCCVEGCSA-N 1 1 307.235 3.788 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@]2(C1)C(=O)NC[C@H]2c1ccccc1 ZINC001201762520 1037884709 /nfs/dbraw/zinc/88/47/09/1037884709.db2.gz NUBNFYQGCFXCCT-AZUAARDMSA-N 1 1 314.473 3.563 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2cnn(CC)c2[C@H](COCC)C1 ZINC001201762183 1037884786 /nfs/dbraw/zinc/88/47/86/1037884786.db2.gz ATPPNKATLCWXAJ-KRWDZBQOSA-N 1 1 307.482 3.809 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@](F)(CNC(=O)OC(C)(C)C)C1 ZINC001201797661 1037897323 /nfs/dbraw/zinc/89/73/23/1037897323.db2.gz BLWXWJOLZNLEGW-QGZVFWFLSA-N 1 1 316.461 3.896 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@H+](CCCCCCCC)C2)C1=O ZINC001201813579 1037900061 /nfs/dbraw/zinc/90/00/61/1037900061.db2.gz GODVUURFXPBHRA-LJQANCHMSA-N 1 1 306.494 3.847 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@H]2C[C@@H](c3nc(C)no3)O[C@@H]2C1 ZINC001201805005 1037900430 /nfs/dbraw/zinc/90/04/30/1037900430.db2.gz YDIUFSUTTOIOQD-YESZJQIVSA-N 1 1 321.465 3.890 20 30 DHEDMO CCCCCCCC[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001201814549 1037901404 /nfs/dbraw/zinc/90/14/04/1037901404.db2.gz PKTLMPWIRITNLR-KDURUIRLSA-N 1 1 315.505 3.806 20 30 DHEDMO CCCCCCC[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001201777283 1037905821 /nfs/dbraw/zinc/90/58/21/1037905821.db2.gz VDLDYWGOMIFOCL-WOJBJXKFSA-N 1 1 315.505 3.806 20 30 DHEDMO CCCCCCCCC[N@@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001201839770 1037917039 /nfs/dbraw/zinc/91/70/39/1037917039.db2.gz RKVWXWFQKMRBPT-QGZVFWFLSA-N 1 1 322.497 3.594 20 30 DHEDMO CCCCCCCCC[N@H+]1CCc2c(nnn2CC)[C@H]1COC ZINC001201839770 1037917046 /nfs/dbraw/zinc/91/70/46/1037917046.db2.gz RKVWXWFQKMRBPT-QGZVFWFLSA-N 1 1 322.497 3.594 20 30 DHEDMO CCCCCCCC[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC001201840281 1037918336 /nfs/dbraw/zinc/91/83/36/1037918336.db2.gz RVSJZFRLEQEMFG-UHFFFAOYSA-N 1 1 308.491 3.866 20 30 DHEDMO CCCCCCCC[N@H+]1CCc2ncc(C(=O)OC)cc2C1 ZINC001201839471 1037918681 /nfs/dbraw/zinc/91/86/81/1037918681.db2.gz FFDBEVPXGVIILJ-UHFFFAOYSA-N 1 1 304.434 3.587 20 30 DHEDMO Clc1cccc(C#CC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186700630 1037924588 /nfs/dbraw/zinc/92/45/88/1037924588.db2.gz DHQWFCPVEUVTPY-HXUWFJFHSA-N 1 1 323.823 3.823 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186700630 1037924600 /nfs/dbraw/zinc/92/46/00/1037924600.db2.gz DHQWFCPVEUVTPY-HXUWFJFHSA-N 1 1 323.823 3.823 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000775182508 1037931833 /nfs/dbraw/zinc/93/18/33/1037931833.db2.gz ATQHRUBHZHXCDW-VIFPVBQESA-N 1 1 318.161 3.504 20 30 DHEDMO N#Cc1cc(C[NH2+]Cc2ccsc2Br)cs1 ZINC001202142522 1038059589 /nfs/dbraw/zinc/05/95/89/1038059589.db2.gz IJWCFDLTIIDFOL-UHFFFAOYSA-N 1 1 313.245 3.734 20 30 DHEDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(C)(C)CCC#N ZINC000494362649 1038064166 /nfs/dbraw/zinc/06/41/66/1038064166.db2.gz ISWPLGLXZLJTFX-HUUCEWRRSA-N 1 1 323.481 3.551 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(CNc2cccc(Cl)c2C#N)cn1 ZINC000917093443 1038198090 /nfs/dbraw/zinc/19/80/90/1038198090.db2.gz RPMRAHDQSSMVOR-UHFFFAOYSA-N 1 1 323.787 3.713 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCO1 ZINC000775343756 1038258903 /nfs/dbraw/zinc/25/89/03/1038258903.db2.gz XWZNXJDXWFIDNI-ZIAGYGMSSA-N 1 1 317.738 3.629 20 30 DHEDMO COc1nc(C)cc(C)c1C[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000588199165 1038274685 /nfs/dbraw/zinc/27/46/85/1038274685.db2.gz BSGJJLHVVQZRES-OAHLLOKOSA-N 1 1 309.413 3.772 20 30 DHEDMO COc1nc(C)cc(C)c1C[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000588199165 1038274688 /nfs/dbraw/zinc/27/46/88/1038274688.db2.gz BSGJJLHVVQZRES-OAHLLOKOSA-N 1 1 309.413 3.772 20 30 DHEDMO C[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000588212293 1038275843 /nfs/dbraw/zinc/27/58/43/1038275843.db2.gz PXBBNYUOJHODCM-MOPGFXCFSA-N 1 1 321.424 3.631 20 30 DHEDMO C[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000588212296 1038277260 /nfs/dbraw/zinc/27/72/60/1038277260.db2.gz PXBBNYUOJHODCM-RTBURBONSA-N 1 1 321.424 3.631 20 30 DHEDMO C=C(C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)cc1 ZINC001190239181 1038282583 /nfs/dbraw/zinc/28/25/83/1038282583.db2.gz PAFJOIXSTLGJKN-VQIMIIECSA-N 1 1 314.473 3.654 20 30 DHEDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2ccc(C#N)s2)CC1 ZINC000571943251 1038282832 /nfs/dbraw/zinc/28/28/32/1038282832.db2.gz SGPBHIFUHFFBCO-UHFFFAOYSA-N 1 1 320.458 3.564 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CCCCCC#N)cc1 ZINC000588636382 1038315080 /nfs/dbraw/zinc/31/50/80/1038315080.db2.gz UMCVGMBUFBGOPR-HNNXBMFYSA-N 1 1 324.428 3.832 20 30 DHEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2cccc(C(F)F)c2C#N)C[C@@H](C)C1 ZINC000572016644 1038318867 /nfs/dbraw/zinc/31/88/67/1038318867.db2.gz XZHYIRNAWRPXAN-PBFPGSCMSA-N 1 1 319.399 3.662 20 30 DHEDMO C=CC[N@H+](CCCOC(F)(F)F)Cc1ccc(OC)cc1 ZINC001190457118 1038324106 /nfs/dbraw/zinc/32/41/06/1038324106.db2.gz IAMNCLQKQZYYTP-UHFFFAOYSA-N 1 1 303.324 3.610 20 30 DHEDMO C#CC[N@@H+](C[C@H]1CCC2(CCC2)CO1)[C@H]1CCc2ccccc21 ZINC001190526459 1038335139 /nfs/dbraw/zinc/33/51/39/1038335139.db2.gz AFCDRJOFCXOFLW-QUCCMNQESA-N 1 1 309.453 3.958 20 30 DHEDMO C#CC[C@H]([NH2+]Cc1ccn(-c2cccc(F)c2)n1)c1ccccc1 ZINC000775398709 1038352273 /nfs/dbraw/zinc/35/22/73/1038352273.db2.gz LCTSYDVPZXDGPC-FQEVSTJZSA-N 1 1 319.383 3.866 20 30 DHEDMO C=CCN(CCc1ccccc1)CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001190708778 1038366753 /nfs/dbraw/zinc/36/67/53/1038366753.db2.gz VRUBIJMHGLHLTF-KDURUIRLSA-N 1 1 300.490 3.695 20 30 DHEDMO N#CC[C@@H](O)C[N@@H+](Cc1cccc2ccccc21)C1CCCC1 ZINC001190809529 1038379936 /nfs/dbraw/zinc/37/99/36/1038379936.db2.gz LIYPMKSVCQPDAO-LJQANCHMSA-N 1 1 308.425 3.859 20 30 DHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@H](C4CCCC4)C3)o2)c1 ZINC000572472667 1038383012 /nfs/dbraw/zinc/38/30/12/1038383012.db2.gz UOHYUNOMJRUAND-KRWDZBQOSA-N 1 1 322.412 3.620 20 30 DHEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000588978179 1038414696 /nfs/dbraw/zinc/41/46/96/1038414696.db2.gz OHSOEDGQNBZJOL-AWEZNQCLSA-N 1 1 319.246 3.943 20 30 DHEDMO C=CC1CC[NH+](CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC001191013987 1038420118 /nfs/dbraw/zinc/42/01/18/1038420118.db2.gz VWFHKOWLTPPYDY-UHFFFAOYSA-N 1 1 313.228 3.830 20 30 DHEDMO CCCCCCCCNC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001191081209 1038435035 /nfs/dbraw/zinc/43/50/35/1038435035.db2.gz IYPUQKIJYCVNHC-IAGOWNOFSA-N 1 1 311.514 3.765 20 30 DHEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ncoc1-c1ccccc1)CC2 ZINC000589342020 1038461221 /nfs/dbraw/zinc/46/12/21/1038461221.db2.gz PWEIYCYKQQAACM-SFHVURJKSA-N 1 1 315.376 3.990 20 30 DHEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cncc(C#N)c2)C12CCCCC2 ZINC001191320706 1038489377 /nfs/dbraw/zinc/48/93/77/1038489377.db2.gz VUAIYONYSRAJAR-ROUUACIJSA-N 1 1 313.445 3.513 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1C)[C@H](COC)Cc1ccccc1 ZINC001191453032 1038499790 /nfs/dbraw/zinc/49/97/90/1038499790.db2.gz BQMMBGBKBXKIRF-NRFANRHFSA-N 1 1 322.452 3.946 20 30 DHEDMO CCC1(CC)[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C[C@@H]1OC ZINC001191741190 1038541575 /nfs/dbraw/zinc/54/15/75/1038541575.db2.gz IAKCWTBLTYKGEE-SJORKVTESA-N 1 1 304.409 3.723 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1 ZINC000589996758 1038562194 /nfs/dbraw/zinc/56/21/94/1038562194.db2.gz VJBJZJWJAGGQNS-WBVHZDCISA-N 1 1 304.384 3.965 20 30 DHEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001192185108 1038600519 /nfs/dbraw/zinc/60/05/19/1038600519.db2.gz WGPUZKQSGULKDK-CYBMUJFWSA-N 1 1 314.816 3.980 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOC[C@H]2CC2CCC2)cc1 ZINC000590209372 1038606360 /nfs/dbraw/zinc/60/63/60/1038606360.db2.gz LMDFLEUHZITDGM-LJQANCHMSA-N 1 1 312.457 3.879 20 30 DHEDMO CC[N@H+]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1C ZINC001192271846 1038617898 /nfs/dbraw/zinc/61/78/98/1038617898.db2.gz LIXFFXOGHIHEJW-KRWDZBQOSA-N 1 1 319.452 3.751 20 30 DHEDMO CCN1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1C ZINC001192271846 1038617901 /nfs/dbraw/zinc/61/79/01/1038617901.db2.gz LIXFFXOGHIHEJW-KRWDZBQOSA-N 1 1 319.452 3.751 20 30 DHEDMO CCN1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1C ZINC001192271846 1038617906 /nfs/dbraw/zinc/61/79/06/1038617906.db2.gz LIXFFXOGHIHEJW-KRWDZBQOSA-N 1 1 319.452 3.751 20 30 DHEDMO CC[C@H](C)Oc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1OC ZINC000590373265 1038632185 /nfs/dbraw/zinc/63/21/85/1038632185.db2.gz OTSDSWJEBFYMDQ-AWEZNQCLSA-N 1 1 304.434 3.854 20 30 DHEDMO CC[C@H](C)Oc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1OC ZINC000590373265 1038632191 /nfs/dbraw/zinc/63/21/91/1038632191.db2.gz OTSDSWJEBFYMDQ-AWEZNQCLSA-N 1 1 304.434 3.854 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC000590600930 1038675620 /nfs/dbraw/zinc/67/56/20/1038675620.db2.gz PRXKGZMWYJHKLV-GOSISDBHSA-N 1 1 321.424 3.602 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001192653155 1038686762 /nfs/dbraw/zinc/68/67/62/1038686762.db2.gz MJNAPTNXSXJTCG-LSDHHAIUSA-N 1 1 317.351 3.810 20 30 DHEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1(C)C ZINC000590757680 1038699620 /nfs/dbraw/zinc/69/96/20/1038699620.db2.gz ZUYQQKFRIKXFFT-QGZVFWFLSA-N 1 1 300.446 3.735 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3CCC4(CCC4)CO3)CC2)cc1 ZINC001192947271 1038717479 /nfs/dbraw/zinc/71/74/79/1038717479.db2.gz NMMKAFSHJKQNPS-FQEVSTJZSA-N 1 1 322.452 3.997 20 30 DHEDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000590971372 1038732727 /nfs/dbraw/zinc/73/27/27/1038732727.db2.gz XPXRQEXBXNIWMX-GOSISDBHSA-N 1 1 300.446 3.879 20 30 DHEDMO N#Cc1cc(C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)ccn1 ZINC000591049047 1038748105 /nfs/dbraw/zinc/74/81/05/1038748105.db2.gz PKFNLUDVVJRTDK-IBGZPJMESA-N 1 1 303.409 3.723 20 30 DHEDMO Cn1cc(C[NH2+]CC2(C#N)CCC2)c(-c2cc3ccccc3o2)n1 ZINC000591357735 1038837795 /nfs/dbraw/zinc/83/77/95/1038837795.db2.gz LBRFWWQVAHIVJB-UHFFFAOYSA-N 1 1 320.396 3.617 20 30 DHEDMO C[C@H](N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC000591571026 1038936991 /nfs/dbraw/zinc/93/69/91/1038936991.db2.gz WGUBYYWATICDBN-RYGJVYDSSA-N 1 1 305.425 3.702 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000573615480 1039005034 /nfs/dbraw/zinc/00/50/34/1039005034.db2.gz XFCBFGRCMSLUDP-AWEZNQCLSA-N 1 1 313.382 3.865 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000573615480 1039005048 /nfs/dbraw/zinc/00/50/48/1039005048.db2.gz XFCBFGRCMSLUDP-AWEZNQCLSA-N 1 1 313.382 3.865 20 30 DHEDMO C[C@H]([NH2+]Cc1ccncc1C#N)c1ccc(OC(F)(F)F)cc1 ZINC000592092954 1039119288 /nfs/dbraw/zinc/11/92/88/1039119288.db2.gz JWUBZTKDHGDVKS-NSHDSACASA-N 1 1 321.302 3.703 20 30 DHEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000592097227 1039119571 /nfs/dbraw/zinc/11/95/71/1039119571.db2.gz HMNMBTSRYOUISR-OAHLLOKOSA-N 1 1 309.388 3.862 20 30 DHEDMO CCCOc1ccc(C(C)(C)[NH2+]Cc2ccncc2C#N)cc1 ZINC000592120878 1039120461 /nfs/dbraw/zinc/12/04/61/1039120461.db2.gz HWPJEPTUJJBOMV-UHFFFAOYSA-N 1 1 309.413 3.767 20 30 DHEDMO C[C@]1(Cc2ccccc2F)CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000592143777 1039137587 /nfs/dbraw/zinc/13/75/87/1039137587.db2.gz NAOPZGSOAKHBEM-LJQANCHMSA-N 1 1 309.388 3.690 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000592146416 1039141550 /nfs/dbraw/zinc/14/15/50/1039141550.db2.gz PDQIKWNVYNMFEK-UHFFFAOYSA-N 1 1 321.424 3.683 20 30 DHEDMO COc1ccc(C[N@H+](Cc2ccc(C)nc2)CC2CC2)cc1C#N ZINC000592147067 1039142542 /nfs/dbraw/zinc/14/25/42/1039142542.db2.gz ZSFWJZWVQVUJDP-UHFFFAOYSA-N 1 1 321.424 3.683 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)(C)C ZINC000592179295 1039162848 /nfs/dbraw/zinc/16/28/48/1039162848.db2.gz MOBSZLDPONKAGK-UHFFFAOYSA-N 1 1 319.474 3.557 20 30 DHEDMO N#Cc1cccc(OCC[N@H+](Cc2ccccc2F)C2CC2)c1 ZINC000603837904 1039167350 /nfs/dbraw/zinc/16/73/50/1039167350.db2.gz GUPULKOAMNIPBW-UHFFFAOYSA-N 1 1 310.372 3.741 20 30 DHEDMO C[C@H]1CC2(C[N@H+]1Cc1ccc(C#N)cc1Cl)CCOCC2 ZINC000592183380 1039171643 /nfs/dbraw/zinc/17/16/43/1039171643.db2.gz IBEKZNAXHPRGDZ-ZDUSSCGKSA-N 1 1 304.821 3.603 20 30 DHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000592198244 1039181636 /nfs/dbraw/zinc/18/16/36/1039181636.db2.gz MLIKYMZIDVYNRB-GOSISDBHSA-N 1 1 311.429 3.541 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cc2n(n1)CCCC2 ZINC000592390485 1039186354 /nfs/dbraw/zinc/18/63/54/1039186354.db2.gz XFOABSMBCCEGLW-GFCCVEGCSA-N 1 1 314.820 3.595 20 30 DHEDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000603855308 1039188758 /nfs/dbraw/zinc/18/87/58/1039188758.db2.gz UPSDRAULLUTKQO-CYBMUJFWSA-N 1 1 316.351 3.908 20 30 DHEDMO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000599674806 1039254053 /nfs/dbraw/zinc/25/40/53/1039254053.db2.gz JJMAUFJDVMTRME-SJLPKXTDSA-N 1 1 320.436 3.818 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)cc1F ZINC000599679793 1039265087 /nfs/dbraw/zinc/26/50/87/1039265087.db2.gz PBMDXNFJHDZFDI-QGZVFWFLSA-N 1 1 310.372 3.695 20 30 DHEDMO Cc1cccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000058580349 1039292280 /nfs/dbraw/zinc/29/22/80/1039292280.db2.gz ONWHTXMCBMYDKN-UHFFFAOYSA-N 1 1 305.425 3.579 20 30 DHEDMO N#Cc1cnccc1CS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592354648 1039341646 /nfs/dbraw/zinc/34/16/46/1039341646.db2.gz RNFDVHVXMZMEOJ-IBGZPJMESA-N 1 1 323.465 3.851 20 30 DHEDMO C[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+]1CCOCCC#N ZINC000593049001 1039372208 /nfs/dbraw/zinc/37/22/08/1039372208.db2.gz KBIHAEKVJXZNHU-KRWDZBQOSA-N 1 1 306.837 3.667 20 30 DHEDMO N#Cc1cc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)ccc1F ZINC000593054218 1039376895 /nfs/dbraw/zinc/37/68/95/1039376895.db2.gz HKXOHFNXYIAJAW-UHFFFAOYSA-N 1 1 316.273 3.564 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[NH+]1CCCCCC1 ZINC000061744770 1039518727 /nfs/dbraw/zinc/51/87/27/1039518727.db2.gz AJURFNLQBGAVDT-UHFFFAOYSA-N 1 1 304.459 3.779 20 30 DHEDMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC1(C#N)CCCC1 ZINC000593650519 1039577070 /nfs/dbraw/zinc/57/70/70/1039577070.db2.gz SUXZDNRIOSHBOJ-UHFFFAOYSA-N 1 1 322.456 3.722 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(Br)cc2cccnc21 ZINC000594009033 1039680033 /nfs/dbraw/zinc/68/00/33/1039680033.db2.gz ZGJPQRGEWFKKNG-AWEZNQCLSA-N 1 1 318.218 3.779 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000574570855 1039751231 /nfs/dbraw/zinc/75/12/31/1039751231.db2.gz SPCWLTXMTGPGBI-QGZVFWFLSA-N 1 1 318.436 3.510 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000062364428 1039758741 /nfs/dbraw/zinc/75/87/41/1039758741.db2.gz ZWWBWMHKNVBAOW-HDICACEKSA-N 1 1 314.473 3.507 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000062364428 1039758765 /nfs/dbraw/zinc/75/87/65/1039758765.db2.gz ZWWBWMHKNVBAOW-HDICACEKSA-N 1 1 314.473 3.507 20 30 DHEDMO CC(C)(C#N)c1ccc(CNCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000594503725 1039804867 /nfs/dbraw/zinc/80/48/67/1039804867.db2.gz IOLAPUYYZIVHON-UHFFFAOYSA-N 1 1 313.489 3.699 20 30 DHEDMO N#CCC1(C[NH2+]Cc2oc3ccccc3c2Br)CC1 ZINC000594522313 1039830013 /nfs/dbraw/zinc/83/00/13/1039830013.db2.gz KRDOMYDZXULKOS-UHFFFAOYSA-N 1 1 319.202 3.979 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000606451514 1039893944 /nfs/dbraw/zinc/89/39/44/1039893944.db2.gz QJWJNYMYUXQXSA-SFHVURJKSA-N 1 1 322.383 3.792 20 30 DHEDMO CCc1ccc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cn3)C2)cc1 ZINC000593987393 1039898849 /nfs/dbraw/zinc/89/88/49/1039898849.db2.gz RQSFVCHLZWUEEY-IBGZPJMESA-N 1 1 305.425 3.895 20 30 DHEDMO C=C1CC[NH+](CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000594733829 1039902550 /nfs/dbraw/zinc/90/25/50/1039902550.db2.gz ATVGRSYOFLZGOK-QGZVFWFLSA-N 1 1 314.473 3.714 20 30 DHEDMO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000594920381 1039925687 /nfs/dbraw/zinc/92/56/87/1039925687.db2.gz FLNVKPRHGQJDCA-GOSISDBHSA-N 1 1 324.424 3.874 20 30 DHEDMO CC(C)([NH2+]Cc1nc2c(s1)CCCC2)c1cccc(C#N)c1 ZINC000594970555 1039945162 /nfs/dbraw/zinc/94/51/62/1039945162.db2.gz XULBGHYPKULNHR-UHFFFAOYSA-N 1 1 311.454 3.918 20 30 DHEDMO Cc1cc(Br)c(C[NH2+]Cc2ccc(C#N)o2)s1 ZINC000594977573 1039947975 /nfs/dbraw/zinc/94/79/75/1039947975.db2.gz LNZLKSWEWYZSDT-UHFFFAOYSA-N 1 1 311.204 3.574 20 30 DHEDMO C=CC(C)(C)CC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001127166149 1039952529 /nfs/dbraw/zinc/95/25/29/1039952529.db2.gz VCDIPXKYLWKBQS-IRXDYDNUSA-N 1 1 314.473 3.710 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(C(F)F)nc1 ZINC000595009778 1040020324 /nfs/dbraw/zinc/02/03/24/1040020324.db2.gz DONDJJZPNSTZFA-SNVBAGLBSA-N 1 1 305.303 3.881 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000606902282 1040030671 /nfs/dbraw/zinc/03/06/71/1040030671.db2.gz UZDYPCCILXCCAT-UHFFFAOYSA-N 1 1 307.438 3.589 20 30 DHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccnn1-c1ccccc1 ZINC000595090514 1040076467 /nfs/dbraw/zinc/07/64/67/1040076467.db2.gz GZAUUNGHFCNHIN-MRXNPFEDSA-N 1 1 308.429 3.997 20 30 DHEDMO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)nc(C)n1 ZINC000595296897 1040092879 /nfs/dbraw/zinc/09/28/79/1040092879.db2.gz NQAZQCUWRJGJHK-UHFFFAOYSA-N 1 1 308.429 3.623 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN([C@@H](C#N)c2ccccc2)C1 ZINC000595323784 1040107822 /nfs/dbraw/zinc/10/78/22/1040107822.db2.gz PHWOAELVPXBSQR-GGPKGHCWSA-N 1 1 311.473 3.838 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000595325433 1040109320 /nfs/dbraw/zinc/10/93/20/1040109320.db2.gz HVTKQSGVASZWDH-OAQYLSRUSA-N 1 1 320.436 3.639 20 30 DHEDMO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000575064421 1040124737 /nfs/dbraw/zinc/12/47/37/1040124737.db2.gz BVSAOSXWUHQCKJ-OAHLLOKOSA-N 1 1 320.502 3.549 20 30 DHEDMO C[C@H](C[N@H+](CCc1ccc(C#N)cc1)[C@@H](C)CO)c1ccccc1 ZINC000595497008 1040153365 /nfs/dbraw/zinc/15/33/65/1040153365.db2.gz LAIXVKVJWBJAGL-MSOLQXFVSA-N 1 1 322.452 3.587 20 30 DHEDMO CC(C)(C#N)CCCCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509905 1040158120 /nfs/dbraw/zinc/15/81/20/1040158120.db2.gz YPOXBOCOCQGTPV-UHFFFAOYSA-N 1 1 313.489 3.961 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@H](CC#N)C3)cc2)n1 ZINC000595619981 1040191837 /nfs/dbraw/zinc/19/18/37/1040191837.db2.gz IKZSAGPRGMXIFZ-QGZVFWFLSA-N 1 1 308.429 3.615 20 30 DHEDMO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595616725 1040193259 /nfs/dbraw/zinc/19/32/59/1040193259.db2.gz WCEKKWNXJRXHNR-ZDUSSCGKSA-N 1 1 301.415 3.837 20 30 DHEDMO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616725 1040193261 /nfs/dbraw/zinc/19/32/61/1040193261.db2.gz WCEKKWNXJRXHNR-ZDUSSCGKSA-N 1 1 301.415 3.837 20 30 DHEDMO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595619434 1040194686 /nfs/dbraw/zinc/19/46/86/1040194686.db2.gz BADQCWTZFWDFTR-CYBMUJFWSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595619434 1040194697 /nfs/dbraw/zinc/19/46/97/1040194697.db2.gz BADQCWTZFWDFTR-CYBMUJFWSA-N 1 1 307.235 3.883 20 30 DHEDMO CC(C)(C#N)CC[N@@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000595638788 1040198447 /nfs/dbraw/zinc/19/84/47/1040198447.db2.gz VPPJYRRGPAQHTC-QGZVFWFLSA-N 1 1 300.446 3.996 20 30 DHEDMO CC1(C)C[C@H]([N@@H+](Cc2ccccc2)Cc2ccnc(C#N)c2)CO1 ZINC000595636737 1040199143 /nfs/dbraw/zinc/19/91/43/1040199143.db2.gz IIOYEOWSSFIQPY-IBGZPJMESA-N 1 1 321.424 3.523 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000595613338 1040208434 /nfs/dbraw/zinc/20/84/34/1040208434.db2.gz BGLHHIGFYUOWMK-INIZCTEOSA-N 1 1 307.397 4.000 20 30 DHEDMO Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595615351 1040208603 /nfs/dbraw/zinc/20/86/03/1040208603.db2.gz QDHNQAHCFHUGSA-GJZGRUSLSA-N 1 1 310.401 3.732 20 30 DHEDMO Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595615351 1040208615 /nfs/dbraw/zinc/20/86/15/1040208615.db2.gz QDHNQAHCFHUGSA-GJZGRUSLSA-N 1 1 310.401 3.732 20 30 DHEDMO N#C[C@H]1CC[C@H]([N@H+]2CCc3nc(-c4ccccc4)sc3C2)C1 ZINC000595713139 1040225479 /nfs/dbraw/zinc/22/54/79/1040225479.db2.gz PKUZOBIUQHXFPM-ZFWWWQNUSA-N 1 1 309.438 3.860 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)cc1 ZINC000595716503 1040228455 /nfs/dbraw/zinc/22/84/55/1040228455.db2.gz ICVNKECGHFMIBJ-GOSISDBHSA-N 1 1 308.381 3.505 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)cc1 ZINC000595716503 1040228465 /nfs/dbraw/zinc/22/84/65/1040228465.db2.gz ICVNKECGHFMIBJ-GOSISDBHSA-N 1 1 308.381 3.505 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)c1 ZINC000595715524 1040229825 /nfs/dbraw/zinc/22/98/25/1040229825.db2.gz BLGNOVZGOUMOTI-SFHVURJKSA-N 1 1 308.381 3.505 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)c1 ZINC000595715524 1040229834 /nfs/dbraw/zinc/22/98/34/1040229834.db2.gz BLGNOVZGOUMOTI-SFHVURJKSA-N 1 1 308.381 3.505 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595747865 1040241231 /nfs/dbraw/zinc/24/12/31/1040241231.db2.gz NILKKMLXHTYQSS-TYCQWZJGSA-N 1 1 320.436 3.717 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CCF)C2)c(OC(F)F)c1 ZINC000595756669 1040242641 /nfs/dbraw/zinc/24/26/41/1040242641.db2.gz VNKKWAAKFUMINE-LBPRGKRZSA-N 1 1 312.335 3.731 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000595822429 1040247841 /nfs/dbraw/zinc/24/78/41/1040247841.db2.gz ULTODKNRLKNKBS-UHFFFAOYSA-N 1 1 324.468 3.879 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1OC(F)F ZINC000595845665 1040261619 /nfs/dbraw/zinc/26/16/19/1040261619.db2.gz SREMCZDOHPSGMB-GASCZTMLSA-N 1 1 304.340 3.843 20 30 DHEDMO CC[N@@H+](CCOc1ccccc1OC)Cc1ccc(C#N)s1 ZINC000595888975 1040268107 /nfs/dbraw/zinc/26/81/07/1040268107.db2.gz WQYRAUQRJCZREX-UHFFFAOYSA-N 1 1 316.426 3.529 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595908247 1040272658 /nfs/dbraw/zinc/27/26/58/1040272658.db2.gz GPVLIYKVNDCNRS-HDICACEKSA-N 1 1 316.832 3.604 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595908247 1040272673 /nfs/dbraw/zinc/27/26/73/1040272673.db2.gz GPVLIYKVNDCNRS-HDICACEKSA-N 1 1 316.832 3.604 20 30 DHEDMO Cc1ccc(C#N)nc1N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000596087504 1040303815 /nfs/dbraw/zinc/30/38/15/1040303815.db2.gz GBWNDPQPMBVMBC-YJBOKZPZSA-N 1 1 306.413 3.509 20 30 DHEDMO Cc1ccc(C#N)nc1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000596153989 1040320830 /nfs/dbraw/zinc/32/08/30/1040320830.db2.gz ZHYOZIMMWPHDKY-AEFFLSMTSA-N 1 1 320.440 3.727 20 30 DHEDMO C[C@@H](CC#N)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000596712259 1040547881 /nfs/dbraw/zinc/54/78/81/1040547881.db2.gz XPALDHMBRMTSIH-HNNXBMFYSA-N 1 1 313.445 3.939 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H](Cc4ccncc4)C3)cc2)CC1 ZINC000597081422 1040647981 /nfs/dbraw/zinc/64/79/81/1040647981.db2.gz HCUJHHYCJILLGI-LJQANCHMSA-N 1 1 317.436 3.701 20 30 DHEDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597087386 1040651119 /nfs/dbraw/zinc/65/11/19/1040651119.db2.gz AGTSEROYYXZSOD-KRWDZBQOSA-N 1 1 312.457 3.880 20 30 DHEDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597111962 1040654822 /nfs/dbraw/zinc/65/48/22/1040654822.db2.gz XBMSFCIRZGLDRD-HXUWFJFHSA-N 1 1 312.457 3.615 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)cc2)CC1 ZINC000597133468 1040661245 /nfs/dbraw/zinc/66/12/45/1040661245.db2.gz SQYFQCPWNYTORU-RTBURBONSA-N 1 1 322.452 3.775 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+](Cc3ccccn3)C3CC3)cc2)CC1 ZINC000597133308 1040662777 /nfs/dbraw/zinc/66/27/77/1040662777.db2.gz RDZKKAMPBANMPC-UHFFFAOYSA-N 1 1 303.409 3.801 20 30 DHEDMO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597126152 1040664770 /nfs/dbraw/zinc/66/47/70/1040664770.db2.gz NYUUEZRDRZZSLU-IBGZPJMESA-N 1 1 320.440 3.702 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000597173239 1040675128 /nfs/dbraw/zinc/67/51/28/1040675128.db2.gz HEHCIOBMWYKIIO-QGZVFWFLSA-N 1 1 321.424 3.786 20 30 DHEDMO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597175263 1040679384 /nfs/dbraw/zinc/67/93/84/1040679384.db2.gz XJUKEXADUWOENR-LJQANCHMSA-N 1 1 322.456 3.674 20 30 DHEDMO C=CCOc1ccccc1C[N@H+](Cc1ccccc1)C[C@H](C)O ZINC000534345679 1040814199 /nfs/dbraw/zinc/81/41/99/1040814199.db2.gz JWPXRIAGPROMPD-KRWDZBQOSA-N 1 1 311.425 3.634 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@H]1CCc3cc(F)ccc3C1)CC2 ZINC001168425816 1040833642 /nfs/dbraw/zinc/83/36/42/1040833642.db2.gz HUTSZTUEJNOCIL-FQEVSTJZSA-N 1 1 306.384 3.613 20 30 DHEDMO N#Cc1c(F)cccc1C[NH2+][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000602009156 1040849339 /nfs/dbraw/zinc/84/93/39/1040849339.db2.gz WMJLPDJQZZSJER-RBUKOAKNSA-N 1 1 310.372 3.707 20 30 DHEDMO N#Cc1c(F)cccc1C[NH2+][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000602009157 1040850091 /nfs/dbraw/zinc/85/00/91/1040850091.db2.gz WMJLPDJQZZSJER-RTBURBONSA-N 1 1 310.372 3.707 20 30 DHEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000602160050 1040897135 /nfs/dbraw/zinc/89/71/35/1040897135.db2.gz KTISKEHJDYJNHF-KRWDZBQOSA-N 1 1 324.428 3.558 20 30 DHEDMO C=CCC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000457087431 1041012601 /nfs/dbraw/zinc/01/26/01/1041012601.db2.gz JLSSPLKGQIYDNP-MOPGFXCFSA-N 1 1 314.473 3.678 20 30 DHEDMO COc1cccc(C[N@@H+](C[C@@H](C)CCC#N)C[C@@H]2CCCO2)c1 ZINC000602455221 1041029196 /nfs/dbraw/zinc/02/91/96/1041029196.db2.gz PLTHLUWSNDEOSF-LPHOPBHVSA-N 1 1 316.445 3.616 20 30 DHEDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)n2)cc1 ZINC000602434812 1041031194 /nfs/dbraw/zinc/03/11/94/1041031194.db2.gz FNHDHHWYQGPCMA-IBGZPJMESA-N 1 1 307.397 3.689 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)[C@@H](c1nccn1C)C1CC1 ZINC000602438492 1041031477 /nfs/dbraw/zinc/03/14/77/1041031477.db2.gz DHAVIBGSBRGOMJ-GOSISDBHSA-N 1 1 308.429 3.653 20 30 DHEDMO COc1cccc(C[N@H+](Cc2cccc(C#N)n2)CC(C)C)c1 ZINC000602445140 1041036605 /nfs/dbraw/zinc/03/66/05/1041036605.db2.gz REGASRZAUPQLIS-UHFFFAOYSA-N 1 1 309.413 3.620 20 30 DHEDMO CCC[N@@H+](Cc1cccc(C#N)n1)[C@H](C)c1ccccc1OC ZINC000602442498 1041037602 /nfs/dbraw/zinc/03/76/02/1041037602.db2.gz BUGLQMYECMUSST-OAHLLOKOSA-N 1 1 309.413 3.935 20 30 DHEDMO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@@H](C)CCC#N ZINC000602482976 1041052519 /nfs/dbraw/zinc/05/25/19/1041052519.db2.gz HRGOTEJMNFFTDI-RDJZCZTQSA-N 1 1 302.418 3.553 20 30 DHEDMO CC[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccccc1OC(F)F ZINC000602509808 1041077607 /nfs/dbraw/zinc/07/76/07/1041077607.db2.gz TVVKSOOSXDVPBS-OAHLLOKOSA-N 1 1 317.339 3.796 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC000929486125 1041103885 /nfs/dbraw/zinc/10/38/85/1041103885.db2.gz QYSDWDZSDHWQPF-JTTJXQCZSA-N 1 1 302.393 3.529 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC000929486125 1041103893 /nfs/dbraw/zinc/10/38/93/1041103893.db2.gz QYSDWDZSDHWQPF-JTTJXQCZSA-N 1 1 302.393 3.529 20 30 DHEDMO N#Cc1cccc(C[NH+]2CCC(c3cccc(F)c3F)CC2)n1 ZINC000602618055 1041119209 /nfs/dbraw/zinc/11/92/09/1041119209.db2.gz FMBOIVLVWRHZFA-UHFFFAOYSA-N 1 1 313.351 3.611 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000602649156 1041131562 /nfs/dbraw/zinc/13/15/62/1041131562.db2.gz HMNYXGJXJHRJHT-ZDUSSCGKSA-N 1 1 314.351 3.999 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)n1 ZINC000602658053 1041145569 /nfs/dbraw/zinc/14/55/69/1041145569.db2.gz HPOMVDAGHABTLZ-AWEZNQCLSA-N 1 1 309.335 3.508 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)n1 ZINC000602658053 1041145575 /nfs/dbraw/zinc/14/55/75/1041145575.db2.gz HPOMVDAGHABTLZ-AWEZNQCLSA-N 1 1 309.335 3.508 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000602688844 1041152694 /nfs/dbraw/zinc/15/26/94/1041152694.db2.gz AXMFZAMYJHMNBU-SWLSCSKDSA-N 1 1 322.250 3.921 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)n1 ZINC000602720207 1041175429 /nfs/dbraw/zinc/17/54/29/1041175429.db2.gz DRXGLTXIGGTLFE-AWEZNQCLSA-N 1 1 313.351 3.611 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccccc3F)CC2)s1 ZINC000602737034 1041190151 /nfs/dbraw/zinc/19/01/51/1041190151.db2.gz RZJIWDYRDHTZGL-UHFFFAOYSA-N 1 1 316.401 3.802 20 30 DHEDMO N#CCC1(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)CC1 ZINC000602786498 1041211851 /nfs/dbraw/zinc/21/18/51/1041211851.db2.gz GJGFKIDWHBZFOZ-UHFFFAOYSA-N 1 1 323.415 3.959 20 30 DHEDMO N#CCC1(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CC1 ZINC000602767468 1041212262 /nfs/dbraw/zinc/21/22/62/1041212262.db2.gz WHWGXAJVAMOVQW-KRWDZBQOSA-N 1 1 302.393 3.501 20 30 DHEDMO CCc1ccc(-c2noc([C@H](C)[NH2+]CC3(CC#N)CC3)n2)cc1 ZINC000602811024 1041239029 /nfs/dbraw/zinc/23/90/29/1041239029.db2.gz WFRIFSZXBALSQY-ZDUSSCGKSA-N 1 1 310.401 3.643 20 30 DHEDMO N#Cc1ccccc1NC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000602899469 1041298308 /nfs/dbraw/zinc/29/83/08/1041298308.db2.gz KKXJSIJKVMFGQJ-UHFFFAOYSA-N 1 1 322.412 3.500 20 30 DHEDMO Cc1ncc([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)s1 ZINC000602955290 1041327212 /nfs/dbraw/zinc/32/72/12/1041327212.db2.gz IWPYEDBTVCADGM-VIFPVBQESA-N 1 1 323.368 3.775 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1cccc2ccccc21)[C@@H]1CCC[C@H]1C#N ZINC000602979772 1041328796 /nfs/dbraw/zinc/32/87/96/1041328796.db2.gz HWFDTVPBKPIZIC-QFBILLFUSA-N 1 1 321.424 3.792 20 30 DHEDMO C[N@H+](Cc1ccc(OCc2ccncc2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602978105 1041330466 /nfs/dbraw/zinc/33/04/66/1041330466.db2.gz LQAASPWYOQMFCF-ICSRJNTNSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602978105 1041330479 /nfs/dbraw/zinc/33/04/79/1041330479.db2.gz LQAASPWYOQMFCF-ICSRJNTNSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@H+](Cc1ccc(OCc2ccncc2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602978106 1041331076 /nfs/dbraw/zinc/33/10/76/1041331076.db2.gz LQAASPWYOQMFCF-QUCCMNQESA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602978106 1041331085 /nfs/dbraw/zinc/33/10/85/1041331085.db2.gz LQAASPWYOQMFCF-QUCCMNQESA-N 1 1 321.424 3.785 20 30 DHEDMO COc1ccc(C[N@@H+](CCC(C)(C)C#N)[C@@H](C)CCCO)cc1 ZINC000602966382 1041332181 /nfs/dbraw/zinc/33/21/81/1041332181.db2.gz CDTCZJGIDKDUSZ-INIZCTEOSA-N 1 1 318.461 3.598 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000598587119 1041347543 /nfs/dbraw/zinc/34/75/43/1041347543.db2.gz NCNJTPHBPZIINH-CVEARBPZSA-N 1 1 306.837 3.778 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000598585461 1041348128 /nfs/dbraw/zinc/34/81/28/1041348128.db2.gz DMCITWXRDCWGSX-MRXNPFEDSA-N 1 1 306.837 3.605 20 30 DHEDMO CC(C)(C)C[N@H+](Cc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598588552 1041352496 /nfs/dbraw/zinc/35/24/96/1041352496.db2.gz CGVGDMDGXNROOV-KRWDZBQOSA-N 1 1 302.462 3.835 20 30 DHEDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598594242 1041354171 /nfs/dbraw/zinc/35/41/71/1041354171.db2.gz DWDLRMJIRLIJEZ-QYZOEREBSA-N 1 1 314.473 3.864 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000598598441 1041357354 /nfs/dbraw/zinc/35/73/54/1041357354.db2.gz FMDRSDNLUZVEFA-MOPGFXCFSA-N 1 1 314.473 3.774 20 30 DHEDMO CC[C@@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)CC[C@H]1c1ccccc1 ZINC000598597444 1041357551 /nfs/dbraw/zinc/35/75/51/1041357551.db2.gz XPWFJDASXIOLTI-BHIYHBOVSA-N 1 1 314.473 3.803 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000598598442 1041357948 /nfs/dbraw/zinc/35/79/48/1041357948.db2.gz FMDRSDNLUZVEFA-OALUTQOASA-N 1 1 314.473 3.774 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000598612561 1041358634 /nfs/dbraw/zinc/35/86/34/1041358634.db2.gz XGMVTVHCEIORCH-QGZVFWFLSA-N 1 1 318.848 3.730 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000598616255 1041362777 /nfs/dbraw/zinc/36/27/77/1041362777.db2.gz LFVLECJHHJPNQG-AZUAARDMSA-N 1 1 314.473 3.731 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)o1)Cc1cccc(OC(F)(F)F)c1 ZINC000092008852 193141723 /nfs/dbraw/zinc/14/17/23/193141723.db2.gz UTCZJCUQERCZDZ-UHFFFAOYSA-N 1 1 310.275 3.682 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)o1)Cc1cccc(OC(F)(F)F)c1 ZINC000092008852 193141724 /nfs/dbraw/zinc/14/17/24/193141724.db2.gz UTCZJCUQERCZDZ-UHFFFAOYSA-N 1 1 310.275 3.682 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)s1 ZINC000563821286 335029317 /nfs/dbraw/zinc/02/93/17/335029317.db2.gz QGVZLCLWBRPXOE-BBWFWOEESA-N 1 1 304.459 3.525 20 30 DHEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000192621619 335036816 /nfs/dbraw/zinc/03/68/16/335036816.db2.gz JDKSGVYBXPJGKG-MLGOLLRUSA-N 1 1 319.836 3.661 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2cc(OC)ncc2F)cc1 ZINC000287190958 335041623 /nfs/dbraw/zinc/04/16/23/335041623.db2.gz VVVUEZGLADZBLE-CYBMUJFWSA-N 1 1 316.376 3.645 20 30 DHEDMO CC(=O)Nc1ccn([C@@H]2CC[N@H+](C[C@@H]3CCCC[C@H]3C)C2)n1 ZINC000328628997 257263213 /nfs/dbraw/zinc/26/32/13/257263213.db2.gz OIMFXVRWMRDMOP-VNQPRFMTSA-N 1 1 304.438 3.564 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000285906019 131209204 /nfs/dbraw/zinc/20/92/04/131209204.db2.gz KPDVBGPNAUBMQO-NJYVYQBISA-N 1 1 318.420 3.563 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1SC ZINC000299342914 132099780 /nfs/dbraw/zinc/09/97/80/132099780.db2.gz VIMTXQRGMFPEFK-UHFFFAOYSA-N 1 1 312.438 3.921 20 30 DHEDMO COCc1cccc(OCC2(C[N@H+](C)[C@@H](C)CC#N)CCC2)c1 ZINC000343315443 335066847 /nfs/dbraw/zinc/06/68/47/335066847.db2.gz QGWQWGYXQCEGKH-INIZCTEOSA-N 1 1 316.445 3.616 20 30 DHEDMO COCc1cccc(OCC2(C[N@@H+](C)[C@@H](C)CC#N)CCC2)c1 ZINC000343315443 335066849 /nfs/dbraw/zinc/06/68/49/335066849.db2.gz QGWQWGYXQCEGKH-INIZCTEOSA-N 1 1 316.445 3.616 20 30 DHEDMO CC(=O)c1ccccc1OCC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425549428 335075056 /nfs/dbraw/zinc/07/50/56/335075056.db2.gz ZSJWEUIGNPRJOK-HNNXBMFYSA-N 1 1 322.408 3.833 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)cc(OC)c1O ZINC000290995914 335078020 /nfs/dbraw/zinc/07/80/20/335078020.db2.gz AJIHAPSBRRDLEK-LBPRGKRZSA-N 1 1 311.372 3.606 20 30 DHEDMO C#CCCOc1ccc(C[NH2+]Cc2oc(CCC)nc2C)cc1 ZINC000291755340 335083525 /nfs/dbraw/zinc/08/35/25/335083525.db2.gz QRFRXOJVDKIFCM-UHFFFAOYSA-N 1 1 312.413 3.627 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425554322 335086898 /nfs/dbraw/zinc/08/68/98/335086898.db2.gz OFZJQKKNRLHBKI-DNVCBOLYSA-N 1 1 310.441 3.900 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000425556216 335087660 /nfs/dbraw/zinc/08/76/60/335087660.db2.gz SJJYSGJGVFORQN-IBGZPJMESA-N 1 1 310.441 3.534 20 30 DHEDMO C=CC[C@H](C)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000530584854 331609601 /nfs/dbraw/zinc/60/96/01/331609601.db2.gz NHAZTDSKXSVFNO-SFHVURJKSA-N 1 1 322.452 3.770 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000557217137 331777085 /nfs/dbraw/zinc/77/70/85/331777085.db2.gz NFZYRJZLLYHVNK-OAHLLOKOSA-N 1 1 324.359 3.546 20 30 DHEDMO CC(C)(C#N)CCCCN1CC[NH+](Cc2cccs2)CC1 ZINC000409446899 332032615 /nfs/dbraw/zinc/03/26/15/332032615.db2.gz NPOARNYSCXZJSS-UHFFFAOYSA-N 1 1 305.491 3.586 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000091813471 332088525 /nfs/dbraw/zinc/08/85/25/332088525.db2.gz UBARLYATNRQROL-GOSISDBHSA-N 1 1 301.430 3.502 20 30 DHEDMO C[C@@H]1C[C@H](CCNc2ccnc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000569484301 332101585 /nfs/dbraw/zinc/10/15/85/332101585.db2.gz FRYKFSQKTOYWAX-AEFFLSMTSA-N 1 1 320.440 3.666 20 30 DHEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H](C)c1ccc(F)cc1 ZINC000092123598 332111332 /nfs/dbraw/zinc/11/13/32/332111332.db2.gz QBPPFKAMSYBQBC-CQSZACIVSA-N 1 1 322.387 3.928 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H](CC)c2ccc(Cl)cc2)C1=O ZINC000410335229 332113799 /nfs/dbraw/zinc/11/37/99/332113799.db2.gz NIDPDRRLASWQNX-JKSUJKDBSA-N 1 1 306.837 3.510 20 30 DHEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000181263784 332188329 /nfs/dbraw/zinc/18/83/29/332188329.db2.gz NKEGXTITIHYOPF-UHFFFAOYSA-N 1 1 320.742 3.805 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000181263784 332188331 /nfs/dbraw/zinc/18/83/31/332188331.db2.gz NKEGXTITIHYOPF-UHFFFAOYSA-N 1 1 320.742 3.805 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000150901010 332197975 /nfs/dbraw/zinc/19/79/75/332197975.db2.gz WLOFEIBSHDCUQP-AWEZNQCLSA-N 1 1 317.433 3.773 20 30 DHEDMO CC1(C)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]2CCC[C@H]21 ZINC000559427736 332257864 /nfs/dbraw/zinc/25/78/64/332257864.db2.gz VSEBLBDJSSZGIB-CVEARBPZSA-N 1 1 322.412 3.619 20 30 DHEDMO COc1ccc(C[NH+]2CCC(=Cc3cc(C)on3)CC2)cc1C#N ZINC000370871849 332273914 /nfs/dbraw/zinc/27/39/14/332273914.db2.gz DHZFVAKDIJDATK-UHFFFAOYSA-N 1 1 323.396 3.543 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000152994154 332331949 /nfs/dbraw/zinc/33/19/49/332331949.db2.gz DCWMIEFXLDBWNL-OAHLLOKOSA-N 1 1 317.433 3.594 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000153024165 332338981 /nfs/dbraw/zinc/33/89/81/332338981.db2.gz KJTQULBXIDHYOQ-OAHLLOKOSA-N 1 1 319.468 3.583 20 30 DHEDMO CCCOc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1OCC ZINC000560569984 332361855 /nfs/dbraw/zinc/36/18/55/332361855.db2.gz ZCANWTIVZNQERR-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO CCCOc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1OCC ZINC000560569984 332361856 /nfs/dbraw/zinc/36/18/56/332361856.db2.gz ZCANWTIVZNQERR-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000120003674 332380804 /nfs/dbraw/zinc/38/08/04/332380804.db2.gz XCSBDKYOQXBLTM-SJORKVTESA-N 1 1 304.409 3.653 20 30 DHEDMO CCOC1(C)CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000428750169 332412832 /nfs/dbraw/zinc/41/28/32/332412832.db2.gz RMQBJGMTOBCAQL-UHFFFAOYSA-N 1 1 324.371 3.551 20 30 DHEDMO C=CCNC(=O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000180032309 333026555 /nfs/dbraw/zinc/02/65/55/333026555.db2.gz BJAMKBMUSLTYGI-MRVPVSSYSA-N 1 1 321.635 3.600 20 30 DHEDMO CC(C)(C)c1nc(C[NH2+]Cc2ccc(OCC#N)cc2)cs1 ZINC000171768887 333054438 /nfs/dbraw/zinc/05/44/38/333054438.db2.gz QIRKIKJDIMJUIS-UHFFFAOYSA-N 1 1 315.442 3.633 20 30 DHEDMO COC(=O)c1cc(C[NH2+][C@H](CCC#N)c2ccccc2)oc1C ZINC000181938305 333173784 /nfs/dbraw/zinc/17/37/84/333173784.db2.gz BBYYCQWQFQXFOX-QGZVFWFLSA-N 1 1 312.369 3.509 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CN[C@H](C)c1cc(C)ccn1)C(C)C ZINC000517046494 333215994 /nfs/dbraw/zinc/21/59/94/333215994.db2.gz ZRLSXTGKDAFFQP-MJGOQNOKSA-N 1 1 301.478 3.739 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186050115 333216804 /nfs/dbraw/zinc/21/68/04/333216804.db2.gz XIZMFQJKZAWGHT-GOSISDBHSA-N 1 1 300.446 3.650 20 30 DHEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000497393413 333245368 /nfs/dbraw/zinc/24/53/68/333245368.db2.gz SXVIXBPUKRYXEZ-FQEVSTJZSA-N 1 1 321.424 3.826 20 30 DHEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)CC(C)(C)CCC#N ZINC000188581701 333248983 /nfs/dbraw/zinc/24/89/83/333248983.db2.gz UEKMQWJMPXCAMK-LJQANCHMSA-N 1 1 302.462 3.980 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)CCOc2ccc(C#N)cc2)cc1 ZINC000497461736 333253747 /nfs/dbraw/zinc/25/37/47/333253747.db2.gz JBCUFPCBKOXOOY-UHFFFAOYSA-N 1 1 324.424 3.510 20 30 DHEDMO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1nc(-c2cccc(F)c2)no1 ZINC000194755156 333316016 /nfs/dbraw/zinc/31/60/16/333316016.db2.gz GCUZCRAFHVILKX-HUBLWGQQSA-N 1 1 314.364 3.609 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cc2ccccc2[nH]c1=O ZINC000111208164 333327904 /nfs/dbraw/zinc/32/79/04/333327904.db2.gz WUMLMMGOQMKNST-UHFFFAOYSA-N 1 1 318.420 3.759 20 30 DHEDMO C=CC(C)(C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000296231918 335142621 /nfs/dbraw/zinc/14/26/21/335142621.db2.gz WPHJHLPFMIMYLO-GOSISDBHSA-N 1 1 314.473 3.617 20 30 DHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(CC#N)cc3)c2C1 ZINC000270304764 334010736 /nfs/dbraw/zinc/01/07/36/334010736.db2.gz PHJRGNMFVVDOFM-UHFFFAOYSA-N 1 1 319.408 3.731 20 30 DHEDMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(CC#N)cc3)c2C1 ZINC000270304764 334010738 /nfs/dbraw/zinc/01/07/38/334010738.db2.gz PHJRGNMFVVDOFM-UHFFFAOYSA-N 1 1 319.408 3.731 20 30 DHEDMO CC(C)(C#N)CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000270648801 334015257 /nfs/dbraw/zinc/01/52/57/334015257.db2.gz LIDSOVRSPJQOAC-KRWDZBQOSA-N 1 1 312.413 3.755 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@H](C)C(C)C)cc1OCCCC#N ZINC000271043823 334017665 /nfs/dbraw/zinc/01/76/65/334017665.db2.gz KKMDMEQQZTZSTM-OAHLLOKOSA-N 1 1 304.434 3.854 20 30 DHEDMO COc1cccc(C[N@@H+](CCC(C)(C)C#N)C[C@@H]2CCCO2)c1 ZINC000271996888 334029437 /nfs/dbraw/zinc/02/94/37/334029437.db2.gz GFZMWROLOOAKHQ-SFHVURJKSA-N 1 1 316.445 3.616 20 30 DHEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCC(C)(C)C#N)C3)nc2c1 ZINC000272039067 334030065 /nfs/dbraw/zinc/03/00/65/334030065.db2.gz QNSZJEAOOZZPDK-HNNXBMFYSA-N 1 1 310.445 3.991 20 30 DHEDMO Cc1ccc2nc([C@H]3CCC[N@H+](CCC(C)(C)C#N)C3)[nH]c2c1 ZINC000272039067 334030067 /nfs/dbraw/zinc/03/00/67/334030067.db2.gz QNSZJEAOOZZPDK-HNNXBMFYSA-N 1 1 310.445 3.991 20 30 DHEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](CCC(C)(C)C#N)C3)[nH]c2c1 ZINC000272039067 334030069 /nfs/dbraw/zinc/03/00/69/334030069.db2.gz QNSZJEAOOZZPDK-HNNXBMFYSA-N 1 1 310.445 3.991 20 30 DHEDMO Cc1ccc(C[NH+]2CCC(C)(C#N)CC2)c(Br)c1 ZINC000272507718 334036245 /nfs/dbraw/zinc/03/62/45/334036245.db2.gz IJLDVPZGMYTHIP-UHFFFAOYSA-N 1 1 307.235 3.883 20 30 DHEDMO CC1(C#N)CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000272609416 334038110 /nfs/dbraw/zinc/03/81/10/334038110.db2.gz SCZYICWFTPWXPD-UHFFFAOYSA-N 1 1 306.331 3.683 20 30 DHEDMO CC(C)(CCC#N)C[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000272612866 334038129 /nfs/dbraw/zinc/03/81/29/334038129.db2.gz KSCSACTYGNAPJB-UHFFFAOYSA-N 1 1 308.429 3.560 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000272612866 334038130 /nfs/dbraw/zinc/03/81/30/334038130.db2.gz KSCSACTYGNAPJB-UHFFFAOYSA-N 1 1 308.429 3.560 20 30 DHEDMO CC1(C#N)CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000272607339 334038176 /nfs/dbraw/zinc/03/81/76/334038176.db2.gz RSNDJCVWVCLQQH-AWEZNQCLSA-N 1 1 313.228 3.652 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cccc(OCC#N)c1 ZINC000272654571 334038538 /nfs/dbraw/zinc/03/85/38/334038538.db2.gz NMJSYTQFIYELLC-OXQOHEQNSA-N 1 1 321.424 3.521 20 30 DHEDMO Cc1cc(-c2noc([C@H](C)[NH2+]CCC(C)(C)C#N)n2)ccc1F ZINC000273279791 334044859 /nfs/dbraw/zinc/04/48/59/334044859.db2.gz GLDDGSBGMGEOMU-LBPRGKRZSA-N 1 1 316.380 3.775 20 30 DHEDMO C[N@@H+](CCCSCC#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273425263 334046681 /nfs/dbraw/zinc/04/66/81/334046681.db2.gz KOHCZQFCBHAFDT-IRXDYDNUSA-N 1 1 322.449 3.624 20 30 DHEDMO C[C@H](c1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1)[NH+]1CCOCC1 ZINC000274236007 334057727 /nfs/dbraw/zinc/05/77/27/334057727.db2.gz ULWRVMDXVJBIAB-SOLBZPMBSA-N 1 1 313.445 3.574 20 30 DHEDMO C[C@@H](CCO)[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000277619197 334089496 /nfs/dbraw/zinc/08/94/96/334089496.db2.gz GESWHEOJAOHQDS-KRWDZBQOSA-N 1 1 302.462 3.980 20 30 DHEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C1CCCCC1 ZINC000279476727 334108987 /nfs/dbraw/zinc/10/89/87/334108987.db2.gz WHVDCQDYKGACJK-UHFFFAOYSA-N 1 1 323.444 3.623 20 30 DHEDMO CO[C@]1(C)CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000280661624 334119066 /nfs/dbraw/zinc/11/90/66/334119066.db2.gz ZYIHBJMTWBZHPU-LJQANCHMSA-N 1 1 300.446 3.879 20 30 DHEDMO N#CC1(CCC[N@@H+]2CC[C@H](c3cccc(F)c3)C2)CCOCC1 ZINC000281638480 334127687 /nfs/dbraw/zinc/12/76/87/334127687.db2.gz BXFZTKFKJKNJPZ-KRWDZBQOSA-N 1 1 316.420 3.716 20 30 DHEDMO C=CC[N@@H+](CCCC1(C#N)CCOCC1)CCc1ccccc1 ZINC000281903398 334129590 /nfs/dbraw/zinc/12/95/90/334129590.db2.gz FWXLDXNUVBLRKP-UHFFFAOYSA-N 1 1 312.457 3.818 20 30 DHEDMO C=C[C@H](CC(=O)Nc1c[nH+]ccc1-n1cccn1)c1ccccc1 ZINC000340161348 334139282 /nfs/dbraw/zinc/13/92/82/334139282.db2.gz YXBWIQSGKDDPDU-OAHLLOKOSA-N 1 1 318.380 3.566 20 30 DHEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNc1ncc(C#N)cc1Cl ZINC000439093649 334154155 /nfs/dbraw/zinc/15/41/55/334154155.db2.gz UBSFYCRYIAQYKW-CQSZACIVSA-N 1 1 306.841 3.529 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000289372204 334164621 /nfs/dbraw/zinc/16/46/21/334164621.db2.gz AXTJROVBUGEUGF-ZWKOTPCHSA-N 1 1 312.457 3.877 20 30 DHEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000343586331 335179783 /nfs/dbraw/zinc/17/97/83/335179783.db2.gz QJCGYTIXMJJHFV-HNNXBMFYSA-N 1 1 319.408 3.893 20 30 DHEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000292372860 334187292 /nfs/dbraw/zinc/18/72/92/334187292.db2.gz IXFIILYAXJRDKT-CJNGLKHVSA-N 1 1 319.861 3.950 20 30 DHEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000292372860 334187293 /nfs/dbraw/zinc/18/72/93/334187293.db2.gz IXFIILYAXJRDKT-CJNGLKHVSA-N 1 1 319.861 3.950 20 30 DHEDMO CCOc1cc2c(cc1OCC)C[N@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000293661964 334200390 /nfs/dbraw/zinc/20/03/90/334200390.db2.gz YUJCDRRBBJSNDW-PBHICJAKSA-N 1 1 314.429 3.534 20 30 DHEDMO N#C[C@H]1CC[C@H]([N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000297933673 334244965 /nfs/dbraw/zinc/24/49/65/334244965.db2.gz RJFSFICBQSEJIM-WMZOPIPTSA-N 1 1 317.864 3.540 20 30 DHEDMO COc1cc(C[N@@H+](C)[C@H](C)CCC#N)c(SC)cc1OC ZINC000299315149 334254516 /nfs/dbraw/zinc/25/45/16/334254516.db2.gz OZOAGIDTQINSOG-GFCCVEGCSA-N 1 1 308.447 3.550 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000303961290 334350575 /nfs/dbraw/zinc/35/05/75/334350575.db2.gz ZQTKHAPHDNWZMG-UHFFFAOYSA-N 1 1 318.461 3.839 20 30 DHEDMO C[C@@H]1[C@H](Nc2c(C#N)cccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000340813742 334387304 /nfs/dbraw/zinc/38/73/04/334387304.db2.gz DUMULOFHKBSULB-DNVCBOLYSA-N 1 1 316.408 3.505 20 30 DHEDMO C=CC[C@H](CO)CNc1cc[nH+]c2cc(Br)ccc12 ZINC000340890010 334393677 /nfs/dbraw/zinc/39/36/77/334393677.db2.gz UAUHRMZHFKZFLA-NSHDSACASA-N 1 1 321.218 3.594 20 30 DHEDMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2cccc(C#N)c2F)c1 ZINC000341029052 334403147 /nfs/dbraw/zinc/40/31/47/334403147.db2.gz FNHHGIIVOWVKNI-LBPRGKRZSA-N 1 1 314.360 3.565 20 30 DHEDMO N#CCC1(C[NH2+]Cc2c(F)cccc2OC(F)(F)F)CC1 ZINC000341401885 334439293 /nfs/dbraw/zinc/43/92/93/334439293.db2.gz IOARKWUVQKSTSP-UHFFFAOYSA-N 1 1 302.271 3.508 20 30 DHEDMO C=CCCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343757883 335191082 /nfs/dbraw/zinc/19/10/82/335191082.db2.gz RTFRHRILCXNAIF-LBPRGKRZSA-N 1 1 301.356 3.585 20 30 DHEDMO CC[C@@]1(C)CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000344247145 335232224 /nfs/dbraw/zinc/23/22/24/335232224.db2.gz RDQBFJPAOJWEKW-KRWDZBQOSA-N 1 1 319.836 3.662 20 30 DHEDMO COc1ccc(F)cc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000345384763 335322103 /nfs/dbraw/zinc/32/21/03/335322103.db2.gz RGOAJHAJXONCIQ-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO COc1ccc(F)cc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000345384763 335322105 /nfs/dbraw/zinc/32/21/05/335322105.db2.gz RGOAJHAJXONCIQ-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccc(C#N)c(F)c1 ZINC000346191226 335388292 /nfs/dbraw/zinc/38/82/92/335388292.db2.gz MKYDVTGEAZKEED-CQSZACIVSA-N 1 1 320.371 3.734 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c(F)c1 ZINC000347668703 335515012 /nfs/dbraw/zinc/51/50/12/335515012.db2.gz RTHVJQUQFFBMEX-KRWDZBQOSA-N 1 1 318.779 3.564 20 30 DHEDMO COc1ccc(C(C)(C)[NH2+]Cc2cccc(F)c2C#N)cc1F ZINC000528681167 335652187 /nfs/dbraw/zinc/65/21/87/335652187.db2.gz ZONSZAHDQZDERN-UHFFFAOYSA-N 1 1 316.351 3.870 20 30 DHEDMO C#CCOc1ccccc1C[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000105504273 335767372 /nfs/dbraw/zinc/76/73/72/335767372.db2.gz VJJRLCYYTWMMBW-HNNXBMFYSA-N 1 1 300.427 3.704 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191694743 335829932 /nfs/dbraw/zinc/82/99/32/335829932.db2.gz FJTZOJPNBJJUBF-SSDOTTSWSA-N 1 1 307.644 3.946 20 30 DHEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H]2CC[C@H](C)CC2)C1 ZINC000329654027 336028707 /nfs/dbraw/zinc/02/87/07/336028707.db2.gz FDBIAGBLLKQQGQ-BZUAXINKSA-N 1 1 318.465 3.575 20 30 DHEDMO C[C@@H](c1ccco1)N(C)CC#CC[N@H+](C)[C@@H](C)c1ccco1 ZINC000351614761 336050590 /nfs/dbraw/zinc/05/05/90/336050590.db2.gz IODDCWYMVVIJMO-HOTGVXAUSA-N 1 1 300.402 3.562 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000351751605 336064619 /nfs/dbraw/zinc/06/46/19/336064619.db2.gz KCJLGGGWJUVDBV-INIZCTEOSA-N 1 1 302.466 3.998 20 30 DHEDMO C=C(C)CC[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000351751605 336064621 /nfs/dbraw/zinc/06/46/21/336064621.db2.gz KCJLGGGWJUVDBV-INIZCTEOSA-N 1 1 302.466 3.998 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000351751605 336064623 /nfs/dbraw/zinc/06/46/23/336064623.db2.gz KCJLGGGWJUVDBV-INIZCTEOSA-N 1 1 302.466 3.998 20 30 DHEDMO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000329952931 336099302 /nfs/dbraw/zinc/09/93/02/336099302.db2.gz NLWKVDKHMYZNIY-PWUWZPNHSA-N 1 1 318.465 3.513 20 30 DHEDMO O=C(Nc1ccc(O)c(C(F)(F)F)c1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330218145 336125551 /nfs/dbraw/zinc/12/55/51/336125551.db2.gz JBWOVJWKPPYPDK-GFCCVEGCSA-N 1 1 314.307 3.626 20 30 DHEDMO O=C(Nc1ccc(O)c(C(F)(F)F)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330218145 336125552 /nfs/dbraw/zinc/12/55/52/336125552.db2.gz JBWOVJWKPPYPDK-GFCCVEGCSA-N 1 1 314.307 3.626 20 30 DHEDMO O=C(Nc1cc(F)ccc1O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000330293586 336136386 /nfs/dbraw/zinc/13/63/86/336136386.db2.gz HXPJPHKRJTVWPX-HNNXBMFYSA-N 1 1 306.381 3.916 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000330308418 336146368 /nfs/dbraw/zinc/14/63/68/336146368.db2.gz SSUDHDKXEFWMBP-LLVKDONJSA-N 1 1 310.467 3.688 20 30 DHEDMO N#CC1(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)CCC1 ZINC000333389346 336202946 /nfs/dbraw/zinc/20/29/46/336202946.db2.gz GSJZACZCCQVNME-UHFFFAOYSA-N 1 1 313.376 3.840 20 30 DHEDMO N#CC1(F)CC[NH+](Cc2cc(Cl)cc3cccnc32)CC1 ZINC000352459416 336220470 /nfs/dbraw/zinc/22/04/70/336220470.db2.gz YHBVBZZFOIEVLR-UHFFFAOYSA-N 1 1 303.768 3.716 20 30 DHEDMO Cn1cc(C[N@H+]2CCCC(C)(C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000352608089 336226707 /nfs/dbraw/zinc/22/67/07/336226707.db2.gz FDXJIOKXROLLRW-UHFFFAOYSA-N 1 1 322.456 3.971 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cnn(Cc2ccccc2)c1 ZINC000352715748 336232061 /nfs/dbraw/zinc/23/20/61/336232061.db2.gz AROFLMAATTVYGN-UHFFFAOYSA-N 1 1 321.424 3.755 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)cc1 ZINC000103142143 336239446 /nfs/dbraw/zinc/23/94/46/336239446.db2.gz RDFKIIQZFXUWJD-INIZCTEOSA-N 1 1 310.372 3.695 20 30 DHEDMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H]1CCCO1 ZINC000103480587 336241848 /nfs/dbraw/zinc/24/18/48/336241848.db2.gz YUTKVKYLJSJYAE-LJQANCHMSA-N 1 1 306.409 3.836 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000532626124 336258158 /nfs/dbraw/zinc/25/81/58/336258158.db2.gz KVJUAFYPJGEXJT-HUUCEWRRSA-N 1 1 316.470 3.803 20 30 DHEDMO CC(C)C[N@H+]1CCCC[C@H]1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000538506524 336269122 /nfs/dbraw/zinc/26/91/22/336269122.db2.gz CQUUEQRGCQBRHN-QAPCUYQASA-N 1 1 317.452 3.858 20 30 DHEDMO CC(C)CN1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000538506524 336269123 /nfs/dbraw/zinc/26/91/23/336269123.db2.gz CQUUEQRGCQBRHN-QAPCUYQASA-N 1 1 317.452 3.858 20 30 DHEDMO COCC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccco1 ZINC000542529429 336270357 /nfs/dbraw/zinc/27/03/57/336270357.db2.gz CWJFQDDRRWIAGN-INIZCTEOSA-N 1 1 303.789 3.652 20 30 DHEDMO C[NH+](C)Cc1cc(NC(=O)c2cscc2C#N)ccc1Cl ZINC000352837126 336272795 /nfs/dbraw/zinc/27/27/95/336272795.db2.gz BQGKRDPHUKIKRH-UHFFFAOYSA-N 1 1 319.817 3.587 20 30 DHEDMO N#Cc1cccc(Cl)c1NCC[N@@H+]1CCc2sccc2C1 ZINC000301346279 336301708 /nfs/dbraw/zinc/30/17/08/336301708.db2.gz HKFFFRRGWIIMTP-UHFFFAOYSA-N 1 1 317.845 3.743 20 30 DHEDMO N#Cc1cccc(Cl)c1NCC[N@H+]1CCc2sccc2C1 ZINC000301346279 336301709 /nfs/dbraw/zinc/30/17/09/336301709.db2.gz HKFFFRRGWIIMTP-UHFFFAOYSA-N 1 1 317.845 3.743 20 30 DHEDMO C[N@H+]1CCC[C@H](CNc2cccc(C#N)n2)[C@@H]1c1cccs1 ZINC000301438505 336306814 /nfs/dbraw/zinc/30/68/14/336306814.db2.gz STXJOUZSXQHSEA-CXAGYDPISA-N 1 1 312.442 3.510 20 30 DHEDMO N#Cc1cc(F)c(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c(F)c1 ZINC000301469283 336308844 /nfs/dbraw/zinc/30/88/44/336308844.db2.gz NSQOWYMGBIGRHH-CQSZACIVSA-N 1 1 305.372 3.513 20 30 DHEDMO N#Cc1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000301778515 336329128 /nfs/dbraw/zinc/32/91/28/336329128.db2.gz MCGIGECOYNGHFI-KSSFIOAISA-N 1 1 315.848 3.665 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000302060774 336346222 /nfs/dbraw/zinc/34/62/22/336346222.db2.gz RBDRWEZAGVRMCG-RDJZCZTQSA-N 1 1 315.436 3.788 20 30 DHEDMO Cc1cn2c([nH+]1)CC[C@H](Nc1ccc(C(F)(F)F)cc1C#N)C2 ZINC000302697122 336365356 /nfs/dbraw/zinc/36/53/56/336365356.db2.gz WMSHQTYAHYHUFV-ZDUSSCGKSA-N 1 1 320.318 3.509 20 30 DHEDMO C[N@H+]1CC[C@@H](Nc2c(F)cc(C#N)cc2F)[C@H]1c1ccccc1 ZINC000302830255 336371271 /nfs/dbraw/zinc/37/12/71/336371271.db2.gz PWBCVWWUHQTRHH-SJLPKXTDSA-N 1 1 313.351 3.694 20 30 DHEDMO N#Cc1cccc(C#N)c1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000302889744 336373457 /nfs/dbraw/zinc/37/34/57/336373457.db2.gz OZJJKHMEWMPOGX-LJQANCHMSA-N 1 1 316.408 3.506 20 30 DHEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c2nccn21 ZINC000514652622 336393110 /nfs/dbraw/zinc/39/31/10/336393110.db2.gz HHMYGCSLVFNWCD-QMTHXVAHSA-N 1 1 320.318 3.569 20 30 DHEDMO C=CCC[C@H](NC(=O)[C@@H]1CCCc2[nH+]ccn21)c1ccccc1 ZINC000355159145 336496610 /nfs/dbraw/zinc/49/66/10/336496610.db2.gz IAVCQQVGBBSBTI-IRXDYDNUSA-N 1 1 309.413 3.584 20 30 DHEDMO C=CCCc1ccccc1NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000356273427 336543725 /nfs/dbraw/zinc/54/37/25/336543725.db2.gz FWXCGMHZKXJVIT-MRXNPFEDSA-N 1 1 309.413 3.511 20 30 DHEDMO COc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c(F)c1 ZINC000358598683 336636272 /nfs/dbraw/zinc/63/62/72/336636272.db2.gz YZOFEPKWAWRBAF-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO C=CCN(CC)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000369848790 336873119 /nfs/dbraw/zinc/87/31/19/336873119.db2.gz WWASACUWCXWRIZ-INIZCTEOSA-N 1 1 315.461 3.528 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1cnn(Cc2ccccc2)c1 ZINC000119425368 336889634 /nfs/dbraw/zinc/88/96/34/336889634.db2.gz QECFXTNSHDISDK-MRXNPFEDSA-N 1 1 316.408 3.654 20 30 DHEDMO C[C@H]([NH2+]Cc1ncc[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374691869 336995187 /nfs/dbraw/zinc/99/51/87/336995187.db2.gz FEVAQMWINFFUSB-AWEZNQCLSA-N 1 1 302.381 3.799 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000375402668 337010483 /nfs/dbraw/zinc/01/04/83/337010483.db2.gz ICJGVRJQKHCIQU-LJQANCHMSA-N 1 1 300.446 3.954 20 30 DHEDMO C[N@H+]1CCC[C@H](CNCc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000375528685 337012779 /nfs/dbraw/zinc/01/27/79/337012779.db2.gz QYFXZBLHUBVPKA-NHCUHLMSSA-N 1 1 319.452 3.731 20 30 DHEDMO COc1cc(C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)ccc1C#N ZINC000375587502 337013918 /nfs/dbraw/zinc/01/39/18/337013918.db2.gz YYLPJJVVFCEKST-KDOFPFPSSA-N 1 1 307.397 3.545 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000122659343 337017724 /nfs/dbraw/zinc/01/77/24/337017724.db2.gz VMXYPUYZODVNIO-LJQANCHMSA-N 1 1 304.393 3.796 20 30 DHEDMO Cc1cnc(C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)s1 ZINC000375930921 337023462 /nfs/dbraw/zinc/02/34/62/337023462.db2.gz HKOAELFDPBTBTB-UHFFFAOYSA-N 1 1 315.417 3.842 20 30 DHEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000376551383 337036533 /nfs/dbraw/zinc/03/65/33/337036533.db2.gz HYCBJHVOARMFJI-SJLPKXTDSA-N 1 1 313.445 3.565 20 30 DHEDMO C(#Cc1ccccc1)C[N@@H+]1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000377017303 337045389 /nfs/dbraw/zinc/04/53/89/337045389.db2.gz ZJPPMNVLPBEEDP-UHFFFAOYSA-N 1 1 313.404 3.704 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H]2CCCc3cccnc32)cc1 ZINC000377246816 337049403 /nfs/dbraw/zinc/04/94/03/337049403.db2.gz WRGKWHUGLLMNCT-DNVCBOLYSA-N 1 1 321.424 3.882 20 30 DHEDMO CCCCCCC[C@@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000377407689 337052286 /nfs/dbraw/zinc/05/22/86/337052286.db2.gz BBUBYEGZUZCEFF-WBVHZDCISA-N 1 1 319.493 3.867 20 30 DHEDMO N#Cc1ccc(CN[C@@H]2CCC[N@@H+](C3CCCCC3)C2)s1 ZINC000377988758 337064853 /nfs/dbraw/zinc/06/48/53/337064853.db2.gz BZMIALRZADVNCL-CQSZACIVSA-N 1 1 303.475 3.506 20 30 DHEDMO N#Cc1ccc(CN[C@@H]2CCC[N@H+](C3CCCCC3)C2)s1 ZINC000377988758 337064854 /nfs/dbraw/zinc/06/48/54/337064854.db2.gz BZMIALRZADVNCL-CQSZACIVSA-N 1 1 303.475 3.506 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000378574142 337075867 /nfs/dbraw/zinc/07/58/67/337075867.db2.gz GGTDEUIDTBYLDB-DNVCBOLYSA-N 1 1 316.408 3.916 20 30 DHEDMO Cc1ccc(C(=O)/C=C/c2nc3c(s2)C[N@H+](C(C)C)CC3)o1 ZINC000378639591 337077407 /nfs/dbraw/zinc/07/74/07/337077407.db2.gz SFZJYEOWMNZKTO-FNORWQNLSA-N 1 1 316.426 3.707 20 30 DHEDMO Cc1ccc(C(=O)/C=C/c2nc3c(s2)C[N@@H+](C(C)C)CC3)o1 ZINC000378639591 337077408 /nfs/dbraw/zinc/07/74/08/337077408.db2.gz SFZJYEOWMNZKTO-FNORWQNLSA-N 1 1 316.426 3.707 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CCCC[C@@H]3c3ccccc3)n2c1 ZINC000584366321 337118538 /nfs/dbraw/zinc/11/85/38/337118538.db2.gz VPTMMUCWSFSORM-LJQANCHMSA-N 1 1 316.408 3.933 20 30 DHEDMO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)c1ccc(C#N)cc1)C2 ZINC000172396649 337128677 /nfs/dbraw/zinc/12/86/77/337128677.db2.gz JFMRSLSHDWLRHN-AWEZNQCLSA-N 1 1 319.408 3.636 20 30 DHEDMO N#CCSCCC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000174115710 337139313 /nfs/dbraw/zinc/13/93/13/337139313.db2.gz YROFNSWWKBFFOO-CQSZACIVSA-N 1 1 315.442 3.654 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000174813526 337143548 /nfs/dbraw/zinc/14/35/48/337143548.db2.gz XVFYSDKJZKWLCM-INIZCTEOSA-N 1 1 313.445 3.667 20 30 DHEDMO C=CCCCC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000176249043 337149639 /nfs/dbraw/zinc/14/96/39/337149639.db2.gz FNDVFKKOWJQLCT-IBGZPJMESA-N 1 1 314.473 3.713 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000177397510 337155691 /nfs/dbraw/zinc/15/56/91/337155691.db2.gz BFRYSSCBDINSAZ-INIZCTEOSA-N 1 1 310.422 3.857 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000177397510 337155692 /nfs/dbraw/zinc/15/56/92/337155692.db2.gz BFRYSSCBDINSAZ-INIZCTEOSA-N 1 1 310.422 3.857 20 30 DHEDMO Cn1cccc1[C@H]1CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000177691054 337158520 /nfs/dbraw/zinc/15/85/20/337158520.db2.gz BAKGOEAEFXTTTQ-LJQANCHMSA-N 1 1 309.413 3.503 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2nc3ccccc3n2C2CC2)cc1 ZINC000184781614 337200988 /nfs/dbraw/zinc/20/09/88/337200988.db2.gz PAIFOGNESHWMDY-UHFFFAOYSA-N 1 1 302.381 3.533 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000582846302 337207381 /nfs/dbraw/zinc/20/73/81/337207381.db2.gz ICLRVDDPLBTAJV-IBGZPJMESA-N 1 1 321.424 3.754 20 30 DHEDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(Cl)cc1C#N ZINC000187085856 337263126 /nfs/dbraw/zinc/26/31/26/337263126.db2.gz RQEOJOXNRMCPOE-QGZVFWFLSA-N 1 1 305.853 3.518 20 30 DHEDMO C[C@@H]1CCCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000187910799 337268666 /nfs/dbraw/zinc/26/86/66/337268666.db2.gz ALXMDIWEHSMTSU-MRXNPFEDSA-N 1 1 323.440 3.860 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1F ZINC000191958650 337301496 /nfs/dbraw/zinc/30/14/96/337301496.db2.gz LJIXAAFXCVWPSF-LJQANCHMSA-N 1 1 324.399 3.879 20 30 DHEDMO N#CCC[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000584465319 337346863 /nfs/dbraw/zinc/34/68/63/337346863.db2.gz BSRAPARBJXEFGG-CQSZACIVSA-N 1 1 318.218 3.811 20 30 DHEDMO N#Cc1ccc(SCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000421842550 337653658 /nfs/dbraw/zinc/65/36/58/337653658.db2.gz LDZDUQUOFBCLCR-UHFFFAOYSA-N 1 1 324.449 3.683 20 30 DHEDMO Cc1cnc(C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)s1 ZINC000277561517 337666295 /nfs/dbraw/zinc/66/62/95/337666295.db2.gz XEIUUVLJCKFHPD-UHFFFAOYSA-N 1 1 314.429 3.822 20 30 DHEDMO C=CCOc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423099516 337699388 /nfs/dbraw/zinc/69/93/88/337699388.db2.gz FIRNOECBBMRLFF-HSALFYBXSA-N 1 1 314.473 3.652 20 30 DHEDMO C=CCn1cc(C[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)nn1 ZINC000424295574 337816966 /nfs/dbraw/zinc/81/69/66/337816966.db2.gz NAVGWUZRDHVBNV-KRWDZBQOSA-N 1 1 316.836 3.749 20 30 DHEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000090117790 337878150 /nfs/dbraw/zinc/87/81/50/337878150.db2.gz IYCLGVOGIFVQIO-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@H+](CC)CCCCC#N ZINC000537899792 338002369 /nfs/dbraw/zinc/00/23/69/338002369.db2.gz HDTXMPCRHAWELF-INIZCTEOSA-N 1 1 322.836 3.960 20 30 DHEDMO CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+](CC)CCCCC#N ZINC000537899792 338002370 /nfs/dbraw/zinc/00/23/70/338002370.db2.gz HDTXMPCRHAWELF-INIZCTEOSA-N 1 1 322.836 3.960 20 30 DHEDMO C=CCCc1ccccc1NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000516074347 338004043 /nfs/dbraw/zinc/00/40/43/338004043.db2.gz PCJJJEREUPDBLG-INIZCTEOSA-N 1 1 309.413 3.511 20 30 DHEDMO CO[C@@H](C)C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000426524726 338034164 /nfs/dbraw/zinc/03/41/64/338034164.db2.gz PSRWYJJYLAHICE-AWEZNQCLSA-N 1 1 313.363 3.802 20 30 DHEDMO CCC[N@@H+](Cc1cccc(F)c1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000428220056 338042955 /nfs/dbraw/zinc/04/29/55/338042955.db2.gz ZZZBQNCOSSTLGO-ZTFGCOKTSA-N 1 1 316.420 3.723 20 30 DHEDMO C[N@@H+](Cc1cccc(F)c1C#N)[C@H]1CCCN(c2ccccc2)C1 ZINC000428231774 338043353 /nfs/dbraw/zinc/04/33/53/338043353.db2.gz WWLLJFIQFLMIKE-SFHVURJKSA-N 1 1 323.415 3.798 20 30 DHEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428374012 338049145 /nfs/dbraw/zinc/04/91/45/338049145.db2.gz MRYITVSHGFAQRG-DJJJIMSYSA-N 1 1 310.372 3.521 20 30 DHEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428374012 338049146 /nfs/dbraw/zinc/04/91/46/338049146.db2.gz MRYITVSHGFAQRG-DJJJIMSYSA-N 1 1 310.372 3.521 20 30 DHEDMO C=CC[N@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000428393296 338049937 /nfs/dbraw/zinc/04/99/37/338049937.db2.gz XKSDWDMKAGPKBE-UHFFFAOYSA-N 1 1 319.040 3.829 20 30 DHEDMO C=CC[N@@H+](Cc1oc(CC)nc1C)Cc1ccc(OC)cc1 ZINC000428474472 338054401 /nfs/dbraw/zinc/05/44/01/338054401.db2.gz SGBPAWZHNXZWNY-UHFFFAOYSA-N 1 1 300.402 3.742 20 30 DHEDMO C=CC[N@H+](Cc1oc(CC)nc1C)Cc1ccc(OC)cc1 ZINC000428474472 338054402 /nfs/dbraw/zinc/05/44/02/338054402.db2.gz SGBPAWZHNXZWNY-UHFFFAOYSA-N 1 1 300.402 3.742 20 30 DHEDMO CC(C)([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000429261121 338075315 /nfs/dbraw/zinc/07/53/15/338075315.db2.gz ABNVWSFYQQEXER-UHFFFAOYSA-N 1 1 313.332 3.630 20 30 DHEDMO C=CCN(C)CC[N@H+](CC)Cc1cc(Cl)cc2cccnc21 ZINC000429719911 338088198 /nfs/dbraw/zinc/08/81/98/338088198.db2.gz VHTGQDSODPUXGR-UHFFFAOYSA-N 1 1 317.864 3.828 20 30 DHEDMO C=CC[N@@H+](C)CCN(CC)Cc1cc(Cl)cc2cccnc21 ZINC000429719911 338088199 /nfs/dbraw/zinc/08/81/99/338088199.db2.gz VHTGQDSODPUXGR-UHFFFAOYSA-N 1 1 317.864 3.828 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)Cc1cc(Cl)cc2cccnc21 ZINC000429719911 338088200 /nfs/dbraw/zinc/08/82/00/338088200.db2.gz VHTGQDSODPUXGR-UHFFFAOYSA-N 1 1 317.864 3.828 20 30 DHEDMO C=CCCCCCN(C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000448473252 338100090 /nfs/dbraw/zinc/10/00/90/338100090.db2.gz MEEMVPHCQHDLGQ-SFHVURJKSA-N 1 1 323.525 3.742 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430294280 338104675 /nfs/dbraw/zinc/10/46/75/338104675.db2.gz GBEUUDVZMNIRBE-SJORKVTESA-N 1 1 300.446 3.716 20 30 DHEDMO CC(C)(CCC#N)C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430864563 338117326 /nfs/dbraw/zinc/11/73/26/338117326.db2.gz LCNOKPQUHVJGHD-UHFFFAOYSA-N 1 1 322.456 3.851 20 30 DHEDMO N#CCCC[C@@H]([NH2+]Cc1nc(-c2ccco2)no1)c1ccccc1 ZINC000433015107 338176318 /nfs/dbraw/zinc/17/63/18/338176318.db2.gz VLYNPMQLTCEMCP-OAHLLOKOSA-N 1 1 322.368 3.854 20 30 DHEDMO Cn1c(C[NH2+][C@H](CCCC#N)c2ccccc2)nnc1C1CCC1 ZINC000433021617 338176720 /nfs/dbraw/zinc/17/67/20/338176720.db2.gz GWJZGWIEBHIWGY-QGZVFWFLSA-N 1 1 323.444 3.607 20 30 DHEDMO CCCn1c(C)nnc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433022618 338176741 /nfs/dbraw/zinc/17/67/41/338176741.db2.gz LEBKXUVZSPFMMY-QGZVFWFLSA-N 1 1 311.433 3.521 20 30 DHEDMO N#CCCC[C@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1ccccc1 ZINC000433024200 338176853 /nfs/dbraw/zinc/17/68/53/338176853.db2.gz VYZAHCBVPPHMFB-INIZCTEOSA-N 1 1 322.368 3.854 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433072729 338180221 /nfs/dbraw/zinc/18/02/21/338180221.db2.gz PSBMCTDGSBUBFX-SFHVURJKSA-N 1 1 306.409 3.946 20 30 DHEDMO COCC[N@@H+](CC#Cc1ccccc1Cl)[C@H]1CCCSC1 ZINC000433186393 338184704 /nfs/dbraw/zinc/18/47/04/338184704.db2.gz JFRORMCJAQVKND-INIZCTEOSA-N 1 1 323.889 3.536 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433310728 338191409 /nfs/dbraw/zinc/19/14/09/338191409.db2.gz DKKXMVWNOHIQPQ-INIZCTEOSA-N 1 1 320.864 3.554 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433310728 338191410 /nfs/dbraw/zinc/19/14/10/338191410.db2.gz DKKXMVWNOHIQPQ-INIZCTEOSA-N 1 1 320.864 3.554 20 30 DHEDMO C[N@H+](CCOc1cc(Cl)ccc1Cl)CC(C)(C)C#N ZINC000433314956 338191786 /nfs/dbraw/zinc/19/17/86/338191786.db2.gz AKYDPYBOQRGGST-UHFFFAOYSA-N 1 1 301.217 3.854 20 30 DHEDMO C[N@@H+](CCOc1cc(Cl)ccc1Cl)CC(C)(C)C#N ZINC000433314956 338191787 /nfs/dbraw/zinc/19/17/87/338191787.db2.gz AKYDPYBOQRGGST-UHFFFAOYSA-N 1 1 301.217 3.854 20 30 DHEDMO C=C(C)[C@H]1OCC[C@H]1CNc1c(C)c[nH+]c2c(OC)cccc12 ZINC000435593401 338243150 /nfs/dbraw/zinc/24/31/50/338243150.db2.gz QGZQRAIPAZREGP-IFXJQAMLSA-N 1 1 312.413 3.945 20 30 DHEDMO C=CCC[C@@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000435755412 338248035 /nfs/dbraw/zinc/24/80/35/338248035.db2.gz JHCWTVAFWCFAKI-SOLBZPMBSA-N 1 1 300.446 3.683 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000437566577 338313632 /nfs/dbraw/zinc/31/36/32/338313632.db2.gz GEBSEGGOIXHDKE-GOSISDBHSA-N 1 1 303.833 3.584 20 30 DHEDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437886800 338324194 /nfs/dbraw/zinc/32/41/94/338324194.db2.gz CRAGTLWEFNVFLI-NSHDSACASA-N 1 1 314.401 3.733 20 30 DHEDMO C[C@@H](C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccc(F)cc1 ZINC000438101272 338331637 /nfs/dbraw/zinc/33/16/37/338331637.db2.gz FSQDIONMKWTPML-YWZLYKJASA-N 1 1 324.399 3.874 20 30 DHEDMO C[C@@H](C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccc(F)cc1 ZINC000438101272 338331638 /nfs/dbraw/zinc/33/16/38/338331638.db2.gz FSQDIONMKWTPML-YWZLYKJASA-N 1 1 324.399 3.874 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)ccc1OC ZINC000438379091 338342202 /nfs/dbraw/zinc/34/22/02/338342202.db2.gz VEXMZKTWHOAXJK-XHSDSOJGSA-N 1 1 319.445 3.648 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)ccc1OC ZINC000438379091 338342203 /nfs/dbraw/zinc/34/22/03/338342203.db2.gz VEXMZKTWHOAXJK-XHSDSOJGSA-N 1 1 319.445 3.648 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000438487381 338345847 /nfs/dbraw/zinc/34/58/47/338345847.db2.gz DSFWYDPBNKNQFN-FQEVSTJZSA-N 1 1 306.409 3.730 20 30 DHEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000438819504 338352434 /nfs/dbraw/zinc/35/24/34/338352434.db2.gz MSYKQGMRMKBVJP-CRAIPNDOSA-N 1 1 313.445 3.787 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+](CCO)C2CCC2)cc1 ZINC000439289795 338366176 /nfs/dbraw/zinc/36/61/76/338366176.db2.gz PJBXGVIYSRNCME-UHFFFAOYSA-N 1 1 306.409 3.572 20 30 DHEDMO C[N@@H+](CCc1ccccc1O)Cc1ccc(C#N)cc1Cl ZINC000439430330 338369139 /nfs/dbraw/zinc/36/91/39/338369139.db2.gz IPWOQTUNPQXCQL-UHFFFAOYSA-N 1 1 300.789 3.592 20 30 DHEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439435283 338369226 /nfs/dbraw/zinc/36/92/26/338369226.db2.gz GJFPAHRUIJVCRX-CYBMUJFWSA-N 1 1 314.816 3.980 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c(Cl)c1 ZINC000439441255 338369565 /nfs/dbraw/zinc/36/95/65/338369565.db2.gz RTRXIHMRTYFMMX-KRWDZBQOSA-N 1 1 304.821 3.604 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c(Cl)c1 ZINC000439447497 338369848 /nfs/dbraw/zinc/36/98/48/338369848.db2.gz YVHNWSFOQRLJSC-IBGZPJMESA-N 1 1 324.811 3.843 20 30 DHEDMO C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000439459697 338370241 /nfs/dbraw/zinc/37/02/41/338370241.db2.gz HFCJUWNKDGAXES-CYBMUJFWSA-N 1 1 306.837 3.727 20 30 DHEDMO C[C@H]1C[C@H](C)CN(C(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449094964 338593064 /nfs/dbraw/zinc/59/30/64/338593064.db2.gz VGVLGJRRCVHKGL-XNYRCJLNSA-N 1 1 305.510 3.805 20 30 DHEDMO C=CCC1(C(=O)N2CCC[C@@H](n3cc[nH+]c3CC)C2)CCCC1 ZINC000449845549 338655549 /nfs/dbraw/zinc/65/55/49/338655549.db2.gz QEQJQCLZMDFPFG-MRXNPFEDSA-N 1 1 315.461 3.746 20 30 DHEDMO CCOc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1OCC ZINC000450651331 338696023 /nfs/dbraw/zinc/69/60/23/338696023.db2.gz PBQKGMXTMNHOOZ-CQSZACIVSA-N 1 1 302.418 3.828 20 30 DHEDMO COc1cc(Br)ccc1[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000450819953 338706930 /nfs/dbraw/zinc/70/69/30/338706930.db2.gz HUPSUCMTRYRPFD-LLVKDONJSA-N 1 1 323.234 3.802 20 30 DHEDMO C=CCC(C)(C)CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458627921 339002092 /nfs/dbraw/zinc/00/20/92/339002092.db2.gz HEGQHFCFDITPHV-HOTGVXAUSA-N 1 1 321.509 3.541 20 30 DHEDMO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C#N)[C@H]1Sc1ccccc1 ZINC000459472140 339031238 /nfs/dbraw/zinc/03/12/38/339031238.db2.gz ABHRNTHFPKTPMY-OGCZYDBJSA-N 1 1 316.470 3.607 20 30 DHEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000459664559 339041479 /nfs/dbraw/zinc/04/14/79/339041479.db2.gz IFQQPFYRNDAELM-CQSZACIVSA-N 1 1 310.397 3.735 20 30 DHEDMO CC#CCC[N@@H+]1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000462311458 339075557 /nfs/dbraw/zinc/07/55/57/339075557.db2.gz BKVVYUPCWALNQZ-SFHVURJKSA-N 1 1 315.457 3.904 20 30 DHEDMO Cc1cc(C)c2ncc(C#N)c(N(C)C[C@H]3CCC[N@@H+](C)C3)c2c1 ZINC000462839425 339093585 /nfs/dbraw/zinc/09/35/85/339093585.db2.gz KAEKYMPBLMTSKI-INIZCTEOSA-N 1 1 322.456 3.501 20 30 DHEDMO CCC[N@@H+](CCCC1CCOCC1)Cc1ccc(C#N)cc1 ZINC000463281980 339113260 /nfs/dbraw/zinc/11/32/60/339113260.db2.gz LWXTUVRXUFHNLH-UHFFFAOYSA-N 1 1 300.446 3.977 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)CC(C)(C)C ZINC000463357618 339115535 /nfs/dbraw/zinc/11/55/35/339115535.db2.gz BEQFYUOUISLOQJ-UHFFFAOYSA-N 1 1 307.825 3.518 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000464527758 339144333 /nfs/dbraw/zinc/14/43/33/339144333.db2.gz RQDXEPFWEHTHDD-VQIMIIECSA-N 1 1 314.473 3.542 20 30 DHEDMO CCC1(CC)C[N@@H+](Cc2ccc(C#N)cc2OC)CCS1 ZINC000464580288 339145901 /nfs/dbraw/zinc/14/59/01/339145901.db2.gz HEEVDXGCWKATPB-UHFFFAOYSA-N 1 1 304.459 3.674 20 30 DHEDMO CCC[C@]1(C)CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000464830537 339155776 /nfs/dbraw/zinc/15/57/76/339155776.db2.gz AZMRNDVAHXWLGO-GOSISDBHSA-N 1 1 319.493 3.573 20 30 DHEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000467288107 339229913 /nfs/dbraw/zinc/22/99/13/339229913.db2.gz GAVMDPJKPUXHSR-CQSZACIVSA-N 1 1 321.490 3.705 20 30 DHEDMO C=CCC[N@H+](C)CC1(COc2cccc(COC)c2)CCC1 ZINC000467290586 339230046 /nfs/dbraw/zinc/23/00/46/339230046.db2.gz JLFSPKFGJSAOPF-UHFFFAOYSA-N 1 1 303.446 3.890 20 30 DHEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000467297096 339230377 /nfs/dbraw/zinc/23/03/77/339230377.db2.gz LOJVDKWLJRJUTE-SNVBAGLBSA-N 1 1 301.217 3.828 20 30 DHEDMO C=CCC[N@H+](C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000467299924 339230417 /nfs/dbraw/zinc/23/04/17/339230417.db2.gz YHJMIXUFEMSLHA-LJQANCHMSA-N 1 1 311.425 3.601 20 30 DHEDMO C=CCC[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000467389918 339236239 /nfs/dbraw/zinc/23/62/39/339236239.db2.gz MYYXFHHXAUKZEK-UHFFFAOYSA-N 1 1 316.357 3.871 20 30 DHEDMO Cc1cc(C[N@@H+](C)CCCOCc2ccccc2)ccc1C#N ZINC000467551745 339241987 /nfs/dbraw/zinc/24/19/87/339241987.db2.gz CJVNFGGTKDULFJ-UHFFFAOYSA-N 1 1 308.425 3.905 20 30 DHEDMO CC(C)C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000468961904 339276204 /nfs/dbraw/zinc/27/62/04/339276204.db2.gz NUPWQPZRJYKUMP-HOTGVXAUSA-N 1 1 313.445 3.643 20 30 DHEDMO C=CCOCCC[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000470774375 339327659 /nfs/dbraw/zinc/32/76/59/339327659.db2.gz SMKKGEPKDTWTKR-MJGOQNOKSA-N 1 1 303.446 3.658 20 30 DHEDMO C=C(C)C[N@@H+](CCC(=O)NC1CCCC1)Cc1ccccc1 ZINC000470914417 339331128 /nfs/dbraw/zinc/33/11/28/339331128.db2.gz BXVLDGGLXDKWLG-UHFFFAOYSA-N 1 1 300.446 3.514 20 30 DHEDMO C=C(C)C[N@@H+](CC(=O)N(C)c1ccccc1)Cc1ccccc1 ZINC000470919708 339331340 /nfs/dbraw/zinc/33/13/40/339331340.db2.gz QXFXUVLFFWPGQR-UHFFFAOYSA-N 1 1 308.425 3.728 20 30 DHEDMO C=C(C)C[N@H+](CC(=O)N(C)c1ccccc1)Cc1ccccc1 ZINC000470919708 339331341 /nfs/dbraw/zinc/33/13/41/339331341.db2.gz QXFXUVLFFWPGQR-UHFFFAOYSA-N 1 1 308.425 3.728 20 30 DHEDMO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CCCC(C)(C)C#N ZINC000472238144 339367050 /nfs/dbraw/zinc/36/70/50/339367050.db2.gz FZTZDFUFWAHPIZ-IRXDYDNUSA-N 1 1 320.477 3.760 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1ccccc1Br ZINC000472752186 339376809 /nfs/dbraw/zinc/37/68/09/339376809.db2.gz QOHGSCDNAAICBW-CHWSQXEVSA-N 1 1 312.251 3.769 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000472766887 339377232 /nfs/dbraw/zinc/37/72/32/339377232.db2.gz TZNZQHGVPYYZSV-QAPCUYQASA-N 1 1 303.446 3.623 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000472774382 339377343 /nfs/dbraw/zinc/37/73/43/339377343.db2.gz XPOVVEBNFOJELU-TZIWHRDSSA-N 1 1 307.437 3.961 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc(C(=O)OC)c1 ZINC000499051700 340028613 /nfs/dbraw/zinc/02/86/13/340028613.db2.gz FYIZBXIUUWMKJF-UHFFFAOYSA-N 1 1 301.411 3.723 20 30 DHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1CC(C)C ZINC000501115526 340074614 /nfs/dbraw/zinc/07/46/14/340074614.db2.gz XIFCMPLMZICVOF-OALUTQOASA-N 1 1 317.473 3.665 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000501267230 340077550 /nfs/dbraw/zinc/07/75/50/340077550.db2.gz SHJNMKDMFNKYAU-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO C[N@H+](CCOc1cccc(Cl)c1)Cc1cc(C#N)ccc1F ZINC000501458223 340081649 /nfs/dbraw/zinc/08/16/49/340081649.db2.gz ZXUHTYLIBFCJPF-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[N@@H+](CCOc1cccc(Cl)c1)Cc1cc(C#N)ccc1F ZINC000501458223 340081650 /nfs/dbraw/zinc/08/16/50/340081650.db2.gz ZXUHTYLIBFCJPF-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(CC)Cc1ccccc1)Cc1ccccc1 ZINC000502297361 340099128 /nfs/dbraw/zinc/09/91/28/340099128.db2.gz BIPCMCDVXVQJGI-UHFFFAOYSA-N 1 1 322.452 3.723 20 30 DHEDMO C=CC[N@H+](CC(=O)N(CC)Cc1ccccc1)Cc1ccccc1 ZINC000502297361 340099129 /nfs/dbraw/zinc/09/91/29/340099129.db2.gz BIPCMCDVXVQJGI-UHFFFAOYSA-N 1 1 322.452 3.723 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)Cc1ccccc1 ZINC000502323512 340099823 /nfs/dbraw/zinc/09/98/23/340099823.db2.gz FLQUOKSOTHLLAT-SFHVURJKSA-N 1 1 322.452 3.894 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)Cc1ccccc1 ZINC000502323512 340099824 /nfs/dbraw/zinc/09/98/24/340099824.db2.gz FLQUOKSOTHLLAT-SFHVURJKSA-N 1 1 322.452 3.894 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000502451324 340104179 /nfs/dbraw/zinc/10/41/79/340104179.db2.gz SDUWEWYHDJQTGO-KZNAEPCWSA-N 1 1 314.473 3.853 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000502451324 340104180 /nfs/dbraw/zinc/10/41/80/340104180.db2.gz SDUWEWYHDJQTGO-KZNAEPCWSA-N 1 1 314.473 3.853 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000502468844 340105079 /nfs/dbraw/zinc/10/50/79/340105079.db2.gz MWRMZPZCJNVXST-GOSISDBHSA-N 1 1 322.452 3.688 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000502468844 340105080 /nfs/dbraw/zinc/10/50/80/340105080.db2.gz MWRMZPZCJNVXST-GOSISDBHSA-N 1 1 322.452 3.688 20 30 DHEDMO CN(CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000502528940 340106945 /nfs/dbraw/zinc/10/69/45/340106945.db2.gz MJZUZAHUQFMKOE-UHFFFAOYSA-N 1 1 317.436 3.784 20 30 DHEDMO C=CC[N@@H+](CCSC)Cc1cc(Br)ccc1F ZINC000502681783 340110253 /nfs/dbraw/zinc/11/02/53/340110253.db2.gz UAHZJXLRKYIZIK-UHFFFAOYSA-N 1 1 318.255 3.939 20 30 DHEDMO C=CC[N@H+](CCSC)Cc1cc(Br)ccc1F ZINC000502681783 340110254 /nfs/dbraw/zinc/11/02/54/340110254.db2.gz UAHZJXLRKYIZIK-UHFFFAOYSA-N 1 1 318.255 3.939 20 30 DHEDMO C=C[C@@H](CC(=O)Nc1cc(C)c2[nH+]ccn2c1)c1ccccc1 ZINC000502809839 340113985 /nfs/dbraw/zinc/11/39/85/340113985.db2.gz JZECUBORNSKRBT-HNNXBMFYSA-N 1 1 305.381 3.941 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](CCOC)Cc2cccs2)cc1 ZINC000506005277 340183023 /nfs/dbraw/zinc/18/30/23/340183023.db2.gz SUHHPHCPOSCPNJ-UHFFFAOYSA-N 1 1 317.454 3.962 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000506367736 340193350 /nfs/dbraw/zinc/19/33/50/340193350.db2.gz FUDKVMYSTUKCHH-HXUWFJFHSA-N 1 1 309.409 3.825 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000506367736 340193351 /nfs/dbraw/zinc/19/33/51/340193351.db2.gz FUDKVMYSTUKCHH-HXUWFJFHSA-N 1 1 309.409 3.825 20 30 DHEDMO COc1ccc(F)c(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000507156860 340210102 /nfs/dbraw/zinc/21/01/02/340210102.db2.gz VRHSMBHWAPFJLR-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO COc1ccc(F)c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000507156860 340210103 /nfs/dbraw/zinc/21/01/03/340210103.db2.gz VRHSMBHWAPFJLR-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO C=CC[C@H]1N(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CCCC1(C)C ZINC000509092294 340261070 /nfs/dbraw/zinc/26/10/70/340261070.db2.gz GDXUXEJNQSUVPO-DLBZAZTESA-N 1 1 306.494 3.844 20 30 DHEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000509392914 340268095 /nfs/dbraw/zinc/26/80/95/340268095.db2.gz MSYRIRXDJZUFCO-KRWDZBQOSA-N 1 1 301.434 3.629 20 30 DHEDMO C=CCCC[N@H+](C)Cc1nc2cc(Br)ccc2o1 ZINC000509657165 340275998 /nfs/dbraw/zinc/27/59/98/340275998.db2.gz IROUTFBEVABMGV-UHFFFAOYSA-N 1 1 309.207 3.988 20 30 DHEDMO C[N@@H+](CCOc1cccc(Cl)c1)Cc1cccc(C#N)c1 ZINC000302805765 340282451 /nfs/dbraw/zinc/28/24/51/340282451.db2.gz NQALPBSSRQKZIC-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)CCc1cccc2ccccc21 ZINC000303176424 340309591 /nfs/dbraw/zinc/30/95/91/340309591.db2.gz WLZTWFGBDPDQCI-UHFFFAOYSA-N 1 1 322.452 3.515 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)c1ccccc1)CC1CCCCC1 ZINC000303439592 340325439 /nfs/dbraw/zinc/32/54/39/340325439.db2.gz HHCQCLWYFMDRMO-UHFFFAOYSA-N 1 1 300.446 3.718 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1cccc(OC)c1)CC1CCCCC1 ZINC000303504940 340328833 /nfs/dbraw/zinc/32/88/33/340328833.db2.gz ZJJKCPADSXOSOA-UHFFFAOYSA-N 1 1 316.445 3.702 20 30 DHEDMO CC(C)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000303575741 340335186 /nfs/dbraw/zinc/33/51/86/340335186.db2.gz CNYLECZAYHHAGS-CVEARBPZSA-N 1 1 313.445 3.643 20 30 DHEDMO C[C@@H]1CCCCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000512208953 340352351 /nfs/dbraw/zinc/35/23/51/340352351.db2.gz JZPSBYNUIGCUAA-CYBMUJFWSA-N 1 1 319.836 3.805 20 30 DHEDMO CCCC[N@H+](C)CC1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000512415863 340361147 /nfs/dbraw/zinc/36/11/47/340361147.db2.gz PMNZTZCZTSUQRC-UHFFFAOYSA-N 1 1 317.452 3.641 20 30 DHEDMO CCCC[N@@H+](C)CC1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000512415863 340361148 /nfs/dbraw/zinc/36/11/48/340361148.db2.gz PMNZTZCZTSUQRC-UHFFFAOYSA-N 1 1 317.452 3.641 20 30 DHEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000512445115 340361991 /nfs/dbraw/zinc/36/19/91/340361991.db2.gz WNIKFESLLZTAGO-GUYCJALGSA-N 1 1 306.837 3.727 20 30 DHEDMO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000512665887 340371857 /nfs/dbraw/zinc/37/18/57/340371857.db2.gz HVGBSKHZVHWWRK-RDJZCZTQSA-N 1 1 317.452 3.716 20 30 DHEDMO CCOC1CC2(C1)CC[N@H+](CC#Cc1ccccc1Cl)C2 ZINC000512812271 340378718 /nfs/dbraw/zinc/37/87/18/340378718.db2.gz ROVOYAUWIPWMRL-UHFFFAOYSA-N 1 1 303.833 3.583 20 30 DHEDMO CCOC1CC2(C1)CC[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC000512812271 340378719 /nfs/dbraw/zinc/37/87/19/340378719.db2.gz ROVOYAUWIPWMRL-UHFFFAOYSA-N 1 1 303.833 3.583 20 30 DHEDMO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(C#N)s1 ZINC000185633988 340503613 /nfs/dbraw/zinc/50/36/13/340503613.db2.gz JRKYVGLJLSNYND-UHFFFAOYSA-N 1 1 310.426 3.531 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1cnn(CCC)c1)c1ccc(F)c(F)c1 ZINC000187374246 340519458 /nfs/dbraw/zinc/51/94/58/340519458.db2.gz SEFBEACSVVJEIN-QGZVFWFLSA-N 1 1 305.372 3.978 20 30 DHEDMO COc1cccc(OCC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000542324308 341005300 /nfs/dbraw/zinc/00/53/00/341005300.db2.gz XGTSRZNGBAENMX-UHFFFAOYSA-N 1 1 322.408 3.610 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1 ZINC000542626788 341015244 /nfs/dbraw/zinc/01/52/44/341015244.db2.gz LMEQOVVCHUJPJD-NRFANRHFSA-N 1 1 320.436 3.586 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)cc1 ZINC000542626788 341015245 /nfs/dbraw/zinc/01/52/45/341015245.db2.gz LMEQOVVCHUJPJD-NRFANRHFSA-N 1 1 320.436 3.586 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000130416522 341021173 /nfs/dbraw/zinc/02/11/73/341021173.db2.gz FFVYSKYVWBATKJ-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000130416522 341021174 /nfs/dbraw/zinc/02/11/74/341021174.db2.gz FFVYSKYVWBATKJ-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO Cc1c(Cl)cnc(N[C@H]2C[N@@H+](C)Cc3ccccc32)c1C#N ZINC000543206879 341036703 /nfs/dbraw/zinc/03/67/03/341036703.db2.gz DGDYUXICBLVZFX-INIZCTEOSA-N 1 1 312.804 3.514 20 30 DHEDMO Cc1c(Cl)cnc(N[C@H]2C[N@H+](C)Cc3ccccc32)c1C#N ZINC000543206879 341036704 /nfs/dbraw/zinc/03/67/04/341036704.db2.gz DGDYUXICBLVZFX-INIZCTEOSA-N 1 1 312.804 3.514 20 30 DHEDMO C[C@@H](C[N@@H+](C)CC#Cc1ccccc1Cl)c1nccs1 ZINC000543237484 341037488 /nfs/dbraw/zinc/03/74/88/341037488.db2.gz CWWQQUTUALGTBL-ZDUSSCGKSA-N 1 1 304.846 3.884 20 30 DHEDMO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1noc(Cc2ccccc2)n1 ZINC000543543010 341048699 /nfs/dbraw/zinc/04/86/99/341048699.db2.gz CHGCQUPRNAUTDR-CQSZACIVSA-N 1 1 312.417 3.641 20 30 DHEDMO Cc1nn(-c2ccccc2)cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000131164171 341063625 /nfs/dbraw/zinc/06/36/25/341063625.db2.gz RMYOUEOIJQNZQS-UHFFFAOYSA-N 1 1 316.408 3.684 20 30 DHEDMO Cc1nn(-c2ccccc2)cc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000131164171 341063626 /nfs/dbraw/zinc/06/36/26/341063626.db2.gz RMYOUEOIJQNZQS-UHFFFAOYSA-N 1 1 316.408 3.684 20 30 DHEDMO C[N@@H+](Cc1ccc(CC#N)cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000544142736 341072018 /nfs/dbraw/zinc/07/20/18/341072018.db2.gz HNPQPJFKUJQSEB-NRFANRHFSA-N 1 1 319.452 3.853 20 30 DHEDMO COCC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(C)o1 ZINC000544473086 341083597 /nfs/dbraw/zinc/08/35/97/341083597.db2.gz HWYQZUCCHKIBFK-KRWDZBQOSA-N 1 1 317.816 3.960 20 30 DHEDMO CCC[C@H]1CN(CCC(C)(C)C#N)CC[N@H+]1CCC(C)(C)C#N ZINC000131928088 341113634 /nfs/dbraw/zinc/11/36/34/341113634.db2.gz MBIDOYQLPUUEPO-KRWDZBQOSA-N 1 1 318.509 3.652 20 30 DHEDMO CCC[C@H]1C[N@@H+](CCC(C)(C)C#N)CCN1CCC(C)(C)C#N ZINC000131928088 341113636 /nfs/dbraw/zinc/11/36/36/341113636.db2.gz MBIDOYQLPUUEPO-KRWDZBQOSA-N 1 1 318.509 3.652 20 30 DHEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000134221575 341210010 /nfs/dbraw/zinc/21/00/10/341210010.db2.gz REQOQNCKIFVKFT-DJJJIMSYSA-N 1 1 310.372 3.521 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000076737657 341213329 /nfs/dbraw/zinc/21/33/29/341213329.db2.gz MFTAQDYRCYFRLO-HNNXBMFYSA-N 1 1 314.429 3.850 20 30 DHEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000135326359 341236838 /nfs/dbraw/zinc/23/68/38/341236838.db2.gz CUNOAABWVRDXAZ-MAUKXSAKSA-N 1 1 313.445 3.787 20 30 DHEDMO CC1(C)c2ccccc2CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000548774298 341275159 /nfs/dbraw/zinc/27/51/59/341275159.db2.gz KPCLERPYLBYTBM-UHFFFAOYSA-N 1 1 312.457 3.880 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC[C@H](C#N)CCC#N)cc1 ZINC000549191366 341288493 /nfs/dbraw/zinc/28/84/93/341288493.db2.gz NWPWVZGARAFLOL-XLIONFOSSA-N 1 1 324.472 3.594 20 30 DHEDMO C[C@@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]1C ZINC000245409575 341291676 /nfs/dbraw/zinc/29/16/76/341291676.db2.gz MYULOBDBHJSQHD-CVEARBPZSA-N 1 1 323.440 3.858 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](Oc3ccccc3Cl)C2)C1 ZINC000549532266 341296536 /nfs/dbraw/zinc/29/65/36/341296536.db2.gz NNXMRPQDUHJLRI-KFWWJZLASA-N 1 1 304.821 3.875 20 30 DHEDMO Cc1cc(Br)cc2c1C[N@@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000549535927 341296642 /nfs/dbraw/zinc/29/66/42/341296642.db2.gz MDIGQFJHSSGVPJ-DOMZBBRYSA-N 1 1 319.246 3.808 20 30 DHEDMO Cc1cc(Br)cc2c1C[N@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000549535927 341296643 /nfs/dbraw/zinc/29/66/43/341296643.db2.gz MDIGQFJHSSGVPJ-DOMZBBRYSA-N 1 1 319.246 3.808 20 30 DHEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000550541574 341318241 /nfs/dbraw/zinc/31/82/41/341318241.db2.gz WYNNGROJZLFTFE-QGZVFWFLSA-N 1 1 306.494 3.750 20 30 DHEDMO C=CCOc1ccc(C[NH2+]C[C@H](CC)N2CCCC2)cc1Cl ZINC000550616869 341319671 /nfs/dbraw/zinc/31/96/71/341319671.db2.gz KNSSVQNCRWMCSF-INIZCTEOSA-N 1 1 322.880 3.869 20 30 DHEDMO C=CCC(C)(C)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000551248083 341335567 /nfs/dbraw/zinc/33/55/67/341335567.db2.gz LINNJWWWCKJLDO-KRWDZBQOSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CCC(C)(C)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000551342536 341339095 /nfs/dbraw/zinc/33/90/95/341339095.db2.gz DNIZXYNFOWUJJZ-INIZCTEOSA-N 1 1 302.462 3.616 20 30 DHEDMO N#Cc1cccc(C[NH+]2CCC(CC(F)(F)F)CC2)c1F ZINC000551408089 341340931 /nfs/dbraw/zinc/34/09/31/341340931.db2.gz YPMRGNZWHOLCJO-UHFFFAOYSA-N 1 1 300.299 3.862 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000249412994 341397271 /nfs/dbraw/zinc/39/72/71/341397271.db2.gz YJCBYWOEAKKNQL-BPAFIMBUSA-N 1 1 309.457 3.568 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000249412994 341397276 /nfs/dbraw/zinc/39/72/76/341397276.db2.gz YJCBYWOEAKKNQL-BPAFIMBUSA-N 1 1 309.457 3.568 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000249412994 341397277 /nfs/dbraw/zinc/39/72/77/341397277.db2.gz YJCBYWOEAKKNQL-BPAFIMBUSA-N 1 1 309.457 3.568 20 30 DHEDMO C=CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000249583017 341399512 /nfs/dbraw/zinc/39/95/12/341399512.db2.gz RWTLWCOESNQXLQ-IEBWSBKVSA-N 1 1 314.473 3.583 20 30 DHEDMO CC(C)C[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000179938254 519718592 /nfs/dbraw/zinc/71/85/92/519718592.db2.gz AJHKENNBHUQNSV-UHFFFAOYSA-N 1 1 308.429 3.579 20 30 DHEDMO CC1CC[NH+](c2ccc(NCc3cc(C#N)n(C)c3)cc2)CC1 ZINC000191374212 521043710 /nfs/dbraw/zinc/04/37/10/521043710.db2.gz VOWXXBDKBCJGEA-UHFFFAOYSA-N 1 1 308.429 3.745 20 30 DHEDMO CC(C)(C)C1=CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000340191981 534541143 /nfs/dbraw/zinc/54/11/43/534541143.db2.gz OLXLCWGMHLPRMD-UHFFFAOYSA-N 1 1 311.429 3.565 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2c1OCCO2 ZINC000338213063 521682877 /nfs/dbraw/zinc/68/28/77/521682877.db2.gz OOCSTUHXGMYMHO-UHFFFAOYSA-N 1 1 322.408 3.742 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)o1 ZINC000130942630 523020631 /nfs/dbraw/zinc/02/06/31/523020631.db2.gz XXXPPTDRGHPTEC-QGZVFWFLSA-N 1 1 314.360 3.774 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)o1 ZINC000130942630 523020636 /nfs/dbraw/zinc/02/06/36/523020636.db2.gz XXXPPTDRGHPTEC-QGZVFWFLSA-N 1 1 314.360 3.774 20 30 DHEDMO COc1cc2c(cc1OC)C[N@@H+]([C@H](C)c1cccc(C#N)c1)CC2 ZINC000189346123 523033202 /nfs/dbraw/zinc/03/32/02/523033202.db2.gz HVOPSXOXVFUCIS-CQSZACIVSA-N 1 1 322.408 3.695 20 30 DHEDMO COc1cc2c(cc1OC)C[N@H+]([C@H](C)c1cccc(C#N)c1)CC2 ZINC000189346123 523033211 /nfs/dbraw/zinc/03/32/11/523033211.db2.gz HVOPSXOXVFUCIS-CQSZACIVSA-N 1 1 322.408 3.695 20 30 DHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1ccccc1C#N ZINC000339508923 523343773 /nfs/dbraw/zinc/34/37/73/523343773.db2.gz SAYLQBJWRPHDFX-UHFFFAOYSA-N 1 1 307.441 3.558 20 30 DHEDMO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccccc1C#N ZINC000339508923 523343788 /nfs/dbraw/zinc/34/37/88/523343788.db2.gz SAYLQBJWRPHDFX-UHFFFAOYSA-N 1 1 307.441 3.558 20 30 DHEDMO Cn1cc(C[N@@H+](C)CC2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180012490 523490034 /nfs/dbraw/zinc/49/00/34/523490034.db2.gz ACAZDRDGPUCCEF-UHFFFAOYSA-N 1 1 308.429 3.581 20 30 DHEDMO COCC[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)Cc1ccc(C#N)cc1 ZINC000339317269 523750519 /nfs/dbraw/zinc/75/05/19/523750519.db2.gz MKNAJAGOXONGNV-KXBFYZLASA-N 1 1 324.424 3.923 20 30 DHEDMO COCC[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)Cc1ccc(C#N)cc1 ZINC000339317269 523750527 /nfs/dbraw/zinc/75/05/27/523750527.db2.gz MKNAJAGOXONGNV-KXBFYZLASA-N 1 1 324.424 3.923 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000160552176 524759427 /nfs/dbraw/zinc/75/94/27/524759427.db2.gz ZNYIROLPVYQONZ-OAHLLOKOSA-N 1 1 310.372 3.695 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000160552310 524813454 /nfs/dbraw/zinc/81/34/54/524813454.db2.gz ZNYIROLPVYQONZ-HNNXBMFYSA-N 1 1 310.372 3.695 20 30 DHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000118849967 525352058 /nfs/dbraw/zinc/35/20/58/525352058.db2.gz OZDHEXDWYWLJMK-HFTRVMKXSA-N 1 1 311.429 3.540 20 30 DHEDMO C[C@H]([NH2+][C@@H]1c2cccc(F)c2O[C@H]1C)c1ccc(C#N)s1 ZINC000371513660 525590506 /nfs/dbraw/zinc/59/05/06/525590506.db2.gz GXOCKVVOINTKSL-YHAQOWFVSA-N 1 1 302.374 3.932 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000338326892 526066577 /nfs/dbraw/zinc/06/65/77/526066577.db2.gz BPUHNLYUUPKZDR-UWJYYQICSA-N 1 1 320.436 3.645 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)s1 ZINC000179879697 526610093 /nfs/dbraw/zinc/61/00/93/526610093.db2.gz LJOGEOUQCFXNJB-UHFFFAOYSA-N 1 1 310.422 3.715 20 30 DHEDMO C[N@H+]1CC[C@@H](Nc2nc(Cl)c(C#N)s2)[C@@H]1c1ccccc1 ZINC000286562477 536459229 /nfs/dbraw/zinc/45/92/29/536459229.db2.gz QYYSLAQKPGJORX-YPMHNXCESA-N 1 1 318.833 3.525 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000267440507 526736090 /nfs/dbraw/zinc/73/60/90/526736090.db2.gz HYAHMKLCTWYYTA-IAGOWNOFSA-N 1 1 312.438 3.708 20 30 DHEDMO Cc1[nH+]ccn1CCCCNc1c(C#N)cnc2ccccc21 ZINC000266264957 527407777 /nfs/dbraw/zinc/40/77/77/527407777.db2.gz PUBSADFISSVCDG-UHFFFAOYSA-N 1 1 305.385 3.504 20 30 DHEDMO CC(C)[N@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(C#N)cc1 ZINC000299328952 535120342 /nfs/dbraw/zinc/12/03/42/535120342.db2.gz BKHUZMWJNBPOBV-UHFFFAOYSA-N 1 1 322.368 3.612 20 30 DHEDMO CC(C)[N@@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(C#N)cc1 ZINC000299328952 535120345 /nfs/dbraw/zinc/12/03/45/535120345.db2.gz BKHUZMWJNBPOBV-UHFFFAOYSA-N 1 1 322.368 3.612 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC000339904438 1013050431 /nfs/dbraw/zinc/05/04/31/1013050431.db2.gz BAOAZIULOHQPJP-GOSISDBHSA-N 1 1 316.408 3.573 20 30 DHEDMO C=CC[N@H+](CCCCC(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573340957 947523704 /nfs/dbraw/zinc/52/37/04/947523704.db2.gz FKIGIVGFOPNRGN-UHFFFAOYSA-N 1 1 313.449 3.681 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CC1(Br)CC1 ZINC000846782520 1032067498 /nfs/dbraw/zinc/06/74/98/1032067498.db2.gz OXKYOLMFGDKMRH-UHFFFAOYSA-N 1 1 307.235 3.696 20 30 DHEDMO C=CC[N@H+](CCCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001209367521 1013187961 /nfs/dbraw/zinc/18/79/61/1013187961.db2.gz PNPVEHVQKSPZMI-UHFFFAOYSA-N 1 1 318.461 3.980 20 30 DHEDMO N#Cc1csc(C[N@H+](CCCO)Cc2cccc(Cl)c2)c1 ZINC000092063629 1013277502 /nfs/dbraw/zinc/27/75/02/1013277502.db2.gz HHXBBKBKYAGDFZ-UHFFFAOYSA-N 1 1 320.845 3.658 20 30 DHEDMO C=CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C(C)C ZINC001204442503 1013279103 /nfs/dbraw/zinc/27/91/03/1013279103.db2.gz ZPNOZYMCMSBKOT-JKSUJKDBSA-N 1 1 310.482 3.918 20 30 DHEDMO C=CCCCCCC[N@@H+]1CCN(C(=O)c2ccccc2)C[C@H]1C ZINC001209438411 1013282985 /nfs/dbraw/zinc/28/29/85/1013282985.db2.gz KYBOYQLWWPBPIA-GOSISDBHSA-N 1 1 314.473 3.969 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@H+](CC)Cc2ccc(C)cc2)cc1 ZINC001167206368 1013393048 /nfs/dbraw/zinc/39/30/48/1013393048.db2.gz PFTZRLGTBWBJHR-UHFFFAOYSA-N 1 1 320.436 3.827 20 30 DHEDMO C[N@@H+](CC(C)(C)C#N)C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000894608919 1013429290 /nfs/dbraw/zinc/42/92/90/1013429290.db2.gz AWVFFWQUPCHWAU-SFHVURJKSA-N 1 1 323.481 3.505 20 30 DHEDMO CC[C@H](c1ccccc1)[N@@H+](CC)C[C@H](O)CC1(C#N)CCC1 ZINC001167255739 1013452893 /nfs/dbraw/zinc/45/28/93/1013452893.db2.gz LZEALHWNPQGVFE-QZTJIDSGSA-N 1 1 300.446 3.904 20 30 DHEDMO C#C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc(Cl)cc1 ZINC000894793000 1013491653 /nfs/dbraw/zinc/49/16/53/1013491653.db2.gz BQPOSRUBTDMXAK-IBGZPJMESA-N 1 1 311.812 3.877 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)o1 ZINC000610270672 1013552635 /nfs/dbraw/zinc/55/26/35/1013552635.db2.gz XAFOKUVBDWYHRC-UHFFFAOYSA-N 1 1 305.337 3.628 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCCNc1cc(C#N)nc2ccccc21 ZINC000610273505 1013563820 /nfs/dbraw/zinc/56/38/20/1013563820.db2.gz VUJXWAQTQCKNDO-INIZCTEOSA-N 1 1 322.456 3.595 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000538095805 1013607493 /nfs/dbraw/zinc/60/74/93/1013607493.db2.gz BFVITGZXCUJMKM-SFHVURJKSA-N 1 1 314.473 3.888 20 30 DHEDMO C[C@@H](C[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](C)CO)c1ccccc1 ZINC000519837943 1013612069 /nfs/dbraw/zinc/61/20/69/1013612069.db2.gz KARFYRCSZXMEJX-ROUUACIJSA-N 1 1 322.452 3.739 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2nccs2)cc1OC ZINC000106251318 1032073662 /nfs/dbraw/zinc/07/36/62/1032073662.db2.gz NTBHFBHJBBALPQ-LBPRGKRZSA-N 1 1 304.415 3.567 20 30 DHEDMO CCCCOC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000441165907 1013677888 /nfs/dbraw/zinc/67/78/88/1013677888.db2.gz JPRJFIKFUXDTFB-UHFFFAOYSA-N 1 1 305.849 3.973 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+](C2CC2)C2CCCC2)c(C#N)c1C ZINC000177020925 1013698168 /nfs/dbraw/zinc/69/81/68/1013698168.db2.gz OLRLGZCRFYQQHO-UHFFFAOYSA-N 1 1 317.458 3.582 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000441348975 1013724198 /nfs/dbraw/zinc/72/41/98/1013724198.db2.gz RLVAVTUSMCZRGN-YJBOKZPZSA-N 1 1 318.436 3.633 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn(CC2CCC2)c1 ZINC000895017771 1013774804 /nfs/dbraw/zinc/77/48/04/1013774804.db2.gz GPNFJXBCBGIYJA-OAHLLOKOSA-N 1 1 308.429 3.748 20 30 DHEDMO C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328756703 1013795681 /nfs/dbraw/zinc/79/56/81/1013795681.db2.gz UJQIGXOGLRWDOO-SRIISGBFSA-N 1 1 322.493 3.536 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)CCOC(C)C ZINC000349246167 1013809468 /nfs/dbraw/zinc/80/94/68/1013809468.db2.gz WLHBKGYCIQYCAO-ZDUSSCGKSA-N 1 1 317.882 3.566 20 30 DHEDMO CCc1ccccc1CC[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC001167315289 1013824256 /nfs/dbraw/zinc/82/42/56/1013824256.db2.gz WLKYAJNUMXSWEO-UHFFFAOYSA-N 1 1 322.452 3.812 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000441434366 1013827711 /nfs/dbraw/zinc/82/77/11/1013827711.db2.gz JNNLKJMSEJNXBS-QGZVFWFLSA-N 1 1 302.393 3.621 20 30 DHEDMO CC(C)(C)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC#N ZINC000255059206 1013841663 /nfs/dbraw/zinc/84/16/63/1013841663.db2.gz FDVPVGGZBWKNJS-TWGQIWQCSA-N 1 1 301.390 3.870 20 30 DHEDMO CC(C)(C)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC#N ZINC000255059206 1013841674 /nfs/dbraw/zinc/84/16/74/1013841674.db2.gz FDVPVGGZBWKNJS-TWGQIWQCSA-N 1 1 301.390 3.870 20 30 DHEDMO C=CC[N@H+](CCCc1cc(CC)no1)Cc1ccccc1F ZINC000580010455 1013870287 /nfs/dbraw/zinc/87/02/87/1013870287.db2.gz DWDDHVYOVUCLOY-UHFFFAOYSA-N 1 1 302.393 3.997 20 30 DHEDMO Cc1noc2ncc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)cc12 ZINC000895055055 1013876650 /nfs/dbraw/zinc/87/66/50/1013876650.db2.gz HXIKNUHHGOAPSB-CYBMUJFWSA-N 1 1 306.369 3.596 20 30 DHEDMO CC[NH+](CC)Cc1cccc(CNCc2cc(C#N)cs2)c1 ZINC000177686850 1013979230 /nfs/dbraw/zinc/97/92/30/1013979230.db2.gz QOBMIASRGHLYHS-UHFFFAOYSA-N 1 1 313.470 3.751 20 30 DHEDMO CC[C@H]1CCC[N@@H+](C(C)(C)CNCc2cc(C#N)cs2)C1 ZINC000177698965 1013997712 /nfs/dbraw/zinc/99/77/12/1013997712.db2.gz GTRDVMAGQZGZDJ-AWEZNQCLSA-N 1 1 305.491 3.610 20 30 DHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNCc2cc(C#N)cs2)C1 ZINC000177698965 1013997713 /nfs/dbraw/zinc/99/77/13/1013997713.db2.gz GTRDVMAGQZGZDJ-AWEZNQCLSA-N 1 1 305.491 3.610 20 30 DHEDMO CC[C@@H]1CCC[N@@H+](C(C)(C)CNCc2cc(C#N)cs2)C1 ZINC000177698950 1013997522 /nfs/dbraw/zinc/99/75/22/1013997522.db2.gz GTRDVMAGQZGZDJ-CQSZACIVSA-N 1 1 305.491 3.610 20 30 DHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNCc2cc(C#N)cs2)C1 ZINC000177698950 1013997525 /nfs/dbraw/zinc/99/75/25/1013997525.db2.gz GTRDVMAGQZGZDJ-CQSZACIVSA-N 1 1 305.491 3.610 20 30 DHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610370046 1013998563 /nfs/dbraw/zinc/99/85/63/1013998563.db2.gz LXMLICMIDDSTTH-FRFSOERESA-N 1 1 322.412 3.761 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000580087658 1014019316 /nfs/dbraw/zinc/01/93/16/1014019316.db2.gz TVQISTYUASFUSB-LEWJYISDSA-N 1 1 320.436 3.810 20 30 DHEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001253227292 1024393540 /nfs/dbraw/zinc/39/35/40/1024393540.db2.gz GBOHUIVUFHMDEI-LSDHHAIUSA-N 1 1 307.400 3.943 20 30 DHEDMO CCN(Cc1ccc(C#N)o1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000119021821 1014093990 /nfs/dbraw/zinc/09/39/90/1014093990.db2.gz NEYCYKBLSXCBFV-WMZOPIPTSA-N 1 1 323.440 3.809 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000931290852 1032089918 /nfs/dbraw/zinc/08/99/18/1032089918.db2.gz RBTWVZYSDOBFQU-KRWDZBQOSA-N 1 1 315.461 3.752 20 30 DHEDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000441550553 1014327218 /nfs/dbraw/zinc/32/72/18/1014327218.db2.gz SAQUUZQFBJDOHP-INIZCTEOSA-N 1 1 310.401 3.619 20 30 DHEDMO Cc1nc(-c2ccc(C[NH2+]C[C@@H](C#N)CCC#N)s2)cs1 ZINC000567068666 1014328074 /nfs/dbraw/zinc/32/80/74/1014328074.db2.gz YZDOCFUMJXMDKG-GFCCVEGCSA-N 1 1 316.455 3.713 20 30 DHEDMO C[N@@H+]1CC[C@H](NCC#Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000581026316 1014518303 /nfs/dbraw/zinc/51/83/03/1014518303.db2.gz XVONKYGMAYADQS-PMACEKPBSA-N 1 1 324.855 3.727 20 30 DHEDMO C[N@H+]1CC[C@H](NCC#Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000581026316 1014518311 /nfs/dbraw/zinc/51/83/11/1014518311.db2.gz XVONKYGMAYADQS-PMACEKPBSA-N 1 1 324.855 3.727 20 30 DHEDMO C=CCC[C@@H](C(=O)N[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000427809910 1014531299 /nfs/dbraw/zinc/53/12/99/1014531299.db2.gz WRUNAQYIPKNYKY-RBUKOAKNSA-N 1 1 314.473 3.725 20 30 DHEDMO C[N@@H+](CCCNc1nc(Cl)c(C#N)s1)Cc1ccccc1 ZINC000234282746 1014580331 /nfs/dbraw/zinc/58/03/31/1014580331.db2.gz PSPWNZGSSVLVQT-UHFFFAOYSA-N 1 1 320.849 3.602 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(C#N)o3)cc2)C1 ZINC000428190411 1014586928 /nfs/dbraw/zinc/58/69/28/1014586928.db2.gz FHEFLEDIXJSVBN-AWEZNQCLSA-N 1 1 323.396 3.635 20 30 DHEDMO C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@H]1C(=O)OC(C)(C)C ZINC000520805377 1014593528 /nfs/dbraw/zinc/59/35/28/1014593528.db2.gz ZUSCNCDWUUHOJG-HUUCEWRRSA-N 1 1 308.466 3.616 20 30 DHEDMO Cc1cc(Br)cc(C)c1C[NH2+]C[C@@H](C#N)CCC#N ZINC000581269233 1014666039 /nfs/dbraw/zinc/66/60/39/1014666039.db2.gz CNMASKWWYXQPBX-CYBMUJFWSA-N 1 1 320.234 3.599 20 30 DHEDMO Cc1csc(C[C@@H]2CC[N@H+](Cc3cccc(F)c3C#N)C2)n1 ZINC000933125874 1014670933 /nfs/dbraw/zinc/67/09/33/1014670933.db2.gz KQMXWFNKVGANIC-ZDUSSCGKSA-N 1 1 315.417 3.527 20 30 DHEDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3cccc(F)c3C#N)C2)n1 ZINC000933125874 1014670938 /nfs/dbraw/zinc/67/09/38/1014670938.db2.gz KQMXWFNKVGANIC-ZDUSSCGKSA-N 1 1 315.417 3.527 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@H](C)c1cccc(O)c1 ZINC000442799971 1014737362 /nfs/dbraw/zinc/73/73/62/1014737362.db2.gz JJAZHQZEYWRZPJ-CQSZACIVSA-N 1 1 310.397 3.856 20 30 DHEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(OC)c2)c1 ZINC000442808637 1014741346 /nfs/dbraw/zinc/74/13/46/1014741346.db2.gz IBYQONHZPQGWQY-LJQANCHMSA-N 1 1 322.408 3.913 20 30 DHEDMO COc1cc(C[N@H+]2CCCC[C@@H]2c2cccn2C)ccc1C#N ZINC000442884094 1014760986 /nfs/dbraw/zinc/76/09/86/1014760986.db2.gz WVDNXUIQBDBREF-GOSISDBHSA-N 1 1 309.413 3.633 20 30 DHEDMO COc1ccc(C[N@H+]2CCCC[C@H]2c2cccn2C)cc1C#N ZINC000135116448 1014762550 /nfs/dbraw/zinc/76/25/50/1014762550.db2.gz LLGNMQWNTIXLTA-SFHVURJKSA-N 1 1 309.413 3.633 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000442894189 1014764786 /nfs/dbraw/zinc/76/47/86/1014764786.db2.gz BNNIFYSQZGIUAS-BEFAXECRSA-N 1 1 316.408 3.916 20 30 DHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(OC)c2)C1 ZINC000442891023 1014766810 /nfs/dbraw/zinc/76/68/10/1014766810.db2.gz QTOBROVACRQYMN-HOTGVXAUSA-N 1 1 304.459 3.673 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)CCc1ccccc1Br ZINC001167458229 1014779647 /nfs/dbraw/zinc/77/96/47/1014779647.db2.gz SQNFHVBNGCYLHR-UHFFFAOYSA-N 1 1 309.251 3.863 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)c1 ZINC000442970705 1014784257 /nfs/dbraw/zinc/78/42/57/1014784257.db2.gz UMFMVQGMDVYQPB-QZTJIDSGSA-N 1 1 301.430 3.783 20 30 DHEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000487423044 1014792380 /nfs/dbraw/zinc/79/23/80/1014792380.db2.gz VPLFACXBWSBEKZ-CYBMUJFWSA-N 1 1 300.352 3.899 20 30 DHEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000267318357 1014793895 /nfs/dbraw/zinc/79/38/95/1014793895.db2.gz YNQHMYIGVHPGGK-UTKZUKDTSA-N 1 1 319.452 3.558 20 30 DHEDMO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)c1 ZINC000341029050 1014827174 /nfs/dbraw/zinc/82/71/74/1014827174.db2.gz FNHHGIIVOWVKNI-GFCCVEGCSA-N 1 1 314.360 3.565 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC000895310666 1015042544 /nfs/dbraw/zinc/04/25/44/1015042544.db2.gz REAMXNXTQJVSJC-MRXNPFEDSA-N 1 1 307.397 4.000 20 30 DHEDMO C=CCN(CC[N@H+](C)CCc1ccccc1)C(=O)OC(C)(C)C ZINC001207199692 1015081172 /nfs/dbraw/zinc/08/11/72/1015081172.db2.gz QKASUTRAKKQICE-UHFFFAOYSA-N 1 1 318.461 3.584 20 30 DHEDMO CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000581636588 1015101331 /nfs/dbraw/zinc/10/13/31/1015101331.db2.gz GWUKKGZESSDUDH-LBPRGKRZSA-N 1 1 307.825 3.661 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000474149294 1015108466 /nfs/dbraw/zinc/10/84/66/1015108466.db2.gz BBIPVJNRONKBFT-JFIYKMOQSA-N 1 1 320.864 3.804 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000474149294 1015108474 /nfs/dbraw/zinc/10/84/74/1015108474.db2.gz BBIPVJNRONKBFT-JFIYKMOQSA-N 1 1 320.864 3.804 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000625704427 1015158183 /nfs/dbraw/zinc/15/81/83/1015158183.db2.gz SIVKDECYXFUHFJ-LBPRGKRZSA-N 1 1 303.793 3.788 20 30 DHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CCCOc2cccc(C#N)c2)C1 ZINC000477278342 1015178783 /nfs/dbraw/zinc/17/87/83/1015178783.db2.gz GMOPZDOWTSISTA-AEFFLSMTSA-N 1 1 318.486 3.933 20 30 DHEDMO C=C(C)C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2cccc(C)c2)CC1 ZINC000106245119 1015180854 /nfs/dbraw/zinc/18/08/54/1015180854.db2.gz KTLRZEVQWMBDOE-UHFFFAOYSA-N 1 1 324.472 3.515 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2c[nH]nc2-c2cccc(C)c2)CC1 ZINC000106245119 1015180860 /nfs/dbraw/zinc/18/08/60/1015180860.db2.gz KTLRZEVQWMBDOE-UHFFFAOYSA-N 1 1 324.472 3.515 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H](CF)C2)cc1OCCCC#N ZINC000895545525 1015200369 /nfs/dbraw/zinc/20/03/69/1015200369.db2.gz GJHIXSGCFUIZOU-INIZCTEOSA-N 1 1 320.408 3.559 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3csc(C#N)c3)C2)cc1F ZINC000895666527 1015252330 /nfs/dbraw/zinc/25/23/30/1015252330.db2.gz NGRBGXFFQASKIP-AWEZNQCLSA-N 1 1 316.401 3.757 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2csc(C(F)(F)F)c2)CC1 ZINC000895834679 1015327278 /nfs/dbraw/zinc/32/72/78/1015327278.db2.gz OMANYAKSIIYXAT-UHFFFAOYSA-N 1 1 305.365 3.670 20 30 DHEDMO C=CC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000051262522 1015387044 /nfs/dbraw/zinc/38/70/44/1015387044.db2.gz HHYNKHYRKAEGST-UHFFFAOYSA-N 1 1 318.398 3.723 20 30 DHEDMO CC[C@@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(CC#N)cc1 ZINC000542212023 1015393747 /nfs/dbraw/zinc/39/37/47/1015393747.db2.gz BYUCJHJTVYKJRA-OAHLLOKOSA-N 1 1 316.445 3.695 20 30 DHEDMO CC[C@@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(CC#N)cc1 ZINC000542212023 1015393757 /nfs/dbraw/zinc/39/37/57/1015393757.db2.gz BYUCJHJTVYKJRA-OAHLLOKOSA-N 1 1 316.445 3.695 20 30 DHEDMO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3csc(C#N)c3)C2)n1 ZINC000896053712 1015432626 /nfs/dbraw/zinc/43/26/26/1015432626.db2.gz AZDOTQYRKULAAZ-ZDUSSCGKSA-N 1 1 317.483 3.839 20 30 DHEDMO COc1nccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1F ZINC000891624583 1015462136 /nfs/dbraw/zinc/46/21/36/1015462136.db2.gz CGPJPOKXSQKTBH-UHFFFAOYSA-N 1 1 313.376 3.512 20 30 DHEDMO COc1nccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1F ZINC000891624583 1015462143 /nfs/dbraw/zinc/46/21/43/1015462143.db2.gz CGPJPOKXSQKTBH-UHFFFAOYSA-N 1 1 313.376 3.512 20 30 DHEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000135327881 1015481040 /nfs/dbraw/zinc/48/10/40/1015481040.db2.gz XBJVELWGYOHUDL-DZGCQCFKSA-N 1 1 319.474 3.849 20 30 DHEDMO C=CCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000474685801 1015540832 /nfs/dbraw/zinc/54/08/32/1015540832.db2.gz HNTFCQJWAFTVPI-QGZVFWFLSA-N 1 1 318.436 3.510 20 30 DHEDMO C=CCC[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000290892273 1015629511 /nfs/dbraw/zinc/62/95/11/1015629511.db2.gz CGWBLZGGRGCINA-SZMVWBNQSA-N 1 1 300.446 3.540 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cccc(C#N)n1 ZINC000337851437 1015637876 /nfs/dbraw/zinc/63/78/76/1015637876.db2.gz FVTDOLCAAMBOQT-GOSISDBHSA-N 1 1 320.440 3.666 20 30 DHEDMO CCOc1ccc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)nc1 ZINC000610585274 1015645773 /nfs/dbraw/zinc/64/57/73/1015645773.db2.gz JALRXPKNHFHKFY-HNNXBMFYSA-N 1 1 309.413 3.935 20 30 DHEDMO C=CC[NH+]1CCC(N[C@@H](c2cc(F)ccc2F)C(C)C)CC1 ZINC000479069956 1033644969 /nfs/dbraw/zinc/64/49/69/1033644969.db2.gz QZCLSGCBKONIGN-GOSISDBHSA-N 1 1 308.416 3.902 20 30 DHEDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ncc(C(C)(C)C)o1 ZINC000329291538 1015677339 /nfs/dbraw/zinc/67/73/39/1015677339.db2.gz QWJZGKJSYSHWDU-ZDUSSCGKSA-N 1 1 307.438 3.693 20 30 DHEDMO COc1cc(C[N@H+](C)Cc2csc(C#N)c2)ccc1SC ZINC000891849224 1015682354 /nfs/dbraw/zinc/68/23/54/1015682354.db2.gz FWYWFBSGEODSMS-UHFFFAOYSA-N 1 1 318.467 3.982 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2csc(C#N)c2)ccc1SC ZINC000891849224 1015682358 /nfs/dbraw/zinc/68/23/58/1015682358.db2.gz FWYWFBSGEODSMS-UHFFFAOYSA-N 1 1 318.467 3.982 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1C#N ZINC000610657082 1015692002 /nfs/dbraw/zinc/69/20/02/1015692002.db2.gz QHXZGVAKKQNLPP-GJZGRUSLSA-N 1 1 308.429 3.530 20 30 DHEDMO CC[C@H]1CCCC[N@@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000610655638 1015692453 /nfs/dbraw/zinc/69/24/53/1015692453.db2.gz RVKVGTCJRMLTJO-INIZCTEOSA-N 1 1 308.429 3.817 20 30 DHEDMO CC[C@H]1CCCC[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000610655638 1015692457 /nfs/dbraw/zinc/69/24/57/1015692457.db2.gz RVKVGTCJRMLTJO-INIZCTEOSA-N 1 1 308.429 3.817 20 30 DHEDMO SC1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC001140486531 1015698788 /nfs/dbraw/zinc/69/87/88/1015698788.db2.gz UOODFLGJLQYVBJ-UHFFFAOYSA-N 1 1 320.683 3.997 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276871221 1015720925 /nfs/dbraw/zinc/72/09/25/1015720925.db2.gz DSTXUTVYAWKOBV-ILZDJORESA-N 1 1 314.473 3.616 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000610728752 1015749367 /nfs/dbraw/zinc/74/93/67/1015749367.db2.gz HKMLBWXZNDKAMX-LJQANCHMSA-N 1 1 310.372 3.661 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000610728752 1015749372 /nfs/dbraw/zinc/74/93/72/1015749372.db2.gz HKMLBWXZNDKAMX-LJQANCHMSA-N 1 1 310.372 3.661 20 30 DHEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC1(O)CCCC1 ZINC000443878112 1015778853 /nfs/dbraw/zinc/77/88/53/1015778853.db2.gz NGIYFMUYHGWQJP-UHFFFAOYSA-N 1 1 320.436 3.962 20 30 DHEDMO CCCOc1ccc(C[N@H+](CCC#N)C(C)C)cc1OCC ZINC000535795952 1015828194 /nfs/dbraw/zinc/82/81/94/1015828194.db2.gz OBZRUVAWQWDWJK-UHFFFAOYSA-N 1 1 304.434 3.998 20 30 DHEDMO CCCOc1ccc(C[N@@H+](CCC#N)C(C)C)cc1OCC ZINC000535795952 1015828199 /nfs/dbraw/zinc/82/81/99/1015828199.db2.gz OBZRUVAWQWDWJK-UHFFFAOYSA-N 1 1 304.434 3.998 20 30 DHEDMO C[N@H+](Cc1ccnc(C#N)c1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000610992284 1015996916 /nfs/dbraw/zinc/99/69/16/1015996916.db2.gz RHSUQTWTYQHYGX-UYAOXDASSA-N 1 1 321.424 3.553 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2CCCc2ccccc2)ccn1 ZINC000610993835 1015998484 /nfs/dbraw/zinc/99/84/84/1015998484.db2.gz DMLKWKIKBSEFBY-FQEVSTJZSA-N 1 1 305.425 3.941 20 30 DHEDMO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000610993241 1016004940 /nfs/dbraw/zinc/00/49/40/1016004940.db2.gz JTEQRUBJHHNCAN-SFHVURJKSA-N 1 1 309.438 3.552 20 30 DHEDMO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000610993241 1016004950 /nfs/dbraw/zinc/00/49/50/1016004950.db2.gz JTEQRUBJHHNCAN-SFHVURJKSA-N 1 1 309.438 3.552 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)ccn1 ZINC000610993183 1016005184 /nfs/dbraw/zinc/00/51/84/1016005184.db2.gz GZABEDGRBPOFGD-KRWDZBQOSA-N 1 1 316.408 3.814 20 30 DHEDMO C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccnc(C#N)c2)C2CC2)o1 ZINC000610995304 1016007149 /nfs/dbraw/zinc/00/71/49/1016007149.db2.gz JRQNZANHHAFISW-FZKQIMNGSA-N 1 1 307.397 3.834 20 30 DHEDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccnc(C#N)c2)C2CC2)o1 ZINC000610995304 1016007159 /nfs/dbraw/zinc/00/71/59/1016007159.db2.gz JRQNZANHHAFISW-FZKQIMNGSA-N 1 1 307.397 3.834 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cn2ccnc2s1 ZINC000892201978 1016419276 /nfs/dbraw/zinc/41/92/76/1016419276.db2.gz OKOGITQTCUMNBI-IRXDYDNUSA-N 1 1 322.437 3.668 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cn2ccnc2s1 ZINC000892201978 1016419280 /nfs/dbraw/zinc/41/92/80/1016419280.db2.gz OKOGITQTCUMNBI-IRXDYDNUSA-N 1 1 322.437 3.668 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000346578000 1016463122 /nfs/dbraw/zinc/46/31/22/1016463122.db2.gz WUFRATXZMTUIFB-HXUWFJFHSA-N 1 1 304.393 3.580 20 30 DHEDMO Cc1ccccc1C[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075589444 1016493214 /nfs/dbraw/zinc/49/32/14/1016493214.db2.gz SGKNDIODZJWARR-UHFFFAOYSA-N 1 1 318.380 3.549 20 30 DHEDMO Cc1ccccc1C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075589444 1016493223 /nfs/dbraw/zinc/49/32/23/1016493223.db2.gz SGKNDIODZJWARR-UHFFFAOYSA-N 1 1 318.380 3.549 20 30 DHEDMO C[C@@H]1C[C@@H](CCNc2cccnc2C#N)C[N@H+]1Cc1ccccc1 ZINC000582214113 1016504014 /nfs/dbraw/zinc/50/40/14/1016504014.db2.gz UTBOVXGCUQKRGG-SJLPKXTDSA-N 1 1 320.440 3.666 20 30 DHEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2csc(C#N)c2)C1 ZINC000892224229 1016512575 /nfs/dbraw/zinc/51/25/75/1016512575.db2.gz CGQGUSPVWCJFGI-ZDUSSCGKSA-N 1 1 320.458 3.564 20 30 DHEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000892224229 1016512603 /nfs/dbraw/zinc/51/26/03/1016512603.db2.gz CGQGUSPVWCJFGI-ZDUSSCGKSA-N 1 1 320.458 3.564 20 30 DHEDMO N#CCSCCC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000072513617 1016522465 /nfs/dbraw/zinc/52/24/65/1016522465.db2.gz NYIXTAPMKZBJRW-GOSISDBHSA-N 1 1 311.454 3.540 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)o1 ZINC000342474060 1016558331 /nfs/dbraw/zinc/55/83/31/1016558331.db2.gz ZXHUMVWYHSTQNY-SFHVURJKSA-N 1 1 310.397 3.829 20 30 DHEDMO COC1CCC(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000892246708 1016574116 /nfs/dbraw/zinc/57/41/16/1016574116.db2.gz ZGCZBXRIFGKEKK-UHFFFAOYSA-N 1 1 310.441 3.853 20 30 DHEDMO C[C@H]([NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000540706899 1016600810 /nfs/dbraw/zinc/60/08/10/1016600810.db2.gz JKGUYEDBTQUBEO-VCBZYWHSSA-N 1 1 317.452 3.858 20 30 DHEDMO N#CCCOCC[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000590162414 1038594703 /nfs/dbraw/zinc/59/47/03/1038594703.db2.gz RQENJPHPMQGMQR-HNNXBMFYSA-N 1 1 323.234 3.516 20 30 DHEDMO COc1cc(C[NH2+]Cc2nc(C(C)(C)C)cs2)ccc1C#N ZINC000281693060 1016671349 /nfs/dbraw/zinc/67/13/49/1016671349.db2.gz NFLMETJIVFAXKJ-UHFFFAOYSA-N 1 1 315.442 3.611 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000127566536 1016683839 /nfs/dbraw/zinc/68/38/39/1016683839.db2.gz ASIGUGPAEJZPCH-QAPCUYQASA-N 1 1 316.408 3.584 20 30 DHEDMO Cc1cc(NC2CCC(Oc3ccccc3C#N)CC2)nc(C)[nH+]1 ZINC000347195485 1016789043 /nfs/dbraw/zinc/78/90/43/1016789043.db2.gz ZQDMNPWMYWSLSI-UHFFFAOYSA-N 1 1 322.412 3.767 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)nc1 ZINC000563365949 1016799093 /nfs/dbraw/zinc/79/90/93/1016799093.db2.gz FPZVEMNABZNPIE-LJQANCHMSA-N 1 1 303.409 3.723 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000072691106 1016818857 /nfs/dbraw/zinc/81/88/57/1016818857.db2.gz SZWCQFMDKKUUHF-UHFFFAOYSA-N 1 1 323.387 3.555 20 30 DHEDMO C=CCCn1cc(C[NH2+]Cc2ccc(C)c3ccccc23)nn1 ZINC000657490091 1017020508 /nfs/dbraw/zinc/02/05/08/1017020508.db2.gz DNEHTXWHCKQHGB-UHFFFAOYSA-N 1 1 306.413 3.606 20 30 DHEDMO C=CC[NH+]1CCC(NCc2csc(C(F)(F)F)c2)CC1 ZINC000623407526 1017026183 /nfs/dbraw/zinc/02/61/83/1017026183.db2.gz KBPKPQIUUVBZMI-UHFFFAOYSA-N 1 1 304.381 3.507 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000186251665 1017061603 /nfs/dbraw/zinc/06/16/03/1017061603.db2.gz BFBWQQLCSWCJEL-OAQYLSRUSA-N 1 1 320.436 3.739 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000186246680 1017063535 /nfs/dbraw/zinc/06/35/35/1017063535.db2.gz XVHMQZUOEFIXMV-OXQOHEQNSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000186246680 1017063551 /nfs/dbraw/zinc/06/35/51/1017063551.db2.gz XVHMQZUOEFIXMV-OXQOHEQNSA-N 1 1 306.409 3.829 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000847024432 1032181927 /nfs/dbraw/zinc/18/19/27/1032181927.db2.gz IVOSKPJEBXMPDG-KRWDZBQOSA-N 1 1 306.409 3.506 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@H+]2CCCC2CCCCC2)C1=O ZINC001275764088 1032193283 /nfs/dbraw/zinc/19/32/83/1032193283.db2.gz ZTXDGNOIORPFCY-IBGZPJMESA-N 1 1 304.478 3.600 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C3CCCC3)C2)cc1 ZINC001171330390 1032391128 /nfs/dbraw/zinc/39/11/28/1032391128.db2.gz AQXDSSMBMVDVHT-SFHVURJKSA-N 1 1 310.441 3.509 20 30 DHEDMO C=CCOc1ccccc1CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000537632416 1032395051 /nfs/dbraw/zinc/39/50/51/1032395051.db2.gz UCSLYXSKCATKCP-SFHVURJKSA-N 1 1 302.462 3.558 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C)C[C@H]2CCCCO2)ccc1OC ZINC000092428917 1032494434 /nfs/dbraw/zinc/49/44/34/1032494434.db2.gz IHXFCCFJKZVRMU-QGZVFWFLSA-N 1 1 319.445 3.651 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc([S@](C)=O)cc1 ZINC000092505713 1032501430 /nfs/dbraw/zinc/50/14/30/1032501430.db2.gz FQUVIUOSVSSPIU-JOCHJYFZSA-N 1 1 313.466 3.655 20 30 DHEDMO CC[N@@H+](CCOc1cccc(C#N)c1)CCOc1ccccc1C ZINC001171353184 1032511798 /nfs/dbraw/zinc/51/17/98/1032511798.db2.gz LAZJLMWHBNVHCY-UHFFFAOYSA-N 1 1 324.424 3.646 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171366140 1032517544 /nfs/dbraw/zinc/51/75/44/1032517544.db2.gz KVUBJMMCPSAHGX-GOSISDBHSA-N 1 1 324.374 3.752 20 30 DHEDMO C[C@@H](CC#N)[N@H+](C)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000093090534 1032521912 /nfs/dbraw/zinc/52/19/12/1032521912.db2.gz OTQIADNBIAVIMF-LBPRGKRZSA-N 1 1 322.334 3.625 20 30 DHEDMO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000093090534 1032521919 /nfs/dbraw/zinc/52/19/19/1032521919.db2.gz OTQIADNBIAVIMF-LBPRGKRZSA-N 1 1 322.334 3.625 20 30 DHEDMO CC(C)(C)C[N@H+](CCC#N)Cc1c[nH]nc1-c1ccccc1F ZINC000093101193 1032522008 /nfs/dbraw/zinc/52/20/08/1032522008.db2.gz LTWJIHQUGQVRPB-UHFFFAOYSA-N 1 1 314.408 3.978 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccccc1F ZINC000093101193 1032522017 /nfs/dbraw/zinc/52/20/17/1032522017.db2.gz LTWJIHQUGQVRPB-UHFFFAOYSA-N 1 1 314.408 3.978 20 30 DHEDMO CCOc1ccc(C[N@H+](CCC#N)CCC(C)C)cc1OC ZINC000093100942 1032522576 /nfs/dbraw/zinc/52/25/76/1032522576.db2.gz WXSVPMRLVDUKNG-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO CCOc1ccc(C[N@@H+](CCC#N)CCC(C)C)cc1OC ZINC000093100942 1032522580 /nfs/dbraw/zinc/52/25/80/1032522580.db2.gz WXSVPMRLVDUKNG-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO C[C@H](CC#N)[N@H+](C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000093090815 1032523027 /nfs/dbraw/zinc/52/30/27/1032523027.db2.gz HTFCYJVZGFJNSE-OAHLLOKOSA-N 1 1 304.397 3.759 20 30 DHEDMO C[C@H](CC#N)[N@@H+](C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000093090815 1032523032 /nfs/dbraw/zinc/52/30/32/1032523032.db2.gz HTFCYJVZGFJNSE-OAHLLOKOSA-N 1 1 304.397 3.759 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1C ZINC000093480791 1032541185 /nfs/dbraw/zinc/54/11/85/1032541185.db2.gz SLPBAYXAEILNMN-SJORKVTESA-N 1 1 322.456 3.942 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC001171399644 1032582573 /nfs/dbraw/zinc/58/25/73/1032582573.db2.gz LJDLPZXOICLMJV-GFCCVEGCSA-N 1 1 313.332 3.799 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC001171399644 1032582580 /nfs/dbraw/zinc/58/25/80/1032582580.db2.gz LJDLPZXOICLMJV-GFCCVEGCSA-N 1 1 313.332 3.799 20 30 DHEDMO Fc1ccc(Br)c(C[NH2+]CC#Cc2ccccc2)c1 ZINC000051814207 1017100916 /nfs/dbraw/zinc/10/09/16/1017100916.db2.gz RRVKWSLYRXCSPD-UHFFFAOYSA-N 1 1 318.189 3.730 20 30 DHEDMO C=C(C)C(C)(C)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000424666046 1012084123 /nfs/dbraw/zinc/08/41/23/1012084123.db2.gz OLYLSIBMBHBUKD-UHFFFAOYSA-N 1 1 302.462 3.745 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000424699264 1012110497 /nfs/dbraw/zinc/11/04/97/1012110497.db2.gz BJZSNLGJAYPPQP-SJLPKXTDSA-N 1 1 314.473 3.758 20 30 DHEDMO C=C(C)CC[N@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000274772822 1012455963 /nfs/dbraw/zinc/45/59/63/1012455963.db2.gz NEACEOLMQUXLJL-UHFFFAOYSA-N 1 1 314.351 3.932 20 30 DHEDMO Cc1noc(C)c1CC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000339584811 1012465017 /nfs/dbraw/zinc/46/50/17/1012465017.db2.gz PZEAFPZAYOHBFW-UHFFFAOYSA-N 1 1 311.429 3.864 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc(C(C)(C)C)nc1 ZINC000425364452 1012488458 /nfs/dbraw/zinc/48/84/58/1012488458.db2.gz GPSWAGSBBYZMLI-AWEZNQCLSA-N 1 1 308.429 3.839 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc(C(C)(C)C)nc1 ZINC000425364452 1012488464 /nfs/dbraw/zinc/48/84/64/1012488464.db2.gz GPSWAGSBBYZMLI-AWEZNQCLSA-N 1 1 308.429 3.839 20 30 DHEDMO C=CC[C@H](C)C(=O)N1CC2(C1)CC[N@H+](C[C@H](CC)CCCC)C2 ZINC001269959216 1012511330 /nfs/dbraw/zinc/51/13/30/1012511330.db2.gz BTFRSBUCTQDXFJ-ZWKOTPCHSA-N 1 1 320.521 3.949 20 30 DHEDMO CCCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000514974759 1012520882 /nfs/dbraw/zinc/52/08/82/1012520882.db2.gz JKSKOSBTPHMROG-QAPCUYQASA-N 1 1 313.445 3.564 20 30 DHEDMO CCN(C(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000425529389 1012734204 /nfs/dbraw/zinc/73/42/04/1012734204.db2.gz BNPSPNOFDNGIQI-MRXNPFEDSA-N 1 1 321.424 3.604 20 30 DHEDMO CCN(C(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000425529389 1012734219 /nfs/dbraw/zinc/73/42/19/1012734219.db2.gz BNPSPNOFDNGIQI-MRXNPFEDSA-N 1 1 321.424 3.604 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000425529208 1012735701 /nfs/dbraw/zinc/73/57/01/1012735701.db2.gz AYJOPNZZNMAQJT-MRXNPFEDSA-N 1 1 319.408 3.892 20 30 DHEDMO COC(=O)c1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cs1 ZINC000425529376 1012736148 /nfs/dbraw/zinc/73/61/48/1012736148.db2.gz BKXIXRBNWDLKMG-GFCCVEGCSA-N 1 1 314.410 3.599 20 30 DHEDMO COC(=O)c1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cs1 ZINC000425529376 1012736163 /nfs/dbraw/zinc/73/61/63/1012736163.db2.gz BKXIXRBNWDLKMG-GFCCVEGCSA-N 1 1 314.410 3.599 20 30 DHEDMO C=CCC[N@H+](C)Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000348419272 1032681259 /nfs/dbraw/zinc/68/12/59/1032681259.db2.gz VQPWRQFTMIEQBR-UHFFFAOYSA-N 1 1 309.335 3.899 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccn(CC)n2)cc1 ZINC000840837657 1017146370 /nfs/dbraw/zinc/14/63/70/1017146370.db2.gz KQFHVXIIIGAGGP-AWEZNQCLSA-N 1 1 319.836 3.885 20 30 DHEDMO CCCC[N@@H+](CC)Cc1cccc(CNc2cnc(C#N)cn2)c1 ZINC000127144214 1017262040 /nfs/dbraw/zinc/26/20/40/1017262040.db2.gz KWBVAFWJXAZBFU-UHFFFAOYSA-N 1 1 323.444 3.582 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1)Cc1ccc(OC)cc1 ZINC000054272471 1017288106 /nfs/dbraw/zinc/28/81/06/1017288106.db2.gz PJRUYKHXZFEKCO-UHFFFAOYSA-N 1 1 324.424 3.712 20 30 DHEDMO Cn1c2ccc(NCc3ccc(C#N)s3)cc2[nH+]c1C1CC1 ZINC000125169950 1032692807 /nfs/dbraw/zinc/69/28/07/1032692807.db2.gz FPTFGGYOLXPXKL-UHFFFAOYSA-N 1 1 308.410 3.996 20 30 DHEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075767287 1017361637 /nfs/dbraw/zinc/36/16/37/1017361637.db2.gz XALJPBBYEXPPKW-ZIAGYGMSSA-N 1 1 310.401 3.619 20 30 DHEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075767288 1017363938 /nfs/dbraw/zinc/36/39/38/1017363938.db2.gz XALJPBBYEXPPKW-UONOGXRCSA-N 1 1 310.401 3.619 20 30 DHEDMO C[C@H](Cc1cccs1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC001167608242 1017437023 /nfs/dbraw/zinc/43/70/23/1017437023.db2.gz KKCJFMZCGQSZEP-OAHLLOKOSA-N 1 1 306.475 3.711 20 30 DHEDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444602208 1017587877 /nfs/dbraw/zinc/58/78/77/1017587877.db2.gz YZTJJIIWHBWDHC-DLBZAZTESA-N 1 1 321.509 3.723 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000444666491 1017618573 /nfs/dbraw/zinc/61/85/73/1017618573.db2.gz WSHYZHRJHWAIBQ-IBGZPJMESA-N 1 1 314.473 3.980 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H]2CCCc3scnc32)cc1 ZINC000623981755 1017620853 /nfs/dbraw/zinc/62/08/53/1017620853.db2.gz SOGYKDLQXDSGMZ-HNNXBMFYSA-N 1 1 300.427 3.875 20 30 DHEDMO CC[C@H](O)C[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000444682405 1017628912 /nfs/dbraw/zinc/62/89/12/1017628912.db2.gz TZXPGNRSQPOGAM-SFHVURJKSA-N 1 1 302.462 3.980 20 30 DHEDMO FC(F)(F)C[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000444691634 1017633833 /nfs/dbraw/zinc/63/38/33/1017633833.db2.gz KCBQYGFOOPHPNQ-ZDUSSCGKSA-N 1 1 301.739 3.966 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2csc(NC(C)=O)n2)CCCC1(C)C ZINC000444777552 1017675961 /nfs/dbraw/zinc/67/59/61/1017675961.db2.gz GHBNAQNYWNHMPC-AWEZNQCLSA-N 1 1 307.463 3.668 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2csc(NC(C)=O)n2)CCCC1(C)C ZINC000444777552 1017675967 /nfs/dbraw/zinc/67/59/67/1017675967.db2.gz GHBNAQNYWNHMPC-AWEZNQCLSA-N 1 1 307.463 3.668 20 30 DHEDMO C=CC[C@@H]1[N@@H+](CCCCCS(=O)(=O)CC)CCCC1(C)C ZINC000444778557 1017677189 /nfs/dbraw/zinc/67/71/89/1017677189.db2.gz JDQUAFNDJQRASH-INIZCTEOSA-N 1 1 315.523 3.658 20 30 DHEDMO C=CCCCCCN(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000523565202 1017735932 /nfs/dbraw/zinc/73/59/32/1017735932.db2.gz OAVWAXKRSJMDAG-QGZVFWFLSA-N 1 1 323.525 3.885 20 30 DHEDMO N#Cc1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(C(F)(F)F)c1 ZINC000091479646 1017750515 /nfs/dbraw/zinc/75/05/15/1017750515.db2.gz AQOKTBRIDSWCPW-LBPRGKRZSA-N 1 1 320.318 3.684 20 30 DHEDMO Cc1cccc2c1ncc(C#N)c2N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091480213 1017753720 /nfs/dbraw/zinc/75/37/20/1017753720.db2.gz ADZYAILCEHSFCX-AWEZNQCLSA-N 1 1 317.396 3.522 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000625702974 1017783085 /nfs/dbraw/zinc/78/30/85/1017783085.db2.gz KGRKBKNBLXCZKQ-MRXNPFEDSA-N 1 1 300.446 3.955 20 30 DHEDMO N#Cc1cccc(OCC[N@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000523791678 1017794224 /nfs/dbraw/zinc/79/42/24/1017794224.db2.gz LTRXUBSVUAHHHT-LJQANCHMSA-N 1 1 324.449 3.727 20 30 DHEDMO N#Cc1ccc(OCC[N@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000523791202 1017794717 /nfs/dbraw/zinc/79/47/17/1017794717.db2.gz PZAKAOWTROXNNU-LJQANCHMSA-N 1 1 324.449 3.727 20 30 DHEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC001171489293 1032729035 /nfs/dbraw/zinc/72/90/35/1032729035.db2.gz GFNNIEMIFAOVGK-GJZGRUSLSA-N 1 1 318.848 3.711 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001171489310 1032730129 /nfs/dbraw/zinc/73/01/29/1032730129.db2.gz HAJDSUCOUXSENP-OAHLLOKOSA-N 1 1 316.401 3.617 20 30 DHEDMO CC1CCC([N@H+](CCC#N)Cc2ccc3c(c2)OCO3)CC1 ZINC000343006019 1017977038 /nfs/dbraw/zinc/97/70/38/1017977038.db2.gz IRWFBDXOTKLYIY-UHFFFAOYSA-N 1 1 300.402 3.710 20 30 DHEDMO CC1CCC([N@@H+](CCC#N)Cc2ccc3c(c2)OCO3)CC1 ZINC000343006019 1017977049 /nfs/dbraw/zinc/97/70/49/1017977049.db2.gz IRWFBDXOTKLYIY-UHFFFAOYSA-N 1 1 300.402 3.710 20 30 DHEDMO C=CCC[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1ccco1 ZINC000658082303 1018048516 /nfs/dbraw/zinc/04/85/16/1018048516.db2.gz JDHQHLRKNOTWKG-LBPRGKRZSA-N 1 1 311.307 3.886 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c1 ZINC000858010990 1032741760 /nfs/dbraw/zinc/74/17/60/1032741760.db2.gz IQLJARYIBUMDPK-LJQANCHMSA-N 1 1 324.424 3.608 20 30 DHEDMO N#CC1(c2ccccc2)CC[NH+](Cc2c(O)cccc2F)CC1 ZINC001137831939 1018142623 /nfs/dbraw/zinc/14/26/23/1018142623.db2.gz TZUVMWHPUUUKPJ-UHFFFAOYSA-N 1 1 310.372 3.589 20 30 DHEDMO CC(C)n1cnnc1[C@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000245416843 1018151076 /nfs/dbraw/zinc/15/10/76/1018151076.db2.gz FMJRAWAAJKSENU-QAPCUYQASA-N 1 1 323.444 3.671 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(C#N)ccc1OC ZINC000446762260 1018239421 /nfs/dbraw/zinc/23/94/21/1018239421.db2.gz OPRFOMOXJQDKBY-UHFFFAOYSA-N 1 1 322.408 3.764 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(C#N)ccc1OC ZINC000446762260 1018239434 /nfs/dbraw/zinc/23/94/34/1018239434.db2.gz OPRFOMOXJQDKBY-UHFFFAOYSA-N 1 1 322.408 3.764 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000155134029 1018243422 /nfs/dbraw/zinc/24/34/22/1018243422.db2.gz OOMMYVLCAZBIAU-LBPRGKRZSA-N 1 1 314.351 3.930 20 30 DHEDMO CCCC[N@@H+](CCC#N)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171542576 1032755990 /nfs/dbraw/zinc/75/59/90/1032755990.db2.gz ULVQMYVVLYLFIK-ZDUSSCGKSA-N 1 1 310.363 3.977 20 30 DHEDMO CC#CC[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000525633675 1018343267 /nfs/dbraw/zinc/34/32/67/1018343267.db2.gz MBHVNUXOUCZVSM-UHFFFAOYSA-N 1 1 315.420 3.994 20 30 DHEDMO CC[NH+](CC)Cc1ccccc1CNCc1csc(C#N)c1 ZINC000921511153 1018356773 /nfs/dbraw/zinc/35/67/73/1018356773.db2.gz CFJVLCAEXRIBLH-UHFFFAOYSA-N 1 1 313.470 3.751 20 30 DHEDMO C#CC1CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC001137527856 1018358918 /nfs/dbraw/zinc/35/89/18/1018358918.db2.gz YUIYKBWOTKFNBN-UHFFFAOYSA-N 1 1 312.638 3.948 20 30 DHEDMO CC[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000447551992 1018410233 /nfs/dbraw/zinc/41/02/33/1018410233.db2.gz SBJKUWCXAWBAJX-FQEVSTJZSA-N 1 1 316.408 3.985 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000246296198 1018447103 /nfs/dbraw/zinc/44/71/03/1018447103.db2.gz DWBBOEFRRCHATA-AUUYWEPGSA-N 1 1 310.372 3.832 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000246296198 1018447114 /nfs/dbraw/zinc/44/71/14/1018447114.db2.gz DWBBOEFRRCHATA-AUUYWEPGSA-N 1 1 310.372 3.832 20 30 DHEDMO Cc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1Br ZINC000526083122 1018453555 /nfs/dbraw/zinc/45/35/55/1018453555.db2.gz WJOIKTHRXVYWRS-LLVKDONJSA-N 1 1 307.235 3.882 20 30 DHEDMO Cc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1Br ZINC000526083122 1018453559 /nfs/dbraw/zinc/45/35/59/1018453559.db2.gz WJOIKTHRXVYWRS-LLVKDONJSA-N 1 1 307.235 3.882 20 30 DHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccncc2Cl)c1 ZINC000858136945 1032778525 /nfs/dbraw/zinc/77/85/25/1032778525.db2.gz AHQLWYFWOVIZHN-OAHLLOKOSA-N 1 1 315.804 3.706 20 30 DHEDMO CC[N@H+](Cc1ccoc1C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000060477389 1018772397 /nfs/dbraw/zinc/77/23/97/1018772397.db2.gz OLSXNEUGSRSELM-ZDUSSCGKSA-N 1 1 312.369 3.521 20 30 DHEDMO CC[N@@H+](Cc1ccoc1C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000060477389 1018772413 /nfs/dbraw/zinc/77/24/13/1018772413.db2.gz OLSXNEUGSRSELM-ZDUSSCGKSA-N 1 1 312.369 3.521 20 30 DHEDMO CC[NH+](CC)Cc1ccc(CNCc2csc(C#N)c2)cc1 ZINC000921514426 1018810359 /nfs/dbraw/zinc/81/03/59/1018810359.db2.gz YWQFBYJQRVPTPI-UHFFFAOYSA-N 1 1 313.470 3.751 20 30 DHEDMO N#Cc1cc(F)c(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000109810490 1018812989 /nfs/dbraw/zinc/81/29/89/1018812989.db2.gz SUWZVQBULCMRIU-HNNXBMFYSA-N 1 1 313.351 3.523 20 30 DHEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2CC2CCCC2)c1 ZINC001171631593 1032794051 /nfs/dbraw/zinc/79/40/51/1032794051.db2.gz NPDBNKXVCUSEOM-SFHVURJKSA-N 1 1 311.429 3.541 20 30 DHEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171611879 1032798985 /nfs/dbraw/zinc/79/89/85/1032798985.db2.gz DEWGKOBOYMODFJ-GJZGRUSLSA-N 1 1 310.482 3.918 20 30 DHEDMO CC(C)(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000307772494 1018978430 /nfs/dbraw/zinc/97/84/30/1018978430.db2.gz IOGDEVZIZDCWHC-HNNXBMFYSA-N 1 1 313.445 3.645 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000584247716 1019050129 /nfs/dbraw/zinc/05/01/29/1019050129.db2.gz GJIUQFTYKBBBSZ-KRWDZBQOSA-N 1 1 310.372 3.566 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000785438747 1019063159 /nfs/dbraw/zinc/06/31/59/1019063159.db2.gz IFWAQIQPGHHOJF-CYBMUJFWSA-N 1 1 310.463 3.649 20 30 DHEDMO C[N@@H+](Cc1c[nH]nc1-c1cccs1)Cc1cccc(C#N)c1 ZINC000130756693 1019071666 /nfs/dbraw/zinc/07/16/66/1019071666.db2.gz OUKGCVZLAVQMPX-UHFFFAOYSA-N 1 1 308.410 3.642 20 30 DHEDMO N#Cc1cc(Cl)ccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309652080 1019101262 /nfs/dbraw/zinc/10/12/62/1019101262.db2.gz ANBKKLQIELMZSD-QGZVFWFLSA-N 1 1 311.816 3.898 20 30 DHEDMO C[C@H]([NH2+]Cc1cc(C#N)ccn1)c1ccc(F)cc1OC(F)F ZINC001168563942 1019193393 /nfs/dbraw/zinc/19/33/93/1019193393.db2.gz QZYARJWIVAIRJO-JTQLQIEISA-N 1 1 321.302 3.545 20 30 DHEDMO C=C(C)C[N@H+](CC)CC1(COc2cccc(COC)c2)CC1 ZINC000477351167 1032823150 /nfs/dbraw/zinc/82/31/50/1032823150.db2.gz KJEIRLGBYFBCKG-UHFFFAOYSA-N 1 1 303.446 3.890 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCCC[C@H]2CCc2ccccc2)ccn1 ZINC000611181080 1019408633 /nfs/dbraw/zinc/40/86/33/1019408633.db2.gz XIWYWRFNROPYLJ-FQEVSTJZSA-N 1 1 305.425 3.941 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000611235890 1019416258 /nfs/dbraw/zinc/41/62/58/1019416258.db2.gz MXJWPOUDTGMENT-SFHVURJKSA-N 1 1 308.381 3.610 20 30 DHEDMO CN(C)c1cccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000611245312 1019422011 /nfs/dbraw/zinc/42/20/11/1019422011.db2.gz HHEAKIXSMFDDDJ-UHFFFAOYSA-N 1 1 317.436 3.914 20 30 DHEDMO CC[N@@H+](Cc1ccc(N(C)C)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000611256429 1019423612 /nfs/dbraw/zinc/42/36/12/1019423612.db2.gz OFTNRLBMQXAFLF-HNNXBMFYSA-N 1 1 308.429 3.602 20 30 DHEDMO N#CCCCOc1cccc(C[N@@H+]2CCOc3ccccc3C2)c1 ZINC000611262804 1019424946 /nfs/dbraw/zinc/42/49/46/1019424946.db2.gz BHLWTKYVOBEQQL-UHFFFAOYSA-N 1 1 322.408 3.764 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCOc3ccccc3C2)c1 ZINC000611262804 1019424949 /nfs/dbraw/zinc/42/49/49/1019424949.db2.gz BHLWTKYVOBEQQL-UHFFFAOYSA-N 1 1 322.408 3.764 20 30 DHEDMO CC1(C)C[N@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccccc1 ZINC000611264932 1019428992 /nfs/dbraw/zinc/42/89/92/1019428992.db2.gz POMOROWICJGGHC-IBGZPJMESA-N 1 1 316.408 3.789 20 30 DHEDMO CC1(C)C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccccc1 ZINC000611264932 1019428996 /nfs/dbraw/zinc/42/89/96/1019428996.db2.gz POMOROWICJGGHC-IBGZPJMESA-N 1 1 316.408 3.789 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]([C@@H](C)C2CC2)C2CC2)c1C#N ZINC000611346007 1019452704 /nfs/dbraw/zinc/45/27/04/1019452704.db2.gz FDWOKBFREFHLEH-HNNXBMFYSA-N 1 1 320.440 3.815 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]([C@@H](C)C2CC2)C2CC2)c1C#N ZINC000611346007 1019452714 /nfs/dbraw/zinc/45/27/14/1019452714.db2.gz FDWOKBFREFHLEH-HNNXBMFYSA-N 1 1 320.440 3.815 20 30 DHEDMO CC[C@]1(C)CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000611347536 1019455368 /nfs/dbraw/zinc/45/53/68/1019455368.db2.gz FXONPTSOWPEABE-LJQANCHMSA-N 1 1 308.429 3.674 20 30 DHEDMO CC[C@]1(C)CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000611347536 1019455374 /nfs/dbraw/zinc/45/53/74/1019455374.db2.gz FXONPTSOWPEABE-LJQANCHMSA-N 1 1 308.429 3.674 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000611462529 1019488240 /nfs/dbraw/zinc/48/82/40/1019488240.db2.gz IFCGORHUBOTTRE-DTORHVGOSA-N 1 1 302.262 3.599 20 30 DHEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1cccc(Cl)c1 ZINC000154161857 1019488503 /nfs/dbraw/zinc/48/85/03/1019488503.db2.gz BZGMJMMSIMJEDE-UHFFFAOYSA-N 1 1 324.815 3.881 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3nc4c(s3)CCCC4)CC2)c1 ZINC000611454160 1019490845 /nfs/dbraw/zinc/49/08/45/1019490845.db2.gz VFGVQMIETRDDCS-UHFFFAOYSA-N 1 1 309.438 3.672 20 30 DHEDMO COc1nc(C)cc(C)c1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000611465622 1019492229 /nfs/dbraw/zinc/49/22/29/1019492229.db2.gz JMARNOZDHMFFBW-CYBMUJFWSA-N 1 1 313.376 3.569 20 30 DHEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000611554342 1019515019 /nfs/dbraw/zinc/51/50/19/1019515019.db2.gz MCUDDCPWCAOSRA-ZWNOBZJWSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)cc1F ZINC000611554342 1019515026 /nfs/dbraw/zinc/51/50/26/1019515026.db2.gz MCUDDCPWCAOSRA-ZWNOBZJWSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114495647 1019516538 /nfs/dbraw/zinc/51/65/38/1019516538.db2.gz PGISDBFGODPDKQ-JXFKEZNVSA-N 1 1 323.440 3.708 20 30 DHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000611554890 1019517336 /nfs/dbraw/zinc/51/73/36/1019517336.db2.gz ALOCJSKWYGHUEY-JSGCOSHPSA-N 1 1 312.335 3.600 20 30 DHEDMO Cc1nn(C)c(C)c1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000350629303 1019540220 /nfs/dbraw/zinc/54/02/20/1019540220.db2.gz MXZRAOZZFFAYBT-UHFFFAOYSA-N 1 1 310.445 3.567 20 30 DHEDMO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000091897594 1019551744 /nfs/dbraw/zinc/55/17/44/1019551744.db2.gz MUZQPWREOIARFH-MRXNPFEDSA-N 1 1 322.437 3.777 20 30 DHEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000091897594 1019551751 /nfs/dbraw/zinc/55/17/51/1019551751.db2.gz MUZQPWREOIARFH-MRXNPFEDSA-N 1 1 322.437 3.777 20 30 DHEDMO N#Cc1ccc(F)c(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c1 ZINC000347689606 1019578038 /nfs/dbraw/zinc/57/80/38/1019578038.db2.gz WDHAYGVGQXLPRV-QGZVFWFLSA-N 1 1 318.779 3.564 20 30 DHEDMO O[C@H](C[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)c1ccc(F)cc1 ZINC000248840209 1019682209 /nfs/dbraw/zinc/68/22/09/1019682209.db2.gz LDYQXTOPZBDBJS-LEWJYISDSA-N 1 1 323.411 3.765 20 30 DHEDMO C#CC[C@@H](COC)[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000858336033 1032850176 /nfs/dbraw/zinc/85/01/76/1032850176.db2.gz SLWYRXIPRCWKET-AWEZNQCLSA-N 1 1 320.845 3.591 20 30 DHEDMO C=C[C@@H](CC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC000536234050 1019806851 /nfs/dbraw/zinc/80/68/51/1019806851.db2.gz PAGAVBCMRDOWNS-JXFKEZNVSA-N 1 1 320.436 3.649 20 30 DHEDMO C=C[C@@H](CC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC000536234050 1019806868 /nfs/dbraw/zinc/80/68/68/1019806868.db2.gz PAGAVBCMRDOWNS-JXFKEZNVSA-N 1 1 320.436 3.649 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)C[C@](C)(O)c2ccccc2)cc1 ZINC000727828125 1019813310 /nfs/dbraw/zinc/81/33/10/1019813310.db2.gz YXBOEJHHMOKHEW-FQEVSTJZSA-N 1 1 311.425 3.591 20 30 DHEDMO C=C(C)C[N@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(CO)o1 ZINC000685442363 1019822510 /nfs/dbraw/zinc/82/25/10/1019822510.db2.gz RFIYHOPMFFGHIK-UHFFFAOYSA-N 1 1 310.397 3.832 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(CO)o1 ZINC000685442363 1019822540 /nfs/dbraw/zinc/82/25/40/1019822540.db2.gz RFIYHOPMFFGHIK-UHFFFAOYSA-N 1 1 310.397 3.832 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](CCc2ccc(Br)cc2)C1 ZINC001207385654 1019889729 /nfs/dbraw/zinc/88/97/29/1019889729.db2.gz IOHRQJIUUPLDQT-CQSZACIVSA-N 1 1 307.235 3.617 20 30 DHEDMO C[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC001171757039 1032858219 /nfs/dbraw/zinc/85/82/19/1032858219.db2.gz QTNZTVHXUWHWJG-UTKZUKDTSA-N 1 1 319.452 3.653 20 30 DHEDMO C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC001171757039 1032858249 /nfs/dbraw/zinc/85/82/49/1032858249.db2.gz QTNZTVHXUWHWJG-UTKZUKDTSA-N 1 1 319.452 3.653 20 30 DHEDMO C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC001171757039 1032858265 /nfs/dbraw/zinc/85/82/65/1032858265.db2.gz QTNZTVHXUWHWJG-UTKZUKDTSA-N 1 1 319.452 3.653 20 30 DHEDMO C=CC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000068860653 1019932883 /nfs/dbraw/zinc/93/28/83/1019932883.db2.gz YRTCSHIQCQDROC-UHFFFAOYSA-N 1 1 307.397 3.875 20 30 DHEDMO CC[N@H+](CC(=O)N(C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477666 1032865498 /nfs/dbraw/zinc/86/54/98/1032865498.db2.gz QNSGKSYXNHVGSV-MRXNPFEDSA-N 1 1 321.424 3.604 20 30 DHEDMO CC[N@@H+](CC(=O)N(C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477666 1032865513 /nfs/dbraw/zinc/86/55/13/1032865513.db2.gz QNSGKSYXNHVGSV-MRXNPFEDSA-N 1 1 321.424 3.604 20 30 DHEDMO N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000317598155 1019993824 /nfs/dbraw/zinc/99/38/24/1019993824.db2.gz RMWBEELVEAXHCD-ZIAGYGMSSA-N 1 1 309.335 3.616 20 30 DHEDMO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000533299452 1020004950 /nfs/dbraw/zinc/00/49/50/1020004950.db2.gz BNEGDSRPYLUWGF-CYBMUJFWSA-N 1 1 319.836 3.662 20 30 DHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2nc(C)cs2)c1 ZINC000858378444 1032868069 /nfs/dbraw/zinc/86/80/69/1032868069.db2.gz KNEUCMKYSFRXOG-HIFRSBDPSA-N 1 1 315.442 3.983 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(F)c(F)c1 ZINC000657983070 1020068074 /nfs/dbraw/zinc/06/80/74/1020068074.db2.gz QZLGSGZFJJWYQW-DOTOQJQBSA-N 1 1 303.356 3.903 20 30 DHEDMO C[C@@H](C/N=C/c1cc(Cl)ccc1O)[N@@H+](C)Cc1ccccc1 ZINC000731938604 1020179442 /nfs/dbraw/zinc/17/94/42/1020179442.db2.gz VTUQOUZUDHHOBZ-PVGUKEHMSA-N 1 1 316.832 3.985 20 30 DHEDMO CCN(CC)CC[N@@H+](Cc1ccc(CC#N)cc1)CC(C)C ZINC000612086709 1020191965 /nfs/dbraw/zinc/19/19/65/1020191965.db2.gz ASXSAIGYYUYIBK-UHFFFAOYSA-N 1 1 301.478 3.552 20 30 DHEDMO CCN(CC)CC[N@H+](Cc1ccc(CC#N)cc1)CC(C)C ZINC000612086709 1020191967 /nfs/dbraw/zinc/19/19/67/1020191967.db2.gz ASXSAIGYYUYIBK-UHFFFAOYSA-N 1 1 301.478 3.552 20 30 DHEDMO C=CCOc1cccc(C[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000922701758 1020227773 /nfs/dbraw/zinc/22/77/73/1020227773.db2.gz PNULRXLNCHJRAR-UHFFFAOYSA-N 1 1 314.454 3.877 20 30 DHEDMO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000186328468 1020238943 /nfs/dbraw/zinc/23/89/43/1020238943.db2.gz FLSFXXGBGLKMJY-LPHOPBHVSA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1cc(C#N)ccc1CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000186328468 1020238950 /nfs/dbraw/zinc/23/89/50/1020238950.db2.gz FLSFXXGBGLKMJY-LPHOPBHVSA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1cc(C#N)ccc1CN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000186328468 1020238958 /nfs/dbraw/zinc/23/89/58/1020238958.db2.gz FLSFXXGBGLKMJY-LPHOPBHVSA-N 1 1 311.473 3.609 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2C)o1 ZINC000186333960 1020245269 /nfs/dbraw/zinc/24/52/69/1020245269.db2.gz HCRLHRMJZBZDSC-SFHVURJKSA-N 1 1 310.397 3.943 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000179316043 1020252312 /nfs/dbraw/zinc/25/23/12/1020252312.db2.gz AWPMALIKQVXNFI-UHFFFAOYSA-N 1 1 324.380 3.629 20 30 DHEDMO C#CCCOc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000179316043 1020252320 /nfs/dbraw/zinc/25/23/20/1020252320.db2.gz AWPMALIKQVXNFI-UHFFFAOYSA-N 1 1 324.380 3.629 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cnn(-c2ccccc2)c1 ZINC000765813248 1020309786 /nfs/dbraw/zinc/30/97/86/1020309786.db2.gz OSYLOMKXLJKAAF-AWEZNQCLSA-N 1 1 320.371 3.734 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000280917610 1020315591 /nfs/dbraw/zinc/31/55/91/1020315591.db2.gz GBNJRQSDYUSBOE-BHIYHBOVSA-N 1 1 316.420 3.603 20 30 DHEDMO Cc1cc(C#N)cc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000310190190 1020338413 /nfs/dbraw/zinc/33/84/13/1020338413.db2.gz PYBGPNWYOFYGIK-GOSISDBHSA-N 1 1 320.440 3.586 20 30 DHEDMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164549 1020356111 /nfs/dbraw/zinc/35/61/11/1020356111.db2.gz CILRHGTZCIZSKP-IBGZPJMESA-N 1 1 313.445 3.648 20 30 DHEDMO C#CCC[NH+]1CCN(C(=O)[C@H](CCC)CC2CCCCC2)CC1 ZINC000733256076 1020358906 /nfs/dbraw/zinc/35/89/06/1020358906.db2.gz BLPZXGUGNIWNML-LJQANCHMSA-N 1 1 318.505 3.541 20 30 DHEDMO N#Cc1cc(Cl)c(Nc2ccc[nH+]c2N)cc1C(F)(F)F ZINC001212409893 1020367050 /nfs/dbraw/zinc/36/70/50/1020367050.db2.gz CGIKFUUYNFTCKA-UHFFFAOYSA-N 1 1 312.682 3.951 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000612174616 1020370267 /nfs/dbraw/zinc/37/02/67/1020370267.db2.gz QGJFYGAZBPLYNQ-IBGZPJMESA-N 1 1 310.372 3.545 20 30 DHEDMO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000283010976 1020378332 /nfs/dbraw/zinc/37/83/32/1020378332.db2.gz OTKUTMHSHYMHMH-IBGZPJMESA-N 1 1 323.440 3.542 20 30 DHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(Cl)s1 ZINC000337124832 1032899509 /nfs/dbraw/zinc/89/95/09/1032899509.db2.gz DDQSLJRKOOBVCQ-UHFFFAOYSA-N 1 1 312.866 3.934 20 30 DHEDMO N#Cc1cccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c1F ZINC000347636940 1020422707 /nfs/dbraw/zinc/42/27/07/1020422707.db2.gz IMDLWTWNYMKVPT-MRXNPFEDSA-N 1 1 318.779 3.564 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)=O)C1 ZINC001171840963 1032904247 /nfs/dbraw/zinc/90/42/47/1032904247.db2.gz IFDXNRHNORBDGI-HOCLYGCPSA-N 1 1 314.429 3.504 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)=O)C1 ZINC001171840963 1032904256 /nfs/dbraw/zinc/90/42/56/1032904256.db2.gz IFDXNRHNORBDGI-HOCLYGCPSA-N 1 1 314.429 3.504 20 30 DHEDMO C=CCOCCC[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000348022302 1020478000 /nfs/dbraw/zinc/47/80/00/1020478000.db2.gz AAKMXTZCFPEQEV-CQSZACIVSA-N 1 1 318.392 3.739 20 30 DHEDMO CC(C)[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000337136432 1032904512 /nfs/dbraw/zinc/90/45/12/1032904512.db2.gz OPGZYYZLJJRCOF-UHFFFAOYSA-N 1 1 300.446 3.998 20 30 DHEDMO CCCCCCCCCN(C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000734285166 1020581384 /nfs/dbraw/zinc/58/13/84/1020581384.db2.gz HFJNUPXTMJHRQY-INIZCTEOSA-N 1 1 309.498 3.615 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000734487498 1020613625 /nfs/dbraw/zinc/61/36/25/1020613625.db2.gz RJNHJLOQJCFETR-VQIMIIECSA-N 1 1 306.409 3.967 20 30 DHEDMO CC(C)(C)[N@H+](Cc1ccsc1)C[C@@H](O)c1cccc(C#N)c1 ZINC001171901065 1032913413 /nfs/dbraw/zinc/91/34/13/1032913413.db2.gz SXBLKXAOWRFQKZ-QGZVFWFLSA-N 1 1 314.454 3.954 20 30 DHEDMO C[N@H+]1CC[C@@H](CNc2c(C#N)cccc2C#N)[C@H]1c1cccs1 ZINC000365462788 1020635985 /nfs/dbraw/zinc/63/59/85/1020635985.db2.gz PYVJTAXGOOUVLJ-YJBOKZPZSA-N 1 1 322.437 3.596 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CN[C@@H](C)c1c(C)noc1C)C(C)C ZINC000924644449 1032923686 /nfs/dbraw/zinc/92/36/86/1032923686.db2.gz YSDCDKBINBZDIC-YOEHRIQHSA-N 1 1 305.466 3.641 20 30 DHEDMO C[N@H+](Cc1ccsc1)Cc1cc(Cl)ccc1OCC#N ZINC000735306075 1020717415 /nfs/dbraw/zinc/71/74/15/1020717415.db2.gz HQADZWLGDDUZAF-UHFFFAOYSA-N 1 1 306.818 3.936 20 30 DHEDMO C[N@@H+](Cc1ccsc1)Cc1cc(Cl)ccc1OCC#N ZINC000735306075 1020717425 /nfs/dbraw/zinc/71/74/25/1020717425.db2.gz HQADZWLGDDUZAF-UHFFFAOYSA-N 1 1 306.818 3.936 20 30 DHEDMO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C(C1CC1)C1CC1 ZINC000735310278 1020720123 /nfs/dbraw/zinc/72/01/23/1020720123.db2.gz WXIFJZGJWQSCAI-UHFFFAOYSA-N 1 1 304.821 3.863 20 30 DHEDMO C=CC[N@@H+](CC1CCCCC1)Cn1cnc(-c2ccccc2)n1 ZINC000735486628 1020738940 /nfs/dbraw/zinc/73/89/40/1020738940.db2.gz YLLASKNFTBKRBU-UHFFFAOYSA-N 1 1 310.445 3.971 20 30 DHEDMO CCCCCC[N@@H+](C)CC(=O)N(CCC#N)c1ccc(F)cc1 ZINC000735656694 1020758610 /nfs/dbraw/zinc/75/86/10/1020758610.db2.gz HTPVUHACQURKBD-UHFFFAOYSA-N 1 1 319.424 3.584 20 30 DHEDMO CCC1(CC)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCS1 ZINC000580648316 1020850418 /nfs/dbraw/zinc/85/04/18/1020850418.db2.gz GENHXHNEUSAMEA-UHFFFAOYSA-N 1 1 319.430 3.574 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000739912112 1020923000 /nfs/dbraw/zinc/92/30/00/1020923000.db2.gz FTOUFWRMZYDOQB-CVEARBPZSA-N 1 1 308.466 3.674 20 30 DHEDMO C#CC[N@H+](CCC=C)[C@H]1CCOc2ccc(Br)cc21 ZINC000739916486 1020924822 /nfs/dbraw/zinc/92/48/22/1020924822.db2.gz YSGLCUFMBFBVTR-HNNXBMFYSA-N 1 1 320.230 3.784 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1cccc(OCC(F)(F)F)c1 ZINC000739914106 1020924971 /nfs/dbraw/zinc/92/49/71/1020924971.db2.gz FETOKUSJRGOJDC-UHFFFAOYSA-N 1 1 314.351 3.999 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1cccc(OCC(F)(F)F)c1 ZINC000739914106 1020924976 /nfs/dbraw/zinc/92/49/76/1020924976.db2.gz FETOKUSJRGOJDC-UHFFFAOYSA-N 1 1 314.351 3.999 20 30 DHEDMO CC[N@H+]1CC[C@@H](N(C)c2nc(C(C)(C)C)ccc2C#N)C[C@H]1C ZINC000613425667 1020950015 /nfs/dbraw/zinc/95/00/15/1020950015.db2.gz FKKAAGXFECPQEE-GDBMZVCRSA-N 1 1 314.477 3.560 20 30 DHEDMO CC(C)C[N@H+]1CC[C@@H](CNc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613429560 1020955240 /nfs/dbraw/zinc/95/52/40/1020955240.db2.gz NIXBYLZMXIXOEX-HNNXBMFYSA-N 1 1 314.477 3.641 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000464435719 1020964262 /nfs/dbraw/zinc/96/42/62/1020964262.db2.gz GDTPVPHTCCFXTI-XYJFISCASA-N 1 1 300.446 3.540 20 30 DHEDMO C#CCCC[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000178153548 1020967523 /nfs/dbraw/zinc/96/75/23/1020967523.db2.gz CTJKAVJCMLAKTK-SFHVURJKSA-N 1 1 317.392 3.829 20 30 DHEDMO C[C@@H]1C[C@H]([N@@H+](C)CCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000131779767 1032947200 /nfs/dbraw/zinc/94/72/00/1032947200.db2.gz ROXBJPRQNQBNJS-IEBWSBKVSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@@H]1C[C@H](N(C)CCC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000131779767 1032947211 /nfs/dbraw/zinc/94/72/11/1032947211.db2.gz ROXBJPRQNQBNJS-IEBWSBKVSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@@H]1C[C@H](N(C)CCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000131779767 1032947229 /nfs/dbraw/zinc/94/72/29/1032947229.db2.gz ROXBJPRQNQBNJS-IEBWSBKVSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CCCC(C)(C)C#N ZINC000174872763 1021004596 /nfs/dbraw/zinc/00/45/96/1021004596.db2.gz YUHBSMJLHKAAMW-SFHVURJKSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCCC(C)(C)C#N ZINC000174872763 1021004599 /nfs/dbraw/zinc/00/45/99/1021004599.db2.gz YUHBSMJLHKAAMW-SFHVURJKSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CCCC(C)(C)C#N ZINC000174872763 1021004603 /nfs/dbraw/zinc/00/46/03/1021004603.db2.gz YUHBSMJLHKAAMW-SFHVURJKSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@H]1CC(=NN=C2c3ccccc3-c3ccccc32)CC[N@H+]1C ZINC000741462393 1021008258 /nfs/dbraw/zinc/00/82/58/1021008258.db2.gz OHQVJOFXNLUXPI-AWEZNQCLSA-N 1 1 303.409 3.975 20 30 DHEDMO C[C@H]1CC(N=Nc2ncc(C(F)(F)F)cc2Cl)CC[N@H+]1C ZINC000741451783 1021012043 /nfs/dbraw/zinc/01/20/43/1021012043.db2.gz OJMKVNAEMJRSHF-QMMMGPOBSA-N 1 1 320.746 3.636 20 30 DHEDMO CCCCOC(=O)[C@@H](C)[N@H+](CCC)Cc1ccc(C#N)cc1 ZINC000741777438 1021051177 /nfs/dbraw/zinc/05/11/77/1021051177.db2.gz XXPNBTQPFYRUDX-OAHLLOKOSA-N 1 1 302.418 3.502 20 30 DHEDMO CCCCOC(=O)[C@@H](C)[N@@H+](CCC)Cc1ccc(C#N)cc1 ZINC000741777438 1021051182 /nfs/dbraw/zinc/05/11/82/1021051182.db2.gz XXPNBTQPFYRUDX-OAHLLOKOSA-N 1 1 302.418 3.502 20 30 DHEDMO CCCCCCC[N@@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000741794281 1021053694 /nfs/dbraw/zinc/05/36/94/1021053694.db2.gz IBMIZTVCWZRZTQ-UHFFFAOYSA-N 1 1 312.461 3.655 20 30 DHEDMO CCCCCCC[N@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000741794281 1021053699 /nfs/dbraw/zinc/05/36/99/1021053699.db2.gz IBMIZTVCWZRZTQ-UHFFFAOYSA-N 1 1 312.461 3.655 20 30 DHEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(OCC#N)cc1 ZINC000264536331 1032953178 /nfs/dbraw/zinc/95/31/78/1032953178.db2.gz GENRWKSLOQTUIK-UHFFFAOYSA-N 1 1 310.397 3.620 20 30 DHEDMO C[C@@H]1CCC[C@H](C)[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000742154407 1021096028 /nfs/dbraw/zinc/09/60/28/1021096028.db2.gz JESOPSOAORMBPK-CVEARBPZSA-N 1 1 308.429 3.890 20 30 DHEDMO C#CCCOc1ccc(C[N@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000125743313 1032955415 /nfs/dbraw/zinc/95/54/15/1032955415.db2.gz WROVJBBSSDRTLX-UHFFFAOYSA-N 1 1 314.816 3.769 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)C(C)C ZINC000917168150 1021204618 /nfs/dbraw/zinc/20/46/18/1021204618.db2.gz PXKLDCUSTYMTSY-INIZCTEOSA-N 1 1 308.491 3.848 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C ZINC000917167090 1021205112 /nfs/dbraw/zinc/20/51/12/1021205112.db2.gz SHWXWDJBPPITEK-UHFFFAOYSA-N 1 1 301.217 3.828 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C ZINC000917167090 1021205122 /nfs/dbraw/zinc/20/51/22/1021205122.db2.gz SHWXWDJBPPITEK-UHFFFAOYSA-N 1 1 301.217 3.828 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)C(C)C ZINC000917168099 1021206218 /nfs/dbraw/zinc/20/62/18/1021206218.db2.gz MIQCAOHVKBWJCM-AWEZNQCLSA-N 1 1 308.853 3.756 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177124013 1021214202 /nfs/dbraw/zinc/21/42/02/1021214202.db2.gz PPGOWDNGJVFSLW-UHFFFAOYSA-N 1 1 303.362 3.914 20 30 DHEDMO CC(C)C[C@@H](C#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976067 1032962326 /nfs/dbraw/zinc/96/23/26/1032962326.db2.gz PATKOUJYAVYWJA-MOPGFXCFSA-N 1 1 313.489 3.957 20 30 DHEDMO CC1(C)C[C@@H](N2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171976433 1032962572 /nfs/dbraw/zinc/96/25/72/1032962572.db2.gz LGRIPCGNCPFGMX-IBGZPJMESA-N 1 1 311.473 3.665 20 30 DHEDMO CC1(C)C[C@@H]([NH+]2CCC(C#N)CC2)CCN1Cc1ccccc1 ZINC001171976433 1032962616 /nfs/dbraw/zinc/96/26/16/1032962616.db2.gz LGRIPCGNCPFGMX-IBGZPJMESA-N 1 1 311.473 3.665 20 30 DHEDMO N#Cc1ccc(O[C@H]2CCC[N@H+](CCCC(F)(F)F)C2)cc1 ZINC001202444473 1021258656 /nfs/dbraw/zinc/25/86/56/1021258656.db2.gz HDIMWRDGLZHERT-HNNXBMFYSA-N 1 1 312.335 3.744 20 30 DHEDMO N#Cc1cccc(O[C@H]2CCC[N@H+](CCCC(F)(F)F)C2)c1 ZINC001202434111 1021269294 /nfs/dbraw/zinc/26/92/94/1021269294.db2.gz ZGNHXHKIYOQPIJ-HNNXBMFYSA-N 1 1 312.335 3.744 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000618275916 1021341722 /nfs/dbraw/zinc/34/17/22/1021341722.db2.gz QVFWLOGSTFIUAJ-HDICACEKSA-N 1 1 311.473 3.775 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000618282021 1021344524 /nfs/dbraw/zinc/34/45/24/1021344524.db2.gz YOULZARRZGAIPS-CYBMUJFWSA-N 1 1 306.372 3.750 20 30 DHEDMO CC(C)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)CCS1 ZINC000743869687 1021394049 /nfs/dbraw/zinc/39/40/49/1021394049.db2.gz VZOQKXVMKFCCPH-INIZCTEOSA-N 1 1 324.877 3.816 20 30 DHEDMO CC(C)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)CCS1 ZINC000743869687 1021394069 /nfs/dbraw/zinc/39/40/69/1021394069.db2.gz VZOQKXVMKFCCPH-INIZCTEOSA-N 1 1 324.877 3.816 20 30 DHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000744129354 1021440652 /nfs/dbraw/zinc/44/06/52/1021440652.db2.gz PGICWIAKXCVZCI-CRAIPNDOSA-N 1 1 308.429 3.890 20 30 DHEDMO CCCCCCC[C@H](C)CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000918134661 1021462587 /nfs/dbraw/zinc/46/25/87/1021462587.db2.gz BNZUGODWCWKCOA-KSZLIROESA-N 1 1 323.525 3.909 20 30 DHEDMO CCN(CC)c1ncc(C=[NH+]NCc2ccccc2Cl)s1 ZINC000918152699 1021470695 /nfs/dbraw/zinc/47/06/95/1021470695.db2.gz JZGQCYQDSQMCFO-UHFFFAOYSA-N 1 1 322.865 3.766 20 30 DHEDMO CCN(CCC#N)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075462 1032983172 /nfs/dbraw/zinc/98/31/72/1032983172.db2.gz QZFFAHXVHMUZLM-ACDBMABISA-N 1 1 311.473 3.808 20 30 DHEDMO Cc1cc(F)ccc1-c1ccc(C[NH2+]Cc2ccc(C#N)cn2)o1 ZINC000780557983 1021536044 /nfs/dbraw/zinc/53/60/44/1021536044.db2.gz FOCNUYJAPXZXHF-UHFFFAOYSA-N 1 1 321.355 3.951 20 30 DHEDMO CSc1ccc(C[NH2+][C@H]2CCCc3oc(C)nc32)cc1C#N ZINC000926869638 1021707056 /nfs/dbraw/zinc/70/70/56/1021707056.db2.gz WGKHSSWQEHKGBK-AWEZNQCLSA-N 1 1 313.426 3.744 20 30 DHEDMO CC[NH+](CC)[C@@H](C(=O)O[C@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000851208202 1021782340 /nfs/dbraw/zinc/78/23/40/1021782340.db2.gz PPCJXPICTLGADR-NVXWUHKLSA-N 1 1 316.445 3.941 20 30 DHEDMO N#CC1(CCC[N@@H+]2CC[C@H]2c2cccc(F)c2)CCOCC1 ZINC000619620476 1021811277 /nfs/dbraw/zinc/81/12/77/1021811277.db2.gz BJHPCZBUZAIWIG-KRWDZBQOSA-N 1 1 302.393 3.673 20 30 DHEDMO CC(=[NH+]Nc1cccc(Br)c1)c1ccc(N)cc1 ZINC000745990800 1021821395 /nfs/dbraw/zinc/82/13/95/1021821395.db2.gz JGPZKJRUEKQYPZ-UHFFFAOYSA-N 1 1 304.191 3.867 20 30 DHEDMO C=CC(C)(C)CCCNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000876321488 1033017371 /nfs/dbraw/zinc/01/73/71/1033017371.db2.gz PVWKRPOQIBRIHV-UHFFFAOYSA-N 1 1 323.525 3.741 20 30 DHEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1ccccn1 ZINC000851713396 1021968258 /nfs/dbraw/zinc/96/82/58/1021968258.db2.gz DLDQPQHXNZLXLF-CQSZACIVSA-N 1 1 308.834 3.518 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1ccccn1 ZINC000851713396 1021968263 /nfs/dbraw/zinc/96/82/63/1021968263.db2.gz DLDQPQHXNZLXLF-CQSZACIVSA-N 1 1 308.834 3.518 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)C[C@H]2CCCCO2)c1O ZINC000919944223 1021980565 /nfs/dbraw/zinc/98/05/65/1021980565.db2.gz XTDMTEZNHFGNPW-QGZVFWFLSA-N 1 1 319.445 3.520 20 30 DHEDMO COc1cccc(/C=N\[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1O ZINC000920174033 1022075041 /nfs/dbraw/zinc/07/50/41/1022075041.db2.gz IYRGOLMQDPWMAR-WORKHZEYSA-N 1 1 324.424 3.655 20 30 DHEDMO COc1cccc(O)c1/C=N\[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000920175597 1022075215 /nfs/dbraw/zinc/07/52/15/1022075215.db2.gz YEPDMMAOOCVUCI-AJVSWXBMSA-N 1 1 324.424 3.655 20 30 DHEDMO C=C[C@H](CC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000153516943 1022082231 /nfs/dbraw/zinc/08/22/31/1022082231.db2.gz WPOGELUBZCJXJG-FGTMMUONSA-N 1 1 314.473 3.583 20 30 DHEDMO CC(C)(C)OC(=O)NCCCCCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852319197 1022105283 /nfs/dbraw/zinc/10/52/83/1022105283.db2.gz HVORZCOEWJFUJQ-INIZCTEOSA-N 1 1 323.481 3.697 20 30 DHEDMO CC(C)(C)OC(=O)NCCCCCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000852319199 1022105810 /nfs/dbraw/zinc/10/58/10/1022105810.db2.gz HVORZCOEWJFUJQ-MRXNPFEDSA-N 1 1 323.481 3.697 20 30 DHEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCCCc2ccccc2)C1 ZINC000852332032 1022107624 /nfs/dbraw/zinc/10/76/24/1022107624.db2.gz NOJXVUMXDPWSDF-NRFANRHFSA-N 1 1 319.452 3.962 20 30 DHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCCCc2ccccc2)C1 ZINC000852332032 1022107628 /nfs/dbraw/zinc/10/76/28/1022107628.db2.gz NOJXVUMXDPWSDF-NRFANRHFSA-N 1 1 319.452 3.962 20 30 DHEDMO N#Cc1cccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000183343728 1022112290 /nfs/dbraw/zinc/11/22/90/1022112290.db2.gz JDGDISWFPGPUPD-HXUWFJFHSA-N 1 1 317.367 3.972 20 30 DHEDMO C=CC[N@H+](Cc1ccc(Cl)nc1C(F)(F)F)[C@@H](C)COC ZINC000852357253 1022113435 /nfs/dbraw/zinc/11/34/35/1022113435.db2.gz YXBHUSKJFQHNGR-JTQLQIEISA-N 1 1 322.758 3.777 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Cl)nc1C(F)(F)F)[C@@H](C)COC ZINC000852357253 1022113438 /nfs/dbraw/zinc/11/34/38/1022113438.db2.gz YXBHUSKJFQHNGR-JTQLQIEISA-N 1 1 322.758 3.777 20 30 DHEDMO Cc1nc(C[NH2+]C(C)(C)c2cccc(C#N)c2)nc2ccccc12 ZINC000852354372 1022113463 /nfs/dbraw/zinc/11/34/63/1022113463.db2.gz MYQSOXZRFVIPKN-UHFFFAOYSA-N 1 1 316.408 3.835 20 30 DHEDMO C#CCC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000920416026 1022116995 /nfs/dbraw/zinc/11/69/95/1022116995.db2.gz QCINMFRNZNXESJ-UHFFFAOYSA-N 1 1 315.420 3.994 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000852411439 1022117996 /nfs/dbraw/zinc/11/79/96/1022117996.db2.gz UODKWKVEZSXGGD-ZDUSSCGKSA-N 1 1 301.365 3.664 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000076152810 1022123075 /nfs/dbraw/zinc/12/30/75/1022123075.db2.gz BIKFBPJKCNYJKT-WOJBJXKFSA-N 1 1 301.393 3.830 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000076152810 1022123081 /nfs/dbraw/zinc/12/30/81/1022123081.db2.gz BIKFBPJKCNYJKT-WOJBJXKFSA-N 1 1 301.393 3.830 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1nccn1C ZINC000183428714 1022142872 /nfs/dbraw/zinc/14/28/72/1022142872.db2.gz ORLGXXQJJINQHQ-OAHLLOKOSA-N 1 1 316.408 3.810 20 30 DHEDMO CC1(C)C[C@H](NCC2(C#N)CCCC2)C[N@H+]1Cc1ccccc1 ZINC001204020274 1022220064 /nfs/dbraw/zinc/22/00/64/1022220064.db2.gz LHAQGDYKCMNTIH-SFHVURJKSA-N 1 1 311.473 3.713 20 30 DHEDMO CC1(C)C[C@H]([NH2+]CC2(C#N)CCCC2)CN1Cc1ccccc1 ZINC001204020274 1022220072 /nfs/dbraw/zinc/22/00/72/1022220072.db2.gz LHAQGDYKCMNTIH-SFHVURJKSA-N 1 1 311.473 3.713 20 30 DHEDMO Oc1cccc(/C=N/C[C@H]2CCCC[N@H+]2Cc2ccccc2)c1O ZINC000921260999 1022238541 /nfs/dbraw/zinc/23/85/41/1022238541.db2.gz KBNOTDQJABNQFW-KOMLCTQHSA-N 1 1 324.424 3.571 20 30 DHEDMO N#CC1(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000347479907 1022259792 /nfs/dbraw/zinc/25/97/92/1022259792.db2.gz NIQWSIORJIRXOI-ZDUSSCGKSA-N 1 1 301.459 3.505 20 30 DHEDMO N#CC1(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000347479907 1022259802 /nfs/dbraw/zinc/25/98/02/1022259802.db2.gz NIQWSIORJIRXOI-ZDUSSCGKSA-N 1 1 301.459 3.505 20 30 DHEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000925537973 1022276904 /nfs/dbraw/zinc/27/69/04/1022276904.db2.gz NOFAGKWPAJMVRQ-GFCCVEGCSA-N 1 1 300.431 3.623 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000609672475 1022327717 /nfs/dbraw/zinc/32/77/17/1022327717.db2.gz CDYAUUCBAPRGGS-VQIMIIECSA-N 1 1 306.409 3.815 20 30 DHEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC001169329898 1022358162 /nfs/dbraw/zinc/35/81/62/1022358162.db2.gz AUUGULIYQWEJHQ-FUHWJXTLSA-N 1 1 313.445 3.787 20 30 DHEDMO N#CC1(C[NH2+][C@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000538388841 1033048626 /nfs/dbraw/zinc/04/86/26/1033048626.db2.gz HIJIDFPIDAJNPM-QGZVFWFLSA-N 1 1 310.372 3.839 20 30 DHEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000610001805 1022400632 /nfs/dbraw/zinc/40/06/32/1022400632.db2.gz AECBWAOVYNYRLZ-IAGOWNOFSA-N 1 1 319.493 3.572 20 30 DHEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)CCc1ccccc1 ZINC000610132804 1022424934 /nfs/dbraw/zinc/42/49/34/1022424934.db2.gz IXQOBARPVMGURK-UHFFFAOYSA-N 1 1 324.424 3.510 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000132725039 1033055582 /nfs/dbraw/zinc/05/55/82/1033055582.db2.gz VQYMWHISBVVTKV-AWEZNQCLSA-N 1 1 301.365 3.631 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000660095694 1022477853 /nfs/dbraw/zinc/47/78/53/1022477853.db2.gz RPZGJHIKMFSDSH-QGZVFWFLSA-N 1 1 324.449 3.900 20 30 DHEDMO CC(C)CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000179924381 1022587720 /nfs/dbraw/zinc/58/77/20/1022587720.db2.gz QFWPBPZQMCGEKQ-UHFFFAOYSA-N 1 1 322.456 3.969 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC[C@@H]2COC(C)(C)O2)cc1 ZINC001169913268 1022589621 /nfs/dbraw/zinc/58/96/21/1022589621.db2.gz MCRXAVVWSOMIND-QZTJIDSGSA-N 1 1 316.445 3.573 20 30 DHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C(C)C)c1C ZINC000338975100 1022643618 /nfs/dbraw/zinc/64/36/18/1022643618.db2.gz YCKMMQYWIBDXCI-KRWDZBQOSA-N 1 1 315.461 3.526 20 30 DHEDMO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000616132123 1022643665 /nfs/dbraw/zinc/64/36/65/1022643665.db2.gz JFGHZKHLLZRMGD-MRXNPFEDSA-N 1 1 323.415 3.602 20 30 DHEDMO CC[C@@H](c1ccccc1)[N@@H+](CCCC(C)(C)C#N)CC(=O)OC ZINC000159043098 1022684279 /nfs/dbraw/zinc/68/42/79/1022684279.db2.gz QNOKVROSUPMMGB-KRWDZBQOSA-N 1 1 316.445 3.943 20 30 DHEDMO CC[C@H](c1ccccc1)[N@@H+](CCCC(C)(C)C#N)CC(=O)OC ZINC000159043257 1022684897 /nfs/dbraw/zinc/68/48/97/1022684897.db2.gz QNOKVROSUPMMGB-QGZVFWFLSA-N 1 1 316.445 3.943 20 30 DHEDMO Cc1ccccc1O[C@H]1CC[N@H+]([C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172305752 1033076441 /nfs/dbraw/zinc/07/64/41/1033076441.db2.gz FXURDBYRDBBRCY-PXNSSMCTSA-N 1 1 320.436 3.951 20 30 DHEDMO C=CCCONC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000856031286 1022740897 /nfs/dbraw/zinc/74/08/97/1022740897.db2.gz JZHKBVZZFBMTQE-UHFFFAOYSA-N 1 1 324.424 3.556 20 30 DHEDMO CC[N@H+](Cc1ccncc1)Cc1cc(Cl)ccc1OCC#N ZINC000767618274 1022759096 /nfs/dbraw/zinc/75/90/96/1022759096.db2.gz MPSODUUORQYSRZ-UHFFFAOYSA-N 1 1 315.804 3.659 20 30 DHEDMO CC[N@@H+](Cc1ccncc1)Cc1cc(Cl)ccc1OCC#N ZINC000767618274 1022759105 /nfs/dbraw/zinc/75/91/05/1022759105.db2.gz MPSODUUORQYSRZ-UHFFFAOYSA-N 1 1 315.804 3.659 20 30 DHEDMO N#Cc1ccc(OCCC[N@@H+](Cc2ccccc2)C2CC2)cc1 ZINC000071950241 1022761930 /nfs/dbraw/zinc/76/19/30/1022761930.db2.gz ZVCHLLHYGXWMKY-UHFFFAOYSA-N 1 1 306.409 3.992 20 30 DHEDMO Cc1cc(C[NH2+]Cc2nc(-c3ccncc3)cs2)ccc1C#N ZINC000767692724 1022772385 /nfs/dbraw/zinc/77/23/85/1022772385.db2.gz YUPMMMCVGAOVFZ-UHFFFAOYSA-N 1 1 320.421 3.675 20 30 DHEDMO COc1ccc([C@H]2CC[N@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)cc1 ZINC001172310817 1033079670 /nfs/dbraw/zinc/07/96/70/1033079670.db2.gz JMPXQGISEMHTNR-UZLBHIALSA-N 1 1 320.436 3.987 20 30 DHEDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(C#N)n1 ZINC000876511705 1033081560 /nfs/dbraw/zinc/08/15/60/1033081560.db2.gz SOJNHLYTCWXZPD-UHFFFAOYSA-N 1 1 320.440 3.576 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)CCOC(C)(C)C)c1O ZINC000767774678 1022803886 /nfs/dbraw/zinc/80/38/86/1022803886.db2.gz JSRCWMSDQXLHLM-UHFFFAOYSA-N 1 1 321.461 3.766 20 30 DHEDMO N#Cc1cc(F)c(NC[C@@H](c2ccco2)[NH+]2CCCC2)c(F)c1 ZINC000068938132 1022818770 /nfs/dbraw/zinc/81/87/70/1022818770.db2.gz XYBMGVCABHQKPY-HNNXBMFYSA-N 1 1 317.339 3.678 20 30 DHEDMO COC(=O)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000069071153 1022883057 /nfs/dbraw/zinc/88/30/57/1022883057.db2.gz FSPDVZJNBMJASO-UHFFFAOYSA-N 1 1 322.408 3.755 20 30 DHEDMO COc1ccc(C[N@H+](CCC#N)CC(C)C)cc1OC(F)F ZINC000768154795 1022905179 /nfs/dbraw/zinc/90/51/79/1022905179.db2.gz UJGXZSNUNVBPAT-UHFFFAOYSA-N 1 1 312.360 3.668 20 30 DHEDMO COc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1OC(F)F ZINC000768154795 1022905187 /nfs/dbraw/zinc/90/51/87/1022905187.db2.gz UJGXZSNUNVBPAT-UHFFFAOYSA-N 1 1 312.360 3.668 20 30 DHEDMO COc1cccc(C[N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000768164132 1022910174 /nfs/dbraw/zinc/91/01/74/1022910174.db2.gz XDKAAZGXAHCTDY-OAHLLOKOSA-N 1 1 310.397 3.618 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000768360208 1022952634 /nfs/dbraw/zinc/95/26/34/1022952634.db2.gz KRNHQYQBZODTOO-FQEVSTJZSA-N 1 1 320.440 3.769 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000768359315 1022953087 /nfs/dbraw/zinc/95/30/87/1022953087.db2.gz COWIDWMBBPJCHU-FQEVSTJZSA-N 1 1 306.409 3.821 20 30 DHEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000644790895 1022962283 /nfs/dbraw/zinc/96/22/83/1022962283.db2.gz CELXWIFPRHWSKG-GOSISDBHSA-N 1 1 314.473 3.617 20 30 DHEDMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CC1(C#N)CCC1 ZINC000418135158 1022968628 /nfs/dbraw/zinc/96/86/28/1022968628.db2.gz ACWOSDGNZBOREB-UHFFFAOYSA-N 1 1 322.456 3.640 20 30 DHEDMO C=CC[N@H+](Cc1nc2cc(C(F)(F)F)ccc2n1C)C(C)C ZINC000768546505 1022993619 /nfs/dbraw/zinc/99/36/19/1022993619.db2.gz BCLFAEWQIRSENT-UHFFFAOYSA-N 1 1 311.351 3.989 20 30 DHEDMO C=CC[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2n1C)C(C)C ZINC000768546505 1022993631 /nfs/dbraw/zinc/99/36/31/1022993631.db2.gz BCLFAEWQIRSENT-UHFFFAOYSA-N 1 1 311.351 3.989 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(C)c2Cl)no1 ZINC001212325605 1023004834 /nfs/dbraw/zinc/00/48/34/1023004834.db2.gz WZRYECQWMHNJSM-LBPRGKRZSA-N 1 1 307.756 3.641 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc3ccc(OC)cc32)no1 ZINC001212327147 1023012297 /nfs/dbraw/zinc/01/22/97/1023012297.db2.gz PDTBDDSPOKFTOV-KRWDZBQOSA-N 1 1 321.380 3.702 20 30 DHEDMO C#CC[N@H+](Cc1ccc(-c2ccc(C(=O)OC)cc2)o1)CC1CC1 ZINC001204640814 1023012567 /nfs/dbraw/zinc/01/25/67/1023012567.db2.gz VGCNYRGDVKZVIQ-UHFFFAOYSA-N 1 1 323.392 3.578 20 30 DHEDMO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000695866007 1023036534 /nfs/dbraw/zinc/03/65/34/1023036534.db2.gz WZVMXZRRXOGLQB-PKOBYXMFSA-N 1 1 313.489 3.817 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000122870596 1023044342 /nfs/dbraw/zinc/04/43/42/1023044342.db2.gz GYAPEQTVNUYBNJ-MRXNPFEDSA-N 1 1 316.408 3.937 20 30 DHEDMO CC[N@@H+](Cc1sc2nc(C)nc(C)c2c1C)C[C@H](C)C#N ZINC000768882299 1023047043 /nfs/dbraw/zinc/04/70/43/1023047043.db2.gz RQSZJEMMUJFSIT-SNVBAGLBSA-N 1 1 302.447 3.598 20 30 DHEDMO CC[N@H+](Cc1sc2nc(C)nc(C)c2c1C)C[C@H](C)C#N ZINC000768882299 1023047056 /nfs/dbraw/zinc/04/70/56/1023047056.db2.gz RQSZJEMMUJFSIT-SNVBAGLBSA-N 1 1 302.447 3.598 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(OCCC#N)cc1 ZINC001167754050 1023047536 /nfs/dbraw/zinc/04/75/36/1023047536.db2.gz UCAUARCOVJOGLH-MRXNPFEDSA-N 1 1 301.434 3.655 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C2Cc3ccccc3C2)cc1 ZINC000769033333 1023073116 /nfs/dbraw/zinc/07/31/16/1023073116.db2.gz KJXGUQVHWSTTCJ-OAHLLOKOSA-N 1 1 306.409 3.577 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCc3ccc(OC)cc3C2)cc1 ZINC000769120309 1023086247 /nfs/dbraw/zinc/08/62/47/1023086247.db2.gz KTCZGLPFFRAMQQ-UHFFFAOYSA-N 1 1 321.420 3.656 20 30 DHEDMO C=CCCC[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000769463956 1023159670 /nfs/dbraw/zinc/15/96/70/1023159670.db2.gz UYYXYRKHWIKJEK-UHFFFAOYSA-N 1 1 305.422 3.827 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@H](C)[C@@H](C)C1)CC2 ZINC001172376170 1033111475 /nfs/dbraw/zinc/11/14/75/1033111475.db2.gz ICCFICQNGVNMIH-GNBUJSLZSA-N 1 1 318.505 3.844 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1CC[C@@H]1Sc2ccccc2NC1=O ZINC000660429755 1023175004 /nfs/dbraw/zinc/17/50/04/1023175004.db2.gz PCEZEEFMFKGCDD-BBRMVZONSA-N 1 1 302.443 3.530 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)c1 ZINC000876635145 1033112807 /nfs/dbraw/zinc/11/28/07/1033112807.db2.gz NKLPMOYCHBOOGJ-ZAQWFSBCSA-N 1 1 301.821 3.617 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2cn(Cc3ccccc3)nn2)CCCC1(C)C ZINC000769952197 1023242385 /nfs/dbraw/zinc/24/23/85/1023242385.db2.gz AOOFVRBENOSEBB-LJQANCHMSA-N 1 1 324.472 3.893 20 30 DHEDMO C[C@@H](c1ccncc1)[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000769926126 1023249196 /nfs/dbraw/zinc/24/91/96/1023249196.db2.gz MEIPOJSXZVDANH-ZDUSSCGKSA-N 1 1 315.804 3.830 20 30 DHEDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000769926126 1023249200 /nfs/dbraw/zinc/24/92/00/1023249200.db2.gz MEIPOJSXZVDANH-ZDUSSCGKSA-N 1 1 315.804 3.830 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc4c(c3)COC4)CC2)cc1 ZINC000770379955 1023300721 /nfs/dbraw/zinc/30/07/21/1023300721.db2.gz LVZOULJJYRWDFD-UHFFFAOYSA-N 1 1 316.404 3.878 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)s2)cc1 ZINC000770720293 1023339768 /nfs/dbraw/zinc/33/97/68/1023339768.db2.gz XLXOHVBCJHNWHN-UHFFFAOYSA-N 1 1 305.406 3.972 20 30 DHEDMO C=CCCCCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)N1CCCC12CC2 ZINC001279830933 1023341029 /nfs/dbraw/zinc/34/10/29/1023341029.db2.gz ALXHDJYHNJFAPT-XLIONFOSSA-N 1 1 316.489 3.742 20 30 DHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000198537484 1023358489 /nfs/dbraw/zinc/35/84/89/1023358489.db2.gz JHUQASVHYVSHEV-LJQANCHMSA-N 1 1 319.408 3.724 20 30 DHEDMO CCCC[N@@H+](CCCSCC#N)[C@H]1CCc2ncsc2C1 ZINC000592188439 1023412471 /nfs/dbraw/zinc/41/24/71/1023412471.db2.gz PGQNGDMXEMCTGM-AWEZNQCLSA-N 1 1 323.531 3.749 20 30 DHEDMO CC(C)C[N@@H+](C[C@@H](C)CCC#N)C[C@@H](O)c1ccc(F)cc1 ZINC000876746135 1033130686 /nfs/dbraw/zinc/13/06/86/1033130686.db2.gz TVBULWABKCECJM-MAUKXSAKSA-N 1 1 306.425 3.757 20 30 DHEDMO CCCCCCC[C@@H](CC)[N@@H+](C)C1CCS(=O)(=O)CC1 ZINC001172354544 1033136988 /nfs/dbraw/zinc/13/69/88/1033136988.db2.gz JORMBHOHQDAPSS-OAHLLOKOSA-N 1 1 303.512 3.635 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000876767664 1033138768 /nfs/dbraw/zinc/13/87/68/1033138768.db2.gz OMBQTBJRQACUNT-INIZCTEOSA-N 1 1 319.836 3.530 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000772384372 1023551636 /nfs/dbraw/zinc/55/16/36/1023551636.db2.gz ZFVMFQWPKWHIMD-UHFFFAOYSA-N 1 1 306.409 3.943 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000772384372 1023551640 /nfs/dbraw/zinc/55/16/40/1023551640.db2.gz ZFVMFQWPKWHIMD-UHFFFAOYSA-N 1 1 306.409 3.943 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)Cc2cccn2C)cc1Cl ZINC000538718356 1033142922 /nfs/dbraw/zinc/14/29/22/1033142922.db2.gz MPZZBOUGFJUUNO-UHFFFAOYSA-N 1 1 304.821 3.875 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2CC)C1 ZINC000661378530 1023584690 /nfs/dbraw/zinc/58/46/90/1023584690.db2.gz IGFIXYWWGWSAAB-INIZCTEOSA-N 1 1 300.446 3.784 20 30 DHEDMO C=CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000785674514 1023602678 /nfs/dbraw/zinc/60/26/78/1023602678.db2.gz BRIVBAUNZBRNCF-INIZCTEOSA-N 1 1 310.482 3.970 20 30 DHEDMO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000785756906 1023614717 /nfs/dbraw/zinc/61/47/17/1023614717.db2.gz OVPBAUCIOKCZKN-JKSUJKDBSA-N 1 1 310.482 3.968 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccccc1Br ZINC000785997739 1023650656 /nfs/dbraw/zinc/65/06/56/1023650656.db2.gz RKUSDRIISFVNLN-SWLSCSKDSA-N 1 1 310.235 3.523 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccccc1Br ZINC000785997739 1023650659 /nfs/dbraw/zinc/65/06/59/1023650659.db2.gz RKUSDRIISFVNLN-SWLSCSKDSA-N 1 1 310.235 3.523 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000538731059 1033154168 /nfs/dbraw/zinc/15/41/68/1033154168.db2.gz UAOBTBBAKLVPMK-UHFFFAOYSA-N 1 1 324.380 3.718 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000538731059 1033154172 /nfs/dbraw/zinc/15/41/72/1033154172.db2.gz UAOBTBBAKLVPMK-UHFFFAOYSA-N 1 1 324.380 3.718 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000093383744 1023694219 /nfs/dbraw/zinc/69/42/19/1023694219.db2.gz RWZWZVIOJJOWEI-AWEZNQCLSA-N 1 1 310.372 3.675 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000093383744 1023694223 /nfs/dbraw/zinc/69/42/23/1023694223.db2.gz RWZWZVIOJJOWEI-AWEZNQCLSA-N 1 1 310.372 3.675 20 30 DHEDMO C[C@H]1CC(=NOCc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000746588960 1023702852 /nfs/dbraw/zinc/70/28/52/1023702852.db2.gz VQJFXZQNSQYIGS-INIZCTEOSA-N 1 1 309.413 3.639 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c1 ZINC000066899690 1023706726 /nfs/dbraw/zinc/70/67/26/1023706726.db2.gz ZZJCFMNLTWTWLB-GOSISDBHSA-N 1 1 320.392 3.667 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)c1ccc(F)cc1C ZINC000746655790 1023767096 /nfs/dbraw/zinc/76/70/96/1023767096.db2.gz YMAUOOVYLWNSGS-QGZVFWFLSA-N 1 1 305.418 3.917 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000787291700 1023780040 /nfs/dbraw/zinc/78/00/40/1023780040.db2.gz WFLXGNVLOJTSRH-LLVKDONJSA-N 1 1 307.319 3.549 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000661874105 1023791293 /nfs/dbraw/zinc/79/12/93/1023791293.db2.gz IFZFMIGZQXEBPN-PKOBYXMFSA-N 1 1 317.860 3.973 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000661873197 1023792301 /nfs/dbraw/zinc/79/23/01/1023792301.db2.gz FNZOOKOLVVVAFJ-IEBWSBKVSA-N 1 1 317.860 3.973 20 30 DHEDMO COC1CCC([N@@H+](C)Cc2ccccc2C(C)(C)C#N)CC1 ZINC000487369224 1023830949 /nfs/dbraw/zinc/83/09/49/1023830949.db2.gz OYUOJSPQWAJLRB-UHFFFAOYSA-N 1 1 300.446 3.877 20 30 DHEDMO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1[C@@H](C)CCCC(C)C ZINC001170083265 1023865246 /nfs/dbraw/zinc/86/52/46/1023865246.db2.gz OGOSLRHQZRRPNW-WMZOPIPTSA-N 1 1 319.493 3.737 20 30 DHEDMO Cc1cc([NH2+]C[C@H](C)CCC#N)ccc1N1CCSCC1 ZINC000876855664 1033168510 /nfs/dbraw/zinc/16/85/10/1033168510.db2.gz YQUMHDSQSJPDSD-CQSZACIVSA-N 1 1 303.475 3.900 20 30 DHEDMO Cc1csc([C@H]2CC[N@@H+](Cc3cc(Cl)cc(C#N)c3)C2)n1 ZINC000931614924 1023890975 /nfs/dbraw/zinc/89/09/75/1023890975.db2.gz HYGQPHSNNMAAQX-AWEZNQCLSA-N 1 1 317.845 3.966 20 30 DHEDMO CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000248741119 1023916012 /nfs/dbraw/zinc/91/60/12/1023916012.db2.gz PXKRBKQGYBSHPG-DNVCBOLYSA-N 1 1 314.429 3.530 20 30 DHEDMO C[N@H+]1CCCC[C@H]1c1ccc(NCc2ccc(C#N)c(F)c2)nc1 ZINC001170090750 1023943104 /nfs/dbraw/zinc/94/31/04/1023943104.db2.gz OLWOBQJWLWXMHV-SFHVURJKSA-N 1 1 324.403 3.861 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859585659 1033174937 /nfs/dbraw/zinc/17/49/37/1033174937.db2.gz BZGWCHXUGOQAHC-JXFKEZNVSA-N 1 1 306.409 3.603 20 30 DHEDMO C[C@@H](C#N)C[N@H+](C)[C@@H]1CCCc2ccc(Br)cc21 ZINC000538781094 1033176259 /nfs/dbraw/zinc/17/62/59/1033176259.db2.gz HGLOROHLWDVAAV-XHDPSFHLSA-N 1 1 307.235 3.918 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](C)[C@@H]1CCCc2ccc(Br)cc21 ZINC000538781094 1033176264 /nfs/dbraw/zinc/17/62/64/1033176264.db2.gz HGLOROHLWDVAAV-XHDPSFHLSA-N 1 1 307.235 3.918 20 30 DHEDMO CC[NH+](CC)[C@H](CNCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000236892858 1023969611 /nfs/dbraw/zinc/96/96/11/1023969611.db2.gz HYZHISOBAWKQEG-NRFANRHFSA-N 1 1 321.468 3.601 20 30 DHEDMO CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000562057897 1024182598 /nfs/dbraw/zinc/18/25/98/1024182598.db2.gz HRDDFOHAUKAMLH-LBPRGKRZSA-N 1 1 307.825 3.661 20 30 DHEDMO C=CCN(C(=O)c1ccc(C[N@H+](CC)CCC)cc1)C(C)C ZINC000728868370 1024189990 /nfs/dbraw/zinc/18/99/90/1024189990.db2.gz JBTJLCBJYOSZEV-UHFFFAOYSA-N 1 1 302.462 3.955 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)cc1 ZINC000128579514 1024214383 /nfs/dbraw/zinc/21/43/83/1024214383.db2.gz MFWIWPHICZTSLY-INIZCTEOSA-N 1 1 312.800 3.865 20 30 DHEDMO CC[N@@H+](Cn1c(C)nnc1-c1cccc(C#N)c1)C1CCCCC1 ZINC000131010772 1024245002 /nfs/dbraw/zinc/24/50/02/1024245002.db2.gz DAUHHWOWANEOKR-UHFFFAOYSA-N 1 1 323.444 3.737 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1c(F)cccc1F ZINC000314507847 1024258801 /nfs/dbraw/zinc/25/88/01/1024258801.db2.gz VMZRNTRKOBDDGP-GFCCVEGCSA-N 1 1 302.324 3.718 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1c(F)cccc1F ZINC000314507848 1024259400 /nfs/dbraw/zinc/25/94/00/1024259400.db2.gz VMZRNTRKOBDDGP-LBPRGKRZSA-N 1 1 302.324 3.718 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)ccc1F ZINC000121545188 1024271799 /nfs/dbraw/zinc/27/17/99/1024271799.db2.gz OMXHLRNGHMRDAD-SFHVURJKSA-N 1 1 324.399 3.736 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)c(F)c1 ZINC000269396641 1024272402 /nfs/dbraw/zinc/27/24/02/1024272402.db2.gz FCKIYLAORMNHRS-OALUTQOASA-N 1 1 310.372 3.707 20 30 DHEDMO CC(=[NH+][N-]c1[nH+]ccn1C)c1ccc(N2CCCCCC2)cc1 ZINC000790299677 1024275430 /nfs/dbraw/zinc/27/54/30/1024275430.db2.gz IGMMEZFGLZVIOU-UHFFFAOYSA-N 1 1 311.433 3.637 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[C@@H](C)C1)[C@H]2CC ZINC001170139439 1024321048 /nfs/dbraw/zinc/32/10/48/1024321048.db2.gz UXPBNHUCWRSOHH-VXNCWWDNSA-N 1 1 304.478 3.597 20 30 DHEDMO C=C(C)CN1CCC([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269901524 1024327080 /nfs/dbraw/zinc/32/70/80/1024327080.db2.gz ZEDWOOWWWBTNTM-KRWDZBQOSA-N 1 1 306.400 3.582 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000893605470 1024350646 /nfs/dbraw/zinc/35/06/46/1024350646.db2.gz GPODIRMEDFWMGW-JTQLQIEISA-N 1 1 324.197 3.851 20 30 DHEDMO N#CCC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453210400 1024402229 /nfs/dbraw/zinc/40/22/29/1024402229.db2.gz JLUTZBVWNCRFRX-VAMGGRTRSA-N 1 1 323.484 3.713 20 30 DHEDMO CC(C)[N@H+]1CC[C@H](CNc2ccc(C(F)(F)F)cc2C#N)C1 ZINC000314973126 1024419307 /nfs/dbraw/zinc/41/93/07/1024419307.db2.gz BKCBHNPRBOBVCU-GFCCVEGCSA-N 1 1 311.351 3.719 20 30 DHEDMO CC(C)OCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001172456492 1033209971 /nfs/dbraw/zinc/20/99/71/1033209971.db2.gz ODRXHDCPKXBQRS-SJLPKXTDSA-N 1 1 316.445 3.605 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3c(O)ccc(Cl)c3F)CC2)c1 ZINC000790982225 1024425157 /nfs/dbraw/zinc/42/51/57/1024425157.db2.gz FIYNLBHXYICHTO-UHFFFAOYSA-N 1 1 316.763 3.835 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)s1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000271192946 1024468287 /nfs/dbraw/zinc/46/82/87/1024468287.db2.gz MOQAOBYIVQWHJG-ARFHVFGLSA-N 1 1 304.459 3.645 20 30 DHEDMO CC#CC[C@H](CO)[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000717803704 1024471144 /nfs/dbraw/zinc/47/11/44/1024471144.db2.gz HMIKFYMSDWVMPP-SECBINFHSA-N 1 1 306.620 3.511 20 30 DHEDMO N#Cc1cccc(C[NH2+][C@H](CN2CCCCC2)c2ccccc2)c1 ZINC000075943889 1024520951 /nfs/dbraw/zinc/52/09/51/1024520951.db2.gz BYIBCURFFGQMAQ-OAQYLSRUSA-N 1 1 319.452 3.875 20 30 DHEDMO Cc1cc(Br)c(C[NH+]2CCC(C)(C#N)CC2)s1 ZINC000453572090 1024537844 /nfs/dbraw/zinc/53/78/44/1024537844.db2.gz NNQINLLRGQAKRR-UHFFFAOYSA-N 1 1 313.264 3.945 20 30 DHEDMO C[C@H]1CCC[N@@H+](CCCCNc2ncc(C#N)cc2Cl)C1 ZINC000339137354 1024573778 /nfs/dbraw/zinc/57/37/78/1024573778.db2.gz RHIGUOIWUGTJLJ-ZDUSSCGKSA-N 1 1 306.841 3.531 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)CC[C@H]1C ZINC001172491917 1033222570 /nfs/dbraw/zinc/22/25/70/1033222570.db2.gz IFPAEDXESHDBDP-OAGGEKHMSA-N 1 1 323.481 3.694 20 30 DHEDMO C[N@H+](CCOc1ccc(Cl)cc1)Cc1cc(C#N)ccc1F ZINC000585762735 1024602837 /nfs/dbraw/zinc/60/28/37/1024602837.db2.gz DDGIQHNETKLCID-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1cc(C#N)ccc1F ZINC000585762735 1024602841 /nfs/dbraw/zinc/60/28/41/1024602841.db2.gz DDGIQHNETKLCID-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[C@@H](CCCC#N)[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001172497293 1033228519 /nfs/dbraw/zinc/22/85/19/1033228519.db2.gz APGPIEKNWUJKHH-LBPRGKRZSA-N 1 1 315.244 3.870 20 30 DHEDMO CC(C)[C@@H]1C[N@H+]([C@H](C)CCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172497167 1033226865 /nfs/dbraw/zinc/22/68/65/1033226865.db2.gz ZBDGOWZREVIGDY-CVEARBPZSA-N 1 1 323.481 3.646 20 30 DHEDMO CCCCCCCCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000792269881 1024657694 /nfs/dbraw/zinc/65/76/94/1024657694.db2.gz XXRITNWWDHQDLJ-UXHICEINSA-N 1 1 323.569 3.695 20 30 DHEDMO CCCCCCCCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000792269881 1024657699 /nfs/dbraw/zinc/65/76/99/1024657699.db2.gz XXRITNWWDHQDLJ-UXHICEINSA-N 1 1 323.569 3.695 20 30 DHEDMO CCn1ccc(C[N@H+](C)Cc2cc(Cl)ccc2OCC#N)c1 ZINC000792315077 1024661628 /nfs/dbraw/zinc/66/16/28/1024661628.db2.gz BNWRLQRAQKAFLM-UHFFFAOYSA-N 1 1 317.820 3.696 20 30 DHEDMO CCn1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2OCC#N)c1 ZINC000792315077 1024661634 /nfs/dbraw/zinc/66/16/34/1024661634.db2.gz BNWRLQRAQKAFLM-UHFFFAOYSA-N 1 1 317.820 3.696 20 30 DHEDMO N#Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2ccncc2)o1 ZINC000349060448 1024669976 /nfs/dbraw/zinc/66/99/76/1024669976.db2.gz GAALVGUDMSEPLH-UHFFFAOYSA-N 1 1 317.392 3.791 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H](C)O ZINC000107042041 1024674662 /nfs/dbraw/zinc/67/46/62/1024674662.db2.gz XUCVAZSEJMBFPU-MRXNPFEDSA-N 1 1 308.425 3.816 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)[C@H]2C)c(C#N)c1C ZINC000475745345 1024697859 /nfs/dbraw/zinc/69/78/59/1024697859.db2.gz VDOCCRUNNCTRAR-NTZNESFSSA-N 1 1 319.474 3.542 20 30 DHEDMO C[C@H](CCCC#N)[NH+]1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC001172498097 1033229228 /nfs/dbraw/zinc/22/92/28/1033229228.db2.gz IPRWBRRRXKRZRN-YLJYHZDGSA-N 1 1 311.473 3.764 20 30 DHEDMO Cc1cccc2nc(CNC(=[NH2+])Nc3cccc(C(C)C)c3)[nH]c21 ZINC000263015899 1024720133 /nfs/dbraw/zinc/72/01/33/1024720133.db2.gz QJVMEGQBTAHVEL-UHFFFAOYSA-N 1 1 321.428 3.922 20 30 DHEDMO C[C@@H](CCCC#N)[NH+]1CC(Oc2cccc(C(F)(F)F)c2)C1 ZINC001172507236 1033233998 /nfs/dbraw/zinc/23/39/98/1033233998.db2.gz QZQZJKFXGJMQFI-LBPRGKRZSA-N 1 1 312.335 3.851 20 30 DHEDMO C=CCCCC[N@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170352830 1024748978 /nfs/dbraw/zinc/74/89/78/1024748978.db2.gz RHPSZGWCFFXHQK-CQSZACIVSA-N 1 1 306.406 3.823 20 30 DHEDMO Cc1cc(Cl)ccc1C1=CC[N@@H+](CCO[C@@H](C)C#N)CC1 ZINC000859799580 1033233779 /nfs/dbraw/zinc/23/37/79/1033233779.db2.gz VPOLTOMOIGFSTM-AWEZNQCLSA-N 1 1 304.821 3.666 20 30 DHEDMO N#CC1(c2ccccc2)CCC(N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC001170386720 1024760945 /nfs/dbraw/zinc/76/09/45/1024760945.db2.gz JZGGNVKPEWSSKM-KBWCOIMZSA-N 1 1 323.484 3.561 20 30 DHEDMO CC(C)O[C@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170396326 1024763884 /nfs/dbraw/zinc/76/38/84/1024763884.db2.gz XZTIJTYSWKFHCS-GPJFCIFZSA-N 1 1 312.457 3.890 20 30 DHEDMO CC[N@@H+](CCn1ccnc1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170399216 1024764424 /nfs/dbraw/zinc/76/44/24/1024764424.db2.gz ZXPGTAFGFNUHEI-UHFFFAOYSA-N 1 1 322.456 3.609 20 30 DHEDMO C[C@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCCC1=O ZINC001170379069 1024767449 /nfs/dbraw/zinc/76/74/49/1024767449.db2.gz OZIDLSJFNZGUGW-VQSBYGRUSA-N 1 1 310.441 3.692 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)CC1 ZINC001170405675 1024769939 /nfs/dbraw/zinc/76/99/39/1024769939.db2.gz NGTQKNCFWBOKND-OMMGITJUSA-N 1 1 322.452 3.692 20 30 DHEDMO CO[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)[C@H](C)C1 ZINC001170406391 1024771938 /nfs/dbraw/zinc/77/19/38/1024771938.db2.gz YEWNWCRSPUGCCW-IHJVYAAUSA-N 1 1 312.457 3.890 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCc3sccc3C2)cc1OC ZINC000349999510 1024778803 /nfs/dbraw/zinc/77/88/03/1024778803.db2.gz CZFGPCNRTJXZJB-UHFFFAOYSA-N 1 1 315.438 3.880 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCc3sccc3C2)cc1OC ZINC000349999510 1024778816 /nfs/dbraw/zinc/77/88/16/1024778816.db2.gz CZFGPCNRTJXZJB-UHFFFAOYSA-N 1 1 315.438 3.880 20 30 DHEDMO CC(C)CO[C@H](C)c1noc(C[N@H+](C)CCCC(C)(C)C#N)n1 ZINC000350042955 1024785077 /nfs/dbraw/zinc/78/50/77/1024785077.db2.gz UTFSDHKFRQVGKO-CQSZACIVSA-N 1 1 322.453 3.565 20 30 DHEDMO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CCCC(C)(C)C#N)n1 ZINC000350042955 1024785082 /nfs/dbraw/zinc/78/50/82/1024785082.db2.gz UTFSDHKFRQVGKO-CQSZACIVSA-N 1 1 322.453 3.565 20 30 DHEDMO CCCCCCC[C@H](CCC)[N@H+]1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001172509236 1033239107 /nfs/dbraw/zinc/23/91/07/1033239107.db2.gz UHOKUNUTGLOVGU-INDMIFKZSA-N 1 1 311.510 3.987 20 30 DHEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001172505499 1033235626 /nfs/dbraw/zinc/23/56/26/1033235626.db2.gz OEVHIHLYDQCHJI-HOTGVXAUSA-N 1 1 303.512 3.635 20 30 DHEDMO CCOc1cc(C)ccc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877087757 1033235773 /nfs/dbraw/zinc/23/57/73/1033235773.db2.gz RGVBSHNFTNDAAU-UHFFFAOYSA-N 1 1 315.804 3.604 20 30 DHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001172511248 1033236784 /nfs/dbraw/zinc/23/67/84/1033236784.db2.gz PFQFWBSQTUHDNM-CVEARBPZSA-N 1 1 303.512 3.635 20 30 DHEDMO C#CC[N@@H+](Cc1cccc(F)c1OC)[C@@H]1CCc2ccccc21 ZINC001143530258 1024839677 /nfs/dbraw/zinc/83/96/77/1024839677.db2.gz PEDXHOFMNVTOIR-LJQANCHMSA-N 1 1 309.384 3.957 20 30 DHEDMO C#CC[N@H+](Cc1cccc(F)c1OC)[C@@H]1CCc2ccccc21 ZINC001143530258 1024839699 /nfs/dbraw/zinc/83/96/99/1024839699.db2.gz PEDXHOFMNVTOIR-LJQANCHMSA-N 1 1 309.384 3.957 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC1CCC2(CC1)OCCO2 ZINC000753706297 1024869448 /nfs/dbraw/zinc/86/94/48/1024869448.db2.gz VXOOSJKAPYGLCJ-UHFFFAOYSA-N 1 1 315.457 3.650 20 30 DHEDMO CCCCCCC[C@@H](C)C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001274928431 1024876898 /nfs/dbraw/zinc/87/68/98/1024876898.db2.gz HHIAEZLURSKEPD-MJGOQNOKSA-N 1 1 308.510 3.927 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1cnn(C)c1C1CC1)c1ccc(F)c(F)c1 ZINC000893667710 1024890313 /nfs/dbraw/zinc/89/03/13/1024890313.db2.gz DNIZJQQEAANEOP-KRWDZBQOSA-N 1 1 317.383 3.983 20 30 DHEDMO C=CCN1c2ccccc2[C@]2(CC[N@H+](C[C@@H](C)CCC)C2)C1=O ZINC001275079515 1024902729 /nfs/dbraw/zinc/90/27/29/1024902729.db2.gz VECJXSALXTYCTL-OXJNMPFZSA-N 1 1 312.457 3.599 20 30 DHEDMO C=C(C)CN1CC[C@]2(CC[N@H+](C[C@H](CC)CCCC)C2)C1=O ZINC001275081219 1024905192 /nfs/dbraw/zinc/90/51/92/1024905192.db2.gz FGZUUCZMWQRRRM-MJGOQNOKSA-N 1 1 306.494 3.703 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+](C[C@@H](C)CCC)CC2)C1=O ZINC001275082008 1024906635 /nfs/dbraw/zinc/90/66/35/1024906635.db2.gz KRQHCNASECTFLP-HKUYNNGSSA-N 1 1 306.494 3.703 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1cccc(Cl)n1 ZINC000793161151 1024906656 /nfs/dbraw/zinc/90/66/56/1024906656.db2.gz IGWLCMFWEPXDMQ-ZDUSSCGKSA-N 1 1 314.820 3.655 20 30 DHEDMO C#CCN1c2ccccc2[C@]2(CC[N@H+](CCCCCCC)C2)C1=O ZINC001275112138 1024916259 /nfs/dbraw/zinc/91/62/59/1024916259.db2.gz ZNWNOPRAPACCTN-OAQYLSRUSA-N 1 1 324.468 3.580 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@@]2(CCN(CC(C)C)C2=O)C1 ZINC001275114144 1024920323 /nfs/dbraw/zinc/92/03/23/1024920323.db2.gz JZBWXMJWEIMUDM-LJQANCHMSA-N 1 1 308.510 3.927 20 30 DHEDMO N#Cc1ccccc1C[NH+]1CCC(C(=O)c2ccccc2)CC1 ZINC000014814010 1024923037 /nfs/dbraw/zinc/92/30/37/1024923037.db2.gz PRHLKUQJIPDRTD-UHFFFAOYSA-N 1 1 304.393 3.653 20 30 DHEDMO C#CCN1CC[C@@]2(CC[N@H+](CCCCCCCCCC)C2)C1=O ZINC001275119994 1024924415 /nfs/dbraw/zinc/92/44/15/1024924415.db2.gz ZURGMFRZWJSWQG-HXUWFJFHSA-N 1 1 318.505 3.685 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+](CCCO)Cc1ccccc1 ZINC000353330565 1025030088 /nfs/dbraw/zinc/03/00/88/1025030088.db2.gz QGNLEXIJQSEDCJ-UHFFFAOYSA-N 1 1 311.425 3.636 20 30 DHEDMO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000353541834 1025115991 /nfs/dbraw/zinc/11/59/91/1025115991.db2.gz IZIWVYNSFZIBRT-UHFFFAOYSA-N 1 1 303.793 3.841 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000793615534 1025131858 /nfs/dbraw/zinc/13/18/58/1025131858.db2.gz STRQBNWGTWBWGB-CVEARBPZSA-N 1 1 324.251 3.714 20 30 DHEDMO C[C@@]12CC[N@H+](Cc3cc(C#N)cs3)C[C@@H]1C2(Cl)Cl ZINC000793617959 1025132699 /nfs/dbraw/zinc/13/26/99/1025132699.db2.gz ZCYZOGMNJVSFPC-NWDGAFQWSA-N 1 1 301.242 3.635 20 30 DHEDMO C[C@@]12CC[N@@H+](Cc3cc(C#N)cs3)C[C@@H]1C2(Cl)Cl ZINC000793617959 1025132708 /nfs/dbraw/zinc/13/27/08/1025132708.db2.gz ZCYZOGMNJVSFPC-NWDGAFQWSA-N 1 1 301.242 3.635 20 30 DHEDMO Cc1ccc2nc(C[N@@H+]3CCc4cc(C#N)ccc4C3)ccc2c1 ZINC001137211699 1025155975 /nfs/dbraw/zinc/15/59/75/1025155975.db2.gz XLKXFDSHPBNCTR-UHFFFAOYSA-N 1 1 313.404 3.973 20 30 DHEDMO Cc1ccc2nc(C[N@H+]3CCc4cc(C#N)ccc4C3)ccc2c1 ZINC001137211699 1025155982 /nfs/dbraw/zinc/15/59/82/1025155982.db2.gz XLKXFDSHPBNCTR-UHFFFAOYSA-N 1 1 313.404 3.973 20 30 DHEDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)[nH]1 ZINC000353648336 1025176047 /nfs/dbraw/zinc/17/60/47/1025176047.db2.gz YSYCTTNANBAPFS-OZVIIMIRSA-N 1 1 309.417 3.528 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000353744063 1025222638 /nfs/dbraw/zinc/22/26/38/1025222638.db2.gz FAVZVLPPFPKXEB-IBGZPJMESA-N 1 1 301.430 3.644 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@@H](C)C[C@@H]2C)cc1OCCCC#N ZINC000353742888 1025222955 /nfs/dbraw/zinc/22/29/55/1025222955.db2.gz BDRAPHZNNYDGCJ-GJZGRUSLSA-N 1 1 302.418 3.608 20 30 DHEDMO CCn1nc(C)c(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1C ZINC000353947771 1025302775 /nfs/dbraw/zinc/30/27/75/1025302775.db2.gz PCHQZANRUKMKFU-UYAOXDASSA-N 1 1 322.456 3.792 20 30 DHEDMO CCn1nc(C)c(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1C ZINC000353947771 1025302782 /nfs/dbraw/zinc/30/27/82/1025302782.db2.gz PCHQZANRUKMKFU-UYAOXDASSA-N 1 1 322.456 3.792 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2coc3ccccc23)C1=O ZINC001275293305 1025316607 /nfs/dbraw/zinc/31/66/07/1025316607.db2.gz OTKFNMOCCMZMBS-HXUWFJFHSA-N 1 1 324.424 3.576 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2coc3ccccc23)C1=O ZINC001275293304 1025317155 /nfs/dbraw/zinc/31/71/55/1025317155.db2.gz OTKFNMOCCMZMBS-FQEVSTJZSA-N 1 1 324.424 3.576 20 30 DHEDMO C=C(CC)C[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000539097827 1033273888 /nfs/dbraw/zinc/27/38/88/1033273888.db2.gz QKRODGPOCMCJEW-CYBMUJFWSA-N 1 1 300.324 3.520 20 30 DHEDMO CC[N@@H+](CC(C)(C)CCC#N)[C@H](COC)Cc1ccccc1 ZINC000354053859 1025336820 /nfs/dbraw/zinc/33/68/20/1025336820.db2.gz OQUKARPRSMFUCD-SFHVURJKSA-N 1 1 302.462 3.896 20 30 DHEDMO C=C(CC)C[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000539097828 1033275818 /nfs/dbraw/zinc/27/58/18/1033275818.db2.gz QKRODGPOCMCJEW-ZDUSSCGKSA-N 1 1 300.324 3.520 20 30 DHEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC001168234053 1025359698 /nfs/dbraw/zinc/35/96/98/1025359698.db2.gz JSUFHLDJUONOJJ-JKIFEVAISA-N 1 1 316.420 3.578 20 30 DHEDMO CCCCOc1cc(C[NH+]2CCC(C#N)CC2)ccc1OC ZINC000123710178 1025394943 /nfs/dbraw/zinc/39/49/43/1025394943.db2.gz BWVFQBVCSVLFDL-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2sccc2Cl)C1=O ZINC001275313909 1025397585 /nfs/dbraw/zinc/39/75/85/1025397585.db2.gz IVZLKDLMPRESDQ-INIZCTEOSA-N 1 1 324.877 3.545 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2sccc2Cl)C1=O ZINC001275313909 1025397597 /nfs/dbraw/zinc/39/75/97/1025397597.db2.gz IVZLKDLMPRESDQ-INIZCTEOSA-N 1 1 324.877 3.545 20 30 DHEDMO C[N@H+](Cc1csc2ccccc12)C[C@H](O)CC1(C#N)CCC1 ZINC000885953784 1025416500 /nfs/dbraw/zinc/41/65/00/1025416500.db2.gz GABCAQBAOIECSN-OAHLLOKOSA-N 1 1 314.454 3.778 20 30 DHEDMO C=CCCCCC[N@@H+]1CCCC[C@]12CC(=O)N([C@@H](C)CC)C2 ZINC001275323446 1025422287 /nfs/dbraw/zinc/42/22/87/1025422287.db2.gz BJAAFKMMZUUSFX-PKOBYXMFSA-N 1 1 306.494 3.988 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H](c3ccccc3)CC2)CCC1 ZINC000885983628 1025427504 /nfs/dbraw/zinc/42/75/04/1025427504.db2.gz KYNMKLXTVQVXNG-MOPGFXCFSA-N 1 1 312.457 3.701 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000886008515 1025436706 /nfs/dbraw/zinc/43/67/06/1025436706.db2.gz OOVAABGKYHMOCB-RHSMWYFYSA-N 1 1 320.383 3.547 20 30 DHEDMO C=CCCCCC[N@H+]1CCC[C@]12CCN(CC1CCCC1)C2=O ZINC001275328864 1025436901 /nfs/dbraw/zinc/43/69/01/1025436901.db2.gz FBXDOAKHUDHLDE-HXUWFJFHSA-N 1 1 318.505 3.990 20 30 DHEDMO C=CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2[C@@H](C)CC ZINC001275329000 1025437719 /nfs/dbraw/zinc/43/77/19/1025437719.db2.gz JDGRGELZFIXVHG-RCCFBDPRSA-N 1 1 306.494 3.987 20 30 DHEDMO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1CCCC#N ZINC000125572201 1025485492 /nfs/dbraw/zinc/48/54/92/1025485492.db2.gz LFDAYLUFASODAH-CQSZACIVSA-N 1 1 308.857 3.942 20 30 DHEDMO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@H+]1CCCC#N ZINC000125572201 1025485499 /nfs/dbraw/zinc/48/54/99/1025485499.db2.gz LFDAYLUFASODAH-CQSZACIVSA-N 1 1 308.857 3.942 20 30 DHEDMO Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC001137119398 1033285663 /nfs/dbraw/zinc/28/56/63/1033285663.db2.gz LSCKBGKBIHIHIB-LJQANCHMSA-N 1 1 322.408 3.551 20 30 DHEDMO C[C@@]1(Cc2ccccc2)CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886138360 1025526162 /nfs/dbraw/zinc/52/61/62/1025526162.db2.gz IUSSOBURYPMFKY-MOPGFXCFSA-N 1 1 312.457 3.528 20 30 DHEDMO CC[C@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000127107310 1025527364 /nfs/dbraw/zinc/52/73/64/1025527364.db2.gz QVCVISXQVGSKDW-INIZCTEOSA-N 1 1 323.440 3.860 20 30 DHEDMO Cc1ccc([C@H]2CC[N@@H+](C[C@@H](O)CC3(C#N)CCC3)C2)c(C)c1 ZINC000886181299 1025552881 /nfs/dbraw/zinc/55/28/81/1025552881.db2.gz JGCBDZKFSQWHHT-ROUUACIJSA-N 1 1 312.457 3.538 20 30 DHEDMO CC[C@H](c1ccccc1OC)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886207745 1025558509 /nfs/dbraw/zinc/55/85/09/1025558509.db2.gz LDWCVGBXAJVDHU-NVXWUHKLSA-N 1 1 316.445 3.523 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)CCC1 ZINC000886247731 1025569987 /nfs/dbraw/zinc/56/99/87/1025569987.db2.gz ZNLGKDWQOABEHB-OALUTQOASA-N 1 1 324.468 3.701 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](CC)CCC1CC1 ZINC000355061285 1025594948 /nfs/dbraw/zinc/59/49/48/1025594948.db2.gz IWZCWGYIOAKBKJ-OAHLLOKOSA-N 1 1 320.502 3.773 20 30 DHEDMO N#C[C@@H]1CCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001143544764 1025612135 /nfs/dbraw/zinc/61/21/35/1025612135.db2.gz JDRYHAWLHLPZAK-LLVKDONJSA-N 1 1 316.298 3.850 20 30 DHEDMO N#C[C@@H]1CCC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001143544764 1025612140 /nfs/dbraw/zinc/61/21/40/1025612140.db2.gz JDRYHAWLHLPZAK-LLVKDONJSA-N 1 1 316.298 3.850 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](Cc3cccc4cc[nH]c43)CCO2)c1 ZINC000355135616 1025613566 /nfs/dbraw/zinc/61/35/66/1025613566.db2.gz OOXMGEMWZMDAIZ-LJQANCHMSA-N 1 1 317.392 3.613 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3cccc4cc[nH]c43)CCO2)c1 ZINC000355135616 1025613573 /nfs/dbraw/zinc/61/35/73/1025613573.db2.gz OOXMGEMWZMDAIZ-LJQANCHMSA-N 1 1 317.392 3.613 20 30 DHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000072875847 1025767819 /nfs/dbraw/zinc/76/78/19/1025767819.db2.gz QKKASMMHUJIVEY-KBPBESRZSA-N 1 1 317.458 3.504 20 30 DHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000072875847 1025767835 /nfs/dbraw/zinc/76/78/35/1025767835.db2.gz QKKASMMHUJIVEY-KBPBESRZSA-N 1 1 317.458 3.504 20 30 DHEDMO Cc1cccc([C@H]2CCC[N@H+]2CCCOc2ccc(C#N)cc2)n1 ZINC000178673207 1025769176 /nfs/dbraw/zinc/76/91/76/1025769176.db2.gz MGQDTPVBWSNLIF-HXUWFJFHSA-N 1 1 321.424 3.868 20 30 DHEDMO Cc1csc(C[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC000886692454 1025797882 /nfs/dbraw/zinc/79/78/82/1025797882.db2.gz ZCNSDFXKDTYTDW-QGZVFWFLSA-N 1 1 311.454 3.778 20 30 DHEDMO Cc1csc(C[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)n1 ZINC000886692296 1025800185 /nfs/dbraw/zinc/80/01/85/1025800185.db2.gz VTBVNTHXRAFSLE-QGZVFWFLSA-N 1 1 311.454 3.778 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000614183148 1025820844 /nfs/dbraw/zinc/82/08/44/1025820844.db2.gz ZUXVNDZLFSZCTJ-IBGZPJMESA-N 1 1 312.457 3.879 20 30 DHEDMO C=CCCC[N@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000076733670 1025879615 /nfs/dbraw/zinc/87/96/15/1025879615.db2.gz JVYRDQRYNAWPFD-UHFFFAOYSA-N 1 1 300.446 3.711 20 30 DHEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2OC)cc1 ZINC000120474060 1025921007 /nfs/dbraw/zinc/92/10/07/1025921007.db2.gz VLYFKCOIHYTYEF-CQSZACIVSA-N 1 1 310.397 3.768 20 30 DHEDMO C[C@@H]1CCN(Cc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000354011173 1025925394 /nfs/dbraw/zinc/92/53/94/1025925394.db2.gz UGUGSGDTUZAAGG-GOSISDBHSA-N 1 1 319.452 3.655 20 30 DHEDMO COc1ccc(C[N@@H+](C)CCC2(C#N)CCCCC2)cc1O ZINC000411341363 1025964903 /nfs/dbraw/zinc/96/49/03/1025964903.db2.gz ZDSKSWIUJPYVTB-UHFFFAOYSA-N 1 1 302.418 3.697 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000084138604 1025993957 /nfs/dbraw/zinc/99/39/57/1025993957.db2.gz JOBGCBJEIRUERG-UHFFFAOYSA-N 1 1 300.299 3.862 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000084138604 1025993975 /nfs/dbraw/zinc/99/39/75/1025993975.db2.gz JOBGCBJEIRUERG-UHFFFAOYSA-N 1 1 300.299 3.862 20 30 DHEDMO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000356412083 1026042972 /nfs/dbraw/zinc/04/29/72/1026042972.db2.gz MATYJWZTOJXUKG-ZUZCIYMTSA-N 1 1 321.833 3.534 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCS1 ZINC000356434127 1026047755 /nfs/dbraw/zinc/04/77/55/1026047755.db2.gz WCRFEIFKQPCMRJ-NSHDSACASA-N 1 1 314.376 3.904 20 30 DHEDMO C[C@H](c1cnn(C)c1)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356442037 1026053289 /nfs/dbraw/zinc/05/32/89/1026053289.db2.gz TVIAOVIVCSJLNB-LLVKDONJSA-N 1 1 322.334 3.504 20 30 DHEDMO C[C@H](c1cnn(C)c1)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356442037 1026053303 /nfs/dbraw/zinc/05/33/03/1026053303.db2.gz TVIAOVIVCSJLNB-LLVKDONJSA-N 1 1 322.334 3.504 20 30 DHEDMO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000245567248 1026080631 /nfs/dbraw/zinc/08/06/31/1026080631.db2.gz UGPZZUSUEBTOQV-MSOLQXFVSA-N 1 1 305.510 3.903 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000245567248 1026080650 /nfs/dbraw/zinc/08/06/50/1026080650.db2.gz UGPZZUSUEBTOQV-MSOLQXFVSA-N 1 1 305.510 3.903 20 30 DHEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000532968058 1026153072 /nfs/dbraw/zinc/15/30/72/1026153072.db2.gz QIJMQEGWCSKOFU-YJBOKZPZSA-N 1 1 313.445 3.787 20 30 DHEDMO N#CCSCCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000121889211 1026160961 /nfs/dbraw/zinc/16/09/61/1026160961.db2.gz ZJJZNKDUUKYWKE-CVEARBPZSA-N 1 1 322.474 3.595 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2CC[C@@H]2CC=C(C)C2(C)C)C1=O ZINC001275504005 1026171063 /nfs/dbraw/zinc/17/10/63/1026171063.db2.gz JJRPCXVXELLSHK-PXNSSMCTSA-N 1 1 316.489 3.622 20 30 DHEDMO C=CC[N@H+](CCOc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000614351503 1026204933 /nfs/dbraw/zinc/20/49/33/1026204933.db2.gz ASNXXRMYAYEACG-UHFFFAOYSA-N 1 1 315.388 3.901 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2ccc(C#N)cn2)cc1 ZINC000052183854 1026224758 /nfs/dbraw/zinc/22/47/58/1026224758.db2.gz LMNVORATERYZOF-MRXNPFEDSA-N 1 1 320.440 3.940 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](C3CC3)C2)c(O)c(OC)c1 ZINC000808230955 1026231893 /nfs/dbraw/zinc/23/18/93/1026231893.db2.gz UPVDUJAKAKJFSI-MRXNPFEDSA-N 1 1 301.430 3.751 20 30 DHEDMO COC(=O)[C@@H]1CC[C@H]([N@@H+](CCC#N)C2CCCCCCC2)C1 ZINC001170551707 1026276191 /nfs/dbraw/zinc/27/61/91/1026276191.db2.gz WVFIRTIPDLTYKO-WBVHZDCISA-N 1 1 306.450 3.657 20 30 DHEDMO Cc1cc(C#N)ccc1CN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000614401888 1026296492 /nfs/dbraw/zinc/29/64/92/1026296492.db2.gz NSJHVMFUXYHDHG-FUHIMQAGSA-N 1 1 311.473 3.704 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000614406782 1026302005 /nfs/dbraw/zinc/30/20/05/1026302005.db2.gz SXQZLFNZHHINII-NRFANRHFSA-N 1 1 318.420 3.888 20 30 DHEDMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)c1 ZINC000120625253 1026340383 /nfs/dbraw/zinc/34/03/83/1026340383.db2.gz WRGNSLASYQUBJO-KRWDZBQOSA-N 1 1 312.369 3.506 20 30 DHEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc(C#N)o2)c1 ZINC000120625253 1026340392 /nfs/dbraw/zinc/34/03/92/1026340392.db2.gz WRGNSLASYQUBJO-KRWDZBQOSA-N 1 1 312.369 3.506 20 30 DHEDMO CCCC[N@@H+](CC)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000747529991 1026391085 /nfs/dbraw/zinc/39/10/85/1026391085.db2.gz GZAAAWOOXYTRBV-UHFFFAOYSA-N 1 1 315.461 3.672 20 30 DHEDMO C#Cc1ccc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000809539116 1026548000 /nfs/dbraw/zinc/54/80/00/1026548000.db2.gz YUCWWBMTZDPCHD-UHFFFAOYSA-N 1 1 301.336 3.901 20 30 DHEDMO C#Cc1ccc(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000809568925 1026552319 /nfs/dbraw/zinc/55/23/19/1026552319.db2.gz ZILBHFWPHYVHID-UHFFFAOYSA-N 1 1 318.464 3.764 20 30 DHEDMO C#Cc1ccc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000809593990 1026569505 /nfs/dbraw/zinc/56/95/05/1026569505.db2.gz SKZHIUPKVIZWAR-OAQYLSRUSA-N 1 1 305.421 3.502 20 30 DHEDMO C#C[C@H](C)[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000809682955 1026591567 /nfs/dbraw/zinc/59/15/67/1026591567.db2.gz JWILAOJZCYSRBB-NSHDSACASA-N 1 1 322.239 3.658 20 30 DHEDMO C#CC[N@H+](Cc1c[nH]nc1-c1ccccc1F)Cc1ccccc1 ZINC000809718607 1026603508 /nfs/dbraw/zinc/60/35/08/1026603508.db2.gz WUMYUCQBVVRODQ-UHFFFAOYSA-N 1 1 319.383 3.851 20 30 DHEDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809765106 1026621234 /nfs/dbraw/zinc/62/12/34/1026621234.db2.gz LBLWEHSEXOVBLA-HNAYVOBHSA-N 1 1 309.413 3.956 20 30 DHEDMO C#CC[N@H+](CC(=O)NCCCC1CCCCC1)C1CCCCC1 ZINC001307444507 1026626228 /nfs/dbraw/zinc/62/62/28/1026626228.db2.gz DJGAYNUVIYGMMX-UHFFFAOYSA-N 1 1 318.505 3.731 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC000810048511 1026668044 /nfs/dbraw/zinc/66/80/44/1026668044.db2.gz ICPZLPQIZPAPMI-GDBMZVCRSA-N 1 1 324.262 3.771 20 30 DHEDMO Cc1c[nH]nc1C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000810146908 1026693660 /nfs/dbraw/zinc/69/36/60/1026693660.db2.gz YRKXNZOPMGWPGT-UHFFFAOYSA-N 1 1 308.410 3.608 20 30 DHEDMO Cc1oc(C#N)cc1C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000366677071 1026852618 /nfs/dbraw/zinc/85/26/18/1026852618.db2.gz OJIBOWYHHXEABN-UHFFFAOYSA-N 1 1 323.396 3.684 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)ccc1C#N ZINC000421393978 1026980982 /nfs/dbraw/zinc/98/09/82/1026980982.db2.gz SBIYNJYKPJFNAB-ZDUSSCGKSA-N 1 1 312.335 3.731 20 30 DHEDMO CC(C)C[C@H](C[N@H+](C[C@@H](C)C#N)C1CC1)NC(=O)OC(C)(C)C ZINC000811465832 1027007467 /nfs/dbraw/zinc/00/74/67/1027007467.db2.gz OUTLFPPAUVQHKL-LSDHHAIUSA-N 1 1 323.481 3.550 20 30 DHEDMO CC(C)C[C@H](C[N@@H+](C[C@@H](C)C#N)C1CC1)NC(=O)OC(C)(C)C ZINC000811465832 1027007472 /nfs/dbraw/zinc/00/74/72/1027007472.db2.gz OUTLFPPAUVQHKL-LSDHHAIUSA-N 1 1 323.481 3.550 20 30 DHEDMO CC(C)c1nccnc1N=NC1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000811649622 1027050951 /nfs/dbraw/zinc/05/09/51/1027050951.db2.gz SKVLZCHFKDNODQ-OAHLLOKOSA-N 1 1 323.444 3.662 20 30 DHEDMO C[N@@H+]1CC[C@@H](NCc2ccc(C#N)s2)C[C@H]1c1ccccc1 ZINC000421891018 1027079973 /nfs/dbraw/zinc/07/99/73/1027079973.db2.gz VSMIEMYVYCORKO-QAPCUYQASA-N 1 1 311.454 3.545 20 30 DHEDMO C[N@H+]1CC[C@@H](NCc2ccc(C#N)s2)C[C@H]1c1ccccc1 ZINC000421891018 1027079980 /nfs/dbraw/zinc/07/99/80/1027079980.db2.gz VSMIEMYVYCORKO-QAPCUYQASA-N 1 1 311.454 3.545 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCc2ccccc2C1 ZINC000571503727 1027129969 /nfs/dbraw/zinc/12/99/69/1027129969.db2.gz NSDMOBOZMKFSPF-FQEVSTJZSA-N 1 1 305.425 3.723 20 30 DHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)CCOc2cccc(C#N)c2)C1 ZINC000362384820 1027176497 /nfs/dbraw/zinc/17/64/97/1027176497.db2.gz MFYGYHNWVJWQRO-RDJZCZTQSA-N 1 1 304.459 3.543 20 30 DHEDMO N#Cc1cncc(C[N@H+]2CCCSC[C@@H]2c2ccccc2)c1 ZINC000931694973 1027218905 /nfs/dbraw/zinc/21/89/05/1027218905.db2.gz PYCALTBTVKXWTN-GOSISDBHSA-N 1 1 309.438 3.633 20 30 DHEDMO CCCCOC1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000362457624 1027218810 /nfs/dbraw/zinc/21/88/10/1027218810.db2.gz ZWZLFSAXVRNMIJ-UHFFFAOYSA-N 1 1 311.429 3.592 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931913900 1027303095 /nfs/dbraw/zinc/30/30/95/1027303095.db2.gz QCARXDMMJNKBPR-SMDDNHRTSA-N 1 1 312.310 3.986 20 30 DHEDMO C=CCCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000812495492 1027303862 /nfs/dbraw/zinc/30/38/62/1027303862.db2.gz PYRZSQKVWFGGPF-ROUUACIJSA-N 1 1 323.525 3.885 20 30 DHEDMO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](CCC#N)c1ccccc1 ZINC000422997901 1027386620 /nfs/dbraw/zinc/38/66/20/1027386620.db2.gz PCTVNZFNYVQWAT-BEFAXECRSA-N 1 1 308.429 3.544 20 30 DHEDMO C=CCSc1ccccc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000362817437 1027399278 /nfs/dbraw/zinc/39/92/78/1027399278.db2.gz LJXQTOKAUVDMAW-CABCVRRESA-N 1 1 318.486 3.519 20 30 DHEDMO N#CCC1(C[N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)CC1 ZINC000932187327 1027400715 /nfs/dbraw/zinc/40/07/15/1027400715.db2.gz CPDGKSSXPOXUCM-ZDUSSCGKSA-N 1 1 301.459 3.505 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)ccc1F ZINC000932195351 1027407782 /nfs/dbraw/zinc/40/77/82/1027407782.db2.gz BFUPDIRESAETFP-CYBMUJFWSA-N 1 1 315.417 3.609 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)s1 ZINC000932199709 1027409595 /nfs/dbraw/zinc/40/95/95/1027409595.db2.gz ZTXVUYMROIECBV-LBPRGKRZSA-N 1 1 303.456 3.531 20 30 DHEDMO CCC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C(C)C ZINC000575811918 1027506651 /nfs/dbraw/zinc/50/66/51/1027506651.db2.gz DTOJWDHXZGGARV-UHFFFAOYSA-N 1 1 315.461 3.671 20 30 DHEDMO C=CC[C@H](C(=O)N(CC)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000576135287 1027570220 /nfs/dbraw/zinc/57/02/20/1027570220.db2.gz DMFOWHIMJLDLLX-OALUTQOASA-N 1 1 314.473 3.679 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706370 1027633767 /nfs/dbraw/zinc/63/37/67/1027633767.db2.gz CCJNJSUAPFTCCK-KRWDZBQOSA-N 1 1 312.363 3.826 20 30 DHEDMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000576645846 1027644032 /nfs/dbraw/zinc/64/40/32/1027644032.db2.gz HEFIZYIZUDEFGT-FQEVSTJZSA-N 1 1 306.409 3.749 20 30 DHEDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000576645846 1027644040 /nfs/dbraw/zinc/64/40/40/1027644040.db2.gz HEFIZYIZUDEFGT-FQEVSTJZSA-N 1 1 306.409 3.749 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c(Cl)c1 ZINC000933081760 1027672236 /nfs/dbraw/zinc/67/22/36/1027672236.db2.gz PSDSCYUSHWJIQR-MRXNPFEDSA-N 1 1 318.848 3.850 20 30 DHEDMO CCCCCCC[C@H](C)CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000813591971 1027673693 /nfs/dbraw/zinc/67/36/93/1027673693.db2.gz BBIHHJHUARMGRB-PKOBYXMFSA-N 1 1 323.525 3.720 20 30 DHEDMO Cc1csc(C[C@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC000933133071 1027683102 /nfs/dbraw/zinc/68/31/02/1027683102.db2.gz XJFDUBKQCRIIOU-CYBMUJFWSA-N 1 1 315.417 3.527 20 30 DHEDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC000933133071 1027683111 /nfs/dbraw/zinc/68/31/11/1027683111.db2.gz XJFDUBKQCRIIOU-CYBMUJFWSA-N 1 1 315.417 3.527 20 30 DHEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC/C=C\CC ZINC001275844984 1027689581 /nfs/dbraw/zinc/68/95/81/1027689581.db2.gz XNDJTSIRYXRONQ-VOFKWLDRSA-N 1 1 304.478 3.766 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(C#N)cc1 ZINC000778158101 1027702408 /nfs/dbraw/zinc/70/24/08/1027702408.db2.gz HGJKWOQFSZOJLZ-UHFFFAOYSA-N 1 1 310.784 3.513 20 30 DHEDMO C#CCC1([NH2+]Cc2noc(-c3c(F)cccc3Cl)n2)CCC1 ZINC000933294450 1027713346 /nfs/dbraw/zinc/71/33/46/1027713346.db2.gz JYLMBFFYYBKYJJ-UHFFFAOYSA-N 1 1 319.767 3.565 20 30 DHEDMO CC[C@@H]1CCCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000577580433 1027827932 /nfs/dbraw/zinc/82/79/32/1027827932.db2.gz QCBCEHOPOHUUJL-MRXNPFEDSA-N 1 1 310.401 3.763 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(O)c(OC)c1 ZINC000298319741 1027900410 /nfs/dbraw/zinc/90/04/10/1027900410.db2.gz SBRSQVQJCVVNJA-UHFFFAOYSA-N 1 1 313.397 3.598 20 30 DHEDMO Cn1cc(C[N@H+](C)[C@@H](c2ccccc2)c2ccccn2)cc1C#N ZINC000365275728 1027914140 /nfs/dbraw/zinc/91/41/40/1027914140.db2.gz PACCFDGXMYTWEG-FQEVSTJZSA-N 1 1 316.408 3.513 20 30 DHEDMO Cn1cc(C[N@@H+](C)[C@@H](c2ccccc2)c2ccccn2)cc1C#N ZINC000365275728 1027914152 /nfs/dbraw/zinc/91/41/52/1027914152.db2.gz PACCFDGXMYTWEG-FQEVSTJZSA-N 1 1 316.408 3.513 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](CSC)C2)cc1 ZINC000814178763 1027915144 /nfs/dbraw/zinc/91/51/44/1027915144.db2.gz CJQYWSWXMQFPJM-QGZVFWFLSA-N 1 1 303.471 3.664 20 30 DHEDMO COCCSCCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000365504114 1027957250 /nfs/dbraw/zinc/95/72/50/1027957250.db2.gz ASPBFCZDYJHKRC-MSOLQXFVSA-N 1 1 318.486 3.528 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c(Cl)c1 ZINC000934331751 1027965945 /nfs/dbraw/zinc/96/59/45/1027965945.db2.gz ODVYAPLKAFFWOZ-ZDUSSCGKSA-N 1 1 317.845 3.733 20 30 DHEDMO C[C@H](NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000527953347 1027986001 /nfs/dbraw/zinc/98/60/01/1027986001.db2.gz WNWWZPWCPVBUOR-KBXCAEBGSA-N 1 1 315.436 3.755 20 30 DHEDMO C[C@H](NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000527953347 1027986014 /nfs/dbraw/zinc/98/60/14/1027986014.db2.gz WNWWZPWCPVBUOR-KBXCAEBGSA-N 1 1 315.436 3.755 20 30 DHEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000934466177 1028011009 /nfs/dbraw/zinc/01/10/09/1028011009.db2.gz PWLNDBXQTHXZGP-GFCCVEGCSA-N 1 1 312.385 3.590 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000934466177 1028011030 /nfs/dbraw/zinc/01/10/30/1028011030.db2.gz PWLNDBXQTHXZGP-GFCCVEGCSA-N 1 1 312.385 3.590 20 30 DHEDMO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000934473202 1028014715 /nfs/dbraw/zinc/01/47/15/1028014715.db2.gz XWEBYSICUDMFHV-RHSMWYFYSA-N 1 1 300.446 3.789 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000934473202 1028014728 /nfs/dbraw/zinc/01/47/28/1028014728.db2.gz XWEBYSICUDMFHV-RHSMWYFYSA-N 1 1 300.446 3.789 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934489485 1028020811 /nfs/dbraw/zinc/02/08/11/1028020811.db2.gz CHQFILWPMMSSNC-INIZCTEOSA-N 1 1 312.461 3.586 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1 ZINC000366574515 1028100278 /nfs/dbraw/zinc/10/02/78/1028100278.db2.gz YKLAONQYYSRNLX-BEFAXECRSA-N 1 1 321.424 3.956 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1 ZINC000366574515 1028100288 /nfs/dbraw/zinc/10/02/88/1028100288.db2.gz YKLAONQYYSRNLX-BEFAXECRSA-N 1 1 321.424 3.956 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000934757850 1028103311 /nfs/dbraw/zinc/10/33/11/1028103311.db2.gz BNOAWHZJAXAFTN-SVFBPWRDSA-N 1 1 324.468 3.938 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N(CCC)[C@H]2CC[N@@H+](C)C2)c1 ZINC000934885155 1028141822 /nfs/dbraw/zinc/14/18/22/1028141822.db2.gz POWKAWICYVBJAU-KRWDZBQOSA-N 1 1 301.434 3.668 20 30 DHEDMO CCc1ccc([C@H]2CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000814642859 1028146053 /nfs/dbraw/zinc/14/60/53/1028146053.db2.gz UEAKAZVDFLVSBU-LEWJYISDSA-N 1 1 320.436 3.644 20 30 DHEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000783638706 1028147027 /nfs/dbraw/zinc/14/70/27/1028147027.db2.gz JLOFVQLZOOZKCS-UHFFFAOYSA-N 1 1 319.723 3.549 20 30 DHEDMO CC[C@H](CSC)[N@@H+](C)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000367365870 1028172378 /nfs/dbraw/zinc/17/23/78/1028172378.db2.gz SWDLGGILIFLDAS-OAHLLOKOSA-N 1 1 315.442 3.787 20 30 DHEDMO CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC[C@@H](Oc4cccc(C#N)c4)C3)C[C@@H]21 ZINC001170760755 1028178344 /nfs/dbraw/zinc/17/83/44/1028178344.db2.gz JBJBVXOXZWONDD-OWYHZJEWSA-N 1 1 310.441 3.836 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000217200376 1028221058 /nfs/dbraw/zinc/22/10/58/1028221058.db2.gz OZSHTYJHVRAYKS-HNNXBMFYSA-N 1 1 314.429 3.850 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2ccoc21 ZINC000449017261 1028250138 /nfs/dbraw/zinc/25/01/38/1028250138.db2.gz XZYROXLVQJSINK-UHFFFAOYSA-N 1 1 320.392 3.953 20 30 DHEDMO CC(=[NH+]Nc1c(C)cc(C)cc1C)c1cc([N+](=O)[O-])ccc1N ZINC000814859898 1028250295 /nfs/dbraw/zinc/25/02/95/1028250295.db2.gz GAEUGBWJOHGQRK-UHFFFAOYSA-N 1 1 312.373 3.938 20 30 DHEDMO CC(=NNc1cc[nH+]cc1)c1sc(Cc2ccccc2)nc1C ZINC000814899565 1028268627 /nfs/dbraw/zinc/26/86/27/1028268627.db2.gz BPYMHHCMXWMMII-UHFFFAOYSA-N 1 1 322.437 3.695 20 30 DHEDMO COc1ccccc1CO[NH+]=C(C)c1ccc(Cl)c(N)c1 ZINC000814923440 1028282673 /nfs/dbraw/zinc/28/26/73/1028282673.db2.gz HXMOWXNFSQPLAL-UHFFFAOYSA-N 1 1 304.777 3.872 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](Cc3cccc4ccoc43)CCO2)c1 ZINC000449040691 1028288802 /nfs/dbraw/zinc/28/88/02/1028288802.db2.gz JKLYCQPEBHMNDW-LJQANCHMSA-N 1 1 318.376 3.878 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3cccc4ccoc43)CCO2)c1 ZINC000449040691 1028288817 /nfs/dbraw/zinc/28/88/17/1028288817.db2.gz JKLYCQPEBHMNDW-LJQANCHMSA-N 1 1 318.376 3.878 20 30 DHEDMO CCc1[nH+]c(CN=Nc2ccc(F)c(F)c2F)c2ccccn21 ZINC000814946282 1028302266 /nfs/dbraw/zinc/30/22/66/1028302266.db2.gz JBGMAOIEHHGZJZ-UHFFFAOYSA-N 1 1 318.302 3.760 20 30 DHEDMO C#CC[N@H+](Cc1ccnc(Br)c1)C1CCCCC1 ZINC000815028293 1028337984 /nfs/dbraw/zinc/33/79/84/1028337984.db2.gz WVLJSQKBTQSBIS-UHFFFAOYSA-N 1 1 307.235 3.612 20 30 DHEDMO N#CCCOCC[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000815035141 1028340596 /nfs/dbraw/zinc/34/05/96/1028340596.db2.gz AHDPDCZAHDUSKC-HNNXBMFYSA-N 1 1 312.335 3.773 20 30 DHEDMO C#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000368578174 1028376446 /nfs/dbraw/zinc/37/64/46/1028376446.db2.gz KOVPGSFVHZILTC-MJGOQNOKSA-N 1 1 310.466 3.512 20 30 DHEDMO C#Cc1ccc(C[NH2+]C[C@H]2CCN(C)[C@@H]2c2cccs2)cc1 ZINC000368578174 1028376461 /nfs/dbraw/zinc/37/64/61/1028376461.db2.gz KOVPGSFVHZILTC-MJGOQNOKSA-N 1 1 310.466 3.512 20 30 DHEDMO Cc1ccncc1C1=CC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000368847768 1028414461 /nfs/dbraw/zinc/41/44/61/1028414461.db2.gz QQQFEFMXKLQRIW-UHFFFAOYSA-N 1 1 307.372 3.690 20 30 DHEDMO Cc1ccncc1C1=CC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000368847768 1028414465 /nfs/dbraw/zinc/41/44/65/1028414465.db2.gz QQQFEFMXKLQRIW-UHFFFAOYSA-N 1 1 307.372 3.690 20 30 DHEDMO C#CCCC[N@@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815202434 1028424784 /nfs/dbraw/zinc/42/47/84/1028424784.db2.gz RIKYFGCMSKCMSN-SJORKVTESA-N 1 1 320.477 3.511 20 30 DHEDMO CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000564418952 1028437115 /nfs/dbraw/zinc/43/71/15/1028437115.db2.gz IICUJZDNTVOPLU-PXNSSMCTSA-N 1 1 311.473 3.503 20 30 DHEDMO CC(C)C[N@@H+]1CCC[C@@H](CN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000564418952 1028437122 /nfs/dbraw/zinc/43/71/22/1028437122.db2.gz IICUJZDNTVOPLU-PXNSSMCTSA-N 1 1 311.473 3.503 20 30 DHEDMO CC(C)C[N@H+]1CCC[C@@H](CN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000564418952 1028437132 /nfs/dbraw/zinc/43/71/32/1028437132.db2.gz IICUJZDNTVOPLU-PXNSSMCTSA-N 1 1 311.473 3.503 20 30 DHEDMO C[N@H+]1CC[C@H](CNc2ccc(C#N)cc2F)[C@H]1c1cccs1 ZINC000369562013 1028503301 /nfs/dbraw/zinc/50/33/01/1028503301.db2.gz VVGQHXGQJHPSEM-DYVFJYSZSA-N 1 1 315.417 3.864 20 30 DHEDMO C=C[C@H](CC(=O)N1CCC(n2c[nH+]cc2C)CC1)c1ccccc1 ZINC000369781773 1028529390 /nfs/dbraw/zinc/52/93/90/1028529390.db2.gz AOZLOCUTEHMGHP-QGZVFWFLSA-N 1 1 323.440 3.715 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C)cc1OC ZINC000449324070 1028534248 /nfs/dbraw/zinc/53/42/48/1028534248.db2.gz XSYKNFBUZPIHOA-UHFFFAOYSA-N 1 1 315.413 3.667 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C)cc1OC ZINC000449324070 1028534253 /nfs/dbraw/zinc/53/42/53/1028534253.db2.gz XSYKNFBUZPIHOA-UHFFFAOYSA-N 1 1 315.413 3.667 20 30 DHEDMO CC1CC[NH+](C[C@H]2CCCN(CCCC(C)(C)C#N)C2)CC1 ZINC000370003316 1028552295 /nfs/dbraw/zinc/55/22/95/1028552295.db2.gz ZUMFLMFZFHUIHJ-SFHVURJKSA-N 1 1 305.510 3.760 20 30 DHEDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)o1 ZINC000565330937 1028574376 /nfs/dbraw/zinc/57/43/76/1028574376.db2.gz DCDNITDZOYLNHH-KXBFYZLASA-N 1 1 324.424 3.923 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(OCC)cc1O ZINC000779170817 1028601813 /nfs/dbraw/zinc/60/18/13/1028601813.db2.gz VJTGJPWGFJNDEG-UHFFFAOYSA-N 1 1 301.386 3.615 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccsc2)C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000370564505 1028619237 /nfs/dbraw/zinc/61/92/37/1028619237.db2.gz BNDMBTCTAHEMDY-XWIAVFTESA-N 1 1 312.438 3.531 20 30 DHEDMO C=CCC(F)(F)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000815764943 1028623632 /nfs/dbraw/zinc/62/36/32/1028623632.db2.gz ZYIOTGGTDWTMTI-GFCCVEGCSA-N 1 1 319.355 3.569 20 30 DHEDMO CC[C@@H]1C[N@@H+](CCCCC#N)[C@@H](CC)CN1CCCCC#N ZINC000119074738 1028648962 /nfs/dbraw/zinc/64/89/62/1028648962.db2.gz YEGCUSTUSXSAMJ-HDICACEKSA-N 1 1 304.482 3.549 20 30 DHEDMO CC[C@@H]1CN(CCCCC#N)[C@@H](CC)C[N@@H+]1CCCCC#N ZINC000119074738 1028648968 /nfs/dbraw/zinc/64/89/68/1028648968.db2.gz YEGCUSTUSXSAMJ-HDICACEKSA-N 1 1 304.482 3.549 20 30 DHEDMO CC[C@@H]1CN(CCCCC#N)[C@@H](CC)C[N@H+]1CCCCC#N ZINC000119074738 1028648973 /nfs/dbraw/zinc/64/89/73/1028648973.db2.gz YEGCUSTUSXSAMJ-HDICACEKSA-N 1 1 304.482 3.549 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000565919507 1028654360 /nfs/dbraw/zinc/65/43/60/1028654360.db2.gz CPMPOKXLGRADKP-CQSZACIVSA-N 1 1 319.405 3.600 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(O[C@H](C)C#N)cc2)no1 ZINC000371391692 1028701302 /nfs/dbraw/zinc/70/13/02/1028701302.db2.gz DBOCXSJPHKWMBL-KDOFPFPSSA-N 1 1 311.385 3.611 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(O[C@H](C)C#N)cc2)no1 ZINC000371391692 1028701319 /nfs/dbraw/zinc/70/13/19/1028701319.db2.gz DBOCXSJPHKWMBL-KDOFPFPSSA-N 1 1 311.385 3.611 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000076734337 1028704285 /nfs/dbraw/zinc/70/42/85/1028704285.db2.gz YBAJJDOZSKHYAC-UHFFFAOYSA-N 1 1 315.461 3.513 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CCO2)c1 ZINC000371465073 1028717639 /nfs/dbraw/zinc/71/76/39/1028717639.db2.gz ZJUUDBGZXOJDBT-FQEVSTJZSA-N 1 1 317.392 3.613 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000449505773 1028728725 /nfs/dbraw/zinc/72/87/25/1028728725.db2.gz XRTWLRZSDUPQGC-SFHVURJKSA-N 1 1 321.380 3.846 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCSC[C@H]2C2CC2)c1 ZINC000449529292 1028741603 /nfs/dbraw/zinc/74/16/03/1028741603.db2.gz WDCMOGOOJXWEHY-SFHVURJKSA-N 1 1 316.470 3.697 20 30 DHEDMO CC(C)Cn1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000371686380 1028747543 /nfs/dbraw/zinc/74/75/43/1028747543.db2.gz UADOXAHEOKSTTB-UHFFFAOYSA-N 1 1 320.440 3.700 20 30 DHEDMO N#Cc1ccc(CN[C@H]2CC[N@H+](C3CCCCCC3)C2)s1 ZINC000371882215 1028773644 /nfs/dbraw/zinc/77/36/44/1028773644.db2.gz AVNDXQUJJAMVDU-AWEZNQCLSA-N 1 1 303.475 3.506 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H]2CCN(C3CCCCCC3)C2)s1 ZINC000371882215 1028773653 /nfs/dbraw/zinc/77/36/53/1028773653.db2.gz AVNDXQUJJAMVDU-AWEZNQCLSA-N 1 1 303.475 3.506 20 30 DHEDMO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000566805597 1028784380 /nfs/dbraw/zinc/78/43/80/1028784380.db2.gz RWUGQFCCUWSLOE-ZMSDIMECSA-N 1 1 323.440 3.687 20 30 DHEDMO C[NH+](C)[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)C1CCCCC1 ZINC000566944071 1028810033 /nfs/dbraw/zinc/81/00/33/1028810033.db2.gz VKVZZHMYVHMEFH-WOJBJXKFSA-N 1 1 311.473 3.646 20 30 DHEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3c3ccsc3)n2c1 ZINC000372392568 1028845620 /nfs/dbraw/zinc/84/56/20/1028845620.db2.gz LDZLOGLOMBPXCP-INIZCTEOSA-N 1 1 308.410 3.605 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3c3ccsc3)n2c1 ZINC000372392568 1028845629 /nfs/dbraw/zinc/84/56/29/1028845629.db2.gz LDZLOGLOMBPXCP-INIZCTEOSA-N 1 1 308.410 3.605 20 30 DHEDMO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1F ZINC000567278683 1028867681 /nfs/dbraw/zinc/86/76/81/1028867681.db2.gz GDWSSMFCEIEJQI-IUUKEHGRSA-N 1 1 316.351 3.609 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(OC)c(C)cc1O ZINC000778585262 1028877572 /nfs/dbraw/zinc/87/75/72/1028877572.db2.gz NVZZSMXOMKNSQV-UHFFFAOYSA-N 1 1 301.386 3.533 20 30 DHEDMO C=CCC1(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CCCC1 ZINC000449651467 1028880272 /nfs/dbraw/zinc/88/02/72/1028880272.db2.gz NWIMSVNYMKYOMJ-KRWDZBQOSA-N 1 1 306.494 3.751 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121758012 1028922932 /nfs/dbraw/zinc/92/29/32/1028922932.db2.gz RRDSTJZACLFKGI-OXQOHEQNSA-N 1 1 306.409 3.867 20 30 DHEDMO CC[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2s1)[NH+](CC)CC ZINC000778600042 1028933270 /nfs/dbraw/zinc/93/32/70/1028933270.db2.gz WDHGOPWRTNVBFV-TZMCWYRMSA-N 1 1 315.442 3.593 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@H]1C ZINC000816648503 1028972623 /nfs/dbraw/zinc/97/26/23/1028972623.db2.gz LJMSJZIGCQSEMI-CVEARBPZSA-N 1 1 306.409 3.977 20 30 DHEDMO C=CCCCCC[N@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000373240504 1028984521 /nfs/dbraw/zinc/98/45/21/1028984521.db2.gz DDKVZRCZCUWEOC-UHFFFAOYSA-N 1 1 315.505 3.767 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1Cl ZINC000568132834 1029010972 /nfs/dbraw/zinc/01/09/72/1029010972.db2.gz YVLDJGPZDKWFFI-QGZVFWFLSA-N 1 1 321.848 3.784 20 30 DHEDMO C=CCc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc(OC)c1O ZINC000628422979 1029049746 /nfs/dbraw/zinc/04/97/46/1029049746.db2.gz WETAMPKTVQWSES-CVEARBPZSA-N 1 1 319.470 3.599 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000568474432 1029075476 /nfs/dbraw/zinc/07/54/76/1029075476.db2.gz LZJGGHQMRLWMAQ-CYBMUJFWSA-N 1 1 301.356 3.895 20 30 DHEDMO C[C@H](CCC#N)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000411232479 1029075787 /nfs/dbraw/zinc/07/57/87/1029075787.db2.gz VURDTSVPGSSLEA-CQSZACIVSA-N 1 1 314.408 3.772 20 30 DHEDMO CN1CC[N@@H+](CCC2(C#N)CCCCC2)CC12CCCCC2 ZINC000568527584 1029086142 /nfs/dbraw/zinc/08/61/42/1029086142.db2.gz UCRLLSLDQPFGNJ-UHFFFAOYSA-N 1 1 303.494 3.801 20 30 DHEDMO C[N@@H+]1CCN(CCC2(C#N)CCCCC2)CC12CCCCC2 ZINC000568527584 1029086156 /nfs/dbraw/zinc/08/61/56/1029086156.db2.gz UCRLLSLDQPFGNJ-UHFFFAOYSA-N 1 1 303.494 3.801 20 30 DHEDMO C[N@H+]1CCN(CCC2(C#N)CCCCC2)CC12CCCCC2 ZINC000568527584 1029086168 /nfs/dbraw/zinc/08/61/68/1029086168.db2.gz UCRLLSLDQPFGNJ-UHFFFAOYSA-N 1 1 303.494 3.801 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000411325138 1029103667 /nfs/dbraw/zinc/10/36/67/1029103667.db2.gz NQCFRMNWXMDLBK-KGLIPLIRSA-N 1 1 303.475 3.894 20 30 DHEDMO C[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@@H]1n1ccnc1 ZINC000411394131 1029120130 /nfs/dbraw/zinc/12/01/30/1029120130.db2.gz WLVRBLDJQPJAJP-IRXDYDNUSA-N 1 1 300.450 3.630 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CCCC(C)(C)C#N)C1 ZINC000373914178 1029167673 /nfs/dbraw/zinc/16/76/73/1029167673.db2.gz UTWBFOPNMYDUCJ-TVFCKZIOSA-N 1 1 306.494 3.968 20 30 DHEDMO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)C2CCCCC2)c1C#N ZINC000569141679 1029183318 /nfs/dbraw/zinc/18/33/18/1029183318.db2.gz OQWKORFQPYTZFE-CQSZACIVSA-N 1 1 314.429 3.745 20 30 DHEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(CCC2(C#N)CCCCC2)C[C@@H](C)C1 ZINC000411762624 1029203104 /nfs/dbraw/zinc/20/31/04/1029203104.db2.gz XKBGNKAUNMYBKX-SQNIBIBYSA-N 1 1 303.494 3.513 20 30 DHEDMO C[C@H]1C[C@@H]1N1CC[N@H+](CCC2(C#N)CCCCC2)C[C@@H](C)C1 ZINC000411762624 1029203117 /nfs/dbraw/zinc/20/31/17/1029203117.db2.gz XKBGNKAUNMYBKX-SQNIBIBYSA-N 1 1 303.494 3.513 20 30 DHEDMO C[C@H]1C[C@@H]1N1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@@H](C)C1 ZINC000411762624 1029203131 /nfs/dbraw/zinc/20/31/31/1029203131.db2.gz XKBGNKAUNMYBKX-SQNIBIBYSA-N 1 1 303.494 3.513 20 30 DHEDMO COc1ccc2c(c1)C[N@@H+](CCC1(C#N)CCCCC1)CCO2 ZINC000411780886 1029206939 /nfs/dbraw/zinc/20/69/39/1029206939.db2.gz AVGLJDCHHFDVQH-UHFFFAOYSA-N 1 1 314.429 3.754 20 30 DHEDMO COc1ccc2c(c1)C[N@H+](CCC1(C#N)CCCCC1)CCO2 ZINC000411780886 1029206953 /nfs/dbraw/zinc/20/69/53/1029206953.db2.gz AVGLJDCHHFDVQH-UHFFFAOYSA-N 1 1 314.429 3.754 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)cc1 ZINC000190962284 1029227673 /nfs/dbraw/zinc/22/76/73/1029227673.db2.gz PYVZCSGOQGUSIX-UZLBHIALSA-N 1 1 306.409 3.677 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2CCCCC(C)(C)C#N)C1 ZINC000374170386 1029228075 /nfs/dbraw/zinc/22/80/75/1029228075.db2.gz GPUALJPLYCKAKK-XDNAFOTISA-N 1 1 306.494 3.968 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000374256899 1029261607 /nfs/dbraw/zinc/26/16/07/1029261607.db2.gz BLDFCPXGWFBNRA-UZLBHIALSA-N 1 1 322.408 3.631 20 30 DHEDMO CC(C)n1cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000374283531 1029271454 /nfs/dbraw/zinc/27/14/54/1029271454.db2.gz LFYGTVFZRMZQHE-UHFFFAOYSA-N 1 1 306.413 3.625 20 30 DHEDMO CC(C)n1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000374283531 1029271468 /nfs/dbraw/zinc/27/14/68/1029271468.db2.gz LFYGTVFZRMZQHE-UHFFFAOYSA-N 1 1 306.413 3.625 20 30 DHEDMO C#CC[N@@H+](CC(=O)Nc1c(C)cccc1C(C)C)C1CCCC1 ZINC000155727128 1029288592 /nfs/dbraw/zinc/28/85/92/1029288592.db2.gz IGBCECOMOYMRIP-UHFFFAOYSA-N 1 1 312.457 3.935 20 30 DHEDMO C#CC[N@H+](CC(=O)Nc1c(C)cccc1C(C)C)C1CCCC1 ZINC000155727128 1029288607 /nfs/dbraw/zinc/28/86/07/1029288607.db2.gz IGBCECOMOYMRIP-UHFFFAOYSA-N 1 1 312.457 3.935 20 30 DHEDMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC2(C#N)CCC2)c1 ZINC000450248598 1029301320 /nfs/dbraw/zinc/30/13/20/1029301320.db2.gz SVARWIQBBSLJEB-MRXNPFEDSA-N 1 1 300.402 3.535 20 30 DHEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC2(C#N)CCC2)c1 ZINC000450248598 1029301333 /nfs/dbraw/zinc/30/13/33/1029301333.db2.gz SVARWIQBBSLJEB-MRXNPFEDSA-N 1 1 300.402 3.535 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000817968457 1029306626 /nfs/dbraw/zinc/30/66/26/1029306626.db2.gz JNZADWXGWSTXHM-GOEBONIOSA-N 1 1 308.853 3.611 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000218682697 1029323965 /nfs/dbraw/zinc/32/39/65/1029323965.db2.gz HTVCGXSEYKZNAJ-GJZGRUSLSA-N 1 1 314.429 3.897 20 30 DHEDMO C[C@H](c1ccccc1)[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000450299092 1029331164 /nfs/dbraw/zinc/33/11/64/1029331164.db2.gz OPKDNEKJFRBTIA-IIBYNOLFSA-N 1 1 320.436 3.687 20 30 DHEDMO C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000450299094 1029332428 /nfs/dbraw/zinc/33/24/28/1029332428.db2.gz OPKDNEKJFRBTIA-KKSFZXQISA-N 1 1 320.436 3.687 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(OC)c(OC)c1C ZINC000570760052 1029416438 /nfs/dbraw/zinc/41/64/38/1029416438.db2.gz ABAMVTCVXFWURB-UHFFFAOYSA-N 1 1 315.413 3.836 20 30 DHEDMO Cc1nc(CO[C@@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)cs1 ZINC000374911232 1029495322 /nfs/dbraw/zinc/49/53/22/1029495322.db2.gz IWRCGSSPQHYMIB-MRXNPFEDSA-N 1 1 321.490 3.763 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCc4ccccc4O3)C2)o1 ZINC000529664546 1029498395 /nfs/dbraw/zinc/49/83/95/1029498395.db2.gz QQJMBGBCNVSUDG-IBGZPJMESA-N 1 1 308.381 3.511 20 30 DHEDMO N#CC1(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CCC1 ZINC000450498823 1029524826 /nfs/dbraw/zinc/52/48/26/1029524826.db2.gz JILUKLAMYAMZEH-CQSZACIVSA-N 1 1 315.486 3.895 20 30 DHEDMO N#CC1(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CCC1 ZINC000450498823 1029524834 /nfs/dbraw/zinc/52/48/34/1029524834.db2.gz JILUKLAMYAMZEH-CQSZACIVSA-N 1 1 315.486 3.895 20 30 DHEDMO N#CC1(C[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)CCC1 ZINC000450612806 1029581509 /nfs/dbraw/zinc/58/15/09/1029581509.db2.gz SCGXJXQFTPIMTI-CYBMUJFWSA-N 1 1 313.376 3.840 20 30 DHEDMO N#CC1(C[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)CCC1 ZINC000450612806 1029581517 /nfs/dbraw/zinc/58/15/17/1029581517.db2.gz SCGXJXQFTPIMTI-CYBMUJFWSA-N 1 1 313.376 3.840 20 30 DHEDMO C=C(C)C(C)(C)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819521852 1029586345 /nfs/dbraw/zinc/58/63/45/1029586345.db2.gz JOLXDIZFKJQMOC-HXUWFJFHSA-N 1 1 314.473 3.617 20 30 DHEDMO N#CC1(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000450843071 1029699664 /nfs/dbraw/zinc/69/96/64/1029699664.db2.gz HNILVIQYBSRNDT-LSDHHAIUSA-N 1 1 308.784 3.593 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303549430 1029781624 /nfs/dbraw/zinc/78/16/24/1029781624.db2.gz JJYMKECMEKARBD-PKOBYXMFSA-N 1 1 304.478 3.622 20 30 DHEDMO C=CC1(CC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CCCCC1 ZINC001136394572 1029789071 /nfs/dbraw/zinc/78/90/71/1029789071.db2.gz OCQOPBXLIMGUEN-IRXDYDNUSA-N 1 1 306.494 3.750 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CC(OCc2ccccc2)C1 ZINC000821342270 1029829886 /nfs/dbraw/zinc/82/98/86/1029829886.db2.gz MMOZEAVPNDKUGH-UHFFFAOYSA-N 1 1 306.409 3.738 20 30 DHEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000451407566 1029862099 /nfs/dbraw/zinc/86/20/99/1029862099.db2.gz MAPYXBAZNLJQBX-GWCFXTLKSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000451407566 1029862105 /nfs/dbraw/zinc/86/21/05/1029862105.db2.gz MAPYXBAZNLJQBX-GWCFXTLKSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000451410924 1029869653 /nfs/dbraw/zinc/86/96/53/1029869653.db2.gz UEKVQJGAMQVXOR-GWCFXTLKSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000451410924 1029869659 /nfs/dbraw/zinc/86/96/59/1029869659.db2.gz UEKVQJGAMQVXOR-GWCFXTLKSA-N 1 1 300.299 3.860 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000451565817 1029920521 /nfs/dbraw/zinc/92/05/21/1029920521.db2.gz IKOBSVCPMWDCLN-XPKDYRNWSA-N 1 1 319.246 3.931 20 30 DHEDMO CC[C@H](C)[N@@H+](C)CCNc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000357233734 1029958287 /nfs/dbraw/zinc/95/82/87/1029958287.db2.gz MBJQNYBNAMMCSQ-NSHDSACASA-N 1 1 318.371 3.527 20 30 DHEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2CC1(C)CCCCC1 ZINC001276288162 1029973848 /nfs/dbraw/zinc/97/38/48/1029973848.db2.gz GTPJWLNXUBKARH-FQEVSTJZSA-N 1 1 318.505 3.990 20 30 DHEDMO COC(=O)c1ccc(C(=[NH2+])Nc2cc(F)c3ccccc3c2)cc1 ZINC001170984074 1029981904 /nfs/dbraw/zinc/98/19/04/1029981904.db2.gz KETJALYQDNJGKC-UHFFFAOYSA-N 1 1 322.339 3.803 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@H](CC)c1ccc(Cl)cc1)C1CC1 ZINC000357550570 1030101149 /nfs/dbraw/zinc/10/11/49/1030101149.db2.gz GFDPIIVHXKIBEA-MRXNPFEDSA-N 1 1 306.837 3.558 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@H](CC)c1ccc(Cl)cc1)C1CC1 ZINC000357550570 1030101150 /nfs/dbraw/zinc/10/11/50/1030101150.db2.gz GFDPIIVHXKIBEA-MRXNPFEDSA-N 1 1 306.837 3.558 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@@H](CC)c1ccc(Cl)cc1)C1CC1 ZINC000357550569 1030101222 /nfs/dbraw/zinc/10/12/22/1030101222.db2.gz GFDPIIVHXKIBEA-INIZCTEOSA-N 1 1 306.837 3.558 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@@H](CC)c1ccc(Cl)cc1)C1CC1 ZINC000357550569 1030101225 /nfs/dbraw/zinc/10/12/25/1030101225.db2.gz GFDPIIVHXKIBEA-INIZCTEOSA-N 1 1 306.837 3.558 20 30 DHEDMO CC(C)(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000452069304 1030110894 /nfs/dbraw/zinc/11/08/94/1030110894.db2.gz DQHFUXZYFRQHOM-CYBMUJFWSA-N 1 1 319.474 3.706 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000533147985 1030165191 /nfs/dbraw/zinc/16/51/91/1030165191.db2.gz JGFUDGVCXSIQHG-HOTGVXAUSA-N 1 1 323.864 3.758 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CC(C)(C)C ZINC000533279050 1030237862 /nfs/dbraw/zinc/23/78/62/1030237862.db2.gz WDSKMYICAIGBGL-NSHDSACASA-N 1 1 307.825 3.517 20 30 DHEDMO C[C@H]1CCC[C@H](C)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000533292931 1030252007 /nfs/dbraw/zinc/25/20/07/1030252007.db2.gz IIPWWBITRDNQAD-STQMWFEESA-N 1 1 319.836 3.661 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000557747937 1030273892 /nfs/dbraw/zinc/27/38/92/1030273892.db2.gz KGXHSYSCWLRLRB-QGZVFWFLSA-N 1 1 323.525 3.885 20 30 DHEDMO C=CC[N@@H+](C)Cn1ncc2cccc(OCc3ccccc3)c21 ZINC000777544412 1030275624 /nfs/dbraw/zinc/27/56/24/1030275624.db2.gz IQPFBOIBQJESHR-UHFFFAOYSA-N 1 1 307.397 3.691 20 30 DHEDMO C=CC[N@H+](C)Cn1ncc2cccc(OCc3ccccc3)c21 ZINC000777544412 1030275638 /nfs/dbraw/zinc/27/56/38/1030275638.db2.gz IQPFBOIBQJESHR-UHFFFAOYSA-N 1 1 307.397 3.691 20 30 DHEDMO CC(C)[C@H](O)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866394904 1030275923 /nfs/dbraw/zinc/27/59/23/1030275923.db2.gz XEVONIZRDMSBHY-KYNGSXCRSA-N 1 1 324.424 3.673 20 30 DHEDMO C[C@H](C[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000533401764 1030318056 /nfs/dbraw/zinc/31/80/56/1030318056.db2.gz UEZNTKMFSZNEJD-MRXNPFEDSA-N 1 1 321.424 3.622 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccc(F)cc1F ZINC000823616835 1030341394 /nfs/dbraw/zinc/34/13/94/1030341394.db2.gz CDMHICNHLOEUJP-SGTLLEGYSA-N 1 1 316.351 3.563 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1cccc(Cl)c1 ZINC000823616607 1030343986 /nfs/dbraw/zinc/34/39/86/1030343986.db2.gz BBHCDXIIJPEFMK-SCLBCKFNSA-N 1 1 314.816 3.938 20 30 DHEDMO C#CCCC[N@@H+]1CC2(C[C@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823650092 1030355461 /nfs/dbraw/zinc/35/54/61/1030355461.db2.gz PMALZRBQGDGEKQ-MRXNPFEDSA-N 1 1 320.477 3.511 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000358290455 1030424548 /nfs/dbraw/zinc/42/45/48/1030424548.db2.gz RGFNFUFESZEFCR-ZDUSSCGKSA-N 1 1 322.334 3.673 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000070738674 1030559120 /nfs/dbraw/zinc/55/91/20/1030559120.db2.gz DOUDGYBGPTXGGI-IYBDPMFKSA-N 1 1 323.440 3.716 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc(Cl)cs1 ZINC000558425068 1030572898 /nfs/dbraw/zinc/57/28/98/1030572898.db2.gz OIIULIXKCXQVSU-UHFFFAOYSA-N 1 1 320.845 3.922 20 30 DHEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1sccc1C ZINC001275611056 1030587576 /nfs/dbraw/zinc/58/75/76/1030587576.db2.gz SLJZNHGGXRGUCP-SFHVURJKSA-N 1 1 318.486 3.590 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1 ZINC000824702564 1030605658 /nfs/dbraw/zinc/60/56/58/1030605658.db2.gz NRAOZHUNPVSIIB-YTYFBAJQSA-N 1 1 308.425 3.621 20 30 DHEDMO CCOc1ccc([C@@H]2CCC[N@H+]2CCCSCC#N)cc1 ZINC000074980713 1030628103 /nfs/dbraw/zinc/62/81/03/1030628103.db2.gz GAFNWVQSKQPHRU-KRWDZBQOSA-N 1 1 304.459 3.869 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000246902102 1030663033 /nfs/dbraw/zinc/66/30/33/1030663033.db2.gz UJORQVZNALTVQS-QFBILLFUSA-N 1 1 311.429 3.531 20 30 DHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1c(C)ccc(Cl)c1C ZINC001171072682 1030685800 /nfs/dbraw/zinc/68/58/00/1030685800.db2.gz RCOFSHVFKFWFNY-HNNXBMFYSA-N 1 1 324.852 3.596 20 30 DHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cccc(CCCC)c1 ZINC001171072797 1030694768 /nfs/dbraw/zinc/69/47/68/1030694768.db2.gz WIFJJQDQOGXVFJ-SFHVURJKSA-N 1 1 318.461 3.668 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000825215147 1030749882 /nfs/dbraw/zinc/74/98/82/1030749882.db2.gz IXMKIIKVQBAVMH-MAUKXSAKSA-N 1 1 316.470 3.697 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558742174 1030764463 /nfs/dbraw/zinc/76/44/63/1030764463.db2.gz XLAJWTVUUWTOAE-AWEZNQCLSA-N 1 1 309.369 3.702 20 30 DHEDMO N#C[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000248756626 1030766607 /nfs/dbraw/zinc/76/66/07/1030766607.db2.gz GGMIWYUZHYEQEB-RZQVSUQPSA-N 1 1 323.484 3.854 20 30 DHEDMO CC(C)(C)OC(=O)N1CC[N@@H+](CC(C)(C)CCC#N)CC1(C)C ZINC000825312229 1030783075 /nfs/dbraw/zinc/78/30/75/1030783075.db2.gz RKRIZOFTWAJGAJ-UHFFFAOYSA-N 1 1 323.481 3.648 20 30 DHEDMO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000926602493 1030822026 /nfs/dbraw/zinc/82/20/26/1030822026.db2.gz MCDWMMWWOWKXJG-IAGOWNOFSA-N 1 1 307.397 3.899 20 30 DHEDMO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000614924919 1030855664 /nfs/dbraw/zinc/85/56/64/1030855664.db2.gz PELHRDJFESGZEH-DOMZBBRYSA-N 1 1 312.335 3.663 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000614962491 1030874714 /nfs/dbraw/zinc/87/47/14/1030874714.db2.gz HQFPPUJARJIURA-UTKZUKDTSA-N 1 1 319.452 3.826 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000614962491 1030874734 /nfs/dbraw/zinc/87/47/34/1030874734.db2.gz HQFPPUJARJIURA-UTKZUKDTSA-N 1 1 319.452 3.826 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000614962491 1030874752 /nfs/dbraw/zinc/87/47/52/1030874752.db2.gz HQFPPUJARJIURA-UTKZUKDTSA-N 1 1 319.452 3.826 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000614962493 1030876519 /nfs/dbraw/zinc/87/65/19/1030876519.db2.gz HQFPPUJARJIURA-UWJYYQICSA-N 1 1 319.452 3.826 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000614962493 1030876542 /nfs/dbraw/zinc/87/65/42/1030876542.db2.gz HQFPPUJARJIURA-UWJYYQICSA-N 1 1 319.452 3.826 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000614962493 1030876566 /nfs/dbraw/zinc/87/65/66/1030876566.db2.gz HQFPPUJARJIURA-UWJYYQICSA-N 1 1 319.452 3.826 20 30 DHEDMO Cc1ncc([C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)n1 ZINC000614963475 1030878414 /nfs/dbraw/zinc/87/84/14/1030878414.db2.gz FIGHGHRWYUABRM-OAHLLOKOSA-N 1 1 318.424 3.815 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC(C)=O)cc1 ZINC000122812068 1030883944 /nfs/dbraw/zinc/88/39/44/1030883944.db2.gz KGUGDZTUKNZFQJ-UHFFFAOYSA-N 1 1 322.408 3.896 20 30 DHEDMO COc1ccccc1OCC[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000122864092 1030907924 /nfs/dbraw/zinc/90/79/24/1030907924.db2.gz KWJDJGJEUXUVBU-OAHLLOKOSA-N 1 1 310.397 3.639 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC001171098241 1030927428 /nfs/dbraw/zinc/92/74/28/1030927428.db2.gz JGJASBKSWJNLFS-QGZVFWFLSA-N 1 1 305.874 3.911 20 30 DHEDMO COc1ccc(CC[N@H+](C)Cc2c(Cl)cccc2C#N)cc1 ZINC001143726653 1030934703 /nfs/dbraw/zinc/93/47/03/1030934703.db2.gz WZPNAEGGFBZLOJ-UHFFFAOYSA-N 1 1 314.816 3.895 20 30 DHEDMO COc1ccc(CC[N@@H+](C)Cc2c(Cl)cccc2C#N)cc1 ZINC001143726653 1030934722 /nfs/dbraw/zinc/93/47/22/1030934722.db2.gz WZPNAEGGFBZLOJ-UHFFFAOYSA-N 1 1 314.816 3.895 20 30 DHEDMO C=CCCC[C@@H]([NH2+][C@@H](C)c1cc(CO)on1)c1ccccc1 ZINC000926856626 1030954795 /nfs/dbraw/zinc/95/47/95/1030954795.db2.gz XSUHQHZHCCKJAU-WMLDXEAASA-N 1 1 300.402 3.915 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000359465910 1030980602 /nfs/dbraw/zinc/98/06/02/1030980602.db2.gz LCTLNCNYDUQWKX-VBQJREDUSA-N 1 1 301.409 3.539 20 30 DHEDMO C#CCCN1CC[N@H+](CCCc2ccccc2)C[C@@H]1CC(C)C ZINC000795119286 1030996301 /nfs/dbraw/zinc/99/63/01/1030996301.db2.gz FUMDCMGJVKRKBT-NRFANRHFSA-N 1 1 312.501 3.675 20 30 DHEDMO C#CCC[N@H+]1CCN(CCCc2ccccc2)C[C@@H]1CC(C)C ZINC000795119286 1030996314 /nfs/dbraw/zinc/99/63/14/1030996314.db2.gz FUMDCMGJVKRKBT-NRFANRHFSA-N 1 1 312.501 3.675 20 30 DHEDMO C#CCC[N@@H+]1CCN(CCCc2ccccc2)C[C@@H]1CC(C)C ZINC000795119286 1030996329 /nfs/dbraw/zinc/99/63/29/1030996329.db2.gz FUMDCMGJVKRKBT-NRFANRHFSA-N 1 1 312.501 3.675 20 30 DHEDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)C1 ZINC000359556829 1031029101 /nfs/dbraw/zinc/02/91/01/1031029101.db2.gz MLBSYMGUBUOMIO-KUHUBIRLSA-N 1 1 322.412 3.620 20 30 DHEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)C1 ZINC000359556827 1031030727 /nfs/dbraw/zinc/03/07/27/1031030727.db2.gz MLBSYMGUBUOMIO-AUUYWEPGSA-N 1 1 322.412 3.620 20 30 DHEDMO C=C(C)COc1cc(C[N@H+](C)Cc2ccco2)ccc1OC ZINC000162185487 1031062486 /nfs/dbraw/zinc/06/24/86/1031062486.db2.gz QDSFIJSEXBAKDB-UHFFFAOYSA-N 1 1 301.386 3.875 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C)Cc2ccco2)ccc1OC ZINC000162185487 1031062503 /nfs/dbraw/zinc/06/25/03/1031062503.db2.gz QDSFIJSEXBAKDB-UHFFFAOYSA-N 1 1 301.386 3.875 20 30 DHEDMO C[N@H+](Cc1ccc(C2CCC2)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844370089 1031070006 /nfs/dbraw/zinc/07/00/06/1031070006.db2.gz FWLYZRFRUSAPQJ-NRFANRHFSA-N 1 1 320.436 3.991 20 30 DHEDMO C=CCCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000359787074 1031138975 /nfs/dbraw/zinc/13/89/75/1031138975.db2.gz CHMRIEBMLLYXJD-WMZOPIPTSA-N 1 1 312.457 3.512 20 30 DHEDMO COc1ccc(Cl)c2c1CCC[C@H]2[N@@H+](C)CCO[C@@H](C)C#N ZINC000844443046 1031147045 /nfs/dbraw/zinc/14/70/45/1031147045.db2.gz HVRLPLUCUVZHNL-SWLSCSKDSA-N 1 1 322.836 3.586 20 30 DHEDMO Cc1ccnc(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1C#N ZINC000359844989 1031160882 /nfs/dbraw/zinc/16/08/82/1031160882.db2.gz ODZLUNFKOKDWBY-LJQANCHMSA-N 1 1 320.440 3.584 20 30 DHEDMO C=CC[N@H+](C)Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC001144011520 1031175132 /nfs/dbraw/zinc/17/51/32/1031175132.db2.gz QEGFMBIIYGKMMT-UHFFFAOYSA-N 1 1 324.140 3.966 20 30 DHEDMO C[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1cncc(C#N)c1 ZINC001144085966 1031221144 /nfs/dbraw/zinc/22/11/44/1031221144.db2.gz JVCMQJDURZSGOZ-UHFFFAOYSA-N 1 1 319.330 3.647 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)Cc1cc(-c2ccc(C)cc2)no1 ZINC000429708847 1031334408 /nfs/dbraw/zinc/33/44/08/1031334408.db2.gz NZHOIMUVNUYCCP-UHFFFAOYSA-N 1 1 313.445 3.590 20 30 DHEDMO CC[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1c(C)nn(C)c1C ZINC000360249426 1031347221 /nfs/dbraw/zinc/34/72/21/1031347221.db2.gz MCDMANUJJIFLGX-INIZCTEOSA-N 1 1 316.836 3.803 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000536669383 1031367375 /nfs/dbraw/zinc/36/73/75/1031367375.db2.gz ADFITDAIMUGGCP-VQTJNVASSA-N 1 1 318.420 3.893 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000536669383 1031367384 /nfs/dbraw/zinc/36/73/84/1031367384.db2.gz ADFITDAIMUGGCP-VQTJNVASSA-N 1 1 318.420 3.893 20 30 DHEDMO C=CC[N@@H+](C[C@@H]1CC=CCC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536675427 1031384758 /nfs/dbraw/zinc/38/47/58/1031384758.db2.gz MNRJCTCFVXVSDZ-IAGOWNOFSA-N 1 1 323.444 3.568 20 30 DHEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccc(CC)c1)C2 ZINC001144323343 1031464834 /nfs/dbraw/zinc/46/48/34/1031464834.db2.gz YMZAROUDRZRZBT-PMACEKPBSA-N 1 1 315.457 3.575 20 30 DHEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000536889538 1031468356 /nfs/dbraw/zinc/46/83/56/1031468356.db2.gz KBBPLKDAJDLEPU-QGZVFWFLSA-N 1 1 301.434 3.629 20 30 DHEDMO Cc1cccc(NC(=O)C[N@@H+](C)CC2CCC(C#N)CC2)c1C ZINC000929242009 1031475145 /nfs/dbraw/zinc/47/51/45/1031475145.db2.gz HHOSWIWZSYOHTB-UHFFFAOYSA-N 1 1 313.445 3.504 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000929293944 1031487775 /nfs/dbraw/zinc/48/77/75/1031487775.db2.gz AGDCVXPGYNGITH-GOSISDBHSA-N 1 1 320.440 3.653 20 30 DHEDMO N#CC1CCC(C[NH+]2CCN(CC3CCCCC3)CC2)CC1 ZINC000929362012 1031503446 /nfs/dbraw/zinc/50/34/46/1031503446.db2.gz BMSZLGMFGMAQMK-UHFFFAOYSA-N 1 1 303.494 3.514 20 30 DHEDMO Cc1cc(C[C@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)n[nH]1 ZINC000360658484 1031508563 /nfs/dbraw/zinc/50/85/63/1031508563.db2.gz TUHNRCUGCXWZBD-DJJJIMSYSA-N 1 1 308.429 3.578 20 30 DHEDMO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360663458 1031512191 /nfs/dbraw/zinc/51/21/91/1031512191.db2.gz JQVNHHANLGFWGK-QWFCFKBJSA-N 1 1 311.473 3.788 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(CSC)cc2)no1 ZINC000872175991 1031549220 /nfs/dbraw/zinc/54/92/20/1031549220.db2.gz MUSAILHVSJJWNF-GFCCVEGCSA-N 1 1 309.822 3.742 20 30 DHEDMO C[N@@H+](Cc1c[nH]c2nc(Cl)ccc12)Cc1ccc(C#N)cc1 ZINC001144414585 1031551516 /nfs/dbraw/zinc/55/15/16/1031551516.db2.gz LSRPTOJZQXTFTI-UHFFFAOYSA-N 1 1 310.788 3.720 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C2(c3ccccc3)CCC2)no1 ZINC000872177218 1031553972 /nfs/dbraw/zinc/55/39/72/1031553972.db2.gz DXBMMEZUMRKXAY-CYBMUJFWSA-N 1 1 303.793 3.682 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H](CCN(C)C)c1ccccc1 ZINC001171179918 1031563527 /nfs/dbraw/zinc/56/35/27/1031563527.db2.gz YWVOJKLZUIXBNX-LAUBAEHRSA-N 1 1 321.468 3.772 20 30 DHEDMO C=C(Cl)CN1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000777808098 1031571916 /nfs/dbraw/zinc/57/19/16/1031571916.db2.gz MVZAJXDTPHIJRI-CQSZACIVSA-N 1 1 308.857 3.784 20 30 DHEDMO C=C(Cl)CN1CCC[C@@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000777808098 1031571934 /nfs/dbraw/zinc/57/19/34/1031571934.db2.gz MVZAJXDTPHIJRI-CQSZACIVSA-N 1 1 308.857 3.784 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872280376 1031572648 /nfs/dbraw/zinc/57/26/48/1031572648.db2.gz LLUMHRXCYVRHAW-LJQANCHMSA-N 1 1 301.405 3.601 20 30 DHEDMO CCc1ccc([C@H]2COCC[N@@H+]2CC2CCC(C#N)CC2)o1 ZINC000929676962 1031573741 /nfs/dbraw/zinc/57/37/41/1031573741.db2.gz WGOAPXIPNZIURO-VMBOVVBDSA-N 1 1 302.418 3.545 20 30 DHEDMO CCc1ccc([C@H]2COCC[N@H+]2CC2CCC(C#N)CC2)o1 ZINC000929676962 1031573753 /nfs/dbraw/zinc/57/37/53/1031573753.db2.gz WGOAPXIPNZIURO-VMBOVVBDSA-N 1 1 302.418 3.545 20 30 DHEDMO COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)C[C@H](O)CC#N)cc1 ZINC000929710393 1031586305 /nfs/dbraw/zinc/58/63/05/1031586305.db2.gz PXENSODLDHWGDL-MAUKXSAKSA-N 1 1 324.424 3.630 20 30 DHEDMO C[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@H](CCO)c1ccccc1 ZINC000929726334 1031591882 /nfs/dbraw/zinc/59/18/82/1031591882.db2.gz RXXZAJZOXDMDJG-GOSISDBHSA-N 1 1 314.816 3.767 20 30 DHEDMO N#Cc1cc(Cl)cc(C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000929746572 1031596923 /nfs/dbraw/zinc/59/69/23/1031596923.db2.gz GCEZWDVVRBVDDD-UHFFFAOYSA-N 1 1 302.727 3.986 20 30 DHEDMO CCc1onc(C)c1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000929756235 1031597148 /nfs/dbraw/zinc/59/71/48/1031597148.db2.gz DAGMICSTZGMOFK-WMZOPIPTSA-N 1 1 309.413 3.817 20 30 DHEDMO CCc1onc(C)c1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000929756235 1031597152 /nfs/dbraw/zinc/59/71/52/1031597152.db2.gz DAGMICSTZGMOFK-WMZOPIPTSA-N 1 1 309.413 3.817 20 30 DHEDMO CCc1onc(C)c1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000929756230 1031597456 /nfs/dbraw/zinc/59/74/56/1031597456.db2.gz DAGMICSTZGMOFK-AEFFLSMTSA-N 1 1 309.413 3.817 20 30 DHEDMO CCc1onc(C)c1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000929756230 1031597461 /nfs/dbraw/zinc/59/74/61/1031597461.db2.gz DAGMICSTZGMOFK-AEFFLSMTSA-N 1 1 309.413 3.817 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CCO[C@H](c3ccsc3)C2)CCC1 ZINC000929830079 1031618019 /nfs/dbraw/zinc/61/80/19/1031618019.db2.gz ZDGCHVOJPPKPDK-INIZCTEOSA-N 1 1 304.459 3.986 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCO[C@H](c3ccsc3)C2)CCC1 ZINC000929830079 1031618030 /nfs/dbraw/zinc/61/80/30/1031618030.db2.gz ZDGCHVOJPPKPDK-INIZCTEOSA-N 1 1 304.459 3.986 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)CC1 ZINC000929967077 1031662912 /nfs/dbraw/zinc/66/29/12/1031662912.db2.gz QTAMWYFNHOJIMI-UHFFFAOYSA-N 1 1 311.404 3.995 20 30 DHEDMO N#CCC[N@H+](Cc1c(O)cc(O)cc1O)C1CCCCCCC1 ZINC001144508937 1031665083 /nfs/dbraw/zinc/66/50/83/1031665083.db2.gz DWDFYDDLZIIGSC-UHFFFAOYSA-N 1 1 318.417 3.632 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3c3ccccc3)CCO2)cc1 ZINC000897596465 1031678397 /nfs/dbraw/zinc/67/83/97/1031678397.db2.gz QPMWMSVGCBWQPA-HBMCJLEFSA-N 1 1 318.420 3.735 20 30 DHEDMO C[C@H](Cc1ccsc1)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000897596008 1031679351 /nfs/dbraw/zinc/67/93/51/1031679351.db2.gz KZGVYSPTKHYOJT-RDTXWAMCSA-N 1 1 312.438 3.624 20 30 DHEDMO N#CC1CCC(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)CC1 ZINC000930089735 1031697261 /nfs/dbraw/zinc/69/72/61/1031697261.db2.gz GZVVIEAKQJSMIZ-OUNSHVDWSA-N 1 1 312.457 3.589 20 30 DHEDMO CC[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CCN1CC(F)F ZINC000930141899 1031712437 /nfs/dbraw/zinc/71/24/37/1031712437.db2.gz FNPHQEZDMZFQSO-OAHLLOKOSA-N 1 1 313.436 3.512 20 30 DHEDMO C#Cc1ccc(C[N@@H+](Cc2cccc(OC)c2)[C@@H](C)COC)cc1 ZINC001144576910 1031725224 /nfs/dbraw/zinc/72/52/24/1031725224.db2.gz VKAXZWITACTDEB-KRWDZBQOSA-N 1 1 323.436 3.714 20 30 DHEDMO Cc1nn(C(C)C)c(C)c1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000897624173 1031745228 /nfs/dbraw/zinc/74/52/28/1031745228.db2.gz AHXLIJJSXBHQJL-UHFFFAOYSA-N 1 1 302.447 3.646 20 30 DHEDMO Cc1nn(C(C)C)c(C)c1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000897624173 1031745243 /nfs/dbraw/zinc/74/52/43/1031745243.db2.gz AHXLIJJSXBHQJL-UHFFFAOYSA-N 1 1 302.447 3.646 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000930321473 1031780680 /nfs/dbraw/zinc/78/06/80/1031780680.db2.gz OHGMHAWMNZOTKO-UHFFFAOYSA-N 1 1 308.429 3.721 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000930321473 1031780694 /nfs/dbraw/zinc/78/06/94/1031780694.db2.gz OHGMHAWMNZOTKO-UHFFFAOYSA-N 1 1 308.429 3.721 20 30 DHEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)CC(C)(C)c1ccccc1 ZINC000846008361 1031803270 /nfs/dbraw/zinc/80/32/70/1031803270.db2.gz VYKFEEZLCWGNDT-IBGZPJMESA-N 1 1 308.425 3.501 20 30 DHEDMO Cc1cc(C[NH2+][C@@H]2CCOc3c(F)ccc(F)c32)ccc1C#N ZINC000361251025 1031815500 /nfs/dbraw/zinc/81/55/00/1031815500.db2.gz KXOXFCOBABSARA-MRXNPFEDSA-N 1 1 314.335 3.758 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3ccncc3)C2)c1 ZINC000930479000 1031836580 /nfs/dbraw/zinc/83/65/80/1031836580.db2.gz YIQPTGQQCKXGIB-QGZVFWFLSA-N 1 1 311.816 3.986 20 30 DHEDMO Cn1cc([C@@H]2C[N@@H+](CCCCC3(C#N)CCC3)CC2(C)C)cn1 ZINC000930587183 1031877549 /nfs/dbraw/zinc/87/75/49/1031877549.db2.gz HTIDJVRRNCKTIL-KRWDZBQOSA-N 1 1 314.477 3.710 20 30 DHEDMO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1Cl ZINC000561478573 1031923238 /nfs/dbraw/zinc/92/32/38/1031923238.db2.gz XEZWLWRBLKKMEH-CQSZACIVSA-N 1 1 314.816 3.595 20 30 DHEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1Cl ZINC000561478573 1031923247 /nfs/dbraw/zinc/92/32/47/1031923247.db2.gz XEZWLWRBLKKMEH-CQSZACIVSA-N 1 1 314.816 3.595 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000930716642 1031926691 /nfs/dbraw/zinc/92/66/91/1031926691.db2.gz ZKHXFXKFVCIDSV-QZTJIDSGSA-N 1 1 312.800 3.520 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000930716642 1031926718 /nfs/dbraw/zinc/92/67/18/1031926718.db2.gz ZKHXFXKFVCIDSV-QZTJIDSGSA-N 1 1 312.800 3.520 20 30 DHEDMO CC(C)(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000361552018 1031984215 /nfs/dbraw/zinc/98/42/15/1031984215.db2.gz YTJDDIGVYIGFEX-CQSZACIVSA-N 1 1 319.474 3.706 20 30 DHEDMO Cc1cc(C)cc(C2=CC[N@@H+](Cc3cc(C#N)n(C)c3)CC2)c1 ZINC000361580715 1031997722 /nfs/dbraw/zinc/99/77/22/1031997722.db2.gz CEFSMUSNYNMJRX-UHFFFAOYSA-N 1 1 305.425 3.803 20 30 DHEDMO C=CCCC[N@H+](CC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000898244902 1031998289 /nfs/dbraw/zinc/99/82/89/1031998289.db2.gz TWTGCYCYJJPSGH-UHFFFAOYSA-N 1 1 323.444 3.647 20 30 DHEDMO COC(=O)[C@@]1([NH2+]CCCCC2(C#N)CCC2)CC[C@@H](C)CC1 ZINC000930971543 1031998996 /nfs/dbraw/zinc/99/89/96/1031998996.db2.gz SQKQCRCVDPZYDV-RZDIXWSQSA-N 1 1 306.450 3.562 20 30 DHEDMO CC1=C(C)C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000361605105 1032012085 /nfs/dbraw/zinc/01/20/85/1032012085.db2.gz VDICXBDFPFHMPG-UHFFFAOYSA-N 1 1 321.424 3.780 20 30 DHEDMO CC1=C(C)C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000361605105 1032012096 /nfs/dbraw/zinc/01/20/96/1032012096.db2.gz VDICXBDFPFHMPG-UHFFFAOYSA-N 1 1 321.424 3.780 20 30 DHEDMO C[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@H](CC(F)(F)F)O1 ZINC000931073269 1032027382 /nfs/dbraw/zinc/02/73/82/1032027382.db2.gz NJZAQPRBFVDTCB-KGLIPLIRSA-N 1 1 318.383 3.892 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@H](CC(F)(F)F)O1 ZINC000931073269 1032027392 /nfs/dbraw/zinc/02/73/92/1032027392.db2.gz NJZAQPRBFVDTCB-KGLIPLIRSA-N 1 1 318.383 3.892 20 30 DHEDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccc(C#N)cn1 ZINC000846765939 1032056988 /nfs/dbraw/zinc/05/69/88/1032056988.db2.gz FYJAETYBWHNMEE-UHFFFAOYSA-N 1 1 320.440 3.576 20 30 DHEDMO C[C@@]1(C[N@H+]2CCc3c(CC#N)cccc3C2)CC1(Cl)Cl ZINC000860109810 1033301041 /nfs/dbraw/zinc/30/10/41/1033301041.db2.gz ZZZPNHJSOMMHGW-HNNXBMFYSA-N 1 1 309.240 3.695 20 30 DHEDMO C[C@@H]1CCC[C@@H]([N@@H+](CCC#N)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000338264784 1033310270 /nfs/dbraw/zinc/31/02/70/1033310270.db2.gz HBVUNNJCQUTQTR-HLLBOEOZSA-N 1 1 314.429 3.956 20 30 DHEDMO C[C@@H](C#N)C[N@H+](CCC(=O)Nc1cccc2ccccc21)C1CC1 ZINC000338349213 1033329487 /nfs/dbraw/zinc/32/94/87/1033329487.db2.gz FKPIEZCFLKGQRH-HNNXBMFYSA-N 1 1 321.424 3.792 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](CCC(=O)Nc1cccc2ccccc21)C1CC1 ZINC000338349213 1033329490 /nfs/dbraw/zinc/32/94/90/1033329490.db2.gz FKPIEZCFLKGQRH-HNNXBMFYSA-N 1 1 321.424 3.792 20 30 DHEDMO N#Cc1ccc(C2([NH2+]Cc3cc(C#N)cnc3Cl)CCC2)cc1 ZINC000877618925 1033385303 /nfs/dbraw/zinc/38/53/03/1033385303.db2.gz JFTMIRBNNMNWGO-UHFFFAOYSA-N 1 1 322.799 3.647 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)cc1 ZINC000877737579 1033429535 /nfs/dbraw/zinc/42/95/35/1033429535.db2.gz JKLHCCFZYPEERR-HZPDHXFCSA-N 1 1 300.471 3.673 20 30 DHEDMO C=CC[N@@H+](C1CCN(C(=O)c2ccc(F)cc2)CC1)C(C)(C)C ZINC001173005103 1033498942 /nfs/dbraw/zinc/49/89/42/1033498942.db2.gz KHIWTPVSCLXPPR-UHFFFAOYSA-N 1 1 318.436 3.717 20 30 DHEDMO C=CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000877932282 1033520646 /nfs/dbraw/zinc/52/06/46/1033520646.db2.gz ORJKPNGNSNBFNA-GFCCVEGCSA-N 1 1 314.351 3.930 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](Cc1ccco1)C(C)C)c1ccccc1 ZINC000878001966 1033548996 /nfs/dbraw/zinc/54/89/96/1033548996.db2.gz JHTPRZJUGJJMPW-HXUWFJFHSA-N 1 1 324.424 3.931 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+](Cc1ccco1)C(C)C)c1ccccc1 ZINC000878001966 1033549003 /nfs/dbraw/zinc/54/90/03/1033549003.db2.gz JHTPRZJUGJJMPW-HXUWFJFHSA-N 1 1 324.424 3.931 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)C1 ZINC000339022134 1033557758 /nfs/dbraw/zinc/55/77/58/1033557758.db2.gz KPDACTXJLUYEPI-KFWWJZLASA-N 1 1 315.486 3.894 20 30 DHEDMO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC(C)C ZINC000153688302 1033589066 /nfs/dbraw/zinc/58/90/66/1033589066.db2.gz MMQRXMZFXVCJOD-UHFFFAOYSA-N 1 1 310.445 3.942 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000878151359 1033597052 /nfs/dbraw/zinc/59/70/52/1033597052.db2.gz AKXUGZDUSYTROW-GUDVDZBRSA-N 1 1 310.441 3.717 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000878151359 1033597056 /nfs/dbraw/zinc/59/70/56/1033597056.db2.gz AKXUGZDUSYTROW-GUDVDZBRSA-N 1 1 310.441 3.717 20 30 DHEDMO CC[C@@H](C)C[N@@H+](CC)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878165578 1033602785 /nfs/dbraw/zinc/60/27/85/1033602785.db2.gz YMVSBFXRAZPJQT-VQIMIIECSA-N 1 1 300.446 3.795 20 30 DHEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCCCO1 ZINC000478971423 1033620572 /nfs/dbraw/zinc/62/05/72/1033620572.db2.gz LKNHGEDLXQUFKQ-INIZCTEOSA-N 1 1 311.347 3.558 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC001173321067 1033685265 /nfs/dbraw/zinc/68/52/65/1033685265.db2.gz WAWWMAOWQDSENH-TVPLGVNVSA-N 1 1 319.420 3.793 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@@H](CC(=O)OC(C)(C)C)C2)CC1 ZINC001173322626 1033685842 /nfs/dbraw/zinc/68/58/42/1033685842.db2.gz GZCPHDKPLYFWKS-GTPINHCMSA-N 1 1 323.477 3.554 20 30 DHEDMO C=CCOC1CCC([N@H+](C)Cc2cccc(OC)c2OC)CC1 ZINC001173326941 1033687782 /nfs/dbraw/zinc/68/77/82/1033687782.db2.gz WMPKPQHTEVEFTJ-UHFFFAOYSA-N 1 1 319.445 3.649 20 30 DHEDMO CCOC(=O)[C@]1(C)CCCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173330941 1033687954 /nfs/dbraw/zinc/68/79/54/1033687954.db2.gz HYHJEWWXDXGIHG-LEOMRAHMSA-N 1 1 306.450 3.514 20 30 DHEDMO C=CCOC1CCC([N@@H+]2CCc3nc(Cl)ccc3C2)CC1 ZINC001173327848 1033688599 /nfs/dbraw/zinc/68/85/99/1033688599.db2.gz UERLQDXNDJADCS-UHFFFAOYSA-N 1 1 306.837 3.607 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC000878404783 1033690908 /nfs/dbraw/zinc/69/09/08/1033690908.db2.gz JGPFBFRDMQOXCH-QUCCMNQESA-N 1 1 312.457 3.795 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)C[C@H]1CC=CCC1)c1ccccc1 ZINC000878404748 1033691335 /nfs/dbraw/zinc/69/13/35/1033691335.db2.gz TXJRATIZEYTSNL-ICSRJNTNSA-N 1 1 310.441 3.715 20 30 DHEDMO N#CCC1CCC([N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)CC1 ZINC001173337241 1033694449 /nfs/dbraw/zinc/69/44/49/1033694449.db2.gz CPORQQNQLFCZOW-NKELODKYSA-N 1 1 323.440 3.874 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](C)C(C)(C)C1)c1ccccc1 ZINC000878432825 1033704668 /nfs/dbraw/zinc/70/46/68/1033704668.db2.gz KEMMWHCDJZOELW-OXJNMPFZSA-N 1 1 312.457 3.795 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@H](c3ccccc3OC)C2)CC1 ZINC001173319675 1033712794 /nfs/dbraw/zinc/71/27/94/1033712794.db2.gz RFNJBNNRUIDLDE-AOCRQIFASA-N 1 1 315.457 3.998 20 30 DHEDMO C#CCCCCC[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000878528860 1033738744 /nfs/dbraw/zinc/73/87/44/1033738744.db2.gz CGTGVPPQMVVQCJ-MRXNPFEDSA-N 1 1 314.429 3.830 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1CCC2(CCOCC2)O1 ZINC000878533218 1033739438 /nfs/dbraw/zinc/73/94/38/1033739438.db2.gz LMUNWTIKXBREHM-LJQANCHMSA-N 1 1 315.457 3.793 20 30 DHEDMO C#CCCCCC[N@@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000878597983 1033765264 /nfs/dbraw/zinc/76/52/64/1033765264.db2.gz ZMSQHLGEYLFLMV-UHFFFAOYSA-N 1 1 320.477 3.655 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@H](C2CC2)C1)c1ccccc1 ZINC000878621537 1033769873 /nfs/dbraw/zinc/76/98/73/1033769873.db2.gz CUGDCAAJHKNUSM-AZUAARDMSA-N 1 1 310.441 3.549 20 30 DHEDMO CCCCCCCCOC(=O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC001173588171 1033777150 /nfs/dbraw/zinc/77/71/50/1033777150.db2.gz BUMKPJFOFRWAGB-UHFFFAOYSA-N 1 1 308.466 3.952 20 30 DHEDMO CC1(C#N)CCC([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)CC1 ZINC001173594512 1033781093 /nfs/dbraw/zinc/78/10/93/1033781093.db2.gz GPXWHCICWZHNPE-XGGXVBFMSA-N 1 1 316.489 3.986 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)CC1 ZINC001173599127 1033785094 /nfs/dbraw/zinc/78/50/94/1033785094.db2.gz ZZUKOFHNKGLZOZ-ACBHZAAOSA-N 1 1 316.420 3.846 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001173601415 1033788269 /nfs/dbraw/zinc/78/82/69/1033788269.db2.gz SRYVGSAILKWOPZ-JJBAYQRUSA-N 1 1 323.484 3.665 20 30 DHEDMO C#CC[N@H+](Cc1cc(C)c(Br)cn1)C1CCCC1 ZINC000862251119 1033793621 /nfs/dbraw/zinc/79/36/21/1033793621.db2.gz VNPOFVIVAKVEDV-UHFFFAOYSA-N 1 1 307.235 3.530 20 30 DHEDMO C#CCCCCC[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000878676920 1033795486 /nfs/dbraw/zinc/79/54/86/1033795486.db2.gz DQMYSYFYXONQDZ-UHFFFAOYSA-N 1 1 300.450 3.532 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)CCO2)c1 ZINC000862253090 1033797056 /nfs/dbraw/zinc/79/70/56/1033797056.db2.gz KYZSOUWSCPPTFS-FQEVSTJZSA-N 1 1 317.392 3.613 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)CCO2)c1 ZINC000862253090 1033797068 /nfs/dbraw/zinc/79/70/68/1033797068.db2.gz KYZSOUWSCPPTFS-FQEVSTJZSA-N 1 1 317.392 3.613 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H](C2CCCC2)C1)c1ccccc1 ZINC000878719716 1033810892 /nfs/dbraw/zinc/81/08/92/1033810892.db2.gz AXQVJDDFLUEKLV-PZJWPPBQSA-N 1 1 324.468 3.939 20 30 DHEDMO C=CCC1(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000479632071 1033838092 /nfs/dbraw/zinc/83/80/92/1033838092.db2.gz FHNVTGHEEKJSTC-IYBDPMFKSA-N 1 1 306.494 3.606 20 30 DHEDMO C=CC(C)(C)CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000878844183 1033841138 /nfs/dbraw/zinc/84/11/38/1033841138.db2.gz SMHWUYLJYBXWIN-IAGOWNOFSA-N 1 1 306.494 3.702 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)c(OC)c(OCC)c2)C1 ZINC000862443848 1033855237 /nfs/dbraw/zinc/85/52/37/1033855237.db2.gz VRGYULKPBAXOGB-ZDUSSCGKSA-N 1 1 307.821 3.593 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(OCC)c2OC(F)F)C1 ZINC000862442947 1033856788 /nfs/dbraw/zinc/85/67/88/1033856788.db2.gz JBXFLTIIXCJSPY-CYBMUJFWSA-N 1 1 309.356 3.532 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878915252 1033866326 /nfs/dbraw/zinc/86/63/26/1033866326.db2.gz RMNYKOWWUFHYQR-ICSRJNTNSA-N 1 1 310.441 3.715 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000553987256 1033917203 /nfs/dbraw/zinc/91/72/03/1033917203.db2.gz MYPQGICRYLWFPY-GDBMZVCRSA-N 1 1 318.486 3.720 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000553987256 1033917210 /nfs/dbraw/zinc/91/72/10/1033917210.db2.gz MYPQGICRYLWFPY-GDBMZVCRSA-N 1 1 318.486 3.720 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNCc2ccc(C#N)o2)cc1 ZINC000174270707 1033917127 /nfs/dbraw/zinc/91/71/27/1033917127.db2.gz ZKCCHFBMANXFMQ-INIZCTEOSA-N 1 1 323.440 3.815 20 30 DHEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000879086890 1033918115 /nfs/dbraw/zinc/91/81/15/1033918115.db2.gz CLPAJGTVGCOLOK-WMZOPIPTSA-N 1 1 314.473 3.616 20 30 DHEDMO CN(C)C(=O)Sc1ccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000879311200 1033978845 /nfs/dbraw/zinc/97/88/45/1033978845.db2.gz ODNWGWPYWJZLJF-HOCLYGCPSA-N 1 1 317.458 3.584 20 30 DHEDMO CN(C)C(=O)Sc1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000879311200 1033978855 /nfs/dbraw/zinc/97/88/55/1033978855.db2.gz ODNWGWPYWJZLJF-HOCLYGCPSA-N 1 1 317.458 3.584 20 30 DHEDMO CC(C)c1c(Cl)ncnc1N=NC1CC[N@@H+](C)C(C)(C)C1 ZINC000863109632 1033999246 /nfs/dbraw/zinc/99/92/46/1033999246.db2.gz VUOSHKMPUZYPQZ-UHFFFAOYSA-N 1 1 309.845 3.526 20 30 DHEDMO C[N@@H+](CCCCC(=O)OC(C)(C)C)CCc1cccc(C#N)c1 ZINC000879432527 1034014810 /nfs/dbraw/zinc/01/48/10/1034014810.db2.gz BWFDXEBLHQXBGL-UHFFFAOYSA-N 1 1 316.445 3.545 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1CC(C)(C)OC1(C)C ZINC000879432039 1034015965 /nfs/dbraw/zinc/01/59/65/1034015965.db2.gz AFSKESPFTBBGQU-QGZVFWFLSA-N 1 1 300.446 3.626 20 30 DHEDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434108 1034016638 /nfs/dbraw/zinc/01/66/38/1034016638.db2.gz ODAOMADUTMONFU-AWEZNQCLSA-N 1 1 309.369 3.702 20 30 DHEDMO C=CCC1(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)CCC1 ZINC000480092806 1034060858 /nfs/dbraw/zinc/06/08/58/1034060858.db2.gz XTRQEORCDFZFCH-MRXNPFEDSA-N 1 1 306.494 3.750 20 30 DHEDMO COc1ccc([C@H]2C[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)cc1 ZINC000879632836 1034063177 /nfs/dbraw/zinc/06/31/77/1034063177.db2.gz AQDWVHWIOIRTFT-MGPUTAFESA-N 1 1 322.408 3.701 20 30 DHEDMO COc1ccc([C@H]2C[N@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)cc1 ZINC000879632836 1034063190 /nfs/dbraw/zinc/06/31/90/1034063190.db2.gz AQDWVHWIOIRTFT-MGPUTAFESA-N 1 1 322.408 3.701 20 30 DHEDMO CC(C)(O)C#Cc1cccc(Nc2cc[nH+]c3ccccc23)c1 ZINC001174038986 1034095185 /nfs/dbraw/zinc/09/51/85/1034095185.db2.gz HUAPEKLKSPQXBN-UHFFFAOYSA-N 1 1 302.377 3.523 20 30 DHEDMO Cc1cncc([C@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)c1 ZINC000879752228 1034113912 /nfs/dbraw/zinc/11/39/12/1034113912.db2.gz QJQNLOBKELNJLI-GOSISDBHSA-N 1 1 313.445 3.628 20 30 DHEDMO CC[NH+](CC)Cc1cccc(CNCc2ccc(C#N)s2)c1 ZINC000176949862 1034122282 /nfs/dbraw/zinc/12/22/82/1034122282.db2.gz QHGBPHUNFHJOGR-UHFFFAOYSA-N 1 1 313.470 3.751 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)c1 ZINC000177396146 1034156453 /nfs/dbraw/zinc/15/64/53/1034156453.db2.gz YOPPMKVNAZSTIH-INIZCTEOSA-N 1 1 310.422 3.857 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CC[C@@]3(CCc4ccccc43)C2)cc1 ZINC000879998458 1034174550 /nfs/dbraw/zinc/17/45/50/1034174550.db2.gz SDSHWCDXHKYLGB-NRFANRHFSA-N 1 1 318.420 3.679 20 30 DHEDMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)n1 ZINC000880012578 1034183232 /nfs/dbraw/zinc/18/32/32/1034183232.db2.gz UYDLYXGMPMZNGO-CQSZACIVSA-N 1 1 317.845 3.966 20 30 DHEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@H](C(F)(F)F)O1 ZINC000880064316 1034197489 /nfs/dbraw/zinc/19/74/89/1034197489.db2.gz MDVXUAAJLUHPLJ-UONOGXRCSA-N 1 1 318.383 3.892 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880059862 1034197571 /nfs/dbraw/zinc/19/75/71/1034197571.db2.gz KICWEQMBGPOGOP-TYNCELHUSA-N 1 1 312.335 3.661 20 30 DHEDMO C=C(Br)C[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880097656 1034209980 /nfs/dbraw/zinc/20/99/80/1034209980.db2.gz CIOLWKRRSRZOSO-MRVPVSSYSA-N 1 1 309.129 3.660 20 30 DHEDMO N#CCCCC[N@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880274640 1034273307 /nfs/dbraw/zinc/27/33/07/1034273307.db2.gz DWZXYHYEVFDOKK-KRWDZBQOSA-N 1 1 308.429 3.950 20 30 DHEDMO C#CCCOc1ccc(C[NH2+][C@@H](CC)c2nccs2)cc1 ZINC000119864445 1034295614 /nfs/dbraw/zinc/29/56/14/1034295614.db2.gz RJUJNUZGBVZZGQ-INIZCTEOSA-N 1 1 300.427 3.786 20 30 DHEDMO C=CC1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000480528983 1034302951 /nfs/dbraw/zinc/30/29/51/1034302951.db2.gz PLMAUUQDVMLMIO-UHFFFAOYSA-N 1 1 320.234 3.723 20 30 DHEDMO C=CC1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000480528983 1034302966 /nfs/dbraw/zinc/30/29/66/1034302966.db2.gz PLMAUUQDVMLMIO-UHFFFAOYSA-N 1 1 320.234 3.723 20 30 DHEDMO COc1cc(C#N)cc(NC2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001174395502 1034322873 /nfs/dbraw/zinc/32/28/73/1034322873.db2.gz YZMAAVVXWWUKST-UHFFFAOYSA-N 1 1 319.408 3.769 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc(C)cs1)CC2 ZINC001137155728 1034346056 /nfs/dbraw/zinc/34/60/56/1034346056.db2.gz GPKVBNULFTYKKE-SFHVURJKSA-N 1 1 318.486 3.590 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2Cc3ccccc3N3CCC[C@H]3C2)cc1 ZINC000880554341 1034361122 /nfs/dbraw/zinc/36/11/22/1034361122.db2.gz ZLQSQBHECQACED-IBGZPJMESA-N 1 1 303.409 3.543 20 30 DHEDMO C=C(C)[C@H](N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000480660099 1034371697 /nfs/dbraw/zinc/37/16/97/1034371697.db2.gz OHJBISFFLNUFLX-RZAIGCCYSA-N 1 1 306.400 3.654 20 30 DHEDMO C=C(C)[C@H](N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000480660099 1034371713 /nfs/dbraw/zinc/37/17/13/1034371713.db2.gz OHJBISFFLNUFLX-RZAIGCCYSA-N 1 1 306.400 3.654 20 30 DHEDMO Cc1cc(C)c(Nc2ccc(C[NH+]3CCOCC3)cc2)cc1C#N ZINC001174447524 1034372784 /nfs/dbraw/zinc/37/27/84/1034372784.db2.gz SBNMGUCKZUEDBS-UHFFFAOYSA-N 1 1 321.424 3.751 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+](CCC(=O)c1ccc(F)cc1)C2 ZINC000626131350 1034377757 /nfs/dbraw/zinc/37/77/57/1034377757.db2.gz XIBZMKNUJFDQQO-UHFFFAOYSA-N 1 1 322.383 3.523 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1Cc2c(Br)cccc2C[C@H]1C ZINC001252604328 1034427010 /nfs/dbraw/zinc/42/70/10/1034427010.db2.gz PXSQJRTZXLRTLL-TZMCWYRMSA-N 1 1 324.262 3.523 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)cc1 ZINC000554946810 1034427938 /nfs/dbraw/zinc/42/79/38/1034427938.db2.gz NCZJWXGXEGMBOM-FQEVSTJZSA-N 1 1 304.393 3.528 20 30 DHEDMO COc1cccc([C@]2(C)CC[N@@H+](Cc3cccc(C#N)c3)C2)c1 ZINC001174583121 1034489027 /nfs/dbraw/zinc/48/90/27/1034489027.db2.gz OSMKMJYNTARODR-HXUWFJFHSA-N 1 1 306.409 3.730 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C(C)(C)C1 ZINC000481068313 1034576962 /nfs/dbraw/zinc/57/69/62/1034576962.db2.gz CQOOJPAJOXHZON-LLVKDONJSA-N 1 1 307.235 3.941 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000481214344 1034664594 /nfs/dbraw/zinc/66/45/94/1034664594.db2.gz UYXNSGVKBXWQMA-HZPDHXFCSA-N 1 1 310.441 3.913 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000481289396 1034712037 /nfs/dbraw/zinc/71/20/37/1034712037.db2.gz UNVNNMRLCTXQLZ-NSHDSACASA-N 1 1 300.324 3.540 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000481289396 1034712050 /nfs/dbraw/zinc/71/20/50/1034712050.db2.gz UNVNNMRLCTXQLZ-NSHDSACASA-N 1 1 300.324 3.540 20 30 DHEDMO CN(C)c1c(F)c(F)ccc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000600108585 1034735497 /nfs/dbraw/zinc/73/54/97/1034735497.db2.gz CTKPKTYMBOMOKG-UHFFFAOYSA-N 1 1 315.367 3.534 20 30 DHEDMO CN(C)c1c(F)c(F)ccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000600108585 1034735510 /nfs/dbraw/zinc/73/55/10/1034735510.db2.gz CTKPKTYMBOMOKG-UHFFFAOYSA-N 1 1 315.367 3.534 20 30 DHEDMO CC(=NOCCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000777455240 1034750190 /nfs/dbraw/zinc/75/01/90/1034750190.db2.gz BCZQZSCPPLKBHR-HNNXBMFYSA-N 1 1 314.351 3.853 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NOC1CCCCC1 ZINC000777459401 1034752082 /nfs/dbraw/zinc/75/20/82/1034752082.db2.gz PRECIEPWQKAPHP-OAHLLOKOSA-N 1 1 301.434 3.629 20 30 DHEDMO C[C@H]1CC(=NOCCC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000777459712 1034752391 /nfs/dbraw/zinc/75/23/91/1034752391.db2.gz KVXRYSUUBXJUPC-LBPRGKRZSA-N 1 1 300.324 3.606 20 30 DHEDMO C[C@@H]1CC(=NOCCC(F)(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000777458728 1034752782 /nfs/dbraw/zinc/75/27/82/1034752782.db2.gz BIFXVOTWANBBNI-CYBMUJFWSA-N 1 1 314.351 3.853 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1=NOCCC(F)(F)F ZINC000777460547 1034753920 /nfs/dbraw/zinc/75/39/20/1034753920.db2.gz QDPFIHRDEYYBEB-ZDUSSCGKSA-N 1 1 314.351 3.853 20 30 DHEDMO N#CCCCOc1cccc(C[N@@H+]2CCCC(F)(F)CC2)c1 ZINC000600187827 1034790453 /nfs/dbraw/zinc/79/04/53/1034790453.db2.gz JTKSUWOLJWWKAB-UHFFFAOYSA-N 1 1 308.372 3.990 20 30 DHEDMO COc1cc(C)ccc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600213760 1034805323 /nfs/dbraw/zinc/80/53/23/1034805323.db2.gz YZJKWWNXCZZJMI-UHFFFAOYSA-N 1 1 306.409 3.628 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc1C#N ZINC000481753097 1034965628 /nfs/dbraw/zinc/96/56/28/1034965628.db2.gz FDCUJMAIMUKALF-SMDDNHRTSA-N 1 1 312.335 3.730 20 30 DHEDMO COc1ccc(C#N)cc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175506493 1035016789 /nfs/dbraw/zinc/01/67/89/1035016789.db2.gz CCSXDXJTBPYOGT-UHFFFAOYSA-N 1 1 319.408 3.769 20 30 DHEDMO N#Cc1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc1C#N ZINC001175506744 1035019094 /nfs/dbraw/zinc/01/90/94/1035019094.db2.gz KYMZBSSLIBWIAM-UHFFFAOYSA-N 1 1 314.392 3.632 20 30 DHEDMO COc1cccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c1C#N ZINC001175507460 1035020123 /nfs/dbraw/zinc/02/01/23/1035020123.db2.gz VSSJFVUYLJOFQV-UHFFFAOYSA-N 1 1 319.408 3.769 20 30 DHEDMO CC[N@H+](CC#Cc1cccc(Cl)c1)CCc1nccs1 ZINC000159399353 1035049280 /nfs/dbraw/zinc/04/92/80/1035049280.db2.gz BVLTYZZXRAYUMF-UHFFFAOYSA-N 1 1 304.846 3.713 20 30 DHEDMO C#Cc1cccc(Nc2sc(N)c3c2C[N@@H+](CCC)CC3)c1 ZINC001175974445 1035171094 /nfs/dbraw/zinc/17/10/94/1035171094.db2.gz WNCVBZMDZWBISC-UHFFFAOYSA-N 1 1 311.454 3.823 20 30 DHEDMO CCc1ccc(C2=CC[N@@H+](Cc3cc(C#N)n(C)c3)CC2)cc1 ZINC000483305551 1035254093 /nfs/dbraw/zinc/25/40/93/1035254093.db2.gz IAMZVCKHCIOXJJ-UHFFFAOYSA-N 1 1 305.425 3.748 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@H](c3ccc(F)cc3)CC2)cc1C#N ZINC000483303207 1035255024 /nfs/dbraw/zinc/25/50/24/1035255024.db2.gz DXYUZDPSNWSRKE-INIZCTEOSA-N 1 1 311.404 3.806 20 30 DHEDMO COc1ccc([C@H]2CCC[N@@H+]2CC#Cc2ccccc2)c(OC)c1 ZINC000483514265 1035275384 /nfs/dbraw/zinc/27/53/84/1035275384.db2.gz REAQDGJQRGODAW-HXUWFJFHSA-N 1 1 321.420 3.892 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2CC#Cc2ccccc2)c(OC)c1 ZINC000483514265 1035275388 /nfs/dbraw/zinc/27/53/88/1035275388.db2.gz REAQDGJQRGODAW-HXUWFJFHSA-N 1 1 321.420 3.892 20 30 DHEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483598150 1035281719 /nfs/dbraw/zinc/28/17/19/1035281719.db2.gz FZKOXXJHPZEMJI-SFHVURJKSA-N 1 1 324.399 3.913 20 30 DHEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000483620259 1035283664 /nfs/dbraw/zinc/28/36/64/1035283664.db2.gz QVIVLFNOJFEEBG-INIZCTEOSA-N 1 1 324.424 3.596 20 30 DHEDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483678712 1035290043 /nfs/dbraw/zinc/29/00/43/1035290043.db2.gz CRZQHVRBJGGHCB-MFKMUULPSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483678712 1035290048 /nfs/dbraw/zinc/29/00/48/1035290048.db2.gz CRZQHVRBJGGHCB-MFKMUULPSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483678711 1035290267 /nfs/dbraw/zinc/29/02/67/1035290267.db2.gz CRZQHVRBJGGHCB-GXFFZTMASA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483678711 1035290276 /nfs/dbraw/zinc/29/02/76/1035290276.db2.gz CRZQHVRBJGGHCB-GXFFZTMASA-N 1 1 300.299 3.860 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000483958465 1035310467 /nfs/dbraw/zinc/31/04/67/1035310467.db2.gz JPJJPLGNLBQEOT-IBGZPJMESA-N 1 1 323.415 3.798 20 30 DHEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000484080340 1035316461 /nfs/dbraw/zinc/31/64/61/1035316461.db2.gz CSSGPIYFDPMYHM-BFUOFWGJSA-N 1 1 310.372 3.521 20 30 DHEDMO Clc1ccccc1O[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000484093190 1035318547 /nfs/dbraw/zinc/31/85/47/1035318547.db2.gz BOFAOTLQKNHVOS-QGZVFWFLSA-N 1 1 311.812 3.845 20 30 DHEDMO Clc1ccccc1O[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000484093190 1035318552 /nfs/dbraw/zinc/31/85/52/1035318552.db2.gz BOFAOTLQKNHVOS-QGZVFWFLSA-N 1 1 311.812 3.845 20 30 DHEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2OC)o1 ZINC001176767374 1035328919 /nfs/dbraw/zinc/32/89/19/1035328919.db2.gz HMLBWTOLAYRCCS-CQSZACIVSA-N 1 1 313.401 3.676 20 30 DHEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC001176771653 1035330664 /nfs/dbraw/zinc/33/06/64/1035330664.db2.gz QFWCFUCGYLOSBA-AWEZNQCLSA-N 1 1 322.836 3.718 20 30 DHEDMO C[C@@H]1CSCCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC001176827242 1035331645 /nfs/dbraw/zinc/33/16/45/1035331645.db2.gz CUVZLZCLGJFRQT-LLVKDONJSA-N 1 1 314.376 3.904 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1cc(F)ccc1F)CC1CCCCC1 ZINC000484492324 1035341466 /nfs/dbraw/zinc/34/14/66/1035341466.db2.gz WOEHQTLRSCDQDF-UHFFFAOYSA-N 1 1 322.399 3.972 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1ccc(Br)c(Cl)c1 ZINC000484587693 1035368283 /nfs/dbraw/zinc/36/82/83/1035368283.db2.gz UWHAFXSACXNBPL-UHFFFAOYSA-N 1 1 318.642 3.737 20 30 DHEDMO C=CC[N@H+](CCOC)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000484691202 1035389124 /nfs/dbraw/zinc/38/91/24/1035389124.db2.gz YTTUXZKTPUTRJH-LBPRGKRZSA-N 1 1 303.324 3.781 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2cccc(Cl)c2F)no1 ZINC000904549248 1035425847 /nfs/dbraw/zinc/42/58/47/1035425847.db2.gz SVNKWSDLFAAIBF-GFCCVEGCSA-N 1 1 309.772 3.809 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(C[C@@]2(C)CC2(Cl)Cl)no1 ZINC000904735755 1035449914 /nfs/dbraw/zinc/44/99/14/1035449914.db2.gz YOXBXMAARGFMQM-SKDRFNHKSA-N 1 1 304.221 3.552 20 30 DHEDMO C=CCCn1cc(C[N@H+]2CC[C@@H](c3ccccc3)[C@H](CC)C2)nn1 ZINC001179962544 1035561947 /nfs/dbraw/zinc/56/19/47/1035561947.db2.gz PLTXWFFPYGCDLY-YLJYHZDGSA-N 1 1 324.472 3.870 20 30 DHEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC001193460152 1035636498 /nfs/dbraw/zinc/63/64/98/1035636498.db2.gz KUCXTJGSZCKEKE-DLBZAZTESA-N 1 1 316.445 3.846 20 30 DHEDMO C#CC[N@@H+](Cc1cn(CCC)nc1C)[C@H]1CCc2ccccc21 ZINC001180297444 1035650362 /nfs/dbraw/zinc/65/03/62/1035650362.db2.gz XOORGPGOILUGGJ-FQEVSTJZSA-N 1 1 307.441 3.724 20 30 DHEDMO C#CC[N@H+](Cc1cn(CCC)nc1C)[C@H]1CCc2ccccc21 ZINC001180297444 1035650365 /nfs/dbraw/zinc/65/03/65/1035650365.db2.gz XOORGPGOILUGGJ-FQEVSTJZSA-N 1 1 307.441 3.724 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC001180359405 1035653800 /nfs/dbraw/zinc/65/38/00/1035653800.db2.gz KSMNSJNHOLVSRU-UHFFFAOYSA-N 1 1 322.408 3.578 20 30 DHEDMO CC(C)[N@@H+](Cc1ccnn1CC1CCC1)Cc1ccc(C#N)cc1 ZINC001204269686 1035680473 /nfs/dbraw/zinc/68/04/73/1035680473.db2.gz AYYSUHKKGMNPAK-UHFFFAOYSA-N 1 1 322.456 3.965 20 30 DHEDMO C[C@@H]1C[C@H](Nc2cccc(C#N)c2)C[N@@H+](Cc2ccccc2)C1 ZINC001180489305 1035685712 /nfs/dbraw/zinc/68/57/12/1035685712.db2.gz XTLJMVXYNLWFBK-UZLBHIALSA-N 1 1 305.425 3.881 20 30 DHEDMO C[N@@H+](CC#Cc1ccccc1)Cc1ccccc1N1CCCC1 ZINC000191851242 1035738340 /nfs/dbraw/zinc/73/83/40/1035738340.db2.gz JBSYBQKFSXHEOA-UHFFFAOYSA-N 1 1 304.437 3.770 20 30 DHEDMO Clc1cccc(C#CC[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000494651950 1035745655 /nfs/dbraw/zinc/74/56/55/1035745655.db2.gz HCLOCMZQIWSXEN-GOSISDBHSA-N 1 1 303.833 3.583 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000494651950 1035745670 /nfs/dbraw/zinc/74/56/70/1035745670.db2.gz HCLOCMZQIWSXEN-GOSISDBHSA-N 1 1 303.833 3.583 20 30 DHEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000494626003 1035746341 /nfs/dbraw/zinc/74/63/41/1035746341.db2.gz NIUZWIPAFUKENC-VIFPVBQESA-N 1 1 320.742 3.804 20 30 DHEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000494626003 1035746350 /nfs/dbraw/zinc/74/63/50/1035746350.db2.gz NIUZWIPAFUKENC-VIFPVBQESA-N 1 1 320.742 3.804 20 30 DHEDMO Clc1cccc(C#CC[N@@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000494651951 1035746599 /nfs/dbraw/zinc/74/65/99/1035746599.db2.gz HCLOCMZQIWSXEN-SFHVURJKSA-N 1 1 303.833 3.583 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000494651951 1035746610 /nfs/dbraw/zinc/74/66/10/1035746610.db2.gz HCLOCMZQIWSXEN-SFHVURJKSA-N 1 1 303.833 3.583 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC(F)(F)F)c(OC)c1 ZINC001249991318 1035807901 /nfs/dbraw/zinc/80/79/01/1035807901.db2.gz HZHDGFZHQVWDBJ-UHFFFAOYSA-N 1 1 303.324 3.992 20 30 DHEDMO C=C(C)C[N@H+](Cc1cc(C(=O)OC)oc1C)Cc1ccccc1 ZINC001194052440 1035815232 /nfs/dbraw/zinc/81/52/32/1035815232.db2.gz VFWARLJATZFRAU-UHFFFAOYSA-N 1 1 313.397 3.953 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC001194133876 1035839507 /nfs/dbraw/zinc/83/95/07/1035839507.db2.gz ZHIYYVKIZYBDMN-LJQANCHMSA-N 1 1 305.425 3.950 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cnc(OC)c2ccccc12 ZINC001194166253 1035855734 /nfs/dbraw/zinc/85/57/34/1035855734.db2.gz XZAPFOUAMZXZKQ-UHFFFAOYSA-N 1 1 316.404 3.879 20 30 DHEDMO C=CCOc1ccccc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000539819252 1035874362 /nfs/dbraw/zinc/87/43/62/1035874362.db2.gz SVQIQROJXFQWEE-MOPGFXCFSA-N 1 1 314.473 3.699 20 30 DHEDMO C=CCOc1ccc(CN(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000539837063 1035894343 /nfs/dbraw/zinc/89/43/43/1035894343.db2.gz XURQIOAHZHSMMF-GOSISDBHSA-N 1 1 302.462 3.558 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001194270525 1035895521 /nfs/dbraw/zinc/89/55/21/1035895521.db2.gz YOIDNMPTZKNPNH-CEXWTWQISA-N 1 1 317.477 3.800 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)cc1 ZINC001204297295 1035914742 /nfs/dbraw/zinc/91/47/42/1035914742.db2.gz KKVZIFAPICGNFY-HNNXBMFYSA-N 1 1 317.326 3.975 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1ccc(C(F)(F)F)nc1N(C)C ZINC001205109216 1035919213 /nfs/dbraw/zinc/91/92/13/1035919213.db2.gz YVAYBBFOEKAVHM-UHFFFAOYSA-N 1 1 301.356 3.564 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC)cn1 ZINC000088495490 1035920307 /nfs/dbraw/zinc/92/03/07/1035920307.db2.gz KXKZEVZNDNNFBI-UHFFFAOYSA-N 1 1 309.413 3.764 20 30 DHEDMO C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC001194745044 1036002754 /nfs/dbraw/zinc/00/27/54/1036002754.db2.gz KEZPRMXXUPEPDU-RYRKJORJSA-N 1 1 313.445 3.623 20 30 DHEDMO C[N@H+](Cc1ccccc1)CC(C)(C)NCC#Cc1ccc(F)cc1 ZINC000540244705 1036021552 /nfs/dbraw/zinc/02/15/52/1036021552.db2.gz DAFISCDBSULZKH-UHFFFAOYSA-N 1 1 324.443 3.677 20 30 DHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCC#Cc1ccc(F)cc1 ZINC000540244705 1036021569 /nfs/dbraw/zinc/02/15/69/1036021569.db2.gz DAFISCDBSULZKH-UHFFFAOYSA-N 1 1 324.443 3.677 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001194791785 1036023047 /nfs/dbraw/zinc/02/30/47/1036023047.db2.gz OJPZIRFEIOUEJH-WOJBJXKFSA-N 1 1 324.399 3.702 20 30 DHEDMO C[C@@H](C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000761757755 1036090819 /nfs/dbraw/zinc/09/08/19/1036090819.db2.gz NSKIBAIJWJQYNR-OXJNMPFZSA-N 1 1 306.409 3.735 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cccc(C)c1C ZINC000491292787 1036094753 /nfs/dbraw/zinc/09/47/53/1036094753.db2.gz AKTPOVAEWYYNEH-UHFFFAOYSA-N 1 1 312.413 3.566 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cccc(C)c1C ZINC000491292787 1036094771 /nfs/dbraw/zinc/09/47/71/1036094771.db2.gz AKTPOVAEWYYNEH-UHFFFAOYSA-N 1 1 312.413 3.566 20 30 DHEDMO CC(C)[C@@H](C[NH2+]Cc1ccc(C#N)s1)N1CCCCCC1 ZINC000540542924 1036096824 /nfs/dbraw/zinc/09/68/24/1036096824.db2.gz FFPSZFPGBPUQDT-QGZVFWFLSA-N 1 1 305.491 3.610 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc2oc(=O)oc2c1)c1ccc(Cl)cc1 ZINC001182160365 1036112028 /nfs/dbraw/zinc/11/20/28/1036112028.db2.gz IZSGVTASLIYALJ-AWEZNQCLSA-N 1 1 313.740 3.504 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cn1cnc2cc(F)c(F)cc21 ZINC000914570627 1036120213 /nfs/dbraw/zinc/12/02/13/1036120213.db2.gz XVDRSTNRZQXNSW-UHFFFAOYSA-N 1 1 313.351 3.960 20 30 DHEDMO C=C(C)CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182247282 1036147684 /nfs/dbraw/zinc/14/76/84/1036147684.db2.gz FVYSVSCVKFQMEB-QGZVFWFLSA-N 1 1 320.864 3.949 20 30 DHEDMO C=CCC[C@@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000495010113 1036183624 /nfs/dbraw/zinc/18/36/24/1036183624.db2.gz WIHWSZOSCRAVIG-IEBWSBKVSA-N 1 1 314.473 3.727 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c(Cl)c1 ZINC000595503431 1036207022 /nfs/dbraw/zinc/20/70/22/1036207022.db2.gz VCWUJIHIDIZMAR-MRXNPFEDSA-N 1 1 311.816 3.986 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000541239515 1036270562 /nfs/dbraw/zinc/27/05/62/1036270562.db2.gz JJWRHXXJHPLSJY-SJLPKXTDSA-N 1 1 317.477 3.551 20 30 DHEDMO C#C[C@@H]1CCCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001195558829 1036285931 /nfs/dbraw/zinc/28/59/31/1036285931.db2.gz QUPLHRFNOWDSNL-HXUWFJFHSA-N 1 1 324.512 3.676 20 30 DHEDMO C=CCCC[N@@H+](C)Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001195650902 1036310276 /nfs/dbraw/zinc/31/02/76/1036310276.db2.gz RXXMMCVZSQCYMC-HDICACEKSA-N 1 1 316.489 3.694 20 30 DHEDMO C=CCCC[N@H+](C)Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001195650902 1036310305 /nfs/dbraw/zinc/31/03/05/1036310305.db2.gz RXXMMCVZSQCYMC-HDICACEKSA-N 1 1 316.489 3.694 20 30 DHEDMO CC[C@H](C)CN(C)c1ccc(F)cc1C=[NH+]OC1CCOCC1 ZINC000774454564 1036339109 /nfs/dbraw/zinc/33/91/09/1036339109.db2.gz ZHKMBAQGVCOQDL-AWEZNQCLSA-N 1 1 322.424 3.838 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2nccnc2c1 ZINC001182500582 1036366696 /nfs/dbraw/zinc/36/66/96/1036366696.db2.gz VXYSBCYXIYUOOA-CQSZACIVSA-N 1 1 302.381 3.694 20 30 DHEDMO COCC[N@@H+](CCc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC000486718467 1036372920 /nfs/dbraw/zinc/37/29/20/1036372920.db2.gz DFWJTNFYKRPXMF-UHFFFAOYSA-N 1 1 308.425 3.558 20 30 DHEDMO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)ccc1C#N ZINC000486732809 1036381458 /nfs/dbraw/zinc/38/14/58/1036381458.db2.gz SBUDADFIQFXWLG-UZLBHIALSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)ccc1C#N ZINC000486732809 1036381475 /nfs/dbraw/zinc/38/14/75/1036381475.db2.gz SBUDADFIQFXWLG-UZLBHIALSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)ccc1C#N ZINC000486732806 1036381827 /nfs/dbraw/zinc/38/18/27/1036381827.db2.gz SBUDADFIQFXWLG-OXJNMPFZSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)ccc1C#N ZINC000486732806 1036381847 /nfs/dbraw/zinc/38/18/47/1036381847.db2.gz SBUDADFIQFXWLG-OXJNMPFZSA-N 1 1 306.409 3.829 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001195956159 1036406445 /nfs/dbraw/zinc/40/64/45/1036406445.db2.gz WMTMCIPPVOOIGO-CQSZACIVSA-N 1 1 309.356 3.839 20 30 DHEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CCC1 ZINC001182620030 1036413521 /nfs/dbraw/zinc/41/35/21/1036413521.db2.gz WICTWRFPFGONRO-GOSISDBHSA-N 1 1 318.505 3.894 20 30 DHEDMO C=CCN(CC1CCCCC1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC001182678069 1036418546 /nfs/dbraw/zinc/41/85/46/1036418546.db2.gz NEAMOLVEYUHUAG-GOSISDBHSA-N 1 1 306.494 3.846 20 30 DHEDMO CC#CCCCCCCCC(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001182766975 1036451631 /nfs/dbraw/zinc/45/16/31/1036451631.db2.gz JMHDXAVNYJXHEM-UHFFFAOYSA-N 1 1 324.428 3.960 20 30 DHEDMO C[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc(C#N)cc1F ZINC000541904647 1036458269 /nfs/dbraw/zinc/45/82/69/1036458269.db2.gz NPSIRWWFJZGTSG-BFUOFWGJSA-N 1 1 309.388 3.535 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC001183065023 1036516046 /nfs/dbraw/zinc/51/60/46/1036516046.db2.gz CTQHENDEFKJHDU-GFCCVEGCSA-N 1 1 310.235 3.861 20 30 DHEDMO C#CCOCC[N@@H+]1CCC[C@@]1(C)Cc1cccc2ccccc21 ZINC001196349331 1036513098 /nfs/dbraw/zinc/51/30/98/1036513098.db2.gz TUAOGORCPHVNET-NRFANRHFSA-N 1 1 307.437 3.887 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1CO ZINC001196358135 1036513622 /nfs/dbraw/zinc/51/36/22/1036513622.db2.gz RYDDQLBXDTVMLA-OXQOHEQNSA-N 1 1 320.436 3.676 20 30 DHEDMO C=CC[C@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC001183065024 1036515796 /nfs/dbraw/zinc/51/57/96/1036515796.db2.gz CTQHENDEFKJHDU-LBPRGKRZSA-N 1 1 310.235 3.861 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC001183065024 1036515814 /nfs/dbraw/zinc/51/58/14/1036515814.db2.gz CTQHENDEFKJHDU-LBPRGKRZSA-N 1 1 310.235 3.861 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC001183065023 1036516038 /nfs/dbraw/zinc/51/60/38/1036516038.db2.gz CTQHENDEFKJHDU-GFCCVEGCSA-N 1 1 310.235 3.861 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](C[C@H]1C[C@@H]1c1ccccc1)C2 ZINC001183179796 1036533103 /nfs/dbraw/zinc/53/31/03/1036533103.db2.gz IKDNQMWPFBPFNG-TZIWHRDSSA-N 1 1 302.421 3.914 20 30 DHEDMO CCc1ccccc1N[NH+]=C(C)c1ccc(N2CCOCC2)cc1 ZINC000915051864 1036588008 /nfs/dbraw/zinc/58/80/08/1036588008.db2.gz WLKLCVNXCWCAJV-UHFFFAOYSA-N 1 1 323.440 3.922 20 30 DHEDMO C#C[C@@H](C)N(C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000491735954 1036629821 /nfs/dbraw/zinc/62/98/21/1036629821.db2.gz QKYMWFFXNJTSEP-OAHLLOKOSA-N 1 1 324.428 3.540 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000491786416 1036637068 /nfs/dbraw/zinc/63/70/68/1036637068.db2.gz OQDAOLMPXVQHAX-HNNXBMFYSA-N 1 1 308.429 3.514 20 30 DHEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1O ZINC000495453633 1036656540 /nfs/dbraw/zinc/65/65/40/1036656540.db2.gz DPCSQXOAJBGWTJ-ZWKOTPCHSA-N 1 1 314.473 3.717 20 30 DHEDMO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1C#N ZINC001183754579 1036669719 /nfs/dbraw/zinc/66/97/19/1036669719.db2.gz FPKPKBREBWSQNM-UHFFFAOYSA-N 1 1 315.760 3.718 20 30 DHEDMO C=CCCCCC[N@@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000488107955 1036850497 /nfs/dbraw/zinc/85/04/97/1036850497.db2.gz ZYJSZNWCAARBRI-GOSISDBHSA-N 1 1 301.430 3.707 20 30 DHEDMO C=CCCCCC[N@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000488107955 1036850517 /nfs/dbraw/zinc/85/05/17/1036850517.db2.gz ZYJSZNWCAARBRI-GOSISDBHSA-N 1 1 301.430 3.707 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@@H](c2ncc(Br)cn2)C1 ZINC001197752073 1036867125 /nfs/dbraw/zinc/86/71/25/1036867125.db2.gz XDSJGOSSFUCCTR-CYBMUJFWSA-N 1 1 324.266 3.775 20 30 DHEDMO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000495772788 1036909875 /nfs/dbraw/zinc/90/98/75/1036909875.db2.gz ZXGRZTFUOPQIRV-HNNXBMFYSA-N 1 1 323.481 3.553 20 30 DHEDMO C#CC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C(C)(C)C ZINC001197936970 1036911848 /nfs/dbraw/zinc/91/18/48/1036911848.db2.gz FJCSQKIMZKHWOG-UHFFFAOYSA-N 1 1 313.228 3.666 20 30 DHEDMO C#CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C(C)(C)C ZINC001197936970 1036911857 /nfs/dbraw/zinc/91/18/57/1036911857.db2.gz FJCSQKIMZKHWOG-UHFFFAOYSA-N 1 1 313.228 3.666 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](CCCc3cccc(F)c3)CCO2)c1 ZINC000492626542 1036946800 /nfs/dbraw/zinc/94/68/00/1036946800.db2.gz ITNHJXFGRZXMPM-HXUWFJFHSA-N 1 1 324.399 3.703 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](CCCc3cccc(F)c3)CCO2)c1 ZINC000492626542 1036946808 /nfs/dbraw/zinc/94/68/08/1036946808.db2.gz ITNHJXFGRZXMPM-HXUWFJFHSA-N 1 1 324.399 3.703 20 30 DHEDMO Cc1cc(CNCC[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000443996861 1037003493 /nfs/dbraw/zinc/00/34/93/1037003493.db2.gz KOEOCEWAXXJRCM-GOSISDBHSA-N 1 1 321.468 3.867 20 30 DHEDMO Cc1cc(C[NH2+]CC[C@@H](C)N(C)Cc2ccccc2)ccc1C#N ZINC000443996861 1037003534 /nfs/dbraw/zinc/00/35/34/1037003534.db2.gz KOEOCEWAXXJRCM-GOSISDBHSA-N 1 1 321.468 3.867 20 30 DHEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1-n1cncn1 ZINC001198414263 1037015433 /nfs/dbraw/zinc/01/54/33/1037015433.db2.gz JUARXFAQLCXEGQ-MRXNPFEDSA-N 1 1 316.836 3.851 20 30 DHEDMO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc(OC)c1 ZINC000193613478 1037023461 /nfs/dbraw/zinc/02/34/61/1037023461.db2.gz KGIOEMWYGKUDHT-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1OC ZINC000193613355 1037023820 /nfs/dbraw/zinc/02/38/20/1037023820.db2.gz DIVDOJPIOHXALR-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC001198457629 1037025026 /nfs/dbraw/zinc/02/50/26/1037025026.db2.gz FMYHTPATTUAFGJ-QGZVFWFLSA-N 1 1 313.445 3.610 20 30 DHEDMO CCC(CC)C[N@H+](CC)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000488515135 1037065738 /nfs/dbraw/zinc/06/57/38/1037065738.db2.gz PDNHJLRNVHMRCF-KRWDZBQOSA-N 1 1 302.418 3.530 20 30 DHEDMO CCC(CC)C[N@@H+](CC)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000488515135 1037065756 /nfs/dbraw/zinc/06/57/56/1037065756.db2.gz PDNHJLRNVHMRCF-KRWDZBQOSA-N 1 1 302.418 3.530 20 30 DHEDMO C=CC[C@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000488613817 1037091457 /nfs/dbraw/zinc/09/14/57/1037091457.db2.gz OIKGEEDGPBFLDT-AOIWGVFYSA-N 1 1 314.473 3.725 20 30 DHEDMO C=C(C)C[N@H+]1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001198838428 1037153235 /nfs/dbraw/zinc/15/32/35/1037153235.db2.gz YLSRGVUOWJJDMU-CRAIPNDOSA-N 1 1 308.466 3.579 20 30 DHEDMO C[N@H+]1CC[C@H](Nc2cc(F)ccc2C#N)[C@H]1c1ccc(F)cc1 ZINC001185818775 1037252828 /nfs/dbraw/zinc/25/28/28/1037252828.db2.gz CYWUSPBMTGBVBH-FUHWJXTLSA-N 1 1 313.351 3.694 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)cc1 ZINC000489182531 1037302524 /nfs/dbraw/zinc/30/25/24/1037302524.db2.gz KUMYCOVQZJXJAL-NRFANRHFSA-N 1 1 318.420 3.572 20 30 DHEDMO C=CCOc1cccc(C[NH2+]Cc2ccn(-c3ccccc3)n2)c1 ZINC001199812879 1037344997 /nfs/dbraw/zinc/34/49/97/1037344997.db2.gz NJCHCNDABARMPV-UHFFFAOYSA-N 1 1 319.408 3.727 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000489420593 1037421356 /nfs/dbraw/zinc/42/13/56/1037421356.db2.gz AEUMNDWOLJQFHM-GFCCVEGCSA-N 1 1 305.328 3.555 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000489420593 1037421364 /nfs/dbraw/zinc/42/13/64/1037421364.db2.gz AEUMNDWOLJQFHM-GFCCVEGCSA-N 1 1 305.328 3.555 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc2ccccc21 ZINC000489426902 1037425854 /nfs/dbraw/zinc/42/58/54/1037425854.db2.gz NDWMJUKDLXKLCU-ZWKOTPCHSA-N 1 1 311.425 3.620 20 30 DHEDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763242322 1037525584 /nfs/dbraw/zinc/52/55/84/1037525584.db2.gz UONPVCGRNMPPPW-SFTDATJTSA-N 1 1 320.436 3.847 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000494000130 1037613453 /nfs/dbraw/zinc/61/34/53/1037613453.db2.gz OMUZYOJRPCPMLY-UHFFFAOYSA-N 1 1 305.381 3.680 20 30 DHEDMO CN(C)c1ccc(C=[NH+]NCc2ccc(C(F)(F)F)cc2)cc1 ZINC000915972458 1037624815 /nfs/dbraw/zinc/62/48/15/1037624815.db2.gz NYQMJDOZAKUNGD-UHFFFAOYSA-N 1 1 321.346 3.895 20 30 DHEDMO C=CCCC[N@H+](CCOC)Cc1ccc(Br)s1 ZINC000494218619 1037671969 /nfs/dbraw/zinc/67/19/69/1037671969.db2.gz DLXIKKZMBVVHBM-UHFFFAOYSA-N 1 1 318.280 3.925 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@@H]2C(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000490431502 1037709396 /nfs/dbraw/zinc/70/93/96/1037709396.db2.gz JFXGNWVAHDACOG-GOSISDBHSA-N 1 1 322.456 3.969 20 30 DHEDMO Cc1cc(C[N@H+](Cc2ccccc2)[C@@H](C)CCO)ccc1C#N ZINC000488099633 1037716866 /nfs/dbraw/zinc/71/68/66/1037716866.db2.gz DKULWUSMVGAXIU-KRWDZBQOSA-N 1 1 308.425 3.640 20 30 DHEDMO C#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001201475177 1037738558 /nfs/dbraw/zinc/73/85/58/1037738558.db2.gz UDIWEOTUGBEHQW-RTWAWAEBSA-N 1 1 315.420 3.796 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000075758613 1037752004 /nfs/dbraw/zinc/75/20/04/1037752004.db2.gz GIRUHUYRBRUZLT-UHFFFAOYSA-N 1 1 319.408 3.727 20 30 DHEDMO CCCC[C@@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCCC#N ZINC001273552256 1037784740 /nfs/dbraw/zinc/78/47/40/1037784740.db2.gz UOLJNEAHCSQCLX-SQNIBIBYSA-N 1 1 319.493 3.572 20 30 DHEDMO C=CCCn1cc(C[NH2+][C@H](CC)c2ccc(C)c(F)c2)nn1 ZINC001201714476 1037851886 /nfs/dbraw/zinc/85/18/86/1037851886.db2.gz OHXPEZAYVFJVNT-QGZVFWFLSA-N 1 1 302.397 3.543 20 30 DHEDMO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)ccc1C#N ZINC000488173432 1037853279 /nfs/dbraw/zinc/85/32/79/1037853279.db2.gz VAYUSGWVDXDEQZ-KDOFPFPSSA-N 1 1 312.438 3.890 20 30 DHEDMO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)ccc1C#N ZINC000488173432 1037853304 /nfs/dbraw/zinc/85/33/04/1037853304.db2.gz VAYUSGWVDXDEQZ-KDOFPFPSSA-N 1 1 312.438 3.890 20 30 DHEDMO CCCCCCC[N@H+]1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001201762300 1037885219 /nfs/dbraw/zinc/88/52/19/1037885219.db2.gz DZMSFKRSJSBKPZ-UHFFFAOYSA-N 1 1 320.525 3.854 20 30 DHEDMO CCCCCCC[N@H+]1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001201762235 1037885300 /nfs/dbraw/zinc/88/53/00/1037885300.db2.gz BWCBQNDBKQHISV-AOIWGVFYSA-N 1 1 318.461 3.663 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@H+](CCCCCCCC)C2)C1=O ZINC001201813578 1037901077 /nfs/dbraw/zinc/90/10/77/1037901077.db2.gz GODVUURFXPBHRA-IBGZPJMESA-N 1 1 306.494 3.847 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCCCCCC)CC2 ZINC001201776721 1037904806 /nfs/dbraw/zinc/90/48/06/1037904806.db2.gz IXEQMOLZGQDMES-IBGZPJMESA-N 1 1 306.494 3.990 20 30 DHEDMO CC[N@H+](CCOc1ccccc1C(F)(F)F)C[C@@H](C)C#N ZINC000124854592 1037914931 /nfs/dbraw/zinc/91/49/31/1037914931.db2.gz YESXZHBPDGFXNL-LBPRGKRZSA-N 1 1 300.324 3.566 20 30 DHEDMO CC[N@@H+](CCOc1ccccc1C(F)(F)F)C[C@@H](C)C#N ZINC000124854592 1037914941 /nfs/dbraw/zinc/91/49/41/1037914941.db2.gz YESXZHBPDGFXNL-LBPRGKRZSA-N 1 1 300.324 3.566 20 30 DHEDMO CCCCCCCCC[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC001201839677 1037917079 /nfs/dbraw/zinc/91/70/79/1037917079.db2.gz PNLZTPFBSSCXPV-UHFFFAOYSA-N 1 1 306.450 3.788 20 30 DHEDMO CCCCCCCCC[N@@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001201839768 1037918101 /nfs/dbraw/zinc/91/81/01/1037918101.db2.gz RKVWXWFQKMRBPT-KRWDZBQOSA-N 1 1 322.497 3.594 20 30 DHEDMO CCCCCCCCC[N@H+]1CCc2c(nnn2CC)[C@@H]1COC ZINC001201839768 1037918112 /nfs/dbraw/zinc/91/81/12/1037918112.db2.gz RKVWXWFQKMRBPT-KRWDZBQOSA-N 1 1 322.497 3.594 20 30 DHEDMO CCCCCCCCCC[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001201875344 1037928572 /nfs/dbraw/zinc/92/85/72/1037928572.db2.gz WHJUXDXGTUERDS-INIZCTEOSA-N 1 1 303.512 3.636 20 30 DHEDMO Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000586788692 1037970594 /nfs/dbraw/zinc/97/05/94/1037970594.db2.gz MLLORCZJKVEPSX-INIZCTEOSA-N 1 1 310.401 3.516 20 30 DHEDMO Cc1noc([C@@H]2CCC[N@H+]2Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000586788692 1037970608 /nfs/dbraw/zinc/97/06/08/1037970608.db2.gz MLLORCZJKVEPSX-INIZCTEOSA-N 1 1 310.401 3.516 20 30 DHEDMO COCCc1cc[nH+]c(N[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000586795059 1037975207 /nfs/dbraw/zinc/97/52/07/1037975207.db2.gz ILBNKRZSDXYKSU-GOSISDBHSA-N 1 1 307.397 3.632 20 30 DHEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156375082 1038058723 /nfs/dbraw/zinc/05/87/23/1038058723.db2.gz IUGPZFLHKUDUGS-PMACEKPBSA-N 1 1 308.425 3.921 20 30 DHEDMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(C)(C)CCC#N ZINC000494362648 1038061777 /nfs/dbraw/zinc/06/17/77/1038061777.db2.gz ISWPLGLXZLJTFX-GJZGRUSLSA-N 1 1 323.481 3.551 20 30 DHEDMO CC[C@H](C)[N@@H+](CC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000595593157 1038107348 /nfs/dbraw/zinc/10/73/48/1038107348.db2.gz OLOWQMSEHXJMEM-INIZCTEOSA-N 1 1 315.461 3.671 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1ccccc1SC(F)F)C(C)C ZINC000917071534 1038171345 /nfs/dbraw/zinc/17/13/45/1038171345.db2.gz UYUUBLZFCJSQGJ-UHFFFAOYSA-N 1 1 314.401 3.836 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1SC(F)F)C(C)C ZINC000917071534 1038171352 /nfs/dbraw/zinc/17/13/52/1038171352.db2.gz UYUUBLZFCJSQGJ-UHFFFAOYSA-N 1 1 314.401 3.836 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000127388442 1038179902 /nfs/dbraw/zinc/17/99/02/1038179902.db2.gz BZJRPCJDMZAKOV-UHFFFAOYSA-N 1 1 322.408 3.764 20 30 DHEDMO C#CC[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCc2ccccc21 ZINC000917117483 1038218301 /nfs/dbraw/zinc/21/83/01/1038218301.db2.gz OMTKJXDGDFEULO-FQEVSTJZSA-N 1 1 304.368 3.820 20 30 DHEDMO C#CC[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCc2ccccc21 ZINC000917117483 1038218314 /nfs/dbraw/zinc/21/83/14/1038218314.db2.gz OMTKJXDGDFEULO-FQEVSTJZSA-N 1 1 304.368 3.820 20 30 DHEDMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1[C@H]1CC[C@H](C#N)C1 ZINC000571780021 1038250631 /nfs/dbraw/zinc/25/06/31/1038250631.db2.gz FNZSPUYJAUYUFF-IPYPFGDCSA-N 1 1 321.827 3.682 20 30 DHEDMO CC(C)(C)[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000156719738 1038254202 /nfs/dbraw/zinc/25/42/02/1038254202.db2.gz ONRDFDCLXOEVOZ-IBGZPJMESA-N 1 1 308.425 3.892 20 30 DHEDMO C[N@@H+](Cc1ccnc(C#N)c1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000588212295 1038276741 /nfs/dbraw/zinc/27/67/41/1038276741.db2.gz PXBBNYUOJHODCM-RBUKOAKNSA-N 1 1 321.424 3.631 20 30 DHEDMO C=CC[N@@H+](C[C@@H]1CCC2(CCOCC2)O1)CC1CCCCC1 ZINC001190985735 1038413442 /nfs/dbraw/zinc/41/34/42/1038413442.db2.gz RHCXVGCAESIVJS-SFHVURJKSA-N 1 1 307.478 3.783 20 30 DHEDMO CCCCCCCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001191104595 1038438577 /nfs/dbraw/zinc/43/85/77/1038438577.db2.gz JMOGBMSXZRDLBI-INIZCTEOSA-N 1 1 319.449 3.523 20 30 DHEDMO C(#CC1CC[NH+](C2CCN(CC3CC3)CC2)CC1)c1ccccc1 ZINC001168388284 1038453365 /nfs/dbraw/zinc/45/33/65/1038453365.db2.gz DCARHLNKQXJBCW-UHFFFAOYSA-N 1 1 322.496 3.625 20 30 DHEDMO N#Cc1ccc(C2CC[NH+](C3CCN(CC4CC4)CC3)CC2)cc1 ZINC001168388663 1038456622 /nfs/dbraw/zinc/45/66/22/1038456622.db2.gz DYBKOMYPAOFZTO-UHFFFAOYSA-N 1 1 323.484 3.612 20 30 DHEDMO N#Cc1ccc(C2CCN(C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC001168388663 1038456628 /nfs/dbraw/zinc/45/66/28/1038456628.db2.gz DYBKOMYPAOFZTO-UHFFFAOYSA-N 1 1 323.484 3.612 20 30 DHEDMO C=CCOc1ccc(CNCC[N@H+]2CCCC[C@H]2C)cc1Cl ZINC000589640298 1038525421 /nfs/dbraw/zinc/52/54/21/1038525421.db2.gz HVFMLLJEIDYHIL-OAHLLOKOSA-N 1 1 322.880 3.869 20 30 DHEDMO C=CCOc1ccc(CNCC[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC000589640298 1038525425 /nfs/dbraw/zinc/52/54/25/1038525425.db2.gz HVFMLLJEIDYHIL-OAHLLOKOSA-N 1 1 322.880 3.869 20 30 DHEDMO Cc1nc(N[C@H]2C[N@@H+](C)Cc3ccccc32)c(Cl)cc1C#N ZINC000589689857 1038533781 /nfs/dbraw/zinc/53/37/81/1038533781.db2.gz PSMHLBMMRKASFI-INIZCTEOSA-N 1 1 312.804 3.514 20 30 DHEDMO Cc1nc(N[C@H]2C[N@H+](C)Cc3ccccc32)c(Cl)cc1C#N ZINC000589689857 1038533791 /nfs/dbraw/zinc/53/37/91/1038533791.db2.gz PSMHLBMMRKASFI-INIZCTEOSA-N 1 1 312.804 3.514 20 30 DHEDMO CSCc1cnc(C[NH2+][C@H](C)c2cccc(C#N)c2)s1 ZINC000590186872 1038600153 /nfs/dbraw/zinc/60/01/53/1038600153.db2.gz PUDKXNNLDRXGDT-LLVKDONJSA-N 1 1 303.456 3.729 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001192653154 1038687324 /nfs/dbraw/zinc/68/73/24/1038687324.db2.gz MJNAPTNXSXJTCG-HUUCEWRRSA-N 1 1 317.351 3.810 20 30 DHEDMO CCCC[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1CCCC[C@H]1OC ZINC000590758761 1038699302 /nfs/dbraw/zinc/69/93/02/1038699302.db2.gz BJJHXHACKFDBQI-QZTJIDSGSA-N 1 1 301.434 3.513 20 30 DHEDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000590756931 1038700177 /nfs/dbraw/zinc/70/01/77/1038700177.db2.gz OGANTJYYOBRGJS-QAPCUYQASA-N 1 1 300.446 3.735 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H]2CC(C)(C)C)c1=S ZINC000057821723 1038749762 /nfs/dbraw/zinc/74/97/62/1038749762.db2.gz JMCVGVFVTLNKEC-AWEZNQCLSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H]2CC(C)(C)C)c1=S ZINC000057821723 1038749773 /nfs/dbraw/zinc/74/97/73/1038749773.db2.gz JMCVGVFVTLNKEC-AWEZNQCLSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000591471338 1038881263 /nfs/dbraw/zinc/88/12/63/1038881263.db2.gz AKFBWIFEIIHLJX-PKOBYXMFSA-N 1 1 317.473 3.665 20 30 DHEDMO Cc1cc(C(=O)C[NH+]2CCC(CCC#N)CC2)c(C)n1C1CC1 ZINC000573320767 1038910737 /nfs/dbraw/zinc/91/07/37/1038910737.db2.gz JLDHBJRTHNNMOQ-UHFFFAOYSA-N 1 1 313.445 3.638 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591582336 1038940105 /nfs/dbraw/zinc/94/01/05/1038940105.db2.gz ISPXQQYWOJOXPU-PKOBYXMFSA-N 1 1 309.457 3.590 20 30 DHEDMO N#Cc1cnccc1C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000592059159 1039104991 /nfs/dbraw/zinc/10/49/91/1039104991.db2.gz OWRNGYVLSRQURV-UHFFFAOYSA-N 1 1 316.408 3.814 20 30 DHEDMO CC(C)CC1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000760925808 1039116237 /nfs/dbraw/zinc/11/62/37/1039116237.db2.gz MGUXOFGNLIJDHQ-UHFFFAOYSA-N 1 1 324.428 3.866 20 30 DHEDMO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2ccncc2C#N)c1 ZINC000592098481 1039119739 /nfs/dbraw/zinc/11/97/39/1039119739.db2.gz AXBQWPTTZKMTOF-LIRRHRJNSA-N 1 1 307.397 3.545 20 30 DHEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2ccncc2C#N)c1 ZINC000592098481 1039119756 /nfs/dbraw/zinc/11/97/56/1039119756.db2.gz AXBQWPTTZKMTOF-LIRRHRJNSA-N 1 1 307.397 3.545 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000592076394 1039121042 /nfs/dbraw/zinc/12/10/42/1039121042.db2.gz ZBSGRUPRVZBARJ-HXUWFJFHSA-N 1 1 305.425 3.941 20 30 DHEDMO Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1C#N ZINC000599440737 1039156017 /nfs/dbraw/zinc/15/60/17/1039156017.db2.gz ZTRDWVGPKNAQTF-IBGZPJMESA-N 1 1 310.441 3.648 20 30 DHEDMO Cc1ccc(C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)cc1C#N ZINC000599431263 1039161942 /nfs/dbraw/zinc/16/19/42/1039161942.db2.gz BXOUCQICSZASRF-SFHVURJKSA-N 1 1 314.816 3.686 20 30 DHEDMO CC[N@@H+](CCSC)Cc1ccc(Br)cc1C#N ZINC000592201967 1039180406 /nfs/dbraw/zinc/18/04/06/1039180406.db2.gz LLNHXWBEXTYBLZ-UHFFFAOYSA-N 1 1 313.264 3.506 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599515205 1039185861 /nfs/dbraw/zinc/18/58/61/1039185861.db2.gz AKPANNRPWVYBCL-CQSZACIVSA-N 1 1 313.351 3.611 20 30 DHEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599515205 1039185875 /nfs/dbraw/zinc/18/58/75/1039185875.db2.gz AKPANNRPWVYBCL-CQSZACIVSA-N 1 1 313.351 3.611 20 30 DHEDMO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783301568 1039196481 /nfs/dbraw/zinc/19/64/81/1039196481.db2.gz YPLJKPISXAGSTB-LLVKDONJSA-N 1 1 314.458 3.867 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000599529326 1039199292 /nfs/dbraw/zinc/19/92/92/1039199292.db2.gz MMZMNMFUHRCCPT-GFCCVEGCSA-N 1 1 305.219 3.719 20 30 DHEDMO Cc1cc(Cl)ccc1C1=CC[N@@H+](CCOCCC#N)CC1 ZINC000599619336 1039229458 /nfs/dbraw/zinc/22/94/58/1039229458.db2.gz HVZZGTUUUHKEOD-UHFFFAOYSA-N 1 1 304.821 3.668 20 30 DHEDMO CCOCC[N@@H+](CCC(C)(C)C#N)[C@H]1CCc2ccccc21 ZINC000599625048 1039247960 /nfs/dbraw/zinc/24/79/60/1039247960.db2.gz FRGCRASUVAFLPM-SFHVURJKSA-N 1 1 300.446 3.952 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)cc1F ZINC000599675939 1039254184 /nfs/dbraw/zinc/25/41/84/1039254184.db2.gz AHQHTSJPAIQQTI-QGZVFWFLSA-N 1 1 310.372 3.695 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](CCCC(C)(C)C#N)C2)cc1F ZINC000599675959 1039254528 /nfs/dbraw/zinc/25/45/28/1039254528.db2.gz AZVGUDIGSLAGDF-HNNXBMFYSA-N 1 1 304.409 3.954 20 30 DHEDMO COCC[C@H](c1ccccc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677579 1039254555 /nfs/dbraw/zinc/25/45/55/1039254555.db2.gz MXAQYNZYVICRDO-OAQYLSRUSA-N 1 1 320.436 3.889 20 30 DHEDMO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CCCC#N ZINC000599653888 1039255472 /nfs/dbraw/zinc/25/54/72/1039255472.db2.gz WSMUSWFDIAUVAZ-GXTWGEPZSA-N 1 1 307.235 3.931 20 30 DHEDMO COC[C@@H](C)[N@@H+](CCC(C)(C)C#N)[C@@H]1CCc2ccccc21 ZINC000599683325 1039269603 /nfs/dbraw/zinc/26/96/03/1039269603.db2.gz REORYXCVWCXSSI-CRAIPNDOSA-N 1 1 300.446 3.951 20 30 DHEDMO COC[C@H](C)[N@@H+](CCC(C)(C)C#N)[C@@H]1CCc2ccccc21 ZINC000599683326 1039270002 /nfs/dbraw/zinc/27/00/02/1039270002.db2.gz REORYXCVWCXSSI-MAUKXSAKSA-N 1 1 300.446 3.951 20 30 DHEDMO COc1ccc(C[C@H]2CCCC[N@H+]2CCCSCC#N)cc1 ZINC000593079094 1039445450 /nfs/dbraw/zinc/44/54/50/1039445450.db2.gz ACFDESOCMOLQNF-QGZVFWFLSA-N 1 1 318.486 3.739 20 30 DHEDMO C[C@@H]([N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C ZINC000604435112 1039474456 /nfs/dbraw/zinc/47/44/56/1039474456.db2.gz XLBBBHIVZUEREP-GFCCVEGCSA-N 1 1 321.852 3.907 20 30 DHEDMO CCC[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1F ZINC000604493417 1039484624 /nfs/dbraw/zinc/48/46/24/1039484624.db2.gz VMOUQXFTRKZJRB-UHFFFAOYSA-N 1 1 312.388 3.988 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000058733084 1039502082 /nfs/dbraw/zinc/50/20/82/1039502082.db2.gz UOOUXEIHYWWBTA-NRFANRHFSA-N 1 1 313.404 3.965 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000058733084 1039502095 /nfs/dbraw/zinc/50/20/95/1039502095.db2.gz UOOUXEIHYWWBTA-NRFANRHFSA-N 1 1 313.404 3.965 20 30 DHEDMO CC[C@@H](C#N)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000593397853 1039532091 /nfs/dbraw/zinc/53/20/91/1039532091.db2.gz OGPHCSHJQZTNSH-HNNXBMFYSA-N 1 1 313.445 3.939 20 30 DHEDMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000058829495 1039570506 /nfs/dbraw/zinc/57/05/06/1039570506.db2.gz VCJOCPHYTALRJT-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO CCOc1c(Cl)cc(C[NH2+]CC2(C#N)CCCC2)cc1OC ZINC000593650335 1039575956 /nfs/dbraw/zinc/57/59/56/1039575956.db2.gz RJWKVJCEOFFNGZ-UHFFFAOYSA-N 1 1 322.836 3.921 20 30 DHEDMO N#CC1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CCCC1 ZINC000593650541 1039578113 /nfs/dbraw/zinc/57/81/13/1039578113.db2.gz UCMUBJDLYCYJAC-UHFFFAOYSA-N 1 1 320.820 3.675 20 30 DHEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2cccc3ccccc32)no1 ZINC000593943805 1039632213 /nfs/dbraw/zinc/63/22/13/1039632213.db2.gz OQZFIKGUNOAYCW-MRXNPFEDSA-N 1 1 306.369 3.974 20 30 DHEDMO CCOC(=O)CC[N@@H+](Cc1ccccc1C(C)(C)C#N)C(C)C ZINC000594051727 1039675146 /nfs/dbraw/zinc/67/51/46/1039675146.db2.gz NRAZFAFUOFWSQF-UHFFFAOYSA-N 1 1 316.445 3.651 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000605738768 1039744046 /nfs/dbraw/zinc/74/40/46/1039744046.db2.gz RKWACBSQQJOVBP-KRWDZBQOSA-N 1 1 314.473 3.712 20 30 DHEDMO COC(=O)c1coc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594519164 1039825460 /nfs/dbraw/zinc/82/54/60/1039825460.db2.gz UUFJAJAIVOIGJO-ZDUSSCGKSA-N 1 1 324.380 3.668 20 30 DHEDMO N#Cc1cc(C[NH+]2CCC(=Cc3cccc(F)c3)CC2)ccn1 ZINC000593966373 1039838626 /nfs/dbraw/zinc/83/86/26/1039838626.db2.gz BPBMDEFPWKMSFS-UHFFFAOYSA-N 1 1 307.372 3.772 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1noc2ccccc21 ZINC000594013385 1039941118 /nfs/dbraw/zinc/94/11/18/1039941118.db2.gz WBAXKPGUSQKANY-CQSZACIVSA-N 1 1 305.381 3.935 20 30 DHEDMO COc1ccc(C[C@@H]2CCCC[N@H+]2Cc2ccc(C#N)cn2)cc1 ZINC000594014364 1039942155 /nfs/dbraw/zinc/94/21/55/1039942155.db2.gz CAGQNDUNCIPOJK-IBGZPJMESA-N 1 1 321.424 3.559 20 30 DHEDMO C[C@@H](CCNCc1ccc(C2(C#N)CC2)cc1)[NH+]1CCCCC1 ZINC000594944776 1039957365 /nfs/dbraw/zinc/95/73/65/1039957365.db2.gz WIRDSZUZKMELQL-KRWDZBQOSA-N 1 1 311.473 3.596 20 30 DHEDMO N#Cc1ccc(C2([NH2+]Cc3nc4ccccc4o3)CCC2)cc1 ZINC000594032746 1039970117 /nfs/dbraw/zinc/97/01/17/1039970117.db2.gz NYOULBINERGQPA-UHFFFAOYSA-N 1 1 303.365 3.868 20 30 DHEDMO COCCCOc1cccc(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000594993230 1040011473 /nfs/dbraw/zinc/01/14/73/1040011473.db2.gz BMQXEVLVGRIWLC-UHFFFAOYSA-N 1 1 316.445 3.666 20 30 DHEDMO Cc1cn2c(C[NH2+]CC3(C#N)CCCCC3)c(C)nc2s1 ZINC000594994320 1040011650 /nfs/dbraw/zinc/01/16/50/1040011650.db2.gz KKMHYZWQYLTWBZ-UHFFFAOYSA-N 1 1 302.447 3.576 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000533957826 1040025056 /nfs/dbraw/zinc/02/50/56/1040025056.db2.gz PBXJEDBMDAHRAV-UHFFFAOYSA-N 1 1 314.429 3.624 20 30 DHEDMO C=CCCSCC[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000595060579 1040026549 /nfs/dbraw/zinc/02/65/49/1040026549.db2.gz VWCHXQKLNNLPKK-MRXNPFEDSA-N 1 1 319.449 3.548 20 30 DHEDMO C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000595332488 1040098888 /nfs/dbraw/zinc/09/88/88/1040098888.db2.gz GEQGQUXSAVFQEN-OXJNMPFZSA-N 1 1 306.409 3.563 20 30 DHEDMO CCC[N@@H+](CCc1ccc(C#N)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000595330127 1040100575 /nfs/dbraw/zinc/10/05/75/1040100575.db2.gz JBAUEEULUDKHPB-QRVBRYPASA-N 1 1 312.457 3.626 20 30 DHEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595305720 1040105167 /nfs/dbraw/zinc/10/51/67/1040105167.db2.gz JJGGJHCUOBUPEP-UZLBHIALSA-N 1 1 306.409 3.563 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000595319679 1040107592 /nfs/dbraw/zinc/10/75/92/1040107592.db2.gz CPYWCKRNYLUENQ-IBGZPJMESA-N 1 1 308.450 3.891 20 30 DHEDMO C[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000575062848 1040121282 /nfs/dbraw/zinc/12/12/82/1040121282.db2.gz BCDGCUJXIFOFMP-IBGZPJMESA-N 1 1 321.380 3.630 20 30 DHEDMO N#C[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000595376524 1040126786 /nfs/dbraw/zinc/12/67/86/1040126786.db2.gz KALHJNIGVLBRKY-HIFRSBDPSA-N 1 1 300.793 3.507 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](CCOCc3ccccc3)CC2)cc1 ZINC000595408627 1040130722 /nfs/dbraw/zinc/13/07/22/1040130722.db2.gz RETQBDHPSPSFAH-UHFFFAOYSA-N 1 1 318.420 3.864 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595426853 1040136436 /nfs/dbraw/zinc/13/64/36/1040136436.db2.gz KONPCWVIRCQMAP-UHFFFAOYSA-N 1 1 304.321 3.558 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595426853 1040136446 /nfs/dbraw/zinc/13/64/46/1040136446.db2.gz KONPCWVIRCQMAP-UHFFFAOYSA-N 1 1 304.321 3.558 20 30 DHEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2cc(C#N)ccn2)c1 ZINC001168423207 1040193676 /nfs/dbraw/zinc/19/36/76/1040193676.db2.gz DYHPDPFBCVWHHW-AUUYWEPGSA-N 1 1 307.397 3.545 20 30 DHEDMO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595622462 1040195066 /nfs/dbraw/zinc/19/50/66/1040195066.db2.gz AXGHQGHLXZZSTH-HNNXBMFYSA-N 1 1 314.429 3.768 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000595615020 1040205899 /nfs/dbraw/zinc/20/58/99/1040205899.db2.gz OGXQJHZURGRWFK-CYBMUJFWSA-N 1 1 312.335 3.753 20 30 DHEDMO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611827 1040206521 /nfs/dbraw/zinc/20/65/21/1040206521.db2.gz NSFAGFMKTPEHKI-HOTGVXAUSA-N 1 1 321.424 3.792 20 30 DHEDMO C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611827 1040206532 /nfs/dbraw/zinc/20/65/32/1040206532.db2.gz NSFAGFMKTPEHKI-HOTGVXAUSA-N 1 1 321.424 3.792 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000595614876 1040207698 /nfs/dbraw/zinc/20/76/98/1040207698.db2.gz IZEOSIICJXERSE-NSHDSACASA-N 1 1 323.318 3.972 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000595614876 1040207710 /nfs/dbraw/zinc/20/77/10/1040207710.db2.gz IZEOSIICJXERSE-NSHDSACASA-N 1 1 323.318 3.972 20 30 DHEDMO N#C[C@H]1CC[C@H]([NH+]2CCN(c3ccc(Cl)cc3Cl)CC2)C1 ZINC000595658961 1040217784 /nfs/dbraw/zinc/21/77/84/1040217784.db2.gz LCMVKQYIAVLFJT-JSGCOSHPSA-N 1 1 324.255 3.808 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)(C)C ZINC000595764847 1040235671 /nfs/dbraw/zinc/23/56/71/1040235671.db2.gz FBAOMSWJBIGMHV-UHFFFAOYSA-N 1 1 319.405 3.518 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000595829416 1040265738 /nfs/dbraw/zinc/26/57/38/1040265738.db2.gz HRLARNOFPQCXBF-UXHICEINSA-N 1 1 318.420 3.694 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000595907073 1040273733 /nfs/dbraw/zinc/27/37/33/1040273733.db2.gz FPTCBIBUSFKNQG-UHFFFAOYSA-N 1 1 304.393 3.688 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595922174 1040282319 /nfs/dbraw/zinc/28/23/19/1040282319.db2.gz YYEYOVYFMFYBGX-UONOGXRCSA-N 1 1 322.474 3.854 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595922175 1040284040 /nfs/dbraw/zinc/28/40/40/1040284040.db2.gz YYEYOVYFMFYBGX-ZIAGYGMSSA-N 1 1 322.474 3.854 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@@](C)(C(F)F)O1 ZINC000595918959 1040284637 /nfs/dbraw/zinc/28/46/37/1040284637.db2.gz PGLIYMACBFWTOY-UGSOOPFHSA-N 1 1 322.399 3.732 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@](C)(C(F)F)O1 ZINC000595918959 1040284646 /nfs/dbraw/zinc/28/46/46/1040284646.db2.gz PGLIYMACBFWTOY-UGSOOPFHSA-N 1 1 322.399 3.732 20 30 DHEDMO COc1ccc(C[N@@H+](CCOc2ccccc2C#N)C2CC2)cc1 ZINC000059931368 1040290662 /nfs/dbraw/zinc/29/06/62/1040290662.db2.gz ZHNMCQOEHUCZAN-UHFFFAOYSA-N 1 1 322.408 3.610 20 30 DHEDMO CCCCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173528068 1040326311 /nfs/dbraw/zinc/32/63/11/1040326311.db2.gz OOPJQLLWSMXPJK-IAGOWNOFSA-N 1 1 311.514 3.861 20 30 DHEDMO N#Cc1cc(F)c(NC[C@H](c2ccco2)[NH+]2CCCC2)c(F)c1 ZINC000063507996 1040339415 /nfs/dbraw/zinc/33/94/15/1040339415.db2.gz XYBMGVCABHQKPY-OAHLLOKOSA-N 1 1 317.339 3.678 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)cc1 ZINC000596597433 1040508991 /nfs/dbraw/zinc/50/89/91/1040508991.db2.gz RXHQILOSHCOHQW-UHFFFAOYSA-N 1 1 322.456 3.795 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000596976855 1040614017 /nfs/dbraw/zinc/61/40/17/1040614017.db2.gz BEKCGPHMJCBCFV-UHFFFAOYSA-N 1 1 306.409 3.882 20 30 DHEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccc2c(c1)OCO2 ZINC000596980904 1040614089 /nfs/dbraw/zinc/61/40/89/1040614089.db2.gz WTEVBRHKVMLDOG-UHFFFAOYSA-N 1 1 320.392 3.602 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ncc(C#N)cc1Cl ZINC000608885968 1040643793 /nfs/dbraw/zinc/64/37/93/1040643793.db2.gz ICYCKRLBRQLIDL-CYBMUJFWSA-N 1 1 306.841 3.673 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC1CCCC1 ZINC000064020712 1040647638 /nfs/dbraw/zinc/64/76/38/1040647638.db2.gz DOQACXQDHQNGRW-UHFFFAOYSA-N 1 1 319.836 3.662 20 30 DHEDMO CC(C)c1ncc(C[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000597129670 1040659398 /nfs/dbraw/zinc/65/93/98/1040659398.db2.gz GENAZJZGXPYMCI-UHFFFAOYSA-N 1 1 320.440 3.787 20 30 DHEDMO CC(C)c1ncc(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000597129670 1040659406 /nfs/dbraw/zinc/65/94/06/1040659406.db2.gz GENAZJZGXPYMCI-UHFFFAOYSA-N 1 1 320.440 3.787 20 30 DHEDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C12CCC2 ZINC000597151487 1040668071 /nfs/dbraw/zinc/66/80/71/1040668071.db2.gz NBDRHUPOPSVFOC-ZWKOTPCHSA-N 1 1 310.441 3.631 20 30 DHEDMO CC[N@H+](Cc1occc1C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477346 1040671971 /nfs/dbraw/zinc/67/19/71/1040671971.db2.gz BPZUYSVGDBGRAL-CYBMUJFWSA-N 1 1 312.369 3.521 20 30 DHEDMO CC[N@@H+](Cc1occc1C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000060477346 1040671986 /nfs/dbraw/zinc/67/19/86/1040671986.db2.gz BPZUYSVGDBGRAL-CYBMUJFWSA-N 1 1 312.369 3.521 20 30 DHEDMO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597175816 1040674976 /nfs/dbraw/zinc/67/49/76/1040674976.db2.gz FBHQDHJKAMOHGM-INIZCTEOSA-N 1 1 321.424 3.883 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000597173334 1040675160 /nfs/dbraw/zinc/67/51/60/1040675160.db2.gz IXBSIQJGRCVGNS-QGZVFWFLSA-N 1 1 321.424 3.786 20 30 DHEDMO CC(C)c1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1[N+](=O)[O-] ZINC000597175381 1040675429 /nfs/dbraw/zinc/67/54/29/1040675429.db2.gz YOUMKNSJURGOOA-CQSZACIVSA-N 1 1 301.390 3.844 20 30 DHEDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1[N+](=O)[O-] ZINC000597175381 1040675434 /nfs/dbraw/zinc/67/54/34/1040675434.db2.gz YOUMKNSJURGOOA-CQSZACIVSA-N 1 1 301.390 3.844 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(SC)cc1OC ZINC000597173600 1040675557 /nfs/dbraw/zinc/67/55/57/1040675557.db2.gz KUEOCBHEFLSILV-ZDUSSCGKSA-N 1 1 320.458 3.551 20 30 DHEDMO CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1OC ZINC000597174734 1040675726 /nfs/dbraw/zinc/67/57/26/1040675726.db2.gz UJIILUGMILJHKW-ZDUSSCGKSA-N 1 1 322.836 3.873 20 30 DHEDMO CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1OC ZINC000597174734 1040675729 /nfs/dbraw/zinc/67/57/29/1040675729.db2.gz UJIILUGMILJHKW-ZDUSSCGKSA-N 1 1 322.836 3.873 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1OCC(C)C ZINC000597175293 1040676225 /nfs/dbraw/zinc/67/62/25/1040676225.db2.gz XZYZPOCDUCNOIL-INIZCTEOSA-N 1 1 316.445 3.856 20 30 DHEDMO Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597177590 1040677927 /nfs/dbraw/zinc/67/79/27/1040677927.db2.gz PXGVPLXGROQIKH-ZDUSSCGKSA-N 1 1 314.458 3.707 20 30 DHEDMO Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597177590 1040677936 /nfs/dbraw/zinc/67/79/36/1040677936.db2.gz PXGVPLXGROQIKH-ZDUSSCGKSA-N 1 1 314.458 3.707 20 30 DHEDMO CCCCOc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1OC ZINC000597175099 1040678788 /nfs/dbraw/zinc/67/87/88/1040678788.db2.gz WKONYYDBQLQQGQ-MRXNPFEDSA-N 1 1 316.445 4.000 20 30 DHEDMO CCOc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc(Cl)c1O ZINC000597177476 1040679035 /nfs/dbraw/zinc/67/90/35/1040679035.db2.gz MVRLDIPZBNMOOG-LBPRGKRZSA-N 1 1 308.809 3.570 20 30 DHEDMO CCOc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc(Cl)c1O ZINC000597177476 1040679040 /nfs/dbraw/zinc/67/90/40/1040679040.db2.gz MVRLDIPZBNMOOG-LBPRGKRZSA-N 1 1 308.809 3.570 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000534128924 1040724550 /nfs/dbraw/zinc/72/45/50/1040724550.db2.gz UOHMBFWSYXCHHN-OAQYLSRUSA-N 1 1 318.420 3.836 20 30 DHEDMO C=CCOc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)cc1 ZINC000534345202 1040813632 /nfs/dbraw/zinc/81/36/32/1040813632.db2.gz IQHOGBDOGZSXSR-QGZVFWFLSA-N 1 1 311.425 3.634 20 30 DHEDMO CC(C)[C@@H](O)[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000602028837 1040859103 /nfs/dbraw/zinc/85/91/03/1040859103.db2.gz QOUMBMJFICHDRQ-RTBURBONSA-N 1 1 312.388 3.545 20 30 DHEDMO C=C[C@@H](CC(=O)N1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000457012672 1040985296 /nfs/dbraw/zinc/98/52/96/1040985296.db2.gz GZGAIJDNWIMHCS-FXAWDEMLSA-N 1 1 320.436 3.519 20 30 DHEDMO C[C@H](CCC#N)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000602451821 1041027986 /nfs/dbraw/zinc/02/79/86/1041027986.db2.gz AGNGCERPXYMLSE-QAPCUYQASA-N 1 1 304.409 3.747 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)n1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000602452356 1041028185 /nfs/dbraw/zinc/02/81/85/1041028185.db2.gz HWAHZFBARBIBDS-PXNSSMCTSA-N 1 1 321.424 3.553 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1cnc(C)nc1C ZINC000602452712 1041028913 /nfs/dbraw/zinc/02/89/13/1041028913.db2.gz FWSDDCKFPKXPAR-HNNXBMFYSA-N 1 1 306.413 3.714 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)c1cnc(C)nc1C ZINC000602452712 1041028923 /nfs/dbraw/zinc/02/89/23/1041028923.db2.gz FWSDDCKFPKXPAR-HNNXBMFYSA-N 1 1 306.413 3.714 20 30 DHEDMO Cc1ncc([C@H](C)[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)n1 ZINC000602440164 1041033452 /nfs/dbraw/zinc/03/34/52/1041033452.db2.gz JWZBFSJXKSHHJN-AWEZNQCLSA-N 1 1 306.413 3.691 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000602475341 1041039117 /nfs/dbraw/zinc/03/91/17/1041039117.db2.gz UKAVDHAVRDXJNY-VIFPVBQESA-N 1 1 302.262 3.743 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000602474832 1041039916 /nfs/dbraw/zinc/03/99/16/1041039916.db2.gz NZVVLKZRAJBQSP-QWFCFKBJSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@H]1SCC[N@H+](Cc2cccc(C#N)n2)[C@H]1c1ccccc1 ZINC000602471034 1041045381 /nfs/dbraw/zinc/04/53/81/1041045381.db2.gz BUHYJASUIBRFPI-RDTXWAMCSA-N 1 1 309.438 3.632 20 30 DHEDMO C[C@H]1SCC[N@@H+](Cc2cccc(C#N)n2)[C@H]1c1ccccc1 ZINC000602471034 1041045402 /nfs/dbraw/zinc/04/54/02/1041045402.db2.gz BUHYJASUIBRFPI-RDTXWAMCSA-N 1 1 309.438 3.632 20 30 DHEDMO CC[N@@H+](C[C@@H](C)CCC#N)CC1CCN(c2ccccn2)CC1 ZINC000602478797 1041050906 /nfs/dbraw/zinc/05/09/06/1041050906.db2.gz UZQQPNJFCWAFFX-KRWDZBQOSA-N 1 1 314.477 3.560 20 30 DHEDMO CC1(C)CC(N=Nc2ccc(F)cn2)C[N@H+]1Cc1ccccc1 ZINC000761259281 1041051030 /nfs/dbraw/zinc/05/10/30/1041051030.db2.gz QVIFQYBHLNCJLF-UHFFFAOYSA-N 1 1 312.392 3.673 20 30 DHEDMO Cc1ncc([C@H](C)[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C)n1 ZINC000602483573 1041053885 /nfs/dbraw/zinc/05/38/85/1041053885.db2.gz MUEAIKZASDATHF-QSFXBCCZSA-N 1 1 320.440 3.926 20 30 DHEDMO Cc1ncc([C@H](C)[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C)n1 ZINC000602483573 1041053902 /nfs/dbraw/zinc/05/39/02/1041053902.db2.gz MUEAIKZASDATHF-QSFXBCCZSA-N 1 1 320.440 3.926 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000442689941 1041054642 /nfs/dbraw/zinc/05/46/42/1041054642.db2.gz IIQGRJDXRJFOBR-CYBMUJFWSA-N 1 1 307.353 3.586 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000442689941 1041054655 /nfs/dbraw/zinc/05/46/55/1041054655.db2.gz IIQGRJDXRJFOBR-CYBMUJFWSA-N 1 1 307.353 3.586 20 30 DHEDMO C=CCOc1ccc(CNCC2([NH+](C)C)CCCCC2)cc1 ZINC000060829537 1041123942 /nfs/dbraw/zinc/12/39/42/1041123942.db2.gz BIYNZTPPVDUGDG-UHFFFAOYSA-N 1 1 302.462 3.606 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000602611527 1041124563 /nfs/dbraw/zinc/12/45/63/1041124563.db2.gz FDRSMESYKALWDB-ZTFGCOKTSA-N 1 1 304.409 3.917 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1ccc(F)cc1Br ZINC000602633560 1041137958 /nfs/dbraw/zinc/13/79/58/1041137958.db2.gz YQSVDNBYXZGJIQ-NSHDSACASA-N 1 1 313.214 3.960 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000602660271 1041145368 /nfs/dbraw/zinc/14/53/68/1041145368.db2.gz BHPYMBDACJGGEI-ICSRJNTNSA-N 1 1 311.473 3.524 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000602660271 1041145374 /nfs/dbraw/zinc/14/53/74/1041145374.db2.gz BHPYMBDACJGGEI-ICSRJNTNSA-N 1 1 311.473 3.524 20 30 DHEDMO COC(=O)c1csc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000602691952 1041154373 /nfs/dbraw/zinc/15/43/73/1041154373.db2.gz JDPGJMSOTMMNIR-LBPRGKRZSA-N 1 1 314.410 3.599 20 30 DHEDMO COC(=O)c1csc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000602691952 1041154379 /nfs/dbraw/zinc/15/43/79/1041154379.db2.gz JDPGJMSOTMMNIR-LBPRGKRZSA-N 1 1 314.410 3.599 20 30 DHEDMO COc1ccc2c(c1)OC(C)(C)C[N@H+](C[C@H](C)CCC#N)C2 ZINC000602700720 1041165570 /nfs/dbraw/zinc/16/55/70/1041165570.db2.gz WRXIOZVLQYSYHG-CQSZACIVSA-N 1 1 302.418 3.608 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)n1 ZINC000602701533 1041167901 /nfs/dbraw/zinc/16/79/01/1041167901.db2.gz CKSLIUYIVNRKKX-LJQANCHMSA-N 1 1 301.393 3.847 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)n1 ZINC000602701533 1041167911 /nfs/dbraw/zinc/16/79/11/1041167911.db2.gz CKSLIUYIVNRKKX-LJQANCHMSA-N 1 1 301.393 3.847 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)ccc1C#N ZINC000602732236 1041185287 /nfs/dbraw/zinc/18/52/87/1041185287.db2.gz QXIDRZLUFXBNQM-WOJBJXKFSA-N 1 1 306.409 3.565 20 30 DHEDMO COc1ccc(Br)cc1C[N@H+](C)CC1(CC#N)CC1 ZINC000602759785 1041192821 /nfs/dbraw/zinc/19/28/21/1041192821.db2.gz LFGAUQBIJPVHEF-UHFFFAOYSA-N 1 1 323.234 3.583 20 30 DHEDMO COc1ccc(Br)cc1C[N@@H+](C)CC1(CC#N)CC1 ZINC000602759785 1041192826 /nfs/dbraw/zinc/19/28/26/1041192826.db2.gz LFGAUQBIJPVHEF-UHFFFAOYSA-N 1 1 323.234 3.583 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2c1CCOC2 ZINC000602766751 1041210262 /nfs/dbraw/zinc/21/02/62/1041210262.db2.gz BELSYUTVECWGNK-UHFFFAOYSA-N 1 1 318.420 3.819 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1c(C)cc(C)nc1C ZINC000602766931 1041213406 /nfs/dbraw/zinc/21/34/06/1041213406.db2.gz UDVMJKMQZAVYKF-UHFFFAOYSA-N 1 1 323.440 3.527 20 30 DHEDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@@H]1c1ccco1 ZINC000602927066 1041305770 /nfs/dbraw/zinc/30/57/70/1041305770.db2.gz RIXRLSNOIUIUCM-GOSISDBHSA-N 1 1 323.396 3.563 20 30 DHEDMO N#CCC1(C[N@H+](Cc2ccccc2)[C@H](CO)c2ccccc2)CC1 ZINC000602918210 1041317175 /nfs/dbraw/zinc/31/71/75/1041317175.db2.gz MUUTUKVBYZGIHB-HXUWFJFHSA-N 1 1 320.436 3.916 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000598586205 1041348915 /nfs/dbraw/zinc/34/89/15/1041348915.db2.gz QGABJMOVEINLAD-CJNGLKHVSA-N 1 1 306.837 3.778 20 30 DHEDMO Cc1cccc(C[N@@H+](CC(C)C)C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598590514 1041350565 /nfs/dbraw/zinc/35/05/65/1041350565.db2.gz NIQQETLSBKTJLL-SFHVURJKSA-N 1 1 302.462 3.754 20 30 DHEDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598594757 1041353522 /nfs/dbraw/zinc/35/35/22/1041353522.db2.gz JCJPNHPXXNQIJG-KBMXLJTQSA-N 1 1 304.434 3.662 20 30 DHEDMO Cc1ccc(C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C2CC2)cc1C ZINC000598593344 1041354720 /nfs/dbraw/zinc/35/47/20/1041354720.db2.gz STPQGMDXGXURDC-SFHVURJKSA-N 1 1 300.446 3.569 20 30 DHEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598595388 1041356313 /nfs/dbraw/zinc/35/63/13/1041356313.db2.gz NNEJRHLYPWHJPZ-ZWKOTPCHSA-N 1 1 320.452 3.625 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598616457 1041362125 /nfs/dbraw/zinc/36/21/25/1041362125.db2.gz AYKVVMOAGOEOLD-FZCLSBEQSA-N 1 1 300.446 3.554 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000598616576 1041362319 /nfs/dbraw/zinc/36/23/19/1041362319.db2.gz MDNYVFRYAGYOAF-MRXNPFEDSA-N 1 1 320.864 3.853 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000598616217 1041362454 /nfs/dbraw/zinc/36/24/54/1041362454.db2.gz KPCACJJOIJTURO-OKYOBFRVSA-N 1 1 312.457 3.555 20 30 DHEDMO C[C@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCc2ccc(Cl)cc21 ZINC000598621996 1041365039 /nfs/dbraw/zinc/36/50/39/1041365039.db2.gz DRVNNYIFLVYNKT-BBRMVZONSA-N 1 1 320.864 3.602 20 30 DHEDMO C[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCc2ccc(Cl)cc21 ZINC000598622001 1041365061 /nfs/dbraw/zinc/36/50/61/1041365061.db2.gz DRVNNYIFLVYNKT-CJNGLKHVSA-N 1 1 320.864 3.602 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000598622953 1041365264 /nfs/dbraw/zinc/36/52/64/1041365264.db2.gz PMDLMBQXDIJULN-SJORKVTESA-N 1 1 318.436 3.523 20 30 DHEDMO C=CCC[C@H]([NH2+]Cc1csc(NC(C)=O)n1)c1ccccc1 ZINC000180039691 334942912 /nfs/dbraw/zinc/94/29/12/334942912.db2.gz AJPNYKYQXZFMFV-INIZCTEOSA-N 1 1 315.442 3.899 20 30 DHEDMO COc1cc(F)c([C@H](C)[NH2+]CC#Cc2ccccc2)cc1OC ZINC000192157225 335026621 /nfs/dbraw/zinc/02/66/21/335026621.db2.gz DOCFALJNNFJGQP-AWEZNQCLSA-N 1 1 313.372 3.545 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)s1 ZINC000563821289 335029401 /nfs/dbraw/zinc/02/94/01/335029401.db2.gz QGVZLCLWBRPXOE-ZACQAIPSSA-N 1 1 304.459 3.525 20 30 DHEDMO C=CCC1(c2nc(-c3ccc(-n4cc[nH+]c4C)nc3)no2)CCC1 ZINC000289005787 335059376 /nfs/dbraw/zinc/05/93/76/335059376.db2.gz UJHAVJOVAQZVQV-UHFFFAOYSA-N 1 1 321.384 3.624 20 30 DHEDMO C[C@@H](Nc1ccc(Cl)c(C#N)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273028544 130084401 /nfs/dbraw/zinc/08/44/01/130084401.db2.gz USNCIVXSPSGPMP-OLZOCXBDSA-N 1 1 318.852 3.672 20 30 DHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000340189920 131067679 /nfs/dbraw/zinc/06/76/79/131067679.db2.gz CVLFJODMNPHILW-CQSZACIVSA-N 1 1 311.429 3.563 20 30 DHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000340189920 131067681 /nfs/dbraw/zinc/06/76/81/131067681.db2.gz CVLFJODMNPHILW-CQSZACIVSA-N 1 1 311.429 3.563 20 30 DHEDMO COc1ccc([C@H](C[NH+](C)C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000284363323 131074346 /nfs/dbraw/zinc/07/43/46/131074346.db2.gz NFFQAUSENFKIET-YWZLYKJASA-N 1 1 323.440 3.520 20 30 DHEDMO CC[N@H+](Cc1cnc([C@H](C)O)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000289198101 131365043 /nfs/dbraw/zinc/36/50/43/131365043.db2.gz VDJYLBHRSMJEEL-OLZOCXBDSA-N 1 1 315.442 3.651 20 30 DHEDMO CC[N@@H+](Cc1cnc([C@H](C)O)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000289198101 131365044 /nfs/dbraw/zinc/36/50/44/131365044.db2.gz VDJYLBHRSMJEEL-OLZOCXBDSA-N 1 1 315.442 3.651 20 30 DHEDMO Cc1c(C#N)c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)nc2ccccc12 ZINC000297214545 132004537 /nfs/dbraw/zinc/00/45/37/132004537.db2.gz SHYYOSOFHNTBFM-AWEZNQCLSA-N 1 1 317.396 3.522 20 30 DHEDMO C[C@@H](Nc1cc[nH+]cc1Br)c1ccc(C#N)cc1 ZINC000163900728 132125250 /nfs/dbraw/zinc/12/52/50/132125250.db2.gz GHZRZRGLRSJOQZ-SNVBAGLBSA-N 1 1 302.175 3.889 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1F ZINC000340749122 132177234 /nfs/dbraw/zinc/17/72/34/132177234.db2.gz ZSZQFRYKNMQCTD-UHFFFAOYSA-N 1 1 308.356 3.692 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c1F ZINC000340749122 132177235 /nfs/dbraw/zinc/17/72/35/132177235.db2.gz ZSZQFRYKNMQCTD-UHFFFAOYSA-N 1 1 308.356 3.692 20 30 DHEDMO COc1ccc2[nH]cc(C3=CC[N@H+](CC4(C#N)CC4)CC3)c2c1 ZINC000343323704 335085144 /nfs/dbraw/zinc/08/51/44/335085144.db2.gz VMABAXBHRPENJN-UHFFFAOYSA-N 1 1 307.397 3.569 20 30 DHEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](CC4(C#N)CC4)CC3)c2c1 ZINC000343323704 335085145 /nfs/dbraw/zinc/08/51/45/335085145.db2.gz VMABAXBHRPENJN-UHFFFAOYSA-N 1 1 307.397 3.569 20 30 DHEDMO C=CC[N@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000154791184 338252736 /nfs/dbraw/zinc/25/27/36/338252736.db2.gz HTSQCHFIVYVEAA-UHFFFAOYSA-N 1 1 306.150 3.668 20 30 DHEDMO Cc1ccc(C#N)c(NC[C@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC000179749207 331535873 /nfs/dbraw/zinc/53/58/73/331535873.db2.gz GAFRLLBXVKNWGD-MRXNPFEDSA-N 1 1 314.820 3.630 20 30 DHEDMO CCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)CC(C)C ZINC000426362973 332083868 /nfs/dbraw/zinc/08/38/68/332083868.db2.gz DHRUXOBDYXQJMZ-UHFFFAOYSA-N 1 1 307.463 3.543 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2c2cccc3ccccc32)C1=O ZINC000410343903 332113571 /nfs/dbraw/zinc/11/35/71/332113571.db2.gz TXUPGODXCNVJAJ-WOJBJXKFSA-N 1 1 320.436 3.764 20 30 DHEDMO CCCCOc1cc(C[N@H+](CC)C[C@@H](C)C#N)ccc1OC ZINC000091983152 332116644 /nfs/dbraw/zinc/11/66/44/332116644.db2.gz BJXDRVMJIORREK-HNNXBMFYSA-N 1 1 304.434 3.856 20 30 DHEDMO CCCCOc1cc(C[N@@H+](CC)C[C@@H](C)C#N)ccc1OC ZINC000091983152 332116646 /nfs/dbraw/zinc/11/66/46/332116646.db2.gz BJXDRVMJIORREK-HNNXBMFYSA-N 1 1 304.434 3.856 20 30 DHEDMO CCCOc1ccc(C[N@H+](CC)C[C@@H](C)C#N)cc1OCC ZINC000091983404 332116728 /nfs/dbraw/zinc/11/67/28/332116728.db2.gz DCPPRDQSMWOMLI-HNNXBMFYSA-N 1 1 304.434 3.856 20 30 DHEDMO CCCOc1ccc(C[N@@H+](CC)C[C@@H](C)C#N)cc1OCC ZINC000091983404 332116729 /nfs/dbraw/zinc/11/67/29/332116729.db2.gz DCPPRDQSMWOMLI-HNNXBMFYSA-N 1 1 304.434 3.856 20 30 DHEDMO C[N@@H+](CCC1CC1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000092067068 332118603 /nfs/dbraw/zinc/11/86/03/332118603.db2.gz PDXNQKHMENCGCJ-UHFFFAOYSA-N 1 1 308.429 3.696 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+]2CCCCC[C@@H]2c2ccc(CC)o2)C1=O ZINC000410381664 332121240 /nfs/dbraw/zinc/12/12/40/332121240.db2.gz XVALWSQLFHNFSV-IAGOWNOFSA-N 1 1 316.445 3.546 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000016338890 332130235 /nfs/dbraw/zinc/13/02/35/332130235.db2.gz VIJBPTKYPPSZQU-MRXNPFEDSA-N 1 1 310.441 3.915 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc(N(C)CCC#N)cc1 ZINC000093100894 332134332 /nfs/dbraw/zinc/13/43/32/332134332.db2.gz NUASGYJDTKUNQC-UHFFFAOYSA-N 1 1 312.461 3.798 20 30 DHEDMO C=CC[C@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1CC)c1ccccc1 ZINC000426840738 332156782 /nfs/dbraw/zinc/15/67/82/332156782.db2.gz RDCJOQMIGJUBRT-OALUTQOASA-N 1 1 314.473 3.727 20 30 DHEDMO C[C@H]1C[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000317753309 332170924 /nfs/dbraw/zinc/17/09/24/332170924.db2.gz ORCADJZRBFAAMB-GXFFZTMASA-N 1 1 309.335 3.614 20 30 DHEDMO N#CC1(C[NH2+]C2(c3cccc(Br)c3)CCC2)CC1 ZINC000343327882 335095200 /nfs/dbraw/zinc/09/52/00/335095200.db2.gz WIZRIEVKQXIXJT-UHFFFAOYSA-N 1 1 305.219 3.722 20 30 DHEDMO CC(C)c1nc(C2CC[NH+](Cc3cc(C#N)cs3)CC2)no1 ZINC000353123130 332224410 /nfs/dbraw/zinc/22/44/10/332224410.db2.gz WOEPNLWLDLQWOI-UHFFFAOYSA-N 1 1 316.430 3.506 20 30 DHEDMO N#CCCCC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000102846475 332230500 /nfs/dbraw/zinc/23/05/00/332230500.db2.gz WKLWYSYRHWDDAA-INIZCTEOSA-N 1 1 310.401 3.957 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000536486388 332252078 /nfs/dbraw/zinc/25/20/78/332252078.db2.gz WJCUULCDODSVGI-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000536486388 332252081 /nfs/dbraw/zinc/25/20/81/332252081.db2.gz WJCUULCDODSVGI-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO CC1(C)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]2CCC[C@H]21 ZINC000559427738 332258013 /nfs/dbraw/zinc/25/80/13/332258013.db2.gz VSEBLBDJSSZGIB-HZPDHXFCSA-N 1 1 322.412 3.619 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cnc3ccsc3c2)CC1 ZINC000153023136 332338605 /nfs/dbraw/zinc/33/86/05/332338605.db2.gz LENOBYGWMCEZMG-AWEZNQCLSA-N 1 1 315.486 3.987 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153017944 332339261 /nfs/dbraw/zinc/33/92/61/332339261.db2.gz UIOFNCNKHUXTSI-SFHVURJKSA-N 1 1 317.433 3.676 20 30 DHEDMO C[C@@H](CC#N)[N@H+](C)Cc1cc(Br)cc2cccnc21 ZINC000119386050 332370939 /nfs/dbraw/zinc/37/09/39/332370939.db2.gz UWLKMLRJLBJNRQ-NSHDSACASA-N 1 1 318.218 3.731 20 30 DHEDMO C[C@@H](CC#N)[N@@H+](C)Cc1cc(Br)cc2cccnc21 ZINC000119386050 332370940 /nfs/dbraw/zinc/37/09/40/332370940.db2.gz UWLKMLRJLBJNRQ-NSHDSACASA-N 1 1 318.218 3.731 20 30 DHEDMO CCOc1cc(C[N@@H+](C)CCCCC#N)ccc1OC(F)F ZINC000120079848 332382608 /nfs/dbraw/zinc/38/26/08/332382608.db2.gz QDXPULZKKKJBIU-UHFFFAOYSA-N 1 1 312.360 3.812 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccccc1C(=O)N(C)C ZINC000417753398 335107985 /nfs/dbraw/zinc/10/79/85/335107985.db2.gz JFEOESLACWXLDL-UHFFFAOYSA-N 1 1 322.452 3.619 20 30 DHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2(C#N)CCC2)c1 ZINC000120660701 332388437 /nfs/dbraw/zinc/38/84/37/332388437.db2.gz ARMWASWCIGIHTM-UHFFFAOYSA-N 1 1 322.412 3.687 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)nc1 ZINC000569936655 332694417 /nfs/dbraw/zinc/69/44/17/332694417.db2.gz BRIZEIXBUTZIDP-HNNXBMFYSA-N 1 1 305.303 3.737 20 30 DHEDMO Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(NCCCCC#N)c12 ZINC000171609880 333051504 /nfs/dbraw/zinc/05/15/04/333051504.db2.gz DIXUEHKGNAZZAR-UHFFFAOYSA-N 1 1 323.400 3.795 20 30 DHEDMO CC(C)c1ccccc1NC(=O)[C@@H](C)O[NH+]=C(N)C1CCCC1 ZINC000172069579 333058178 /nfs/dbraw/zinc/05/81/78/333058178.db2.gz CJAATMYEGMHVTQ-CYBMUJFWSA-N 1 1 317.433 3.616 20 30 DHEDMO Cc1cccc(CC[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000563044708 333166199 /nfs/dbraw/zinc/16/61/99/333166199.db2.gz LOSUMABODJXMFO-UHFFFAOYSA-N 1 1 307.441 3.962 20 30 DHEDMO COC(=O)c1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)oc1C ZINC000181938284 333173705 /nfs/dbraw/zinc/17/37/05/333173705.db2.gz BBYYCQWQFQXFOX-KRWDZBQOSA-N 1 1 312.369 3.509 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000364079122 333234726 /nfs/dbraw/zinc/23/47/26/333234726.db2.gz JXFZHNPRQUNMOC-HZPDHXFCSA-N 1 1 303.450 3.772 20 30 DHEDMO C=CCOc1ccccc1CNCC[N@@H+]1CCCC[C@@H]1CC ZINC000500885526 333257695 /nfs/dbraw/zinc/25/76/95/333257695.db2.gz DLUPMJAYEGMVOQ-SFHVURJKSA-N 1 1 302.462 3.606 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]CCN1CCCC[C@@H]1CC ZINC000500885526 333257697 /nfs/dbraw/zinc/25/76/97/333257697.db2.gz DLUPMJAYEGMVOQ-SFHVURJKSA-N 1 1 302.462 3.606 20 30 DHEDMO C[N@@H+](CCCCC#N)CCOc1ccc(C(F)(F)F)cc1 ZINC000190374661 333270471 /nfs/dbraw/zinc/27/04/71/333270471.db2.gz ZKPZQVKAKGXGDC-UHFFFAOYSA-N 1 1 300.324 3.710 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(C#N)nc1 ZINC000390838054 333398349 /nfs/dbraw/zinc/39/83/49/333398349.db2.gz BAORNAWOCPTNBJ-IBGZPJMESA-N 1 1 320.440 3.666 20 30 DHEDMO COc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1OCC(C)C ZINC000354036770 333399319 /nfs/dbraw/zinc/39/93/19/333399319.db2.gz HMZRPYQYSOGMRI-UHFFFAOYSA-N 1 1 304.434 3.712 20 30 DHEDMO COc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1OCC(C)C ZINC000354036770 333399320 /nfs/dbraw/zinc/39/93/20/333399320.db2.gz HMZRPYQYSOGMRI-UHFFFAOYSA-N 1 1 304.434 3.712 20 30 DHEDMO Cc1cccnc1[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)C ZINC000563215035 333475189 /nfs/dbraw/zinc/47/51/89/333475189.db2.gz HLWGEZIETIGFJY-KRWDZBQOSA-N 1 1 324.384 3.657 20 30 DHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N1CCCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000411551951 333692963 /nfs/dbraw/zinc/69/29/63/333692963.db2.gz FXDXUXRCMKMZHP-SCLBCKFNSA-N 1 1 322.399 3.573 20 30 DHEDMO C=C(C)C[N@@H+](CC)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000186261571 335157120 /nfs/dbraw/zinc/15/71/20/335157120.db2.gz FGEXYTJNIUWGJD-UHFFFAOYSA-N 1 1 304.825 3.534 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000186261571 335157121 /nfs/dbraw/zinc/15/71/21/335157121.db2.gz FGEXYTJNIUWGJD-UHFFFAOYSA-N 1 1 304.825 3.534 20 30 DHEDMO CC(C)(C#N)CC[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000571532084 333814360 /nfs/dbraw/zinc/81/43/60/333814360.db2.gz TWKRLBPPQVFOPC-GFCCVEGCSA-N 1 1 301.217 3.556 20 30 DHEDMO COC(=O)CCC[N@@H+](Cc1ccccc1)CC(C)(C)CCC#N ZINC000271414044 334022860 /nfs/dbraw/zinc/02/28/60/334022860.db2.gz XYSKMCMVEQDUFJ-UHFFFAOYSA-N 1 1 316.445 3.772 20 30 DHEDMO Cc1cc(C2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)n[nH]1 ZINC000271591809 334024521 /nfs/dbraw/zinc/02/45/21/334024521.db2.gz GPBUINSONNULMM-UHFFFAOYSA-N 1 1 322.456 3.899 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(OCC#N)c1 ZINC000272654572 334038653 /nfs/dbraw/zinc/03/86/53/334038653.db2.gz NMJSYTQFIYELLC-UZLBHIALSA-N 1 1 321.424 3.521 20 30 DHEDMO CCOc1cc(C[N@@H+](C)[C@H](C)CCC#N)ccc1OC(F)F ZINC000276314685 334075614 /nfs/dbraw/zinc/07/56/14/334075614.db2.gz NDCWSQRZBJDARS-GFCCVEGCSA-N 1 1 312.360 3.811 20 30 DHEDMO C[C@H](CCO)[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000277619199 334089594 /nfs/dbraw/zinc/08/95/94/334089594.db2.gz GESWHEOJAOHQDS-QGZVFWFLSA-N 1 1 302.462 3.980 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](CC)CC(C)C ZINC000343605514 335176624 /nfs/dbraw/zinc/17/66/24/335176624.db2.gz VZEUOSLCGRRHCK-OAHLLOKOSA-N 1 1 308.491 3.629 20 30 DHEDMO C[C@H]1c2ccsc2CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000281959880 334129993 /nfs/dbraw/zinc/12/99/93/334129993.db2.gz KIANNYUSVIILID-AWEZNQCLSA-N 1 1 304.459 3.768 20 30 DHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1cc2ccccc2o1 ZINC000282037300 334130742 /nfs/dbraw/zinc/13/07/42/334130742.db2.gz QOAJCIGRYPRWIZ-UHFFFAOYSA-N 1 1 312.413 3.965 20 30 DHEDMO CCc1ccc(-c2noc([C@H](C)[NH2+][C@H]3CC[C@H](C#N)C3)n2)cc1 ZINC000282133800 334131929 /nfs/dbraw/zinc/13/19/29/334131929.db2.gz BNYPYUZIMRNKEL-NOLJZWGESA-N 1 1 310.401 3.642 20 30 DHEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CC2)ccc1OC1CCCC1 ZINC000343577592 335178824 /nfs/dbraw/zinc/17/88/24/335178824.db2.gz CSMQQLHJBRXTON-CQSZACIVSA-N 1 1 314.429 3.971 20 30 DHEDMO N#CCC[C@H](C#N)C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000287082803 334156277 /nfs/dbraw/zinc/15/62/77/334156277.db2.gz WOPWYRJXQBQKIK-CQSZACIVSA-N 1 1 324.403 3.930 20 30 DHEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000343586339 335179724 /nfs/dbraw/zinc/17/97/24/335179724.db2.gz QJCGYTIXMJJHFV-OAHLLOKOSA-N 1 1 319.408 3.893 20 30 DHEDMO CN(C)CC[N@@H+](Cc1ccc(F)c(F)c1)CC(C)(C)CCC#N ZINC000289437713 334165357 /nfs/dbraw/zinc/16/53/57/334165357.db2.gz LNTICDQOZURIHY-UHFFFAOYSA-N 1 1 323.431 3.658 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289578476 334166649 /nfs/dbraw/zinc/16/66/49/334166649.db2.gz WICSMTJADLQYSA-GOSISDBHSA-N 1 1 311.473 3.843 20 30 DHEDMO Cn1ccnc1[C@@H]1CCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000366693221 334190810 /nfs/dbraw/zinc/19/08/10/334190810.db2.gz FNCANWZTPBEEPW-KRWDZBQOSA-N 1 1 308.429 3.558 20 30 DHEDMO Cn1ccnc1[C@@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000366693221 334190812 /nfs/dbraw/zinc/19/08/12/334190812.db2.gz FNCANWZTPBEEPW-KRWDZBQOSA-N 1 1 308.429 3.558 20 30 DHEDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H]1CC[C@@H](C#N)C1 ZINC000292705503 334191136 /nfs/dbraw/zinc/19/11/36/334191136.db2.gz DOCJZAJZGPWUMM-BXUZGUMPSA-N 1 1 323.234 3.669 20 30 DHEDMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@@H]4CC[C@@H](C#N)C4)CC3)c2c1 ZINC000292787608 334192399 /nfs/dbraw/zinc/19/23/99/334192399.db2.gz LDNNEYRGTVFDGB-GDBMZVCRSA-N 1 1 321.424 3.958 20 30 DHEDMO Cc1ccc(C[N@H+](CCOCCC#N)Cc2ccco2)s1 ZINC000293636169 334200048 /nfs/dbraw/zinc/20/00/48/334200048.db2.gz XFFCWYLUCBLYMM-UHFFFAOYSA-N 1 1 304.415 3.582 20 30 DHEDMO Cc1ccc(C[N@@H+](CCOCCC#N)Cc2ccco2)s1 ZINC000293636169 334200049 /nfs/dbraw/zinc/20/00/49/334200049.db2.gz XFFCWYLUCBLYMM-UHFFFAOYSA-N 1 1 304.415 3.582 20 30 DHEDMO Cc1cc(Br)c2c(c1)C[N@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000294406897 334209410 /nfs/dbraw/zinc/20/94/10/334209410.db2.gz CTRYGYNLWWFKCF-OCCSQVGLSA-N 1 1 319.246 3.808 20 30 DHEDMO Cc1cc(Br)c2c(c1)C[N@@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000294406897 334209412 /nfs/dbraw/zinc/20/94/12/334209412.db2.gz CTRYGYNLWWFKCF-OCCSQVGLSA-N 1 1 319.246 3.808 20 30 DHEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@H](C)CCC#N ZINC000298046375 334245752 /nfs/dbraw/zinc/24/57/52/334245752.db2.gz HIRZKTJIFGBTCW-OAHLLOKOSA-N 1 1 310.445 3.922 20 30 DHEDMO COc1cc(C[N@@H+](C)[C@@H](C)CCC#N)c(SC)cc1OC ZINC000299315168 334254638 /nfs/dbraw/zinc/25/46/38/334254638.db2.gz OZOAGIDTQINSOG-LBPRGKRZSA-N 1 1 308.447 3.550 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@H](CC(C)C)c2ccccc2)C1=O ZINC000467524433 334266432 /nfs/dbraw/zinc/26/64/32/334266432.db2.gz YVIJBVVAFNHZQL-RBUKOAKNSA-N 1 1 314.473 3.535 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000187717223 334269678 /nfs/dbraw/zinc/26/96/78/334269678.db2.gz KUVIIMAXIKHODZ-OXJNMPFZSA-N 1 1 306.409 3.563 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000187717223 334269679 /nfs/dbraw/zinc/26/96/79/334269679.db2.gz KUVIIMAXIKHODZ-OXJNMPFZSA-N 1 1 306.409 3.563 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000187727890 334269930 /nfs/dbraw/zinc/26/99/30/334269930.db2.gz DKJJYWVGEZELEU-MGPUTAFESA-N 1 1 304.393 3.751 20 30 DHEDMO C=C[C@H](CC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000534679537 334324084 /nfs/dbraw/zinc/32/40/84/334324084.db2.gz DFQSYHBIMOUSHL-FGTMMUONSA-N 1 1 314.473 3.725 20 30 DHEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000121369874 334354065 /nfs/dbraw/zinc/35/40/65/334354065.db2.gz WUMSKEYXRFWMEH-VIFPVBQESA-N 1 1 320.742 3.804 20 30 DHEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000121369874 334354066 /nfs/dbraw/zinc/35/40/66/334354066.db2.gz WUMSKEYXRFWMEH-VIFPVBQESA-N 1 1 320.742 3.804 20 30 DHEDMO C[C@H]1[C@H](Nc2c(C#N)cccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000340813751 334387264 /nfs/dbraw/zinc/38/72/64/334387264.db2.gz DUMULOFHKBSULB-HNAYVOBHSA-N 1 1 316.408 3.505 20 30 DHEDMO N#Cc1cccc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c1F ZINC000340900658 334389539 /nfs/dbraw/zinc/38/95/39/334389539.db2.gz JPGJLTKETIWZBM-LJQANCHMSA-N 1 1 324.399 3.531 20 30 DHEDMO C=CC[C@H](CO)CNc1cc[nH+]c2c(Br)cccc12 ZINC000340890625 334393730 /nfs/dbraw/zinc/39/37/30/334393730.db2.gz HGDVYMXABILVIJ-NSHDSACASA-N 1 1 321.218 3.594 20 30 DHEDMO C=C1CC[NH+](CC(=O)N[C@H](CC(C)C)c2ccccc2)CC1 ZINC000342000086 334499878 /nfs/dbraw/zinc/49/98/78/334499878.db2.gz YQTCZXATOJQXHH-GOSISDBHSA-N 1 1 300.446 3.542 20 30 DHEDMO C=C1CC[NH+]([C@@H](C)C(=O)N[C@H](CCC)c2ccccc2)CC1 ZINC000341986490 334502990 /nfs/dbraw/zinc/50/29/90/334502990.db2.gz VVAJNOXOUNUGRK-FUHWJXTLSA-N 1 1 300.446 3.685 20 30 DHEDMO N#CCCC[NH2+][C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000342720083 334568677 /nfs/dbraw/zinc/56/86/77/334568677.db2.gz HCOFMIFLDRNQRS-IBGZPJMESA-N 1 1 317.392 3.985 20 30 DHEDMO CCc1ccc([C@@H]([NH2+]CCCC#N)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346801211 335437231 /nfs/dbraw/zinc/43/72/31/335437231.db2.gz RSYZTGOEQXSJCC-KRWDZBQOSA-N 1 1 313.357 3.733 20 30 DHEDMO N#Cc1cc(F)ccc1C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000347629866 335511683 /nfs/dbraw/zinc/51/16/83/335511683.db2.gz MKIDUCQXPIPLRP-QGZVFWFLSA-N 1 1 318.779 3.564 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)c(F)c1 ZINC000347668704 335514777 /nfs/dbraw/zinc/51/47/77/335514777.db2.gz RTHVJQUQFFBMEX-QGZVFWFLSA-N 1 1 318.779 3.564 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc2c(c(OC)c1)OCO2 ZINC000351586262 336047275 /nfs/dbraw/zinc/04/72/75/336047275.db2.gz USEOFHYUNXYPFK-UHFFFAOYSA-N 1 1 311.381 3.612 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc2n[nH]c(C)c2c1 ZINC000351606030 336049421 /nfs/dbraw/zinc/04/94/21/336049421.db2.gz AOTDKDYORCIRQV-UHFFFAOYSA-N 1 1 319.412 3.550 20 30 DHEDMO NC(=O)C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC000330166624 336120056 /nfs/dbraw/zinc/12/00/56/336120056.db2.gz YEBBDLXPHGMJKT-CQSZACIVSA-N 1 1 321.465 3.693 20 30 DHEDMO CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c1 ZINC000330225798 336126669 /nfs/dbraw/zinc/12/66/69/336126669.db2.gz OIWUJYDNSOPRMY-HNNXBMFYSA-N 1 1 302.418 3.905 20 30 DHEDMO CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)c1 ZINC000330225798 336126670 /nfs/dbraw/zinc/12/66/70/336126670.db2.gz OIWUJYDNSOPRMY-HNNXBMFYSA-N 1 1 302.418 3.905 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000324302242 336131981 /nfs/dbraw/zinc/13/19/81/336131981.db2.gz POXKYDFNHDVTJZ-CQSZACIVSA-N 1 1 312.388 3.769 20 30 DHEDMO CCn1c2ccccc2nc1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000330309262 336146476 /nfs/dbraw/zinc/14/64/76/336146476.db2.gz UCZFNHDFKFVJDQ-CQSZACIVSA-N 1 1 314.433 3.909 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000352702170 336231366 /nfs/dbraw/zinc/23/13/66/336231366.db2.gz SQABWPDQZVQGAH-UHFFFAOYSA-N 1 1 323.396 3.869 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000352702170 336231367 /nfs/dbraw/zinc/23/13/67/336231367.db2.gz SQABWPDQZVQGAH-UHFFFAOYSA-N 1 1 323.396 3.869 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1cccc(C#N)c1 ZINC000352802911 336239767 /nfs/dbraw/zinc/23/97/67/336239767.db2.gz XAKOBXZBEXUBRL-HNNXBMFYSA-N 1 1 310.397 3.783 20 30 DHEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000532378838 336244047 /nfs/dbraw/zinc/24/40/47/336244047.db2.gz GVFZEHYNSDHNFP-HNNXBMFYSA-N 1 1 308.466 3.760 20 30 DHEDMO C[C@H](O)C[N@@H+](CC#Cc1cccc(Cl)c1)C1CCCCC1 ZINC000532608472 336257552 /nfs/dbraw/zinc/25/75/52/336257552.db2.gz UZTPYIZPAGLUQI-HNNXBMFYSA-N 1 1 305.849 3.707 20 30 DHEDMO Cc1c(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cccc1[N+](=O)[O-] ZINC000580374113 336261598 /nfs/dbraw/zinc/26/15/98/336261598.db2.gz ZQBBNZRAWXKWOV-LBPRGKRZSA-N 1 1 313.332 3.765 20 30 DHEDMO CC[C@H]1CCCC[N@H+]1CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538506728 336270449 /nfs/dbraw/zinc/27/04/49/336270449.db2.gz UHPQBMKZPNNXMR-YOEHRIQHSA-N 1 1 303.425 3.612 20 30 DHEDMO CC[C@H]1CCCCN1CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538506728 336270450 /nfs/dbraw/zinc/27/04/50/336270450.db2.gz UHPQBMKZPNNXMR-YOEHRIQHSA-N 1 1 303.425 3.612 20 30 DHEDMO CCCOc1ccc(C(C)(C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352861656 336282212 /nfs/dbraw/zinc/28/22/12/336282212.db2.gz JKNBCEJIAAHWMY-UHFFFAOYSA-N 1 1 315.442 3.828 20 30 DHEDMO CCC(CC)[C@@H](CN[C@H](C)c1ccc(OCC#N)cc1)[NH+](C)C ZINC000192953898 336285984 /nfs/dbraw/zinc/28/59/84/336285984.db2.gz KENVTQXYWFYAKP-DNVCBOLYSA-N 1 1 317.477 3.606 20 30 DHEDMO C[C@H](CNc1snc(Cl)c1C#N)[N@@H+](C)Cc1ccccc1 ZINC000301223684 336295535 /nfs/dbraw/zinc/29/55/35/336295535.db2.gz AKCMWQDXOUJRDV-LLVKDONJSA-N 1 1 320.849 3.601 20 30 DHEDMO CC(=O)c1ccc(C#N)c(NC[C@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000302113457 336349095 /nfs/dbraw/zinc/34/90/95/336349095.db2.gz BKAHJOQTVADURS-GOSISDBHSA-N 1 1 313.445 3.683 20 30 DHEDMO N#Cc1cccc(C#N)c1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000302819461 336370398 /nfs/dbraw/zinc/37/03/98/336370398.db2.gz CQKPLYVURONIKW-LJQANCHMSA-N 1 1 316.408 3.506 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c(C#N)cccc2C#N)C1 ZINC000302895738 336373654 /nfs/dbraw/zinc/37/36/54/336373654.db2.gz QWOSEMFZGKMFED-SJORKVTESA-N 1 1 322.456 3.521 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000352956544 336379265 /nfs/dbraw/zinc/37/92/65/336379265.db2.gz VYVXSTLHXZKXJG-UHFFFAOYSA-N 1 1 304.371 3.511 20 30 DHEDMO CCc1ccc([C@H](COC)[NH2+][C@H]2CCc3ccc(C#N)cc32)o1 ZINC000353246170 336407939 /nfs/dbraw/zinc/40/79/39/336407939.db2.gz YWZYAZNTAYQODG-ROUUACIJSA-N 1 1 310.397 3.678 20 30 DHEDMO C=CCC(CC=C)C(=O)N1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000361334501 336751749 /nfs/dbraw/zinc/75/17/49/336751749.db2.gz GTRRAWKORCSXHT-QGZVFWFLSA-N 1 1 313.445 3.561 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000368665447 336850390 /nfs/dbraw/zinc/85/03/90/336850390.db2.gz GMPBGAZIYJOXNN-INIZCTEOSA-N 1 1 317.383 3.663 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000373458411 336961164 /nfs/dbraw/zinc/96/11/64/336961164.db2.gz GKLYLGVSFJIJAS-UHFFFAOYSA-N 1 1 311.816 3.986 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000375120223 337003752 /nfs/dbraw/zinc/00/37/52/337003752.db2.gz IXOCJGXUDFUBQC-HZPDHXFCSA-N 1 1 303.450 3.600 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000375317597 337007889 /nfs/dbraw/zinc/00/78/89/337007889.db2.gz GRSPHXPFJXEMNI-MOPGFXCFSA-N 1 1 314.429 3.513 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(c3c(F)cccc3F)CC2)o1 ZINC000375336196 337008291 /nfs/dbraw/zinc/00/82/91/337008291.db2.gz ZIUWMROZVBXXRV-UHFFFAOYSA-N 1 1 302.324 3.809 20 30 DHEDMO Cc1cccc([C@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)n1 ZINC000375596146 337014073 /nfs/dbraw/zinc/01/40/73/337014073.db2.gz JLEFLINLPDBRPU-GOSISDBHSA-N 1 1 313.445 3.628 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000376956093 337044173 /nfs/dbraw/zinc/04/41/73/337044173.db2.gz QRSAIYOQTAEJIR-GOSISDBHSA-N 1 1 314.473 3.632 20 30 DHEDMO CC(C)c1[nH+]ccn1[C@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000377838089 337062269 /nfs/dbraw/zinc/06/22/69/337062269.db2.gz VMRHXAOWKFPIHG-INIZCTEOSA-N 1 1 312.392 3.859 20 30 DHEDMO C[N@H+]1CCC[C@H](CNc2cccnc2C#N)[C@H]1c1cccs1 ZINC000378062140 337065740 /nfs/dbraw/zinc/06/57/40/337065740.db2.gz SLTFLNDTIHQORP-DYVFJYSZSA-N 1 1 312.442 3.510 20 30 DHEDMO CCc1noc(C)c1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000378083268 337066098 /nfs/dbraw/zinc/06/60/98/337066098.db2.gz ASYOUSQOILYZOS-APWZRJJASA-N 1 1 309.413 3.817 20 30 DHEDMO CCc1noc(C)c1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000378083268 337066099 /nfs/dbraw/zinc/06/60/99/337066099.db2.gz ASYOUSQOILYZOS-APWZRJJASA-N 1 1 309.413 3.817 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)[nH]n1 ZINC000378166668 337067633 /nfs/dbraw/zinc/06/76/33/337067633.db2.gz BGOKZNJDLIMGRS-QGZVFWFLSA-N 1 1 322.456 3.899 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)n[nH]1 ZINC000378166668 337067634 /nfs/dbraw/zinc/06/76/34/337067634.db2.gz BGOKZNJDLIMGRS-QGZVFWFLSA-N 1 1 322.456 3.899 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)n[nH]1 ZINC000378166668 337067635 /nfs/dbraw/zinc/06/76/35/337067635.db2.gz BGOKZNJDLIMGRS-QGZVFWFLSA-N 1 1 322.456 3.899 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nccn1CC(F)(F)F ZINC000171381511 337086204 /nfs/dbraw/zinc/08/62/04/337086204.db2.gz LJYFGSKMYGKDNP-UHFFFAOYSA-N 1 1 323.362 3.676 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1nccn1CC(F)(F)F ZINC000171381511 337086205 /nfs/dbraw/zinc/08/62/05/337086205.db2.gz LJYFGSKMYGKDNP-UHFFFAOYSA-N 1 1 323.362 3.676 20 30 DHEDMO Cc1ccc(OC2CC[NH+](Cc3ccccc3C#N)CC2)cc1 ZINC000172017336 337090925 /nfs/dbraw/zinc/09/09/25/337090925.db2.gz OLUQVENPAYJENM-UHFFFAOYSA-N 1 1 306.409 3.910 20 30 DHEDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000174800089 337143522 /nfs/dbraw/zinc/14/35/22/337143522.db2.gz MMDDBGNOFYEGRN-ZFWWWQNUSA-N 1 1 319.474 3.849 20 30 DHEDMO CCC[C@H]1[C@H](C)CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000174799663 337143532 /nfs/dbraw/zinc/14/35/32/337143532.db2.gz MMDDBGNOFYEGRN-HIFRSBDPSA-N 1 1 319.474 3.849 20 30 DHEDMO C=CC[NH+]1CCC(N[C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000177912499 337158827 /nfs/dbraw/zinc/15/88/27/337158827.db2.gz BMQQYXJQEMSJJX-ZDUSSCGKSA-N 1 1 308.853 3.650 20 30 DHEDMO C=CC[NH+]1CCC(N[C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000177912520 337158911 /nfs/dbraw/zinc/15/89/11/337158911.db2.gz BMQQYXJQEMSJJX-CYBMUJFWSA-N 1 1 308.853 3.650 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc3ccccc3n2)CC1 ZINC000177917372 337158935 /nfs/dbraw/zinc/15/89/35/337158935.db2.gz AIEHPFPYUVOCIN-INIZCTEOSA-N 1 1 309.457 3.926 20 30 DHEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cn(-c2ccccc2)nn1 ZINC000178053833 337160124 /nfs/dbraw/zinc/16/01/24/337160124.db2.gz QWBVQLMRBYYIRQ-LSDHHAIUSA-N 1 1 317.396 3.551 20 30 DHEDMO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000177858952 337160758 /nfs/dbraw/zinc/16/07/58/337160758.db2.gz YLCORRPZCGLLMX-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO C[C@H]1c2cccn2CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000179565394 337170275 /nfs/dbraw/zinc/17/02/75/337170275.db2.gz WAEBEBLIBJWPFK-INIZCTEOSA-N 1 1 309.413 3.747 20 30 DHEDMO C[C@H]1c2cccn2CC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000179565394 337170276 /nfs/dbraw/zinc/17/02/76/337170276.db2.gz WAEBEBLIBJWPFK-INIZCTEOSA-N 1 1 309.413 3.747 20 30 DHEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H](C)C(C)C ZINC000180002022 337173136 /nfs/dbraw/zinc/17/31/36/337173136.db2.gz ZASFOQBOGGXIMD-HNNXBMFYSA-N 1 1 310.445 3.825 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)c(OCCC(C)C)c1 ZINC000184093342 337196131 /nfs/dbraw/zinc/19/61/31/337196131.db2.gz LQDRHMYVDCTONA-MRXNPFEDSA-N 1 1 304.434 3.902 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000321094808 337197784 /nfs/dbraw/zinc/19/77/84/337197784.db2.gz NZUYSLQEIHKLAV-CQSZACIVSA-N 1 1 312.388 3.769 20 30 DHEDMO CCCO[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000187008436 337261143 /nfs/dbraw/zinc/26/11/43/337261143.db2.gz DNSFAJDLJSKOLA-QGZVFWFLSA-N 1 1 306.837 3.993 20 30 DHEDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000187008436 337261144 /nfs/dbraw/zinc/26/11/44/337261144.db2.gz DNSFAJDLJSKOLA-QGZVFWFLSA-N 1 1 306.837 3.993 20 30 DHEDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(Cl)cc1C#N ZINC000187085876 337263079 /nfs/dbraw/zinc/26/30/79/337263079.db2.gz RQEOJOXNRMCPOE-KRWDZBQOSA-N 1 1 305.853 3.518 20 30 DHEDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000187576598 337267142 /nfs/dbraw/zinc/26/71/42/337267142.db2.gz JQNXDIJZRPDZMY-WBVHZDCISA-N 1 1 316.445 3.998 20 30 DHEDMO C[N@H+]1CC[C@@H](CSc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000187697508 337269191 /nfs/dbraw/zinc/26/91/91/337269191.db2.gz XZHACBJUQULQOG-SNVBAGLBSA-N 1 1 300.349 3.621 20 30 DHEDMO C=CCC1(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CCC1 ZINC000188683819 337274938 /nfs/dbraw/zinc/27/49/38/337274938.db2.gz VBFXNXJVAITUHE-KRWDZBQOSA-N 1 1 314.473 3.760 20 30 DHEDMO C=CCC1(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CCC1 ZINC000188809539 337275312 /nfs/dbraw/zinc/27/53/12/337275312.db2.gz ROEQSUHPIBZVGE-UHFFFAOYSA-N 1 1 314.473 3.889 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C#N)c(F)c1 ZINC000191968265 337301527 /nfs/dbraw/zinc/30/15/27/337301527.db2.gz KRGOLENCDQUHIC-UHFFFAOYSA-N 1 1 305.356 3.757 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C#N)c(F)c1 ZINC000191968265 337301528 /nfs/dbraw/zinc/30/15/28/337301528.db2.gz KRGOLENCDQUHIC-UHFFFAOYSA-N 1 1 305.356 3.757 20 30 DHEDMO CCCCCCCCCC[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000584650085 337380708 /nfs/dbraw/zinc/38/07/08/337380708.db2.gz VMDXIZMOOCYQSW-QGZVFWFLSA-N 1 1 311.514 3.863 20 30 DHEDMO N#CC1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000057872674 337458038 /nfs/dbraw/zinc/45/80/38/337458038.db2.gz SFTWMUJMGKWHIJ-UHFFFAOYSA-N 1 1 319.408 3.674 20 30 DHEDMO N#C[C@H]1CC[C@@H]([NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000424315590 337819906 /nfs/dbraw/zinc/81/99/06/337819906.db2.gz AGKYBJOINNHJMI-WBHUJUFNSA-N 1 1 313.351 3.731 20 30 DHEDMO C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000107904485 337832925 /nfs/dbraw/zinc/83/29/25/337832925.db2.gz MTULGSDXIYXVAG-NSHDSACASA-N 1 1 315.760 3.971 20 30 DHEDMO C[N@@H+](Cc1cccc(F)c1C#N)[C@@H]1CCCN(c2ccccc2)C1 ZINC000428231773 338043332 /nfs/dbraw/zinc/04/33/32/338043332.db2.gz WWLLJFIQFLMIKE-GOSISDBHSA-N 1 1 323.415 3.798 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000428399955 338050143 /nfs/dbraw/zinc/05/01/43/338050143.db2.gz IMIZWIPKMZRAHV-ZDUSSCGKSA-N 1 1 301.390 3.533 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000428399955 338050144 /nfs/dbraw/zinc/05/01/44/338050144.db2.gz IMIZWIPKMZRAHV-ZDUSSCGKSA-N 1 1 301.390 3.533 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000428782438 338061027 /nfs/dbraw/zinc/06/10/27/338061027.db2.gz UIZZSFWZBKISKA-QFBILLFUSA-N 1 1 301.430 3.548 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429245699 338074619 /nfs/dbraw/zinc/07/46/19/338074619.db2.gz LBABXKFMSSOKQI-JKSUJKDBSA-N 1 1 323.415 3.969 20 30 DHEDMO CCOc1cc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)ccc1OC(F)F ZINC000429722395 338088517 /nfs/dbraw/zinc/08/85/17/338088517.db2.gz IHGCEFTZFMUZGI-JSGCOSHPSA-N 1 1 324.371 3.811 20 30 DHEDMO CCOc1cc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)ccc1OC(F)F ZINC000429722396 338088520 /nfs/dbraw/zinc/08/85/20/338088520.db2.gz IHGCEFTZFMUZGI-OCCSQVGLSA-N 1 1 324.371 3.811 20 30 DHEDMO C=CCC(C)(C)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000429889333 338091549 /nfs/dbraw/zinc/09/15/49/338091549.db2.gz VBFSCAYGQJILIA-UHFFFAOYSA-N 1 1 314.473 3.542 20 30 DHEDMO C=CCN(CCc1ccccc1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431782796 338138716 /nfs/dbraw/zinc/13/87/16/338138716.db2.gz FSRTYCXFSBUINA-LJQANCHMSA-N 1 1 314.473 3.508 20 30 DHEDMO COCC[N@@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCCSC1 ZINC000433205964 338185885 /nfs/dbraw/zinc/18/58/85/338185885.db2.gz MQMWIAPIUFCIKK-KRWDZBQOSA-N 1 1 323.889 3.536 20 30 DHEDMO Cc1nc2ccccc2n1CCCCC[N@H+](C)CC(C)(C)C#N ZINC000433303383 338190725 /nfs/dbraw/zinc/19/07/25/338190725.db2.gz HZTOJOZPMKPNEZ-UHFFFAOYSA-N 1 1 312.461 3.997 20 30 DHEDMO N#Cc1cc(F)ccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000433316945 338192021 /nfs/dbraw/zinc/19/20/21/338192021.db2.gz HGOZBTDMPIRCIU-IBGZPJMESA-N 1 1 324.399 3.691 20 30 DHEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](CCCSCC#N)C1 ZINC000434907637 338227898 /nfs/dbraw/zinc/22/78/98/338227898.db2.gz SVEZDVJVYIBBQZ-GOSISDBHSA-N 1 1 302.487 3.978 20 30 DHEDMO N#Cc1c(C[N@H+]2CCS[C@H]3CCCC[C@H]32)cn2ccccc12 ZINC000437536146 338312991 /nfs/dbraw/zinc/31/29/91/338312991.db2.gz MWRBRMFJACAEMU-MSOLQXFVSA-N 1 1 311.454 3.671 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000437548960 338313235 /nfs/dbraw/zinc/31/32/35/338313235.db2.gz QOJIKPQZYFGORZ-IBGZPJMESA-N 1 1 306.409 3.556 20 30 DHEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCC1 ZINC000437857027 338323569 /nfs/dbraw/zinc/32/35/69/338323569.db2.gz BSWPRJMUVQZTRG-KRWDZBQOSA-N 1 1 304.478 3.646 20 30 DHEDMO C[C@H](C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccc(F)cc1 ZINC000438101262 338331566 /nfs/dbraw/zinc/33/15/66/338331566.db2.gz FSQDIONMKWTPML-FOIQADDNSA-N 1 1 324.399 3.874 20 30 DHEDMO C[C@H](C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccc(F)cc1 ZINC000438101262 338331567 /nfs/dbraw/zinc/33/15/67/338331567.db2.gz FSQDIONMKWTPML-FOIQADDNSA-N 1 1 324.399 3.874 20 30 DHEDMO OCCC[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccccc1 ZINC000438612556 338349958 /nfs/dbraw/zinc/34/99/58/338349958.db2.gz JCEBZHFLEWJLSH-UHFFFAOYSA-N 1 1 313.828 3.576 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)CC1(O)CCC(C)CC1 ZINC000438831359 338352966 /nfs/dbraw/zinc/35/29/66/338352966.db2.gz BRJWRXCEVYZHTI-UHFFFAOYSA-N 1 1 303.446 3.624 20 30 DHEDMO C[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1Cl)C1CCCCC1 ZINC000439459698 338370269 /nfs/dbraw/zinc/37/02/69/338370269.db2.gz HFCJUWNKDGAXES-ZDUSSCGKSA-N 1 1 306.837 3.727 20 30 DHEDMO N#Cc1cccc(C[NH2+]Cc2cccc(F)c2Br)c1 ZINC000156704906 338380417 /nfs/dbraw/zinc/38/04/17/338380417.db2.gz UEMIRZBTXXVQMY-UHFFFAOYSA-N 1 1 319.177 3.750 20 30 DHEDMO COc1cc(C[NH2+][C@H](c2ncc(C)s2)C2CC2)ccc1C#N ZINC000440814426 338397982 /nfs/dbraw/zinc/39/79/82/338397982.db2.gz DBIUPVZDHBCEJK-INIZCTEOSA-N 1 1 313.426 3.573 20 30 DHEDMO COc1cc(C[NH2+][C@@H](c2ncc(C)s2)C2CC2)ccc1C#N ZINC000440814428 338398005 /nfs/dbraw/zinc/39/80/05/338398005.db2.gz DBIUPVZDHBCEJK-MRXNPFEDSA-N 1 1 313.426 3.573 20 30 DHEDMO C[NH+](C)Cc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1Br ZINC000442875541 338437314 /nfs/dbraw/zinc/43/73/14/338437314.db2.gz OZJSADOJPMHILG-AAEUAGOBSA-N 1 1 322.250 3.615 20 30 DHEDMO C=CCCCC[C@H](C)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000449052385 338588384 /nfs/dbraw/zinc/58/83/84/338588384.db2.gz DQBJSJOXHWFKGK-HNNXBMFYSA-N 1 1 303.450 3.734 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000459295358 339019878 /nfs/dbraw/zinc/01/98/78/339019878.db2.gz PVINTJDIHVVBFM-QGZVFWFLSA-N 1 1 321.380 3.674 20 30 DHEDMO COC(=O)c1cccc2c1CC[N@@H+](CCCCC(C)(C)C#N)C2 ZINC000459545466 339035023 /nfs/dbraw/zinc/03/50/23/339035023.db2.gz LREMGYFYQINGTD-UHFFFAOYSA-N 1 1 314.429 3.551 20 30 DHEDMO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1nc2c(s1)CCC2 ZINC000459630054 339039137 /nfs/dbraw/zinc/03/91/37/339039137.db2.gz HWLUQUXHCWNBFS-GFCCVEGCSA-N 1 1 316.857 3.988 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c(Cl)c1 ZINC000459795731 339048992 /nfs/dbraw/zinc/04/89/92/339048992.db2.gz OXIXQNXCNSFMEU-FUHWJXTLSA-N 1 1 318.848 3.585 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCc1ccncc1 ZINC000462309675 339075447 /nfs/dbraw/zinc/07/54/47/339075447.db2.gz CZLSIEDZDBRZDU-UXHICEINSA-N 1 1 305.425 3.786 20 30 DHEDMO C=CCOc1cccc(CN[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000462736017 339085741 /nfs/dbraw/zinc/08/57/41/339085741.db2.gz CSOPOOJQLZCKRK-LJQANCHMSA-N 1 1 314.473 3.606 20 30 DHEDMO C=CCOc1cccc(C[NH2+][C@@H]2CCN(CC3CCCC3)C2)c1 ZINC000462736017 339085742 /nfs/dbraw/zinc/08/57/42/339085742.db2.gz CSOPOOJQLZCKRK-LJQANCHMSA-N 1 1 314.473 3.606 20 30 DHEDMO C=CCC[C@H](CCC)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000462855604 339094408 /nfs/dbraw/zinc/09/44/08/339094408.db2.gz NZSUXPWOXRREFR-PKOBYXMFSA-N 1 1 302.462 3.800 20 30 DHEDMO N#Cc1cc(Cl)ccc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462949020 339098738 /nfs/dbraw/zinc/09/87/38/339098738.db2.gz XTUZXZGJHUNSOV-INIZCTEOSA-N 1 1 303.837 3.888 20 30 DHEDMO C=CCCC[N@H+](C)Cc1nc2ccc(Br)cc2o1 ZINC000463107477 339105992 /nfs/dbraw/zinc/10/59/92/339105992.db2.gz TYPULICKUWIUJU-UHFFFAOYSA-N 1 1 309.207 3.988 20 30 DHEDMO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccc1C#N ZINC000463201987 339109239 /nfs/dbraw/zinc/10/92/39/339109239.db2.gz XARKGJKYGMRSMO-ZCNNSNEGSA-N 1 1 312.457 3.772 20 30 DHEDMO N#C[C@@H]1CCC[C@H]([NH2+]CC2(N3CCCCC3)CCCCC2)C1 ZINC000463283656 339113365 /nfs/dbraw/zinc/11/33/65/339113365.db2.gz OAGVHEWRFGIPDU-MSOLQXFVSA-N 1 1 303.494 3.847 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000466553625 339209110 /nfs/dbraw/zinc/20/91/10/339209110.db2.gz XEOSSNXUOFTABN-OAHLLOKOSA-N 1 1 300.446 3.864 20 30 DHEDMO COCC[C@@H]1CCCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000467274330 339229556 /nfs/dbraw/zinc/22/95/56/339229556.db2.gz GDAIYDVIFWUYTA-KRWDZBQOSA-N 1 1 305.849 3.830 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000467304580 339230774 /nfs/dbraw/zinc/23/07/74/339230774.db2.gz NJAMGNOCIXJNAU-UHFFFAOYSA-N 1 1 310.397 3.925 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCCO[C@H](CC)C2)cc1Cl ZINC000467560471 339242437 /nfs/dbraw/zinc/24/24/37/339242437.db2.gz RSRODULDPOWBQA-OAHLLOKOSA-N 1 1 309.837 3.906 20 30 DHEDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1ccc(F)c(C#N)c1 ZINC000468267844 339258277 /nfs/dbraw/zinc/25/82/77/339258277.db2.gz JVASLWDOEOSBEW-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO CCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000468272462 339258418 /nfs/dbraw/zinc/25/84/18/339258418.db2.gz MJFBNPZMOXCJSH-NXHRZFHOSA-N 1 1 316.420 3.723 20 30 DHEDMO Cc1ccccc1OCCC[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000468281255 339258683 /nfs/dbraw/zinc/25/86/83/339258683.db2.gz MOLOPKMASVAGKH-UHFFFAOYSA-N 1 1 312.388 3.907 20 30 DHEDMO C=CC[C@@H](C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC000468488100 339263940 /nfs/dbraw/zinc/26/39/40/339263940.db2.gz PJDMBNOHTDXOQC-QZTJIDSGSA-N 1 1 314.473 3.583 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc2c1NCC2 ZINC000469880064 339303670 /nfs/dbraw/zinc/30/36/70/339303670.db2.gz IQAIXRTYUZHNGU-UHFFFAOYSA-N 1 1 323.396 3.751 20 30 DHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc2c1NCC2 ZINC000469880064 339303671 /nfs/dbraw/zinc/30/36/71/339303671.db2.gz IQAIXRTYUZHNGU-UHFFFAOYSA-N 1 1 323.396 3.751 20 30 DHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000470000185 339307883 /nfs/dbraw/zinc/30/78/83/339307883.db2.gz QDWWERASUXGAMT-OAHLLOKOSA-N 1 1 321.346 3.974 20 30 DHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000470000185 339307884 /nfs/dbraw/zinc/30/78/84/339307884.db2.gz QDWWERASUXGAMT-OAHLLOKOSA-N 1 1 321.346 3.974 20 30 DHEDMO C=CCOCCC[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000470720256 339325943 /nfs/dbraw/zinc/32/59/43/339325943.db2.gz RMAKOZPWWSAVQO-UHFFFAOYSA-N 1 1 303.324 3.610 20 30 DHEDMO C=CCOCCC[N@@H+]1CC=C(c2ccccc2OCC)CC1 ZINC000470721875 339326175 /nfs/dbraw/zinc/32/61/75/339326175.db2.gz FLLSFIPHDWNLSI-UHFFFAOYSA-N 1 1 301.430 3.767 20 30 DHEDMO C=CCOCCC[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000470766436 339327262 /nfs/dbraw/zinc/32/72/62/339327262.db2.gz PXJWXSPFWCLXBR-HNNXBMFYSA-N 1 1 309.837 3.776 20 30 DHEDMO C=C(C)C[N@@H+](CCC(=O)Nc1ccc(C)cn1)Cc1ccccc1 ZINC000470915400 339331038 /nfs/dbraw/zinc/33/10/38/339331038.db2.gz ZPSUBFBZQBLXAM-UHFFFAOYSA-N 1 1 323.440 3.797 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000470918432 339331173 /nfs/dbraw/zinc/33/11/73/339331173.db2.gz JGAKHQHBMVXBKF-LJQANCHMSA-N 1 1 311.425 3.505 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000472349970 339370544 /nfs/dbraw/zinc/37/05/44/339370544.db2.gz PGKLHAYERHWGKZ-BEFAXECRSA-N 1 1 318.436 3.633 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000472776232 339377466 /nfs/dbraw/zinc/37/74/66/339377466.db2.gz USPDQWJFEOJCTB-HOTGVXAUSA-N 1 1 324.262 3.913 20 30 DHEDMO C=C[C@H](C)NC(=O)NCc1cccc(C[N@H+](CC)CCCC)c1 ZINC000473738694 339391026 /nfs/dbraw/zinc/39/10/26/339391026.db2.gz FVEPMWLYDSTNKC-INIZCTEOSA-N 1 1 317.477 3.682 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)CC1CCCC1 ZINC000473745049 339391221 /nfs/dbraw/zinc/39/12/21/339391221.db2.gz QVWWJKDLNJHLAR-LJQANCHMSA-N 1 1 300.446 3.711 20 30 DHEDMO C=CCCCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000473893438 339394433 /nfs/dbraw/zinc/39/44/33/339394433.db2.gz IGRXRPVKSNWRQM-INIZCTEOSA-N 1 1 323.868 3.598 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)c1 ZINC000500236243 340053568 /nfs/dbraw/zinc/05/35/68/340053568.db2.gz MVSIHJFJCCTWOX-SFHVURJKSA-N 1 1 310.372 3.741 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)c1 ZINC000500236243 340053569 /nfs/dbraw/zinc/05/35/69/340053569.db2.gz MVSIHJFJCCTWOX-SFHVURJKSA-N 1 1 310.372 3.741 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000500239486 340053861 /nfs/dbraw/zinc/05/38/61/340053861.db2.gz YIIVXUHWSHSUEF-IBGZPJMESA-N 1 1 310.372 3.741 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000500239486 340053862 /nfs/dbraw/zinc/05/38/62/340053862.db2.gz YIIVXUHWSHSUEF-IBGZPJMESA-N 1 1 310.372 3.741 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000501205847 340076035 /nfs/dbraw/zinc/07/60/35/340076035.db2.gz BISAQDSTSJRXMA-UHFFFAOYSA-N 1 1 324.424 3.824 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000501218743 340076342 /nfs/dbraw/zinc/07/63/42/340076342.db2.gz RLUJEIKMAROINZ-HNAYVOBHSA-N 1 1 306.409 3.945 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000502446358 340103857 /nfs/dbraw/zinc/10/38/57/340103857.db2.gz BFNBMTDAIMMIAL-LMMKCTJWSA-N 1 1 314.473 3.758 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000502446358 340103858 /nfs/dbraw/zinc/10/38/58/340103858.db2.gz BFNBMTDAIMMIAL-LMMKCTJWSA-N 1 1 314.473 3.758 20 30 DHEDMO C=C[C@H](CC(=O)Nc1cc(C)c2[nH+]ccn2c1)c1ccccc1 ZINC000502809840 340113971 /nfs/dbraw/zinc/11/39/71/340113971.db2.gz JZECUBORNSKRBT-OAHLLOKOSA-N 1 1 305.381 3.941 20 30 DHEDMO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000503037343 340119424 /nfs/dbraw/zinc/11/94/24/340119424.db2.gz XNLIJJIXWQCLBC-QGZVFWFLSA-N 1 1 300.402 3.999 20 30 DHEDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000503037343 340119425 /nfs/dbraw/zinc/11/94/25/340119425.db2.gz XNLIJJIXWQCLBC-QGZVFWFLSA-N 1 1 300.402 3.999 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000503595490 340131993 /nfs/dbraw/zinc/13/19/93/340131993.db2.gz YIMDSNDBDYGNQF-MRXNPFEDSA-N 1 1 310.372 3.566 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NCC[N@H+](CC)CCC ZINC000505000326 340158308 /nfs/dbraw/zinc/15/83/08/340158308.db2.gz CITWNAYMZQUSNA-UHFFFAOYSA-N 1 1 303.450 3.659 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000505023232 340159156 /nfs/dbraw/zinc/15/91/56/340159156.db2.gz KMOOUIGPNPDNTB-HOTGVXAUSA-N 1 1 315.461 3.752 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000505038891 340159638 /nfs/dbraw/zinc/15/96/38/340159638.db2.gz LFPDJYWGUYSMTQ-UHFFFAOYSA-N 1 1 315.461 3.753 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000505046319 340159949 /nfs/dbraw/zinc/15/99/49/340159949.db2.gz RTXRIVHLXXSIOP-IAGOWNOFSA-N 1 1 313.445 3.554 20 30 DHEDMO COCC[N@@H+](C)CC[C@@H](Nc1ccc(C#N)cc1)c1ccccc1 ZINC000505577398 340171641 /nfs/dbraw/zinc/17/16/41/340171641.db2.gz VKLAXTWFGMESFK-HXUWFJFHSA-N 1 1 323.440 3.680 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)ccc1F ZINC000505813129 340178630 /nfs/dbraw/zinc/17/86/30/340178630.db2.gz RNIMLJPGJJYERM-MRXNPFEDSA-N 1 1 310.372 3.598 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c(F)c1 ZINC000505822902 340178948 /nfs/dbraw/zinc/17/89/48/340178948.db2.gz AYGHODORZLSYRA-MRXNPFEDSA-N 1 1 310.372 3.598 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000507213127 340213864 /nfs/dbraw/zinc/21/38/64/340213864.db2.gz PNNQOZNKLQEOSW-UHFFFAOYSA-N 1 1 306.409 3.904 20 30 DHEDMO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)CCC1CCCCC1 ZINC000507585830 340225650 /nfs/dbraw/zinc/22/56/50/340225650.db2.gz DWHQVHKDCOHCNA-UHFFFAOYSA-N 1 1 313.445 3.789 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CCO[C@H](CC)C1 ZINC000507774655 340230792 /nfs/dbraw/zinc/23/07/92/340230792.db2.gz JQVDHOQSGIBVAO-QZTJIDSGSA-N 1 1 303.446 3.888 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCO[C@@H](CC)C1 ZINC000507779022 340231033 /nfs/dbraw/zinc/23/10/33/340231033.db2.gz TYQSNCBSQXMOHI-AEFFLSMTSA-N 1 1 318.417 3.788 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1nc2cc(Br)ccc2o1 ZINC000509328888 340266374 /nfs/dbraw/zinc/26/63/74/340266374.db2.gz VUPDKXOIICRZAA-UHFFFAOYSA-N 1 1 309.207 3.988 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000509372929 340267692 /nfs/dbraw/zinc/26/76/92/340267692.db2.gz OPGBSLAJNSHJQZ-KRWDZBQOSA-N 1 1 315.461 3.795 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000509384167 340268006 /nfs/dbraw/zinc/26/80/06/340268006.db2.gz GHXVJPXNKZVDPD-HNNXBMFYSA-N 1 1 319.424 3.625 20 30 DHEDMO C[N@@H+](CCOc1ccccc1Cl)Cc1cccc(C#N)c1 ZINC000302808202 340282567 /nfs/dbraw/zinc/28/25/67/340282567.db2.gz QYXHRJVECSYMPW-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1C[C@H](C)CC[C@H]1c1ccccc1OC ZINC000510228128 340293266 /nfs/dbraw/zinc/29/32/66/340293266.db2.gz KVJGPCDQTHKFKA-RYRKJORJSA-N 1 1 303.446 3.795 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510872421 340313504 /nfs/dbraw/zinc/31/35/04/340313504.db2.gz NCSPBWFSHGMJJZ-UONOGXRCSA-N 1 1 320.399 3.512 20 30 DHEDMO Cc1cc(OCC[NH+]2CCC(F)(C#N)CC2)ccc1C(C)C ZINC000510950899 340316076 /nfs/dbraw/zinc/31/60/76/340316076.db2.gz LTZYXOCHAOQHSZ-UHFFFAOYSA-N 1 1 304.409 3.825 20 30 DHEDMO C=CCN(CC1CCCCC1)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000303424983 340325059 /nfs/dbraw/zinc/32/50/59/340325059.db2.gz BNZWYCDDOKBFLO-GOSISDBHSA-N 1 1 321.509 3.639 20 30 DHEDMO C=CCOc1cccc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)c1 ZINC000511671869 340334756 /nfs/dbraw/zinc/33/47/56/340334756.db2.gz PAPTXUPJSIPLBU-OAQYLSRUSA-N 1 1 323.436 3.997 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)ccc1OC ZINC000511958694 340343743 /nfs/dbraw/zinc/34/37/43/340343743.db2.gz VPFBWXFDFFNTTO-HNNXBMFYSA-N 1 1 319.445 3.649 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2C[C@H](C)OC(C)(C)C2)ccc1OC ZINC000511958694 340343744 /nfs/dbraw/zinc/34/37/44/340343744.db2.gz VPFBWXFDFFNTTO-HNNXBMFYSA-N 1 1 319.445 3.649 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CCCC(F)(F)C1 ZINC000512161064 340350359 /nfs/dbraw/zinc/35/03/59/340350359.db2.gz CTOMMUAXOJUKAE-CQSZACIVSA-N 1 1 313.388 3.976 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000512293851 340355957 /nfs/dbraw/zinc/35/59/57/340355957.db2.gz MOPFPEBVBGWDBG-HNNXBMFYSA-N 1 1 319.408 3.722 20 30 DHEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000512440040 340361939 /nfs/dbraw/zinc/36/19/39/340361939.db2.gz ZMUNSMQBJMPRAY-MAUKXSAKSA-N 1 1 305.849 3.707 20 30 DHEDMO C[C@@H](NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512659939 340371623 /nfs/dbraw/zinc/37/16/23/340371623.db2.gz KKJKJXFUDPCBNI-HUUCEWRRSA-N 1 1 317.452 3.858 20 30 DHEDMO C[C@@H]([NH2+]CC(C)(C)N1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512659939 340371624 /nfs/dbraw/zinc/37/16/24/340371624.db2.gz KKJKJXFUDPCBNI-HUUCEWRRSA-N 1 1 317.452 3.858 20 30 DHEDMO C[C@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1ccc(C#N)cc1F ZINC000512667507 340372012 /nfs/dbraw/zinc/37/20/12/340372012.db2.gz PXHQOKPDHJVVEN-IFXJQAMLSA-N 1 1 317.452 3.858 20 30 DHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404085301 340377467 /nfs/dbraw/zinc/37/74/67/340377467.db2.gz RBVXSXULXDJDEY-ZDUSSCGKSA-N 1 1 300.299 3.860 20 30 DHEDMO CC(C)(C)c1csc(C[NH2+]Cc2ccc(C#N)c(F)c2)n1 ZINC000404161587 340382595 /nfs/dbraw/zinc/38/25/95/340382595.db2.gz ZMKOGGFDTFXXPF-UHFFFAOYSA-N 1 1 303.406 3.741 20 30 DHEDMO COc1ccc(OC)c(C[N@@H+](CCCC(C)(C)C#N)C2CC2)c1 ZINC000174817779 340396661 /nfs/dbraw/zinc/39/66/61/340396661.db2.gz RHHMZJDITLMFDM-UHFFFAOYSA-N 1 1 316.445 3.998 20 30 DHEDMO COC(=O)[C@@H](C)C[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000174838089 340397246 /nfs/dbraw/zinc/39/72/46/340397246.db2.gz QUUDXLGQNJZKLK-INIZCTEOSA-N 1 1 316.445 3.628 20 30 DHEDMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174840785 340397258 /nfs/dbraw/zinc/39/72/58/340397258.db2.gz RJTKZCOOOPFVJW-OAHLLOKOSA-N 1 1 323.481 3.648 20 30 DHEDMO C=CC1CC[NH+](Cc2cc(Br)c(OC)s2)CC1 ZINC000539830229 340903635 /nfs/dbraw/zinc/90/36/35/340903635.db2.gz IKSXPWDBAFXLGW-UHFFFAOYSA-N 1 1 316.264 3.917 20 30 DHEDMO N#Cc1ccc(C[N@@H+](CCc2ccc3c(c2)CCO3)C2CC2)cc1 ZINC000542243950 341001607 /nfs/dbraw/zinc/00/16/07/341001607.db2.gz ZMTOVQPJYLRAMB-UHFFFAOYSA-N 1 1 318.420 3.700 20 30 DHEDMO C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC(C)(C)C1 ZINC000542254534 341002033 /nfs/dbraw/zinc/00/20/33/341002033.db2.gz OCLXUMJYRMHGDS-LBPRGKRZSA-N 1 1 319.836 3.518 20 30 DHEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC(C)(C)C1 ZINC000542254534 341002034 /nfs/dbraw/zinc/00/20/34/341002034.db2.gz OCLXUMJYRMHGDS-LBPRGKRZSA-N 1 1 319.836 3.518 20 30 DHEDMO COc1ccc(CC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000542322490 341004965 /nfs/dbraw/zinc/00/49/65/341004965.db2.gz IKMBNESFPGTCFV-UHFFFAOYSA-N 1 1 306.409 3.774 20 30 DHEDMO Cc1cc(C2CCN(CC#Cc3ccccc3Cl)CC2)[nH]n1 ZINC000542979026 341027639 /nfs/dbraw/zinc/02/76/39/341027639.db2.gz SGYWYGCVIVTGSP-UHFFFAOYSA-N 1 1 313.832 3.603 20 30 DHEDMO Cc1cc(C2CC[NH+](CC#Cc3ccccc3Cl)CC2)n[nH]1 ZINC000542979026 341027640 /nfs/dbraw/zinc/02/76/40/341027640.db2.gz SGYWYGCVIVTGSP-UHFFFAOYSA-N 1 1 313.832 3.603 20 30 DHEDMO Cc1cc(C2CC[NH+](CC#Cc3ccccc3Cl)CC2)[nH]n1 ZINC000542979026 341027641 /nfs/dbraw/zinc/02/76/41/341027641.db2.gz SGYWYGCVIVTGSP-UHFFFAOYSA-N 1 1 313.832 3.603 20 30 DHEDMO CCOC(=O)C[N@H+](Cc1ccccc1C(C)(C)C#N)C(C)(C)C ZINC000130764349 341041452 /nfs/dbraw/zinc/04/14/52/341041452.db2.gz QZNSPFCTZFSWPR-UHFFFAOYSA-N 1 1 316.445 3.651 20 30 DHEDMO CCOC(=O)C[N@@H+](Cc1ccccc1C(C)(C)C#N)C(C)(C)C ZINC000130764349 341041453 /nfs/dbraw/zinc/04/14/53/341041453.db2.gz QZNSPFCTZFSWPR-UHFFFAOYSA-N 1 1 316.445 3.651 20 30 DHEDMO CCC[N@H+](CC(=O)OC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000543576536 341049488 /nfs/dbraw/zinc/04/94/88/341049488.db2.gz JUENNNXGCCBPMC-AWEZNQCLSA-N 1 1 302.418 3.673 20 30 DHEDMO CCC[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000543576536 341049489 /nfs/dbraw/zinc/04/94/89/341049489.db2.gz JUENNNXGCCBPMC-AWEZNQCLSA-N 1 1 302.418 3.673 20 30 DHEDMO COc1cc(C[NH2+]C[C@H](C)C#N)c(-c2ccccc2)cc1OC ZINC000543622455 341051412 /nfs/dbraw/zinc/05/14/12/341051412.db2.gz NAGHMPNWVYCPDW-CQSZACIVSA-N 1 1 310.397 3.620 20 30 DHEDMO Cc1oc(-c2cccs2)nc1C[NH+]1CCC(CC#N)CC1 ZINC000543807122 341059805 /nfs/dbraw/zinc/05/98/05/341059805.db2.gz MRNREDYTNXEWPD-UHFFFAOYSA-N 1 1 301.415 3.837 20 30 DHEDMO C=CCOc1cccc(C[N@H+](CCO)Cc2ccc(C)cc2)c1 ZINC000544034020 341067477 /nfs/dbraw/zinc/06/74/77/341067477.db2.gz DTPWUKNBPHSYOX-UHFFFAOYSA-N 1 1 311.425 3.554 20 30 DHEDMO Cc1ccccc1OCCC[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000544071782 341069176 /nfs/dbraw/zinc/06/91/76/341069176.db2.gz WZMTXASARKINFW-UHFFFAOYSA-N 1 1 308.425 3.962 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCOc2cccc(F)c2)C2CC2)cc1 ZINC000544183142 341073267 /nfs/dbraw/zinc/07/32/67/341073267.db2.gz CNNVITCMZBNHFQ-UHFFFAOYSA-N 1 1 310.372 3.741 20 30 DHEDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000152627599 341076558 /nfs/dbraw/zinc/07/65/58/341076558.db2.gz HHVGJVNIUHDGHT-OXQOHEQNSA-N 1 1 320.436 3.961 20 30 DHEDMO C=C(C)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000544511665 341084611 /nfs/dbraw/zinc/08/46/11/341084611.db2.gz DDQUDYPXHUWJJA-JTQLQIEISA-N 1 1 322.206 3.726 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc([N+](=O)[O-])cc1C ZINC000544610938 341088846 /nfs/dbraw/zinc/08/88/46/341088846.db2.gz FRMQKQZIXTXZSI-UHFFFAOYSA-N 1 1 321.380 3.963 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc([N+](=O)[O-])cc1C ZINC000544610938 341088847 /nfs/dbraw/zinc/08/88/47/341088847.db2.gz FRMQKQZIXTXZSI-UHFFFAOYSA-N 1 1 321.380 3.963 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000076737360 341213269 /nfs/dbraw/zinc/21/32/69/341213269.db2.gz ZQLAYOFRCUZHBB-LBPRGKRZSA-N 1 1 312.360 3.513 20 30 DHEDMO CC(C)C[N@@H+](CC(=O)Nc1sccc1C#N)CC(C)(C)C ZINC000134447878 341215442 /nfs/dbraw/zinc/21/54/42/341215442.db2.gz XNDHAEONXJONKM-UHFFFAOYSA-N 1 1 307.463 3.562 20 30 DHEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCC(C)(C)C#N ZINC000134625250 341220237 /nfs/dbraw/zinc/22/02/37/341220237.db2.gz AKHJNZUKAGCYQF-HUUCEWRRSA-N 1 1 323.481 3.694 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)cc1C#N ZINC000135159391 341232654 /nfs/dbraw/zinc/23/26/54/341232654.db2.gz WSHTVYMVVKWOLP-SFHVURJKSA-N 1 1 307.397 3.607 20 30 DHEDMO C=CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC000547978557 341241828 /nfs/dbraw/zinc/24/18/28/341241828.db2.gz JSPLZQABRRMPEY-WOJBJXKFSA-N 1 1 320.436 3.649 20 30 DHEDMO C=CC[C@@H](C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC000547978557 341241829 /nfs/dbraw/zinc/24/18/29/341241829.db2.gz JSPLZQABRRMPEY-WOJBJXKFSA-N 1 1 320.436 3.649 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2Br)s1 ZINC000135688549 341244181 /nfs/dbraw/zinc/24/41/81/341244181.db2.gz AFPBXMRCCDRTER-UHFFFAOYSA-N 1 1 307.216 3.672 20 30 DHEDMO C[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000548308923 341255355 /nfs/dbraw/zinc/25/53/55/341255355.db2.gz AJJUSGYFLUZKGP-ZDUSSCGKSA-N 1 1 323.371 3.519 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000548788298 341275554 /nfs/dbraw/zinc/27/55/54/341275554.db2.gz FOGOXNCLDBKXBS-LJQANCHMSA-N 1 1 319.408 3.799 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000548809345 341276525 /nfs/dbraw/zinc/27/65/25/341276525.db2.gz LPYVHYNYYATISS-INIZCTEOSA-N 1 1 315.461 3.657 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(=O)OC)c1 ZINC000550028374 341308914 /nfs/dbraw/zinc/30/89/14/341308914.db2.gz PWVMMQPOAIZXBT-UHFFFAOYSA-N 1 1 322.408 3.757 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3cnc(-c4ccccc4)[nH]3)CC2)c1 ZINC000551217997 341334146 /nfs/dbraw/zinc/33/41/46/341334146.db2.gz APUCTXZXEDGWGP-UHFFFAOYSA-N 1 1 314.392 3.727 20 30 DHEDMO C[N@H+](CCOc1cccc(Cl)c1)Cc1ccccc1C#N ZINC000248080881 341373030 /nfs/dbraw/zinc/37/30/30/341373030.db2.gz VHKJODXMJDYHCN-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO C[N@@H+](CCOc1cccc(Cl)c1)Cc1ccccc1C#N ZINC000248080881 341373031 /nfs/dbraw/zinc/37/30/31/341373031.db2.gz VHKJODXMJDYHCN-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO C=CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000249532034 341398991 /nfs/dbraw/zinc/39/89/91/341398991.db2.gz BDPIEAKXBGTOOL-IEBWSBKVSA-N 1 1 314.473 3.537 20 30 DHEDMO C=CCOc1cccc(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)c1 ZINC000566339428 341554545 /nfs/dbraw/zinc/55/45/45/341554545.db2.gz QRUAVZIKOQQFBY-AUUYWEPGSA-N 1 1 315.388 3.602 20 30 DHEDMO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H](C)c1cccc(C#N)c1)CC2 ZINC000364137978 518413298 /nfs/dbraw/zinc/41/32/98/518413298.db2.gz WSNKFSZCCKMRKZ-HNNXBMFYSA-N 1 1 318.420 3.923 20 30 DHEDMO CC[N@H+](Cc1cc(C#N)ccc1F)[C@H]1CCCc2cccnc21 ZINC000364998100 521286334 /nfs/dbraw/zinc/28/63/34/521286334.db2.gz FEXVGGSERJYSTM-SFHVURJKSA-N 1 1 309.388 3.992 20 30 DHEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCCc2cccnc21 ZINC000364998100 521286340 /nfs/dbraw/zinc/28/63/40/521286340.db2.gz FEXVGGSERJYSTM-SFHVURJKSA-N 1 1 309.388 3.992 20 30 DHEDMO COc1cc(C[N@@H+]2CCc3cc(F)cc(C)c3C2)ccc1C#N ZINC000337382365 522398693 /nfs/dbraw/zinc/39/86/93/522398693.db2.gz BLUXBGNGLACOIP-UHFFFAOYSA-N 1 1 310.372 3.573 20 30 DHEDMO COc1cc(C[N@H+]2CCc3cc(F)cc(C)c3C2)ccc1C#N ZINC000337382365 522398698 /nfs/dbraw/zinc/39/86/98/522398698.db2.gz BLUXBGNGLACOIP-UHFFFAOYSA-N 1 1 310.372 3.573 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338341398 523522920 /nfs/dbraw/zinc/52/29/20/523522920.db2.gz KNYNOSRBSPWLBO-UHFFFAOYSA-N 1 1 308.381 3.839 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)c(OC)c1 ZINC000265451431 524009597 /nfs/dbraw/zinc/00/95/97/524009597.db2.gz DGNBHSBHGXDHMT-CQSZACIVSA-N 1 1 310.397 3.768 20 30 DHEDMO COc1ccc(C[NH2+]C2(c3nc(C)cs3)CCC2)cc1C#N ZINC000266229314 524068690 /nfs/dbraw/zinc/06/86/90/524068690.db2.gz UCPWJMHZZMQWIG-UHFFFAOYSA-N 1 1 313.426 3.501 20 30 DHEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000180285226 526062405 /nfs/dbraw/zinc/06/24/05/526062405.db2.gz FFTNBSZHZWWSBI-LAJNKCICSA-N 1 1 318.467 3.550 20 30 DHEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000180285226 526062408 /nfs/dbraw/zinc/06/24/08/526062408.db2.gz FFTNBSZHZWWSBI-LAJNKCICSA-N 1 1 318.467 3.550 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000112978317 526559107 /nfs/dbraw/zinc/55/91/07/526559107.db2.gz CYZSGDXDIQODIE-UHFFFAOYSA-N 1 1 310.372 3.815 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000112978317 526559109 /nfs/dbraw/zinc/55/91/09/526559109.db2.gz CYZSGDXDIQODIE-UHFFFAOYSA-N 1 1 310.372 3.815 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)s1 ZINC000131065657 526611947 /nfs/dbraw/zinc/61/19/47/526611947.db2.gz HKPWELDKEKMDKG-OAHLLOKOSA-N 1 1 310.422 3.857 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000112978578 526636658 /nfs/dbraw/zinc/63/66/58/526636658.db2.gz YOFVFRWPIILYKR-UHFFFAOYSA-N 1 1 310.372 3.815 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000112978578 526636663 /nfs/dbraw/zinc/63/66/63/526636663.db2.gz YOFVFRWPIILYKR-UHFFFAOYSA-N 1 1 310.372 3.815 20 30 DHEDMO N#Cc1cccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)c1 ZINC000237796701 526709265 /nfs/dbraw/zinc/70/92/65/526709265.db2.gz QGBPLOZLZHBNAA-UHFFFAOYSA-N 1 1 309.388 3.587 20 30 DHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000249112577 526741967 /nfs/dbraw/zinc/74/19/67/526741967.db2.gz ODTSYAVYIRMXHK-CRAIPNDOSA-N 1 1 311.429 3.541 20 30 DHEDMO Cc1[nH+]ccn1CCCNc1c(C#N)cnc2c(C)cc(F)cc21 ZINC000266213863 527423843 /nfs/dbraw/zinc/42/38/43/527423843.db2.gz GUKGLQZENMMBTH-UHFFFAOYSA-N 1 1 323.375 3.561 20 30 DHEDMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(CC)CCC#N)nc1 ZINC001165048846 721987555 /nfs/dbraw/zinc/98/75/55/721987555.db2.gz PDEVWZAZQNFRIN-QGZVFWFLSA-N 1 1 300.450 3.759 20 30 DHEDMO C=CCCC[N@H+]1CCC[C@]2(CCC(=O)N2CC2CC2)[C@@H]1CC ZINC001209160651 1013048679 /nfs/dbraw/zinc/04/86/79/1013048679.db2.gz AGNPTTJFFKBAKO-HKUYNNGSSA-N 1 1 304.478 3.598 20 30 DHEDMO CCCCCCC/C=C/C[N@H+]1CC[C@@]2(CCC[C@H]2C(N)=O)C1 ZINC001280214059 1013118573 /nfs/dbraw/zinc/11/85/73/1013118573.db2.gz APUOVFISFMFLNQ-ZERCDLRSSA-N 1 1 306.494 3.881 20 30 DHEDMO C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000931177580 1032063361 /nfs/dbraw/zinc/06/33/61/1032063361.db2.gz IPVPIMXTKRUBMF-OTBWCIGPSA-N 1 1 320.477 3.616 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H](C)[C@H](F)C2)c1O ZINC000777968083 1032064060 /nfs/dbraw/zinc/06/40/60/1032064060.db2.gz MBCPFKVYEQUEGV-SUMWQHHRSA-N 1 1 307.409 3.699 20 30 DHEDMO C#CCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001209266844 1013138635 /nfs/dbraw/zinc/13/86/35/1013138635.db2.gz DTNBUFHONOVSAF-QXAKKESOSA-N 1 1 316.514 3.694 20 30 DHEDMO C#CCCC[N@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3cccs3)[C@@H]2C1 ZINC001209266844 1013138641 /nfs/dbraw/zinc/13/86/41/1013138641.db2.gz DTNBUFHONOVSAF-QXAKKESOSA-N 1 1 316.514 3.694 20 30 DHEDMO C#CCCC[N@@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3cccs3)[C@@H]2C1 ZINC001209266844 1013138647 /nfs/dbraw/zinc/13/86/47/1013138647.db2.gz DTNBUFHONOVSAF-QXAKKESOSA-N 1 1 316.514 3.694 20 30 DHEDMO CC[N@@H+](CC1(Br)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000846778857 1032064631 /nfs/dbraw/zinc/06/46/31/1032064631.db2.gz CHSSYUXISJGVCQ-LBPRGKRZSA-N 1 1 307.235 3.869 20 30 DHEDMO C=CCCCCC[N@H+]1CCCN(C(=O)C2CCCCC2)CC1 ZINC001209432888 1013276224 /nfs/dbraw/zinc/27/62/24/1013276224.db2.gz LZKYDPLJNRXFHO-UHFFFAOYSA-N 1 1 306.494 3.847 20 30 DHEDMO C=CCCCCCCCC[N@H+]1CCOC[C@H]1CCC(=O)OC ZINC001209446330 1013294131 /nfs/dbraw/zinc/29/41/31/1013294131.db2.gz WMPAWYLMTCORPH-QGZVFWFLSA-N 1 1 311.466 3.557 20 30 DHEDMO C=CCCCCCCCC[N@@H+]1CCOC[C@H]1CCC(=O)OC ZINC001209446330 1013294139 /nfs/dbraw/zinc/29/41/39/1013294139.db2.gz WMPAWYLMTCORPH-QGZVFWFLSA-N 1 1 311.466 3.557 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)CCc2ccccn2)cc1Cl ZINC000120823659 1013310401 /nfs/dbraw/zinc/31/04/01/1013310401.db2.gz JJQAPAQDVYOZDF-UHFFFAOYSA-N 1 1 316.832 3.974 20 30 DHEDMO C=CC[C@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)c1ccncc1 ZINC000925073791 1013385245 /nfs/dbraw/zinc/38/52/45/1013385245.db2.gz DSMBWNVJHSIHNU-IBGZPJMESA-N 1 1 301.478 3.799 20 30 DHEDMO Cc1nc(N2CCC[C@H](CC#N)C2)cc(Nc2ccccc2)[nH+]1 ZINC000894486961 1013385919 /nfs/dbraw/zinc/38/59/19/1013385919.db2.gz NKVBQOPHHVRVLZ-OAHLLOKOSA-N 1 1 307.401 3.659 20 30 DHEDMO C=CCCC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC001168295787 1032072855 /nfs/dbraw/zinc/07/28/55/1032072855.db2.gz RPOHJCSCHKUFBY-FXAWDEMLSA-N 1 1 315.505 3.889 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1cc(C#N)nc2ccccc21 ZINC000610273507 1013562881 /nfs/dbraw/zinc/56/28/81/1013562881.db2.gz VUJXWAQTQCKNDO-MRXNPFEDSA-N 1 1 322.456 3.595 20 30 DHEDMO COc1cc(F)c([C@@H](C)[NH2+]Cc2ccc(C#N)s2)cc1OC ZINC000176969858 1013691986 /nfs/dbraw/zinc/69/19/86/1013691986.db2.gz HCHHDZYZIPUVLX-SNVBAGLBSA-N 1 1 320.389 3.627 20 30 DHEDMO CCCCCCC[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC001167298255 1013704835 /nfs/dbraw/zinc/70/48/35/1013704835.db2.gz JEYIBQDWUJKZEN-UHFFFAOYSA-N 1 1 324.415 3.693 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn(CC2CCC2)c1 ZINC000895017769 1013775269 /nfs/dbraw/zinc/77/52/69/1013775269.db2.gz GPNFJXBCBGIYJA-HNNXBMFYSA-N 1 1 308.429 3.748 20 30 DHEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328675001 1013791388 /nfs/dbraw/zinc/79/13/88/1013791388.db2.gz QKZZNDWQUWNYRP-FZKCQIBNSA-N 1 1 323.481 3.599 20 30 DHEDMO C[N@@H+](CCNC(=O)c1coc(C2CCCC2)n1)C1CCCCC1 ZINC000328716848 1013794492 /nfs/dbraw/zinc/79/44/92/1013794492.db2.gz UFULUDKDVFRIJO-UHFFFAOYSA-N 1 1 319.449 3.901 20 30 DHEDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1coc(C2CCCCC2)n1 ZINC000328727160 1013796730 /nfs/dbraw/zinc/79/67/30/1013796730.db2.gz CZWFKUBABUJRFK-CYBMUJFWSA-N 1 1 317.433 3.511 20 30 DHEDMO CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000328816817 1013798671 /nfs/dbraw/zinc/79/86/71/1013798671.db2.gz CYJZLMGXUOACIJ-CYBMUJFWSA-N 1 1 319.449 3.765 20 30 DHEDMO N#CC1(NC(=O)C[N@H+]2CCCC23CCCCC3)CCCCC1 ZINC000328878487 1013803793 /nfs/dbraw/zinc/80/37/93/1013803793.db2.gz JFMWJCWJLGCWES-UHFFFAOYSA-N 1 1 303.450 3.968 20 30 DHEDMO CC[N@H+]1CCC[C@H](NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)C1 ZINC000330503174 1013821913 /nfs/dbraw/zinc/82/19/13/1013821913.db2.gz DRADUWZYPJAVSO-AWEZNQCLSA-N 1 1 320.481 3.550 20 30 DHEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1c(C)noc1C(C)C ZINC000330732063 1013838123 /nfs/dbraw/zinc/83/81/23/1013838123.db2.gz JMDJBFPBUSLEIW-AWEZNQCLSA-N 1 1 307.438 3.676 20 30 DHEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(C(C)(C)C)on2)C1 ZINC000330906889 1013846172 /nfs/dbraw/zinc/84/61/72/1013846172.db2.gz SPNGWPNLYZPKPP-ZDUSSCGKSA-N 1 1 321.465 3.787 20 30 DHEDMO COc1cc(C)cc(NC(=O)NCC[N@H+]2CCCC[C@H]2C)c1C ZINC000331103065 1013857345 /nfs/dbraw/zinc/85/73/45/1013857345.db2.gz DXAFGGCTHBQQFX-CQSZACIVSA-N 1 1 319.449 3.512 20 30 DHEDMO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(Br)cc2C#N)C1 ZINC000311142708 1021907650 /nfs/dbraw/zinc/90/76/50/1021907650.db2.gz LNDRNJKXMWVPSG-RYUDHWBXSA-N 1 1 307.235 3.799 20 30 DHEDMO C=CCC(F)(F)c1nc(CCCCn2c[nH+]c(C)c2C)no1 ZINC000656038716 1013943807 /nfs/dbraw/zinc/94/38/07/1013943807.db2.gz AMCJWZRPYYIIMH-UHFFFAOYSA-N 1 1 310.348 3.574 20 30 DHEDMO CN(CC[N@H+](C)Cc1ccc(Cl)cc1C#N)c1ccccc1 ZINC001167353399 1014031523 /nfs/dbraw/zinc/03/15/23/1014031523.db2.gz IMHYUTLCYXIZFQ-UHFFFAOYSA-N 1 1 313.832 3.780 20 30 DHEDMO CN(CC[N@@H+](C)Cc1ccc(Cl)cc1C#N)c1ccccc1 ZINC001167353399 1014031527 /nfs/dbraw/zinc/03/15/27/1014031527.db2.gz IMHYUTLCYXIZFQ-UHFFFAOYSA-N 1 1 313.832 3.780 20 30 DHEDMO CC[N@@H+](Cc1ccnc(N(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000782176595 1014079591 /nfs/dbraw/zinc/07/95/91/1014079591.db2.gz WQAUAGBDDMYKLN-OAHLLOKOSA-N 1 1 308.429 3.602 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCOCc2ccccc2)cc1 ZINC000091937007 1014118400 /nfs/dbraw/zinc/11/84/00/1014118400.db2.gz CLUIMOUTSHGWQS-KRWDZBQOSA-N 1 1 324.424 3.626 20 30 DHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](C(C)C)CC2)c1C#N ZINC001167424469 1014256705 /nfs/dbraw/zinc/25/67/05/1014256705.db2.gz JZOOJHFRHPREHW-OAHLLOKOSA-N 1 1 314.429 3.603 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c[nH]nc2c1 ZINC000119252347 1014270892 /nfs/dbraw/zinc/27/08/92/1014270892.db2.gz KADUXSQIEWAJCY-UHFFFAOYSA-N 1 1 304.397 3.847 20 30 DHEDMO CCC[N@H+](Cc1nc2ccccc2[nH]1)Cc1ccc(C#N)cc1 ZINC000119270048 1014278182 /nfs/dbraw/zinc/27/81/82/1014278182.db2.gz INKDNGREZJTNHW-UHFFFAOYSA-N 1 1 304.397 3.847 20 30 DHEDMO CCC[N@@H+](Cc1nc2ccccc2[nH]1)Cc1ccc(C#N)cc1 ZINC000119270048 1014278193 /nfs/dbraw/zinc/27/81/93/1014278193.db2.gz INKDNGREZJTNHW-UHFFFAOYSA-N 1 1 304.397 3.847 20 30 DHEDMO Cc1cccc(C)c1C[N@H+](CCN(C)C)Cc1ccc(C#N)cc1 ZINC000580740702 1014326547 /nfs/dbraw/zinc/32/65/47/1014326547.db2.gz VQYQLTPQAXPFJJ-UHFFFAOYSA-N 1 1 321.468 3.739 20 30 DHEDMO Cc1cccc(C)c1C[N@@H+](CCN(C)C)Cc1ccc(C#N)cc1 ZINC000580740702 1014326560 /nfs/dbraw/zinc/32/65/60/1014326560.db2.gz VQYQLTPQAXPFJJ-UHFFFAOYSA-N 1 1 321.468 3.739 20 30 DHEDMO C=CCOc1ccccc1C[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000093442543 1014347288 /nfs/dbraw/zinc/34/72/88/1014347288.db2.gz IEVWMPDZFCXBEB-LJQANCHMSA-N 1 1 311.425 3.807 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC2(CCC2)O1 ZINC000580833673 1014394541 /nfs/dbraw/zinc/39/45/41/1014394541.db2.gz DDFRBWHIJDQTOP-INIZCTEOSA-N 1 1 314.429 3.513 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C2(CC2)C1 ZINC001141662413 1014452561 /nfs/dbraw/zinc/45/25/61/1014452561.db2.gz IVFUEDIPHGFETD-NSHDSACASA-N 1 1 305.219 3.695 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1c1cccc(F)c1C#N ZINC000610468819 1014467418 /nfs/dbraw/zinc/46/74/18/1014467418.db2.gz FWSNFKDYGLFJOB-INIZCTEOSA-N 1 1 323.415 3.798 20 30 DHEDMO C=CCC[C@H](C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000427809908 1014530299 /nfs/dbraw/zinc/53/02/99/1014530299.db2.gz WRUNAQYIPKNYKY-MOPGFXCFSA-N 1 1 314.473 3.725 20 30 DHEDMO Cc1cc2c(cc1Br)C[N@@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000933127736 1014675311 /nfs/dbraw/zinc/67/53/11/1014675311.db2.gz HZSKBSODCXGSOP-WFASDCNBSA-N 1 1 319.246 3.808 20 30 DHEDMO Cc1cc2c(cc1Br)C[N@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000933127736 1014675319 /nfs/dbraw/zinc/67/53/19/1014675319.db2.gz HZSKBSODCXGSOP-WFASDCNBSA-N 1 1 319.246 3.808 20 30 DHEDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)c(OC)c2)c1 ZINC000442808636 1014742187 /nfs/dbraw/zinc/74/21/87/1014742187.db2.gz IBYQONHZPQGWQY-IBGZPJMESA-N 1 1 322.408 3.913 20 30 DHEDMO CC[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H](O)c1ccc(C)cc1 ZINC000160871285 1014748681 /nfs/dbraw/zinc/74/86/81/1014748681.db2.gz INQMYIYJDPZWIT-LJQANCHMSA-N 1 1 312.388 3.561 20 30 DHEDMO CC[N@H+](Cc1cc(F)ccc1C#N)C[C@@H](O)c1ccc(C)cc1 ZINC000160871285 1014748694 /nfs/dbraw/zinc/74/86/94/1014748694.db2.gz INQMYIYJDPZWIT-LJQANCHMSA-N 1 1 312.388 3.561 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)ccc1C#N ZINC000442888355 1014762436 /nfs/dbraw/zinc/76/24/36/1014762436.db2.gz GCDLCWWLDVZQHA-HNAYVOBHSA-N 1 1 306.409 3.945 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C#N)c(OC)c3)C2)cc1 ZINC000442885808 1014762466 /nfs/dbraw/zinc/76/24/66/1014762466.db2.gz OPOSRQFJXMYNPP-GOSISDBHSA-N 1 1 322.408 3.565 20 30 DHEDMO C=CCN(Cc1ncc(C[NH+](C)C)s1)CC1CCCCC1 ZINC000347873276 1014793595 /nfs/dbraw/zinc/79/35/95/1014793595.db2.gz UEBCFGSWBXXCCO-UHFFFAOYSA-N 1 1 307.507 3.773 20 30 DHEDMO COCC[N@@H+](CCOc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000521858703 1014816564 /nfs/dbraw/zinc/81/65/64/1014816564.db2.gz JKMYEOYVXHNBKI-QGZVFWFLSA-N 1 1 324.424 3.647 20 30 DHEDMO N#Cc1cc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)ccc1F ZINC000119373526 1014931209 /nfs/dbraw/zinc/93/12/09/1014931209.db2.gz DFIGPQNVRHQABG-UHFFFAOYSA-N 1 1 310.372 3.815 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000895206241 1014941255 /nfs/dbraw/zinc/94/12/55/1014941255.db2.gz WQLODAMJTJPZLN-ZDUSSCGKSA-N 1 1 320.458 3.940 20 30 DHEDMO C=CC[N@H+](Cc1cnn(CC(C)C)c1)Cc1ccc(OC)cc1 ZINC000341170375 1014955676 /nfs/dbraw/zinc/95/56/76/1014955676.db2.gz BTHYCVVHQNOHTO-UHFFFAOYSA-N 1 1 313.445 3.736 20 30 DHEDMO C=CC[N@@H+](Cc1cnn(CC(C)C)c1)Cc1ccc(OC)cc1 ZINC000341170375 1014955684 /nfs/dbraw/zinc/95/56/84/1014955684.db2.gz BTHYCVVHQNOHTO-UHFFFAOYSA-N 1 1 313.445 3.736 20 30 DHEDMO COc1ccc2cc(C[N@H+](C)C[C@@H](C#N)CCC#N)ccc2c1 ZINC000025233886 1015012877 /nfs/dbraw/zinc/01/28/77/1015012877.db2.gz UXIUGJJZNUQQGD-MRXNPFEDSA-N 1 1 307.397 3.724 20 30 DHEDMO COc1ccc2cc(C[N@@H+](C)C[C@@H](C#N)CCC#N)ccc2c1 ZINC000025233886 1015012892 /nfs/dbraw/zinc/01/28/92/1015012892.db2.gz UXIUGJJZNUQQGD-MRXNPFEDSA-N 1 1 307.397 3.724 20 30 DHEDMO CCC[C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000341222951 1015028222 /nfs/dbraw/zinc/02/82/22/1015028222.db2.gz FQSCHSGRUQMBKL-CQSZACIVSA-N 1 1 321.852 3.707 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000276383070 1015038337 /nfs/dbraw/zinc/03/83/37/1015038337.db2.gz IJRZOVHKCWURDF-UHFFFAOYSA-N 1 1 320.742 3.805 20 30 DHEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H](C)C1 ZINC000443642159 1015061137 /nfs/dbraw/zinc/06/11/37/1015061137.db2.gz NGVPQPCNFVANNW-OLZOCXBDSA-N 1 1 319.836 3.518 20 30 DHEDMO Cc1cc(C)c(C#N)c(NCCC[N@H+](C)C2CCCCC2)n1 ZINC000386688228 1015083004 /nfs/dbraw/zinc/08/30/04/1015083004.db2.gz KSMDRXKMGBBZLS-UHFFFAOYSA-N 1 1 300.450 3.637 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3cnc(Cl)c(F)c3)CC2)c1 ZINC000846847069 1032110309 /nfs/dbraw/zinc/11/03/09/1032110309.db2.gz XMWHBOMYPUJKKP-UHFFFAOYSA-N 1 1 301.752 3.525 20 30 DHEDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)c1 ZINC000127223363 1015166162 /nfs/dbraw/zinc/16/61/62/1015166162.db2.gz ZKWNSYHAGCYYHT-GFCCVEGCSA-N 1 1 311.360 3.507 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000395061849 1015168660 /nfs/dbraw/zinc/16/86/60/1015168660.db2.gz JQNBMJIAXPLRKB-HNNXBMFYSA-N 1 1 307.397 3.580 20 30 DHEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000665391853 1015172275 /nfs/dbraw/zinc/17/22/75/1015172275.db2.gz LPMDRQBKKMHXRR-BDXSIMOUSA-N 1 1 321.509 3.636 20 30 DHEDMO COc1cccc2sc(NC(=O)C[N@@H+]3CCC[C@@H](C)C3)nc21 ZINC000051150510 1015186447 /nfs/dbraw/zinc/18/64/47/1015186447.db2.gz OMMBWKYGZIPOGF-LLVKDONJSA-N 1 1 319.430 3.625 20 30 DHEDMO COc1cccc2sc(NC(=O)C[N@H+]3CCC[C@@H](C)C3)nc21 ZINC000051150510 1015186453 /nfs/dbraw/zinc/18/64/53/1015186453.db2.gz OMMBWKYGZIPOGF-LLVKDONJSA-N 1 1 319.430 3.625 20 30 DHEDMO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000474270833 1015233153 /nfs/dbraw/zinc/23/31/53/1015233153.db2.gz DHXCKUUMRXGMFN-UHFFFAOYSA-N 1 1 321.424 3.797 20 30 DHEDMO COCCCC1(C[N@@H+](C)CCc2cccc(C#N)c2)CCC1 ZINC000895786224 1015300631 /nfs/dbraw/zinc/30/06/31/1015300631.db2.gz NZPUKDHEELMDCW-UHFFFAOYSA-N 1 1 300.446 3.629 20 30 DHEDMO COc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)ccc1C#N ZINC000895788469 1015302143 /nfs/dbraw/zinc/30/21/43/1015302143.db2.gz WSKMVOXDUQHVJI-HOCLYGCPSA-N 1 1 324.346 3.731 20 30 DHEDMO C=CCCn1cc(C[NH2+][C@@H]2CCc3cccc4cccc2c43)nn1 ZINC000895933858 1015368472 /nfs/dbraw/zinc/36/84/72/1015368472.db2.gz GXSYFRMYHKQELO-LJQANCHMSA-N 1 1 318.424 3.785 20 30 DHEDMO CCC1(C)CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000337697567 1015369896 /nfs/dbraw/zinc/36/98/96/1015369896.db2.gz ULXQCEZKMSXBIT-CYBMUJFWSA-N 1 1 317.433 3.607 20 30 DHEDMO CCCC[N@@H+](CCOC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000558569291 1015393084 /nfs/dbraw/zinc/39/30/84/1015393084.db2.gz FOGGHRQYDNQVJZ-UHFFFAOYSA-N 1 1 314.351 3.826 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCOCC3(CC3)C2)cc1Cl ZINC000341524584 1015432536 /nfs/dbraw/zinc/43/25/36/1015432536.db2.gz HEVGBBWARKGDNC-UHFFFAOYSA-N 1 1 307.821 3.517 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCOCC3(CC3)C2)cc1Cl ZINC000341524584 1015432543 /nfs/dbraw/zinc/43/25/43/1015432543.db2.gz HEVGBBWARKGDNC-UHFFFAOYSA-N 1 1 307.821 3.517 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2cnn(C3CCC3)c2)C2CC2)cc1 ZINC000891596187 1015434981 /nfs/dbraw/zinc/43/49/81/1015434981.db2.gz OFAUDZHGGNELLP-UHFFFAOYSA-N 1 1 306.413 3.644 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cnn(C3CCC3)c2)C2CC2)cc1 ZINC000891596187 1015434987 /nfs/dbraw/zinc/43/49/87/1015434987.db2.gz OFAUDZHGGNELLP-UHFFFAOYSA-N 1 1 306.413 3.644 20 30 DHEDMO CC(C)CC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000135303787 1015442649 /nfs/dbraw/zinc/44/26/49/1015442649.db2.gz AWBLVJWXQVYBDL-KRWDZBQOSA-N 1 1 313.445 3.787 20 30 DHEDMO CC[N@@H+](Cc1cnn(C)c1C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000891655247 1015492713 /nfs/dbraw/zinc/49/27/13/1015492713.db2.gz GCOWQQOENMQZMI-AWEZNQCLSA-N 1 1 308.429 3.752 20 30 DHEDMO CCC[N@H+](Cc1nc2cccnc2s1)Cc1ccc(C#N)cc1 ZINC000341585047 1015553596 /nfs/dbraw/zinc/55/35/96/1015553596.db2.gz NIUZZARGFBTFBR-UHFFFAOYSA-N 1 1 322.437 3.975 20 30 DHEDMO CCC[N@@H+](Cc1nc2cccnc2s1)Cc1ccc(C#N)cc1 ZINC000341585047 1015553601 /nfs/dbraw/zinc/55/36/01/1015553601.db2.gz NIUZZARGFBTFBR-UHFFFAOYSA-N 1 1 322.437 3.975 20 30 DHEDMO C=CCCCN(C)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474824946 1015621589 /nfs/dbraw/zinc/62/15/89/1015621589.db2.gz XOEINHFIFJDEGL-GOSISDBHSA-N 1 1 318.436 3.605 20 30 DHEDMO C=CCCCN(C)C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474824946 1015621596 /nfs/dbraw/zinc/62/15/96/1015621596.db2.gz XOEINHFIFJDEGL-GOSISDBHSA-N 1 1 318.436 3.605 20 30 DHEDMO Cc1nn(C)cc1[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000329172222 1015653385 /nfs/dbraw/zinc/65/33/85/1015653385.db2.gz ACWQHDGBOOAOQF-SUMWQHHRSA-N 1 1 318.465 3.543 20 30 DHEDMO CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)n1C ZINC000329199830 1015658270 /nfs/dbraw/zinc/65/82/70/1015658270.db2.gz VYGVRTMYBRNODG-NUEKZKHPSA-N 1 1 318.465 3.549 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C2CCCCC2)c1C#N ZINC000610655769 1015692424 /nfs/dbraw/zinc/69/24/24/1015692424.db2.gz OMWZUMKVHBXUPI-UHFFFAOYSA-N 1 1 308.429 3.817 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)C2CCCCC2)c1C#N ZINC000610655769 1015692426 /nfs/dbraw/zinc/69/24/26/1015692426.db2.gz OMWZUMKVHBXUPI-UHFFFAOYSA-N 1 1 308.429 3.817 20 30 DHEDMO CC[C@@H]1CCCC[N@@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000610655639 1015692810 /nfs/dbraw/zinc/69/28/10/1015692810.db2.gz RVKVGTCJRMLTJO-MRXNPFEDSA-N 1 1 308.429 3.817 20 30 DHEDMO CC[C@@H]1CCCC[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000610655639 1015692813 /nfs/dbraw/zinc/69/28/13/1015692813.db2.gz RVKVGTCJRMLTJO-MRXNPFEDSA-N 1 1 308.429 3.817 20 30 DHEDMO COc1cccc([C@H](C)[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000341813280 1015747103 /nfs/dbraw/zinc/74/71/03/1015747103.db2.gz JRQUSURHBRCFDZ-YWZLYKJASA-N 1 1 322.408 3.701 20 30 DHEDMO COc1cccc([C@H](C)[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000341813280 1015747109 /nfs/dbraw/zinc/74/71/09/1015747109.db2.gz JRQUSURHBRCFDZ-YWZLYKJASA-N 1 1 322.408 3.701 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000610728751 1015748966 /nfs/dbraw/zinc/74/89/66/1015748966.db2.gz HKMLBWXZNDKAMX-IBGZPJMESA-N 1 1 310.372 3.661 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000610728751 1015748972 /nfs/dbraw/zinc/74/89/72/1015748972.db2.gz HKMLBWXZNDKAMX-IBGZPJMESA-N 1 1 310.372 3.661 20 30 DHEDMO CC(C)(C)c1cc[nH+]c(N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC000896873750 1015792667 /nfs/dbraw/zinc/79/26/67/1015792667.db2.gz WFJPIONYBRIERS-GOSISDBHSA-N 1 1 321.424 3.829 20 30 DHEDMO C=CCC[C@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458226606 1015831097 /nfs/dbraw/zinc/83/10/97/1015831097.db2.gz SVFGJLGGSSRCGC-MJGOQNOKSA-N 1 1 314.473 3.585 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOc2ccccc2C1 ZINC000610859166 1015895934 /nfs/dbraw/zinc/89/59/34/1015895934.db2.gz GCVFSWRSBKOUBC-UHFFFAOYSA-N 1 1 306.409 3.882 20 30 DHEDMO CC(C)CC(N)=[NH+]OCc1csc(Cc2ccccc2)n1 ZINC000065204181 1015960569 /nfs/dbraw/zinc/96/05/69/1015960569.db2.gz MBDNAAUQWGQUIM-UHFFFAOYSA-N 1 1 303.431 3.569 20 30 DHEDMO COc1ccc2cc(C[N@@H+](C)Cc3ccnc(C#N)c3)ccc2c1 ZINC000610991373 1015992418 /nfs/dbraw/zinc/99/24/18/1015992418.db2.gz LVFMPHYVBOFFFW-UHFFFAOYSA-N 1 1 317.392 3.747 20 30 DHEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994445 1016005710 /nfs/dbraw/zinc/00/57/10/1016005710.db2.gz HZISOVWJCKEPAW-HXUWFJFHSA-N 1 1 305.425 3.798 20 30 DHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccnc(C#N)c2)C12CCCCC2 ZINC000610994030 1016005772 /nfs/dbraw/zinc/00/57/72/1016005772.db2.gz RPADLBKOBASKLH-QZTJIDSGSA-N 1 1 313.445 3.513 20 30 DHEDMO C#CC[N@@H+](CC#CC)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC001167505494 1016172148 /nfs/dbraw/zinc/17/21/48/1016172148.db2.gz SWKRFBAPRJDYSE-UHFFFAOYSA-N 1 1 321.395 3.863 20 30 DHEDMO C#CC[N@H+](CC#CC)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC001167505494 1016172154 /nfs/dbraw/zinc/17/21/54/1016172154.db2.gz SWKRFBAPRJDYSE-UHFFFAOYSA-N 1 1 321.395 3.863 20 30 DHEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000934182980 1016189555 /nfs/dbraw/zinc/18/95/55/1016189555.db2.gz PAWVIYYUENLQOO-YQVWRLOYSA-N 1 1 314.473 3.616 20 30 DHEDMO CCC[N@@H+](CCOCCC#N)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001167533762 1016306000 /nfs/dbraw/zinc/30/60/00/1016306000.db2.gz LAEYVSXOQFAMPB-ZWKOTPCHSA-N 1 1 322.493 3.757 20 30 DHEDMO CCC[N@@H+](CCOCCC#N)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001167533760 1016306933 /nfs/dbraw/zinc/30/69/33/1016306933.db2.gz LAEYVSXOQFAMPB-QZTJIDSGSA-N 1 1 322.493 3.757 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000346577999 1016463458 /nfs/dbraw/zinc/46/34/58/1016463458.db2.gz WUFRATXZMTUIFB-FQEVSTJZSA-N 1 1 304.393 3.580 20 30 DHEDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000481376741 1034788659 /nfs/dbraw/zinc/78/86/59/1034788659.db2.gz XERHBAUKLKQOEY-ABAIWWIYSA-N 1 1 307.235 3.941 20 30 DHEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)C3(C#N)CCCC3)c2C1 ZINC000158357326 1016583192 /nfs/dbraw/zinc/58/31/92/1016583192.db2.gz PGGKFVGGHPKLGA-UHFFFAOYSA-N 1 1 311.429 3.681 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](CCC)C1CC1 ZINC000171681324 1016588512 /nfs/dbraw/zinc/58/85/12/1016588512.db2.gz XYTLGLLFTOVDBJ-UHFFFAOYSA-N 1 1 304.459 3.778 20 30 DHEDMO Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000582373547 1016636854 /nfs/dbraw/zinc/63/68/54/1016636854.db2.gz XTZYIFOIRHHYGJ-SWLSCSKDSA-N 1 1 307.235 3.882 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1ccccc1OC ZINC000158185738 1016674633 /nfs/dbraw/zinc/67/46/33/1016674633.db2.gz GRGZEZQUWJBVFR-SFHVURJKSA-N 1 1 322.408 3.913 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+][C@@H](COc1ccccc1)c1ccccc1 ZINC000582416186 1016727122 /nfs/dbraw/zinc/72/71/22/1016727122.db2.gz ZMJQGYQZVBXGDV-XLIONFOSSA-N 1 1 319.408 3.840 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1cnc2n1CCC2)c1ccc(F)c(F)c1 ZINC000657435909 1016782372 /nfs/dbraw/zinc/78/23/72/1016782372.db2.gz HLLPRFGBZMZMFE-QGZVFWFLSA-N 1 1 303.356 3.515 20 30 DHEDMO N#Cc1c(F)cccc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281895669 1016783624 /nfs/dbraw/zinc/78/36/24/1016783624.db2.gz MJXKXYKAHLRPTJ-CQSZACIVSA-N 1 1 324.403 3.614 20 30 DHEDMO N#Cc1csc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000158569754 1016953657 /nfs/dbraw/zinc/95/36/57/1016953657.db2.gz KFZOSLUIURCVIM-UHFFFAOYSA-N 1 1 317.845 3.595 20 30 DHEDMO C=CCCC1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000475107549 1016972557 /nfs/dbraw/zinc/97/25/57/1016972557.db2.gz FTXYHEVDWBVUND-UHFFFAOYSA-N 1 1 318.505 3.847 20 30 DHEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cccc(C#N)n1 ZINC000346203057 1016992897 /nfs/dbraw/zinc/99/28/97/1016992897.db2.gz ZHEXPPQHXNLASW-SFHVURJKSA-N 1 1 308.429 3.522 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2c(F)cccc2OC(F)F)cc1 ZINC000072927006 1016995544 /nfs/dbraw/zinc/99/55/44/1016995544.db2.gz JLRRCCCRTGOKLY-UHFFFAOYSA-N 1 1 306.287 3.589 20 30 DHEDMO N#CCc1ccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000342692737 1017020920 /nfs/dbraw/zinc/02/09/20/1017020920.db2.gz LHAAURXASDLMNF-LJQANCHMSA-N 1 1 310.397 3.527 20 30 DHEDMO C[N@H+](Cc1nc2ccccc2s1)Cc1ccc(CC#N)cc1 ZINC000342692766 1017021129 /nfs/dbraw/zinc/02/11/29/1017021129.db2.gz LMYCNBHVXOCSEI-UHFFFAOYSA-N 1 1 307.422 3.994 20 30 DHEDMO C[N@@H+](Cc1nc2ccccc2s1)Cc1ccc(CC#N)cc1 ZINC000342692766 1017021142 /nfs/dbraw/zinc/02/11/42/1017021142.db2.gz LMYCNBHVXOCSEI-UHFFFAOYSA-N 1 1 307.422 3.994 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000186241907 1017059348 /nfs/dbraw/zinc/05/93/48/1017059348.db2.gz GKZJABOESNFNQB-HXUWFJFHSA-N 1 1 320.436 3.905 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000847025738 1032182603 /nfs/dbraw/zinc/18/26/03/1032182603.db2.gz ONWNZWCXINGIQE-CHWSQXEVSA-N 1 1 315.804 3.796 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000847025738 1032182612 /nfs/dbraw/zinc/18/26/12/1032182612.db2.gz ONWNZWCXINGIQE-CHWSQXEVSA-N 1 1 315.804 3.796 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000847026202 1032184816 /nfs/dbraw/zinc/18/48/16/1032184816.db2.gz OXWQELQKDMJSLL-QGZVFWFLSA-N 1 1 306.409 3.506 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000847027572 1032185460 /nfs/dbraw/zinc/18/54/60/1032185460.db2.gz UTUNSDUBMSIAAI-HOTGVXAUSA-N 1 1 309.413 3.760 20 30 DHEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000117877635 1032228693 /nfs/dbraw/zinc/22/86/93/1032228693.db2.gz AFHGRIWDUGZTSO-KRWDZBQOSA-N 1 1 315.461 3.795 20 30 DHEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000117878614 1032230432 /nfs/dbraw/zinc/23/04/32/1032230432.db2.gz ZQDBPVXHXYLLLQ-OAHLLOKOSA-N 1 1 319.424 3.625 20 30 DHEDMO C=C(C)C[N@H+](CC)C1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001171280630 1032236328 /nfs/dbraw/zinc/23/63/28/1032236328.db2.gz VHBWLLDVSQFYSV-DFNIBXOVSA-N 1 1 312.457 3.720 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CC[C@@H](C)C1 ZINC000362170812 1032259396 /nfs/dbraw/zinc/25/93/96/1032259396.db2.gz SSRHTZDBIJSNBI-CJNGLKHVSA-N 1 1 306.837 3.849 20 30 DHEDMO C[C@@H]1C[C@@H](N2CCC[C@H](C#N)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059391 1017070236 /nfs/dbraw/zinc/07/02/36/1017070236.db2.gz FDJUQORTBTUMHX-PIKOESSRSA-N 1 1 311.473 3.664 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000794411355 1032288093 /nfs/dbraw/zinc/28/80/93/1032288093.db2.gz DEPAKCKVJUXNQD-UXHICEINSA-N 1 1 324.399 3.785 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(OC)ccc1OC ZINC000119656693 1032312306 /nfs/dbraw/zinc/31/23/06/1032312306.db2.gz CDSCJIGXPQCSLQ-UHFFFAOYSA-N 1 1 322.408 3.764 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(OC)ccc1OC ZINC000119656693 1032312319 /nfs/dbraw/zinc/31/23/19/1032312319.db2.gz CDSCJIGXPQCSLQ-UHFFFAOYSA-N 1 1 322.408 3.764 20 30 DHEDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000537624543 1032327861 /nfs/dbraw/zinc/32/78/61/1032327861.db2.gz YEWBHPBHEXMCKX-MRXNPFEDSA-N 1 1 310.445 3.854 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000119871523 1032328145 /nfs/dbraw/zinc/32/81/45/1032328145.db2.gz UZMPKKBRUFGURF-GFCCVEGCSA-N 1 1 312.360 3.513 20 30 DHEDMO C=CCOc1ccccc1CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000537632415 1032395585 /nfs/dbraw/zinc/39/55/85/1032395585.db2.gz UCSLYXSKCATKCP-GOSISDBHSA-N 1 1 302.462 3.558 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccc(N2CCCC2)nc1 ZINC000093101005 1032523563 /nfs/dbraw/zinc/52/35/63/1032523563.db2.gz KNGMKQWKYUMENL-UHFFFAOYSA-N 1 1 314.477 3.834 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(N2CCCC2)nc1 ZINC000093101005 1032523567 /nfs/dbraw/zinc/52/35/67/1032523567.db2.gz KNGMKQWKYUMENL-UHFFFAOYSA-N 1 1 314.477 3.834 20 30 DHEDMO C=CCOc1ccc(C[N@H+](CCCCO)C2CC2)cc1Cl ZINC000093383006 1032532276 /nfs/dbraw/zinc/53/22/76/1032532276.db2.gz LLJZRDNPOUJQCQ-UHFFFAOYSA-N 1 1 309.837 3.642 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171384212 1032559337 /nfs/dbraw/zinc/55/93/37/1032559337.db2.gz UYQYTLQFLQDRQR-QGZVFWFLSA-N 1 1 312.363 3.826 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC001171399645 1032583115 /nfs/dbraw/zinc/58/31/15/1032583115.db2.gz LJDLPZXOICLMJV-LBPRGKRZSA-N 1 1 313.332 3.799 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC001171399645 1032583125 /nfs/dbraw/zinc/58/31/25/1032583125.db2.gz LJDLPZXOICLMJV-LBPRGKRZSA-N 1 1 313.332 3.799 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424755788 1012126153 /nfs/dbraw/zinc/12/61/53/1012126153.db2.gz AERPOWINLFETTJ-SJLPKXTDSA-N 1 1 314.473 3.616 20 30 DHEDMO C=C(C)C(C)(C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425041564 1012197205 /nfs/dbraw/zinc/19/72/05/1012197205.db2.gz OVTOLSVFFMTHJN-UHFFFAOYSA-N 1 1 321.490 3.841 20 30 DHEDMO C#CC(=O)N1CCC[C@]2(CCC[N@H+](C[C@@H](CC)CCCC)C2)C1 ZINC001269942579 1012471265 /nfs/dbraw/zinc/47/12/65/1012471265.db2.gz UHFMKNGSVISICO-ICSRJNTNSA-N 1 1 318.505 3.541 20 30 DHEDMO CCOC(=O)c1coc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425365479 1012492129 /nfs/dbraw/zinc/49/21/29/1012492129.db2.gz KWGCPHJBVWXKRA-CYBMUJFWSA-N 1 1 312.369 3.521 20 30 DHEDMO CCOC(=O)c1coc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425365479 1012492136 /nfs/dbraw/zinc/49/21/36/1012492136.db2.gz KWGCPHJBVWXKRA-CYBMUJFWSA-N 1 1 312.369 3.521 20 30 DHEDMO Cc1cc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)ccc1C#N ZINC000425367611 1012496111 /nfs/dbraw/zinc/49/61/11/1012496111.db2.gz CEMYYJPMIZNVSJ-LJQANCHMSA-N 1 1 310.441 3.648 20 30 DHEDMO C=C(C)COc1cc(C[NH+]2CC(CC(F)F)C2)ccc1OC ZINC000425366163 1012497296 /nfs/dbraw/zinc/49/72/96/1012497296.db2.gz OKDAXLQREKBQAC-UHFFFAOYSA-N 1 1 311.372 3.737 20 30 DHEDMO C=CC[C@@H](C)C(=O)N1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001269959771 1012520856 /nfs/dbraw/zinc/52/08/56/1012520856.db2.gz IXVWPZKAARZFLG-YLJYHZDGSA-N 1 1 318.505 3.846 20 30 DHEDMO CCCC[C@H](C)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000514974760 1012522586 /nfs/dbraw/zinc/52/25/86/1012522586.db2.gz JKSKOSBTPHMROG-YJBOKZPZSA-N 1 1 313.445 3.564 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000154293112 1012649936 /nfs/dbraw/zinc/64/99/36/1012649936.db2.gz KLVHNWVASNXNNH-UHFFFAOYSA-N 1 1 313.382 3.693 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000154293112 1012649942 /nfs/dbraw/zinc/64/99/42/1012649942.db2.gz KLVHNWVASNXNNH-UHFFFAOYSA-N 1 1 313.382 3.693 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000187693022 1012698114 /nfs/dbraw/zinc/69/81/14/1012698114.db2.gz HCDMGMFQGIQQKH-QAPCUYQASA-N 1 1 320.502 3.679 20 30 DHEDMO C[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)[C@@H]1C(=O)OC(C)(C)C ZINC000425521618 1012725758 /nfs/dbraw/zinc/72/57/58/1012725758.db2.gz KKDFFNAPYSUNMO-GJZGRUSLSA-N 1 1 308.466 3.759 20 30 DHEDMO CCOC(=O)CC(C)(C)CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425532732 1012732223 /nfs/dbraw/zinc/73/22/23/1012732223.db2.gz JXJLXGWUYIIFPZ-HNNXBMFYSA-N 1 1 316.445 3.921 20 30 DHEDMO COC(=O)c1ccccc1CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425530997 1012735563 /nfs/dbraw/zinc/73/55/63/1012735563.db2.gz GRBHZIHGWUUVAU-HNNXBMFYSA-N 1 1 322.408 3.580 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccc2c(c1)OCCO2 ZINC000425535703 1012738393 /nfs/dbraw/zinc/73/83/93/1012738393.db2.gz NWZZXFRNXKQWRN-OAHLLOKOSA-N 1 1 322.408 3.565 20 30 DHEDMO CCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001270134265 1012775510 /nfs/dbraw/zinc/77/55/10/1012775510.db2.gz KKRCJWDKFFKNDA-HDICACEKSA-N 1 1 306.494 3.965 20 30 DHEDMO C=CCN(CC[N@H+]1CCC[C@@H]1c1cccc(C)c1)C(=O)OCC ZINC001209017808 1012872604 /nfs/dbraw/zinc/87/26/04/1012872604.db2.gz XOFQDSNQLHSHHF-GOSISDBHSA-N 1 1 316.445 3.776 20 30 DHEDMO C=C(C)COc1cc(C[N@H+](C)C2CC(OCC)C2)ccc1OC ZINC000516997263 1012885410 /nfs/dbraw/zinc/88/54/10/1012885410.db2.gz DCMBRIJRTQNTLY-UHFFFAOYSA-N 1 1 319.445 3.649 20 30 DHEDMO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CC[C@H]1c1ccccc1 ZINC000517478593 1012993672 /nfs/dbraw/zinc/99/36/72/1012993672.db2.gz NHEHHJAAZXYDLE-FXAWDEMLSA-N 1 1 305.425 3.969 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000517562349 1013011172 /nfs/dbraw/zinc/01/11/72/1013011172.db2.gz LZMVXIBBSVXEST-IEBWSBKVSA-N 1 1 312.457 3.879 20 30 DHEDMO Cc1cc(C#N)ccc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000186328447 1017165002 /nfs/dbraw/zinc/16/50/02/1017165002.db2.gz FLSFXXGBGLKMJY-VQIMIIECSA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1cc(C#N)ccc1CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000186328447 1017165007 /nfs/dbraw/zinc/16/50/07/1017165007.db2.gz FLSFXXGBGLKMJY-VQIMIIECSA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1cc(C#N)ccc1CN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000186328447 1017165016 /nfs/dbraw/zinc/16/50/16/1017165016.db2.gz FLSFXXGBGLKMJY-VQIMIIECSA-N 1 1 311.473 3.609 20 30 DHEDMO CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046519151 1017208455 /nfs/dbraw/zinc/20/84/55/1017208455.db2.gz VQIWDECFEFCYRF-OAHLLOKOSA-N 1 1 321.424 3.580 20 30 DHEDMO CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046519151 1017208461 /nfs/dbraw/zinc/20/84/61/1017208461.db2.gz VQIWDECFEFCYRF-OAHLLOKOSA-N 1 1 321.424 3.580 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000248243764 1017213759 /nfs/dbraw/zinc/21/37/59/1017213759.db2.gz PMXPPVOZUKMWPE-UHFFFAOYSA-N 1 1 312.413 3.711 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000248243764 1017213766 /nfs/dbraw/zinc/21/37/66/1017213766.db2.gz PMXPPVOZUKMWPE-UHFFFAOYSA-N 1 1 312.413 3.711 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+](CCCC)[C@H](C)c2ccc(C)o2)C1=O ZINC000685000656 1017220988 /nfs/dbraw/zinc/22/09/88/1017220988.db2.gz XIDYFTCZXCERFA-CVEARBPZSA-N 1 1 304.434 3.538 20 30 DHEDMO C=C(Br)C[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000125099101 1032693266 /nfs/dbraw/zinc/69/32/66/1032693266.db2.gz LUCWHWGMMUMARL-JTQLQIEISA-N 1 1 300.244 3.506 20 30 DHEDMO COc1ccc(C[NH2+]Cc2c(Cl)cccc2OC)cc1C#N ZINC000179086227 1017432969 /nfs/dbraw/zinc/43/29/69/1017432969.db2.gz ZYILJVBFGMPOAE-UHFFFAOYSA-N 1 1 316.788 3.519 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000077381689 1017461470 /nfs/dbraw/zinc/46/14/70/1017461470.db2.gz QTFFJNBHSJPYTO-QGZVFWFLSA-N 1 1 306.365 3.624 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000077381689 1017461483 /nfs/dbraw/zinc/46/14/83/1017461483.db2.gz QTFFJNBHSJPYTO-QGZVFWFLSA-N 1 1 306.365 3.624 20 30 DHEDMO COCC1(C#N)CC[NH+](Cc2c(Cl)oc3ccccc32)CC1 ZINC000342833948 1017535186 /nfs/dbraw/zinc/53/51/86/1017535186.db2.gz CUYBBLHKDIBFSM-UHFFFAOYSA-N 1 1 318.804 3.838 20 30 DHEDMO C=CCN(CC=C)[C@@H](C[NH2+][C@H]1CCCc2scnc21)C(C)C ZINC000623861385 1017538074 /nfs/dbraw/zinc/53/80/74/1017538074.db2.gz WPSUVWDFBIBCIB-HOTGVXAUSA-N 1 1 319.518 3.809 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2cccs2)[C@H]2C=C[C@H](CO)C2)cc1 ZINC000347339816 1017543051 /nfs/dbraw/zinc/54/30/51/1017543051.db2.gz NCBXJFVLAZDNCK-ROUUACIJSA-N 1 1 324.449 3.559 20 30 DHEDMO CC[C@@H](C)Oc1cc(C[N@H+](CCC#N)CC2CC2)ccc1OC ZINC000119087167 1017550365 /nfs/dbraw/zinc/55/03/65/1017550365.db2.gz JRKAGTWXJPIEJI-OAHLLOKOSA-N 1 1 316.445 3.998 20 30 DHEDMO CC[C@@H](C)Oc1cc(C[N@@H+](CCC#N)CC2CC2)ccc1OC ZINC000119087167 1017550378 /nfs/dbraw/zinc/55/03/78/1017550378.db2.gz JRKAGTWXJPIEJI-OAHLLOKOSA-N 1 1 316.445 3.998 20 30 DHEDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444602211 1017587947 /nfs/dbraw/zinc/58/79/47/1017587947.db2.gz YZTJJIIWHBWDHC-SJORKVTESA-N 1 1 321.509 3.723 20 30 DHEDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444652206 1017606110 /nfs/dbraw/zinc/60/61/10/1017606110.db2.gz XEWODSARLXAGQF-INIZCTEOSA-N 1 1 321.509 3.581 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2nc([C@H](C)OCC)no2)CCCC1(C)C ZINC000444778816 1017673736 /nfs/dbraw/zinc/67/37/36/1017673736.db2.gz ABXYWSHTTDOALF-KBPBESRZSA-N 1 1 307.438 3.734 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2nc([C@H](C)OCC)no2)CCCC1(C)C ZINC000444778816 1017673740 /nfs/dbraw/zinc/67/37/40/1017673740.db2.gz ABXYWSHTTDOALF-KBPBESRZSA-N 1 1 307.438 3.734 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000625700096 1017779599 /nfs/dbraw/zinc/77/95/99/1017779599.db2.gz IZYIPSJIXUYLOI-LBPRGKRZSA-N 1 1 303.793 3.788 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000523791959 1017794814 /nfs/dbraw/zinc/79/48/14/1017794814.db2.gz ZCDVEOXBTGXOMO-SFHVURJKSA-N 1 1 324.449 3.727 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000339009337 1032729309 /nfs/dbraw/zinc/72/93/09/1032729309.db2.gz HOQOXSHCYHBEGJ-NJYVYQBISA-N 1 1 323.484 3.667 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000339009337 1032729321 /nfs/dbraw/zinc/72/93/21/1032729321.db2.gz HOQOXSHCYHBEGJ-NJYVYQBISA-N 1 1 323.484 3.667 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171492991 1032731559 /nfs/dbraw/zinc/73/15/59/1032731559.db2.gz KLJJBDLNNNMMQX-BQDHKBFISA-N 1 1 302.368 3.589 20 30 DHEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)c1 ZINC000172359024 1018039135 /nfs/dbraw/zinc/03/91/35/1018039135.db2.gz VKZQGPVNNAEXMK-FQEVSTJZSA-N 1 1 305.425 3.961 20 30 DHEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000183816344 1018046363 /nfs/dbraw/zinc/04/63/63/1018046363.db2.gz UNEDHYJSNCZFRQ-NSHDSACASA-N 1 1 301.371 3.573 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(OC)c1 ZINC000027588878 1018092919 /nfs/dbraw/zinc/09/29/19/1018092919.db2.gz VNRNRWHQTOJYLB-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000162551467 1018094414 /nfs/dbraw/zinc/09/44/14/1018094414.db2.gz OZLOQEGPKLHSMZ-INIZCTEOSA-N 1 1 314.429 3.925 20 30 DHEDMO C[N@@H+](CCSc1nccc(C#N)c1Cl)Cc1ccccc1 ZINC000343086019 1018136563 /nfs/dbraw/zinc/13/65/63/1018136563.db2.gz RQHYTTKUMXMUQX-UHFFFAOYSA-N 1 1 317.845 3.831 20 30 DHEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000441032158 1018144135 /nfs/dbraw/zinc/14/41/35/1018144135.db2.gz KOQLFMVMCSADGX-DJJJIMSYSA-N 1 1 310.372 3.521 20 30 DHEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000441032158 1018144138 /nfs/dbraw/zinc/14/41/38/1018144138.db2.gz KOQLFMVMCSADGX-DJJJIMSYSA-N 1 1 310.372 3.521 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3ccc(C#N)cn3)cc2)C1 ZINC000052158177 1018156455 /nfs/dbraw/zinc/15/64/55/1018156455.db2.gz KSTXQUIJMWVCKE-MRXNPFEDSA-N 1 1 320.440 3.797 20 30 DHEDMO CCCC[N@@H+](CC)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764136498 1018168368 /nfs/dbraw/zinc/16/83/68/1018168368.db2.gz ZQVVEOQYIRTTRN-QGZVFWFLSA-N 1 1 315.461 3.752 20 30 DHEDMO CCC1(CC)CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000446712228 1018210013 /nfs/dbraw/zinc/21/00/13/1018210013.db2.gz QJCLNOLSGRFQJD-UHFFFAOYSA-N 1 1 310.401 3.620 20 30 DHEDMO C[C@H]1CCC[N@H+]1C1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000154955699 1018228285 /nfs/dbraw/zinc/22/82/85/1018228285.db2.gz CPHRZCLBMLKJIH-ZDUSSCGKSA-N 1 1 303.837 3.665 20 30 DHEDMO CC#CCC[N@@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000155055462 1018231873 /nfs/dbraw/zinc/23/18/73/1018231873.db2.gz BOPSIHAAGRNAHW-UHFFFAOYSA-N 1 1 313.228 3.667 20 30 DHEDMO CC#CCC[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000155055462 1018231885 /nfs/dbraw/zinc/23/18/85/1018231885.db2.gz BOPSIHAAGRNAHW-UHFFFAOYSA-N 1 1 313.228 3.667 20 30 DHEDMO COc1c(C)cnc(C[N@H+](C)Cc2ccc(C#N)c(C)c2)c1C ZINC000446759000 1018246231 /nfs/dbraw/zinc/24/62/31/1018246231.db2.gz ABRMJQQCXVAASB-UHFFFAOYSA-N 1 1 309.413 3.519 20 30 DHEDMO COc1c(C)cnc(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)c1C ZINC000446759000 1018246241 /nfs/dbraw/zinc/24/62/41/1018246241.db2.gz ABRMJQQCXVAASB-UHFFFAOYSA-N 1 1 309.413 3.519 20 30 DHEDMO COc1c(C)c[nH+]c(CN(C)Cc2ccc(C#N)c(C)c2)c1C ZINC000446759000 1018246255 /nfs/dbraw/zinc/24/62/55/1018246255.db2.gz ABRMJQQCXVAASB-UHFFFAOYSA-N 1 1 309.413 3.519 20 30 DHEDMO C#CC[N@@H+](Cc1nc(-c2ccc(F)c(C)c2)no1)C1CCCC1 ZINC000766091910 1018264351 /nfs/dbraw/zinc/26/43/51/1018264351.db2.gz PYUIYLRBELIGQT-UHFFFAOYSA-N 1 1 313.376 3.562 20 30 DHEDMO C#CC[N@H+](Cc1nc(-c2ccc(F)c(C)c2)no1)C1CCCC1 ZINC000766091910 1018264367 /nfs/dbraw/zinc/26/43/67/1018264367.db2.gz PYUIYLRBELIGQT-UHFFFAOYSA-N 1 1 313.376 3.562 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000098068909 1018384102 /nfs/dbraw/zinc/38/41/02/1018384102.db2.gz RQCKTXNOOFNTST-UHFFFAOYSA-N 1 1 300.324 3.542 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000098068909 1018384113 /nfs/dbraw/zinc/38/41/13/1018384113.db2.gz RQCKTXNOOFNTST-UHFFFAOYSA-N 1 1 300.324 3.542 20 30 DHEDMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000246030353 1018393130 /nfs/dbraw/zinc/39/31/30/1018393130.db2.gz NLZPJAXPCUTDNH-VQTJNVASSA-N 1 1 306.409 3.737 20 30 DHEDMO CC#CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(OC)c1 ZINC000764974317 1018439318 /nfs/dbraw/zinc/43/93/18/1018439318.db2.gz YXASLFMRKTXFEE-NRFANRHFSA-N 1 1 323.436 3.644 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc(OC)c1O ZINC000127369621 1032766826 /nfs/dbraw/zinc/76/68/26/1032766826.db2.gz DVPWANCIJULDJY-QGZVFWFLSA-N 1 1 312.413 3.795 20 30 DHEDMO Cc1ccc(C#N)c(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000161723819 1018487404 /nfs/dbraw/zinc/48/74/04/1018487404.db2.gz ZOHZSFNJEGXVKC-HNAYVOBHSA-N 1 1 320.440 3.584 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000343257309 1018511466 /nfs/dbraw/zinc/51/14/66/1018511466.db2.gz FDIVZCBPVRONOD-AEFFLSMTSA-N 1 1 300.446 3.512 20 30 DHEDMO C[N@@H+](CCCCC#N)CC(=O)Nc1c(Cl)cccc1Cl ZINC000198681090 1018523194 /nfs/dbraw/zinc/52/31/94/1018523194.db2.gz GLOLMHJWUYSUTQ-UHFFFAOYSA-N 1 1 314.216 3.558 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000448055424 1018525890 /nfs/dbraw/zinc/52/58/90/1018525890.db2.gz HLQZQQWGRYQSOD-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000448055424 1018525903 /nfs/dbraw/zinc/52/59/03/1018525903.db2.gz HLQZQQWGRYQSOD-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO CC[N@@H+](CCC(C)(C)C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000527218827 1018532480 /nfs/dbraw/zinc/53/24/80/1018532480.db2.gz UNWZIAQYXZZTBA-AWEZNQCLSA-N 1 1 302.418 3.530 20 30 DHEDMO C[C@H](C1CC1)n1cc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000329388041 1018653325 /nfs/dbraw/zinc/65/33/25/1018653325.db2.gz REOKTCPFJPRQKH-CJNGLKHVSA-N 1 1 304.438 3.707 20 30 DHEDMO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCOC(C)(C)C ZINC000676041332 1018653541 /nfs/dbraw/zinc/65/35/41/1018653541.db2.gz GFEJDSFMHYLVEY-UHFFFAOYSA-N 1 1 313.363 3.804 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000246919030 1018683269 /nfs/dbraw/zinc/68/32/69/1018683269.db2.gz WEPIUCYRCQHFDB-RDJZCZTQSA-N 1 1 323.358 3.558 20 30 DHEDMO Cc1cnc(CC[N@H+](C)Cc2ccccc2C(C)(C)C#N)s1 ZINC000157847589 1018702405 /nfs/dbraw/zinc/70/24/05/1018702405.db2.gz MSVWNBWNNPQLBU-UHFFFAOYSA-N 1 1 313.470 3.927 20 30 DHEDMO Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH+]1CCC(CC#N)CC1 ZINC000542879379 1018750414 /nfs/dbraw/zinc/75/04/14/1018750414.db2.gz HBDXYYRYBROSEG-ZDUSSCGKSA-N 1 1 319.836 3.601 20 30 DHEDMO C[N@@H+](CCCNc1c(F)cc(C#N)cc1F)Cc1ccccc1 ZINC000060320118 1018755571 /nfs/dbraw/zinc/75/55/71/1018755571.db2.gz YPQHWRWLOGUJDE-UHFFFAOYSA-N 1 1 315.367 3.770 20 30 DHEDMO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000921758258 1018771060 /nfs/dbraw/zinc/77/10/60/1018771060.db2.gz CBDBNDWLJJDRQA-LBPRGKRZSA-N 1 1 310.426 3.840 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000583957666 1018777604 /nfs/dbraw/zinc/77/76/04/1018777604.db2.gz HWTPSUIVMZONLW-QRWLVFNGSA-N 1 1 324.399 3.854 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000583957666 1018777616 /nfs/dbraw/zinc/77/76/16/1018777616.db2.gz HWTPSUIVMZONLW-QRWLVFNGSA-N 1 1 324.399 3.854 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000583957667 1018778421 /nfs/dbraw/zinc/77/84/21/1018778421.db2.gz HWTPSUIVMZONLW-YWZLYKJASA-N 1 1 324.399 3.854 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000583957667 1018778431 /nfs/dbraw/zinc/77/84/31/1018778431.db2.gz HWTPSUIVMZONLW-YWZLYKJASA-N 1 1 324.399 3.854 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000765452255 1018790938 /nfs/dbraw/zinc/79/09/38/1018790938.db2.gz ZMWGUTRBSLMSHU-GJZGRUSLSA-N 1 1 310.869 3.809 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)CCN(C)C)cc1 ZINC000765452255 1018790949 /nfs/dbraw/zinc/79/09/49/1018790949.db2.gz ZMWGUTRBSLMSHU-GJZGRUSLSA-N 1 1 310.869 3.809 20 30 DHEDMO Cc1c([C@H](C)[NH2+]CC2(C#N)CCC2)cnn1-c1ccc(F)cc1 ZINC000450669651 1018905008 /nfs/dbraw/zinc/90/50/08/1018905008.db2.gz TVSGZGIGVYMDGF-ZDUSSCGKSA-N 1 1 312.392 3.664 20 30 DHEDMO Clc1ccc2c(N=NC3CC[N@H+]4CCC[C@@H]34)ccnc2c1 ZINC000765549451 1018907336 /nfs/dbraw/zinc/90/73/36/1018907336.db2.gz VWMSSQHXQSMSSL-INIZCTEOSA-N 1 1 300.793 3.524 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1cc(Cl)cc2c1OCC2 ZINC000922986192 1018963733 /nfs/dbraw/zinc/96/37/33/1018963733.db2.gz DREPZJKYJVZBJO-JTQLQIEISA-N 1 1 302.761 3.590 20 30 DHEDMO CCCCCCCCCOC(=O)N1CCC(F)(F)[C@H]([NH3+])C1 ZINC001239328470 1018972423 /nfs/dbraw/zinc/97/24/23/1018972423.db2.gz GZWWRCAXEVVVNR-CYBMUJFWSA-N 1 1 306.397 3.542 20 30 DHEDMO CC[C@@H]1CCCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075765762 1019048444 /nfs/dbraw/zinc/04/84/44/1019048444.db2.gz COTUZCYJLVNIAP-MRXNPFEDSA-N 1 1 310.401 3.763 20 30 DHEDMO CCCC[N@@H+](CC)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000063493805 1019050277 /nfs/dbraw/zinc/05/02/77/1019050277.db2.gz BKWYHCGXVUMRFY-UHFFFAOYSA-N 1 1 307.825 3.662 20 30 DHEDMO N#Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000309554126 1019092941 /nfs/dbraw/zinc/09/29/41/1019092941.db2.gz ZGHRVVOVZYPLFF-KRWDZBQOSA-N 1 1 311.816 3.898 20 30 DHEDMO C[C@H](Nc1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309876693 1019113370 /nfs/dbraw/zinc/11/33/70/1019113370.db2.gz UJXGOPQKTVFADQ-QFBILLFUSA-N 1 1 305.425 3.881 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000186167688 1019196353 /nfs/dbraw/zinc/19/63/53/1019196353.db2.gz CWBRJCVJYPIMFB-LJQANCHMSA-N 1 1 310.372 3.579 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000186167688 1019196360 /nfs/dbraw/zinc/19/63/60/1019196360.db2.gz CWBRJCVJYPIMFB-LJQANCHMSA-N 1 1 310.372 3.579 20 30 DHEDMO N#Cc1ccc(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000289840682 1019278115 /nfs/dbraw/zinc/27/81/15/1019278115.db2.gz OXTXGQNFCPIWHP-SFHVURJKSA-N 1 1 323.440 3.543 20 30 DHEDMO Cc1ccccc1[C@H]([C@@H](C)NCc1csc(C#N)c1)[NH+](C)C ZINC000922040672 1019359389 /nfs/dbraw/zinc/35/93/89/1019359389.db2.gz NUZYPKRHYUJVQC-KDOFPFPSSA-N 1 1 313.470 3.709 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)c(F)c1 ZINC000611071400 1019393113 /nfs/dbraw/zinc/39/31/13/1019393113.db2.gz LEOWQQBJCQYXIV-MRXNPFEDSA-N 1 1 302.299 3.753 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000611272015 1019426898 /nfs/dbraw/zinc/42/68/98/1019426898.db2.gz XXTORVABIYPNMB-MRXNPFEDSA-N 1 1 300.452 3.910 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](C)[C@@H]2C)c1C#N ZINC000611348381 1019453683 /nfs/dbraw/zinc/45/36/83/1019453683.db2.gz WGLZYYCAIYAYAG-HOCLYGCPSA-N 1 1 308.429 3.673 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c1C#N ZINC000611348381 1019453685 /nfs/dbraw/zinc/45/36/85/1019453685.db2.gz WGLZYYCAIYAYAG-HOCLYGCPSA-N 1 1 308.429 3.673 20 30 DHEDMO CC[N@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C1CCCC1 ZINC000611346009 1019453723 /nfs/dbraw/zinc/45/37/23/1019453723.db2.gz FGRCFGSIXNIOMR-UHFFFAOYSA-N 1 1 308.429 3.817 20 30 DHEDMO CC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C1CCCC1 ZINC000611346009 1019453730 /nfs/dbraw/zinc/45/37/30/1019453730.db2.gz FGRCFGSIXNIOMR-UHFFFAOYSA-N 1 1 308.429 3.817 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@H](C)CC[C@@H]2C)c1C#N ZINC000611347992 1019456263 /nfs/dbraw/zinc/45/62/63/1019456263.db2.gz MOSGFCBQLWHUHD-CABCVRRESA-N 1 1 308.429 3.673 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@H](C)CC[C@@H]2C)c1C#N ZINC000611347992 1019456280 /nfs/dbraw/zinc/45/62/80/1019456280.db2.gz MOSGFCBQLWHUHD-CABCVRRESA-N 1 1 308.429 3.673 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@H](C)C2(C)CC2)c1C#N ZINC000611348058 1019456619 /nfs/dbraw/zinc/45/66/19/1019456619.db2.gz PLGJXWZWKDSBJE-OAHLLOKOSA-N 1 1 308.429 3.673 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@H](C)C2(C)CC2)c1C#N ZINC000611348058 1019456625 /nfs/dbraw/zinc/45/66/25/1019456625.db2.gz PLGJXWZWKDSBJE-OAHLLOKOSA-N 1 1 308.429 3.673 20 30 DHEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611349474 1019457083 /nfs/dbraw/zinc/45/70/83/1019457083.db2.gz QASNQVZEIFVCAR-GDBMZVCRSA-N 1 1 308.429 3.815 20 30 DHEDMO CC(C)[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)[NH+]1CCCC1 ZINC000611391000 1019473619 /nfs/dbraw/zinc/47/36/19/1019473619.db2.gz ZFBHMRJTMXLMSP-UXHICEINSA-N 1 1 311.473 3.646 20 30 DHEDMO COC[C@H]([NH2+]Cc1csc(C#N)c1)c1cccc(Cl)c1 ZINC000922133731 1019497559 /nfs/dbraw/zinc/49/75/59/1019497559.db2.gz BNKNNQHSVMYUKV-HNNXBMFYSA-N 1 1 306.818 3.750 20 30 DHEDMO COCCCCc1ccc[nH+]c1NCc1csc(C#N)c1 ZINC000922139772 1019507434 /nfs/dbraw/zinc/50/74/34/1019507434.db2.gz MBXSWMQDHPRKKT-UHFFFAOYSA-N 1 1 301.415 3.596 20 30 DHEDMO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cc1OCCCC#N ZINC000611521366 1019509123 /nfs/dbraw/zinc/50/91/23/1019509123.db2.gz AQOLYTMSNGEAQM-ZBFHGGJFSA-N 1 1 320.408 3.558 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)cc1OCCCC#N ZINC000611521366 1019509129 /nfs/dbraw/zinc/50/91/29/1019509129.db2.gz AQOLYTMSNGEAQM-ZBFHGGJFSA-N 1 1 320.408 3.558 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000611554459 1019515514 /nfs/dbraw/zinc/51/55/14/1019515514.db2.gz QQQOHIMKKJBDFQ-RISCZKNCSA-N 1 1 312.335 3.730 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000611554459 1019515521 /nfs/dbraw/zinc/51/55/21/1019515521.db2.gz QQQOHIMKKJBDFQ-RISCZKNCSA-N 1 1 312.335 3.730 20 30 DHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000611554786 1019515559 /nfs/dbraw/zinc/51/55/59/1019515559.db2.gz ZCBROHMSEDKZDQ-GXFFZTMASA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000611554786 1019515569 /nfs/dbraw/zinc/51/55/69/1019515569.db2.gz ZCBROHMSEDKZDQ-GXFFZTMASA-N 1 1 300.299 3.860 20 30 DHEDMO CC(C)[C@H]1CCCCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC001168581739 1019577086 /nfs/dbraw/zinc/57/70/86/1019577086.db2.gz XQVUDMCYRGOZNA-GOSISDBHSA-N 1 1 313.445 3.787 20 30 DHEDMO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872383 1019588268 /nfs/dbraw/zinc/58/82/68/1019588268.db2.gz GAZZKGISLVSINO-ROUUACIJSA-N 1 1 322.456 3.979 20 30 DHEDMO CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872383 1019588274 /nfs/dbraw/zinc/58/82/74/1019588274.db2.gz GAZZKGISLVSINO-ROUUACIJSA-N 1 1 322.456 3.979 20 30 DHEDMO COCc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000179203909 1019853146 /nfs/dbraw/zinc/85/31/46/1019853146.db2.gz POGZZIPINFYPMJ-UHFFFAOYSA-N 1 1 306.409 3.869 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC000081535772 1019954045 /nfs/dbraw/zinc/95/40/45/1019954045.db2.gz HNOLEXDJRVYOHN-NRFANRHFSA-N 1 1 320.436 3.820 20 30 DHEDMO CC[N@@H+](CC#Cc1ccccc1Cl)[C@@H]1CCOC(C)(C)C1 ZINC000685590329 1019966063 /nfs/dbraw/zinc/96/60/63/1019966063.db2.gz YKBAPUJLGOSBDP-MRXNPFEDSA-N 1 1 305.849 3.971 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001168721284 1019970558 /nfs/dbraw/zinc/97/05/58/1019970558.db2.gz NXHNZVFSXUAEOI-QGZVFWFLSA-N 1 1 308.812 3.737 20 30 DHEDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000317533122 1019989147 /nfs/dbraw/zinc/98/91/47/1019989147.db2.gz KMDALMONIVDYLO-LBPRGKRZSA-N 1 1 311.351 3.719 20 30 DHEDMO N#Cc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1C(F)(F)F ZINC000317625905 1019997431 /nfs/dbraw/zinc/99/74/31/1019997431.db2.gz VQTHHTQWDFEXOW-KBPBESRZSA-N 1 1 309.335 3.616 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000731211186 1020078924 /nfs/dbraw/zinc/07/89/24/1020078924.db2.gz AVDQJZVRWVHUNL-LJQANCHMSA-N 1 1 324.399 3.935 20 30 DHEDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000731212448 1020081277 /nfs/dbraw/zinc/08/12/77/1020081277.db2.gz MIDZORHNDLLXPJ-SFHVURJKSA-N 1 1 306.409 3.887 20 30 DHEDMO N#Cc1csc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000154296816 1020093814 /nfs/dbraw/zinc/09/38/14/1020093814.db2.gz TYDGANSJZGEABS-UHFFFAOYSA-N 1 1 313.382 3.693 20 30 DHEDMO N#Cc1csc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000154296816 1020093822 /nfs/dbraw/zinc/09/38/22/1020093822.db2.gz TYDGANSJZGEABS-UHFFFAOYSA-N 1 1 313.382 3.693 20 30 DHEDMO C[N@@H+](CCc1ccccc1F)Cc1cn2ccccc2c1C#N ZINC000731670965 1020134995 /nfs/dbraw/zinc/13/49/95/1020134995.db2.gz JYSWGZOUYXOPJB-UHFFFAOYSA-N 1 1 307.372 3.625 20 30 DHEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cccc(C#N)c1 ZINC000731891721 1020164265 /nfs/dbraw/zinc/16/42/65/1020164265.db2.gz CMLZENYMUSWIBC-JXXFODFXSA-N 1 1 306.409 3.909 20 30 DHEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cccc(C#N)c1 ZINC000731891721 1020164272 /nfs/dbraw/zinc/16/42/72/1020164272.db2.gz CMLZENYMUSWIBC-JXXFODFXSA-N 1 1 306.409 3.909 20 30 DHEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000093772193 1020171650 /nfs/dbraw/zinc/17/16/50/1020171650.db2.gz KICSOUGMOHNGNJ-CQSZACIVSA-N 1 1 314.454 3.939 20 30 DHEDMO N#Cc1csc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000093838542 1020178310 /nfs/dbraw/zinc/17/83/10/1020178310.db2.gz NJFWUVAHEDXUGV-ZDUSSCGKSA-N 1 1 318.829 3.926 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000093838542 1020178315 /nfs/dbraw/zinc/17/83/15/1020178315.db2.gz NJFWUVAHEDXUGV-ZDUSSCGKSA-N 1 1 318.829 3.926 20 30 DHEDMO CC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000330621085 1020233773 /nfs/dbraw/zinc/23/37/73/1020233773.db2.gz LNYWLFZDURYQOF-HNNXBMFYSA-N 1 1 319.836 3.661 20 30 DHEDMO CCn1c2ccccc2nc1C[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000922758697 1020252915 /nfs/dbraw/zinc/25/29/15/1020252915.db2.gz HMBYFLDNRNLLBD-UHFFFAOYSA-N 1 1 304.397 3.526 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H]2CC(C)C)c(C#N)c1C ZINC000331149000 1020255166 /nfs/dbraw/zinc/25/51/66/1020255166.db2.gz ADODWTWDVSPRLA-AWEZNQCLSA-N 1 1 319.474 3.686 20 30 DHEDMO C#CC[N@H+](CC(C)C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733197499 1020343175 /nfs/dbraw/zinc/34/31/75/1020343175.db2.gz RELFZRRPDNUMPL-OAHLLOKOSA-N 1 1 322.246 3.864 20 30 DHEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cncc(Br)c1 ZINC000903108554 1020352881 /nfs/dbraw/zinc/35/28/81/1020352881.db2.gz DCXPVCIPQFDYTB-LLVKDONJSA-N 1 1 308.223 3.579 20 30 DHEDMO C=CCCCCCCCC(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001273089707 1020415705 /nfs/dbraw/zinc/41/57/05/1020415705.db2.gz YFCIVHNXPGAGQR-IBGZPJMESA-N 1 1 306.494 3.847 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC001171841514 1032902666 /nfs/dbraw/zinc/90/26/66/1032902666.db2.gz OYYPVZDADOWLFR-ZDUSSCGKSA-N 1 1 315.442 3.523 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC001171841514 1032902682 /nfs/dbraw/zinc/90/26/82/1032902682.db2.gz OYYPVZDADOWLFR-ZDUSSCGKSA-N 1 1 315.442 3.523 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2csc(C#N)c2)C1 ZINC000921690765 1020473754 /nfs/dbraw/zinc/47/37/54/1020473754.db2.gz DILLLZSGVRPCIY-WMLDXEAASA-N 1 1 311.454 3.545 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2csc(C#N)c2)C1 ZINC000921690765 1020473755 /nfs/dbraw/zinc/47/37/55/1020473755.db2.gz DILLLZSGVRPCIY-WMLDXEAASA-N 1 1 311.454 3.545 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC001171840550 1032904456 /nfs/dbraw/zinc/90/44/56/1032904456.db2.gz FDCFMMXMEABOSN-RHSMWYFYSA-N 1 1 318.848 3.733 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)o1 ZINC000130771003 1032904644 /nfs/dbraw/zinc/90/46/44/1032904644.db2.gz PUHYTEJWYPDGRM-SFHVURJKSA-N 1 1 313.372 3.754 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)o1 ZINC000130771003 1032904654 /nfs/dbraw/zinc/90/46/54/1032904654.db2.gz PUHYTEJWYPDGRM-SFHVURJKSA-N 1 1 313.372 3.754 20 30 DHEDMO C=CCOCCC[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000348040430 1020490257 /nfs/dbraw/zinc/49/02/57/1020490257.db2.gz DJZXHMSXLSYTJN-ZWKOTPCHSA-N 1 1 307.409 3.570 20 30 DHEDMO C[C@@H]1CCC[N@H+]1C1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000364715849 1020492977 /nfs/dbraw/zinc/49/29/77/1020492977.db2.gz ZRCDNYNCTZDKBW-CQSZACIVSA-N 1 1 317.864 3.660 20 30 DHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075637868 1020495777 /nfs/dbraw/zinc/49/57/77/1020495777.db2.gz IXGDIKLLLNUCAD-CZUORRHYSA-N 1 1 310.401 3.619 20 30 DHEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1C#N ZINC000301449817 1020511117 /nfs/dbraw/zinc/51/11/17/1020511117.db2.gz PNLCZWZNCZBDAJ-KRWDZBQOSA-N 1 1 323.415 3.656 20 30 DHEDMO COC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(Cl)c1F ZINC000554348381 1020540394 /nfs/dbraw/zinc/54/03/94/1020540394.db2.gz AIXLCQMBKDGMGP-MRXNPFEDSA-N 1 1 318.779 3.828 20 30 DHEDMO CC[C@H](C)[N@@H+](CCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000554287344 1020540847 /nfs/dbraw/zinc/54/08/47/1020540847.db2.gz HSBDCKRJMKNFOG-INIZCTEOSA-N 1 1 308.425 3.818 20 30 DHEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H]1CCCc2cccnc21 ZINC001168650991 1020555711 /nfs/dbraw/zinc/55/57/11/1020555711.db2.gz OMLNSNUFGONJJG-OAHLLOKOSA-N 1 1 305.385 3.502 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H]2C2CCCC2)c1=S ZINC000077569370 1020562265 /nfs/dbraw/zinc/56/22/65/1020562265.db2.gz JEYFDOZPYPNDIZ-HNNXBMFYSA-N 1 1 306.479 3.521 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000921725350 1020576232 /nfs/dbraw/zinc/57/62/32/1020576232.db2.gz QLYRCSXBMPZQNY-UHFFFAOYSA-N 1 1 317.820 3.795 20 30 DHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303593533 1020585587 /nfs/dbraw/zinc/58/55/87/1020585587.db2.gz SSXVMPMNNGYZTE-OXJNMPFZSA-N 1 1 323.440 3.708 20 30 DHEDMO Cc1cc(C)c(C#N)c(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000360864411 1020593587 /nfs/dbraw/zinc/59/35/87/1020593587.db2.gz MMHSOJMRFLZEOB-KXBFYZLASA-N 1 1 320.440 3.503 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000303738173 1020596193 /nfs/dbraw/zinc/59/61/93/1020596193.db2.gz HJKWFGCEZFJGMY-KRWDZBQOSA-N 1 1 316.445 3.706 20 30 DHEDMO N#Cc1cc(F)ccc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000361026084 1020599661 /nfs/dbraw/zinc/59/96/61/1020599661.db2.gz RCMATWKXYHBHHL-SFHVURJKSA-N 1 1 309.388 3.774 20 30 DHEDMO CC(C)[N@@H+](Cc1cn2ccccc2n1)Cc1ccc(C#N)cc1 ZINC000058397058 1020609883 /nfs/dbraw/zinc/60/98/83/1020609883.db2.gz ZCKANNGOYUZXIT-UHFFFAOYSA-N 1 1 304.397 3.617 20 30 DHEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000163875125 1020622392 /nfs/dbraw/zinc/62/23/92/1020622392.db2.gz KYTOGHVZNKXBRF-BBRMVZONSA-N 1 1 306.837 3.727 20 30 DHEDMO C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001171915506 1032919058 /nfs/dbraw/zinc/91/90/58/1032919058.db2.gz FLTIMPNWQJBKGO-KRWDZBQOSA-N 1 1 322.493 3.922 20 30 DHEDMO C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001171915509 1032920747 /nfs/dbraw/zinc/92/07/47/1032920747.db2.gz FLTIMPNWQJBKGO-QGZVFWFLSA-N 1 1 322.493 3.922 20 30 DHEDMO CCOC(=O)C1(C)CCC([N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001171955548 1032921942 /nfs/dbraw/zinc/92/19/42/1032921942.db2.gz MYWAXYOVNSHOTF-UHFFFAOYSA-N 1 1 314.429 3.502 20 30 DHEDMO C=C(Br)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000052439890 1020705748 /nfs/dbraw/zinc/70/57/48/1020705748.db2.gz CWUMATCBTJTJOG-UHFFFAOYSA-N 1 1 310.235 3.576 20 30 DHEDMO C=CC[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)C(C)C ZINC000735491064 1020738522 /nfs/dbraw/zinc/73/85/22/1020738522.db2.gz BZVVWRZCEDNDRF-LJQANCHMSA-N 1 1 320.285 3.997 20 30 DHEDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccc(C#N)s2)cc1 ZINC000180053232 1020746856 /nfs/dbraw/zinc/74/68/56/1020746856.db2.gz MLYZUMBDYWQRIS-AWEZNQCLSA-N 1 1 314.454 3.939 20 30 DHEDMO CCCCCCCCCC[NH+]1CCN(C2CCOCC2)CC1 ZINC000177751011 1020781591 /nfs/dbraw/zinc/78/15/91/1020781591.db2.gz FFFQEORBHKLEFJ-UHFFFAOYSA-N 1 1 310.526 3.924 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000661379171 1020797993 /nfs/dbraw/zinc/79/79/93/1020797993.db2.gz VIZAGCQFQMZKHV-AWEZNQCLSA-N 1 1 306.837 3.957 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)C1CC1 ZINC000537853584 1032935015 /nfs/dbraw/zinc/93/50/15/1032935015.db2.gz QMDPGLGQNGJWJR-MRXNPFEDSA-N 1 1 306.475 3.602 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)C1CC1 ZINC000537853584 1032935027 /nfs/dbraw/zinc/93/50/27/1032935027.db2.gz QMDPGLGQNGJWJR-MRXNPFEDSA-N 1 1 306.475 3.602 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](CC)c2ccc(F)cc2)c1 ZINC000738305431 1020871472 /nfs/dbraw/zinc/87/14/72/1020871472.db2.gz QKNCSYBYMUZGMT-IBGZPJMESA-N 1 1 324.399 3.829 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](CC)c2ccc(F)cc2)c1 ZINC000738305431 1020871475 /nfs/dbraw/zinc/87/14/75/1020871475.db2.gz QKNCSYBYMUZGMT-IBGZPJMESA-N 1 1 324.399 3.829 20 30 DHEDMO C=CCCCCC[N@H+](C)CN1C[C@H](c2cccc(F)c2)CC1=O ZINC000739886158 1020919091 /nfs/dbraw/zinc/91/90/91/1020919091.db2.gz XPTBPLOBCSGDKM-QGZVFWFLSA-N 1 1 318.436 3.777 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000740000732 1020923117 /nfs/dbraw/zinc/92/31/17/1020923117.db2.gz PNJBNVGARLEHIQ-OAHLLOKOSA-N 1 1 320.421 3.820 20 30 DHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000739912742 1020923135 /nfs/dbraw/zinc/92/31/35/1020923135.db2.gz SOQZKAFNTBEXQZ-DNVCBOLYSA-N 1 1 322.408 3.508 20 30 DHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000739912742 1020923139 /nfs/dbraw/zinc/92/31/39/1020923139.db2.gz SOQZKAFNTBEXQZ-DNVCBOLYSA-N 1 1 322.408 3.508 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000739912114 1020923644 /nfs/dbraw/zinc/92/36/44/1020923644.db2.gz FTOUFWRMZYDOQB-HOTGVXAUSA-N 1 1 308.466 3.674 20 30 DHEDMO C#CCCC[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000178153561 1020968095 /nfs/dbraw/zinc/96/80/95/1020968095.db2.gz CTJKAVJCMLAKTK-GOSISDBHSA-N 1 1 317.392 3.829 20 30 DHEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741794160 1021054165 /nfs/dbraw/zinc/05/41/65/1021054165.db2.gz GLMBLZBPMORSFM-INIZCTEOSA-N 1 1 310.482 3.922 20 30 DHEDMO COc1ccc(C[NH2+][C@@H](C)c2csc(C(C)C)n2)cc1C#N ZINC000742372027 1021112919 /nfs/dbraw/zinc/11/29/19/1021112919.db2.gz NBNWDWUGOZCHIV-LBPRGKRZSA-N 1 1 315.442 3.998 20 30 DHEDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174837348 1021200525 /nfs/dbraw/zinc/20/05/25/1021200525.db2.gz KMEWGUMTMGZBGS-QGZVFWFLSA-N 1 1 321.509 3.725 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C(C)C ZINC000917167168 1021206075 /nfs/dbraw/zinc/20/60/75/1021206075.db2.gz YJDVHDIJXYTMCL-UHFFFAOYSA-N 1 1 301.217 3.828 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C(C)C ZINC000917167168 1021206077 /nfs/dbraw/zinc/20/60/77/1021206077.db2.gz YJDVHDIJXYTMCL-UHFFFAOYSA-N 1 1 301.217 3.828 20 30 DHEDMO CCCCCCCC(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000917188899 1021207414 /nfs/dbraw/zinc/20/74/14/1021207414.db2.gz MFOKBJVXCJFQJG-UHFFFAOYSA-N 1 1 300.406 3.875 20 30 DHEDMO C[N@H+](CCC#N)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000177181390 1021220618 /nfs/dbraw/zinc/22/06/18/1021220618.db2.gz LQYIHAURTYHOQJ-UHFFFAOYSA-N 1 1 307.397 3.528 20 30 DHEDMO C[N@@H+](CCC#N)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000177181390 1021220626 /nfs/dbraw/zinc/22/06/26/1021220626.db2.gz LQYIHAURTYHOQJ-UHFFFAOYSA-N 1 1 307.397 3.528 20 30 DHEDMO N#CCCOCC[N@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000338909112 1021260186 /nfs/dbraw/zinc/26/01/86/1021260186.db2.gz KNGZOFSGMKGHKY-UHFFFAOYSA-N 1 1 304.409 3.891 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)c1O ZINC000743375830 1021284242 /nfs/dbraw/zinc/28/42/42/1021284242.db2.gz QOCNZHRSZSCMBU-OKILXGFUSA-N 1 1 321.486 3.845 20 30 DHEDMO CC(N=Nc1ccc(Cl)nc1)c1ccc(-n2ccnc2)cc1 ZINC000743449945 1021292764 /nfs/dbraw/zinc/29/27/64/1021292764.db2.gz IDXZNBVPNFHZCB-UHFFFAOYSA-N 1 1 311.776 3.757 20 30 DHEDMO CC(=[NH+]N[C@H](C)c1ccc(C(C)C)cc1)c1csc(N)n1 ZINC000917551382 1021300104 /nfs/dbraw/zinc/30/01/04/1021300104.db2.gz IZQDLHNXUNQMRR-LLVKDONJSA-N 1 1 302.447 3.924 20 30 DHEDMO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccc(C#N)c1 ZINC000743495484 1021311916 /nfs/dbraw/zinc/31/19/16/1021311916.db2.gz GHNFVOWKGIHQNY-NSHDSACASA-N 1 1 315.760 3.971 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC#N)cc1 ZINC000264559411 1032971011 /nfs/dbraw/zinc/97/10/11/1032971011.db2.gz OBKRXOFQLFTWSV-UHFFFAOYSA-N 1 1 319.408 3.873 20 30 DHEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C(C)(C)CO ZINC000618282020 1021343924 /nfs/dbraw/zinc/34/39/24/1021343924.db2.gz YMLJGRUIXMAVFK-UHFFFAOYSA-N 1 1 322.452 3.589 20 30 DHEDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000618296952 1021352313 /nfs/dbraw/zinc/35/23/13/1021352313.db2.gz NXURLHDPIYSNSX-HNNXBMFYSA-N 1 1 308.466 3.618 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)ccc1C#N ZINC000618606676 1021437419 /nfs/dbraw/zinc/43/74/19/1021437419.db2.gz VXJVTCAJDYTVQH-IBGZPJMESA-N 1 1 310.372 3.659 20 30 DHEDMO N#C[C@@H]1CCCCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073584 1032981743 /nfs/dbraw/zinc/98/17/43/1032981743.db2.gz APINDPASDFPWOA-WOZUAGRISA-N 1 1 323.484 3.950 20 30 DHEDMO C=C[C@H](CC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000556074593 1021513612 /nfs/dbraw/zinc/51/36/12/1021513612.db2.gz DASQTSGYZSVBNO-MJGOQNOKSA-N 1 1 314.473 3.679 20 30 DHEDMO C=C[C@@H](CC(=O)N1CC[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC000129611881 1021520210 /nfs/dbraw/zinc/52/02/10/1021520210.db2.gz JRDKFIPJERDRGR-KRWDZBQOSA-N 1 1 320.436 3.825 20 30 DHEDMO C=C[C@@H](CC(=O)N1CC[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC000129611881 1021520220 /nfs/dbraw/zinc/52/02/20/1021520220.db2.gz JRDKFIPJERDRGR-KRWDZBQOSA-N 1 1 320.436 3.825 20 30 DHEDMO C=C[C@H](CC(=O)N1CC[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC000129611676 1021522417 /nfs/dbraw/zinc/52/24/17/1021522417.db2.gz JRDKFIPJERDRGR-QGZVFWFLSA-N 1 1 320.436 3.825 20 30 DHEDMO C=C[C@H](CC(=O)N1CC[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC000129611676 1021522426 /nfs/dbraw/zinc/52/24/26/1021522426.db2.gz JRDKFIPJERDRGR-QGZVFWFLSA-N 1 1 320.436 3.825 20 30 DHEDMO CC[N@@H+](C[C@H](O)CCc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000182259894 1021562308 /nfs/dbraw/zinc/56/23/08/1021562308.db2.gz AZRGAGNNVZTVFM-LAUBAEHRSA-N 1 1 322.452 3.935 20 30 DHEDMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(c2c(C#N)cccc2C#N)C1 ZINC000365546504 1021637574 /nfs/dbraw/zinc/63/75/74/1021637574.db2.gz MMDSHIHHKQAYRO-QGZVFWFLSA-N 1 1 319.412 3.591 20 30 DHEDMO CC1(C)C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000763568379 1021742053 /nfs/dbraw/zinc/74/20/53/1021742053.db2.gz XNDMZGQKHNROOO-MOPGFXCFSA-N 1 1 306.409 3.675 20 30 DHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2nc(C)c(C)s2)c1 ZINC000892971831 1021750332 /nfs/dbraw/zinc/75/03/32/1021750332.db2.gz DKUWUTLWPNVKBT-OAHLLOKOSA-N 1 1 315.442 3.731 20 30 DHEDMO COc1ccc(-c2nc(C[NH2+]CC3(CC#N)CC3)cs2)cc1 ZINC000619531851 1021780377 /nfs/dbraw/zinc/78/03/77/1021780377.db2.gz NMKPSWYRWKRSGL-UHFFFAOYSA-N 1 1 313.426 3.602 20 30 DHEDMO N#CC1(CCC[N@@H+]2CCC[C@H]2c2ccc(O)cc2)CCOCC1 ZINC000619620896 1021813046 /nfs/dbraw/zinc/81/30/46/1021813046.db2.gz CZTQUVJXYHVFKM-SFHVURJKSA-N 1 1 314.429 3.630 20 30 DHEDMO COc1cc(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)ccc1C#N ZINC000619674712 1021824361 /nfs/dbraw/zinc/82/43/61/1021824361.db2.gz CXLQMKCMUBDBRH-FZMZJTMJSA-N 1 1 312.335 3.730 20 30 DHEDMO COc1cccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c1F ZINC000619748267 1021887074 /nfs/dbraw/zinc/88/70/74/1021887074.db2.gz FLKRMSOUUAYILA-UHFFFAOYSA-N 1 1 304.752 3.649 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001127520409 1021895366 /nfs/dbraw/zinc/89/53/66/1021895366.db2.gz RNJAAYDXOGVHRL-CZUORRHYSA-N 1 1 308.853 3.804 20 30 DHEDMO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000195136593 1021922844 /nfs/dbraw/zinc/92/28/44/1021922844.db2.gz KLXQBNDKJZPKRD-YLJYHZDGSA-N 1 1 319.452 3.731 20 30 DHEDMO C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000195136593 1021922859 /nfs/dbraw/zinc/92/28/59/1021922859.db2.gz KLXQBNDKJZPKRD-YLJYHZDGSA-N 1 1 319.452 3.731 20 30 DHEDMO C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000195136593 1021922869 /nfs/dbraw/zinc/92/28/69/1021922869.db2.gz KLXQBNDKJZPKRD-YLJYHZDGSA-N 1 1 319.452 3.731 20 30 DHEDMO COc1ccccc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000556900683 1021935102 /nfs/dbraw/zinc/93/51/02/1021935102.db2.gz DENRQACNRDGMEW-MOPGFXCFSA-N 1 1 306.409 3.967 20 30 DHEDMO COc1ccccc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000556900683 1021935114 /nfs/dbraw/zinc/93/51/14/1021935114.db2.gz DENRQACNRDGMEW-MOPGFXCFSA-N 1 1 306.409 3.967 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000538287369 1033019893 /nfs/dbraw/zinc/01/98/93/1033019893.db2.gz XQSDJFVYHIXNAI-INIZCTEOSA-N 1 1 317.477 3.682 20 30 DHEDMO C[C@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051150537 1021986373 /nfs/dbraw/zinc/98/63/73/1021986373.db2.gz PVSJIRUSDFUFIU-NSHDSACASA-N 1 1 305.403 3.723 20 30 DHEDMO C[C@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051150537 1021986379 /nfs/dbraw/zinc/98/63/79/1021986379.db2.gz PVSJIRUSDFUFIU-NSHDSACASA-N 1 1 305.403 3.723 20 30 DHEDMO CC[C@H](CC(F)F)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000851880509 1022027372 /nfs/dbraw/zinc/02/73/72/1022027372.db2.gz BFAUMRPTMCXPBQ-CJNGLKHVSA-N 1 1 308.372 3.613 20 30 DHEDMO CC[C@H](CC(F)F)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000851880509 1022027389 /nfs/dbraw/zinc/02/73/89/1022027389.db2.gz BFAUMRPTMCXPBQ-CJNGLKHVSA-N 1 1 308.372 3.613 20 30 DHEDMO CC[N@@H+](CCc1ccc(C#N)cc1)[C@H](C)[C@H](O)c1ccccc1 ZINC000852065274 1022067105 /nfs/dbraw/zinc/06/71/05/1022067105.db2.gz FPIYJNXJKHBFCN-UZLBHIALSA-N 1 1 308.425 3.545 20 30 DHEDMO Cc1ccc(CC#N)c(N[C@@H](c2cccnc2)C(F)(F)F)[nH+]1 ZINC001156162121 1022068612 /nfs/dbraw/zinc/06/86/12/1022068612.db2.gz CDIVRERAIMQIOF-ZDUSSCGKSA-N 1 1 306.291 3.567 20 30 DHEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000852100039 1022074835 /nfs/dbraw/zinc/07/48/35/1022074835.db2.gz RVSRDVRCBRNTQA-SFHVURJKSA-N 1 1 314.454 3.922 20 30 DHEDMO CC(C)c1cccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000852211800 1022088950 /nfs/dbraw/zinc/08/89/50/1022088950.db2.gz WVTHWAOUGQQPDK-FQEVSTJZSA-N 1 1 308.425 3.847 20 30 DHEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@]1(C)Cc1ccccc1Cl ZINC000852346243 1022109194 /nfs/dbraw/zinc/10/91/94/1022109194.db2.gz BWOPHYFOUGFIAW-RHSMWYFYSA-N 1 1 306.837 3.666 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000076152567 1022112232 /nfs/dbraw/zinc/11/22/32/1022112232.db2.gz IHJJVKUNPWAJJO-OALUTQOASA-N 1 1 321.380 3.867 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000076152567 1022112237 /nfs/dbraw/zinc/11/22/37/1022112237.db2.gz IHJJVKUNPWAJJO-OALUTQOASA-N 1 1 321.380 3.867 20 30 DHEDMO CCCCCCCC[N@@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000746472473 1022124978 /nfs/dbraw/zinc/12/49/78/1022124978.db2.gz QFVXNTXAIQOAMC-HOTGVXAUSA-N 1 1 303.512 3.635 20 30 DHEDMO C=CC[N@H+](Cc1cc(=O)oc2cc(OC)ccc12)C(C)(C)C ZINC000852554054 1022139216 /nfs/dbraw/zinc/13/92/16/1022139216.db2.gz BBFQVVQOAQNJEJ-UHFFFAOYSA-N 1 1 301.386 3.588 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1OC ZINC000620438793 1022153996 /nfs/dbraw/zinc/15/39/96/1022153996.db2.gz WPEBQNQHSKRFIU-UHFFFAOYSA-N 1 1 307.777 3.796 20 30 DHEDMO CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000852688200 1022159889 /nfs/dbraw/zinc/15/98/89/1022159889.db2.gz ZIMONKUIYQZJGS-SFHVURJKSA-N 1 1 315.417 3.769 20 30 DHEDMO CC(C)(C)OC(=O)Nc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000852688200 1022159898 /nfs/dbraw/zinc/15/98/98/1022159898.db2.gz ZIMONKUIYQZJGS-SFHVURJKSA-N 1 1 315.417 3.769 20 30 DHEDMO Fc1ccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 ZINC000076182025 1022199911 /nfs/dbraw/zinc/19/99/11/1022199911.db2.gz PREKSXGQZWDFGK-GHMZBOCLSA-N 1 1 315.232 3.998 20 30 DHEDMO O=C1c2ccccc2C(=O)C(Nc2ccc3[nH]c[nH+]c3c2)=C1Cl ZINC001169048218 1022229673 /nfs/dbraw/zinc/22/96/73/1022229673.db2.gz RILYLLZZIKTGGN-UHFFFAOYSA-N 1 1 323.739 3.504 20 30 DHEDMO C=CCOc1ccccc1[C@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108657 1022267094 /nfs/dbraw/zinc/26/70/94/1022267094.db2.gz USJNNBJGAXGHDQ-LUKYLMHMSA-N 1 1 300.446 3.527 20 30 DHEDMO C[N@@H+](C[C@H](C#N)CCC#N)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000609574965 1022302774 /nfs/dbraw/zinc/30/27/74/1022302774.db2.gz HBLOCBVWRASZHH-UHOSZYNNSA-N 1 1 311.429 3.530 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc2c(c1)OCCO2 ZINC000064431460 1022302847 /nfs/dbraw/zinc/30/28/47/1022302847.db2.gz GHHWEFVJEMIREE-UHFFFAOYSA-N 1 1 301.411 3.708 20 30 DHEDMO CC(C)[N@H+]1CCCC[C@H]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000853665280 1022312581 /nfs/dbraw/zinc/31/25/81/1022312581.db2.gz YTCZNAJCURHGOM-SFHVURJKSA-N 1 1 308.429 3.685 20 30 DHEDMO N#CCCC[N@H+]1CC[C@](F)(c2ccc(C(F)(F)F)cc2)C1 ZINC000368529166 1022339634 /nfs/dbraw/zinc/33/96/34/1022339634.db2.gz YPNLXXQFYSAAQH-CQSZACIVSA-N 1 1 300.299 3.880 20 30 DHEDMO N#CCCC[N@@H+]1CC[C@](F)(c2ccc(C(F)(F)F)cc2)C1 ZINC000368529166 1022339642 /nfs/dbraw/zinc/33/96/42/1022339642.db2.gz YPNLXXQFYSAAQH-CQSZACIVSA-N 1 1 300.299 3.880 20 30 DHEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC001169329897 1022359195 /nfs/dbraw/zinc/35/91/95/1022359195.db2.gz AUUGULIYQWEJHQ-AEFFLSMTSA-N 1 1 313.445 3.787 20 30 DHEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCOc1ccccc1C#N ZINC000609916423 1022381964 /nfs/dbraw/zinc/38/19/64/1022381964.db2.gz NIWIYXUOSUUFJJ-YJBOKZPZSA-N 1 1 324.399 3.954 20 30 DHEDMO CC1(C)Cc2c(cnn2-c2ccccc2)C[N@H+](CCCCC#N)C1 ZINC000854061854 1022399192 /nfs/dbraw/zinc/39/91/92/1022399192.db2.gz INYJXIJORUEQLI-UHFFFAOYSA-N 1 1 322.456 3.950 20 30 DHEDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000610004174 1022402182 /nfs/dbraw/zinc/40/21/82/1022402182.db2.gz CQCLQTFANFQWMP-CQSZACIVSA-N 1 1 310.372 3.695 20 30 DHEDMO C[C@@H]1c2c(F)cccc2CC[N@H+]1CCOc1ccccc1C#N ZINC000610004500 1022402526 /nfs/dbraw/zinc/40/25/26/1022402526.db2.gz NFJFSZUMHUOYTH-CQSZACIVSA-N 1 1 310.372 3.695 20 30 DHEDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CCOc1ccccc1C#N ZINC000610004500 1022402530 /nfs/dbraw/zinc/40/25/30/1022402530.db2.gz NFJFSZUMHUOYTH-CQSZACIVSA-N 1 1 310.372 3.695 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000610133458 1022424051 /nfs/dbraw/zinc/42/40/51/1022424051.db2.gz PMVIZYGMMDMBBN-CGTJXYLNSA-N 1 1 316.420 3.723 20 30 DHEDMO CCC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000610133326 1022425653 /nfs/dbraw/zinc/42/56/53/1022425653.db2.gz FOHSFXXVVZVEQN-NXHRZFHOSA-N 1 1 316.420 3.723 20 30 DHEDMO Cc1cccc2nc(C[NH2+][C@H](C)c3ccc(C#N)c(F)c3)cn21 ZINC000776739394 1022466467 /nfs/dbraw/zinc/46/64/67/1022466467.db2.gz ORMJTNRSWOUTOZ-CYBMUJFWSA-N 1 1 308.360 3.504 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000615438251 1022475401 /nfs/dbraw/zinc/47/54/01/1022475401.db2.gz XNSXLFWALJKZEX-FFZOFVMBSA-N 1 1 317.436 3.687 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)c1ccc(C)cc1C ZINC000615463734 1022491201 /nfs/dbraw/zinc/49/12/01/1022491201.db2.gz KWBWRPLNSYGPCP-KRWDZBQOSA-N 1 1 302.462 3.721 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2ncccc2O)cc1 ZINC001169736266 1022527947 /nfs/dbraw/zinc/52/79/47/1022527947.db2.gz FZQXYAVFGSWAOE-SFHVURJKSA-N 1 1 309.413 3.722 20 30 DHEDMO C=CC[C@@H]1[N@H+](CCOc2ccc3c(c2)OCO3)CCCC1(C)C ZINC001169843228 1022562162 /nfs/dbraw/zinc/56/21/62/1022562162.db2.gz AFDXRBJWQWQZBH-SFHVURJKSA-N 1 1 317.429 3.861 20 30 DHEDMO C=CC[C@@H](Nc1ccc([C@@H]2CCC[N@H+]2CC=C)cc1)C(=O)OC ZINC001169844825 1022565874 /nfs/dbraw/zinc/56/58/74/1022565874.db2.gz NJBMBQVDJDGEIO-MSOLQXFVSA-N 1 1 314.429 3.539 20 30 DHEDMO COc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OCCCC#N ZINC000158031156 1022595050 /nfs/dbraw/zinc/59/50/50/1022595050.db2.gz QADVHALLMCYHCD-IYBDPMFKSA-N 1 1 316.445 3.856 20 30 DHEDMO C#CCCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000766923617 1022610234 /nfs/dbraw/zinc/61/02/34/1022610234.db2.gz KNPKYVSEIDGHHF-LLVKDONJSA-N 1 1 302.365 3.755 20 30 DHEDMO CCC1(CC)C[N@@H+](Cc2ccc(OCC#N)cc2)CCS1 ZINC000766986708 1022620718 /nfs/dbraw/zinc/62/07/18/1022620718.db2.gz JHQWTSVLINKSKD-UHFFFAOYSA-N 1 1 304.459 3.697 20 30 DHEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000767018780 1022624650 /nfs/dbraw/zinc/62/46/50/1022624650.db2.gz SPNWPTWBWFSPHH-ZWKOTPCHSA-N 1 1 316.445 3.614 20 30 DHEDMO C[C@H]1CN(c2ccccc2F)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000616132121 1022642794 /nfs/dbraw/zinc/64/27/94/1022642794.db2.gz JFGHZKHLLZRMGD-INIZCTEOSA-N 1 1 323.415 3.602 20 30 DHEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000053279082 1022725410 /nfs/dbraw/zinc/72/54/10/1022725410.db2.gz JUEBLXPDOUEKJX-IBGZPJMESA-N 1 1 319.408 3.642 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@H](C)Cc2ccc(C#N)cc2)cc1OC ZINC001172308238 1033077672 /nfs/dbraw/zinc/07/76/72/1033077672.db2.gz VKTKPRLCNHKKER-OAHLLOKOSA-N 1 1 324.424 3.638 20 30 DHEDMO Cc1cc(C[NH2+][C@H]2CCCc3cn(C(C)C)nc32)ccc1C#N ZINC000767681808 1022781217 /nfs/dbraw/zinc/78/12/17/1022781217.db2.gz BGFDLUNZNUKSQD-SFHVURJKSA-N 1 1 308.429 3.811 20 30 DHEDMO Cc1ccc([C@@H](O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000767740677 1022795546 /nfs/dbraw/zinc/79/55/46/1022795546.db2.gz LQCTUXXZIZDRTC-NRFANRHFSA-N 1 1 318.420 3.689 20 30 DHEDMO C=CCC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617008764 1022826553 /nfs/dbraw/zinc/82/65/53/1022826553.db2.gz LOCKHAZSKACMGW-ZWKOTPCHSA-N 1 1 314.473 3.725 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1ccc2ccc(F)c(F)c2n1 ZINC000876530786 1033086475 /nfs/dbraw/zinc/08/64/75/1033086475.db2.gz UXYXGOLGOABADP-UHFFFAOYSA-N 1 1 303.356 3.885 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc2ccc(F)c(F)c2n1 ZINC000876530786 1033086484 /nfs/dbraw/zinc/08/64/84/1033086484.db2.gz UXYXGOLGOABADP-UHFFFAOYSA-N 1 1 303.356 3.885 20 30 DHEDMO C[C@@H](NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000538507553 1033087766 /nfs/dbraw/zinc/08/77/66/1033087766.db2.gz MUZCZVUGMUOGBM-HUUCEWRRSA-N 1 1 317.452 3.858 20 30 DHEDMO C[C@@H]([NH2+]CC(C)(C)N1CCC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000538507553 1033087781 /nfs/dbraw/zinc/08/77/81/1033087781.db2.gz MUZCZVUGMUOGBM-HUUCEWRRSA-N 1 1 317.452 3.858 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N1CCC(c2cnc[nH]2)CC1 ZINC000337586081 1033088003 /nfs/dbraw/zinc/08/80/03/1033088003.db2.gz FHQLQSZJDBWZHJ-UHFFFAOYSA-N 1 1 324.428 3.940 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000768153862 1022904131 /nfs/dbraw/zinc/90/41/31/1022904131.db2.gz NHWZKFZUPJMXQD-UHFFFAOYSA-N 1 1 300.381 3.587 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000768153862 1022904140 /nfs/dbraw/zinc/90/41/40/1022904140.db2.gz NHWZKFZUPJMXQD-UHFFFAOYSA-N 1 1 300.381 3.587 20 30 DHEDMO C#CCCOc1ccc(C[N@H+](C)Cc2ccc(OC)cc2)cc1 ZINC000768159639 1022906902 /nfs/dbraw/zinc/90/69/02/1022906902.db2.gz FPHSOJNRDAIQJO-UHFFFAOYSA-N 1 1 309.409 3.729 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccc(F)cc2F)cc1 ZINC000768233723 1022930972 /nfs/dbraw/zinc/93/09/72/1022930972.db2.gz QKBPWGUGJAWBQL-ZDUSSCGKSA-N 1 1 316.351 3.888 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc(F)cc2F)cc1 ZINC000768233723 1022930979 /nfs/dbraw/zinc/93/09/79/1022930979.db2.gz QKBPWGUGJAWBQL-ZDUSSCGKSA-N 1 1 316.351 3.888 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000768237968 1022933531 /nfs/dbraw/zinc/93/35/31/1022933531.db2.gz OHDGHSCHDGYKEB-OAQYLSRUSA-N 1 1 321.420 3.662 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000768237968 1022933539 /nfs/dbraw/zinc/93/35/39/1022933539.db2.gz OHDGHSCHDGYKEB-OAQYLSRUSA-N 1 1 321.420 3.662 20 30 DHEDMO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=NO[C@@H]2CCCCO2)C3)cc1 ZINC000768366538 1022952697 /nfs/dbraw/zinc/95/26/97/1022952697.db2.gz GXFQPIQVVUODLX-CEXWTWQISA-N 1 1 314.429 3.713 20 30 DHEDMO Fc1ccc(N=NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1 ZINC000768363234 1022953251 /nfs/dbraw/zinc/95/32/51/1022953251.db2.gz WRQHCBMIIHXSSC-HDICACEKSA-N 1 1 324.403 3.816 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857209965 1022968140 /nfs/dbraw/zinc/96/81/40/1022968140.db2.gz RCHZJOFCKICGDL-QZTJIDSGSA-N 1 1 300.446 3.580 20 30 DHEDMO C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@](C)(C(F)F)O1 ZINC000931080803 1022968348 /nfs/dbraw/zinc/96/83/48/1022968348.db2.gz GDXPIHDHGHELTD-DZGCQCFKSA-N 1 1 300.393 3.595 20 30 DHEDMO CCOc1c(Cl)cc(C[NH2+]CC2(C#N)CCC2)cc1OC ZINC000418140225 1022973012 /nfs/dbraw/zinc/97/30/12/1022973012.db2.gz ITXGSEFPLBBKKG-UHFFFAOYSA-N 1 1 308.809 3.531 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC001212325004 1022999946 /nfs/dbraw/zinc/99/99/46/1022999946.db2.gz FEHVFUDCCTXTPX-LBPRGKRZSA-N 1 1 310.184 3.847 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](CC)c2ccccc2)c1 ZINC000768916220 1023055377 /nfs/dbraw/zinc/05/53/77/1023055377.db2.gz WBTBYSJPGRSEGY-GOSISDBHSA-N 1 1 320.436 3.732 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1 ZINC000769035352 1023074219 /nfs/dbraw/zinc/07/42/19/1023074219.db2.gz HAHKFQNIUYIXJH-LVJCMDJASA-N 1 1 310.441 3.988 20 30 DHEDMO C#CCOc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000769106631 1023083762 /nfs/dbraw/zinc/08/37/62/1023083762.db2.gz RXTPEBRJVZAIGW-DYESRHJHSA-N 1 1 321.420 3.661 20 30 DHEDMO C#CCOc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000769106631 1023083767 /nfs/dbraw/zinc/08/37/67/1023083767.db2.gz RXTPEBRJVZAIGW-DYESRHJHSA-N 1 1 321.420 3.661 20 30 DHEDMO C=C1CC[NH+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000769337599 1023128783 /nfs/dbraw/zinc/12/87/83/1023128783.db2.gz FWTRPROAQWVFDA-UHFFFAOYSA-N 1 1 303.406 3.581 20 30 DHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172372499 1033107341 /nfs/dbraw/zinc/10/73/41/1033107341.db2.gz IOAHPNSHQOHDKM-USYVTKNRSA-N 1 1 321.505 3.885 20 30 DHEDMO CC(C)CC[N@H+](CCC#N)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759856171 1023144140 /nfs/dbraw/zinc/14/41/40/1023144140.db2.gz XLKOGRNLPUKVDX-INIZCTEOSA-N 1 1 312.816 3.774 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759856171 1023144141 /nfs/dbraw/zinc/14/41/41/1023144141.db2.gz XLKOGRNLPUKVDX-INIZCTEOSA-N 1 1 312.816 3.774 20 30 DHEDMO COc1ccc(C[C@H](C)C[N@@H+](CCC#N)CC(C)C)cc1F ZINC000769436561 1023148489 /nfs/dbraw/zinc/14/84/89/1023148489.db2.gz OKAQBNSCINBFMP-HNNXBMFYSA-N 1 1 306.425 3.885 20 30 DHEDMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000066853959 1023158535 /nfs/dbraw/zinc/15/85/35/1023158535.db2.gz KWGXWEIAMMXHAH-HOTGVXAUSA-N 1 1 321.424 3.621 20 30 DHEDMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000066853960 1023161505 /nfs/dbraw/zinc/16/15/05/1023161505.db2.gz KWGXWEIAMMXHAH-CVEARBPZSA-N 1 1 321.424 3.621 20 30 DHEDMO Cc1[nH+]ccn1CCCON=Cc1cccc(Cl)c1Cl ZINC000769556709 1023178543 /nfs/dbraw/zinc/17/85/43/1023178543.db2.gz LPRUQOKAVUTJIQ-UHFFFAOYSA-N 1 1 312.200 3.939 20 30 DHEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000769963484 1023247456 /nfs/dbraw/zinc/24/74/56/1023247456.db2.gz UUADZPYOVPCZSU-JTQLQIEISA-N 1 1 303.349 3.761 20 30 DHEDMO CCCC(N)=[NH+]OCc1cc(Br)cc2cccnc21 ZINC000124152341 1023307358 /nfs/dbraw/zinc/30/73/58/1023307358.db2.gz ABYPOMBDKBLTTO-UHFFFAOYSA-N 1 1 322.206 3.586 20 30 DHEDMO CCC[N@@H+](C[C@@H](C)CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000876690853 1033122500 /nfs/dbraw/zinc/12/25/00/1033122500.db2.gz SUIOYBHRFSALEV-HOTGVXAUSA-N 1 1 323.481 3.648 20 30 DHEDMO C#CC[NH+]1CCC(c2nc(Cc3ccc(C(C)C)cc3)no2)CC1 ZINC000770853690 1023353190 /nfs/dbraw/zinc/35/31/90/1023353190.db2.gz RSXPACPBMXSBEF-UHFFFAOYSA-N 1 1 323.440 3.596 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)C2CCN(CC)CC2)cc1Cl ZINC000125200103 1023467311 /nfs/dbraw/zinc/46/73/11/1023467311.db2.gz LWKZGQDYLWGUAP-UHFFFAOYSA-N 1 1 322.880 3.821 20 30 DHEDMO C#CC[NH+]1CCC(c2nc(C(C)(C)C3=CCCCC3)no2)CC1 ZINC000771721763 1023468060 /nfs/dbraw/zinc/46/80/60/1023468060.db2.gz FLOKTDYXBMHIES-UHFFFAOYSA-N 1 1 313.445 3.660 20 30 DHEDMO C[C@H]([N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)C(C)(C)C ZINC000538715306 1033143023 /nfs/dbraw/zinc/14/30/23/1033143023.db2.gz BPQYBIVXGJSXTF-AWEZNQCLSA-N 1 1 310.445 3.825 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2OCC)C1 ZINC000661383198 1023583240 /nfs/dbraw/zinc/58/32/40/1023583240.db2.gz ZBDGTKVKLCDEPE-MRXNPFEDSA-N 1 1 316.445 3.702 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000661380595 1023583530 /nfs/dbraw/zinc/58/35/30/1023583530.db2.gz OVAMVTAYUFPHLD-LBPRGKRZSA-N 1 1 317.820 3.777 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000661380595 1023583534 /nfs/dbraw/zinc/58/35/34/1023583534.db2.gz OVAMVTAYUFPHLD-LBPRGKRZSA-N 1 1 317.820 3.777 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000661380008 1023584642 /nfs/dbraw/zinc/58/46/42/1023584642.db2.gz CVCWFQNTAGWJIP-ZDUSSCGKSA-N 1 1 317.458 3.802 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000661380008 1023584649 /nfs/dbraw/zinc/58/46/49/1023584649.db2.gz CVCWFQNTAGWJIP-ZDUSSCGKSA-N 1 1 317.458 3.802 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+]([C@H](C)c2nnnn2C2CCCCC2)C1 ZINC000661384614 1023586159 /nfs/dbraw/zinc/58/61/59/1023586159.db2.gz KABDITMFLKCSDN-CABCVRRESA-N 1 1 303.454 3.527 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)c2nnnn2C2CCCCC2)C1 ZINC000661384614 1023586164 /nfs/dbraw/zinc/58/61/64/1023586164.db2.gz KABDITMFLKCSDN-CABCVRRESA-N 1 1 303.454 3.527 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000859444080 1033143644 /nfs/dbraw/zinc/14/36/44/1033143644.db2.gz BTOALSOXWBFKKS-CQSZACIVSA-N 1 1 304.459 3.858 20 30 DHEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000785722569 1023609977 /nfs/dbraw/zinc/60/99/77/1023609977.db2.gz WFFQRMMPTOLMTR-GOSISDBHSA-N 1 1 316.445 3.845 20 30 DHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H]1CC[C@H](C)[C@H](C)C1)C2 ZINC001172370851 1033151320 /nfs/dbraw/zinc/15/13/20/1033151320.db2.gz BOXNZRFEVBULQB-JRBPQWBISA-N 1 1 318.505 3.844 20 30 DHEDMO C=CCOCc1ncn2c1C[N@@H+]([C@@H](CC)CC(C)C)CCC2 ZINC001172403450 1033153379 /nfs/dbraw/zinc/15/33/79/1033153379.db2.gz SMYVMJINDDNGKW-INIZCTEOSA-N 1 1 305.466 3.616 20 30 DHEDMO C=CC[N@@H+](CC(=O)c1cc(C)n([C@H](C)COC)c1C)C(C)(C)C ZINC000661755437 1023731802 /nfs/dbraw/zinc/73/18/02/1023731802.db2.gz QQZSDDNTOJWSHF-OAHLLOKOSA-N 1 1 320.477 3.782 20 30 DHEDMO C=CC[N@H+](CC(=O)c1cc(C)n([C@H](C)COC)c1C)C(C)(C)C ZINC000661755437 1023731808 /nfs/dbraw/zinc/73/18/08/1023731808.db2.gz QQZSDDNTOJWSHF-OAHLLOKOSA-N 1 1 320.477 3.782 20 30 DHEDMO Cc1c([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)cnn1C(C)C ZINC000786918407 1023737006 /nfs/dbraw/zinc/73/70/06/1023737006.db2.gz VONFAUNRYOCGRA-GFCCVEGCSA-N 1 1 300.381 3.634 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)c1ccc(F)cc1C ZINC000746655785 1023766369 /nfs/dbraw/zinc/76/63/69/1023766369.db2.gz YMAUOOVYLWNSGS-KRWDZBQOSA-N 1 1 305.418 3.917 20 30 DHEDMO C=CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C(C)C ZINC000746662351 1023771950 /nfs/dbraw/zinc/77/19/50/1023771950.db2.gz YXKZYSITIKKXIZ-UHFFFAOYSA-N 1 1 309.413 3.634 20 30 DHEDMO C=CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C(C)C ZINC000746662351 1023771955 /nfs/dbraw/zinc/77/19/55/1023771955.db2.gz YXKZYSITIKKXIZ-UHFFFAOYSA-N 1 1 309.413 3.634 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000661873199 1023791781 /nfs/dbraw/zinc/79/17/81/1023791781.db2.gz FNZOOKOLVVVAFJ-PKOBYXMFSA-N 1 1 317.860 3.973 20 30 DHEDMO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598588348 1023853820 /nfs/dbraw/zinc/85/38/20/1023853820.db2.gz JGRBDUADHHAXQN-MAUKXSAKSA-N 1 1 300.446 3.588 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000662081170 1023887267 /nfs/dbraw/zinc/88/72/67/1023887267.db2.gz UQJGECVHVXENPY-JZXOWHBKSA-N 1 1 314.429 3.595 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccccc1C(F)(F)F ZINC000662081386 1023888145 /nfs/dbraw/zinc/88/81/45/1023888145.db2.gz WEFJNTFBQRIVEA-BETUJISGSA-N 1 1 324.346 3.827 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000662081046 1023889025 /nfs/dbraw/zinc/88/90/25/1023889025.db2.gz SLNFCQJMRUMYGH-WSTZPKSXSA-N 1 1 324.468 3.753 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(=O)NCC(C)C)c1 ZINC000662084863 1023890477 /nfs/dbraw/zinc/89/04/77/1023890477.db2.gz XPWRQQJEBRCLSB-KDURUIRLSA-N 1 1 312.457 3.755 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000662085867 1023892946 /nfs/dbraw/zinc/89/29/46/1023892946.db2.gz LELFFFBXALZQFP-BMFZPTHFSA-N 1 1 314.429 3.588 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000662085867 1023892955 /nfs/dbraw/zinc/89/29/55/1023892955.db2.gz LELFFFBXALZQFP-BMFZPTHFSA-N 1 1 314.429 3.588 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1cc(Cl)ccc1F ZINC000662086684 1023893503 /nfs/dbraw/zinc/89/35/03/1023893503.db2.gz VYWHSSJPOJWEAE-BETUJISGSA-N 1 1 308.784 3.601 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cc(Cl)ccc1F ZINC000662086684 1023893513 /nfs/dbraw/zinc/89/35/13/1023893513.db2.gz VYWHSSJPOJWEAE-BETUJISGSA-N 1 1 308.784 3.601 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662098671 1023903573 /nfs/dbraw/zinc/90/35/73/1023903573.db2.gz HTQXFWIEENIFNR-LSDHHAIUSA-N 1 1 310.235 3.523 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662098671 1023903579 /nfs/dbraw/zinc/90/35/79/1023903579.db2.gz HTQXFWIEENIFNR-LSDHHAIUSA-N 1 1 310.235 3.523 20 30 DHEDMO C#CCn1ccc(CN(CC)c2cc[nH+]c3cc(Cl)ccc32)n1 ZINC000788565079 1023905173 /nfs/dbraw/zinc/90/51/73/1023905173.db2.gz DBECQGDRJIXPNR-UHFFFAOYSA-N 1 1 324.815 3.744 20 30 DHEDMO CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000248743880 1023916127 /nfs/dbraw/zinc/91/61/27/1023916127.db2.gz QXLGVMSKYQDTAD-DNVCBOLYSA-N 1 1 314.429 3.530 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000266581810 1024042313 /nfs/dbraw/zinc/04/23/13/1024042313.db2.gz IESHKQZDLVGKMR-MRXNPFEDSA-N 1 1 324.424 3.661 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000266888632 1024044782 /nfs/dbraw/zinc/04/47/82/1024044782.db2.gz CUCOPLNTBVZFIG-UHFFFAOYSA-N 1 1 308.429 3.982 20 30 DHEDMO C=CCCC[N@H+](C)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000789327022 1024048604 /nfs/dbraw/zinc/04/86/04/1024048604.db2.gz OXCSXGHZNQRCII-KRWDZBQOSA-N 1 1 300.446 3.615 20 30 DHEDMO C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc(C#N)cc1F ZINC000053899157 1024082350 /nfs/dbraw/zinc/08/23/50/1024082350.db2.gz TXYFPQHPAXCISX-UHFFFAOYSA-N 1 1 320.314 3.931 20 30 DHEDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc(C#N)cc1F ZINC000053899157 1024082368 /nfs/dbraw/zinc/08/23/68/1024082368.db2.gz TXYFPQHPAXCISX-UHFFFAOYSA-N 1 1 320.314 3.931 20 30 DHEDMO CCC1(CC)C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CCS1 ZINC000330909997 1024095391 /nfs/dbraw/zinc/09/53/91/1024095391.db2.gz FIYHPGOXJLCVQM-OAHLLOKOSA-N 1 1 317.458 3.742 20 30 DHEDMO CCC1(CC)C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CCS1 ZINC000330909997 1024095407 /nfs/dbraw/zinc/09/54/07/1024095407.db2.gz FIYHPGOXJLCVQM-OAHLLOKOSA-N 1 1 317.458 3.742 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000268638920 1024134135 /nfs/dbraw/zinc/13/41/35/1024134135.db2.gz DBHALXADFSDAOV-QZTJIDSGSA-N 1 1 312.800 3.692 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000268633909 1024134476 /nfs/dbraw/zinc/13/44/76/1024134476.db2.gz LARKJLINJFTOLU-UKRRQHHQSA-N 1 1 302.443 3.760 20 30 DHEDMO CCOc1cc2c(cc1OCC)C[N@@H+](C[C@H](C)CCC#N)CC2 ZINC000602437278 1024135205 /nfs/dbraw/zinc/13/52/05/1024135205.db2.gz STWFIXZBVFUSAQ-OAHLLOKOSA-N 1 1 316.445 3.782 20 30 DHEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268644347 1024137166 /nfs/dbraw/zinc/13/71/66/1024137166.db2.gz TXKXLEBALHYMIA-IAGOWNOFSA-N 1 1 312.438 3.663 20 30 DHEDMO C=CC[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C(C)(C)C ZINC001172990746 1033497325 /nfs/dbraw/zinc/49/73/25/1033497325.db2.gz RLNYAYHEHOPYQI-CABCVRRESA-N 1 1 321.465 3.565 20 30 DHEDMO Cc1cccnc1N=NC1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000790187017 1024240463 /nfs/dbraw/zinc/24/04/63/1024240463.db2.gz SHTMLYPCPHJVFV-INIZCTEOSA-N 1 1 308.429 3.842 20 30 DHEDMO C[C@@H](CCCC#N)[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001172481990 1033195999 /nfs/dbraw/zinc/19/59/99/1033195999.db2.gz AWGGOUNLSDSZLL-NSHDSACASA-N 1 1 303.793 3.766 20 30 DHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)c1 ZINC000531834905 1024367223 /nfs/dbraw/zinc/36/72/23/1024367223.db2.gz PHYSJPZHGWBCSM-IBGZPJMESA-N 1 1 324.399 3.913 20 30 DHEDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(C#N)cc1 ZINC000790949724 1024401974 /nfs/dbraw/zinc/40/19/74/1024401974.db2.gz PXDZQGJQECIVJB-JTQLQIEISA-N 1 1 304.752 3.907 20 30 DHEDMO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1c2ccccc2CC[C@H]1F ZINC000883381467 1024412899 /nfs/dbraw/zinc/41/28/99/1024412899.db2.gz NMWWJPOBNRAMIW-UYAOXDASSA-N 1 1 323.415 3.739 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453352269 1024477130 /nfs/dbraw/zinc/47/71/30/1024477130.db2.gz HLAWFQFJTHWXCS-WOJBJXKFSA-N 1 1 310.441 3.828 20 30 DHEDMO CC(C)([NH2+]Cc1cc(C#N)cnc1Cl)c1cccc(F)c1 ZINC000877042961 1033217595 /nfs/dbraw/zinc/21/75/95/1033217595.db2.gz DMXICQCHEBUFFD-UHFFFAOYSA-N 1 1 303.768 3.771 20 30 DHEDMO CC1(C)Cc2ccsc2C[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000453624257 1024549128 /nfs/dbraw/zinc/54/91/28/1024549128.db2.gz QBGXHAPDCYASLL-UHFFFAOYSA-N 1 1 322.437 3.604 20 30 DHEDMO CC1(C)Cc2ccsc2C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000453624257 1024549132 /nfs/dbraw/zinc/54/91/32/1024549132.db2.gz QBGXHAPDCYASLL-UHFFFAOYSA-N 1 1 322.437 3.604 20 30 DHEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000532124528 1024558793 /nfs/dbraw/zinc/55/87/93/1024558793.db2.gz RBSMOGXWFGQZTO-KRWDZBQOSA-N 1 1 314.429 3.502 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cn2ccccc2n1 ZINC000585726567 1024573617 /nfs/dbraw/zinc/57/36/17/1024573617.db2.gz SLPWWBGLCBMKMZ-GFCCVEGCSA-N 1 1 310.788 3.710 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cn(C)nc1C(F)F ZINC000274437052 1024581024 /nfs/dbraw/zinc/58/10/24/1024581024.db2.gz ANYSMFCQIPTLRY-UHFFFAOYSA-N 1 1 305.372 3.588 20 30 DHEDMO C=CCC1(C(=O)OC[C@H]2CCC[N@H+]2Cc2ccco2)CCC1 ZINC000791847902 1024582205 /nfs/dbraw/zinc/58/22/05/1024582205.db2.gz BFLQJIQYDBMLKY-OAHLLOKOSA-N 1 1 303.402 3.534 20 30 DHEDMO COc1ncc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1Cl ZINC000585764844 1024602873 /nfs/dbraw/zinc/60/28/73/1024602873.db2.gz QPGPJHXRBKZUIR-SNVBAGLBSA-N 1 1 319.767 3.605 20 30 DHEDMO C[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000106862172 1024604317 /nfs/dbraw/zinc/60/43/17/1024604317.db2.gz QQDBKMNTCNFBFK-HNNXBMFYSA-N 1 1 319.408 3.506 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001172493653 1033226542 /nfs/dbraw/zinc/22/65/42/1033226542.db2.gz NIAZYMOGOSTHII-PMPSAXMXSA-N 1 1 323.481 3.551 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCc2cc(Br)ccc2C1 ZINC001172494873 1033226634 /nfs/dbraw/zinc/22/66/34/1033226634.db2.gz YYMWOJSPSYRPCM-GFCCVEGCSA-N 1 1 307.235 3.890 20 30 DHEDMO CCCCCCCCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000792269882 1024657386 /nfs/dbraw/zinc/65/73/86/1024657386.db2.gz XXRITNWWDHQDLJ-VQTJNVASSA-N 1 1 323.569 3.695 20 30 DHEDMO CCCCCCCCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000792269882 1024657390 /nfs/dbraw/zinc/65/73/90/1024657390.db2.gz XXRITNWWDHQDLJ-VQTJNVASSA-N 1 1 323.569 3.695 20 30 DHEDMO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)C1CCCCC1 ZINC000007786441 1024661623 /nfs/dbraw/zinc/66/16/23/1024661623.db2.gz CNCQWJHGLRKWCY-UHFFFAOYSA-N 1 1 317.458 3.505 20 30 DHEDMO N#C[C@H]1CC[C@H](Nc2c[nH+]c3c(Br)cccn23)CC1 ZINC001167844327 1024687317 /nfs/dbraw/zinc/68/73/17/1024687317.db2.gz CSFGIUCDGPBNES-XYPYZODXSA-N 1 1 319.206 3.591 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000349243535 1024690989 /nfs/dbraw/zinc/69/09/89/1024690989.db2.gz NCINXXHNFBLNAW-MRXNPFEDSA-N 1 1 323.415 3.576 20 30 DHEDMO N#CCCCOc1cccc(C[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC000349271491 1024694854 /nfs/dbraw/zinc/69/48/54/1024694854.db2.gz BRMWHMUFWXJCSY-UHFFFAOYSA-N 1 1 321.424 3.929 20 30 DHEDMO C[C@H](CCCC#N)N1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172498293 1033229175 /nfs/dbraw/zinc/22/91/75/1033229175.db2.gz LCNPGHAYNINKEI-YZGWKJHDSA-N 1 1 311.473 3.523 20 30 DHEDMO C[C@H](CCCC#N)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172498293 1033229181 /nfs/dbraw/zinc/22/91/81/1033229181.db2.gz LCNPGHAYNINKEI-YZGWKJHDSA-N 1 1 311.473 3.523 20 30 DHEDMO C=CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1Cl ZINC000066990809 1024734792 /nfs/dbraw/zinc/73/47/92/1024734792.db2.gz RIQKCBPRXQVDSN-INIZCTEOSA-N 1 1 322.880 3.725 20 30 DHEDMO C=CCOc1ccc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000066990809 1024734800 /nfs/dbraw/zinc/73/48/00/1024734800.db2.gz RIQKCBPRXQVDSN-INIZCTEOSA-N 1 1 322.880 3.725 20 30 DHEDMO C=CCOc1ccc(CNC[C@@H]2CC[N@H+](C(C)C)C2)cc1Cl ZINC000066990809 1024734812 /nfs/dbraw/zinc/73/48/12/1024734812.db2.gz RIQKCBPRXQVDSN-INIZCTEOSA-N 1 1 322.880 3.725 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2[C@H](C)CCCC#N)cc1OC ZINC001172507225 1033233740 /nfs/dbraw/zinc/23/37/40/1033233740.db2.gz QUJXQODEMZXUKY-GDBMZVCRSA-N 1 1 302.418 3.923 20 30 DHEDMO CN(C1CC1)[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170399189 1024762897 /nfs/dbraw/zinc/76/28/97/1024762897.db2.gz YWVNXUWXQCPYPD-NYLDSWQDSA-N 1 1 323.484 3.559 20 30 DHEDMO C[N@H+](C1CC1)[C@@H]1CCN(C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170399189 1024762906 /nfs/dbraw/zinc/76/29/06/1024762906.db2.gz YWVNXUWXQCPYPD-NYLDSWQDSA-N 1 1 323.484 3.559 20 30 DHEDMO C[N@@H+](C1CC1)[C@@H]1CCN(C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170399189 1024762917 /nfs/dbraw/zinc/76/29/17/1024762917.db2.gz YWVNXUWXQCPYPD-NYLDSWQDSA-N 1 1 323.484 3.559 20 30 DHEDMO C[N@@H+](Cc1cccnc1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170377094 1024765005 /nfs/dbraw/zinc/76/50/05/1024765005.db2.gz UWRNZFAQZNGESL-UHFFFAOYSA-N 1 1 305.425 3.918 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2C[C@@H](F)C[C@H]2CF)CC1 ZINC001170378478 1024765999 /nfs/dbraw/zinc/76/59/99/1024765999.db2.gz CURSXDBHUSQGCX-NALMEZQBSA-N 1 1 304.384 3.772 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@@H+]2C[C@@H](F)C[C@H]2CF)CC1 ZINC001170378478 1024766011 /nfs/dbraw/zinc/76/60/11/1024766011.db2.gz CURSXDBHUSQGCX-NALMEZQBSA-N 1 1 304.384 3.772 20 30 DHEDMO Cc1nc2ccccn2c1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000349907988 1024766909 /nfs/dbraw/zinc/76/69/09/1024766909.db2.gz ADHVPXNRQGHKFI-UHFFFAOYSA-N 1 1 316.408 3.679 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cccc3c[nH]nc32)C2CC2)cc1 ZINC000349910731 1024767353 /nfs/dbraw/zinc/76/73/53/1024767353.db2.gz IJMSKNKJLPEDCO-UHFFFAOYSA-N 1 1 302.381 3.599 20 30 DHEDMO C[C@@]1(O)CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170379433 1024767575 /nfs/dbraw/zinc/76/75/75/1024767575.db2.gz YHJPNUTYGNDNAO-IOJLRTSASA-N 1 1 312.457 3.627 20 30 DHEDMO Cc1cccc2ncc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)n21 ZINC000349921514 1024769292 /nfs/dbraw/zinc/76/92/92/1024769292.db2.gz YAGYUIWFJSRQPN-UHFFFAOYSA-N 1 1 316.408 3.679 20 30 DHEDMO Cc1cccc2ncc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)n21 ZINC000349921514 1024769301 /nfs/dbraw/zinc/76/93/01/1024769301.db2.gz YAGYUIWFJSRQPN-UHFFFAOYSA-N 1 1 316.408 3.679 20 30 DHEDMO CCn1nc(C)c(C[N@H+](C)CC#Cc2ccc(Cl)cc2)c1C ZINC000639922538 1024776315 /nfs/dbraw/zinc/77/63/15/1024776315.db2.gz IRCQXAPPMQQFGE-UHFFFAOYSA-N 1 1 315.848 3.657 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000349969400 1024776384 /nfs/dbraw/zinc/77/63/84/1024776384.db2.gz XABYLEBOERLZJI-UHFFFAOYSA-N 1 1 314.392 3.724 20 30 DHEDMO CCn1nc(C)c(C[N@@H+](C)CC#Cc2ccc(Cl)cc2)c1C ZINC000639922538 1024776327 /nfs/dbraw/zinc/77/63/27/1024776327.db2.gz IRCQXAPPMQQFGE-UHFFFAOYSA-N 1 1 315.848 3.657 20 30 DHEDMO COC(=O)c1ccc(N[NH2+]C(C)=C2CC2(F)F)cc1Cl ZINC000841633468 1024802941 /nfs/dbraw/zinc/80/29/41/1024802941.db2.gz WVTTYIYKOHHVJY-JTQLQIEISA-N 1 1 302.708 3.570 20 30 DHEDMO CCC[N@@H+]([C@@H](C)CCCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001172509942 1033238349 /nfs/dbraw/zinc/23/83/49/1033238349.db2.gz SSEISULXLPDJCW-JKSUJKDBSA-N 1 1 323.481 3.790 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+](C)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001172509890 1033238836 /nfs/dbraw/zinc/23/88/36/1033238836.db2.gz SMDJJNKTWSUIIY-BZUAXINKSA-N 1 1 323.481 3.836 20 30 DHEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C(C)(C)C1 ZINC000350182326 1024799163 /nfs/dbraw/zinc/79/91/63/1024799163.db2.gz YFJGZSIEMMGVNZ-GFCCVEGCSA-N 1 1 319.836 3.661 20 30 DHEDMO C=C(C)[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(F)c1 ZINC000893667913 1024893369 /nfs/dbraw/zinc/89/33/69/1024893369.db2.gz GDORJJNODNSWQM-MUSFGAPCSA-N 1 1 306.400 3.797 20 30 DHEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](C)CCC=C(C)C ZINC001275067171 1024900303 /nfs/dbraw/zinc/90/03/03/1024900303.db2.gz PVWWIWKQHAHKST-KZNAEPCWSA-N 1 1 304.478 3.620 20 30 DHEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@H](CC)CCCC ZINC001275082296 1024907398 /nfs/dbraw/zinc/90/73/98/1024907398.db2.gz MJQYHISQCNMGMM-IEBWSBKVSA-N 1 1 306.494 3.846 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@H+](CCCCCCC)CC2)C1=O ZINC001275110596 1024916065 /nfs/dbraw/zinc/91/60/65/1024916065.db2.gz BAFFJHASYYSRGH-IBGZPJMESA-N 1 1 306.494 3.847 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCCCCCC ZINC001275113310 1024916639 /nfs/dbraw/zinc/91/66/39/1024916639.db2.gz AVIDGZPSUNLGJH-IBGZPJMESA-N 1 1 306.494 3.990 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@@]12CCN(CC=C(C)C)C2=O ZINC001275111472 1024916731 /nfs/dbraw/zinc/91/67/31/1024916731.db2.gz MPEHIYPKWYQQJC-IBGZPJMESA-N 1 1 306.494 3.990 20 30 DHEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc(Cl)cc1OC ZINC000107718714 1024934414 /nfs/dbraw/zinc/93/44/14/1024934414.db2.gz UVRAVKFPZLISCM-UHFFFAOYSA-N 1 1 315.800 3.650 20 30 DHEDMO C[NH+](C)[C@H](C/N=C/c1ccccc1O)c1ccccc1Cl ZINC000005291790 1025030396 /nfs/dbraw/zinc/03/03/96/1025030396.db2.gz ISKOIGSFWVQTBL-YDDPGSGASA-N 1 1 302.805 3.767 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000120633121 1025045113 /nfs/dbraw/zinc/04/51/13/1025045113.db2.gz VYYSWSGXBVWYDQ-HZPDHXFCSA-N 1 1 317.502 3.706 20 30 DHEDMO CC(C)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2Br)C1 ZINC001229007503 1025052521 /nfs/dbraw/zinc/05/25/21/1025052521.db2.gz MTFSVAQOKBVUFL-ZDUSSCGKSA-N 1 1 323.234 3.572 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000121022119 1025069784 /nfs/dbraw/zinc/06/97/84/1025069784.db2.gz NPBCLZMZUMPLLG-INIZCTEOSA-N 1 1 322.408 3.565 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(OC3CCCC3)CC2)c(F)c1 ZINC000121120702 1025076404 /nfs/dbraw/zinc/07/64/04/1025076404.db2.gz WXPZEJVOHZJRHR-UHFFFAOYSA-N 1 1 302.393 3.621 20 30 DHEDMO CC(C)C(C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)C(C)C ZINC000793586408 1025116467 /nfs/dbraw/zinc/11/64/67/1025116467.db2.gz DOFGMIOQKOTNRW-LJQANCHMSA-N 1 1 300.446 3.860 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1ncccc1C#N ZINC000052245047 1025133428 /nfs/dbraw/zinc/13/34/28/1025133428.db2.gz HGBDKJMZRAZVCV-MRXNPFEDSA-N 1 1 320.440 3.940 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@@H](CSC)C2)c1O ZINC000793797287 1025164953 /nfs/dbraw/zinc/16/49/53/1025164953.db2.gz NYAVGWQUFABXEH-CQSZACIVSA-N 1 1 321.486 3.704 20 30 DHEDMO C=C(C)CN(CC)C(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000338039782 1033264703 /nfs/dbraw/zinc/26/47/03/1033264703.db2.gz LNCAQUNGGKVMIC-UHFFFAOYSA-N 1 1 300.446 3.709 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000353744064 1025221580 /nfs/dbraw/zinc/22/15/80/1025221580.db2.gz FAVZVLPPFPKXEB-LJQANCHMSA-N 1 1 301.430 3.644 20 30 DHEDMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001170444537 1025238349 /nfs/dbraw/zinc/23/83/49/1025238349.db2.gz UORHAEZUTFQYAY-GOSISDBHSA-N 1 1 322.408 3.740 20 30 DHEDMO CCCC[N@H+]1CCCC[C@H]1CNc1nc(Cl)c(C#N)s1 ZINC000804399757 1025282433 /nfs/dbraw/zinc/28/24/33/1025282433.db2.gz FQMKJJKHTSEQBE-NSHDSACASA-N 1 1 312.870 3.735 20 30 DHEDMO C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)CC(C)(C)C#N ZINC000354016692 1025321442 /nfs/dbraw/zinc/32/14/42/1025321442.db2.gz BXKBYJUZWGCEHY-UHFFFAOYSA-N 1 1 302.809 3.712 20 30 DHEDMO C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)CC(C)(C)C#N ZINC000354016692 1025321454 /nfs/dbraw/zinc/32/14/54/1025321454.db2.gz BXKBYJUZWGCEHY-UHFFFAOYSA-N 1 1 302.809 3.712 20 30 DHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C1CCC(C)CC1)CCO2 ZINC001168215034 1025329182 /nfs/dbraw/zinc/32/91/82/1025329182.db2.gz LLRLPVBDEBXBDR-VLOYRQLPSA-N 1 1 307.478 3.639 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000354071992 1025339919 /nfs/dbraw/zinc/33/99/19/1025339919.db2.gz NEUYXIMVKVYLEX-UHFFFAOYSA-N 1 1 322.408 3.555 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1sccc1Cl ZINC001275316583 1025403341 /nfs/dbraw/zinc/40/33/41/1025403341.db2.gz YQBQNTRAKBNWTM-INIZCTEOSA-N 1 1 324.877 3.545 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1sccc1Cl ZINC001275316583 1025403345 /nfs/dbraw/zinc/40/33/45/1025403345.db2.gz YQBQNTRAKBNWTM-INIZCTEOSA-N 1 1 324.877 3.545 20 30 DHEDMO CCc1nocc1C[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000354358646 1025412460 /nfs/dbraw/zinc/41/24/60/1025412460.db2.gz MKZKUSFHPLQCHM-UHFFFAOYSA-N 1 1 313.401 3.552 20 30 DHEDMO CCc1nocc1C[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000354358646 1025412461 /nfs/dbraw/zinc/41/24/61/1025412461.db2.gz MKZKUSFHPLQCHM-UHFFFAOYSA-N 1 1 313.401 3.552 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCc2ccccc2[C@@H]1C ZINC000354377374 1025417459 /nfs/dbraw/zinc/41/74/59/1025417459.db2.gz BPKHPVQKYKINSY-HNNXBMFYSA-N 1 1 322.408 3.565 20 30 DHEDMO C[N@H+](Cc1cccc2ccccc21)C[C@@H](O)CC1(C#N)CCC1 ZINC000885958917 1025420379 /nfs/dbraw/zinc/42/03/79/1025420379.db2.gz OONRTQPEPGAQTQ-SFHVURJKSA-N 1 1 308.425 3.716 20 30 DHEDMO C=CCCCCCC[N@H+]1CCCC[C@]12CC(=O)N(CC=C)C2 ZINC001275329044 1025438232 /nfs/dbraw/zinc/43/82/32/1025438232.db2.gz KQFBMYXOHXPKIN-LJQANCHMSA-N 1 1 304.478 3.766 20 30 DHEDMO C=CCCCCCCC[N@H+]1CC[C@]2(CCN(CC=C)C2=O)C1 ZINC001275331174 1025442465 /nfs/dbraw/zinc/44/24/65/1025442465.db2.gz RRYOEUKQLOAVJC-IBGZPJMESA-N 1 1 304.478 3.623 20 30 DHEDMO C=CCCCCCCC[N@H+]1CCC[C@]12CCN(CC=C)C2=O ZINC001275331485 1025444787 /nfs/dbraw/zinc/44/47/87/1025444787.db2.gz XOAHUOBEIXPEKL-LJQANCHMSA-N 1 1 304.478 3.766 20 30 DHEDMO C=CCCCCCC[N@@H+]1CC[C@@]2(CCN(CC(C)C)C2=O)C1 ZINC001275331370 1025445203 /nfs/dbraw/zinc/44/52/03/1025445203.db2.gz VFVHGRCCUOTIRC-LJQANCHMSA-N 1 1 306.494 3.703 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC000886032980 1025446082 /nfs/dbraw/zinc/44/60/82/1025446082.db2.gz QCHJZAMBXACOSN-HZPDHXFCSA-N 1 1 304.821 3.532 20 30 DHEDMO C=CCCCCCC[N@@H+]1CCC[C@@]12CCN(CC(=C)C)C2=O ZINC001275330134 1025447146 /nfs/dbraw/zinc/44/71/46/1025447146.db2.gz LWBHCQMRXZWJIM-IBGZPJMESA-N 1 1 304.478 3.766 20 30 DHEDMO COc1ccc2c(c1)C[C@H]([N@@H+](CCC#N)Cc1ccccc1)C2 ZINC001168258664 1025467836 /nfs/dbraw/zinc/46/78/36/1025467836.db2.gz CKFKNVSAVKDHGF-LJQANCHMSA-N 1 1 306.409 3.578 20 30 DHEDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886138362 1025524751 /nfs/dbraw/zinc/52/47/51/1025524751.db2.gz IUSSOBURYPMFKY-RBUKOAKNSA-N 1 1 312.457 3.528 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877365125 1033289437 /nfs/dbraw/zinc/28/94/37/1033289437.db2.gz OWYWHUIQJHHRFR-CQSZACIVSA-N 1 1 303.406 3.815 20 30 DHEDMO CC(C)[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@@H](C)c1ccsc1 ZINC000886252304 1025571819 /nfs/dbraw/zinc/57/18/19/1025571819.db2.gz ZLNVNIVVFCDTLB-HOCLYGCPSA-N 1 1 306.475 3.964 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)CCC1 ZINC000886266003 1025573917 /nfs/dbraw/zinc/57/39/17/1025573917.db2.gz WYTGMWVBGBPUEO-RBUKOAKNSA-N 1 1 322.452 3.825 20 30 DHEDMO C[C@@H](CSc1ccccc1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886267296 1025574244 /nfs/dbraw/zinc/57/42/44/1025574244.db2.gz JXVZFEIYWXRXTR-JKSUJKDBSA-N 1 1 318.486 3.544 20 30 DHEDMO C=CCCC1(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000355038425 1025588473 /nfs/dbraw/zinc/58/84/73/1025588473.db2.gz LEIYKDUBOZQLDA-SJLPKXTDSA-N 1 1 312.457 3.685 20 30 DHEDMO CC[N@@H+](CCC1CC1)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000355065010 1025597733 /nfs/dbraw/zinc/59/77/33/1025597733.db2.gz RWLNKEPDJXGWLM-UHFFFAOYSA-N 1 1 323.440 3.860 20 30 DHEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000886358463 1025603135 /nfs/dbraw/zinc/60/31/35/1025603135.db2.gz VFQZFJVJATUIIP-QWHCGFSZSA-N 1 1 315.804 3.796 20 30 DHEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000886359325 1025603368 /nfs/dbraw/zinc/60/33/68/1025603368.db2.gz ARFQHAPSQQDMJK-HZPDHXFCSA-N 1 1 309.413 3.760 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2coc(-c3ccc(OCC)cc3)n2)C1 ZINC000886362627 1025603591 /nfs/dbraw/zinc/60/35/91/1025603591.db2.gz GWDYKIYEXYMDBN-OAHLLOKOSA-N 1 1 310.397 3.586 20 30 DHEDMO C#CC[C@H]1CC[N@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000886362675 1025604238 /nfs/dbraw/zinc/60/42/38/1025604238.db2.gz IXMWKQYHNAOBRC-SFHVURJKSA-N 1 1 312.457 3.676 20 30 DHEDMO CCOc1cccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000355353615 1025687426 /nfs/dbraw/zinc/68/74/26/1025687426.db2.gz JFLJLRVVLMHGOY-UHFFFAOYSA-N 1 1 319.408 3.641 20 30 DHEDMO CCOc1cccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000355353615 1025687432 /nfs/dbraw/zinc/68/74/32/1025687432.db2.gz JFLJLRVVLMHGOY-UHFFFAOYSA-N 1 1 319.408 3.641 20 30 DHEDMO Cc1cccc(NCc2cn(CCC#N)nc2-c2ccccc2)[nH+]1 ZINC000131203050 1025688498 /nfs/dbraw/zinc/68/84/98/1025688498.db2.gz KVHOOYJAUCGOCN-UHFFFAOYSA-N 1 1 317.396 3.779 20 30 DHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)O[C@@H](CC)CC#N)cc1 ZINC000805928456 1025720309 /nfs/dbraw/zinc/72/03/09/1025720309.db2.gz NLANYCRSGXJZAK-KRWDZBQOSA-N 1 1 302.418 3.768 20 30 DHEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1cnc2c(C#N)cnn2c1 ZINC000573564247 1025725245 /nfs/dbraw/zinc/72/52/45/1025725245.db2.gz BAWUFUMJBZGRMJ-SFHVURJKSA-N 1 1 319.412 3.574 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000133205989 1025768968 /nfs/dbraw/zinc/76/89/68/1025768968.db2.gz MRUAIVFRXSDKFB-MRXNPFEDSA-N 1 1 323.444 3.939 20 30 DHEDMO N#CCCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134467704 1025808277 /nfs/dbraw/zinc/80/82/77/1025808277.db2.gz KEEIWBJPUXVGOU-JTQLQIEISA-N 1 1 303.353 3.645 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000614176080 1025811833 /nfs/dbraw/zinc/81/18/33/1025811833.db2.gz AKKGZBQXRUHINO-ROUUACIJSA-N 1 1 312.457 3.736 20 30 DHEDMO N#CC1(CC[N@H+]2CCCN(c3nccs3)CC2)CCCCC1 ZINC000411187980 1025866104 /nfs/dbraw/zinc/86/61/04/1025866104.db2.gz SZBATEOEEGOSPC-UHFFFAOYSA-N 1 1 318.490 3.519 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2c(F)cncc2F)cc1 ZINC000353145462 1025869897 /nfs/dbraw/zinc/86/98/97/1025869897.db2.gz WQCKKAOXTBPXFJ-LBPRGKRZSA-N 1 1 304.340 3.775 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H]1CCCCO1 ZINC000356089238 1025943391 /nfs/dbraw/zinc/94/33/91/1025943391.db2.gz PRWKCXAGXJDVPH-AWEZNQCLSA-N 1 1 312.335 3.578 20 30 DHEDMO C[C@H]1CCCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000078575451 1025948124 /nfs/dbraw/zinc/94/81/24/1025948124.db2.gz GYZGYPGKLCHERZ-HNNXBMFYSA-N 1 1 309.413 3.612 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000078575451 1025948142 /nfs/dbraw/zinc/94/81/42/1025948142.db2.gz GYZGYPGKLCHERZ-HNNXBMFYSA-N 1 1 309.413 3.612 20 30 DHEDMO CC1CCC([N@@H+](Cc2nc(C#N)cs2)C[C@H]2CCCO2)CC1 ZINC000356111894 1025952053 /nfs/dbraw/zinc/95/20/53/1025952053.db2.gz OFLUIUSHXBGBAR-AVVWSFFYSA-N 1 1 319.474 3.574 20 30 DHEDMO CC1CCC([N@H+](Cc2nc(C#N)cs2)C[C@H]2CCCO2)CC1 ZINC000356111894 1025952069 /nfs/dbraw/zinc/95/20/69/1025952069.db2.gz OFLUIUSHXBGBAR-AVVWSFFYSA-N 1 1 319.474 3.574 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C[C@H](C)c2nccs2)cc1 ZINC000248490849 1025967245 /nfs/dbraw/zinc/96/72/45/1025967245.db2.gz NPWNPOPHDXOXGM-UONOGXRCSA-N 1 1 315.442 3.669 20 30 DHEDMO COc1ccc(C#N)cc1C[NH2+]C(C)(C)c1ccc(F)cc1F ZINC000886897970 1025973937 /nfs/dbraw/zinc/97/39/37/1025973937.db2.gz NHUNSRZWBINYNE-UHFFFAOYSA-N 1 1 316.351 3.870 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC3CCC2CC3)c(Br)c1 ZINC001137638179 1026059438 /nfs/dbraw/zinc/05/94/38/1026059438.db2.gz VEDROVLJTHRMDI-UHFFFAOYSA-N 1 1 305.219 3.695 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000356506802 1026067508 /nfs/dbraw/zinc/06/75/08/1026067508.db2.gz PVJLLQBHHJZTPW-MRXNPFEDSA-N 1 1 317.820 3.548 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000356530923 1026077736 /nfs/dbraw/zinc/07/77/36/1026077736.db2.gz RMSINNGTOLGTRC-OALUTQOASA-N 1 1 313.441 3.785 20 30 DHEDMO C=CCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000807573074 1026084362 /nfs/dbraw/zinc/08/43/62/1026084362.db2.gz ZRNMYNMPCOMTFR-SJORKVTESA-N 1 1 309.498 3.637 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C)cc1OCCCC#N ZINC000245564327 1026088579 /nfs/dbraw/zinc/08/85/79/1026088579.db2.gz QOHJZAQTGXBHGW-HOTGVXAUSA-N 1 1 316.445 3.998 20 30 DHEDMO C=CCCCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000807592559 1026096274 /nfs/dbraw/zinc/09/62/74/1026096274.db2.gz RGTHZUILKRJFBJ-QZTJIDSGSA-N 1 1 323.525 3.885 20 30 DHEDMO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000532957855 1026156221 /nfs/dbraw/zinc/15/62/21/1026156221.db2.gz KHDPTGXVKDGQIO-IIBYNOLFSA-N 1 1 320.436 3.961 20 30 DHEDMO CCC[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000533002269 1026169554 /nfs/dbraw/zinc/16/95/54/1026169554.db2.gz IABKEZRCSNMCOG-UHFFFAOYSA-N 1 1 306.384 3.961 20 30 DHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1C ZINC000614396778 1026291172 /nfs/dbraw/zinc/29/11/72/1026291172.db2.gz MODMLCXTCFLFLV-UHFFFAOYSA-N 1 1 321.380 3.963 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1C ZINC000614396778 1026291184 /nfs/dbraw/zinc/29/11/84/1026291184.db2.gz MODMLCXTCFLFLV-UHFFFAOYSA-N 1 1 321.380 3.963 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000614407740 1026304519 /nfs/dbraw/zinc/30/45/19/1026304519.db2.gz YJSPYCSTHDRZKL-SFHVURJKSA-N 1 1 306.409 3.768 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000576508692 1026351079 /nfs/dbraw/zinc/35/10/79/1026351079.db2.gz IHKXXLKZNSVPDD-WFASDCNBSA-N 1 1 303.793 3.587 20 30 DHEDMO C=C(Br)C[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000808793712 1026395535 /nfs/dbraw/zinc/39/55/35/1026395535.db2.gz QXFMPVNOMOKSPL-AOOOYVTPSA-N 1 1 300.162 3.948 20 30 DHEDMO CCCC[N@@H+](C)C[C@H](C)N[C@H](C)c1ccc(C#N)cc1Cl ZINC000576546516 1026396197 /nfs/dbraw/zinc/39/61/97/1026396197.db2.gz UKIBASSUNMZVKS-UONOGXRCSA-N 1 1 307.869 3.983 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1F ZINC000729268132 1026405371 /nfs/dbraw/zinc/40/53/71/1026405371.db2.gz MPPXTOFRYACXNK-UHFFFAOYSA-N 1 1 310.372 3.916 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1F ZINC000729268132 1026405377 /nfs/dbraw/zinc/40/53/77/1026405377.db2.gz MPPXTOFRYACXNK-UHFFFAOYSA-N 1 1 310.372 3.916 20 30 DHEDMO COc1ccccc1O[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000513381051 1026489618 /nfs/dbraw/zinc/48/96/18/1026489618.db2.gz OISIVXUFIITRFN-IBGZPJMESA-N 1 1 321.420 3.590 20 30 DHEDMO COc1ccccc1O[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000513381051 1026489623 /nfs/dbraw/zinc/48/96/23/1026489623.db2.gz OISIVXUFIITRFN-IBGZPJMESA-N 1 1 321.420 3.590 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000513466851 1026516580 /nfs/dbraw/zinc/51/65/80/1026516580.db2.gz LOGACJQEDBWAAH-MRXNPFEDSA-N 1 1 320.864 3.573 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC3)C2)cc1Cl ZINC000513466851 1026516586 /nfs/dbraw/zinc/51/65/86/1026516586.db2.gz LOGACJQEDBWAAH-MRXNPFEDSA-N 1 1 320.864 3.573 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC3)C2)cc1Cl ZINC000513466851 1026516593 /nfs/dbraw/zinc/51/65/93/1026516593.db2.gz LOGACJQEDBWAAH-MRXNPFEDSA-N 1 1 320.864 3.573 20 30 DHEDMO C#Cc1ccc(C[N@@H+](CCC)CC(=O)Nc2ccccc2C)cc1 ZINC000809542333 1026548765 /nfs/dbraw/zinc/54/87/65/1026548765.db2.gz XTUMPLWNUDIAOB-UHFFFAOYSA-N 1 1 320.436 3.827 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000809546586 1026557800 /nfs/dbraw/zinc/55/78/00/1026557800.db2.gz BLIQNUHLYHZQKE-LJQANCHMSA-N 1 1 311.812 3.895 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000809546586 1026557804 /nfs/dbraw/zinc/55/78/04/1026557804.db2.gz BLIQNUHLYHZQKE-LJQANCHMSA-N 1 1 311.812 3.895 20 30 DHEDMO C#Cc1ccc(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000809556117 1026559993 /nfs/dbraw/zinc/55/99/93/1026559993.db2.gz ICTRBSNIMRNNJB-RXVVDRJESA-N 1 1 310.485 3.754 20 30 DHEDMO C#Cc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000809624078 1026575919 /nfs/dbraw/zinc/57/59/19/1026575919.db2.gz GEWQIDCPKSKEDS-AVRDEDQJSA-N 1 1 318.464 3.668 20 30 DHEDMO C#Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000809641270 1026580025 /nfs/dbraw/zinc/58/00/25/1026580025.db2.gz DOPVCGIMZGILCL-UHFFFAOYSA-N 1 1 300.745 3.519 20 30 DHEDMO C#C[C@@H](CC)[NH2+]Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000809686236 1026593565 /nfs/dbraw/zinc/59/35/65/1026593565.db2.gz CNISMTDJYLCCFB-HNNXBMFYSA-N 1 1 319.811 3.534 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccccc2N(C)C)cc1 ZINC000809787533 1026625789 /nfs/dbraw/zinc/62/57/89/1026625789.db2.gz HGNNZZFYAJPFGN-INIZCTEOSA-N 1 1 323.440 3.675 20 30 DHEDMO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(OC(F)F)cc1 ZINC000810148104 1026693195 /nfs/dbraw/zinc/69/31/95/1026693195.db2.gz DPBCMKWNUACEAB-ZDUSSCGKSA-N 1 1 323.368 3.857 20 30 DHEDMO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccccc1)c1ccc(C#N)s1 ZINC000366683629 1026857218 /nfs/dbraw/zinc/85/72/18/1026857218.db2.gz VUQRQMNTOHBOTD-SCLBCKFNSA-N 1 1 322.437 3.793 20 30 DHEDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CCCC(C)(C)C#N ZINC000420926014 1026878560 /nfs/dbraw/zinc/87/85/60/1026878560.db2.gz MPEBLIRRJNRYMG-GJZGRUSLSA-N 1 1 308.466 3.759 20 30 DHEDMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CCCC(C)(C)C#N ZINC000420926017 1026879185 /nfs/dbraw/zinc/87/91/85/1026879185.db2.gz MPEBLIRRJNRYMG-HUUCEWRRSA-N 1 1 308.466 3.759 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000016339528 1026950137 /nfs/dbraw/zinc/95/01/37/1026950137.db2.gz MIIZPJBZAITFOS-SFHVURJKSA-N 1 1 320.392 3.667 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000016339528 1026950146 /nfs/dbraw/zinc/95/01/46/1026950146.db2.gz MIIZPJBZAITFOS-SFHVURJKSA-N 1 1 320.392 3.667 20 30 DHEDMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C#N)s1 ZINC000421362298 1026964308 /nfs/dbraw/zinc/96/43/08/1026964308.db2.gz NCPXAQGFGNAIET-CHWSQXEVSA-N 1 1 320.458 3.562 20 30 DHEDMO CC1=C[C@H](C)C[C@@H](C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000811468418 1027006875 /nfs/dbraw/zinc/00/68/75/1027006875.db2.gz PVOMCKWGCNUGFJ-CVAIRZPRSA-N 1 1 310.441 3.924 20 30 DHEDMO COCC[N@H+](Cc1cccc(C#N)c1F)C[C@H]1CC=CCC1 ZINC000362258423 1027118551 /nfs/dbraw/zinc/11/85/51/1027118551.db2.gz AZASYFYSZLVQTJ-HNNXBMFYSA-N 1 1 302.393 3.502 20 30 DHEDMO C=CCCCCCCCNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000811915697 1027122193 /nfs/dbraw/zinc/12/21/93/1027122193.db2.gz IUPKNQVJGSWXAQ-UHFFFAOYSA-N 1 1 318.465 3.545 20 30 DHEDMO N#CC1(CCCC[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)CCC1 ZINC000931535249 1027155400 /nfs/dbraw/zinc/15/54/00/1027155400.db2.gz MFZOJMNODNHCGE-GOSISDBHSA-N 1 1 324.472 3.730 20 30 DHEDMO C[C@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000572626173 1027215971 /nfs/dbraw/zinc/21/59/71/1027215971.db2.gz RWBCWTMGZQSBTC-HNAYVOBHSA-N 1 1 311.473 3.646 20 30 DHEDMO C[C@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000572626173 1027215984 /nfs/dbraw/zinc/21/59/84/1027215984.db2.gz RWBCWTMGZQSBTC-HNAYVOBHSA-N 1 1 311.473 3.646 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2cncc(-c3cc(F)ccc3OC)c2)C1 ZINC000931714394 1027231575 /nfs/dbraw/zinc/23/15/75/1027231575.db2.gz GJVPRWGXKFDZMW-HNNXBMFYSA-N 1 1 324.399 3.742 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@@H+](C(C)C)[C@@H]2CCOC2)c1O ZINC000812290852 1027236808 /nfs/dbraw/zinc/23/68/08/1027236808.db2.gz GWJBCSFIQLVTBA-QGZVFWFLSA-N 1 1 319.445 3.519 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000572890440 1027239470 /nfs/dbraw/zinc/23/94/70/1027239470.db2.gz CAUUDUHAOZECRO-KRWDZBQOSA-N 1 1 302.462 3.712 20 30 DHEDMO C=C(C)CC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000931796682 1027257811 /nfs/dbraw/zinc/25/78/11/1027257811.db2.gz LKSPNICWVIMEKC-KRWDZBQOSA-N 1 1 301.821 3.977 20 30 DHEDMO C=C(C)CC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000931796682 1027257816 /nfs/dbraw/zinc/25/78/16/1027257816.db2.gz LKSPNICWVIMEKC-KRWDZBQOSA-N 1 1 301.821 3.977 20 30 DHEDMO C=CCCCCCCCNC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000812493279 1027300220 /nfs/dbraw/zinc/30/02/20/1027300220.db2.gz CYBMPNZLVMAYSL-UHFFFAOYSA-N 1 1 309.498 3.639 20 30 DHEDMO C=C[C@H](C)NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000362627925 1027318519 /nfs/dbraw/zinc/31/85/19/1027318519.db2.gz PFPSMVRDNBFDHY-AWEZNQCLSA-N 1 1 312.417 3.751 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnn2ccccc12 ZINC000362651984 1027331408 /nfs/dbraw/zinc/33/14/08/1027331408.db2.gz QWJNTAJYDGPYPR-ICSRJNTNSA-N 1 1 316.408 3.606 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnn2ccccc12 ZINC000362651984 1027331429 /nfs/dbraw/zinc/33/14/29/1027331429.db2.gz QWJNTAJYDGPYPR-ICSRJNTNSA-N 1 1 316.408 3.606 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000932075834 1027356874 /nfs/dbraw/zinc/35/68/74/1027356874.db2.gz RDXCTCVOEYVTIU-GWCFXTLKSA-N 1 1 300.349 3.599 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000932075834 1027356884 /nfs/dbraw/zinc/35/68/84/1027356884.db2.gz RDXCTCVOEYVTIU-GWCFXTLKSA-N 1 1 300.349 3.599 20 30 DHEDMO C[C@H]1SCC[N@H+](Cc2ccc(C#N)cn2)[C@H]1c1ccccc1 ZINC000562371986 1027393638 /nfs/dbraw/zinc/39/36/38/1027393638.db2.gz RHTZJDBXWRGJQD-RDTXWAMCSA-N 1 1 309.438 3.632 20 30 DHEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C#N)cn2)[C@H]1c1ccccc1 ZINC000562371986 1027393649 /nfs/dbraw/zinc/39/36/49/1027393649.db2.gz RHTZJDBXWRGJQD-RDTXWAMCSA-N 1 1 309.438 3.632 20 30 DHEDMO C[C@H]1SCC[N@H+](Cc2ccc(C#N)cn2)[C@@H]1c1ccccc1 ZINC000562371984 1027395606 /nfs/dbraw/zinc/39/56/06/1027395606.db2.gz RHTZJDBXWRGJQD-KDOFPFPSSA-N 1 1 309.438 3.632 20 30 DHEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C#N)cn2)[C@@H]1c1ccccc1 ZINC000562371984 1027395622 /nfs/dbraw/zinc/39/56/22/1027395622.db2.gz RHTZJDBXWRGJQD-KDOFPFPSSA-N 1 1 309.438 3.632 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932202095 1027409373 /nfs/dbraw/zinc/40/93/73/1027409373.db2.gz UGHZBLSNCBYJOK-ZDUSSCGKSA-N 1 1 315.417 3.609 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932202095 1027409382 /nfs/dbraw/zinc/40/93/82/1027409382.db2.gz UGHZBLSNCBYJOK-ZDUSSCGKSA-N 1 1 315.417 3.609 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc(F)cc1 ZINC000812794006 1027423134 /nfs/dbraw/zinc/42/31/34/1027423134.db2.gz MROVJIGGMXUCGP-FQEVSTJZSA-N 1 1 321.399 3.640 20 30 DHEDMO C#C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812794398 1027423340 /nfs/dbraw/zinc/42/33/40/1027423340.db2.gz ZYLRPLHBEFTWJE-UABRLCRWSA-N 1 1 310.328 3.711 20 30 DHEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812849950 1027445269 /nfs/dbraw/zinc/44/52/69/1027445269.db2.gz QZLVSLAUEARXIH-OXQOHEQNSA-N 1 1 324.424 3.533 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)cc(OC)c1 ZINC000362929999 1027447830 /nfs/dbraw/zinc/44/78/30/1027447830.db2.gz IUEICZPRJVDNCA-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812852565 1027448257 /nfs/dbraw/zinc/44/82/57/1027448257.db2.gz HJQAZVHRXKXUKQ-AUUYWEPGSA-N 1 1 312.388 3.641 20 30 DHEDMO COc1ncccc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000362938278 1027455608 /nfs/dbraw/zinc/45/56/08/1027455608.db2.gz KVXXEELAMFZKJN-UHFFFAOYSA-N 1 1 309.413 3.620 20 30 DHEDMO N#CCC[N@@H+](C1CCCC1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170695887 1027502366 /nfs/dbraw/zinc/50/23/66/1027502366.db2.gz PMZWIEUUCHTNEH-INIZCTEOSA-N 1 1 304.384 3.980 20 30 DHEDMO C=CCCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000363196696 1027555203 /nfs/dbraw/zinc/55/52/03/1027555203.db2.gz UICSJGMVDSGPCI-RTBURBONSA-N 1 1 312.457 3.608 20 30 DHEDMO CC(C)(C)OC(=O)NCC[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000932701708 1027589944 /nfs/dbraw/zinc/58/99/44/1027589944.db2.gz YUBGUGNQZSELHL-HNNXBMFYSA-N 1 1 323.481 3.553 20 30 DHEDMO C[C@@]1(Cc2ccc(Cl)s2)CCC[N@H+]1CCOCCC#N ZINC000932920835 1027651137 /nfs/dbraw/zinc/65/11/37/1027651137.db2.gz SMLXMUCXLJVMPO-HNNXBMFYSA-N 1 1 312.866 3.729 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CC[C@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC000933046815 1027665460 /nfs/dbraw/zinc/66/54/60/1027665460.db2.gz WSADFBJJSCMVTE-YJBOKZPZSA-N 1 1 321.465 3.544 20 30 DHEDMO CCC[N@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(C#N)cc1 ZINC000047740113 1027678931 /nfs/dbraw/zinc/67/89/31/1027678931.db2.gz GNXZCJCXCZIRHB-UHFFFAOYSA-N 1 1 322.368 3.613 20 30 DHEDMO CCC[N@@H+](Cc1nc(-c2ccco2)no1)Cc1ccc(C#N)cc1 ZINC000047740113 1027678941 /nfs/dbraw/zinc/67/89/41/1027678941.db2.gz GNXZCJCXCZIRHB-UHFFFAOYSA-N 1 1 322.368 3.613 20 30 DHEDMO C#CCC1([NH2+]Cc2noc(-c3ccsc3)n2)CCCCC1 ZINC000933268037 1027707294 /nfs/dbraw/zinc/70/72/94/1027707294.db2.gz QWUAGHPGYQYYNQ-UHFFFAOYSA-N 1 1 301.415 3.614 20 30 DHEDMO C=CC[N@@H+](CCCOc1ccc(C#N)cc1)CCc1ccco1 ZINC000778996888 1027739225 /nfs/dbraw/zinc/73/92/25/1027739225.db2.gz VLWGDXMWOYVRBB-UHFFFAOYSA-N 1 1 310.397 3.651 20 30 DHEDMO CC1(C)[C@@H]2C[C@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C[C@@H]21 ZINC001170715614 1027761387 /nfs/dbraw/zinc/76/13/87/1027761387.db2.gz JMXAZCYIDGXQMM-RNLVFQAGSA-N 1 1 307.253 3.844 20 30 DHEDMO Cc1cccc([C@@H]2CC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)c1 ZINC000363856020 1027763288 /nfs/dbraw/zinc/76/32/88/1027763288.db2.gz WYONIJUGHOFGHI-GOSISDBHSA-N 1 1 316.408 3.504 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@H+]([C@@H]3CCc4ccc(F)cc43)CCO2)cc1 ZINC000933627389 1027780128 /nfs/dbraw/zinc/78/01/28/1027780128.db2.gz KNYKVXLJVTXKQK-UXHICEINSA-N 1 1 322.383 3.758 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@@H+]([C@@H]3CCc4ccc(F)cc43)CCO2)cc1 ZINC000933627389 1027780144 /nfs/dbraw/zinc/78/01/44/1027780144.db2.gz KNYKVXLJVTXKQK-UXHICEINSA-N 1 1 322.383 3.758 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933630413 1027782440 /nfs/dbraw/zinc/78/24/40/1027782440.db2.gz SYXDLOQCOJFMCM-GOSISDBHSA-N 1 1 311.429 3.652 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933630413 1027782456 /nfs/dbraw/zinc/78/24/56/1027782456.db2.gz SYXDLOQCOJFMCM-GOSISDBHSA-N 1 1 311.429 3.652 20 30 DHEDMO CC(C)(C)OCCCC[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933629592 1027783233 /nfs/dbraw/zinc/78/32/33/1027783233.db2.gz PYDPCKSTZWNWQL-GOSISDBHSA-N 1 1 316.445 3.527 20 30 DHEDMO CC(C)(C)OCCCC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933629592 1027783253 /nfs/dbraw/zinc/78/32/53/1027783253.db2.gz PYDPCKSTZWNWQL-GOSISDBHSA-N 1 1 316.445 3.527 20 30 DHEDMO Cc1ccoc1C(=O)/C=C/c1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000365018480 1027894799 /nfs/dbraw/zinc/89/47/99/1027894799.db2.gz ORGCLSZVWSGURU-SNAWJCMRSA-N 1 1 316.426 3.707 20 30 DHEDMO Cc1ccoc1C(=O)/C=C/c1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000365018480 1027894812 /nfs/dbraw/zinc/89/48/12/1027894812.db2.gz ORGCLSZVWSGURU-SNAWJCMRSA-N 1 1 316.426 3.707 20 30 DHEDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000814179248 1027914348 /nfs/dbraw/zinc/91/43/48/1027914348.db2.gz QDIUVHBKIDCCLS-GDBMZVCRSA-N 1 1 304.459 3.552 20 30 DHEDMO C=CC[C@@H]1CC[N@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000934472142 1028016078 /nfs/dbraw/zinc/01/60/78/1028016078.db2.gz OZQYZVXKLVBLOH-CYBMUJFWSA-N 1 1 323.318 3.906 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000934472142 1028016095 /nfs/dbraw/zinc/01/60/95/1028016095.db2.gz OZQYZVXKLVBLOH-CYBMUJFWSA-N 1 1 323.318 3.906 20 30 DHEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000366346863 1028075876 /nfs/dbraw/zinc/07/58/76/1028075876.db2.gz JIYQHFUJHKWSCY-CGTJXYLNSA-N 1 1 312.457 3.733 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1 ZINC000366574523 1028100457 /nfs/dbraw/zinc/10/04/57/1028100457.db2.gz YKLAONQYYSRNLX-KXBFYZLASA-N 1 1 321.424 3.956 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1 ZINC000366574523 1028100465 /nfs/dbraw/zinc/10/04/65/1028100465.db2.gz YKLAONQYYSRNLX-KXBFYZLASA-N 1 1 321.424 3.956 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N(C)CCCn2cc[nH+]c2C)c1 ZINC000934879340 1028136711 /nfs/dbraw/zinc/13/67/11/1028136711.db2.gz FDODHMSXCUPFBR-UHFFFAOYSA-N 1 1 312.417 3.779 20 30 DHEDMO N#CC1(CC[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)CCCCC1 ZINC000578420569 1028146956 /nfs/dbraw/zinc/14/69/56/1028146956.db2.gz HHZFCRYHGGAYAO-CQSZACIVSA-N 1 1 318.383 3.894 20 30 DHEDMO Cc1cc(C)nc(N=NC2CCC[N@@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000814681676 1028150507 /nfs/dbraw/zinc/15/05/07/1028150507.db2.gz XNCMNYVWBJQEPL-INIZCTEOSA-N 1 1 323.444 3.546 20 30 DHEDMO CC(=NNc1ccc(F)cc1F)c1cccc(C[NH+](C)C)c1 ZINC000814686721 1028168207 /nfs/dbraw/zinc/16/82/07/1028168207.db2.gz XOPAARQRVRUVOV-UHFFFAOYSA-N 1 1 303.356 3.863 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000367438725 1028184183 /nfs/dbraw/zinc/18/41/83/1028184183.db2.gz OVKMYFMWKUQKMN-UHFFFAOYSA-N 1 1 321.415 3.807 20 30 DHEDMO CC(N=Nc1cc(F)cc(F)c1)c1ccc(C[NH+](C)C)cc1 ZINC000814813266 1028220385 /nfs/dbraw/zinc/22/03/85/1028220385.db2.gz LUBNTJVAFSXSOC-UHFFFAOYSA-N 1 1 303.356 3.863 20 30 DHEDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CCO2 ZINC000367716748 1028230800 /nfs/dbraw/zinc/23/08/00/1028230800.db2.gz BMJYESLZHXBGIW-INIZCTEOSA-N 1 1 322.408 3.681 20 30 DHEDMO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CCO2 ZINC000367716748 1028230817 /nfs/dbraw/zinc/23/08/17/1028230817.db2.gz BMJYESLZHXBGIW-INIZCTEOSA-N 1 1 322.408 3.681 20 30 DHEDMO Cc1ccc(N=NC2CCC[N@@H+](Cc3ccccc3)[C@H]2C)nc1 ZINC000814831560 1028236986 /nfs/dbraw/zinc/23/69/86/1028236986.db2.gz HOJCIVNFVROCBD-INIZCTEOSA-N 1 1 308.429 3.842 20 30 DHEDMO C[C@@H]1C(N=Nc2ccc(F)cn2)CCC[N@H+]1Cc1ccccc1 ZINC000814842597 1028241214 /nfs/dbraw/zinc/24/12/14/1028241214.db2.gz MFNSNLTYXGFSSI-CQSZACIVSA-N 1 1 312.392 3.673 20 30 DHEDMO C[C@H]1C(N=Nc2ccc(F)cn2)CCC[N@H+]1Cc1ccccc1 ZINC000814842596 1028242693 /nfs/dbraw/zinc/24/26/93/1028242693.db2.gz MFNSNLTYXGFSSI-AWEZNQCLSA-N 1 1 312.392 3.673 20 30 DHEDMO CC(=[NH+]NCCc1ccccc1F)c1ccc(Cl)c(N)c1 ZINC000814875352 1028257145 /nfs/dbraw/zinc/25/71/45/1028257145.db2.gz CZRUHBINWGUOEE-UHFFFAOYSA-N 1 1 305.784 3.618 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CC[C@@H]1CCCC1(F)F ZINC001170769907 1028262056 /nfs/dbraw/zinc/26/20/56/1028262056.db2.gz WZSQWMXVXTWZNF-KRWDZBQOSA-N 1 1 322.399 3.832 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@H]3CCCC[C@H]32)cc1OCCCC#N ZINC000367955318 1028266814 /nfs/dbraw/zinc/26/68/14/1028266814.db2.gz HOCSXKQKVLAWOS-IAGOWNOFSA-N 1 1 314.429 3.752 20 30 DHEDMO C[C@H]1C(N=Nc2ncccc2F)CCC[N@H+]1Cc1ccccc1 ZINC000814927296 1028285837 /nfs/dbraw/zinc/28/58/37/1028285837.db2.gz GPRRBYUWNXSEJV-AWEZNQCLSA-N 1 1 312.392 3.673 20 30 DHEDMO CC(=[NH+]N[C@@H](C)COc1ccccc1)c1ccc(Cl)c(N)c1 ZINC000814935759 1028291554 /nfs/dbraw/zinc/29/15/54/1028291554.db2.gz RBSAEUDRLJGRIL-LBPRGKRZSA-N 1 1 317.820 3.703 20 30 DHEDMO CCOc1ccc(N[NH+]=C(C)c2cc(F)c(N)c(F)c2)cc1 ZINC000814985008 1028320204 /nfs/dbraw/zinc/32/02/04/1028320204.db2.gz ORYMCACHQUJHJK-UHFFFAOYSA-N 1 1 305.328 3.782 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC000579137643 1028335089 /nfs/dbraw/zinc/33/50/89/1028335089.db2.gz HBRXZYPOEAMNJX-RNJTYBCJSA-N 1 1 318.486 3.771 20 30 DHEDMO CCCCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000935623988 1028339027 /nfs/dbraw/zinc/33/90/27/1028339027.db2.gz IZWINSAAMXYAQY-GOSISDBHSA-N 1 1 302.462 3.738 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cc1 ZINC000579251528 1028362671 /nfs/dbraw/zinc/36/26/71/1028362671.db2.gz XYIZIXLCDFUWFA-OAQYLSRUSA-N 1 1 321.395 3.647 20 30 DHEDMO C#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000368578173 1028376693 /nfs/dbraw/zinc/37/66/93/1028376693.db2.gz KOVPGSFVHZILTC-IEBWSBKVSA-N 1 1 310.466 3.512 20 30 DHEDMO C#Cc1ccc(C[NH2+]C[C@H]2CCN(C)[C@H]2c2cccs2)cc1 ZINC000368578173 1028376711 /nfs/dbraw/zinc/37/67/11/1028376711.db2.gz KOVPGSFVHZILTC-IEBWSBKVSA-N 1 1 310.466 3.512 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368591381 1028381078 /nfs/dbraw/zinc/38/10/78/1028381078.db2.gz HELIPKFTZJYRKB-UWJYYQICSA-N 1 1 320.436 3.993 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)cc1 ZINC000815152374 1028381533 /nfs/dbraw/zinc/38/15/33/1028381533.db2.gz NFPYZDOICOMKJI-LLVKDONJSA-N 1 1 320.314 3.685 20 30 DHEDMO C=C(Br)C[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000815154309 1028387080 /nfs/dbraw/zinc/38/70/80/1028387080.db2.gz MOJQZQAUMYRAQU-NSHDSACASA-N 1 1 324.197 3.571 20 30 DHEDMO C#CCCC[N@@H+]1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815202433 1028424978 /nfs/dbraw/zinc/42/49/78/1028424978.db2.gz RIKYFGCMSKCMSN-IRXDYDNUSA-N 1 1 320.477 3.511 20 30 DHEDMO CC(C)(C#N)CCCCN1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000369001405 1028432475 /nfs/dbraw/zinc/43/24/75/1028432475.db2.gz LPCLBRPMSIKEHQ-SFHVURJKSA-N 1 1 305.510 3.904 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)CCC1CCOCC1 ZINC000779158650 1028476972 /nfs/dbraw/zinc/47/69/72/1028476972.db2.gz VEZZQVLBVBWRSK-UHFFFAOYSA-N 1 1 321.848 3.601 20 30 DHEDMO CC(C)(C)OC(=O)N1CCC[N@@H+](CCCCC(C)(C)C#N)CC1 ZINC000369366555 1028480937 /nfs/dbraw/zinc/48/09/37/1028480937.db2.gz PJWZMBFLBQUPKA-UHFFFAOYSA-N 1 1 323.481 3.649 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000564622233 1028481530 /nfs/dbraw/zinc/48/15/30/1028481530.db2.gz LLUAFDSCHOWWOU-UHFFFAOYSA-N 1 1 320.502 3.917 20 30 DHEDMO N#CCCC1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1 ZINC000564654097 1028487903 /nfs/dbraw/zinc/48/79/03/1028487903.db2.gz WORCJPMOUIZVCJ-UHFFFAOYSA-N 1 1 312.442 3.721 20 30 DHEDMO N#C[C@@H](OC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CCCCC1 ZINC000815444477 1028501765 /nfs/dbraw/zinc/50/17/65/1028501765.db2.gz COBFECYCOSXXFE-ZWKOTPCHSA-N 1 1 318.461 3.799 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2cccc(S(C)(=O)=O)c2)CCCC1(C)C ZINC000449285879 1028509519 /nfs/dbraw/zinc/50/95/19/1028509519.db2.gz TYQJCVZXLBPEOA-KRWDZBQOSA-N 1 1 321.486 3.657 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2cccc(S(C)(=O)=O)c2)CCCC1(C)C ZINC000449285879 1028509528 /nfs/dbraw/zinc/50/95/28/1028509528.db2.gz TYQJCVZXLBPEOA-KRWDZBQOSA-N 1 1 321.486 3.657 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000565047193 1028532421 /nfs/dbraw/zinc/53/24/21/1028532421.db2.gz CXICWIGVLQESFJ-QGZVFWFLSA-N 1 1 321.380 3.846 20 30 DHEDMO CCOc1ccccc1C1=CC[N@@H+](CCCSCC#N)CC1 ZINC000369837850 1028538825 /nfs/dbraw/zinc/53/88/25/1028538825.db2.gz LEWDVDMFTFKGMX-UHFFFAOYSA-N 1 1 316.470 3.821 20 30 DHEDMO C=CCN(CC)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000369848791 1028538936 /nfs/dbraw/zinc/53/89/36/1028538936.db2.gz WWASACUWCXWRIZ-MRXNPFEDSA-N 1 1 315.461 3.528 20 30 DHEDMO COc1ccc(C[C@H]2CCC[N@@H+](CCCSCC#N)C2)cc1 ZINC000369837464 1028539069 /nfs/dbraw/zinc/53/90/69/1028539069.db2.gz FFAFNMBTSJHQHO-QGZVFWFLSA-N 1 1 318.486 3.597 20 30 DHEDMO CCCOc1c(Cl)cc(C[NH2+]CC2(C#N)CC2)cc1OC ZINC000565282301 1028568212 /nfs/dbraw/zinc/56/82/12/1028568212.db2.gz QYNJKWMAJCPVKJ-UHFFFAOYSA-N 1 1 308.809 3.531 20 30 DHEDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000370414815 1028598331 /nfs/dbraw/zinc/59/83/31/1028598331.db2.gz LLVYFKVHIWBYQR-GOSISDBHSA-N 1 1 313.832 3.571 20 30 DHEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000370414815 1028598343 /nfs/dbraw/zinc/59/83/43/1028598343.db2.gz LLVYFKVHIWBYQR-GOSISDBHSA-N 1 1 313.832 3.571 20 30 DHEDMO Cc1cnc([C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)s1 ZINC000370426530 1028598753 /nfs/dbraw/zinc/59/87/53/1028598753.db2.gz YJGAIJQBJXLJFF-AWEZNQCLSA-N 1 1 315.417 3.842 20 30 DHEDMO CC(C)[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000528639887 1028608538 /nfs/dbraw/zinc/60/85/38/1028608538.db2.gz MZVWQYQJDXCIHW-AQNXPRMDSA-N 1 1 311.473 3.521 20 30 DHEDMO CC(C)[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000528639887 1028608545 /nfs/dbraw/zinc/60/85/45/1028608545.db2.gz MZVWQYQJDXCIHW-AQNXPRMDSA-N 1 1 311.473 3.521 20 30 DHEDMO CC(C)[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000528639887 1028608550 /nfs/dbraw/zinc/60/85/50/1028608550.db2.gz MZVWQYQJDXCIHW-AQNXPRMDSA-N 1 1 311.473 3.521 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3C[C@H]4CCCCCC[C@@H]43)o2)cc1 ZINC000370546716 1028616038 /nfs/dbraw/zinc/61/60/38/1028616038.db2.gz MUBHWICFGQKTIX-SJORKVTESA-N 1 1 322.412 3.763 20 30 DHEDMO N#CCCn1cc(C[N@H+]2CCC[C@H]2C2CC2)c(-c2ccccc2)n1 ZINC000371418316 1028706446 /nfs/dbraw/zinc/70/64/46/1028706446.db2.gz CAPZSTSMZGLFGO-IBGZPJMESA-N 1 1 320.440 3.838 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2csc(C)n2)cc1 ZINC000189932526 1028715589 /nfs/dbraw/zinc/71/55/89/1028715589.db2.gz NFFUPCAKUOPPPV-GOSISDBHSA-N 1 1 312.438 3.801 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2csc(C)n2)cc1 ZINC000189932526 1028715606 /nfs/dbraw/zinc/71/56/06/1028715606.db2.gz NFFUPCAKUOPPPV-GOSISDBHSA-N 1 1 312.438 3.801 20 30 DHEDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000371478689 1028723290 /nfs/dbraw/zinc/72/32/90/1028723290.db2.gz YUSKNSZRFOTFSB-RBUKOAKNSA-N 1 1 322.408 3.673 20 30 DHEDMO COc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1O ZINC000371562505 1028732006 /nfs/dbraw/zinc/73/20/06/1028732006.db2.gz VZSJGRZYBBKRGS-QZTJIDSGSA-N 1 1 322.408 3.673 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1O ZINC000371562505 1028732021 /nfs/dbraw/zinc/73/20/21/1028732021.db2.gz VZSJGRZYBBKRGS-QZTJIDSGSA-N 1 1 322.408 3.673 20 30 DHEDMO COc1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1O ZINC000371562506 1028732860 /nfs/dbraw/zinc/73/28/60/1028732860.db2.gz VZSJGRZYBBKRGS-ROUUACIJSA-N 1 1 322.408 3.673 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1O ZINC000371562506 1028732870 /nfs/dbraw/zinc/73/28/70/1028732870.db2.gz VZSJGRZYBBKRGS-ROUUACIJSA-N 1 1 322.408 3.673 20 30 DHEDMO N#Cc1ccc(-c2cnc(C[N@H+]3CCC[C@H]4CCC[C@@H]43)o2)cc1 ZINC000371786411 1028758624 /nfs/dbraw/zinc/75/86/24/1028758624.db2.gz IKZMCXAUJICPLY-WBVHZDCISA-N 1 1 307.397 3.978 20 30 DHEDMO CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000528775879 1028798581 /nfs/dbraw/zinc/79/85/81/1028798581.db2.gz SUYRAGFYRBZEQI-GOSISDBHSA-N 1 1 309.388 3.860 20 30 DHEDMO C[NH+](C)[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)C1CCCCC1 ZINC000566944069 1028808091 /nfs/dbraw/zinc/80/80/91/1028808091.db2.gz VKVZZHMYVHMEFH-UXHICEINSA-N 1 1 311.473 3.646 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)CC1CCC2(CC1)OCCO2 ZINC000190172691 1028828233 /nfs/dbraw/zinc/82/82/33/1028828233.db2.gz WKKWPBSFMLFQSH-UHFFFAOYSA-N 1 1 301.430 3.608 20 30 DHEDMO CCCCCCCC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372426206 1028853828 /nfs/dbraw/zinc/85/38/28/1028853828.db2.gz LNVWFWNOAXPHNO-HKUYNNGSSA-N 1 1 317.477 3.551 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1c(O)ccc2ccncc21 ZINC000778585801 1028889134 /nfs/dbraw/zinc/88/91/34/1028889134.db2.gz VLYIDPJORAMMLH-UHFFFAOYSA-N 1 1 308.381 3.764 20 30 DHEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567739210 1028945718 /nfs/dbraw/zinc/94/57/18/1028945718.db2.gz FROXCIAALWZGIT-KDOFPFPSSA-N 1 1 321.380 3.844 20 30 DHEDMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000373086006 1028949051 /nfs/dbraw/zinc/94/90/51/1028949051.db2.gz AVHWDAJAVJXRKY-OAHLLOKOSA-N 1 1 312.392 3.859 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000449735358 1028958553 /nfs/dbraw/zinc/95/85/53/1028958553.db2.gz QMLRIAPOIXOHLV-BEFAXECRSA-N 1 1 323.415 3.622 20 30 DHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000449735358 1028958564 /nfs/dbraw/zinc/95/85/64/1028958564.db2.gz QMLRIAPOIXOHLV-BEFAXECRSA-N 1 1 323.415 3.622 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1OC ZINC000567906265 1028971516 /nfs/dbraw/zinc/97/15/16/1028971516.db2.gz VFQOQQGDAXDVMT-SFHVURJKSA-N 1 1 324.424 3.645 20 30 DHEDMO C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000567989437 1028988431 /nfs/dbraw/zinc/98/84/31/1028988431.db2.gz GEJIOCWYDGXRHQ-AWEZNQCLSA-N 1 1 309.369 3.702 20 30 DHEDMO C=CC[N@H+](CCc1cnn(CC)c1)Cc1ccc(Cl)s1 ZINC000411137225 1029039543 /nfs/dbraw/zinc/03/95/43/1029039543.db2.gz PGSBCSBCPNMVEA-UHFFFAOYSA-N 1 1 309.866 3.849 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCCC(F)(F)CC2)cc1OC ZINC000628422365 1029046849 /nfs/dbraw/zinc/04/68/49/1029046849.db2.gz ZMDDKARJSJKXDE-UHFFFAOYSA-N 1 1 311.372 3.881 20 30 DHEDMO N#CC1(CCN2CCC[C@@H]([NH+]3CCCC3)CC2)CCCCC1 ZINC000411297544 1029097725 /nfs/dbraw/zinc/09/77/25/1029097725.db2.gz UIHGXJAYTBYQEV-GOSISDBHSA-N 1 1 303.494 3.801 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000411325139 1029102938 /nfs/dbraw/zinc/10/29/38/1029102938.db2.gz NQCFRMNWXMDLBK-UONOGXRCSA-N 1 1 303.475 3.894 20 30 DHEDMO C=CCC1(C(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)CCCCC1 ZINC000449990590 1029130039 /nfs/dbraw/zinc/13/00/39/1029130039.db2.gz SDDQMJCLRASWRG-KRWDZBQOSA-N 1 1 306.494 3.703 20 30 DHEDMO Cn1cc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)cc1C#N ZINC000373826152 1029144911 /nfs/dbraw/zinc/14/49/11/1029144911.db2.gz XAJKKHTUAXAREF-KRWDZBQOSA-N 1 1 320.396 3.765 20 30 DHEDMO Cn1cc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)cc1C#N ZINC000373826152 1029144918 /nfs/dbraw/zinc/14/49/18/1029144918.db2.gz XAJKKHTUAXAREF-KRWDZBQOSA-N 1 1 320.396 3.765 20 30 DHEDMO N#CC1(CC[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)CCCCC1 ZINC000411746449 1029198134 /nfs/dbraw/zinc/19/81/34/1029198134.db2.gz OGPWBRZGNKNVOL-IAGOWNOFSA-N 1 1 302.462 3.884 20 30 DHEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2ccc(C#N)cn2)c1 ZINC000569235668 1029198799 /nfs/dbraw/zinc/19/87/99/1029198799.db2.gz XDWAJIRBLDEBJX-KUHUBIRLSA-N 1 1 307.397 3.545 20 30 DHEDMO COc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc1Cl ZINC000155406095 1029231875 /nfs/dbraw/zinc/23/18/75/1029231875.db2.gz YQGGHVKWNWGYTI-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1Cl ZINC000155406095 1029231887 /nfs/dbraw/zinc/23/18/87/1029231887.db2.gz YQGGHVKWNWGYTI-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO Cc1cnc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)s1 ZINC000374234712 1029252812 /nfs/dbraw/zinc/25/28/12/1029252812.db2.gz ULHCSYFVAQPZJG-OAHLLOKOSA-N 1 1 315.417 3.842 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411946410 1029254461 /nfs/dbraw/zinc/25/44/61/1029254461.db2.gz OFGFKWKOBQPDNX-QUCCMNQESA-N 1 1 320.436 3.796 20 30 DHEDMO Cc1cc(F)cc([C@@]2(F)CC[N@H+](CCCSCC#N)C2)c1 ZINC000374294070 1029278043 /nfs/dbraw/zinc/27/80/43/1029278043.db2.gz RAZRVNLEZIACRT-MRXNPFEDSA-N 1 1 310.413 3.652 20 30 DHEDMO Cc1cc(F)cc([C@@]2(F)CC[N@@H+](CCCSCC#N)C2)c1 ZINC000374294070 1029278054 /nfs/dbraw/zinc/27/80/54/1029278054.db2.gz RAZRVNLEZIACRT-MRXNPFEDSA-N 1 1 310.413 3.652 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC=C(c3cncc(F)c3)CC2)c(F)c1 ZINC000374306683 1029281933 /nfs/dbraw/zinc/28/19/33/1029281933.db2.gz BFHBNQVZAJGEJG-UHFFFAOYSA-N 1 1 311.335 3.521 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3cncc(F)c3)CC2)c(F)c1 ZINC000374306683 1029281947 /nfs/dbraw/zinc/28/19/47/1029281947.db2.gz BFHBNQVZAJGEJG-UHFFFAOYSA-N 1 1 311.335 3.521 20 30 DHEDMO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000218681707 1029304825 /nfs/dbraw/zinc/30/48/25/1029304825.db2.gz NTFSCHHMCIZSJA-LLVKDONJSA-N 1 1 321.421 3.660 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000218681707 1029304838 /nfs/dbraw/zinc/30/48/38/1029304838.db2.gz NTFSCHHMCIZSJA-LLVKDONJSA-N 1 1 321.421 3.660 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC(C)(C)C1 ZINC000412039800 1029307141 /nfs/dbraw/zinc/30/71/41/1029307141.db2.gz QEUNMCMGDHQMCB-UHFFFAOYSA-N 1 1 319.836 3.661 20 30 DHEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1Cl)C1CCCC1 ZINC000155818232 1029308693 /nfs/dbraw/zinc/30/86/93/1029308693.db2.gz IVTFEKJDABSMPX-UHFFFAOYSA-N 1 1 304.821 3.546 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000374369013 1029318793 /nfs/dbraw/zinc/31/87/93/1029318793.db2.gz XKFFLQNPINKAKX-KRWDZBQOSA-N 1 1 312.457 3.736 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450297994 1029332199 /nfs/dbraw/zinc/33/21/99/1029332199.db2.gz KXIORZUNGGHQMG-LAUBAEHRSA-N 1 1 320.436 3.711 20 30 DHEDMO N#CC1(c2ccccn2)CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000374490648 1029357366 /nfs/dbraw/zinc/35/73/66/1029357366.db2.gz BCCMZDDXECOFJD-UHFFFAOYSA-N 1 1 320.421 3.753 20 30 DHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC1(C#N)CCC1 ZINC000450332063 1029366164 /nfs/dbraw/zinc/36/61/64/1029366164.db2.gz MRZVGZJEBBKUGF-UHFFFAOYSA-N 1 1 308.429 3.635 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](c3ccccc3)CC2)cc1 ZINC000156049136 1029367766 /nfs/dbraw/zinc/36/77/66/1029367766.db2.gz ZZVPVHFFQZBFGE-CTNGQTDRSA-N 1 1 320.436 3.861 20 30 DHEDMO Cc1ccccc1C1=CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000374613740 1029403875 /nfs/dbraw/zinc/40/38/75/1029403875.db2.gz PFVKINVKGSFLJW-OAQYLSRUSA-N 1 1 318.420 3.689 20 30 DHEDMO N#CCCC[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000374627324 1029408467 /nfs/dbraw/zinc/40/84/67/1029408467.db2.gz ONTSEENYYBZROB-AWEZNQCLSA-N 1 1 300.299 3.880 20 30 DHEDMO N#CCCC[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000374627324 1029408472 /nfs/dbraw/zinc/40/84/72/1029408472.db2.gz ONTSEENYYBZROB-AWEZNQCLSA-N 1 1 300.299 3.880 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000374741706 1029447901 /nfs/dbraw/zinc/44/79/01/1029447901.db2.gz CQAWXVOKJJVVLI-KXBFYZLASA-N 1 1 316.408 3.916 20 30 DHEDMO N#CC1(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CCC1 ZINC000450498822 1029525659 /nfs/dbraw/zinc/52/56/59/1029525659.db2.gz JILUKLAMYAMZEH-AWEZNQCLSA-N 1 1 315.486 3.895 20 30 DHEDMO N#CC1(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CCC1 ZINC000450498822 1029525663 /nfs/dbraw/zinc/52/56/63/1029525663.db2.gz JILUKLAMYAMZEH-AWEZNQCLSA-N 1 1 315.486 3.895 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](C[C@H]3CCCCC3(F)F)CCO2)c1 ZINC000450653174 1029596753 /nfs/dbraw/zinc/59/67/53/1029596753.db2.gz VMCBUSANWGDGID-SJORKVTESA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H]3CCCCC3(F)F)CCO2)c1 ZINC000450653174 1029596757 /nfs/dbraw/zinc/59/67/57/1029596757.db2.gz VMCBUSANWGDGID-SJORKVTESA-N 1 1 320.383 3.757 20 30 DHEDMO FC(F)(F)Oc1ccc(C#CCn2cc[nH+]c2C2CC2)cc1 ZINC000530129117 1029755529 /nfs/dbraw/zinc/75/55/29/1029755529.db2.gz HMKMJQYPCURQSD-UHFFFAOYSA-N 1 1 306.287 3.711 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451281464 1029835896 /nfs/dbraw/zinc/83/58/96/1029835896.db2.gz JNKYFTYDGKDNPV-IEBWSBKVSA-N 1 1 318.436 3.506 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCC2(F)CCOCC2)cc1 ZINC001168129030 1029841113 /nfs/dbraw/zinc/84/11/13/1029841113.db2.gz BCVOKLVNUOVZFT-SFHVURJKSA-N 1 1 318.436 3.940 20 30 DHEDMO C=C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC)c1ccccc1 ZINC001136465830 1029857989 /nfs/dbraw/zinc/85/79/89/1029857989.db2.gz WUQZQMNWELRYOL-RBUKOAKNSA-N 1 1 314.473 3.727 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543416 1029908220 /nfs/dbraw/zinc/90/82/20/1029908220.db2.gz BJSCHZFXZBKOBA-OAHLLOKOSA-N 1 1 301.390 3.714 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000304308318 1029938426 /nfs/dbraw/zinc/93/84/26/1029938426.db2.gz KVULUYIYDBKNSJ-HSALFYBXSA-N 1 1 324.399 3.631 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000304308318 1029938439 /nfs/dbraw/zinc/93/84/39/1029938439.db2.gz KVULUYIYDBKNSJ-HSALFYBXSA-N 1 1 324.399 3.631 20 30 DHEDMO C[C@@H]1C[C@@H](Nc2ncc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000413175022 1029939107 /nfs/dbraw/zinc/93/91/07/1029939107.db2.gz JGXXOFIGLWDNHE-PBHICJAKSA-N 1 1 324.403 3.557 20 30 DHEDMO COc1ccc2c(c1)C[N@H+]([C@H](C)c1cccc(C#N)c1)CCO2 ZINC000451650065 1029954235 /nfs/dbraw/zinc/95/42/35/1029954235.db2.gz UFQSXEPNEAUAHL-CQSZACIVSA-N 1 1 308.381 3.522 20 30 DHEDMO COc1ccc2c(c1)C[N@@H+]([C@H](C)c1cccc(C#N)c1)CCO2 ZINC000451650065 1029954250 /nfs/dbraw/zinc/95/42/50/1029954250.db2.gz UFQSXEPNEAUAHL-CQSZACIVSA-N 1 1 308.381 3.522 20 30 DHEDMO COCC[C@H]([NH2+]CC1(C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC000451687985 1029975520 /nfs/dbraw/zinc/97/55/20/1029975520.db2.gz FEBWOKBAJAGXEY-AWEZNQCLSA-N 1 1 312.335 3.676 20 30 DHEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](CO)CC(C)(C)C ZINC000451786919 1030002570 /nfs/dbraw/zinc/00/25/70/1030002570.db2.gz XECQWUYNICIAGE-MRXNPFEDSA-N 1 1 302.462 3.717 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC000451844679 1030034069 /nfs/dbraw/zinc/03/40/69/1030034069.db2.gz SYZNUSJKDSMMHR-SFHVURJKSA-N 1 1 308.381 3.757 20 30 DHEDMO N#Cc1cccc(OCC[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC000451844679 1030034085 /nfs/dbraw/zinc/03/40/85/1030034085.db2.gz SYZNUSJKDSMMHR-SFHVURJKSA-N 1 1 308.381 3.757 20 30 DHEDMO N#CCSCCC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451880222 1030040774 /nfs/dbraw/zinc/04/07/74/1030040774.db2.gz VBHOVUXUYXUMKI-INIZCTEOSA-N 1 1 314.458 3.737 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451962457 1030066751 /nfs/dbraw/zinc/06/67/51/1030066751.db2.gz FWVVFOHUJKRPIJ-INIZCTEOSA-N 1 1 306.862 3.931 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451962457 1030066767 /nfs/dbraw/zinc/06/67/67/1030066767.db2.gz FWVVFOHUJKRPIJ-INIZCTEOSA-N 1 1 306.862 3.931 20 30 DHEDMO CC[C@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000357528268 1030092882 /nfs/dbraw/zinc/09/28/82/1030092882.db2.gz KICWXCFRJNHMBD-WFASDCNBSA-N 1 1 319.836 3.803 20 30 DHEDMO C[C@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C ZINC000245847936 1030156584 /nfs/dbraw/zinc/15/65/84/1030156584.db2.gz CMVRZWZOTZYYGJ-JKSUJKDBSA-N 1 1 323.440 3.716 20 30 DHEDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866236982 1030171873 /nfs/dbraw/zinc/17/18/73/1030171873.db2.gz GPRSKLNWBXZWIF-NWDGAFQWSA-N 1 1 314.360 3.823 20 30 DHEDMO C[C@H]([NH2+][C@H](c1ccccc1)[C@H]1CCCO1)c1cccc(C#N)c1O ZINC000866250142 1030179669 /nfs/dbraw/zinc/17/96/69/1030179669.db2.gz VICYIJWCQLBCPV-GDIGMMSISA-N 1 1 322.408 3.835 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(C#N)c2[O-])c1 ZINC000866259126 1030185597 /nfs/dbraw/zinc/18/55/97/1030185597.db2.gz HYXBLKGPRYAEQR-HNNXBMFYSA-N 1 1 323.440 3.566 20 30 DHEDMO CCOc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)cc1F ZINC000866261470 1030186071 /nfs/dbraw/zinc/18/60/71/1030186071.db2.gz VATBWLJSXWNCRJ-LBPRGKRZSA-N 1 1 314.360 3.652 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CC)C1 ZINC000533224681 1030202721 /nfs/dbraw/zinc/20/27/21/1030202721.db2.gz WPTVHKKFBMGFOI-JKSUJKDBSA-N 1 1 320.502 3.773 20 30 DHEDMO CC(C)(c1noc([C@@H]([NH3+])CCCC#N)n1)c1ccc(Cl)cc1 ZINC000823216108 1030233560 /nfs/dbraw/zinc/23/35/60/1030233560.db2.gz PNTJIVKJENJIRA-ZDUSSCGKSA-N 1 1 318.808 3.743 20 30 DHEDMO Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)CCC2 ZINC000866336818 1030237599 /nfs/dbraw/zinc/23/75/99/1030237599.db2.gz NFELHSQDEWZXFS-HZMBPMFUSA-N 1 1 313.426 3.757 20 30 DHEDMO C=CC[N@@H+](C)Cn1ncc2cc(OCc3ccccc3)ccc21 ZINC000777540372 1030240833 /nfs/dbraw/zinc/24/08/33/1030240833.db2.gz GLJJAZJTQBGBTA-UHFFFAOYSA-N 1 1 307.397 3.691 20 30 DHEDMO C=CC[N@H+](C)Cn1ncc2cc(OCc3ccccc3)ccc21 ZINC000777540372 1030240845 /nfs/dbraw/zinc/24/08/45/1030240845.db2.gz GLJJAZJTQBGBTA-UHFFFAOYSA-N 1 1 307.397 3.691 20 30 DHEDMO CCC(CC)[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C1CC1 ZINC000533268600 1030242882 /nfs/dbraw/zinc/24/28/82/1030242882.db2.gz JRKLUMVCUUCTDS-UHFFFAOYSA-N 1 1 319.474 3.828 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000533300631 1030260329 /nfs/dbraw/zinc/26/03/29/1030260329.db2.gz HYCBDLBVEPUSRF-GJZGRUSLSA-N 1 1 314.429 3.897 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000533299940 1030261216 /nfs/dbraw/zinc/26/12/16/1030261216.db2.gz SNNWXVUAOKIROT-KBPBESRZSA-N 1 1 308.853 3.804 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000533301046 1030261643 /nfs/dbraw/zinc/26/16/43/1030261643.db2.gz CUVNGILSLRPWLA-QGZVFWFLSA-N 1 1 302.462 3.710 20 30 DHEDMO C=CC[N@@H+](Cc1c(Cl)cccc1N1CCOCC1)C(C)C ZINC000823409383 1030282089 /nfs/dbraw/zinc/28/20/89/1030282089.db2.gz ZFIWVMHMSGGLPU-UHFFFAOYSA-N 1 1 308.853 3.573 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)OCc1ccccc1 ZINC000823619187 1030344164 /nfs/dbraw/zinc/34/41/64/1030344164.db2.gz ZFVNCYSTUIKTMN-INIZCTEOSA-N 1 1 322.408 3.685 20 30 DHEDMO C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001136768969 1030382171 /nfs/dbraw/zinc/38/21/71/1030382171.db2.gz VMBHXIHNTMHIQO-QRQLOZEOSA-N 1 1 318.505 3.702 20 30 DHEDMO CC(C)C[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000130278682 1030395330 /nfs/dbraw/zinc/39/53/30/1030395330.db2.gz WFBFCBHMGCOXEK-HNNXBMFYSA-N 1 1 319.836 3.661 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2ccnn2C(C)C)cc1 ZINC000794941027 1030422613 /nfs/dbraw/zinc/42/26/13/1030422613.db2.gz IQEBWIATQSFCLE-CMDGGOBGSA-N 1 1 320.396 3.854 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](CC)c1ccccc1OC ZINC000558180303 1030453654 /nfs/dbraw/zinc/45/36/54/1030453654.db2.gz GXJZLBKXZWUBOZ-KRWDZBQOSA-N 1 1 318.461 3.503 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](CC)c1ccccc1OC ZINC000558180303 1030453657 /nfs/dbraw/zinc/45/36/57/1030453657.db2.gz GXJZLBKXZWUBOZ-KRWDZBQOSA-N 1 1 318.461 3.503 20 30 DHEDMO CCC[NH+](CCC)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000867631995 1030468953 /nfs/dbraw/zinc/46/89/53/1030468953.db2.gz UFEDWOCAUZABDZ-ZDUSSCGKSA-N 1 1 315.442 3.595 20 30 DHEDMO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(C#N)cn3)oc21 ZINC000558246351 1030494479 /nfs/dbraw/zinc/49/44/79/1030494479.db2.gz ONRWOMUIHZZDDS-CYBMUJFWSA-N 1 1 321.380 3.949 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccc3ccccc3c2)C1=O ZINC001275603451 1030529324 /nfs/dbraw/zinc/52/93/24/1030529324.db2.gz VLKVACVVHZPSHB-NRFANRHFSA-N 1 1 320.436 3.593 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1N=Nc1ncccc1F ZINC000794989862 1030536131 /nfs/dbraw/zinc/53/61/31/1030536131.db2.gz FANBJUKGIYLBBX-AWEZNQCLSA-N 1 1 312.392 3.531 20 30 DHEDMO COc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1OC ZINC000358562489 1030536385 /nfs/dbraw/zinc/53/63/85/1030536385.db2.gz GWUPPZMTWAWQIU-GFCCVEGCSA-N 1 1 314.360 3.565 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1N=Nc1ncccc1F ZINC000794989867 1030537437 /nfs/dbraw/zinc/53/74/37/1030537437.db2.gz FANBJUKGIYLBBX-CQSZACIVSA-N 1 1 312.392 3.531 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)o1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000558422460 1030571849 /nfs/dbraw/zinc/57/18/49/1030571849.db2.gz COAOIFHRSOLPCP-MSOLQXFVSA-N 1 1 310.397 3.829 20 30 DHEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000358734586 1030603922 /nfs/dbraw/zinc/60/39/22/1030603922.db2.gz FHHVMXOKHYDTLM-CYBMUJFWSA-N 1 1 314.401 3.733 20 30 DHEDMO CC(C)(C)Oc1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C#N ZINC000824722348 1030622382 /nfs/dbraw/zinc/62/23/82/1030622382.db2.gz QMNJXOWLVSDIQS-IAGOWNOFSA-N 1 1 313.445 3.774 20 30 DHEDMO CCOc1ccc([C@H]2CCC[N@H+]2CCCSCC#N)cc1 ZINC000074980714 1030628456 /nfs/dbraw/zinc/62/84/56/1030628456.db2.gz GAFNWVQSKQPHRU-QGZVFWFLSA-N 1 1 304.459 3.869 20 30 DHEDMO N#CCC[N@H+](Cc1ccc(OCC(F)F)cc1)C1CCCC1 ZINC001136938216 1030630582 /nfs/dbraw/zinc/63/05/82/1030630582.db2.gz NQZVCWNAGHCPOD-UHFFFAOYSA-N 1 1 308.372 3.989 20 30 DHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1c(C)c(C)cc(C)c1C ZINC001171069754 1030654667 /nfs/dbraw/zinc/65/46/67/1030654667.db2.gz OHJUOCOVOFNJBM-KRWDZBQOSA-N 1 1 318.461 3.559 20 30 DHEDMO C#CCOc1ccc(C[NH2+][C@H](C)c2nc(C)sc2C)cc1 ZINC000824926908 1030674426 /nfs/dbraw/zinc/67/44/26/1030674426.db2.gz XFZPKADLCKZUJA-GFCCVEGCSA-N 1 1 300.427 3.623 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2cn3c(n2)CCCC3)cc1 ZINC000926400940 1030723356 /nfs/dbraw/zinc/72/33/56/1030723356.db2.gz LQOKRYXXCOZUMT-OAHLLOKOSA-N 1 1 311.429 3.635 20 30 DHEDMO C=CCSCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000248756039 1030766317 /nfs/dbraw/zinc/76/63/17/1030766317.db2.gz CRJVZNBXBSTZNM-REPLKXPHSA-N 1 1 316.514 3.691 20 30 DHEDMO N#C[C@@H]1CCC[C@H]([NH2+][C@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000248766443 1030766773 /nfs/dbraw/zinc/76/67/73/1030766773.db2.gz GZIKPECDGMQHHX-DKSSEZFCSA-N 1 1 309.388 3.982 20 30 DHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)OC2(C#N)CCC2)cc1 ZINC000805892153 1030780362 /nfs/dbraw/zinc/78/03/62/1030780362.db2.gz AXGRORUMPIFJBX-UHFFFAOYSA-N 1 1 300.402 3.522 20 30 DHEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc2ccccc2o1 ZINC001275640504 1030842168 /nfs/dbraw/zinc/84/21/68/1030842168.db2.gz AWCLFMXJTJQCOB-HXUWFJFHSA-N 1 1 324.424 3.576 20 30 DHEDMO C#CC[N@H+](Cc1cccc(OC)c1O)[C@H]1CCc2ccccc21 ZINC000179203475 1030859192 /nfs/dbraw/zinc/85/91/92/1030859192.db2.gz AGMAINGNQWJNKE-SFHVURJKSA-N 1 1 307.393 3.524 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1c(C)cc(OC)nc1C ZINC000359243745 1030861460 /nfs/dbraw/zinc/86/14/60/1030861460.db2.gz XFBULTNOPAMJRU-UHFFFAOYSA-N 1 1 303.450 3.859 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1c(C)cc(OC)nc1C ZINC000359243745 1030861476 /nfs/dbraw/zinc/86/14/76/1030861476.db2.gz XFBULTNOPAMJRU-UHFFFAOYSA-N 1 1 303.450 3.859 20 30 DHEDMO N#Cc1cccc(Cl)c1C[NH+]1CCC(c2ccncc2)CC1 ZINC001143722903 1030930119 /nfs/dbraw/zinc/93/01/19/1030930119.db2.gz LCHPYUGZIQPWRG-UHFFFAOYSA-N 1 1 311.816 3.986 20 30 DHEDMO C=CCC1(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCC1 ZINC000253278160 1030964835 /nfs/dbraw/zinc/96/48/35/1030964835.db2.gz NRPFQBOTFJFAKS-ZWKOTPCHSA-N 1 1 318.505 3.846 20 30 DHEDMO Cc1ccc(C#N)c(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000359512283 1031001167 /nfs/dbraw/zinc/00/11/67/1031001167.db2.gz ZJGJWXCLQLYNIX-MAUKXSAKSA-N 1 1 306.413 3.509 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000359512753 1031001847 /nfs/dbraw/zinc/00/18/47/1031001847.db2.gz CJOJYQKXLRRFBL-DLBZAZTESA-N 1 1 316.493 3.929 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611578384 1031109190 /nfs/dbraw/zinc/10/91/90/1031109190.db2.gz BXNJGRHOFNQSLB-CQSZACIVSA-N 1 1 308.372 3.691 20 30 DHEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@]1(C)Cc1cccc(Cl)c1 ZINC000844381682 1031111549 /nfs/dbraw/zinc/11/15/49/1031111549.db2.gz QTAKDAFCFVCQCD-PBHICJAKSA-N 1 1 306.837 3.666 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCc2ccc(F)cc21 ZINC000844467167 1031160425 /nfs/dbraw/zinc/16/04/25/1031160425.db2.gz BVSMEKPOQALGRU-OAHLLOKOSA-N 1 1 324.399 3.890 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2cncc(C#N)c2)CCc2ccc(Cl)cc21 ZINC001144083732 1031235325 /nfs/dbraw/zinc/23/53/25/1031235325.db2.gz RGNNJCNQBQTTOD-ZDUSSCGKSA-N 1 1 311.816 3.768 20 30 DHEDMO C#CC[N@@H+](Cc1[nH]nc2ccc(F)cc21)[C@@H]1CCc2ccccc21 ZINC001144199281 1031317112 /nfs/dbraw/zinc/31/71/12/1031317112.db2.gz BIHJKRYMXOMWEM-HXUWFJFHSA-N 1 1 319.383 3.825 20 30 DHEDMO C#CC[N@H+](Cc1[nH]nc2ccc(F)cc21)[C@@H]1CCc2ccccc21 ZINC001144199281 1031317125 /nfs/dbraw/zinc/31/71/25/1031317125.db2.gz BIHJKRYMXOMWEM-HXUWFJFHSA-N 1 1 319.383 3.825 20 30 DHEDMO COc1ccc(C[N@@H+](C)CCCCC2(C#N)CCC2)c(OC)c1 ZINC000929214062 1031469231 /nfs/dbraw/zinc/46/92/31/1031469231.db2.gz WTVTYKUQUWBLPW-UHFFFAOYSA-N 1 1 316.445 4.000 20 30 DHEDMO C=CCn1cc(C[NH2+][C@H]2CC(C)(C)Sc3ccccc32)nn1 ZINC000872079005 1031473959 /nfs/dbraw/zinc/47/39/59/1031473959.db2.gz GHCYJONCEDDQSC-HNNXBMFYSA-N 1 1 314.458 3.569 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000929253811 1031477964 /nfs/dbraw/zinc/47/79/64/1031477964.db2.gz LEQXUKDZSDTAJN-JMLCCBQJSA-N 1 1 302.393 3.529 20 30 DHEDMO C[C@H]1CCCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000360630699 1031496810 /nfs/dbraw/zinc/49/68/10/1031496810.db2.gz WCJWPJBINJQLCP-ZDUSSCGKSA-N 1 1 319.836 3.662 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000537187423 1031531513 /nfs/dbraw/zinc/53/15/13/1031531513.db2.gz GNQFREOSTPZWQQ-DLBZAZTESA-N 1 1 309.498 3.543 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cccc(SCC)c2)no1 ZINC000872182173 1031552335 /nfs/dbraw/zinc/55/23/35/1031552335.db2.gz HFFCMXLKDCWXER-LBPRGKRZSA-N 1 1 309.822 3.991 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)cc1F ZINC000872258952 1031560810 /nfs/dbraw/zinc/56/08/10/1031560810.db2.gz HIMNKDPLRFTVAV-KRWDZBQOSA-N 1 1 302.393 3.621 20 30 DHEDMO COc1ccc(C[N@H+](CCC#N)C2CCCCCCC2)nc1 ZINC001144423160 1031560959 /nfs/dbraw/zinc/56/09/59/1031560959.db2.gz DAOPCXSUGIIYPI-UHFFFAOYSA-N 1 1 301.434 3.919 20 30 DHEDMO COc1ccc(C[N@@H+](CCC#N)C2CCCCCCC2)nc1 ZINC001144423160 1031560964 /nfs/dbraw/zinc/56/09/64/1031560964.db2.gz DAOPCXSUGIIYPI-UHFFFAOYSA-N 1 1 301.434 3.919 20 30 DHEDMO CCC[N@@H+](CC1CCC(C#N)CC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000929695796 1031580381 /nfs/dbraw/zinc/58/03/81/1031580381.db2.gz HTXXVGFIXUMKDS-YOHUBWIESA-N 1 1 304.478 3.842 20 30 DHEDMO C[C@@H](N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000537408211 1031595545 /nfs/dbraw/zinc/59/55/45/1031595545.db2.gz VWHVWUROECZSMB-XUWVNRHRSA-N 1 1 317.452 3.714 20 30 DHEDMO C[C@@H]([NH2+][C@@H](C)CN1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000537408211 1031595550 /nfs/dbraw/zinc/59/55/50/1031595550.db2.gz VWHVWUROECZSMB-XUWVNRHRSA-N 1 1 317.452 3.714 20 30 DHEDMO Cc1cc(C)nc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000929757355 1031600654 /nfs/dbraw/zinc/60/06/54/1031600654.db2.gz PXQWIZYPDFDORY-WOJBJXKFSA-N 1 1 305.425 3.970 20 30 DHEDMO Cc1cc(C)nc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000929757355 1031600659 /nfs/dbraw/zinc/60/06/59/1031600659.db2.gz PXQWIZYPDFDORY-WOJBJXKFSA-N 1 1 305.425 3.970 20 30 DHEDMO CCOCc1cncc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c1 ZINC001171186981 1031605649 /nfs/dbraw/zinc/60/56/49/1031605649.db2.gz XRHRLPCHAOVJHI-UHFFFAOYSA-N 1 1 321.380 3.514 20 30 DHEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@H](c2ccsc2)O1 ZINC000929830719 1031616342 /nfs/dbraw/zinc/61/63/42/1031616342.db2.gz ARJYCMAGBXXPCN-ARAOSMHQSA-N 1 1 304.459 3.840 20 30 DHEDMO CCCc1nc(C)c(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000293865642 1031663371 /nfs/dbraw/zinc/66/33/71/1031663371.db2.gz YAKGROYVQVNMCH-LLVKDONJSA-N 1 1 301.365 3.797 20 30 DHEDMO N#Cc1ccc(C2CC[NH+](Cc3n[nH]c4ccccc43)CC2)cc1 ZINC000897589311 1031664227 /nfs/dbraw/zinc/66/42/27/1031664227.db2.gz JLENPIBGDDUZQL-UHFFFAOYSA-N 1 1 316.408 3.814 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCOC1 ZINC000361054985 1031698660 /nfs/dbraw/zinc/69/86/60/1031698660.db2.gz VCUYZPLZBFJAQE-AWEZNQCLSA-N 1 1 312.335 3.576 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3CF)CCO2)c1 ZINC000930135149 1031709610 /nfs/dbraw/zinc/70/96/10/1031709610.db2.gz LLIDEWKQINNNPZ-IBGZPJMESA-N 1 1 310.372 3.601 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3CF)CCO2)c1 ZINC000930135149 1031709623 /nfs/dbraw/zinc/70/96/23/1031709623.db2.gz LLIDEWKQINNNPZ-IBGZPJMESA-N 1 1 310.372 3.601 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(C(=O)OC)c2)cc1 ZINC001144581264 1031717636 /nfs/dbraw/zinc/71/76/36/1031717636.db2.gz NZRVGZXMRZUBQV-FQEVSTJZSA-N 1 1 319.404 3.792 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3C[C@@H]4[C@H](C3)C4(F)F)CC2)cc1 ZINC000930157095 1031717440 /nfs/dbraw/zinc/71/74/40/1031717440.db2.gz BGOUUOGOZKCUAV-GBEXYDAJSA-N 1 1 314.379 3.939 20 30 DHEDMO C#CC[N@@H+](Cc1cc2cnccc2o1)[C@@H]1CCc2ccccc21 ZINC000845902562 1031769414 /nfs/dbraw/zinc/76/94/14/1031769414.db2.gz GZSWGLNSVCIRNC-LJQANCHMSA-N 1 1 302.377 3.951 20 30 DHEDMO C#CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1F)c1ccccc1 ZINC000845946149 1031786643 /nfs/dbraw/zinc/78/66/43/1031786643.db2.gz PPUXQNMBLVKJDW-QGZVFWFLSA-N 1 1 313.372 3.697 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001171203964 1031789455 /nfs/dbraw/zinc/78/94/55/1031789455.db2.gz QXEYAZYYDMVUKK-KCPJHIHWSA-N 1 1 314.326 3.569 20 30 DHEDMO C[C@H]1C[C@@H](CCNc2cc(C#N)ccn2)C[N@H+]1Cc1ccccc1 ZINC000561282489 1031800108 /nfs/dbraw/zinc/80/01/08/1031800108.db2.gz TYRQKFAZAKYZRY-QFBILLFUSA-N 1 1 320.440 3.666 20 30 DHEDMO CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@H]1CCOC(C)(C)C1 ZINC000930511563 1031851761 /nfs/dbraw/zinc/85/17/61/1031851761.db2.gz FMYINEKPFFGTDY-INIZCTEOSA-N 1 1 306.837 3.991 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[NH2+][C@H](C)c1cncs1 ZINC000897932568 1031874456 /nfs/dbraw/zinc/87/44/56/1031874456.db2.gz NGSRFSNJUQZXAA-LLVKDONJSA-N 1 1 306.818 3.659 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000930588866 1031878392 /nfs/dbraw/zinc/87/83/92/1031878392.db2.gz OQQRFEGMXHILOT-IBGZPJMESA-N 1 1 322.456 3.534 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](CC)CC1CCC1 ZINC000361480476 1031945179 /nfs/dbraw/zinc/94/51/79/1031945179.db2.gz DBAFHRNTKKKOSO-HNNXBMFYSA-N 1 1 320.502 3.773 20 30 DHEDMO C=CCC[C@@H](C)[NH2+][C@H](c1nccn1C)c1ccc(F)cc1F ZINC000898104329 1031963648 /nfs/dbraw/zinc/96/36/48/1031963648.db2.gz DXFPXNNLCLEGPG-WBMJQRKESA-N 1 1 305.372 3.732 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)Cc2cccc(C#N)c2)c(OC)c1 ZINC001171223929 1031977453 /nfs/dbraw/zinc/97/74/53/1031977453.db2.gz OGTWAWPQZYFGRW-HNNXBMFYSA-N 1 1 324.424 3.638 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361562111 1031987371 /nfs/dbraw/zinc/98/73/71/1031987371.db2.gz KEBNYCJDRACFHS-CQSZACIVSA-N 1 1 304.393 3.872 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001171231208 1031998872 /nfs/dbraw/zinc/99/88/72/1031998872.db2.gz IAVQGABPKBNXRO-UZLBHIALSA-N 1 1 318.420 3.694 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)CCN(C)Cc1ccccc1 ZINC001171233182 1032006358 /nfs/dbraw/zinc/00/63/58/1032006358.db2.gz ZUTOVIYKTTXFJZ-SFHVURJKSA-N 1 1 321.468 3.553 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)N(C)CC[N@H+](C)Cc1ccccc1 ZINC001171233182 1032006375 /nfs/dbraw/zinc/00/63/75/1032006375.db2.gz ZUTOVIYKTTXFJZ-SFHVURJKSA-N 1 1 321.468 3.553 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)N(C)CC[N@@H+](C)Cc1ccccc1 ZINC001171233182 1032006387 /nfs/dbraw/zinc/00/63/87/1032006387.db2.gz ZUTOVIYKTTXFJZ-SFHVURJKSA-N 1 1 321.468 3.553 20 30 DHEDMO CCCC[C@@H]1C[C@H]([N@@H+](C)CCC#N)CCN1C(=O)OC(C)(C)C ZINC001172631904 1033300093 /nfs/dbraw/zinc/30/00/93/1033300093.db2.gz GZVVYASRBZVWRM-HZPDHXFCSA-N 1 1 323.481 3.790 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+](CC[C@H]1CC1(Cl)Cl)C2 ZINC000860109210 1033300925 /nfs/dbraw/zinc/30/09/25/1033300925.db2.gz PKISRYBDVLICMP-AWEZNQCLSA-N 1 1 309.240 3.695 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137123057 1033320577 /nfs/dbraw/zinc/32/05/77/1033320577.db2.gz BJNOSBCINQDKNX-JTQLQIEISA-N 1 1 301.615 3.884 20 30 DHEDMO COc1cccc(CCC[N@@H+](C)Cc2ccc(OCC#N)cc2)c1 ZINC001137121284 1033327783 /nfs/dbraw/zinc/32/77/83/1033327783.db2.gz AXEIORJVNRMBGT-UHFFFAOYSA-N 1 1 324.424 3.662 20 30 DHEDMO C[C@H](C#N)C[N@H+](CCC(=O)Nc1cccc2ccccc21)C1CC1 ZINC000338349214 1033329260 /nfs/dbraw/zinc/32/92/60/1033329260.db2.gz FKPIEZCFLKGQRH-OAHLLOKOSA-N 1 1 321.424 3.792 20 30 DHEDMO C[C@H](C#N)C[N@@H+](CCC(=O)Nc1cccc2ccccc21)C1CC1 ZINC000338349214 1033329275 /nfs/dbraw/zinc/32/92/75/1033329275.db2.gz FKPIEZCFLKGQRH-OAHLLOKOSA-N 1 1 321.424 3.792 20 30 DHEDMO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877586221 1033369774 /nfs/dbraw/zinc/36/97/74/1033369774.db2.gz WWCKOFZCSVLGDO-LBPRGKRZSA-N 1 1 317.795 3.809 20 30 DHEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877586221 1033369782 /nfs/dbraw/zinc/36/97/82/1033369782.db2.gz WWCKOFZCSVLGDO-LBPRGKRZSA-N 1 1 317.795 3.809 20 30 DHEDMO CC(C)(CC#N)C[NH2+]Cc1nc(Cl)ccc1Br ZINC000877584791 1033369867 /nfs/dbraw/zinc/36/98/67/1033369867.db2.gz YYVOLCCNPXNSOG-UHFFFAOYSA-N 1 1 316.630 3.527 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CCCP(=O)(OCC)OCC)C1 ZINC000877624073 1033389765 /nfs/dbraw/zinc/38/97/65/1033389765.db2.gz IQEMVVIFXXPSNV-HNNXBMFYSA-N 1 1 303.383 3.931 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172800673 1033403928 /nfs/dbraw/zinc/40/39/28/1033403928.db2.gz ZSDOZVNZTPLICX-ZWKOTPCHSA-N 1 1 301.430 3.797 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000877705283 1033417306 /nfs/dbraw/zinc/41/73/06/1033417306.db2.gz YTCWXCAPOAFIBT-FQEVSTJZSA-N 1 1 319.452 3.559 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)cc1 ZINC000877737580 1033429103 /nfs/dbraw/zinc/42/91/03/1033429103.db2.gz JKLHCCFZYPEERR-JKSUJKDBSA-N 1 1 300.471 3.673 20 30 DHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)[nH]n1 ZINC000877785507 1033450066 /nfs/dbraw/zinc/45/00/66/1033450066.db2.gz ZVWJPMBGMIDINM-ZDUSSCGKSA-N 1 1 314.458 3.846 20 30 DHEDMO CC(C)c1cc([C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)n[nH]1 ZINC000877785507 1033450073 /nfs/dbraw/zinc/45/00/73/1033450073.db2.gz ZVWJPMBGMIDINM-ZDUSSCGKSA-N 1 1 314.458 3.846 20 30 DHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)n[nH]1 ZINC000877785507 1033450077 /nfs/dbraw/zinc/45/00/77/1033450077.db2.gz ZVWJPMBGMIDINM-ZDUSSCGKSA-N 1 1 314.458 3.846 20 30 DHEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000552828091 1033521060 /nfs/dbraw/zinc/52/10/60/1033521060.db2.gz IKKAIISBQALVCE-UGSOOPFHSA-N 1 1 310.372 3.521 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)C1CC1 ZINC000552836827 1033521174 /nfs/dbraw/zinc/52/11/74/1033521174.db2.gz WKQBVZZNYOONPJ-CYBMUJFWSA-N 1 1 304.459 3.634 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1cccs1)c1ccccc1 ZINC000877932761 1033521402 /nfs/dbraw/zinc/52/14/02/1033521402.db2.gz ZEEYJZBNWCSFJF-GOSISDBHSA-N 1 1 312.438 3.621 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1cccs1)c1ccccc1 ZINC000877932761 1033521408 /nfs/dbraw/zinc/52/14/08/1033521408.db2.gz ZEEYJZBNWCSFJF-GOSISDBHSA-N 1 1 312.438 3.621 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000877966956 1033534172 /nfs/dbraw/zinc/53/41/72/1033534172.db2.gz ZXSXDOWTTCONLM-NSISKUIASA-N 1 1 312.457 3.938 20 30 DHEDMO C#CCCCCC[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000877980513 1033542566 /nfs/dbraw/zinc/54/25/66/1033542566.db2.gz JKIPYSKIKBRBKR-GOSISDBHSA-N 1 1 309.413 3.671 20 30 DHEDMO C#CCCCCC[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000877980513 1033542573 /nfs/dbraw/zinc/54/25/73/1033542573.db2.gz JKIPYSKIKBRBKR-GOSISDBHSA-N 1 1 309.413 3.671 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1C[C@@H](C)CCC[C@H]1C)c1ccccc1 ZINC000878128301 1033588482 /nfs/dbraw/zinc/58/84/82/1033588482.db2.gz BAXJSQCGPRQJKT-SQGPQFPESA-N 1 1 312.457 3.938 20 30 DHEDMO CC[N@@H+](Cc1cc(Br)ccc1O)CC1(CC#N)CC1 ZINC000878151834 1033596802 /nfs/dbraw/zinc/59/68/02/1033596802.db2.gz FHPPEFSQUCSKDU-UHFFFAOYSA-N 1 1 323.234 3.670 20 30 DHEDMO CC[C@]1(C)CCC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878147639 1033598712 /nfs/dbraw/zinc/59/87/12/1033598712.db2.gz HNBRAABEXOUIGW-WOJBJXKFSA-N 1 1 312.457 3.939 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3CC4(CCC4)CO3)CC2)cc1 ZINC000878334235 1033661814 /nfs/dbraw/zinc/66/18/14/1033661814.db2.gz RYKAKVNUFQFPPR-IBGZPJMESA-N 1 1 308.425 3.607 20 30 DHEDMO CCCCCCCC[C@@H](CCC)[NH2+]CCN1CCN(C)CC1 ZINC001173308979 1033663413 /nfs/dbraw/zinc/66/34/13/1033663413.db2.gz OWGWEGLIPJNRPD-LJQANCHMSA-N 1 1 311.558 3.743 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@H](CC)C1)[C@H]2CC ZINC001173284355 1033676802 /nfs/dbraw/zinc/67/68/02/1033676802.db2.gz ZEKUXQKGOQYUEI-DMUMMCEESA-N 1 1 318.505 3.987 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCc3c(cccc3OC)C2)CC1 ZINC001173322844 1033686652 /nfs/dbraw/zinc/68/66/52/1033686652.db2.gz MZFQZZHBVGGINN-UHFFFAOYSA-N 1 1 301.430 3.567 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1C[C@H](C)CC(C)(C)C1)c1ccccc1 ZINC000878403630 1033692386 /nfs/dbraw/zinc/69/23/86/1033692386.db2.gz DERXJIUFHIDBHJ-UZLBHIALSA-N 1 1 312.457 3.795 20 30 DHEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173339943 1033693720 /nfs/dbraw/zinc/69/37/20/1033693720.db2.gz VVTXNYHFAPNYRL-PCKAHOCUSA-N 1 1 306.450 3.513 20 30 DHEDMO N#CCC1CCC([N@H+]2CCCN(c3ccc(F)cc3)CC2)CC1 ZINC001173339115 1033694578 /nfs/dbraw/zinc/69/45/78/1033694578.db2.gz DFBMQQDSBUWBQQ-UHFFFAOYSA-N 1 1 315.436 3.810 20 30 DHEDMO N#CCC1CCC([N@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC001173339501 1033695068 /nfs/dbraw/zinc/69/50/68/1033695068.db2.gz QIMLJCWEDGWKII-OPWVIFHQSA-N 1 1 323.484 3.665 20 30 DHEDMO COc1ccccc1O[C@@H]1CC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173339715 1033695300 /nfs/dbraw/zinc/69/53/00/1033695300.db2.gz QUHIBXRJBGBULI-OFLPRAFFSA-N 1 1 314.429 3.621 20 30 DHEDMO N#CCC1CCC([N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC001173341157 1033696174 /nfs/dbraw/zinc/69/61/74/1033696174.db2.gz QJMVQGVKTZTZIB-JFUPDXTOSA-N 1 1 302.393 3.751 20 30 DHEDMO CC[N@H+](Cc1cccc(Cl)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000127104812 1033696678 /nfs/dbraw/zinc/69/66/78/1033696678.db2.gz FAOKVWAMTMVYFI-SFHVURJKSA-N 1 1 314.816 3.767 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C)c1ccccc1 ZINC000878496882 1033724862 /nfs/dbraw/zinc/72/48/62/1033724862.db2.gz LOMFMQXHUAOGDA-NHAYFPRASA-N 1 1 312.457 3.793 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1C[C@H](C)C[C@@H](C)[C@H]1C)c1ccccc1 ZINC000878496884 1033726242 /nfs/dbraw/zinc/72/62/42/1033726242.db2.gz LOMFMQXHUAOGDA-WOCWXWTJSA-N 1 1 312.457 3.793 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000878542208 1033745699 /nfs/dbraw/zinc/74/56/99/1033745699.db2.gz LTVNKGNCMYGKIT-QUCCMNQESA-N 1 1 312.457 3.938 20 30 DHEDMO CC(C)Oc1ccccc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001137134036 1033759452 /nfs/dbraw/zinc/75/94/52/1033759452.db2.gz FSWWLRBMBHUTFU-UHFFFAOYSA-N 1 1 306.409 3.904 20 30 DHEDMO CC(C)Oc1ccccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001137134036 1033759466 /nfs/dbraw/zinc/75/94/66/1033759466.db2.gz FSWWLRBMBHUTFU-UHFFFAOYSA-N 1 1 306.409 3.904 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H](C2CC2)C1)c1ccccc1 ZINC000878621538 1033772305 /nfs/dbraw/zinc/77/23/05/1033772305.db2.gz CUGDCAAJHKNUSM-ICSRJNTNSA-N 1 1 310.441 3.549 20 30 DHEDMO CC1(C#N)CCC([NH+]2CCC(N)(c3ccc(F)cc3)CC2)CC1 ZINC001173591949 1033781405 /nfs/dbraw/zinc/78/14/05/1033781405.db2.gz ZVIZTHWTDIVHBB-UHFFFAOYSA-N 1 1 315.436 3.548 20 30 DHEDMO CC1(C#N)CCC(N2CCC([NH3+])(c3ccc(F)cc3)CC2)CC1 ZINC001173591949 1033781415 /nfs/dbraw/zinc/78/14/15/1033781415.db2.gz ZVIZTHWTDIVHBB-UHFFFAOYSA-N 1 1 315.436 3.548 20 30 DHEDMO CC1(C#N)CCC([N@@H+](Cc2cccnc2)C2CCOCC2)CC1 ZINC001173599817 1033783100 /nfs/dbraw/zinc/78/31/00/1033783100.db2.gz RIHFDGSNLRYNNB-UHFFFAOYSA-N 1 1 313.445 3.535 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@H](C2CCC2)C1)c1ccccc1 ZINC000878716701 1033806025 /nfs/dbraw/zinc/80/60/25/1033806025.db2.gz NROBSHNIRRICPC-QUCCMNQESA-N 1 1 310.441 3.549 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)C1CCN(CC(F)(F)F)CC1 ZINC001173673077 1033813565 /nfs/dbraw/zinc/81/35/65/1033813565.db2.gz HOHFNDJFYXNGCN-UHFFFAOYSA-N 1 1 312.379 3.701 20 30 DHEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000862445036 1033859724 /nfs/dbraw/zinc/85/97/24/1033859724.db2.gz KATDUHPOHIFPLE-JTQLQIEISA-N 1 1 302.727 3.599 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000862445036 1033859734 /nfs/dbraw/zinc/85/97/34/1033859734.db2.gz KATDUHPOHIFPLE-JTQLQIEISA-N 1 1 302.727 3.599 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000829773317 1033871041 /nfs/dbraw/zinc/87/10/41/1033871041.db2.gz CWALLZZCMYVUHA-QWHCGFSZSA-N 1 1 301.415 3.594 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3ccc(C#N)o3)cc2)C1 ZINC000174269887 1033916996 /nfs/dbraw/zinc/91/69/96/1033916996.db2.gz WVJRBNRUNPLHRJ-INIZCTEOSA-N 1 1 323.440 3.673 20 30 DHEDMO CC(=O)Nc1cccc2c1C[N@@H+](CCCCC(C)(C)C#N)CC2 ZINC000879237849 1033958603 /nfs/dbraw/zinc/95/86/03/1033958603.db2.gz PYVHDFFYZKMIHT-UHFFFAOYSA-N 1 1 313.445 3.723 20 30 DHEDMO C[C@H](C#N)OCC[N@@H+](C)Cc1ccccc1OCc1ccccc1 ZINC000879241738 1033961980 /nfs/dbraw/zinc/96/19/80/1033961980.db2.gz MYCMPTVKDMPXQL-QGZVFWFLSA-N 1 1 324.424 3.626 20 30 DHEDMO C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)[C@@H]1CCC[C@H]1C#N ZINC000879308348 1033980155 /nfs/dbraw/zinc/98/01/55/1033980155.db2.gz AJBMGLFJDWBBSQ-JKSUJKDBSA-N 1 1 323.481 3.696 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1 ZINC000175339534 1034008012 /nfs/dbraw/zinc/00/80/12/1034008012.db2.gz ZNDRNIRDWXGHCX-CQSZACIVSA-N 1 1 322.412 3.513 20 30 DHEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879528947 1034038257 /nfs/dbraw/zinc/03/82/57/1034038257.db2.gz ODMQRDPHVGUEIP-OKILXGFUSA-N 1 1 302.805 3.640 20 30 DHEDMO C=CCc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c(O)c(OC)c1 ZINC000863295146 1034058989 /nfs/dbraw/zinc/05/89/89/1034058989.db2.gz NMSOVZQFABXBEZ-CVEARBPZSA-N 1 1 319.470 3.599 20 30 DHEDMO C=CC(C)(C)CC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000879854789 1034142679 /nfs/dbraw/zinc/14/26/79/1034142679.db2.gz DHVRAYIVHIKUBD-FQEVSTJZSA-N 1 1 314.473 3.617 20 30 DHEDMO CSCCON=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000794575061 1034232266 /nfs/dbraw/zinc/23/22/66/1034232266.db2.gz VUCKOLZDYKTFGH-SJORKVTESA-N 1 1 318.486 3.654 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CF)C2)c(C(F)(F)F)c1 ZINC000880238919 1034258472 /nfs/dbraw/zinc/25/84/72/1034258472.db2.gz YZYXWSMZTFJUBY-GFCCVEGCSA-N 1 1 300.299 3.759 20 30 DHEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](CF)C2)c1 ZINC000880236866 1034258889 /nfs/dbraw/zinc/25/88/89/1034258889.db2.gz KXHRFPKKXDMPFV-LBPRGKRZSA-N 1 1 311.198 3.502 20 30 DHEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](CF)C2)c1 ZINC000880236866 1034258901 /nfs/dbraw/zinc/25/89/01/1034258901.db2.gz KXHRFPKKXDMPFV-LBPRGKRZSA-N 1 1 311.198 3.502 20 30 DHEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1nc(C)cc(C)c1C#N ZINC000480512455 1034286126 /nfs/dbraw/zinc/28/61/26/1034286126.db2.gz NWASWRBTRUFVNT-MRXNPFEDSA-N 1 1 300.450 3.637 20 30 DHEDMO CO[C@@]1(C(F)(F)F)CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000880307059 1034289995 /nfs/dbraw/zinc/28/99/95/1034289995.db2.gz GSZBHHZVHQNKHW-AWEZNQCLSA-N 1 1 304.356 3.504 20 30 DHEDMO CC[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1nccs1 ZINC000119863172 1034292169 /nfs/dbraw/zinc/29/21/69/1034292169.db2.gz ZDEDQCRBSQPCDK-WFASDCNBSA-N 1 1 301.415 3.675 20 30 DHEDMO C#CCCOc1ccc(C[NH2+][C@H](CC)c2nccs2)cc1 ZINC000119864585 1034293898 /nfs/dbraw/zinc/29/38/98/1034293898.db2.gz RJUJNUZGBVZZGQ-MRXNPFEDSA-N 1 1 300.427 3.786 20 30 DHEDMO C=CCCC[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccccc1 ZINC000880389182 1034321516 /nfs/dbraw/zinc/32/15/16/1034321516.db2.gz DSEBUAPTDFDODP-KRWDZBQOSA-N 1 1 310.445 3.802 20 30 DHEDMO C=CCC(CC=C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181556034 1034349058 /nfs/dbraw/zinc/34/90/58/1034349058.db2.gz LBALNHYVJVAIFB-RDJZCZTQSA-N 1 1 304.478 3.524 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)cc1 ZINC000880578633 1034368180 /nfs/dbraw/zinc/36/81/80/1034368180.db2.gz RKRFIFSYGMRIGY-HXUWFJFHSA-N 1 1 312.457 3.781 20 30 DHEDMO C[C@@]1(C/N=C/c2cccc(O)c2O)CCC[N@H+]1Cc1ccccc1 ZINC000777400866 1034427248 /nfs/dbraw/zinc/42/72/48/1034427248.db2.gz DXMDPXZREQHTAS-DZSVRRGNSA-N 1 1 324.424 3.571 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+](C)CCc1ccc(C(F)(F)F)cc1 ZINC001252605464 1034435641 /nfs/dbraw/zinc/43/56/41/1034435641.db2.gz OEFYYVUYLVCJIK-OAHLLOKOSA-N 1 1 301.352 3.507 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)C(C)(C)C ZINC001174642602 1034523980 /nfs/dbraw/zinc/52/39/80/1034523980.db2.gz WIGPREIWZHKXEL-UHFFFAOYSA-N 1 1 314.351 3.930 20 30 DHEDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000481183197 1034633974 /nfs/dbraw/zinc/63/39/74/1034633974.db2.gz QUIOZJZJVWUOGW-AWEZNQCLSA-N 1 1 306.837 3.850 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186613863 1034649611 /nfs/dbraw/zinc/64/96/11/1034649611.db2.gz PZKXJXDUZSDLLD-UHFFFAOYSA-N 1 1 322.408 3.835 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(OC)cc2Br)C1 ZINC001174891572 1034664992 /nfs/dbraw/zinc/66/49/92/1034664992.db2.gz TYUQHYWYQAPPSI-GFCCVEGCSA-N 1 1 310.235 3.856 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000481260907 1034694463 /nfs/dbraw/zinc/69/44/63/1034694463.db2.gz SYXMOFRGYSMLTN-NSHDSACASA-N 1 1 315.244 3.679 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cc(F)c(F)c(F)c3)sc2C1 ZINC001174954579 1034707092 /nfs/dbraw/zinc/70/70/92/1034707092.db2.gz IKGLDIGNTVNSMK-UHFFFAOYSA-N 1 1 323.343 3.769 20 30 DHEDMO Clc1ccc(C[NH+]2CCC(C#Cc3ccccc3)CC2)cn1 ZINC001137169666 1034708665 /nfs/dbraw/zinc/70/86/65/1034708665.db2.gz MKURDSFHRHYUKC-UHFFFAOYSA-N 1 1 310.828 3.999 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000481292250 1034730211 /nfs/dbraw/zinc/73/02/11/1034730211.db2.gz ZDEWIANTIHAEKZ-LJQANCHMSA-N 1 1 324.424 3.883 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000481292250 1034730221 /nfs/dbraw/zinc/73/02/21/1034730221.db2.gz ZDEWIANTIHAEKZ-LJQANCHMSA-N 1 1 324.424 3.883 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1=NOCCC(F)(F)F ZINC000777463061 1034755182 /nfs/dbraw/zinc/75/51/82/1034755182.db2.gz YAEOFWBRSJFYAJ-ZDUSSCGKSA-N 1 1 314.351 3.853 20 30 DHEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCCC(C)(C)C)c1ccc(F)c(F)c1 ZINC000481594381 1034894799 /nfs/dbraw/zinc/89/47/99/1034894799.db2.gz NNTLHSAFDCRFON-QGZVFWFLSA-N 1 1 324.415 3.724 20 30 DHEDMO N#Cc1cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)ccc1F ZINC001175506321 1035015431 /nfs/dbraw/zinc/01/54/31/1035015431.db2.gz UXUIGNRWIQDOFJ-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO CNc1ccc(C#N)cc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175506460 1035017902 /nfs/dbraw/zinc/01/79/02/1035017902.db2.gz AVSRTFZJYJVLSW-UHFFFAOYSA-N 1 1 318.424 3.802 20 30 DHEDMO Cc1cncc([C@@H]2CCC[N@H+]2CCCOc2cccc(C#N)c2)c1 ZINC001175550862 1035040023 /nfs/dbraw/zinc/04/00/23/1035040023.db2.gz DPKSVFWXYPUHHR-FQEVSTJZSA-N 1 1 321.424 3.868 20 30 DHEDMO C[C@H](C#N)c1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001175859512 1035146291 /nfs/dbraw/zinc/14/62/91/1035146291.db2.gz LEMLACVBUOCUPW-MRXNPFEDSA-N 1 1 321.424 3.889 20 30 DHEDMO CC(C)CC[C@H](O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000482743958 1035174713 /nfs/dbraw/zinc/17/47/13/1035174713.db2.gz DXFZDSIBCBCCLU-OTWHNJEPSA-N 1 1 300.446 3.555 20 30 DHEDMO C=C(C)CC[N@@H+]1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21 ZINC001176000158 1035181676 /nfs/dbraw/zinc/18/16/76/1035181676.db2.gz SMZGICWPDZCTGM-FHWLQOOXSA-N 1 1 313.441 3.939 20 30 DHEDMO COc1ccccc1C[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000160421396 1035185872 /nfs/dbraw/zinc/18/58/72/1035185872.db2.gz IEVCOKDZWXRRPK-UHFFFAOYSA-N 1 1 323.440 3.677 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCc3nc[nH]c3C23CCCCC3)CC1 ZINC001176113990 1035207030 /nfs/dbraw/zinc/20/70/30/1035207030.db2.gz NFHGXOGCKZWRDG-UHFFFAOYSA-N 1 1 312.461 3.757 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCc3nc[nH]c3C23CCCCC3)CC1 ZINC001176113990 1035207032 /nfs/dbraw/zinc/20/70/32/1035207032.db2.gz NFHGXOGCKZWRDG-UHFFFAOYSA-N 1 1 312.461 3.757 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccc(F)c(C#N)c2)C2CC2)cc1 ZINC000160575742 1035209355 /nfs/dbraw/zinc/20/93/55/1035209355.db2.gz JUVXSSDQDBSIDR-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO C#CC[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C(C)(C)C ZINC001176281758 1035233245 /nfs/dbraw/zinc/23/32/45/1035233245.db2.gz PKNOJIVJZXOVFS-UHFFFAOYSA-N 1 1 301.430 3.876 20 30 DHEDMO N#CC1(CC[N@H+]2CCC[C@H](C3CCOCC3)C2)CCCCC1 ZINC001176412643 1035268033 /nfs/dbraw/zinc/26/80/33/1035268033.db2.gz QJCZAZHVERSTBE-SFHVURJKSA-N 1 1 304.478 3.989 20 30 DHEDMO CC[N@H+](CC#Cc1ccccc1)Cc1ccc(OC)cc1OC ZINC000483585683 1035282476 /nfs/dbraw/zinc/28/24/76/1035282476.db2.gz VMIHCMJINQEZLC-UHFFFAOYSA-N 1 1 309.409 3.577 20 30 DHEDMO CC[N@@H+](CC#Cc1ccccc1)Cc1ccc(OC)cc1OC ZINC000483585683 1035282480 /nfs/dbraw/zinc/28/24/80/1035282480.db2.gz VMIHCMJINQEZLC-UHFFFAOYSA-N 1 1 309.409 3.577 20 30 DHEDMO COc1ccccc1C[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000483602170 1035282657 /nfs/dbraw/zinc/28/26/57/1035282657.db2.gz QIKFWVQKIWMHRO-HXUWFJFHSA-N 1 1 305.421 3.754 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000483975961 1035311964 /nfs/dbraw/zinc/31/19/64/1035311964.db2.gz IKTVBMCRXBYRSJ-JQHSSLGASA-N 1 1 316.420 3.723 20 30 DHEDMO CCOc1ccc(CC[N@@H+](C)Cc2cccc(C#N)c2F)cc1 ZINC001176832669 1035332732 /nfs/dbraw/zinc/33/27/32/1035332732.db2.gz GAONJPSKDKZSNU-UHFFFAOYSA-N 1 1 312.388 3.771 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CNCc1cc(C)ccc1F)C(C)C ZINC001177226670 1035358827 /nfs/dbraw/zinc/35/88/27/1035358827.db2.gz VCZSMEFCLQKWOP-IBGZPJMESA-N 1 1 304.453 3.922 20 30 DHEDMO C=CCC(C)(C)c1noc([C@H]([NH3+])Cc2cc3ccccc3o2)n1 ZINC000904120907 1035367500 /nfs/dbraw/zinc/36/75/00/1035367500.db2.gz FQTREACLUFKXNS-CQSZACIVSA-N 1 1 311.385 3.912 20 30 DHEDMO C[C@H](C#N)c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)cc1 ZINC001177621460 1035385650 /nfs/dbraw/zinc/38/56/50/1035385650.db2.gz CDTSUJRGUMLMIX-RDTXWAMCSA-N 1 1 323.396 3.510 20 30 DHEDMO C[C@H](C#N)c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccco2)cc1 ZINC001177621460 1035385652 /nfs/dbraw/zinc/38/56/52/1035385652.db2.gz CDTSUJRGUMLMIX-RDTXWAMCSA-N 1 1 323.396 3.510 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2ccc(OC(F)F)cc2)no1 ZINC000904523182 1035421942 /nfs/dbraw/zinc/42/19/42/1035421942.db2.gz FTQLZJBSTVDLTD-CYBMUJFWSA-N 1 1 323.343 3.618 20 30 DHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(Cc2cc(C)on2)no1 ZINC000904607923 1035435563 /nfs/dbraw/zinc/43/55/63/1035435563.db2.gz WJKKIGWQVXCCSX-CQSZACIVSA-N 1 1 306.410 3.707 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(NC(C)(C)C)cn2)no1 ZINC000904643964 1035438724 /nfs/dbraw/zinc/43/87/24/1035438724.db2.gz MZXZBIDRVSFTOZ-CYBMUJFWSA-N 1 1 315.421 3.698 20 30 DHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2ccncc2OC)no1 ZINC000904694299 1035445382 /nfs/dbraw/zinc/44/53/82/1035445382.db2.gz CEMUHILJHDSBTE-CQSZACIVSA-N 1 1 318.421 3.891 20 30 DHEDMO C=CCCC1(C[NH2+]Cc2ccnn2-c2ccncc2)CCCC1 ZINC001179143471 1035465026 /nfs/dbraw/zinc/46/50/26/1035465026.db2.gz XOEXRIDFIZQASC-UHFFFAOYSA-N 1 1 310.445 3.884 20 30 DHEDMO COc1cc(C)[nH+]c(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000535282587 1035538533 /nfs/dbraw/zinc/53/85/33/1035538533.db2.gz CXSMUGMXFDNECA-VQTJNVASSA-N 1 1 321.424 3.670 20 30 DHEDMO COCC[N@@H+](Cc1csc(C)c1C)Cc1ccc(C#N)cc1 ZINC001180184066 1035607306 /nfs/dbraw/zinc/60/73/06/1035607306.db2.gz KZOHQFYRVBAYAU-UHFFFAOYSA-N 1 1 314.454 3.885 20 30 DHEDMO C#CC[N@@H+](Cc1cn(CCC)nc1C)[C@@H]1CCc2ccccc21 ZINC001180297445 1035651074 /nfs/dbraw/zinc/65/10/74/1035651074.db2.gz XOORGPGOILUGGJ-HXUWFJFHSA-N 1 1 307.441 3.724 20 30 DHEDMO C#CC[N@H+](Cc1cn(CCC)nc1C)[C@@H]1CCc2ccccc21 ZINC001180297445 1035651080 /nfs/dbraw/zinc/65/10/80/1035651080.db2.gz XOORGPGOILUGGJ-HXUWFJFHSA-N 1 1 307.441 3.724 20 30 DHEDMO C[C@@H]1C[C@@H](Nc2cccc(C#N)c2)C[N@@H+](Cc2ccccc2)C1 ZINC001180489303 1035686774 /nfs/dbraw/zinc/68/67/74/1035686774.db2.gz XTLJMVXYNLWFBK-OXQOHEQNSA-N 1 1 305.425 3.881 20 30 DHEDMO C=CC[C@H]1[N@@H+](CC(=O)NCc2cccc(C)c2)CCCC1(C)C ZINC001193920526 1035771112 /nfs/dbraw/zinc/77/11/12/1035771112.db2.gz OLYPXZYFKWMSSX-GOSISDBHSA-N 1 1 314.473 3.678 20 30 DHEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000494686346 1035772494 /nfs/dbraw/zinc/77/24/94/1035772494.db2.gz BWRGNFSFDWNRGL-INIZCTEOSA-N 1 1 324.424 3.710 20 30 DHEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000494686346 1035772509 /nfs/dbraw/zinc/77/25/09/1035772509.db2.gz BWRGNFSFDWNRGL-INIZCTEOSA-N 1 1 324.424 3.710 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000539728767 1035841430 /nfs/dbraw/zinc/84/14/30/1035841430.db2.gz BEZNCIBNSAKKLF-GOSISDBHSA-N 1 1 303.833 3.583 20 30 DHEDMO CCCCCCOC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001194157233 1035851024 /nfs/dbraw/zinc/85/10/24/1035851024.db2.gz DFPWSXMTVUTIFW-UHFFFAOYSA-N 1 1 321.446 3.736 20 30 DHEDMO CCCCCCOC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001194157233 1035851043 /nfs/dbraw/zinc/85/10/43/1035851043.db2.gz DFPWSXMTVUTIFW-UHFFFAOYSA-N 1 1 321.446 3.736 20 30 DHEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000193297683 1035858348 /nfs/dbraw/zinc/85/83/48/1035858348.db2.gz PBBCATCPOWRYKU-UHFFFAOYSA-N 1 1 318.436 3.720 20 30 DHEDMO C=CCOc1cccc(CN(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000539838070 1035878111 /nfs/dbraw/zinc/87/81/11/1035878111.db2.gz GFIDHQVTMJAALT-WMZOPIPTSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1cccc(C[N@@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)c1 ZINC000539838070 1035878202 /nfs/dbraw/zinc/87/82/02/1035878202.db2.gz GFIDHQVTMJAALT-WMZOPIPTSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1cccc(C[N@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)c1 ZINC000539838070 1035878220 /nfs/dbraw/zinc/87/82/20/1035878220.db2.gz GFIDHQVTMJAALT-WMZOPIPTSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1OC ZINC000539826104 1035881724 /nfs/dbraw/zinc/88/17/24/1035881724.db2.gz LDBMMLPALPFGIB-CALCHBBNSA-N 1 1 301.430 3.882 20 30 DHEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000539826961 1035887745 /nfs/dbraw/zinc/88/77/45/1035887745.db2.gz MPYUUBBMBKCHFA-NVXWUHKLSA-N 1 1 316.445 3.998 20 30 DHEDMO Cc1cc(C)cc(C[N@H+](C)Cc2cc(C#N)ccc2N(C)C)c1 ZINC001205657029 1035888661 /nfs/dbraw/zinc/88/86/61/1035888661.db2.gz WXKJLERFZNCFIN-UHFFFAOYSA-N 1 1 307.441 3.873 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485769687 1035945369 /nfs/dbraw/zinc/94/53/69/1035945369.db2.gz ZBMFXMINZNVCHY-UHFFFAOYSA-N 1 1 318.398 3.853 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485769687 1035945384 /nfs/dbraw/zinc/94/53/84/1035945384.db2.gz ZBMFXMINZNVCHY-UHFFFAOYSA-N 1 1 318.398 3.853 20 30 DHEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000929831803 1035946508 /nfs/dbraw/zinc/94/65/08/1035946508.db2.gz GMZNSPCRZLVOBA-QGZVFWFLSA-N 1 1 300.450 3.730 20 30 DHEDMO CC#CC[N@H+]1CCN(Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001194666670 1035989281 /nfs/dbraw/zinc/98/92/81/1035989281.db2.gz UBKAZVXWINTHLA-LJQANCHMSA-N 1 1 318.892 3.896 20 30 DHEDMO C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC001194745035 1036001072 /nfs/dbraw/zinc/00/10/72/1036001072.db2.gz KEZPRMXXUPEPDU-JFIYKMOQSA-N 1 1 313.445 3.623 20 30 DHEDMO C=C(CC)C[N@H+](CCC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000540215878 1036012024 /nfs/dbraw/zinc/01/20/24/1036012024.db2.gz WGJJHSCOQMMHIE-UHFFFAOYSA-N 1 1 316.493 3.740 20 30 DHEDMO C[Si](C)(C)c1ccc(C[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC001181859347 1036018504 /nfs/dbraw/zinc/01/85/04/1036018504.db2.gz GQYSIUHAAXQCCX-UHFFFAOYSA-N 1 1 312.464 3.532 20 30 DHEDMO COc1cccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c1C ZINC001194792140 1036022113 /nfs/dbraw/zinc/02/21/13/1036022113.db2.gz RJYJFNYRXGYREX-UHFFFAOYSA-N 1 1 324.424 3.524 20 30 DHEDMO CC1(C)C[N@H+](Cc2cccc(C#N)c2F)CC2(CCCC2)O1 ZINC000443335981 1036074061 /nfs/dbraw/zinc/07/40/61/1036074061.db2.gz QPSFGXCPOUBCEA-UHFFFAOYSA-N 1 1 302.393 3.621 20 30 DHEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)CC2(CCCC2)O1 ZINC000443335981 1036074080 /nfs/dbraw/zinc/07/40/80/1036074080.db2.gz QPSFGXCPOUBCEA-UHFFFAOYSA-N 1 1 302.393 3.621 20 30 DHEDMO C#CC[N@H+](Cc1cc(OC)ccc1O)[C@H]1CCc2ccccc21 ZINC000775629946 1036119796 /nfs/dbraw/zinc/11/97/96/1036119796.db2.gz IHCDZUMOBIIHQH-IBGZPJMESA-N 1 1 307.393 3.524 20 30 DHEDMO C#CC[N@H+](Cc1cc(OC)ccc1O)[C@@H]1CCc2ccccc21 ZINC000775629948 1036120255 /nfs/dbraw/zinc/12/02/55/1036120255.db2.gz IHCDZUMOBIIHQH-LJQANCHMSA-N 1 1 307.393 3.524 20 30 DHEDMO C=C(C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001182246218 1036146100 /nfs/dbraw/zinc/14/61/00/1036146100.db2.gz QFBLEGJSSXSAQM-IBGZPJMESA-N 1 1 308.425 3.552 20 30 DHEDMO C=C(C)CNC(=O)[C@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001182246218 1036146109 /nfs/dbraw/zinc/14/61/09/1036146109.db2.gz QFBLEGJSSXSAQM-IBGZPJMESA-N 1 1 308.425 3.552 20 30 DHEDMO COc1ccc(O)c(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000775656964 1036256734 /nfs/dbraw/zinc/25/67/34/1036256734.db2.gz ROIGYLFACOMOLZ-UHFFFAOYSA-N 1 1 324.424 3.931 20 30 DHEDMO COc1ccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)c(OC)c1 ZINC000090117404 1036256811 /nfs/dbraw/zinc/25/68/11/1036256811.db2.gz SCPBOLZUVSHLBL-LBPRGKRZSA-N 1 1 314.360 3.565 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CC(C)(C)c2ccccc2)c1 ZINC000775658582 1036267423 /nfs/dbraw/zinc/26/74/23/1036267423.db2.gz PREBOTPKUOTVMP-UHFFFAOYSA-N 1 1 320.436 3.516 20 30 DHEDMO C=CC[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000495121717 1036275100 /nfs/dbraw/zinc/27/51/00/1036275100.db2.gz WKYUHPBRQPRQGA-LJQANCHMSA-N 1 1 314.473 3.727 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC001195548488 1036279249 /nfs/dbraw/zinc/27/92/49/1036279249.db2.gz XTDAWYLJAJZAAT-IBGZPJMESA-N 1 1 305.425 3.950 20 30 DHEDMO CCCCCCCC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000914732880 1036284038 /nfs/dbraw/zinc/28/40/38/1036284038.db2.gz NKXKNJZQFSRHER-UHFFFAOYSA-N 1 1 316.489 3.912 20 30 DHEDMO Cc1cc([C@H]2C[N@H+](Cc3ccc(CC#N)cc3)CCO2)ccc1F ZINC000541328927 1036297855 /nfs/dbraw/zinc/29/78/55/1036297855.db2.gz VYWCXZBVXNHRFN-HXUWFJFHSA-N 1 1 324.399 3.774 20 30 DHEDMO Cc1cc([C@H]2C[N@@H+](Cc3ccc(CC#N)cc3)CCO2)ccc1F ZINC000541328927 1036297862 /nfs/dbraw/zinc/29/78/62/1036297862.db2.gz VYWCXZBVXNHRFN-HXUWFJFHSA-N 1 1 324.399 3.774 20 30 DHEDMO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000541388025 1036317865 /nfs/dbraw/zinc/31/78/65/1036317865.db2.gz UDIRLSZDXWINCK-ZDUSSCGKSA-N 1 1 319.836 3.518 20 30 DHEDMO Cc1cc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)ccc1C#N ZINC000487859703 1036337618 /nfs/dbraw/zinc/33/76/18/1036337618.db2.gz MCEIURXXUDRPHW-JXFKEZNVSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)ccc1C#N ZINC000487859703 1036337638 /nfs/dbraw/zinc/33/76/38/1036337638.db2.gz MCEIURXXUDRPHW-JXFKEZNVSA-N 1 1 306.409 3.829 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC001195945710 1036380154 /nfs/dbraw/zinc/38/01/54/1036380154.db2.gz BLWRONJPVVZEDF-AWEZNQCLSA-N 1 1 315.392 3.972 20 30 DHEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(C)c(C)c1)C2 ZINC001204354185 1036437950 /nfs/dbraw/zinc/43/79/50/1036437950.db2.gz ZCWYKFJAHMWHDJ-WOJBJXKFSA-N 1 1 315.457 3.630 20 30 DHEDMO COc1ccc2c(c1)CC[N@H+](Cc1c(C)cc(C#N)cc1C)C2 ZINC001196175098 1036463522 /nfs/dbraw/zinc/46/35/22/1036463522.db2.gz FHLRHOBFZNVNPM-UHFFFAOYSA-N 1 1 306.409 3.742 20 30 DHEDMO N#CCC1CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000541918730 1036464144 /nfs/dbraw/zinc/46/41/44/1036464144.db2.gz LEHCASFKVXBXSE-UHFFFAOYSA-N 1 1 300.299 3.970 20 30 DHEDMO N#Cc1cccc(OCC[NH2+][C@H](C(F)F)C2CCCCC2)c1 ZINC001196262746 1036486693 /nfs/dbraw/zinc/48/66/93/1036486693.db2.gz JGEJXVXZQJZRDZ-INIZCTEOSA-N 1 1 308.372 3.741 20 30 DHEDMO C#CCOCC[N@@H+]1CCC[C@]1(C)Cc1cccc2ccccc21 ZINC001196349334 1036512374 /nfs/dbraw/zinc/51/23/74/1036512374.db2.gz TUAOGORCPHVNET-OAQYLSRUSA-N 1 1 307.437 3.887 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001183066501 1036517389 /nfs/dbraw/zinc/51/73/89/1036517389.db2.gz ZNUYUBBQESCOEX-LBPRGKRZSA-N 1 1 311.882 3.795 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001183065942 1036517598 /nfs/dbraw/zinc/51/75/98/1036517598.db2.gz SMHXPZSYYGSZNQ-ZACQAIPSSA-N 1 1 322.493 3.920 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)C1 ZINC001196440759 1036525814 /nfs/dbraw/zinc/52/58/14/1036525814.db2.gz HATULOFLDYRCDT-ZDUSSCGKSA-N 1 1 303.356 3.549 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CC3(CCC3)C[C@H]2C)c1O ZINC000762139367 1036551629 /nfs/dbraw/zinc/55/16/29/1036551629.db2.gz GQWBHLBPKMEZMK-CQSZACIVSA-N 1 1 301.430 3.894 20 30 DHEDMO Fc1ccc(C#CC[NH+]2CCC(Cc3nccs3)CC2)cc1 ZINC001196728529 1036594449 /nfs/dbraw/zinc/59/44/49/1036594449.db2.gz ZSLQXUQZYZAJFO-UHFFFAOYSA-N 1 1 314.429 3.588 20 30 DHEDMO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nnc2n1CCCCC2 ZINC000271888326 1036619790 /nfs/dbraw/zinc/61/97/90/1036619790.db2.gz RGEKYKHIAHPNCU-WMLDXEAASA-N 1 1 323.444 3.678 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1 ZINC000491814053 1036648230 /nfs/dbraw/zinc/64/82/30/1036648230.db2.gz CGXAAVLAQFFDQR-GOSISDBHSA-N 1 1 312.800 3.763 20 30 DHEDMO C=CCN(C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC001183751939 1036670496 /nfs/dbraw/zinc/67/04/96/1036670496.db2.gz ZXWBHCHGBKROEB-IBGZPJMESA-N 1 1 312.457 3.608 20 30 DHEDMO C=CCN(C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC001183751939 1036670526 /nfs/dbraw/zinc/67/05/26/1036670526.db2.gz ZXWBHCHGBKROEB-IBGZPJMESA-N 1 1 312.457 3.608 20 30 DHEDMO C[C@H]([NH2+]Cc1sc(N(C)C)nc1Cl)c1cccc(C#N)c1 ZINC001183800789 1036676882 /nfs/dbraw/zinc/67/68/82/1036676882.db2.gz PJZQQBKEYDYBDA-JTQLQIEISA-N 1 1 320.849 3.585 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)c1=S ZINC000915210128 1036711624 /nfs/dbraw/zinc/71/16/24/1036711624.db2.gz UJDZLCUILFVECK-NUEKZKHPSA-N 1 1 320.506 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)c1=S ZINC000915210128 1036711636 /nfs/dbraw/zinc/71/16/36/1036711636.db2.gz UJDZLCUILFVECK-NUEKZKHPSA-N 1 1 320.506 3.767 20 30 DHEDMO C#Cc1ccc(C[N@H+](C)Cc2cc(-c3ccccc3)n[nH]2)cc1 ZINC001184238703 1036783834 /nfs/dbraw/zinc/78/38/34/1036783834.db2.gz FFCYIXMMPJHYFN-UHFFFAOYSA-N 1 1 301.393 3.690 20 30 DHEDMO C#Cc1ccc(C[N@@H+](C)Cc2cc(-c3ccccc3)n[nH]2)cc1 ZINC001184238703 1036783851 /nfs/dbraw/zinc/78/38/51/1036783851.db2.gz FFCYIXMMPJHYFN-UHFFFAOYSA-N 1 1 301.393 3.690 20 30 DHEDMO CC(C)([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1[N+](=O)[O-] ZINC000492240143 1036794217 /nfs/dbraw/zinc/79/42/17/1036794217.db2.gz LKWUBNTUESKOJJ-UHFFFAOYSA-N 1 1 313.332 3.630 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)c1ccc(F)cc1 ZINC000122587151 1036902357 /nfs/dbraw/zinc/90/23/57/1036902357.db2.gz CCJVSHGNEJWRJC-IBGZPJMESA-N 1 1 315.388 3.556 20 30 DHEDMO C#CC[N@@H+](Cc1cc(C)nnc1C)[C@@H]1CCCc2ccccc21 ZINC001198105362 1036955404 /nfs/dbraw/zinc/95/54/04/1036955404.db2.gz WZRGOQBYNCVJNU-HXUWFJFHSA-N 1 1 305.425 3.606 20 30 DHEDMO C#CC[N@H+](Cc1cc(C)nnc1C)[C@@H]1CCCc2ccccc21 ZINC001198105362 1036955416 /nfs/dbraw/zinc/95/54/16/1036955416.db2.gz WZRGOQBYNCVJNU-HXUWFJFHSA-N 1 1 305.425 3.606 20 30 DHEDMO Cc1cc(CNCc2cccc(C[NH+]3CCCC3)c2)ccc1C#N ZINC000443986261 1036970040 /nfs/dbraw/zinc/97/00/40/1036970040.db2.gz VUBIJWKSVKEBAZ-UHFFFAOYSA-N 1 1 319.452 3.752 20 30 DHEDMO Cc1cc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000488434493 1037017862 /nfs/dbraw/zinc/01/78/62/1037017862.db2.gz TVECNRCJPVSZCL-MGPUTAFESA-N 1 1 324.399 3.968 20 30 DHEDMO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000488434493 1037017873 /nfs/dbraw/zinc/01/78/73/1037017873.db2.gz TVECNRCJPVSZCL-MGPUTAFESA-N 1 1 324.399 3.968 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC001198489567 1037036571 /nfs/dbraw/zinc/03/65/71/1037036571.db2.gz BZOAHPXQOBAIQD-CVEARBPZSA-N 1 1 306.837 3.558 20 30 DHEDMO CC(C)NC(=O)OC[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000495898840 1037110222 /nfs/dbraw/zinc/11/02/22/1037110222.db2.gz QCROLLASOULFCK-MRXNPFEDSA-N 1 1 323.481 3.696 20 30 DHEDMO Cc1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)ccc1C#N ZINC000774911506 1037207483 /nfs/dbraw/zinc/20/74/83/1037207483.db2.gz HEVDPTUHZKOHED-ROUUACIJSA-N 1 1 310.397 3.548 20 30 DHEDMO C=CCN(CC=C)[C@@H](C[NH2+]Cc1cccc(O)c1Cl)C(C)C ZINC001199198332 1037212931 /nfs/dbraw/zinc/21/29/31/1037212931.db2.gz OWMKJZOOWQUXKK-INIZCTEOSA-N 1 1 322.880 3.834 20 30 DHEDMO CCc1c[nH]c2nc[nH+]c(N(Cc3ccc(C#N)cc3)C3CC3)c12 ZINC001185921984 1037273582 /nfs/dbraw/zinc/27/35/82/1037273582.db2.gz DUSJKLSSORUREF-UHFFFAOYSA-N 1 1 317.396 3.561 20 30 DHEDMO C=CC[NH+]1CCC(N[C@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000177906599 1037282462 /nfs/dbraw/zinc/28/24/62/1037282462.db2.gz WTAGHFGGOUXZSE-CQSZACIVSA-N 1 1 324.415 3.897 20 30 DHEDMO Cc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)s1 ZINC000091792338 1037329661 /nfs/dbraw/zinc/32/96/61/1037329661.db2.gz SRIBADCKMZFTNV-UHFFFAOYSA-N 1 1 311.454 3.641 20 30 DHEDMO N#Cc1nc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)sc1Cl ZINC001186285517 1037356998 /nfs/dbraw/zinc/35/69/98/1037356998.db2.gz SSFVFSCEFOAJAY-LBPRGKRZSA-N 1 1 324.881 3.877 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000609234140 1037413605 /nfs/dbraw/zinc/41/36/05/1037413605.db2.gz SRJZHGIVHJIDGD-IBGZPJMESA-N 1 1 310.372 3.661 20 30 DHEDMO COCC[N@@H+](CCCCC(C)(C)C#N)Cc1scnc1C ZINC000489445291 1037443732 /nfs/dbraw/zinc/44/37/32/1037443732.db2.gz GCRDMUIYEDHXAO-UHFFFAOYSA-N 1 1 309.479 3.620 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)(F)F)nc1 ZINC000489477218 1037453401 /nfs/dbraw/zinc/45/34/01/1037453401.db2.gz LXAOOVRGTLTGTG-CYBMUJFWSA-N 1 1 300.324 3.563 20 30 DHEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCCc2ccccc21 ZINC000763224438 1037519934 /nfs/dbraw/zinc/51/99/34/1037519934.db2.gz ABPPYWBILMAKLJ-WOJBJXKFSA-N 1 1 306.409 3.601 20 30 DHEDMO CC[C@@H](C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000387324248 1037541198 /nfs/dbraw/zinc/54/11/98/1037541198.db2.gz CYVNFJDIWQJPFK-MRXNPFEDSA-N 1 1 321.424 3.797 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H](C)CCC)[C@H]2CC ZINC001201542842 1037747813 /nfs/dbraw/zinc/74/78/13/1037747813.db2.gz MEYWPHSJNPLUIJ-LNLFQRSKSA-N 1 1 306.494 3.844 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@H+](C[C@@H](CC)CCCC)C2)C1=O ZINC001201559647 1037775440 /nfs/dbraw/zinc/77/54/40/1037775440.db2.gz MMDVCUYFVJIAJX-PKOBYXMFSA-N 1 1 306.494 3.703 20 30 DHEDMO CCCCCCCCCCC[N@H+]1Cc2ccnn2CC[C@H]1CO ZINC001201631738 1037801390 /nfs/dbraw/zinc/80/13/90/1037801390.db2.gz ZRGNWTUETDKTOA-IBGZPJMESA-N 1 1 321.509 3.981 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000763411504 1037826782 /nfs/dbraw/zinc/82/67/82/1037826782.db2.gz AACCLYJPDNCRJV-PMACEKPBSA-N 1 1 324.399 3.958 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1 ZINC000763404036 1037830523 /nfs/dbraw/zinc/83/05/23/1037830523.db2.gz QJYFAUYQXKXWEZ-PZJWPPBQSA-N 1 1 320.436 3.546 20 30 DHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763413687 1037832138 /nfs/dbraw/zinc/83/21/38/1037832138.db2.gz MTEWBRFYHHAPBX-LEWJYISDSA-N 1 1 322.452 3.935 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000916642476 1037842766 /nfs/dbraw/zinc/84/27/66/1037842766.db2.gz UOUJFCKEXHGIPG-HNNXBMFYSA-N 1 1 300.446 3.985 20 30 DHEDMO CCCCCCC[N@H+]1CCc2ncnc(OC(C)C)c2CC1 ZINC001201762710 1037883417 /nfs/dbraw/zinc/88/34/17/1037883417.db2.gz RKIIMXUPCQSNCV-UHFFFAOYSA-N 1 1 305.466 3.635 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@]2(C1)C(=O)NC[C@H]2c1ccccc1 ZINC001201762521 1037883938 /nfs/dbraw/zinc/88/39/38/1037883938.db2.gz NUBNFYQGCFXCCT-ICSRJNTNSA-N 1 1 314.473 3.563 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@H]2O[C@@H](c3nc(C)no3)CC[C@H]21 ZINC001201762237 1037884234 /nfs/dbraw/zinc/88/42/34/1037884234.db2.gz BZVGYQSRTSMNIT-BZUAXINKSA-N 1 1 307.438 3.643 20 30 DHEDMO CCCCCCC[N@H+]1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001201762332 1037885336 /nfs/dbraw/zinc/88/53/36/1037885336.db2.gz GOFANNKZRFKTHP-YQVWRLOYSA-N 1 1 318.461 3.663 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001201762554 1037885824 /nfs/dbraw/zinc/88/58/24/1037885824.db2.gz PGZQNBHJBOAFHQ-WOJBJXKFSA-N 1 1 322.537 3.637 20 30 DHEDMO CCCCCCC[N@@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1 ZINC001201762554 1037885895 /nfs/dbraw/zinc/88/58/95/1037885895.db2.gz PGZQNBHJBOAFHQ-WOJBJXKFSA-N 1 1 322.537 3.637 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@]2(CN(C)C[C@@H]2COCC2CC2)C1 ZINC001201762554 1037885917 /nfs/dbraw/zinc/88/59/17/1037885917.db2.gz PGZQNBHJBOAFHQ-WOJBJXKFSA-N 1 1 322.537 3.637 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001201814600 1037900595 /nfs/dbraw/zinc/90/05/95/1037900595.db2.gz QJGIKVDJIFNEOG-ROUUACIJSA-N 1 1 306.494 3.822 20 30 DHEDMO CCCCCCCC[N@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001201813530 1037901824 /nfs/dbraw/zinc/90/18/24/1037901824.db2.gz FXCWWJQUVQJVRC-OSYLJGHBSA-N 1 1 306.494 3.584 20 30 DHEDMO C=CCN(CC=C)CCN1CC[NH+](CCCCCCCC)CC1 ZINC001201840474 1037919125 /nfs/dbraw/zinc/91/91/25/1037919125.db2.gz XMNCCCOKTMRVMH-UHFFFAOYSA-N 1 1 321.553 3.639 20 30 DHEDMO Clc1ccc(C#CC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186624823 1037922441 /nfs/dbraw/zinc/92/24/41/1037922441.db2.gz RIGOBQWUOOXQGZ-FQEVSTJZSA-N 1 1 323.823 3.823 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186624823 1037922469 /nfs/dbraw/zinc/92/24/69/1037922469.db2.gz RIGOBQWUOOXQGZ-FQEVSTJZSA-N 1 1 323.823 3.823 20 30 DHEDMO CCCCCCCCCC[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC001201874604 1037924964 /nfs/dbraw/zinc/92/49/64/1037924964.db2.gz AECSXLPRCVWHPY-UHFFFAOYSA-N 1 1 323.569 3.839 20 30 DHEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000775179337 1037926203 /nfs/dbraw/zinc/92/62/03/1037926203.db2.gz NUIPQIWWQQDAHW-INIZCTEOSA-N 1 1 309.409 3.728 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc2c[nH]nc2c1 ZINC000125383554 1037934718 /nfs/dbraw/zinc/93/47/18/1037934718.db2.gz DGJIKGLYXXOKTD-UHFFFAOYSA-N 1 1 307.397 3.760 20 30 DHEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccc(F)cc1F ZINC000917053337 1038135005 /nfs/dbraw/zinc/13/50/05/1038135005.db2.gz FKTDDKHJPLCHGD-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO CN(C)c1ccc(C[N@H+](Cc2ccccc2C#N)C2CC2)cc1 ZINC000917073903 1038162499 /nfs/dbraw/zinc/16/24/99/1038162499.db2.gz HJNLXXBKYLVENE-UHFFFAOYSA-N 1 1 305.425 3.789 20 30 DHEDMO CN(C)c1ccc(C[N@@H+](Cc2ccccc2C#N)C2CC2)cc1 ZINC000917073903 1038162504 /nfs/dbraw/zinc/16/25/04/1038162504.db2.gz HJNLXXBKYLVENE-UHFFFAOYSA-N 1 1 305.425 3.789 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2C)o1)[C@@H]1CCCO1 ZINC000775342373 1038253060 /nfs/dbraw/zinc/25/30/60/1038253060.db2.gz QSBNZMGJHUPQKN-MJGOQNOKSA-N 1 1 313.372 3.665 20 30 DHEDMO CC(C)[N@H+](CCN1CCCCCC1)Cc1ccc(CC#N)cc1 ZINC000588208590 1038276151 /nfs/dbraw/zinc/27/61/51/1038276151.db2.gz QQGNNORYMGQHDS-UHFFFAOYSA-N 1 1 313.489 3.839 20 30 DHEDMO CC(C)[N@@H+](CCN1CCCCCC1)Cc1ccc(CC#N)cc1 ZINC000588208590 1038276153 /nfs/dbraw/zinc/27/61/53/1038276153.db2.gz QQGNNORYMGQHDS-UHFFFAOYSA-N 1 1 313.489 3.839 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC(C)(C)CO1 ZINC001190348633 1038303588 /nfs/dbraw/zinc/30/35/88/1038303588.db2.gz MRHCYPTZNXZPHK-SFHVURJKSA-N 1 1 300.446 3.975 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001190458125 1038325081 /nfs/dbraw/zinc/32/50/81/1038325081.db2.gz XEMOKZYTXIFRMB-NEWSRXKRSA-N 1 1 301.430 3.641 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC001190699901 1038364898 /nfs/dbraw/zinc/36/48/98/1038364898.db2.gz PSVJACAMBGAKNR-UHFFFAOYSA-N 1 1 314.360 3.965 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC001190699901 1038364913 /nfs/dbraw/zinc/36/49/13/1038364913.db2.gz PSVJACAMBGAKNR-UHFFFAOYSA-N 1 1 314.360 3.965 20 30 DHEDMO CCCCCCCCNC(=O)N1CC[N@@H+](C)CC12CCCC2 ZINC001191069093 1038428940 /nfs/dbraw/zinc/42/89/40/1038428940.db2.gz GFJCIDVLKLFXOG-UHFFFAOYSA-N 1 1 309.498 3.617 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)cc1 ZINC001191077879 1038434828 /nfs/dbraw/zinc/43/48/28/1038434828.db2.gz OFTCKXKLEWNBOE-SUMDDJOVSA-N 1 1 310.441 3.650 20 30 DHEDMO CCCCCCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001191104596 1038438731 /nfs/dbraw/zinc/43/87/31/1038438731.db2.gz JMOGBMSXZRDLBI-MRXNPFEDSA-N 1 1 319.449 3.523 20 30 DHEDMO C[C@@]1(C#N)CCC[N@@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000589258806 1038454634 /nfs/dbraw/zinc/45/46/34/1038454634.db2.gz RDFZBOOXIGWWRU-KRWDZBQOSA-N 1 1 301.821 3.920 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000589272790 1038456499 /nfs/dbraw/zinc/45/64/99/1038456499.db2.gz WREADEGWAYTRJJ-ZWKOTPCHSA-N 1 1 312.457 3.877 20 30 DHEDMO CCC#C[C@@H](C)[N@@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001191290119 1038481107 /nfs/dbraw/zinc/48/11/07/1038481107.db2.gz ZSVJXFZEMDMAAW-CVEARBPZSA-N 1 1 310.482 3.660 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](O)[C@@H](C)c1ccccc1 ZINC001191367086 1038497466 /nfs/dbraw/zinc/49/74/66/1038497466.db2.gz KZUKRNXJXPIERZ-LPHOPBHVSA-N 1 1 302.462 3.803 20 30 DHEDMO C[C@H](Cc1cccs1)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001191464932 1038510617 /nfs/dbraw/zinc/51/06/17/1038510617.db2.gz UFJHJCRDLBFJBI-GFCCVEGCSA-N 1 1 315.398 3.591 20 30 DHEDMO C[C@H](Cc1cccs1)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001191464932 1038510626 /nfs/dbraw/zinc/51/06/26/1038510626.db2.gz UFJHJCRDLBFJBI-GFCCVEGCSA-N 1 1 315.398 3.591 20 30 DHEDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccc(C#N)cc1 ZINC001191531385 1038514218 /nfs/dbraw/zinc/51/42/18/1038514218.db2.gz RLGBRRWODKTOKX-LJQANCHMSA-N 1 1 305.425 3.789 20 30 DHEDMO C=CCOc1ccc(CNCC[N@H+](C)[C@@H](C)CC)cc1Cl ZINC000589649179 1038529119 /nfs/dbraw/zinc/52/91/19/1038529119.db2.gz KBXXUOMZTCSVQE-AWEZNQCLSA-N 1 1 310.869 3.725 20 30 DHEDMO C=CCOc1ccc(C[NH2+]CCN(C)[C@@H](C)CC)cc1Cl ZINC000589649179 1038529123 /nfs/dbraw/zinc/52/91/23/1038529123.db2.gz KBXXUOMZTCSVQE-AWEZNQCLSA-N 1 1 310.869 3.725 20 30 DHEDMO CC[N@@H+](C[C@@H](O)Cc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000249765693 1038592644 /nfs/dbraw/zinc/59/26/44/1038592644.db2.gz OSMQBSGMUVUGQQ-UZLBHIALSA-N 1 1 308.425 3.545 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001192653150 1038687687 /nfs/dbraw/zinc/68/76/87/1038687687.db2.gz MJNAPTNXSXJTCG-CABCVRRESA-N 1 1 317.351 3.810 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000590755457 1038697816 /nfs/dbraw/zinc/69/78/16/1038697816.db2.gz JRDXOTBZHRLXLV-IPMKNSEASA-N 1 1 312.457 3.613 20 30 DHEDMO N#Cc1ccc(C[NH+]2CC(Cc3cccc(C(F)(F)F)c3)C2)o1 ZINC000590967250 1038733070 /nfs/dbraw/zinc/73/30/70/1038733070.db2.gz VBHFVIGOEPLURH-UHFFFAOYSA-N 1 1 320.314 3.845 20 30 DHEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)Cc2ccccc2O1 ZINC000573041088 1038738768 /nfs/dbraw/zinc/73/87/68/1038738768.db2.gz CCZINLQOHUONET-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)Cc2ccccc2O1 ZINC000573041088 1038738774 /nfs/dbraw/zinc/73/87/74/1038738774.db2.gz CCZINLQOHUONET-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO N#CC1(C[NH2+]Cc2ccnn2CCc2ccccc2)CCCCC1 ZINC000598649692 1038809476 /nfs/dbraw/zinc/80/94/76/1038809476.db2.gz YLDMOKUXZWRVOB-UHFFFAOYSA-N 1 1 322.456 3.689 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccccc1F ZINC000061001567 1038849169 /nfs/dbraw/zinc/84/91/69/1038849169.db2.gz QSRGMIBHHFJQIB-LJQANCHMSA-N 1 1 312.388 3.643 20 30 DHEDMO COc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1OC1CC1 ZINC000598988753 1038965763 /nfs/dbraw/zinc/96/57/63/1038965763.db2.gz SKGNFKQISLTTPR-UHFFFAOYSA-N 1 1 314.429 3.800 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccnc(Oc2ccc(F)cc2)c1 ZINC000591728866 1038969054 /nfs/dbraw/zinc/96/90/54/1038969054.db2.gz IGXBTSFPGBKIBT-HNNXBMFYSA-N 1 1 324.359 3.546 20 30 DHEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000593687097 1039064210 /nfs/dbraw/zinc/06/42/10/1039064210.db2.gz CBAXNIMFHIQAFZ-UHFFFAOYSA-N 1 1 306.287 3.949 20 30 DHEDMO N#Cc1cnccc1C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000592121196 1039114513 /nfs/dbraw/zinc/11/45/13/1039114513.db2.gz OHYNUMMENHAZJH-UHFFFAOYSA-N 1 1 311.816 3.986 20 30 DHEDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccncc2C#N)C12CCCCC2 ZINC000592073002 1039115044 /nfs/dbraw/zinc/11/50/44/1039115044.db2.gz UEHDPHCDICYWDB-ROUUACIJSA-N 1 1 313.445 3.513 20 30 DHEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccncc2C#N)C12CCCCC2 ZINC000592073002 1039115052 /nfs/dbraw/zinc/11/50/52/1039115052.db2.gz UEHDPHCDICYWDB-ROUUACIJSA-N 1 1 313.445 3.513 20 30 DHEDMO N#Cc1cnccc1C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000592068096 1039116687 /nfs/dbraw/zinc/11/66/87/1039116687.db2.gz AYALUDPUIAGFNE-UHFFFAOYSA-N 1 1 305.425 3.941 20 30 DHEDMO COCCCC[C@H]([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000592121556 1039120789 /nfs/dbraw/zinc/12/07/89/1039120789.db2.gz STWOPZKIZDITEP-IBGZPJMESA-N 1 1 309.413 3.601 20 30 DHEDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1Cc1ccncc1C#N ZINC000592124726 1039122273 /nfs/dbraw/zinc/12/22/73/1039122273.db2.gz LHMFGGXDOMDBAV-IBGZPJMESA-N 1 1 309.388 3.690 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000592123663 1039123319 /nfs/dbraw/zinc/12/33/19/1039123319.db2.gz XUTBDLZSLYVXCM-AQNXPRMDSA-N 1 1 303.409 3.721 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000592124880 1039124337 /nfs/dbraw/zinc/12/43/37/1039124337.db2.gz LPTBVSWGZDBCIU-LJQANCHMSA-N 1 1 303.409 3.723 20 30 DHEDMO COc1ccc(C#N)cc1C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000592137676 1039131157 /nfs/dbraw/zinc/13/11/57/1039131157.db2.gz NXZXNSCXXFIGFK-UHFFFAOYSA-N 1 1 312.800 3.999 20 30 DHEDMO C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000592143594 1039136749 /nfs/dbraw/zinc/13/67/49/1039136749.db2.gz JVKJAYRVLAJFQR-KRWDZBQOSA-N 1 1 315.417 3.751 20 30 DHEDMO C[C@@]1(Cc2ccccc2F)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000592143594 1039136763 /nfs/dbraw/zinc/13/67/63/1039136763.db2.gz JVKJAYRVLAJFQR-KRWDZBQOSA-N 1 1 315.417 3.751 20 30 DHEDMO Cc1ccc(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1C#N ZINC000599421316 1039149826 /nfs/dbraw/zinc/14/98/26/1039149826.db2.gz CFXKGWAWNPLXKB-FQEVSTJZSA-N 1 1 317.436 3.504 20 30 DHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000592198809 1039181459 /nfs/dbraw/zinc/18/14/59/1039181459.db2.gz WAJJNBSFAGCBSC-HNNXBMFYSA-N 1 1 317.458 3.603 20 30 DHEDMO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cc2n(n1)CCCC2 ZINC000592390808 1039187955 /nfs/dbraw/zinc/18/79/55/1039187955.db2.gz PAUKNPBIDPPNBG-LIRRHRJNSA-N 1 1 320.440 3.819 20 30 DHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2ccccc2C#N)c1 ZINC000603867948 1039199532 /nfs/dbraw/zinc/19/95/32/1039199532.db2.gz GKACCOCKUFJTAB-IBGZPJMESA-N 1 1 306.409 3.774 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1Cl ZINC000603894757 1039215968 /nfs/dbraw/zinc/21/59/68/1039215968.db2.gz GBHRIVKLNYFGIU-UHFFFAOYSA-N 1 1 314.816 3.860 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1Cl ZINC000603894757 1039215974 /nfs/dbraw/zinc/21/59/74/1039215974.db2.gz GBHRIVKLNYFGIU-UHFFFAOYSA-N 1 1 314.816 3.860 20 30 DHEDMO COc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCCC#N ZINC000599573046 1039218887 /nfs/dbraw/zinc/21/88/87/1039218887.db2.gz LVRHXRRKSGGGPU-AWEZNQCLSA-N 1 1 323.234 3.898 20 30 DHEDMO COc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCCC#N ZINC000599573046 1039218901 /nfs/dbraw/zinc/21/89/01/1039218901.db2.gz LVRHXRRKSGGGPU-AWEZNQCLSA-N 1 1 323.234 3.898 20 30 DHEDMO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592522781 1039224068 /nfs/dbraw/zinc/22/40/68/1039224068.db2.gz RVIPSXAYMMAQHA-OXJNMPFZSA-N 1 1 314.473 3.513 20 30 DHEDMO C/C=C/C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000599692807 1039259393 /nfs/dbraw/zinc/25/93/93/1039259393.db2.gz XWMCPDHYHMHSMC-OBMMGQTPSA-N 1 1 311.429 3.563 20 30 DHEDMO C/C=C/C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000599690238 1039259790 /nfs/dbraw/zinc/25/97/90/1039259790.db2.gz LZQUOYYHUZRKPL-KZSQQDEKSA-N 1 1 322.412 3.786 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)cc1F ZINC000599679717 1039266341 /nfs/dbraw/zinc/26/63/41/1039266341.db2.gz NYOFOKJJYVOMHA-SFHVURJKSA-N 1 1 324.399 3.890 20 30 DHEDMO Cc1ccc(C)c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000058580568 1039294258 /nfs/dbraw/zinc/29/42/58/1039294258.db2.gz WTFOTPSVQDTXIW-UHFFFAOYSA-N 1 1 319.452 3.887 20 30 DHEDMO C=CC[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1F ZINC000604071772 1039333787 /nfs/dbraw/zinc/33/37/87/1039333787.db2.gz YLBZUFJMLZCXHT-UHFFFAOYSA-N 1 1 310.372 3.764 20 30 DHEDMO C=CC[N@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1F ZINC000604071772 1039333810 /nfs/dbraw/zinc/33/38/10/1039333810.db2.gz YLBZUFJMLZCXHT-UHFFFAOYSA-N 1 1 310.372 3.764 20 30 DHEDMO Cc1ccc(CN2CC[C@H](C[N@H+](C)[C@H]3CC[C@@H](C#N)C3)C2)s1 ZINC000593030875 1039362583 /nfs/dbraw/zinc/36/25/83/1039362583.db2.gz PIXCPZRNKNNPON-ZACQAIPSSA-N 1 1 317.502 3.503 20 30 DHEDMO C=CCn1c2ccccc2nc1SCCCc1c[nH+]cn1C ZINC000574221197 1039425393 /nfs/dbraw/zinc/42/53/93/1039425393.db2.gz VUWCCYHSHDQLFE-UHFFFAOYSA-N 1 1 312.442 3.681 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC1(C#N)CCCC1 ZINC000593649464 1039575268 /nfs/dbraw/zinc/57/52/68/1039575268.db2.gz HONIJDZQKTZOAV-UHFFFAOYSA-N 1 1 308.429 3.663 20 30 DHEDMO N#CC1(C[NH2+]Cc2ccccc2OCc2ccccn2)CCCC1 ZINC000593649840 1039576112 /nfs/dbraw/zinc/57/61/12/1039576112.db2.gz KXDDXIZBKLDKIN-UHFFFAOYSA-N 1 1 321.424 3.834 20 30 DHEDMO N#CC1(C[NH2+]Cc2ccccc2OCc2cccnc2)CCCC1 ZINC000593649437 1039577665 /nfs/dbraw/zinc/57/76/65/1039577665.db2.gz DKSZTVMFCHKFHI-UHFFFAOYSA-N 1 1 321.424 3.834 20 30 DHEDMO N#CC1(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000593654315 1039579363 /nfs/dbraw/zinc/57/93/63/1039579363.db2.gz VPNVYWBABITEQY-IBGZPJMESA-N 1 1 323.484 3.857 20 30 DHEDMO N#CC1(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000593654315 1039579377 /nfs/dbraw/zinc/57/93/77/1039579377.db2.gz VPNVYWBABITEQY-IBGZPJMESA-N 1 1 323.484 3.857 20 30 DHEDMO CC(C)(C)OC(=O)c1ccc(C[NH2+]CC2(C#N)CCCC2)cc1 ZINC000593653724 1039581294 /nfs/dbraw/zinc/58/12/94/1039581294.db2.gz VTKNMWZYFCFUMZ-UHFFFAOYSA-N 1 1 314.429 3.815 20 30 DHEDMO Cn1cc([C@@H]2C[N@@H+](CCC3(C#N)CCCCC3)CC2(C)C)cn1 ZINC000593998677 1039650763 /nfs/dbraw/zinc/65/07/63/1039650763.db2.gz SPSROJATOHNJAF-KRWDZBQOSA-N 1 1 314.477 3.710 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000594010028 1039679636 /nfs/dbraw/zinc/67/96/36/1039679636.db2.gz VTBKDQKTTHYBPO-INIZCTEOSA-N 1 1 319.493 3.762 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000605742850 1039743964 /nfs/dbraw/zinc/74/39/64/1039743964.db2.gz GJFJGTQPLLIJBD-INIZCTEOSA-N 1 1 310.441 3.915 20 30 DHEDMO C[C@@H]1CCCC[N@@H+]1CCCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594494133 1039797300 /nfs/dbraw/zinc/79/73/00/1039797300.db2.gz URVGHHHNUTXVDU-QGZVFWFLSA-N 1 1 313.489 3.842 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594494133 1039797317 /nfs/dbraw/zinc/79/73/17/1039797317.db2.gz URVGHHHNUTXVDU-QGZVFWFLSA-N 1 1 313.489 3.842 20 30 DHEDMO CC(C)(C#N)c1ccc(C[NH2+]Cc2noc3c2CCCC3)cc1 ZINC000594515044 1039815757 /nfs/dbraw/zinc/81/57/57/1039815757.db2.gz DMZBKUQWZHLZSG-UHFFFAOYSA-N 1 1 309.413 3.644 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000594610848 1039873099 /nfs/dbraw/zinc/87/30/99/1039873099.db2.gz VLJFVOLTWGCKMK-UYAOXDASSA-N 1 1 310.441 3.631 20 30 DHEDMO CC(C)([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000594970557 1039946534 /nfs/dbraw/zinc/94/65/34/1039946534.db2.gz XZFSLNSQGHNNLD-UHFFFAOYSA-N 1 1 301.371 3.553 20 30 DHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](C)CC1CCCCC1 ZINC000172607160 1039962011 /nfs/dbraw/zinc/96/20/11/1039962011.db2.gz CAKGOTXFQOTCBC-UHFFFAOYSA-N 1 1 323.444 3.595 20 30 DHEDMO N#CC1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CCCCC1 ZINC000594995435 1040011545 /nfs/dbraw/zinc/01/15/45/1040011545.db2.gz QGXDVKGVRMRPHQ-UHFFFAOYSA-N 1 1 320.820 3.675 20 30 DHEDMO C=CCCSCC[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000595060578 1040025388 /nfs/dbraw/zinc/02/53/88/1040025388.db2.gz VWCHXQKLNNLPKK-INIZCTEOSA-N 1 1 319.449 3.548 20 30 DHEDMO C=CCCSCC[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000595060537 1040025504 /nfs/dbraw/zinc/02/55/04/1040025504.db2.gz VBPKNUMVORHEIL-OAHLLOKOSA-N 1 1 305.422 3.537 20 30 DHEDMO C=CCCCCCN(C)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000606972203 1040047457 /nfs/dbraw/zinc/04/74/57/1040047457.db2.gz IDGINZRTOPIUNO-KSZLIROESA-N 1 1 323.525 3.741 20 30 DHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000595090592 1040074900 /nfs/dbraw/zinc/07/49/00/1040074900.db2.gz IMTOBMNJVWWICO-OAHLLOKOSA-N 1 1 313.445 3.513 20 30 DHEDMO C[C@@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(C#N)cc1F ZINC000595081971 1040076558 /nfs/dbraw/zinc/07/65/58/1040076558.db2.gz VKSYQAACMPYPEZ-GDBMZVCRSA-N 1 1 315.436 3.755 20 30 DHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cncc(Br)c1 ZINC000595091896 1040078312 /nfs/dbraw/zinc/07/83/12/1040078312.db2.gz UBDCKWYJXBJHAW-GFCCVEGCSA-N 1 1 322.250 3.969 20 30 DHEDMO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)C1 ZINC000595095609 1040078585 /nfs/dbraw/zinc/07/85/85/1040078585.db2.gz RMVWVCBDIWFMDK-AQNXPRMDSA-N 1 1 323.484 3.571 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)C1 ZINC000595095611 1040080027 /nfs/dbraw/zinc/08/00/27/1040080027.db2.gz RMVWVCBDIWFMDK-VAMGGRTRSA-N 1 1 323.484 3.571 20 30 DHEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1ccc(Br)o1 ZINC000595287873 1040096260 /nfs/dbraw/zinc/09/62/60/1040096260.db2.gz OLZUINWENORLCB-UHFFFAOYSA-N 1 1 319.202 3.588 20 30 DHEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](C#N)c1ccccc1 ZINC000595334022 1040102872 /nfs/dbraw/zinc/10/28/72/1040102872.db2.gz LMRRTYVOPSWOPT-CTNGQTDRSA-N 1 1 319.452 3.705 20 30 DHEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1nc2c(s1)CCCC2 ZINC000595333274 1040103420 /nfs/dbraw/zinc/10/34/20/1040103420.db2.gz ONYONGLRHUVHBE-UHFFFAOYSA-N 1 1 311.454 3.568 20 30 DHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000172919899 1040105136 /nfs/dbraw/zinc/10/51/36/1040105136.db2.gz SWUQDEPWABJALN-CABCVRRESA-N 1 1 323.444 3.593 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccsc2)c([N+](=O)[O-])c1 ZINC000592999192 1040132570 /nfs/dbraw/zinc/13/25/70/1040132570.db2.gz NAZXXZZUQCDAFP-OAHLLOKOSA-N 1 1 313.382 3.865 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccsc2)c([N+](=O)[O-])c1 ZINC000592999192 1040132581 /nfs/dbraw/zinc/13/25/81/1040132581.db2.gz NAZXXZZUQCDAFP-OAHLLOKOSA-N 1 1 313.382 3.865 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000595467902 1040146752 /nfs/dbraw/zinc/14/67/52/1040146752.db2.gz VAMWXPCAWBDZRC-VAMGGRTRSA-N 1 1 312.457 3.506 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000595619384 1040193655 /nfs/dbraw/zinc/19/36/55/1040193655.db2.gz ADCMENFPFRJLHN-CQSZACIVSA-N 1 1 312.335 3.753 20 30 DHEDMO CC1(C)C[C@H]([N@@H+](CCCSCC#N)Cc2ccccc2)CO1 ZINC000595634614 1040198608 /nfs/dbraw/zinc/19/86/08/1040198608.db2.gz DBDOSZORFCNDQA-KRWDZBQOSA-N 1 1 318.486 3.703 20 30 DHEDMO CC1(C)C[C@H]([N@H+](Cc2ccccc2)Cc2ccc(C#N)cn2)CO1 ZINC000595637921 1040198883 /nfs/dbraw/zinc/19/88/83/1040198883.db2.gz NEPJOWPELWMQGL-IBGZPJMESA-N 1 1 321.424 3.523 20 30 DHEDMO CC1(C)C[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(C#N)cn2)CO1 ZINC000595637921 1040198890 /nfs/dbraw/zinc/19/88/90/1040198890.db2.gz NEPJOWPELWMQGL-IBGZPJMESA-N 1 1 321.424 3.523 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000595615816 1040206342 /nfs/dbraw/zinc/20/63/42/1040206342.db2.gz UGZRAJTWMXXONO-KRWDZBQOSA-N 1 1 321.424 3.786 20 30 DHEDMO CC(C)([NH2+]Cc1ccn(C2CCCC2)n1)c1cccc(C#N)c1 ZINC000595641020 1040211331 /nfs/dbraw/zinc/21/13/31/1040211331.db2.gz WWSYNWBZLIQGQI-UHFFFAOYSA-N 1 1 308.429 3.895 20 30 DHEDMO N#CC1(CCC[N@H+]2CC[C@@H](C3CCCCC3)C2)CCOCC1 ZINC000595731522 1040233948 /nfs/dbraw/zinc/23/39/48/1040233948.db2.gz AJJMLEFLJIHKKA-GOSISDBHSA-N 1 1 304.478 3.989 20 30 DHEDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1ccc(-c3ccccc3C#N)cc1)C2 ZINC000595761538 1040235941 /nfs/dbraw/zinc/23/59/41/1040235941.db2.gz XRNHVRANWQHSKT-TZIWHRDSSA-N 1 1 318.420 3.694 20 30 DHEDMO COC(=O)[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)[C@@H]2CCCC[C@H]12 ZINC000595735333 1040238511 /nfs/dbraw/zinc/23/85/11/1040238511.db2.gz XCKCZJFSARPLEC-BRWVUGGUSA-N 1 1 320.477 3.760 20 30 DHEDMO Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842768 1040260715 /nfs/dbraw/zinc/26/07/15/1040260715.db2.gz VCILXEJWYDBIJI-IBGZPJMESA-N 1 1 310.445 3.751 20 30 DHEDMO C[C@H](CC[N@@H+]1Cc2cccc(C#N)c2C1)OCc1ccccc1 ZINC000593125820 1040261897 /nfs/dbraw/zinc/26/18/97/1040261897.db2.gz GZALDWKMVKIZEN-MRXNPFEDSA-N 1 1 306.409 3.869 20 30 DHEDMO C[C@H](CC[N@H+]1Cc2cccc(C#N)c2C1)OCc1ccccc1 ZINC000593125820 1040261916 /nfs/dbraw/zinc/26/19/16/1040261916.db2.gz GZALDWKMVKIZEN-MRXNPFEDSA-N 1 1 306.409 3.869 20 30 DHEDMO CC[C@]1(C)CCC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173424319 1040263622 /nfs/dbraw/zinc/26/36/22/1040263622.db2.gz JUKGWVJNUFZMHL-LJQANCHMSA-N 1 1 323.444 3.595 20 30 DHEDMO C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@@H](CC(F)(F)F)O1 ZINC000595892165 1040270829 /nfs/dbraw/zinc/27/08/29/1040270829.db2.gz KESKJGWVAMROQK-UONOGXRCSA-N 1 1 318.383 3.892 20 30 DHEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@@H](CC(F)(F)F)O1 ZINC000595892165 1040270853 /nfs/dbraw/zinc/27/08/53/1040270853.db2.gz KESKJGWVAMROQK-UONOGXRCSA-N 1 1 318.383 3.892 20 30 DHEDMO CC[N@@H+](CCCC(C)(C)C#N)CCOc1ccccc1OC ZINC000595879917 1040271172 /nfs/dbraw/zinc/27/11/72/1040271172.db2.gz XAJAHMIXBSKLKW-UHFFFAOYSA-N 1 1 304.434 3.726 20 30 DHEDMO Cc1ccc2c(c1Br)C[N@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000595873926 1040278503 /nfs/dbraw/zinc/27/85/03/1040278503.db2.gz NQHZEXHXNNHGAJ-WCQYABFASA-N 1 1 305.219 3.765 20 30 DHEDMO Cc1ccc2c(c1Br)C[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000595873926 1040278518 /nfs/dbraw/zinc/27/85/18/1040278518.db2.gz NQHZEXHXNNHGAJ-WCQYABFASA-N 1 1 305.219 3.765 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094809 1040305640 /nfs/dbraw/zinc/30/56/40/1040305640.db2.gz MKTGHHSEIMJKLS-GHTZIAJQSA-N 1 1 323.484 3.647 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094809 1040305653 /nfs/dbraw/zinc/30/56/53/1040305653.db2.gz MKTGHHSEIMJKLS-GHTZIAJQSA-N 1 1 323.484 3.647 20 30 DHEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000063762622 1040482721 /nfs/dbraw/zinc/48/27/21/1040482721.db2.gz MMNMPXALWNKLNH-MRXNPFEDSA-N 1 1 320.436 3.620 20 30 DHEDMO N#Cc1c(Cl)cccc1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570369 1040491806 /nfs/dbraw/zinc/49/18/06/1040491806.db2.gz IUPNKYCZFPSTJA-AWEZNQCLSA-N 1 1 303.837 3.746 20 30 DHEDMO COc1cccc(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000596977358 1040611849 /nfs/dbraw/zinc/61/18/49/1040611849.db2.gz KIXQYUTWGWGBRN-UHFFFAOYSA-N 1 1 306.409 3.882 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cc1O ZINC000597001091 1040620596 /nfs/dbraw/zinc/62/05/96/1040620596.db2.gz PTZGTWRYCXOQPJ-UHFFFAOYSA-N 1 1 322.408 3.588 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C3(C#N)CC3)cc2)on1 ZINC000596989483 1040624593 /nfs/dbraw/zinc/62/45/93/1040624593.db2.gz AHMIEUVAOVRKRD-KRWDZBQOSA-N 1 1 307.397 3.875 20 30 DHEDMO CN1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)Cc2ccccc21 ZINC000596995517 1040627574 /nfs/dbraw/zinc/62/75/74/1040627574.db2.gz IXFNJHJZSYJPJQ-UHFFFAOYSA-N 1 1 317.436 3.694 20 30 DHEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000596996318 1040628481 /nfs/dbraw/zinc/62/84/81/1040628481.db2.gz RRZSXXXNMNPFDE-IBGZPJMESA-N 1 1 316.445 3.616 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000596996318 1040628490 /nfs/dbraw/zinc/62/84/90/1040628490.db2.gz RRZSXXXNMNPFDE-IBGZPJMESA-N 1 1 316.445 3.616 20 30 DHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CC1CCCC1 ZINC000064020873 1040647778 /nfs/dbraw/zinc/64/77/78/1040647778.db2.gz VDSPWNVRGLUQBI-GFCCVEGCSA-N 1 1 319.836 3.661 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000060465657 1040661443 /nfs/dbraw/zinc/66/14/43/1040661443.db2.gz BAAGAUIZIAGXCQ-UHFFFAOYSA-N 1 1 310.372 3.741 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N(C)C)c1 ZINC000060467849 1040670058 /nfs/dbraw/zinc/67/00/58/1040670058.db2.gz BIVCRBJXOQBHML-UHFFFAOYSA-N 1 1 308.425 3.577 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H](c4cccnc4)C3)cc2)CC1 ZINC000597155637 1040670876 /nfs/dbraw/zinc/67/08/76/1040670876.db2.gz USIRAGAVKADODO-SFHVURJKSA-N 1 1 303.409 3.626 20 30 DHEDMO CCCCOc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1OC ZINC000597173138 1040676328 /nfs/dbraw/zinc/67/63/28/1040676328.db2.gz GMARNYUXPMGHOD-INIZCTEOSA-N 1 1 316.445 4.000 20 30 DHEDMO COc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1OC(C)C ZINC000597174313 1040676458 /nfs/dbraw/zinc/67/64/58/1040676458.db2.gz OVEOMIVKOXRSNP-OAHLLOKOSA-N 1 1 302.418 3.608 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000597177437 1040678766 /nfs/dbraw/zinc/67/87/66/1040678766.db2.gz MICXZHVBTUELDW-ZDUSSCGKSA-N 1 1 314.820 3.856 20 30 DHEDMO COc1cccc([C@@]2(C)CC[N@@H+](CC(C)(C)CCC#N)C2)c1 ZINC000597211756 1040685780 /nfs/dbraw/zinc/68/57/80/1040685780.db2.gz OPOXEFHGFOBHDD-IBGZPJMESA-N 1 1 300.446 3.989 20 30 DHEDMO COc1ccc(C[N@@H+](C)C[C@H]2CC2(C)C)cc1OCCCC#N ZINC000597251982 1040713404 /nfs/dbraw/zinc/71/34/04/1040713404.db2.gz GTJPIAJIBUGZNZ-MRXNPFEDSA-N 1 1 316.445 3.856 20 30 DHEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCCc2ccccc21 ZINC000534333039 1040804957 /nfs/dbraw/zinc/80/49/57/1040804957.db2.gz GBRQPCDRYYDNQB-LJQANCHMSA-N 1 1 316.408 3.715 20 30 DHEDMO C=CCOc1ccc(C[N@H+](Cc2ccccc2)C[C@H](C)O)cc1 ZINC000534345201 1040814442 /nfs/dbraw/zinc/81/44/42/1040814442.db2.gz IQHOGBDOGZSXSR-KRWDZBQOSA-N 1 1 311.425 3.634 20 30 DHEDMO CC(C)[C@H](O)[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000602028834 1040858341 /nfs/dbraw/zinc/85/83/41/1040858341.db2.gz QOUMBMJFICHDRQ-MOPGFXCFSA-N 1 1 312.388 3.545 20 30 DHEDMO COc1ccc(OC)c(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000442668169 1040998807 /nfs/dbraw/zinc/99/88/07/1040998807.db2.gz CDMLMFMXRKARLN-CQSZACIVSA-N 1 1 310.397 3.768 20 30 DHEDMO COc1ccc(C[N@@H+](C)C[C@H](C)CCC#N)cc1OC(F)F ZINC000602438900 1041031360 /nfs/dbraw/zinc/03/13/60/1041031360.db2.gz CGXRXOHMXFKVOB-GFCCVEGCSA-N 1 1 312.360 3.668 20 30 DHEDMO COc1cc(C[N@@H+](C)C[C@H](C)CCC#N)ccc1OC(F)F ZINC000602434017 1041033641 /nfs/dbraw/zinc/03/36/41/1041033641.db2.gz OFAHBZQVBMJNPL-GFCCVEGCSA-N 1 1 312.360 3.668 20 30 DHEDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1cccc(C#N)n1 ZINC000602456514 1041042469 /nfs/dbraw/zinc/04/24/69/1041042469.db2.gz YAZHDTQNOYHYSC-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1cccc(C#N)n1 ZINC000602456514 1041042487 /nfs/dbraw/zinc/04/24/87/1041042487.db2.gz YAZHDTQNOYHYSC-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000602467566 1041046964 /nfs/dbraw/zinc/04/69/64/1041046964.db2.gz XMUQGKVXBAFPBI-RDTXWAMCSA-N 1 1 314.408 3.520 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1CCSCC1 ZINC000602485085 1041053129 /nfs/dbraw/zinc/05/31/29/1041053129.db2.gz PRSUFANFEJXOQD-MSOLQXFVSA-N 1 1 300.471 3.901 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc(F)c1N ZINC000602481640 1041054681 /nfs/dbraw/zinc/05/46/81/1041054681.db2.gz HDKKPBMIKGIAHP-WMZOPIPTSA-N 1 1 309.388 3.680 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1N ZINC000602481640 1041054691 /nfs/dbraw/zinc/05/46/91/1041054691.db2.gz HDKKPBMIKGIAHP-WMZOPIPTSA-N 1 1 309.388 3.680 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)N(C)[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000602692901 1041155008 /nfs/dbraw/zinc/15/50/08/1041155008.db2.gz OCQYWSKGXYZRDS-KBXCAEBGSA-N 1 1 323.444 3.991 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000602692982 1041155186 /nfs/dbraw/zinc/15/51/86/1041155186.db2.gz KJALBJLPKBOCQA-HOTGVXAUSA-N 1 1 308.466 3.760 20 30 DHEDMO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1cccc(C#N)n1 ZINC000602695428 1041157361 /nfs/dbraw/zinc/15/73/61/1041157361.db2.gz UEPFEWORHTYRCX-UHFFFAOYSA-N 1 1 315.804 3.640 20 30 DHEDMO N#CC1(CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000602700430 1041165425 /nfs/dbraw/zinc/16/54/25/1041165425.db2.gz WFUMPDJBJVCEJD-IEBWSBKVSA-N 1 1 309.457 3.638 20 30 DHEDMO N#Cc1cccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000602707110 1041170322 /nfs/dbraw/zinc/17/03/22/1041170322.db2.gz SURKMQBGEXLNFL-UHFFFAOYSA-N 1 1 317.314 3.751 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)ccc1C#N ZINC000602732235 1041185604 /nfs/dbraw/zinc/18/56/04/1041185604.db2.gz QXIDRZLUFXBNQM-VQTJNVASSA-N 1 1 306.409 3.565 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(Cc3nccs3)CC2)c(F)c1 ZINC000602735711 1041187660 /nfs/dbraw/zinc/18/76/60/1041187660.db2.gz XHHYLRKZVYUNPQ-UHFFFAOYSA-N 1 1 315.417 3.609 20 30 DHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC1(CC#N)CC1 ZINC000602770994 1041201882 /nfs/dbraw/zinc/20/18/82/1041201882.db2.gz BSVQGEGIMOMYDU-UHFFFAOYSA-N 1 1 309.413 3.900 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cccc3c2CCOC3)C2CC2)cc1 ZINC000602769158 1041209546 /nfs/dbraw/zinc/20/95/46/1041209546.db2.gz NLSCHQUPHXELMD-UHFFFAOYSA-N 1 1 318.420 3.796 20 30 DHEDMO N#CCC1(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000602786951 1041212363 /nfs/dbraw/zinc/21/23/63/1041212363.db2.gz MZPKWHUBPBAVGD-VQTJNVASSA-N 1 1 323.484 3.667 20 30 DHEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000602793633 1041215960 /nfs/dbraw/zinc/21/59/60/1041215960.db2.gz BJVHGURYYWRSKY-INIZCTEOSA-N 1 1 308.429 3.503 20 30 DHEDMO C[N@@H+](CC1(CC#N)CC1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000602808602 1041230791 /nfs/dbraw/zinc/23/07/91/1041230791.db2.gz MPQMXTRGQGEDHW-IAGOWNOFSA-N 1 1 302.393 3.671 20 30 DHEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](CC4(CC#N)CC4)CC3)c2c1 ZINC000602791230 1041242900 /nfs/dbraw/zinc/24/29/00/1041242900.db2.gz ONVINNVMDAPUSN-UHFFFAOYSA-N 1 1 321.424 3.959 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602887576 1041291150 /nfs/dbraw/zinc/29/11/50/1041291150.db2.gz OJOKJNXMXXCXJK-INIZCTEOSA-N 1 1 308.429 3.749 20 30 DHEDMO C[N@@H+](Cc1ccc(Br)cc1F)[C@H]1CC[C@@H](C#N)C1 ZINC000602926397 1041309220 /nfs/dbraw/zinc/30/92/20/1041309220.db2.gz PLQLHRJFYRFWKJ-MFKMUULPSA-N 1 1 311.198 3.712 20 30 DHEDMO C[N@H+](Cc1ccc(OCc2cccnc2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602977713 1041327477 /nfs/dbraw/zinc/32/74/77/1041327477.db2.gz GFCRSMQFINIXLK-AZUAARDMSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602977713 1041327502 /nfs/dbraw/zinc/32/75/02/1041327502.db2.gz GFCRSMQFINIXLK-AZUAARDMSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602977599 1041329040 /nfs/dbraw/zinc/32/90/40/1041329040.db2.gz DFOBRTGMIVMHFF-PXNSSMCTSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602977599 1041329048 /nfs/dbraw/zinc/32/90/48/1041329048.db2.gz DFOBRTGMIVMHFF-PXNSSMCTSA-N 1 1 321.424 3.785 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000598603128 1041345059 /nfs/dbraw/zinc/34/50/59/1041345059.db2.gz XTVLQGYGNNEXHO-YJBOKZPZSA-N 1 1 318.436 3.696 20 30 DHEDMO Cc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)cc1C ZINC000598585821 1041347024 /nfs/dbraw/zinc/34/70/24/1041347024.db2.gz AHVAWJXJWNZCEI-ZWKOTPCHSA-N 1 1 300.446 3.741 20 30 DHEDMO C[N@H+](Cc1cccc(Cl)c1Cl)C[C@H](O)CC(C)(C)C#N ZINC000598584423 1041347824 /nfs/dbraw/zinc/34/78/24/1041347824.db2.gz LVBADTPEBMLVNQ-GFCCVEGCSA-N 1 1 315.244 3.726 20 30 DHEDMO CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)CC(C)(C)C#N ZINC000598584674 1041348336 /nfs/dbraw/zinc/34/83/36/1041348336.db2.gz RHUVSEAOFNGAMI-NSHDSACASA-N 1 1 300.855 3.524 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000598587331 1041352401 /nfs/dbraw/zinc/35/24/01/1041352401.db2.gz QGTAXGKVVHTEIN-CVEARBPZSA-N 1 1 320.864 3.648 20 30 DHEDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598592099 1041352606 /nfs/dbraw/zinc/35/26/06/1041352606.db2.gz FMLBNGDISFUGRO-FUHWJXTLSA-N 1 1 300.446 3.543 20 30 DHEDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598594754 1041354105 /nfs/dbraw/zinc/35/41/05/1041354105.db2.gz JCJPNHPXXNQIJG-BMFZPTHFSA-N 1 1 304.434 3.662 20 30 DHEDMO CCc1ccc([C@@H]2CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C2)cc1 ZINC000598615947 1041361689 /nfs/dbraw/zinc/36/16/89/1041361689.db2.gz HIPHCPNBVHIIOA-MOPGFXCFSA-N 1 1 314.473 3.729 20 30 DHEDMO C[C@H](C[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C ZINC000603057062 1041361827 /nfs/dbraw/zinc/36/18/27/1041361827.db2.gz ZLTSMBCEPZDWNJ-CYBMUJFWSA-N 1 1 312.417 3.722 20 30 DHEDMO C[C@@H](C[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C ZINC000603057063 1041362638 /nfs/dbraw/zinc/36/26/38/1041362638.db2.gz ZLTSMBCEPZDWNJ-ZDUSSCGKSA-N 1 1 312.417 3.722 20 30 DHEDMO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598619497 1041362732 /nfs/dbraw/zinc/36/27/32/1041362732.db2.gz DDUYFDLMOJUUTB-RDJZCZTQSA-N 1 1 304.409 3.572 20 30 DHEDMO CC[C@H](c1ccncc1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000092224537 193176393 /nfs/dbraw/zinc/17/63/93/193176393.db2.gz UZKYPQXWLVDBNE-LJQANCHMSA-N 1 1 309.413 3.805 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)CC2CCOCC2)o1 ZINC000093342103 193235736 /nfs/dbraw/zinc/23/57/36/193235736.db2.gz PJTSNZSGGNRVGV-UHFFFAOYSA-N 1 1 310.397 3.580 20 30 DHEDMO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000563830255 335034221 /nfs/dbraw/zinc/03/42/21/335034221.db2.gz AXFSXHXZOCUQLE-JSGCOSHPSA-N 1 1 319.474 3.705 20 30 DHEDMO C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000563830255 335034222 /nfs/dbraw/zinc/03/42/22/335034222.db2.gz AXFSXHXZOCUQLE-JSGCOSHPSA-N 1 1 319.474 3.705 20 30 DHEDMO Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c(C)c1 ZINC000328640967 257263571 /nfs/dbraw/zinc/26/35/71/257263571.db2.gz XRQZOBVNXKCGFO-HKUYNNGSSA-N 1 1 323.440 3.696 20 30 DHEDMO CC(C)c1[nH+]ccn1Cc1ccc(Br)cc1C#N ZINC000286572698 131241331 /nfs/dbraw/zinc/24/13/31/131241331.db2.gz QSCGJBIHWWPERL-UHFFFAOYSA-N 1 1 304.191 3.689 20 30 DHEDMO C[C@@H](N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000287019460 131259930 /nfs/dbraw/zinc/25/99/30/131259930.db2.gz LBJUYMVISYRACE-AUUYWEPGSA-N 1 1 311.404 3.651 20 30 DHEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000289583909 131397890 /nfs/dbraw/zinc/39/78/90/131397890.db2.gz ZFBVLEFCCDIMSW-UXHICEINSA-N 1 1 324.424 3.683 20 30 DHEDMO CC[N@@H+](C[C@@H](O)c1ccccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000299092944 132088333 /nfs/dbraw/zinc/08/83/33/132088333.db2.gz UNFORIFAEVOHRP-AUUYWEPGSA-N 1 1 312.388 3.814 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc(C#N)c(C)n2)cc1F ZINC000488065245 429177181 /nfs/dbraw/zinc/17/71/81/429177181.db2.gz NNWVUIVKHZUMEC-UHFFFAOYSA-N 1 1 321.359 3.507 20 30 DHEDMO CC[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000091929295 332115143 /nfs/dbraw/zinc/11/51/43/332115143.db2.gz RBIILLYETYQUEM-MRXNPFEDSA-N 1 1 308.429 3.696 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](c2ccccc2Cl)C(C)C)C1=O ZINC000410369891 332118669 /nfs/dbraw/zinc/11/86/69/332118669.db2.gz GGUKRZBSSOOOTH-IAGOWNOFSA-N 1 1 320.864 3.756 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H](c2ccccc2Cl)C(C)C)C1=O ZINC000410369891 332118671 /nfs/dbraw/zinc/11/86/71/332118671.db2.gz GGUKRZBSSOOOTH-IAGOWNOFSA-N 1 1 320.864 3.756 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000410390796 332123190 /nfs/dbraw/zinc/12/31/90/332123190.db2.gz RRWZXPZOVNLSOD-ZQIUZPCESA-N 1 1 320.864 3.551 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000092968920 332132828 /nfs/dbraw/zinc/13/28/28/332132828.db2.gz YMXQNOPCKQYFMW-INIZCTEOSA-N 1 1 314.429 3.925 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000092593396 332134782 /nfs/dbraw/zinc/13/47/82/332134782.db2.gz MIUKSCSMMMEYCJ-KRWDZBQOSA-N 1 1 315.438 3.886 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000092593396 332134783 /nfs/dbraw/zinc/13/47/83/332134783.db2.gz MIUKSCSMMMEYCJ-KRWDZBQOSA-N 1 1 315.438 3.886 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000427007759 332164419 /nfs/dbraw/zinc/16/44/19/332164419.db2.gz IYWWBIDTAJDQDH-LJQANCHMSA-N 1 1 310.828 3.878 20 30 DHEDMO CCCCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCO ZINC000427019043 332164802 /nfs/dbraw/zinc/16/48/02/332164802.db2.gz GPIZWGULVBXBTE-UHFFFAOYSA-N 1 1 313.363 3.541 20 30 DHEDMO C=C(C)C[N@@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000181053775 332173283 /nfs/dbraw/zinc/17/32/83/332173283.db2.gz KSTHIAPRERCIIK-UHFFFAOYSA-N 1 1 303.387 3.726 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000181053775 332173284 /nfs/dbraw/zinc/17/32/84/332173284.db2.gz KSTHIAPRERCIIK-UHFFFAOYSA-N 1 1 303.387 3.726 20 30 DHEDMO C=CCC[C@@H](C(=O)NCCNc1cccc(C)[nH+]1)c1ccccc1 ZINC000427255659 332189358 /nfs/dbraw/zinc/18/93/58/332189358.db2.gz GZUWKXUIOVULMV-GOSISDBHSA-N 1 1 323.440 3.668 20 30 DHEDMO C=C(C)C[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000181286712 332190006 /nfs/dbraw/zinc/19/00/06/332190006.db2.gz QLXPKCOMFXEVIF-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000181306959 332190734 /nfs/dbraw/zinc/19/07/34/332190734.db2.gz ZWECVYMAQMUDHS-SNVBAGLBSA-N 1 1 301.217 3.828 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000181306959 332190736 /nfs/dbraw/zinc/19/07/36/332190736.db2.gz ZWECVYMAQMUDHS-SNVBAGLBSA-N 1 1 301.217 3.828 20 30 DHEDMO CO[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000363684216 332220667 /nfs/dbraw/zinc/22/06/67/332220667.db2.gz GDWXNCQHNAINHU-INIZCTEOSA-N 1 1 311.347 3.558 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000559399386 332256137 /nfs/dbraw/zinc/25/61/37/332256137.db2.gz ACXUHTHZXZNXNY-SFHVURJKSA-N 1 1 312.800 3.865 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000292897574 335097198 /nfs/dbraw/zinc/09/71/98/335097198.db2.gz ZOMWOWOIHIQFJF-DLBZAZTESA-N 1 1 305.368 3.566 20 30 DHEDMO CCCC[N@@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000108355809 332271693 /nfs/dbraw/zinc/27/16/93/332271693.db2.gz HZJZLBMHQVALGX-CQSZACIVSA-N 1 1 319.474 3.751 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000152803851 332329354 /nfs/dbraw/zinc/32/93/54/332329354.db2.gz WEPIUCYRCQHFDB-NVXWUHKLSA-N 1 1 323.358 3.558 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000152973120 332332544 /nfs/dbraw/zinc/33/25/44/332332544.db2.gz LLOHCDDCOYFGBG-AWEZNQCLSA-N 1 1 306.425 3.525 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000153024062 332339108 /nfs/dbraw/zinc/33/91/08/332339108.db2.gz KJTQULBXIDHYOQ-HNNXBMFYSA-N 1 1 319.468 3.583 20 30 DHEDMO C=C(C)[C@H]([NH2+]CC(=O)N1CCCCCC1)c1ccc(F)c(F)c1 ZINC000187764112 332343807 /nfs/dbraw/zinc/34/38/07/332343807.db2.gz PDTBPYATQCMPTG-SFHVURJKSA-N 1 1 322.399 3.574 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@H]1CCCN(C(C)C)C1=O)c1ccc(F)c(F)c1 ZINC000187766863 332356035 /nfs/dbraw/zinc/35/60/35/332356035.db2.gz LBKCTXQKXWPFND-DLBZAZTESA-N 1 1 322.399 3.571 20 30 DHEDMO C=CCCC[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000560854142 332390714 /nfs/dbraw/zinc/39/07/14/332390714.db2.gz BDZLGKMEPVNEAE-ZDUSSCGKSA-N 1 1 300.324 3.520 20 30 DHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N(C(C)C)C(C)C)c1ccc(F)c(F)c1 ZINC000187780668 332440746 /nfs/dbraw/zinc/44/07/46/332440746.db2.gz NUQXMBOVLJMBAP-GOSISDBHSA-N 1 1 324.415 3.817 20 30 DHEDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1[N+](=O)[O-] ZINC000151145454 332538374 /nfs/dbraw/zinc/53/83/74/332538374.db2.gz LSJCGXIDYCQANH-GFCCVEGCSA-N 1 1 313.332 3.765 20 30 DHEDMO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1nc(-c2cccc(F)c2)no1 ZINC000248825622 332641832 /nfs/dbraw/zinc/64/18/32/332641832.db2.gz GCUZCRAFHVILKX-ZOWXZIJZSA-N 1 1 314.364 3.609 20 30 DHEDMO CCCCN1C(=O)C2(CCCCC2)[NH2+]C12CCC(C)(C#N)CC2 ZINC000580168044 332979368 /nfs/dbraw/zinc/97/93/68/332979368.db2.gz DRYCBQRRHLOIBR-UHFFFAOYSA-N 1 1 317.477 3.721 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000466246010 333008252 /nfs/dbraw/zinc/00/82/52/333008252.db2.gz IYIWFKCVMHLRAJ-RCCFBDPRSA-N 1 1 314.473 3.710 20 30 DHEDMO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000580343647 335116417 /nfs/dbraw/zinc/11/64/17/335116417.db2.gz UGAVNVHWKMFVDS-ZRGWGRIASA-N 1 1 323.440 3.687 20 30 DHEDMO CCC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CC1 ZINC000174846662 333091929 /nfs/dbraw/zinc/09/19/29/333091929.db2.gz YSUJPDZJCSEWLF-UHFFFAOYSA-N 1 1 309.413 3.612 20 30 DHEDMO CN(c1ccc(F)cc1C#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388194291 333218198 /nfs/dbraw/zinc/21/81/98/333218198.db2.gz QDTRRIYDPDTMGQ-IBGZPJMESA-N 1 1 323.415 3.798 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000364061157 333229507 /nfs/dbraw/zinc/22/95/07/333229507.db2.gz BLPXKKJFMAXSPE-LNLFQRSKSA-N 1 1 314.473 3.616 20 30 DHEDMO CC(C)[C@H](CC[N@@H+](C)[C@@H]1CC[C@H](C#N)C1)NC(=O)OC(C)(C)C ZINC000497309550 333234716 /nfs/dbraw/zinc/23/47/16/333234716.db2.gz AVAYMUCJQXQUCO-XHSDSOJGSA-N 1 1 323.481 3.550 20 30 DHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000318980989 333238224 /nfs/dbraw/zinc/23/82/24/333238224.db2.gz IMUVUVKEBIYUFJ-CQSZACIVSA-N 1 1 312.335 3.600 20 30 DHEDMO CCCCCCC[N@@H+](C)C1CCN(Cc2cc(C)no2)CC1 ZINC000364188464 333269769 /nfs/dbraw/zinc/26/97/69/333269769.db2.gz FGOOMHAHLIVQDF-UHFFFAOYSA-N 1 1 307.482 3.850 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000364338203 333291055 /nfs/dbraw/zinc/29/10/55/333291055.db2.gz OTMBUVCKWNJYEU-HXUWFJFHSA-N 1 1 304.393 3.580 20 30 DHEDMO CC[N@@H+](Cc1ccc(OCc2ccncc2)cc1)C[C@@H](C)C#N ZINC000194918449 333317466 /nfs/dbraw/zinc/31/74/66/333317466.db2.gz FZECIEOYCCZHOO-INIZCTEOSA-N 1 1 309.413 3.642 20 30 DHEDMO CC[N@H+](Cc1ccc(OCc2ccncc2)cc1)C[C@@H](C)C#N ZINC000194918449 333317468 /nfs/dbraw/zinc/31/74/68/333317468.db2.gz FZECIEOYCCZHOO-INIZCTEOSA-N 1 1 309.413 3.642 20 30 DHEDMO COc1cccc(-c2c[nH]c([C@@H]3CCC[N@H+]3CCCCC#N)n2)c1 ZINC000364892632 333332780 /nfs/dbraw/zinc/33/27/80/333332780.db2.gz LHGXXRJYAQCPBQ-SFHVURJKSA-N 1 1 324.428 3.916 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000188471575 333367745 /nfs/dbraw/zinc/36/77/45/333367745.db2.gz MJCPWTXLHDZCGS-YLJYHZDGSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CC[N@H+](CCOCC(F)(F)C(F)F)Cc1ccccc1 ZINC000188618837 333380561 /nfs/dbraw/zinc/38/05/61/333380561.db2.gz NQBIIZNHEZFVHV-UHFFFAOYSA-N 1 1 305.315 3.592 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(F)c(F)c1 ZINC000186451828 335158109 /nfs/dbraw/zinc/15/81/09/335158109.db2.gz CZNLRKXSLTVFQA-FUHWJXTLSA-N 1 1 317.383 3.983 20 30 DHEDMO C[C@@H](c1cccc(NCC(C)(C)CCC#N)c1)[NH+]1CCOCC1 ZINC000269315891 334000100 /nfs/dbraw/zinc/00/01/00/334000100.db2.gz MABMZFBVEUROOH-INIZCTEOSA-N 1 1 315.461 3.822 20 30 DHEDMO CC(C)[C@H](C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000271051863 334017568 /nfs/dbraw/zinc/01/75/68/334017568.db2.gz PYXAUDNMLXWISU-INIZCTEOSA-N 1 1 310.445 3.940 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000272023550 334029721 /nfs/dbraw/zinc/02/97/21/334029721.db2.gz NMVINFDNWGMEPU-HZPDHXFCSA-N 1 1 304.434 3.888 20 30 DHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C)(C#N)CC1 ZINC000272494817 334035419 /nfs/dbraw/zinc/03/54/19/334035419.db2.gz FUUMFXSXWJXIDK-UHFFFAOYSA-N 1 1 313.489 3.770 20 30 DHEDMO CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C)(C#N)CC1 ZINC000272494817 334035422 /nfs/dbraw/zinc/03/54/22/334035422.db2.gz FUUMFXSXWJXIDK-UHFFFAOYSA-N 1 1 313.489 3.770 20 30 DHEDMO N#CCCC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000273098836 334043094 /nfs/dbraw/zinc/04/30/94/334043094.db2.gz VGNGYPMLRSBLPY-UHFFFAOYSA-N 1 1 321.833 3.769 20 30 DHEDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343530763 335175278 /nfs/dbraw/zinc/17/52/78/335175278.db2.gz DCIOVNKCIOGHMP-OXJNMPFZSA-N 1 1 306.409 3.715 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000280485699 334117930 /nfs/dbraw/zinc/11/79/30/334117930.db2.gz LTKJIOMIQDOZBF-AWEZNQCLSA-N 1 1 301.821 3.963 20 30 DHEDMO C[N@@H+](CCCOc1cccc(Cl)c1)CCCSCC#N ZINC000074982037 334126606 /nfs/dbraw/zinc/12/66/06/334126606.db2.gz ORRHDCNKEHZROT-UHFFFAOYSA-N 1 1 312.866 3.688 20 30 DHEDMO C[N@@H+](CCCc1ccccc1)CCCC1(C#N)CCOCC1 ZINC000281938302 334129719 /nfs/dbraw/zinc/12/97/19/334129719.db2.gz IOTXUQSZBVPLON-UHFFFAOYSA-N 1 1 300.446 3.652 20 30 DHEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1c(F)cccc1F ZINC000282019748 334130590 /nfs/dbraw/zinc/13/05/90/334130590.db2.gz PCBDLQOAGMOIHV-UHFFFAOYSA-N 1 1 322.399 3.887 20 30 DHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1cccc(Cl)c1 ZINC000282065707 334130923 /nfs/dbraw/zinc/13/09/23/334130923.db2.gz SJYRHUWORWVLPY-UHFFFAOYSA-N 1 1 306.837 3.872 20 30 DHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)CCc1ccc(Cl)cc1 ZINC000282124085 334131539 /nfs/dbraw/zinc/13/15/39/334131539.db2.gz YAAHNXRQZYJZBW-UHFFFAOYSA-N 1 1 320.864 3.915 20 30 DHEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1nc(-c2cccs2)no1 ZINC000285251949 334146453 /nfs/dbraw/zinc/14/64/53/334146453.db2.gz HGLHUHOYWWDAKZ-UHFFFAOYSA-N 1 1 304.419 3.560 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 ZINC000286208221 334151950 /nfs/dbraw/zinc/15/19/50/334151950.db2.gz YFQQTVDJYWJUIG-NJYVYQBISA-N 1 1 318.420 3.563 20 30 DHEDMO N#CCCCNc1cc(NCCCC#N)[nH+]c(-c2ccccc2)n1 ZINC000286755870 334154276 /nfs/dbraw/zinc/15/42/76/334154276.db2.gz HEDUWFPYHAIDRK-UHFFFAOYSA-N 1 1 320.400 3.575 20 30 DHEDMO COc1cc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c(F)cn1 ZINC000287902754 334158754 /nfs/dbraw/zinc/15/87/54/334158754.db2.gz ZSNIPXPSCHPLFD-CXAGYDPISA-N 1 1 313.376 3.925 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000289266681 334164113 /nfs/dbraw/zinc/16/41/13/334164113.db2.gz GAWAZZFKHDPOKR-CEXWTWQISA-N 1 1 312.457 3.821 20 30 DHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)C3(C#N)CCCCC3)cc2)c1C ZINC000291179183 334177219 /nfs/dbraw/zinc/17/72/19/334177219.db2.gz KSRQQXYNMGPFHL-UHFFFAOYSA-N 1 1 322.412 3.902 20 30 DHEDMO CC1(C#N)CC[NH+](Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000293741229 334201720 /nfs/dbraw/zinc/20/17/20/334201720.db2.gz XGKQFIJXJYRYBA-UHFFFAOYSA-N 1 1 313.426 3.951 20 30 DHEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000297933667 334245038 /nfs/dbraw/zinc/24/50/38/334245038.db2.gz RJFSFICBQSEJIM-FUHWJXTLSA-N 1 1 317.864 3.540 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000297962748 334245223 /nfs/dbraw/zinc/24/52/23/334245223.db2.gz UOXZEMPPWMLHTO-OAHLLOKOSA-N 1 1 305.853 3.540 20 30 DHEDMO C[C@H](CCC#N)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000298704511 334250663 /nfs/dbraw/zinc/25/06/63/334250663.db2.gz TXJFEPRZEYCVET-HOJAQTOUSA-N 1 1 311.473 3.665 20 30 DHEDMO COc1cc([C@H](C)[NH2+]CCC#N)ccc1OCc1ccccc1 ZINC000299728305 334257546 /nfs/dbraw/zinc/25/75/46/334257546.db2.gz VSIJYSRLHUGLLZ-HNNXBMFYSA-N 1 1 310.397 3.838 20 30 DHEDMO CC(C)[N@@H+](CCOc1ccc(C#N)cc1)Cc1cccs1 ZINC000049028808 334309265 /nfs/dbraw/zinc/30/92/65/334309265.db2.gz UZGBWPKONPEMMT-UHFFFAOYSA-N 1 1 300.427 3.909 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000121108314 334341171 /nfs/dbraw/zinc/34/11/71/334341171.db2.gz NOVXLROJSARBRK-MRXNPFEDSA-N 1 1 315.461 3.512 20 30 DHEDMO C=CCCC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000121119701 334341236 /nfs/dbraw/zinc/34/12/36/334341236.db2.gz HFXWZEQPHROQDE-UHFFFAOYSA-N 1 1 315.373 3.690 20 30 DHEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000121309526 334343777 /nfs/dbraw/zinc/34/37/77/334343777.db2.gz IXJPEEFQJCGQER-MRXNPFEDSA-N 1 1 308.425 3.722 20 30 DHEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000121309526 334343778 /nfs/dbraw/zinc/34/37/78/334343778.db2.gz IXJPEEFQJCGQER-MRXNPFEDSA-N 1 1 308.425 3.722 20 30 DHEDMO C=C(C)COc1cc(C[N@H+](CCC#N)C(C)C)ccc1OC ZINC000535077721 334365085 /nfs/dbraw/zinc/36/50/85/334365085.db2.gz ZNZBJKHCTPKCJX-UHFFFAOYSA-N 1 1 302.418 3.774 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](CCC#N)C(C)C)ccc1OC ZINC000535077721 334365086 /nfs/dbraw/zinc/36/50/86/334365086.db2.gz ZNZBJKHCTPKCJX-UHFFFAOYSA-N 1 1 302.418 3.774 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1cncc(OC)c1)c1ccc(F)c(F)c1 ZINC000343872175 335198911 /nfs/dbraw/zinc/19/89/11/335198911.db2.gz YOMUZILHIGFEGL-KRWDZBQOSA-N 1 1 304.340 3.775 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2ccc(F)cn2)cc1Cl ZINC000344921453 335289161 /nfs/dbraw/zinc/28/91/61/335289161.db2.gz PYVDEKDMIHUGSJ-UHFFFAOYSA-N 1 1 306.768 3.729 20 30 DHEDMO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CCC(C)(C)C#N)cn1 ZINC000345709821 335349396 /nfs/dbraw/zinc/34/93/96/335349396.db2.gz KIISOOSHFYWBLK-QGZVFWFLSA-N 1 1 314.408 3.520 20 30 DHEDMO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CCC(C)(C)C#N)cn1 ZINC000345709821 335349397 /nfs/dbraw/zinc/34/93/97/335349397.db2.gz KIISOOSHFYWBLK-QGZVFWFLSA-N 1 1 314.408 3.520 20 30 DHEDMO C[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccc(C#N)c(F)c1 ZINC000346191224 335388130 /nfs/dbraw/zinc/38/81/30/335388130.db2.gz MKYDVTGEAZKEED-AWEZNQCLSA-N 1 1 320.371 3.734 20 30 DHEDMO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)o1 ZINC000349818424 335703024 /nfs/dbraw/zinc/70/30/24/335703024.db2.gz IZMXAPDAFQNEDG-YJBOKZPZSA-N 1 1 321.424 3.597 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2cc(C#N)n(C)c2)C(C)(C)C)cc1 ZINC000520660154 336002864 /nfs/dbraw/zinc/00/28/64/336002864.db2.gz HBIIYTRNOROQOR-UHFFFAOYSA-N 1 1 311.429 3.706 20 30 DHEDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1csc(-c2ccccn2)n1 ZINC000329658941 336029330 /nfs/dbraw/zinc/02/93/30/336029330.db2.gz HLYJRAQQQWQSKP-RYUDHWBXSA-N 1 1 316.430 3.666 20 30 DHEDMO O=C(NC[C@H](O)C1CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000330030502 336107601 /nfs/dbraw/zinc/10/76/01/336107601.db2.gz RSQQAYMCBOZXLY-AEFFLSMTSA-N 1 1 322.493 3.539 20 30 DHEDMO CC(C)(C)C1CCC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330233212 336127822 /nfs/dbraw/zinc/12/78/22/336127822.db2.gz RZQBJBZLYLMSOY-RCDNUKIMSA-N 1 1 322.493 3.537 20 30 DHEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC000330295148 336136505 /nfs/dbraw/zinc/13/65/05/336136505.db2.gz JDQBFPGQFLHNJF-AWEZNQCLSA-N 1 1 319.449 3.615 20 30 DHEDMO COc1ccc(C[N@H+](C)Cc2ccoc2)cc1OCCCC#N ZINC000352652263 336228978 /nfs/dbraw/zinc/22/89/78/336228978.db2.gz MSEGCSOJYQVHHS-UHFFFAOYSA-N 1 1 314.385 3.603 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccoc2)cc1OCCCC#N ZINC000352652263 336228979 /nfs/dbraw/zinc/22/89/79/336228979.db2.gz MSEGCSOJYQVHHS-UHFFFAOYSA-N 1 1 314.385 3.603 20 30 DHEDMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000042298944 336238689 /nfs/dbraw/zinc/23/86/89/336238689.db2.gz ABGJYOADEFVCNH-UHFFFAOYSA-N 1 1 306.818 3.784 20 30 DHEDMO Cc1cc(F)ccc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000532501990 336252428 /nfs/dbraw/zinc/25/24/28/336252428.db2.gz YYDWQKNGWNQIBH-FQEVSTJZSA-N 1 1 323.415 3.517 20 30 DHEDMO CCC(CC)[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000532528700 336253672 /nfs/dbraw/zinc/25/36/72/336253672.db2.gz YOIOZXLHSMVMHG-UHFFFAOYSA-N 1 1 319.836 3.803 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@](C)(c3ccccc3)C2)cc1C#N ZINC000532745085 336269244 /nfs/dbraw/zinc/26/92/44/336269244.db2.gz HTMXBSBNTPVUFF-FQEVSTJZSA-N 1 1 306.409 3.730 20 30 DHEDMO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000352868255 336283988 /nfs/dbraw/zinc/28/39/88/336283988.db2.gz CPLUZNOHTCMNMS-UHFFFAOYSA-N 1 1 311.332 3.632 20 30 DHEDMO C[C@H](CNc1cccc(F)c1C#N)[N@H+]1CCc2ccccc2C1 ZINC000301094240 336289653 /nfs/dbraw/zinc/28/96/53/336289653.db2.gz NVKIXBYEBHRTFQ-CQSZACIVSA-N 1 1 309.388 3.556 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc(Cl)c(C#N)n2)C1 ZINC000301160217 336292666 /nfs/dbraw/zinc/29/26/66/336292666.db2.gz DRXTWKLVXGMUMR-OKILXGFUSA-N 1 1 320.868 3.777 20 30 DHEDMO CC(C)[N@@H+](C)CCNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000301575143 336316060 /nfs/dbraw/zinc/31/60/60/336316060.db2.gz SGXNKMHCDATACG-UHFFFAOYSA-N 1 1 302.809 3.512 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000302036025 336344541 /nfs/dbraw/zinc/34/45/41/336344541.db2.gz JXUJTEIKDASXHX-HZPDHXFCSA-N 1 1 315.436 3.788 20 30 DHEDMO Cc1ccc(CNc2cccc(F)c2C#N)c(N2CCCC2)[nH+]1 ZINC000302064795 336346435 /nfs/dbraw/zinc/34/64/35/336346435.db2.gz VMTLXWDHVHDJEN-UHFFFAOYSA-N 1 1 310.376 3.613 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(CNc2cc(C#N)ccc2[N+](=O)[O-])c1 ZINC000302204926 336353831 /nfs/dbraw/zinc/35/38/31/336353831.db2.gz JPLJVMSNCOCJHQ-UHFFFAOYSA-N 1 1 324.384 3.530 20 30 DHEDMO Cc1ccc(C#N)c(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)n1 ZINC000302451105 336359080 /nfs/dbraw/zinc/35/90/80/336359080.db2.gz NMSTYRGAVTYYJT-IBGZPJMESA-N 1 1 320.440 3.584 20 30 DHEDMO C[NH+](C)[C@H](CNc1c(C#N)cccc1C#N)c1ccccc1Cl ZINC000302787395 336369113 /nfs/dbraw/zinc/36/91/13/336369113.db2.gz WULQMJZIRTUWMD-QGZVFWFLSA-N 1 1 324.815 3.798 20 30 DHEDMO N#Cc1cccc(C#N)c1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000302819460 336370386 /nfs/dbraw/zinc/37/03/86/336370386.db2.gz CQKPLYVURONIKW-IBGZPJMESA-N 1 1 316.408 3.506 20 30 DHEDMO C[C@H]1C[C@H](Nc2c(C#N)cccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000302898413 336373726 /nfs/dbraw/zinc/37/37/26/336373726.db2.gz RTCGRLZDLMZRRC-KXBFYZLASA-N 1 1 316.408 3.505 20 30 DHEDMO C=C(C)C[N@H+](CCCc1ccncc1)Cc1cnn(C(C)C)c1 ZINC000352899752 336375204 /nfs/dbraw/zinc/37/52/04/336375204.db2.gz DIUUUYCKYXSKRS-UHFFFAOYSA-N 1 1 312.461 3.870 20 30 DHEDMO C=C(C)CN(CC[C@H]1CCCC[N@H+]1C)Cc1cnn(C(C)C)c1 ZINC000352904970 336375614 /nfs/dbraw/zinc/37/56/14/336375614.db2.gz WOCMMPCOTWIDKN-LJQANCHMSA-N 1 1 318.509 3.717 20 30 DHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(CO)cc1 ZINC000352915506 336376923 /nfs/dbraw/zinc/37/69/23/336376923.db2.gz PEMINGROCBIYOL-UHFFFAOYSA-N 1 1 313.445 3.535 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](O)CC1CCCC1 ZINC000352922343 336377301 /nfs/dbraw/zinc/37/73/01/336377301.db2.gz QJCIWLAQDHBACA-LJQANCHMSA-N 1 1 319.493 3.783 20 30 DHEDMO CCCOc1ncccc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358561287 336634563 /nfs/dbraw/zinc/63/45/63/336634563.db2.gz GFBMQMHCHCHBKN-CYBMUJFWSA-N 1 1 313.376 3.732 20 30 DHEDMO CCCCCCCC(=O)N1CCC[C@H]1Cn1cc[nH+]c1CC ZINC000371126668 336894937 /nfs/dbraw/zinc/89/49/37/336894937.db2.gz GLRYISHYWYYOPB-INIZCTEOSA-N 1 1 305.466 3.797 20 30 DHEDMO COc1cc(C#N)ccc1C[NH+]1CCC(=Cc2cc(C)on2)CC1 ZINC000371415425 336903306 /nfs/dbraw/zinc/90/33/06/336903306.db2.gz CGIPWHYWDWSHCE-UHFFFAOYSA-N 1 1 323.396 3.543 20 30 DHEDMO C=CCCCCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000373508448 336962901 /nfs/dbraw/zinc/96/29/01/336962901.db2.gz ZSYKMNGAFVDPIO-INIZCTEOSA-N 1 1 318.465 3.537 20 30 DHEDMO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](Cc2ccc(C(F)F)cc2)C1 ZINC000375155379 337004620 /nfs/dbraw/zinc/00/46/20/337004620.db2.gz XZSAOPIJHQOGFS-CVEARBPZSA-N 1 1 317.383 3.932 20 30 DHEDMO C[C@]1(O)CCCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000375522871 337012745 /nfs/dbraw/zinc/01/27/45/337012745.db2.gz IZVWIYNHOXDFDC-ULQDDVLXSA-N 1 1 304.459 3.525 20 30 DHEDMO N#CC1(CCC[N@@H+]2CC=C(c3cccs3)CC2)CCOCC1 ZINC000375594579 337014109 /nfs/dbraw/zinc/01/41/09/337014109.db2.gz DMQLSYVWOPEZEE-UHFFFAOYSA-N 1 1 316.470 3.938 20 30 DHEDMO C[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1c(F)cncc1F ZINC000376107267 337027229 /nfs/dbraw/zinc/02/72/29/337027229.db2.gz RCOJAZYUIYDRML-DTVQEZCTSA-N 1 1 313.351 3.634 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2cc(C#N)cc(C)n2)cc1 ZINC000376450796 337033717 /nfs/dbraw/zinc/03/37/17/337033717.db2.gz RRFZQGGOBIQOCQ-AWEZNQCLSA-N 1 1 317.396 3.929 20 30 DHEDMO C[C@H](c1ccccc1F)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376594143 337037553 /nfs/dbraw/zinc/03/75/53/337037553.db2.gz CPZMMLAVCLQVRO-OAHLLOKOSA-N 1 1 309.388 3.839 20 30 DHEDMO CCCCCCCCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000377688683 337058533 /nfs/dbraw/zinc/05/85/33/337058533.db2.gz AOTIHPYMSGETET-INIZCTEOSA-N 1 1 305.466 3.621 20 30 DHEDMO C[N@H+]1CCC[C@@H](CNc2cnccc2C#N)[C@H]1c1cccs1 ZINC000378374659 337071237 /nfs/dbraw/zinc/07/12/37/337071237.db2.gz YTMVIJZDIXOQHV-YOEHRIQHSA-N 1 1 312.442 3.510 20 30 DHEDMO Cc1[nH+]c(CNc2c(Cl)cccc2C#N)c2n1CCCC2 ZINC000378397592 337071792 /nfs/dbraw/zinc/07/17/92/337071792.db2.gz BNLODVUTRLHPEK-UHFFFAOYSA-N 1 1 300.793 3.665 20 30 DHEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176129517 337150347 /nfs/dbraw/zinc/15/03/47/337150347.db2.gz DGHOPYOZSOBINT-WMZOPIPTSA-N 1 1 300.446 3.512 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@@H]2C(C)C)c(C#N)c1C ZINC000177193974 337154662 /nfs/dbraw/zinc/15/46/62/337154662.db2.gz OZJZBFLEFPNRLG-OAHLLOKOSA-N 1 1 319.474 3.686 20 30 DHEDMO C=CCCCC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000177545523 337156434 /nfs/dbraw/zinc/15/64/34/337156434.db2.gz KIMDZKRGTIPSRX-IYBDPMFKSA-N 1 1 316.445 3.591 20 30 DHEDMO C=CCCCC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000177545523 337156435 /nfs/dbraw/zinc/15/64/35/337156435.db2.gz KIMDZKRGTIPSRX-IYBDPMFKSA-N 1 1 316.445 3.591 20 30 DHEDMO C=CC[NH+]1CCC(N[C@H](C)c2ccccc2OC(F)F)CC1 ZINC000177908008 337158840 /nfs/dbraw/zinc/15/88/40/337158840.db2.gz BIDMZCGLIOLRDA-CYBMUJFWSA-N 1 1 310.388 3.589 20 30 DHEDMO C=CC[NH+]1CCC(N[C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000177906264 337159070 /nfs/dbraw/zinc/15/90/70/337159070.db2.gz ZZMYYSTUAMSSIN-QGZVFWFLSA-N 1 1 320.864 3.794 20 30 DHEDMO Cn1cc(C[N@H+]2CCCC(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000179944179 337172716 /nfs/dbraw/zinc/17/27/16/337172716.db2.gz XLMMOOFZJZDAMF-UHFFFAOYSA-N 1 1 308.429 3.581 20 30 DHEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ncc(C#N)cc1Cl ZINC000180346500 337173815 /nfs/dbraw/zinc/17/38/15/337173815.db2.gz BCQCEUSJBRKSBO-CYBMUJFWSA-N 1 1 314.820 3.539 20 30 DHEDMO Cn1cc(C[N@H+]2CCC3(CCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180139370 337175015 /nfs/dbraw/zinc/17/50/15/337175015.db2.gz WMUAGXWBYZQAIU-UHFFFAOYSA-N 1 1 320.440 3.725 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000181047703 337179507 /nfs/dbraw/zinc/17/95/07/337179507.db2.gz XUHIHYFBSRQFOM-UHFFFAOYSA-N 1 1 312.413 3.677 20 30 DHEDMO CO[C@H](C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000182282178 337187854 /nfs/dbraw/zinc/18/78/54/337187854.db2.gz FHTJKWLIRLYHAY-OAHLLOKOSA-N 1 1 312.388 3.734 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1-n1cccn1 ZINC000183169808 337190115 /nfs/dbraw/zinc/19/01/15/337190115.db2.gz KTPUBMGQSVUAIH-CQSZACIVSA-N 1 1 320.371 3.734 20 30 DHEDMO CCOc1cc(C[NH2+][C@@H](CC)CC#N)ccc1OCC(C)C ZINC000184097802 337196086 /nfs/dbraw/zinc/19/60/86/337196086.db2.gz UMJVPVPCXXLFBA-INIZCTEOSA-N 1 1 304.434 3.902 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCCC#N ZINC000185937312 337251752 /nfs/dbraw/zinc/25/17/52/337251752.db2.gz VIFLXGGSXLEZRP-PMPSAXMXSA-N 1 1 306.450 3.655 20 30 DHEDMO CC#CCCCC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000185985836 337253665 /nfs/dbraw/zinc/25/36/65/337253665.db2.gz HKDZXXVEGIQJHX-HNNXBMFYSA-N 1 1 309.413 3.552 20 30 DHEDMO COc1cccc(Cl)c1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000514144118 337255994 /nfs/dbraw/zinc/25/59/94/337255994.db2.gz BYWDBAQJQORASZ-UHFFFAOYSA-N 1 1 312.800 3.999 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1cc(C(N)=O)cs1)c1ccc(F)c(F)c1 ZINC000187372132 337265173 /nfs/dbraw/zinc/26/51/73/337265173.db2.gz HKKREYKWYIOGGE-OAHLLOKOSA-N 1 1 322.380 3.532 20 30 DHEDMO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000191106487 337294091 /nfs/dbraw/zinc/29/40/91/337294091.db2.gz HGBCYEIRDMPCEC-INIZCTEOSA-N 1 1 318.461 3.580 20 30 DHEDMO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000191106487 337294092 /nfs/dbraw/zinc/29/40/92/337294092.db2.gz HGBCYEIRDMPCEC-INIZCTEOSA-N 1 1 318.461 3.580 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1F ZINC000191888804 337300955 /nfs/dbraw/zinc/30/09/55/337300955.db2.gz UVIUVEAXZHSQJR-UHFFFAOYSA-N 1 1 322.383 3.792 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)cc1F ZINC000191963827 337301514 /nfs/dbraw/zinc/30/15/14/337301514.db2.gz CVGLDSUBPHZDSE-UHFFFAOYSA-N 1 1 310.372 3.741 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H](CN2CCCC2)c2ccccc2)cc1F ZINC000192150349 337303383 /nfs/dbraw/zinc/30/33/83/337303383.db2.gz HFQBDHJTLVAEJS-FQEVSTJZSA-N 1 1 323.415 3.624 20 30 DHEDMO Cc1cnc([C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C2CC2)s1 ZINC000192178122 337303696 /nfs/dbraw/zinc/30/36/96/337303696.db2.gz XSIUZLKYOOAIEW-OAHLLOKOSA-N 1 1 301.390 3.703 20 30 DHEDMO C=CCCCCC[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000193372930 337310325 /nfs/dbraw/zinc/31/03/25/337310325.db2.gz GQCWQCQRQHZDQF-UHFFFAOYSA-N 1 1 315.505 3.767 20 30 DHEDMO N#CCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000399362492 337315875 /nfs/dbraw/zinc/31/58/75/337315875.db2.gz QQGBVVBFDXTRGC-UHFFFAOYSA-N 1 1 307.781 3.764 20 30 DHEDMO C=C(C)CN1CCC([NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000583841993 337340607 /nfs/dbraw/zinc/34/06/07/337340607.db2.gz WTBMBQCQWXGAHJ-UHFFFAOYSA-N 1 1 318.408 3.897 20 30 DHEDMO C[N@@H+](CCCCC#N)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000108375133 337387954 /nfs/dbraw/zinc/38/79/54/337387954.db2.gz CFCJHPDTHDYMQY-UHFFFAOYSA-N 1 1 314.408 3.774 20 30 DHEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CC(=O)Nc1cccc(C#N)c1 ZINC000532934932 337393882 /nfs/dbraw/zinc/39/38/82/337393882.db2.gz KQXGJHNXXKUNMT-IBGZPJMESA-N 1 1 321.424 3.970 20 30 DHEDMO C[N@@H+](Cc1nc(C#N)cs1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000516357663 338010632 /nfs/dbraw/zinc/01/06/32/338010632.db2.gz DJCMNOJJVDFQBW-JGZJWPJOSA-N 1 1 303.353 3.568 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OCC)c(OC)c1 ZINC000426547147 338034368 /nfs/dbraw/zinc/03/43/68/338034368.db2.gz YRGXPEPQRZYUJN-HNNXBMFYSA-N 1 1 305.418 3.643 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OCC)c(OC)c1 ZINC000426547148 338034454 /nfs/dbraw/zinc/03/44/54/338034454.db2.gz YRGXPEPQRZYUJN-OAHLLOKOSA-N 1 1 305.418 3.643 20 30 DHEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)[C@H]1CC1(C)C ZINC000426542248 338034482 /nfs/dbraw/zinc/03/44/82/338034482.db2.gz DOFWNKBGFOVKPO-KRWDZBQOSA-N 1 1 308.429 3.694 20 30 DHEDMO CC#CCC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428778971 338060871 /nfs/dbraw/zinc/06/08/71/338060871.db2.gz DHDUZESZMHEXNO-CZUORRHYSA-N 1 1 311.347 3.881 20 30 DHEDMO CC#CCC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428778971 338060872 /nfs/dbraw/zinc/06/08/72/338060872.db2.gz DHDUZESZMHEXNO-CZUORRHYSA-N 1 1 311.347 3.881 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000428782439 338061052 /nfs/dbraw/zinc/06/10/52/338061052.db2.gz UIZZSFWZBKISKA-VQIMIIECSA-N 1 1 301.430 3.548 20 30 DHEDMO CC(C)(CO)[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccs1 ZINC000428971374 338067281 /nfs/dbraw/zinc/06/72/81/338067281.db2.gz DATOSCNJTKWAEQ-MRXNPFEDSA-N 1 1 318.417 3.608 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429245696 338074587 /nfs/dbraw/zinc/07/45/87/338074587.db2.gz LBABXKFMSSOKQI-CVEARBPZSA-N 1 1 323.415 3.969 20 30 DHEDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2Br)C1 ZINC000429577332 338084851 /nfs/dbraw/zinc/08/48/51/338084851.db2.gz FOCPHBLACRITSI-RISCZKNCSA-N 1 1 307.235 3.941 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)Cc1nc(-c2ccccc2)oc1C ZINC000429701465 338087801 /nfs/dbraw/zinc/08/78/01/338087801.db2.gz LEQPTGVSOQERER-UHFFFAOYSA-N 1 1 313.445 3.590 20 30 DHEDMO C=CCC(C)(C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000429932123 338092375 /nfs/dbraw/zinc/09/23/75/338092375.db2.gz ZEHAEYJBWXWDPM-OAHLLOKOSA-N 1 1 308.853 3.661 20 30 DHEDMO C[C@@]12CC[N@@H+](Cc3cccc(OCCCC#N)c3)C[C@@H]1C2(F)F ZINC000430093706 338096075 /nfs/dbraw/zinc/09/60/75/338096075.db2.gz GZAZUIBBWMSPCL-DLBZAZTESA-N 1 1 320.383 3.846 20 30 DHEDMO C[C@@H](CC1CCOCC1)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000430123906 338098048 /nfs/dbraw/zinc/09/80/48/338098048.db2.gz MTLMMIBUYFMSHE-DBVUQKKJSA-N 1 1 312.457 3.678 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000430770171 338114505 /nfs/dbraw/zinc/11/45/05/338114505.db2.gz OMBNNVFNGWMWJO-UHFFFAOYSA-N 1 1 304.434 3.949 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000430770171 338114506 /nfs/dbraw/zinc/11/45/06/338114506.db2.gz OMBNNVFNGWMWJO-UHFFFAOYSA-N 1 1 304.434 3.949 20 30 DHEDMO C=CCN(CCc1ccccc1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431782794 338138720 /nfs/dbraw/zinc/13/87/20/338138720.db2.gz FSRTYCXFSBUINA-IBGZPJMESA-N 1 1 314.473 3.508 20 30 DHEDMO Cc1ccc(C[N@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)o1 ZINC000448523192 338151924 /nfs/dbraw/zinc/15/19/24/338151924.db2.gz XVIZJZKAXATWCD-UHFFFAOYSA-N 1 1 323.314 3.970 20 30 DHEDMO Cc1ccc(C[N@@H+](C)CC#Cc2ccc(OC(F)(F)F)cc2)o1 ZINC000448523192 338151925 /nfs/dbraw/zinc/15/19/25/338151925.db2.gz XVIZJZKAXATWCD-UHFFFAOYSA-N 1 1 323.314 3.970 20 30 DHEDMO CC(C)(C)n1ncnc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433016473 338176408 /nfs/dbraw/zinc/17/64/08/338176408.db2.gz QZTNKJKISHFJQH-MRXNPFEDSA-N 1 1 311.433 3.558 20 30 DHEDMO C=CCc1cc(C[N@H+]2CC3(CCC3)C[C@H]2C)cc(OC)c1O ZINC000433020042 338176558 /nfs/dbraw/zinc/17/65/58/338176558.db2.gz AXJYWEYVLCGZPJ-CQSZACIVSA-N 1 1 301.430 3.894 20 30 DHEDMO COCC[N@@H+](CC#Cc1ccccc1Cl)[C@@H]1CCCSC1 ZINC000433186395 338184791 /nfs/dbraw/zinc/18/47/91/338184791.db2.gz JFRORMCJAQVKND-MRXNPFEDSA-N 1 1 323.889 3.536 20 30 DHEDMO C=CCC[C@@H](NC(=O)NCC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC000435095957 338232071 /nfs/dbraw/zinc/23/20/71/338232071.db2.gz KAENSUDTZXOXDK-FUHWJXTLSA-N 1 1 317.477 3.723 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccc(C#N)cc1 ZINC000435137449 338233201 /nfs/dbraw/zinc/23/32/01/338233201.db2.gz MBMJHIODBVGWCD-UHFFFAOYSA-N 1 1 320.396 3.952 20 30 DHEDMO N#Cc1ccc2ncc(C[N@@H+](Cc3ccc(F)cc3)C3CC3)n2c1 ZINC000155236923 338257068 /nfs/dbraw/zinc/25/70/68/338257068.db2.gz GJIOUYBNZIGBRR-UHFFFAOYSA-N 1 1 320.371 3.510 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+](Cc3ccc(F)cc3)C3CC3)n2c1 ZINC000155236923 338257069 /nfs/dbraw/zinc/25/70/69/338257069.db2.gz GJIOUYBNZIGBRR-UHFFFAOYSA-N 1 1 320.371 3.510 20 30 DHEDMO CCS[C@@H]1CCCC[N@@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000437365405 338308062 /nfs/dbraw/zinc/30/80/62/338308062.db2.gz QQMLVUZENNLLAO-MRXNPFEDSA-N 1 1 304.459 3.674 20 30 DHEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437847810 338323342 /nfs/dbraw/zinc/32/33/42/338323342.db2.gz VSXNSDOMEWARGY-SFHVURJKSA-N 1 1 304.478 3.668 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C(C)C)C1 ZINC000438486380 338345895 /nfs/dbraw/zinc/34/58/95/338345895.db2.gz PELNVWNFNBPHIS-HZPDHXFCSA-N 1 1 320.502 3.629 20 30 DHEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000438819507 338352413 /nfs/dbraw/zinc/35/24/13/338352413.db2.gz MSYKQGMRMKBVJP-QAPCUYQASA-N 1 1 313.445 3.787 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c(Cl)c1 ZINC000439419973 338368794 /nfs/dbraw/zinc/36/87/94/338368794.db2.gz IJTSCTJGMORZKI-MRXNPFEDSA-N 1 1 304.821 3.603 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c(Cl)c1 ZINC000439419973 338368795 /nfs/dbraw/zinc/36/87/95/338368795.db2.gz IJTSCTJGMORZKI-MRXNPFEDSA-N 1 1 304.821 3.603 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c(Cl)c1 ZINC000439441256 338369646 /nfs/dbraw/zinc/36/96/46/338369646.db2.gz RTRXIHMRTYFMMX-QGZVFWFLSA-N 1 1 304.821 3.604 20 30 DHEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000439445328 338369688 /nfs/dbraw/zinc/36/96/88/338369688.db2.gz CIDGMVUKUGYMSC-QGZVFWFLSA-N 1 1 300.789 3.689 20 30 DHEDMO COc1cc(C[N@H+](C)Cc2ccc(C#N)cc2Cl)ccc1O ZINC000439448873 338369746 /nfs/dbraw/zinc/36/97/46/338369746.db2.gz GSXIAXVISWJRTE-UHFFFAOYSA-N 1 1 316.788 3.558 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2Cl)ccc1O ZINC000439448873 338369747 /nfs/dbraw/zinc/36/97/47/338369747.db2.gz GSXIAXVISWJRTE-UHFFFAOYSA-N 1 1 316.788 3.558 20 30 DHEDMO Cc1cc(C2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)n[nH]1 ZINC000439446138 338369834 /nfs/dbraw/zinc/36/98/34/338369834.db2.gz DKVDCXNPGOIDMK-UHFFFAOYSA-N 1 1 314.820 3.623 20 30 DHEDMO C=CCOc1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000440122930 338383603 /nfs/dbraw/zinc/38/36/03/338383603.db2.gz ZEHMPYMPRCUHJL-GOSISDBHSA-N 1 1 314.429 3.597 20 30 DHEDMO CC1(c2ccc(Br)cc2)CC[NH+](CCC#N)CC1 ZINC000440518811 338389004 /nfs/dbraw/zinc/38/90/04/338389004.db2.gz VPUAEBOJHHNWKC-UHFFFAOYSA-N 1 1 307.235 3.716 20 30 DHEDMO COc1cc(C[NH2+]Cc2cc(F)c(Cl)cc2F)ccc1C#N ZINC000441365655 338410692 /nfs/dbraw/zinc/41/06/92/338410692.db2.gz BJPGARANZKZBAW-UHFFFAOYSA-N 1 1 322.742 3.788 20 30 DHEDMO CC(C)(C#N)C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449237082 338605170 /nfs/dbraw/zinc/60/51/70/338605170.db2.gz AIVRUGQBVRRZTF-LBPRGKRZSA-N 1 1 311.198 3.715 20 30 DHEDMO N#CC1(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000450843070 338708059 /nfs/dbraw/zinc/70/80/59/338708059.db2.gz HNILVIQYBSRNDT-HUUCEWRRSA-N 1 1 308.784 3.593 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000459279332 339019002 /nfs/dbraw/zinc/01/90/02/339019002.db2.gz LRYYXNJBVFJDNV-QGZVFWFLSA-N 1 1 307.353 3.804 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000459279332 339019003 /nfs/dbraw/zinc/01/90/03/339019003.db2.gz LRYYXNJBVFJDNV-QGZVFWFLSA-N 1 1 307.353 3.804 20 30 DHEDMO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459357540 339024165 /nfs/dbraw/zinc/02/41/65/339024165.db2.gz ORHYOUYVFVEFNC-UONOGXRCSA-N 1 1 319.430 3.572 20 30 DHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459357540 339024166 /nfs/dbraw/zinc/02/41/66/339024166.db2.gz ORHYOUYVFVEFNC-UONOGXRCSA-N 1 1 319.430 3.572 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000459388133 339026344 /nfs/dbraw/zinc/02/63/44/339026344.db2.gz NVCSIBMUAKSTLH-SFHVURJKSA-N 1 1 307.353 3.707 20 30 DHEDMO C[C@H]([NH2+]CC#Cc1ccccc1Cl)c1nc2c(s1)CCC2 ZINC000459626806 339039003 /nfs/dbraw/zinc/03/90/03/339039003.db2.gz ANAIUXXMXPQWQF-LBPRGKRZSA-N 1 1 316.857 3.988 20 30 DHEDMO N#Cc1ccc(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)s1 ZINC000459630087 339039280 /nfs/dbraw/zinc/03/92/80/339039280.db2.gz OUJCDOBMLQVTNS-UHFFFAOYSA-N 1 1 304.365 3.572 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC12CCCCC2 ZINC000463054639 339103307 /nfs/dbraw/zinc/10/33/07/339103307.db2.gz MEEUDGXAEBGWJQ-INIZCTEOSA-N 1 1 322.456 3.998 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOc1cccc(F)c1 ZINC000464821567 339155245 /nfs/dbraw/zinc/15/52/45/339155245.db2.gz IAANDQVAMSLMGQ-PMACEKPBSA-N 1 1 324.399 3.976 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOc1cccc(F)c1 ZINC000464821567 339155246 /nfs/dbraw/zinc/15/52/46/339155246.db2.gz IAANDQVAMSLMGQ-PMACEKPBSA-N 1 1 324.399 3.976 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOc1ccc(F)cc1 ZINC000464826690 339155654 /nfs/dbraw/zinc/15/56/54/339155654.db2.gz FBOQNLCOQQSMPX-WOJBJXKFSA-N 1 1 324.399 3.976 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOc1ccc(F)cc1 ZINC000464826690 339155655 /nfs/dbraw/zinc/15/56/55/339155655.db2.gz FBOQNLCOQQSMPX-WOJBJXKFSA-N 1 1 324.399 3.976 20 30 DHEDMO CCC[C@@]1(C)CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000464842549 339156962 /nfs/dbraw/zinc/15/69/62/339156962.db2.gz IWEZLYPHQOIZRW-IBGZPJMESA-N 1 1 313.445 3.789 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000464854318 339158101 /nfs/dbraw/zinc/15/81/01/339158101.db2.gz ONKBZEQCBXEFDB-WBVHZDCISA-N 1 1 323.358 3.558 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000466440834 339205205 /nfs/dbraw/zinc/20/52/05/339205205.db2.gz JGLLDZGIXDKGEY-HKUYNNGSSA-N 1 1 314.473 3.712 20 30 DHEDMO CCC[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000466464421 339206191 /nfs/dbraw/zinc/20/61/91/339206191.db2.gz MUBGLUXNOHNSBY-ZDUSSCGKSA-N 1 1 319.836 3.662 20 30 DHEDMO CCC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000466464421 339206192 /nfs/dbraw/zinc/20/61/92/339206192.db2.gz MUBGLUXNOHNSBY-ZDUSSCGKSA-N 1 1 319.836 3.662 20 30 DHEDMO C=CCC[N@H+](C)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000467298168 339230253 /nfs/dbraw/zinc/23/02/53/339230253.db2.gz MNNTUIHQPGQPTC-AWEZNQCLSA-N 1 1 313.228 3.607 20 30 DHEDMO C=CCC[N@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000467371621 339234830 /nfs/dbraw/zinc/23/48/30/339234830.db2.gz WIVWGNKWLLRJPC-UHFFFAOYSA-N 1 1 323.362 3.958 20 30 DHEDMO C=C[C@](C)(CC)C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000467519122 339240957 /nfs/dbraw/zinc/24/09/57/339240957.db2.gz PRIRUWFAPRGBIL-AZUAARDMSA-N 1 1 314.473 3.542 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000468000375 339250891 /nfs/dbraw/zinc/25/08/91/339250891.db2.gz NNFRDLMTMDQZST-UYAOXDASSA-N 1 1 314.473 3.712 20 30 DHEDMO COCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)c1ccccc1 ZINC000468268900 339258283 /nfs/dbraw/zinc/25/82/83/339258283.db2.gz CXSNOMFRLYSDMT-OAHLLOKOSA-N 1 1 312.388 3.907 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000468953545 339275782 /nfs/dbraw/zinc/27/57/82/339275782.db2.gz LDCAIVDYPDSIES-OAHLLOKOSA-N 1 1 312.363 3.901 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000468953465 339275837 /nfs/dbraw/zinc/27/58/37/339275837.db2.gz LDCAIVDYPDSIES-HNNXBMFYSA-N 1 1 312.363 3.901 20 30 DHEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(COc2ccccc2)CC1 ZINC000469015957 339277665 /nfs/dbraw/zinc/27/76/65/339277665.db2.gz QAPIUTCBELYZCV-UHFFFAOYSA-N 1 1 324.399 3.988 20 30 DHEDMO C=CCN(CC1CCCCC1)C(=O)CCn1cc[nH+]c1C(C)C ZINC000469072248 339279333 /nfs/dbraw/zinc/27/93/33/339279333.db2.gz XDGISDMOOIQYRP-UHFFFAOYSA-N 1 1 317.477 3.992 20 30 DHEDMO C=CCOc1ccc(CN2CCC(CC[NH2+]C)CC2)cc1Cl ZINC000469852248 339302744 /nfs/dbraw/zinc/30/27/44/339302744.db2.gz KZKDEMGVSWSWMW-UHFFFAOYSA-N 1 1 322.880 3.726 20 30 DHEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000470960685 339333018 /nfs/dbraw/zinc/33/30/18/339333018.db2.gz TXHMGSAOBLWLEZ-BXUZGUMPSA-N 1 1 301.739 3.964 20 30 DHEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000470960685 339333019 /nfs/dbraw/zinc/33/30/19/339333019.db2.gz TXHMGSAOBLWLEZ-BXUZGUMPSA-N 1 1 301.739 3.964 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000472771600 339377387 /nfs/dbraw/zinc/37/73/87/339377387.db2.gz OBTJQMGLPKZVBN-MRXNPFEDSA-N 1 1 313.363 3.997 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000472776235 339377530 /nfs/dbraw/zinc/37/75/30/339377530.db2.gz USPDQWJFEOJCTB-JKSUJKDBSA-N 1 1 324.262 3.913 20 30 DHEDMO C[N@H+]1CC[C@@H](CSc2nc(-c3ccccc3)ccc2C#N)C1 ZINC000473784748 339391914 /nfs/dbraw/zinc/39/19/14/339391914.db2.gz OLXYIRAIYCZEBL-CQSZACIVSA-N 1 1 309.438 3.664 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(N(C)C(C)C)nc1)c1ccc(F)cc1 ZINC000491780291 339881209 /nfs/dbraw/zinc/88/12/09/339881209.db2.gz KDAZGBLKNHWQNA-GOSISDBHSA-N 1 1 311.404 3.529 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000499065071 340029060 /nfs/dbraw/zinc/02/90/60/340029060.db2.gz OZPYLGOMCLHDKS-CVEARBPZSA-N 1 1 320.502 3.916 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000499065071 340029061 /nfs/dbraw/zinc/02/90/61/340029061.db2.gz OZPYLGOMCLHDKS-CVEARBPZSA-N 1 1 320.502 3.916 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000499065310 340029091 /nfs/dbraw/zinc/02/90/91/340029091.db2.gz QYZOYLLXVASRRH-XHSDSOJGSA-N 1 1 320.502 3.629 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000499065310 340029092 /nfs/dbraw/zinc/02/90/92/340029092.db2.gz QYZOYLLXVASRRH-XHSDSOJGSA-N 1 1 320.502 3.629 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2ccc(C(C)(C)C)cc2)C1=O ZINC000499986097 340048158 /nfs/dbraw/zinc/04/81/58/340048158.db2.gz AYQUBWQHEGLMQA-MAUKXSAKSA-N 1 1 314.473 3.764 20 30 DHEDMO C=CCOc1cccc(CNCC[N@@H+]2CCCC[C@H]2CC)c1 ZINC000500887294 340069232 /nfs/dbraw/zinc/06/92/32/340069232.db2.gz HZDNADNPCUOTPP-GOSISDBHSA-N 1 1 302.462 3.606 20 30 DHEDMO C=CCOc1cccc(C[NH2+]CCN2CCCC[C@H]2CC)c1 ZINC000500887294 340069233 /nfs/dbraw/zinc/06/92/33/340069233.db2.gz HZDNADNPCUOTPP-GOSISDBHSA-N 1 1 302.462 3.606 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000502446359 340103874 /nfs/dbraw/zinc/10/38/74/340103874.db2.gz BFNBMTDAIMMIAL-SCTDSRPQSA-N 1 1 314.473 3.758 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000502446359 340103875 /nfs/dbraw/zinc/10/38/75/340103875.db2.gz BFNBMTDAIMMIAL-SCTDSRPQSA-N 1 1 314.473 3.758 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000502446361 340103902 /nfs/dbraw/zinc/10/39/02/340103902.db2.gz BFNBMTDAIMMIAL-ZHALLVOQSA-N 1 1 314.473 3.758 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000502446361 340103903 /nfs/dbraw/zinc/10/39/03/340103903.db2.gz BFNBMTDAIMMIAL-ZHALLVOQSA-N 1 1 314.473 3.758 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000502464576 340104799 /nfs/dbraw/zinc/10/47/99/340104799.db2.gz BHSAPZGLUOWQHQ-HNNXBMFYSA-N 1 1 312.388 3.841 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000502464576 340104800 /nfs/dbraw/zinc/10/48/00/340104800.db2.gz BHSAPZGLUOWQHQ-HNNXBMFYSA-N 1 1 312.388 3.841 20 30 DHEDMO CCCC[N@@H+](CCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000505816160 340178667 /nfs/dbraw/zinc/17/86/67/340178667.db2.gz UKEZQGOBHVFESS-UHFFFAOYSA-N 1 1 308.425 3.820 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(OC)cc1OC ZINC000506005144 340182955 /nfs/dbraw/zinc/18/29/55/340182955.db2.gz PVRIKPNDGXDZNU-UHFFFAOYSA-N 1 1 303.427 3.954 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(OC)cc1OC ZINC000506005144 340182956 /nfs/dbraw/zinc/18/29/56/340182956.db2.gz PVRIKPNDGXDZNU-UHFFFAOYSA-N 1 1 303.427 3.954 20 30 DHEDMO C[C@H](C#N)C[N@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000506938123 340203984 /nfs/dbraw/zinc/20/39/84/340203984.db2.gz GIKOLFANLHXESI-QGZVFWFLSA-N 1 1 308.425 3.884 20 30 DHEDMO C[C@H](C#N)C[N@@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000506938123 340203985 /nfs/dbraw/zinc/20/39/85/340203985.db2.gz GIKOLFANLHXESI-QGZVFWFLSA-N 1 1 308.425 3.884 20 30 DHEDMO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc(OC)c1 ZINC000507168022 340210596 /nfs/dbraw/zinc/21/05/96/340210596.db2.gz AKWNHXAMQZUTAL-UHFFFAOYSA-N 1 1 324.424 3.986 20 30 DHEDMO CC[N@H+](CCOc1ccc(C#N)cc1)Cc1c(F)cccc1F ZINC000507274765 340216376 /nfs/dbraw/zinc/21/63/76/340216376.db2.gz RPDSMQGQCSRFFT-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)Cc1c(F)cccc1F ZINC000507274765 340216377 /nfs/dbraw/zinc/21/63/77/340216377.db2.gz RPDSMQGQCSRFFT-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1ccc(F)cc1)Cc1ccccc1 ZINC000507777380 340230998 /nfs/dbraw/zinc/23/09/98/340230998.db2.gz HIMXTRROXHJFMU-UHFFFAOYSA-N 1 1 312.388 3.843 20 30 DHEDMO C=C(C)CC[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000508991154 340257347 /nfs/dbraw/zinc/25/73/47/340257347.db2.gz OLJFAGRHHMVNHT-ZDUSSCGKSA-N 1 1 300.324 3.520 20 30 DHEDMO CCN(C[C@@H](C)C#N)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000509776173 340278863 /nfs/dbraw/zinc/27/88/63/340278863.db2.gz XKLLMKBGUZCOAS-KRWDZBQOSA-N 1 1 301.478 3.626 20 30 DHEDMO C=C(C)CC[N@@H+](CCOC)Cc1sccc1Br ZINC000510765483 340310229 /nfs/dbraw/zinc/31/02/29/340310229.db2.gz REFCBAPWHSNMKA-UHFFFAOYSA-N 1 1 318.280 3.925 20 30 DHEDMO C=C(C)CC[N@H+](CCOC)Cc1sccc1Br ZINC000510765483 340310230 /nfs/dbraw/zinc/31/02/30/340310230.db2.gz REFCBAPWHSNMKA-UHFFFAOYSA-N 1 1 318.280 3.925 20 30 DHEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1c(F)cc(C#N)cc1F ZINC000303444017 340325834 /nfs/dbraw/zinc/32/58/34/340325834.db2.gz IISSFVKAAXWVRU-XQQFMLRXSA-N 1 1 307.388 3.615 20 30 DHEDMO C[C@@H]1C[C@H](CCNc2cccc(C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000511605770 340332119 /nfs/dbraw/zinc/33/21/19/340332119.db2.gz WTMZKEGYVSXVCI-AEFFLSMTSA-N 1 1 320.440 3.666 20 30 DHEDMO C=C(C)C[N@H+](CCO[C@@H]1CCCC[C@@H]1C)Cc1ccc(CO)o1 ZINC000512197533 340351950 /nfs/dbraw/zinc/35/19/50/340351950.db2.gz RAVDCQJPVQMGNY-QFBILLFUSA-N 1 1 321.461 3.745 20 30 DHEDMO CC[C@H]1CCCC[N@H+]1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000512612869 340369035 /nfs/dbraw/zinc/36/90/35/340369035.db2.gz QGYKWPIHUPBFJD-ZBFHGGJFSA-N 1 1 303.425 3.612 20 30 DHEDMO CC[C@H]1CCCCN1CC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512612869 340369036 /nfs/dbraw/zinc/36/90/36/340369036.db2.gz QGYKWPIHUPBFJD-ZBFHGGJFSA-N 1 1 303.425 3.612 20 30 DHEDMO C[C@H]([NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512634844 340370229 /nfs/dbraw/zinc/37/02/29/340370229.db2.gz FHCGMQUFESCULV-ZRGWGRIASA-N 1 1 317.452 3.858 20 30 DHEDMO C[C@@H](NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(C#N)cc1F ZINC000512655379 340371272 /nfs/dbraw/zinc/37/12/72/340371272.db2.gz UBDJNWQLEAQKLX-KUHUBIRLSA-N 1 1 311.404 3.651 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512826746 340379523 /nfs/dbraw/zinc/37/95/23/340379523.db2.gz GLOFEDRMHCOTDA-CYBMUJFWSA-N 1 1 308.372 3.549 20 30 DHEDMO CCc1ccc([C@@H](CO)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000305825549 340389831 /nfs/dbraw/zinc/38/98/31/340389831.db2.gz QUCSNKHTCSHDGK-ORAYPTAESA-N 1 1 312.388 3.644 20 30 DHEDMO CO[C@@H](C)C[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000513255991 340399621 /nfs/dbraw/zinc/39/96/21/340399621.db2.gz JVQJVYPAEOGOPH-SFHVURJKSA-N 1 1 322.452 3.853 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000185030817 340497373 /nfs/dbraw/zinc/49/73/73/340497373.db2.gz XEWYUMCELZLJFN-CJNGLKHVSA-N 1 1 308.853 3.661 20 30 DHEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1cccnc1 ZINC000191819892 340559293 /nfs/dbraw/zinc/55/92/93/340559293.db2.gz WIGRZPQZDHQNSG-NSHDSACASA-N 1 1 316.202 3.567 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cc1 ZINC000564256243 341010776 /nfs/dbraw/zinc/01/07/76/341010776.db2.gz WPOFIJVHSIIRQK-OAQYLSRUSA-N 1 1 318.420 3.722 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1cccc(Cl)c1 ZINC000130416047 341021095 /nfs/dbraw/zinc/02/10/95/341021095.db2.gz KDSSNOTXMVBNFE-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000130416047 341021096 /nfs/dbraw/zinc/02/10/96/341021096.db2.gz KDSSNOTXMVBNFE-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO COc1ccc(C#N)cc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000543414842 341043234 /nfs/dbraw/zinc/04/32/34/341043234.db2.gz AWWLDHNHNFBBAJ-SFHVURJKSA-N 1 1 321.424 3.643 20 30 DHEDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000131165071 341063597 /nfs/dbraw/zinc/06/35/97/341063597.db2.gz NSPMCEOCNBXPTG-GQCTYLIASA-N 1 1 307.353 3.612 20 30 DHEDMO CCCC[N@@H+](CC)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000132665341 341137958 /nfs/dbraw/zinc/13/79/58/341137958.db2.gz RCQLYUDPUNJJKS-HNNXBMFYSA-N 1 1 319.424 3.583 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000132725916 341143782 /nfs/dbraw/zinc/14/37/82/341143782.db2.gz CJEOUDDPHKCBKH-AWEZNQCLSA-N 1 1 301.365 3.631 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000075830862 341185038 /nfs/dbraw/zinc/18/50/38/341185038.db2.gz YASWIMBFELGSGC-GOSISDBHSA-N 1 1 302.393 3.621 20 30 DHEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000134245373 341210694 /nfs/dbraw/zinc/21/06/94/341210694.db2.gz RSNKAQKKWYAGOQ-ORAYPTAESA-N 1 1 310.372 3.521 20 30 DHEDMO C=CC[N@H+](CCC(=O)N(C)c1ccccc1)Cc1cccs1 ZINC000134956075 341227255 /nfs/dbraw/zinc/22/72/55/341227255.db2.gz XVSVFRDIIXTWND-UHFFFAOYSA-N 1 1 314.454 3.789 20 30 DHEDMO C=C(C)C[N@@H+](CCCO[C@@H]1CCCCO1)Cc1ccccc1 ZINC000549174098 341287875 /nfs/dbraw/zinc/28/78/75/341287875.db2.gz NAWNELZBUVGVIM-LJQANCHMSA-N 1 1 303.446 3.998 20 30 DHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)[C@H]1CC[C@@H](C#N)C1 ZINC000549405485 341293450 /nfs/dbraw/zinc/29/34/50/341293450.db2.gz TVLYOYOGVRKPCU-WBVHZDCISA-N 1 1 309.413 3.898 20 30 DHEDMO C=CCOCC[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000549507502 341295909 /nfs/dbraw/zinc/29/59/09/341295909.db2.gz GMLZSAWOHNDJML-CQSZACIVSA-N 1 1 302.443 3.678 20 30 DHEDMO C=CCOCC[N@@H+](C)Cc1ccc(Br)cc1Cl ZINC000549612473 341298977 /nfs/dbraw/zinc/29/89/77/341298977.db2.gz RWPGXVZJYUZJIG-UHFFFAOYSA-N 1 1 318.642 3.737 20 30 DHEDMO C=CCOCC[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000549612473 341298978 /nfs/dbraw/zinc/29/89/78/341298978.db2.gz RWPGXVZJYUZJIG-UHFFFAOYSA-N 1 1 318.642 3.737 20 30 DHEDMO C=CCC(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000551147928 341332557 /nfs/dbraw/zinc/33/25/57/341332557.db2.gz KNISLPAKTGRWIH-DLBZAZTESA-N 1 1 306.494 3.702 20 30 DHEDMO N#CC1(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000551585515 341346508 /nfs/dbraw/zinc/34/65/08/341346508.db2.gz ZMHJFQPFKOAPPI-UHFFFAOYSA-N 1 1 303.818 3.857 20 30 DHEDMO CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000246772075 341356957 /nfs/dbraw/zinc/35/69/57/341356957.db2.gz IDUNOFBHQLAASM-QFBILLFUSA-N 1 1 313.489 3.650 20 30 DHEDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000246772075 341356958 /nfs/dbraw/zinc/35/69/58/341356958.db2.gz IDUNOFBHQLAASM-QFBILLFUSA-N 1 1 313.489 3.650 20 30 DHEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000246772075 341356960 /nfs/dbraw/zinc/35/69/60/341356960.db2.gz IDUNOFBHQLAASM-QFBILLFUSA-N 1 1 313.489 3.650 20 30 DHEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000246772075 341356961 /nfs/dbraw/zinc/35/69/61/341356961.db2.gz IDUNOFBHQLAASM-QFBILLFUSA-N 1 1 313.489 3.650 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000552197918 341377870 /nfs/dbraw/zinc/37/78/70/341377870.db2.gz CBYLXNUXPNUTRM-QGZVFWFLSA-N 1 1 310.372 3.566 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000249288960 341396102 /nfs/dbraw/zinc/39/61/02/341396102.db2.gz QHJBMBHREWTWDT-KKSFZXQISA-N 1 1 318.420 3.793 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCCC[C@H]1C ZINC000249409729 341397295 /nfs/dbraw/zinc/39/72/95/341397295.db2.gz VAFXXYAEXJFFNT-MLGOLLRUSA-N 1 1 317.433 3.607 20 30 DHEDMO Cc1cnc([C@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)s1 ZINC000175859566 341849145 /nfs/dbraw/zinc/84/91/45/341849145.db2.gz FKJGFNBCDFEHSS-AWEZNQCLSA-N 1 1 315.442 3.985 20 30 DHEDMO CC[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCCc2cccnc21 ZINC000364998098 521286464 /nfs/dbraw/zinc/28/64/64/521286464.db2.gz FEXVGGSERJYSTM-GOSISDBHSA-N 1 1 309.388 3.992 20 30 DHEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCCc2cccnc21 ZINC000364998098 521286472 /nfs/dbraw/zinc/28/64/72/521286472.db2.gz FEXVGGSERJYSTM-GOSISDBHSA-N 1 1 309.388 3.992 20 30 DHEDMO CCC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000156760698 521365986 /nfs/dbraw/zinc/36/59/86/521365986.db2.gz PHLNBQWKTMYOMF-OAHLLOKOSA-N 1 1 317.433 3.607 20 30 DHEDMO CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000191506379 521662371 /nfs/dbraw/zinc/66/23/71/521662371.db2.gz UFWOBOREXDVZGF-INIZCTEOSA-N 1 1 310.445 3.790 20 30 DHEDMO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000189195572 522001153 /nfs/dbraw/zinc/00/11/53/522001153.db2.gz TUIRDIVLLDHDBD-AWEZNQCLSA-N 1 1 308.381 3.538 20 30 DHEDMO CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1nc(C)cs1 ZINC000174359433 522876815 /nfs/dbraw/zinc/87/68/15/522876815.db2.gz FBADTRYLRJOXQK-CQSZACIVSA-N 1 1 301.415 3.573 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000157180308 523521672 /nfs/dbraw/zinc/52/16/72/523521672.db2.gz VDUGQUVELBJUBD-GOSISDBHSA-N 1 1 307.397 3.607 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000157180308 523521687 /nfs/dbraw/zinc/52/16/87/523521687.db2.gz VDUGQUVELBJUBD-GOSISDBHSA-N 1 1 307.397 3.607 20 30 DHEDMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000189348221 524273020 /nfs/dbraw/zinc/27/30/20/524273020.db2.gz ZPEITJIMAMDTOF-MRXNPFEDSA-N 1 1 321.424 3.807 20 30 DHEDMO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000189348221 524273028 /nfs/dbraw/zinc/27/30/28/524273028.db2.gz ZPEITJIMAMDTOF-MRXNPFEDSA-N 1 1 321.424 3.807 20 30 DHEDMO C[C@H](c1cccc(NCc2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000267162010 526080953 /nfs/dbraw/zinc/08/09/53/526080953.db2.gz ACEOQMLFTJPATC-MRXNPFEDSA-N 1 1 321.424 3.564 20 30 DHEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2CCC(C)C)c(C#N)c1C ZINC000157236365 526775837 /nfs/dbraw/zinc/77/58/37/526775837.db2.gz PSXYYXTYWUPODG-HNNXBMFYSA-N 1 1 317.433 3.607 20 30 DHEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2CCC(C)C)c(C#N)c1C ZINC000157236365 526775843 /nfs/dbraw/zinc/77/58/43/526775843.db2.gz PSXYYXTYWUPODG-HNNXBMFYSA-N 1 1 317.433 3.607 20 30 DHEDMO Cc1nc([C@H]2CCC[N@@H+]2CCOc2cccc(C#N)c2)cs1 ZINC000189785299 527081086 /nfs/dbraw/zinc/08/10/86/527081086.db2.gz FJLNKSNQKMEXCW-QGZVFWFLSA-N 1 1 313.426 3.539 20 30 DHEDMO Cc1nc([C@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)cs1 ZINC000189785299 527081089 /nfs/dbraw/zinc/08/10/89/527081089.db2.gz FJLNKSNQKMEXCW-QGZVFWFLSA-N 1 1 313.426 3.539 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)c1O ZINC000777968079 1032064501 /nfs/dbraw/zinc/06/45/01/1032064501.db2.gz MBCPFKVYEQUEGV-DYVFJYSZSA-N 1 1 307.409 3.699 20 30 DHEDMO C=CCCCCCCN1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001209436046 1013279957 /nfs/dbraw/zinc/27/99/57/1013279957.db2.gz NFEZUYQAPVRVSI-UHFFFAOYSA-N 1 1 308.510 3.698 20 30 DHEDMO C=CCCCCCCN1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001209436046 1013279965 /nfs/dbraw/zinc/27/99/65/1013279965.db2.gz NFEZUYQAPVRVSI-UHFFFAOYSA-N 1 1 308.510 3.698 20 30 DHEDMO C=CCCCCCCCC[N@H+](CCOC)C1CCN(C)CC1 ZINC001209444032 1013292505 /nfs/dbraw/zinc/29/25/05/1013292505.db2.gz LFUHLNZNDIPGSK-UHFFFAOYSA-N 1 1 310.526 3.946 20 30 DHEDMO C=CCCCCCCCC[N@H+]1CC2CC1(C(=O)N1CCCC1)C2 ZINC001209443914 1013292758 /nfs/dbraw/zinc/29/27/58/1013292758.db2.gz IFGWAFLAGHYSLS-UHFFFAOYSA-N 1 1 318.505 3.990 20 30 DHEDMO C[C@@H]1C[C@@H](CCNc2cnccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000519533284 1013370354 /nfs/dbraw/zinc/37/03/54/1013370354.db2.gz VMSZCGHYEOPMKJ-SJLPKXTDSA-N 1 1 320.440 3.666 20 30 DHEDMO C[N@H+](Cc1cc(-c2ccc(F)cc2)no1)Cc1ccc(C#N)cc1 ZINC000042123134 1013410127 /nfs/dbraw/zinc/41/01/27/1013410127.db2.gz XAXWFMRPRXCEIH-UHFFFAOYSA-N 1 1 321.355 3.984 20 30 DHEDMO C[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)Cc1ccc(C#N)cc1 ZINC000042123134 1013410131 /nfs/dbraw/zinc/41/01/31/1013410131.db2.gz XAXWFMRPRXCEIH-UHFFFAOYSA-N 1 1 321.355 3.984 20 30 DHEDMO CCCCCCCCC[N@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC001167976202 1013450921 /nfs/dbraw/zinc/45/09/21/1013450921.db2.gz OFWCMPBOSWSDDY-GOSISDBHSA-N 1 1 302.462 3.822 20 30 DHEDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC000579904843 1013493727 /nfs/dbraw/zinc/49/37/27/1013493727.db2.gz WMICMDWOZYHZIJ-GOSISDBHSA-N 1 1 324.399 3.913 20 30 DHEDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000120821526 1013513415 /nfs/dbraw/zinc/51/34/15/1013513415.db2.gz YCRZZBFJYWHIDX-SFHVURJKSA-N 1 1 322.408 3.913 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](CC)[C@H](CC)c1ccccc1 ZINC000519909407 1013622689 /nfs/dbraw/zinc/62/26/89/1013622689.db2.gz WHOULRBYVBDJEO-GOSISDBHSA-N 1 1 302.462 3.884 20 30 DHEDMO CC1(C)C[N@H+](CC#Cc2ccc(Cl)cc2)[C@@H]2CCC[C@H]2O1 ZINC000440938686 1013645048 /nfs/dbraw/zinc/64/50/48/1013645048.db2.gz AVVVJOJRJUAILN-IAGOWNOFSA-N 1 1 303.833 3.723 20 30 DHEDMO CC1(C)C[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H]2CCC[C@H]2O1 ZINC000440938686 1013645055 /nfs/dbraw/zinc/64/50/55/1013645055.db2.gz AVVVJOJRJUAILN-IAGOWNOFSA-N 1 1 303.833 3.723 20 30 DHEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000441035355 1013657106 /nfs/dbraw/zinc/65/71/06/1013657106.db2.gz CWIZDYJEBZMDTC-FOIQADDNSA-N 1 1 309.384 3.501 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cc3cccnc3o2)C2CC2)cc1 ZINC000579194567 1013673954 /nfs/dbraw/zinc/67/39/54/1013673954.db2.gz YGXFSFJHPQDDRV-UHFFFAOYSA-N 1 1 303.365 3.864 20 30 DHEDMO CC[C@H](C)C[N@@H+](CC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177370303 1013725552 /nfs/dbraw/zinc/72/55/52/1013725552.db2.gz VHSGLKDHLJLWPZ-NSHDSACASA-N 1 1 307.463 3.543 20 30 DHEDMO N#Cc1csc(CNCC[NH+]2CCC3(CCCCC3)CC2)c1 ZINC000441368727 1013726229 /nfs/dbraw/zinc/72/62/29/1013726229.db2.gz KVDPHAPNUQBGRQ-UHFFFAOYSA-N 1 1 317.502 3.756 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000520386264 1013727787 /nfs/dbraw/zinc/72/77/87/1013727787.db2.gz YZCINILDIUOHBN-LJQANCHMSA-N 1 1 314.473 3.865 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000441378301 1013730643 /nfs/dbraw/zinc/73/06/43/1013730643.db2.gz MTBFVYPCVNQART-IBGZPJMESA-N 1 1 316.489 3.673 20 30 DHEDMO C#Cc1ccc(C[N@H+](CCCc2ccccc2)CCOC)cc1 ZINC001204495924 1013731540 /nfs/dbraw/zinc/73/15/40/1013731540.db2.gz BYMAOLZGQGXLFE-UHFFFAOYSA-N 1 1 307.437 3.749 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cccnc2C)cc1 ZINC000177617072 1013769759 /nfs/dbraw/zinc/76/97/59/1013769759.db2.gz YTMAUXOXTKLGLG-JXMROGBWSA-N 1 1 303.365 3.780 20 30 DHEDMO C[C@@H]1CCC[N@@H+](CCCCNc2ccc(Cl)c(C#N)n2)C1 ZINC000067368046 1013771221 /nfs/dbraw/zinc/77/12/21/1013771221.db2.gz CLUBDLZGGFGQPP-CYBMUJFWSA-N 1 1 306.841 3.531 20 30 DHEDMO C[C@@H]1C[C@@H](NC(=O)c2coc(C3CCCCC3)n2)CC[N@H+]1C ZINC000328700767 1013792515 /nfs/dbraw/zinc/79/25/15/1013792515.db2.gz WHRJXUOYOWGPQG-OCCSQVGLSA-N 1 1 305.422 3.510 20 30 DHEDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000328877563 1013804451 /nfs/dbraw/zinc/80/44/51/1013804451.db2.gz KPELFRZKVVXYSU-ZDUSSCGKSA-N 1 1 319.449 3.767 20 30 DHEDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000328877563 1013804456 /nfs/dbraw/zinc/80/44/56/1013804456.db2.gz KPELFRZKVVXYSU-ZDUSSCGKSA-N 1 1 319.449 3.767 20 30 DHEDMO CC1(C)C[N@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1[C@H]1CCCO1 ZINC000580009450 1013865185 /nfs/dbraw/zinc/86/51/85/1013865185.db2.gz GFVXFSCCPVFFPB-IAGOWNOFSA-N 1 1 303.833 3.581 20 30 DHEDMO CC1(C)C[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1[C@H]1CCCO1 ZINC000580009450 1013865239 /nfs/dbraw/zinc/86/52/39/1013865239.db2.gz GFVXFSCCPVFFPB-IAGOWNOFSA-N 1 1 303.833 3.581 20 30 DHEDMO N#Cc1c(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)cn2ccccc12 ZINC000441458323 1013900641 /nfs/dbraw/zinc/90/06/41/1013900641.db2.gz NUGVNEPFXUHVAS-SFHVURJKSA-N 1 1 323.440 3.735 20 30 DHEDMO C=C[C@](C)(CC)c1nc(CCCCn2c[nH+]c(C)c2C)no1 ZINC000656037888 1013942181 /nfs/dbraw/zinc/94/21/81/1013942181.db2.gz NBVSMJCIEHUHAU-QGZVFWFLSA-N 1 1 302.422 3.760 20 30 DHEDMO C[C@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1cccc(C#N)c1 ZINC000610343470 1013952388 /nfs/dbraw/zinc/95/23/88/1013952388.db2.gz IMQJCLSHNGUVEW-STQMWFEESA-N 1 1 318.380 3.619 20 30 DHEDMO CC[NH+](CC)Cc1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177682140 1013962427 /nfs/dbraw/zinc/96/24/27/1013962427.db2.gz RFNMYIGUHQXDMN-UHFFFAOYSA-N 1 1 313.470 3.751 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cccnc2C#N)C1 ZINC000580519271 1014191330 /nfs/dbraw/zinc/19/13/30/1014191330.db2.gz GDOXSTOZTQLYDM-MRXNPFEDSA-N 1 1 320.440 3.797 20 30 DHEDMO C=CCC[N@H+](CCC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000132734867 1014267619 /nfs/dbraw/zinc/26/76/19/1014267619.db2.gz RHNGZQYMFOHCOB-UHFFFAOYSA-N 1 1 300.446 3.579 20 30 DHEDMO CCC[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000119269743 1014278847 /nfs/dbraw/zinc/27/88/47/1014278847.db2.gz ZLAYDJYLQGLUOJ-UHFFFAOYSA-N 1 1 310.445 3.991 20 30 DHEDMO N#Cc1cccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000380193098 1014302369 /nfs/dbraw/zinc/30/23/69/1014302369.db2.gz QCUKTPOAOFNFAW-SESVDKBCSA-N 1 1 317.436 3.881 20 30 DHEDMO CC(C)C[C@H]1CCCCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000537614996 1014316042 /nfs/dbraw/zinc/31/60/42/1014316042.db2.gz HYHIGOLXCQYVDR-QGZVFWFLSA-N 1 1 310.445 3.997 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000614578742 1014325924 /nfs/dbraw/zinc/32/59/24/1014325924.db2.gz ZHVASXPUYXWAFN-IBGZPJMESA-N 1 1 312.457 3.879 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000061758569 1014371503 /nfs/dbraw/zinc/37/15/03/1014371503.db2.gz QLDRGGHCAXZIET-KRWDZBQOSA-N 1 1 314.473 3.712 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2cccc(F)c2Br)cc1 ZINC000156704771 1014469166 /nfs/dbraw/zinc/46/91/66/1014469166.db2.gz UFIUPQURJHPQRM-UHFFFAOYSA-N 1 1 319.177 3.750 20 30 DHEDMO Cc1cccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c1C ZINC000579647257 1014508591 /nfs/dbraw/zinc/50/85/91/1014508591.db2.gz JFTMVLJKTWWORA-UHFFFAOYSA-N 1 1 308.425 3.824 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000255955447 1014526372 /nfs/dbraw/zinc/52/63/72/1014526372.db2.gz HTVCGXSEYKZNAJ-CABCVRRESA-N 1 1 314.429 3.897 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc(C#N)o3)cc2)C1 ZINC000428190412 1014587486 /nfs/dbraw/zinc/58/74/86/1014587486.db2.gz FHEFLEDIXJSVBN-CQSZACIVSA-N 1 1 323.396 3.635 20 30 DHEDMO COc1ccccc1C[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001203439525 1014609327 /nfs/dbraw/zinc/60/93/27/1014609327.db2.gz IJNOIXXUFYUOHD-UHFFFAOYSA-N 1 1 324.399 3.892 20 30 DHEDMO Cc1csc(C[C@H]2CC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000933135583 1014698369 /nfs/dbraw/zinc/69/83/69/1014698369.db2.gz XESCQPQJOLZCCM-GOEBONIOSA-N 1 1 311.454 3.949 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000521470109 1014710457 /nfs/dbraw/zinc/71/04/57/1014710457.db2.gz BFZUIUWILZZZCP-GOSISDBHSA-N 1 1 312.457 3.879 20 30 DHEDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442780721 1014729792 /nfs/dbraw/zinc/72/97/92/1014729792.db2.gz NITKIJIZNIZIEY-LPHOPBHVSA-N 1 1 323.440 3.693 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@@H](C)c1ccccc1 ZINC000442798661 1014738340 /nfs/dbraw/zinc/73/83/40/1014738340.db2.gz JRWQHANJXSCKTC-INIZCTEOSA-N 1 1 324.424 3.776 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2cc3ccccc3o2)cc1C#N ZINC000135117200 1014763861 /nfs/dbraw/zinc/76/38/61/1014763861.db2.gz MGTYJDDZFDWADZ-UHFFFAOYSA-N 1 1 306.365 3.945 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)cc1Cl ZINC000443062082 1014798156 /nfs/dbraw/zinc/79/81/56/1014798156.db2.gz AFKUIXAWVDUZTK-DZGCQCFKSA-N 1 1 309.837 3.904 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000522069912 1014875091 /nfs/dbraw/zinc/87/50/91/1014875091.db2.gz TVZOCKPRTSVXAD-INIZCTEOSA-N 1 1 320.864 3.554 20 30 DHEDMO C=C(Cl)C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000067486540 1015047388 /nfs/dbraw/zinc/04/73/88/1015047388.db2.gz QEJMVZMUKCVGTG-OAHLLOKOSA-N 1 1 300.229 3.838 20 30 DHEDMO N#CC1(C[NH2+]Cc2cnc(CC(F)(F)F)s2)CCCCC1 ZINC000895404562 1015143561 /nfs/dbraw/zinc/14/35/61/1015143561.db2.gz SEPBAYKODNHXCJ-UHFFFAOYSA-N 1 1 317.380 3.812 20 30 DHEDMO CCC#C[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000677048022 1015168352 /nfs/dbraw/zinc/16/83/52/1015168352.db2.gz NLFJSUIOUKFXNF-ZDUSSCGKSA-N 1 1 307.459 3.659 20 30 DHEDMO CCC#C[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000677048022 1015168356 /nfs/dbraw/zinc/16/83/56/1015168356.db2.gz NLFJSUIOUKFXNF-ZDUSSCGKSA-N 1 1 307.459 3.659 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CN[C@@H](C)c1cnc(C)s1)C(C)C ZINC000090402444 1015179045 /nfs/dbraw/zinc/17/90/45/1015179045.db2.gz MGOOLGWXIJVJOS-HOCLYGCPSA-N 1 1 307.507 3.801 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051158808 1015214368 /nfs/dbraw/zinc/21/43/68/1015214368.db2.gz MDSLRIZRXUZMRC-TXEJJXNPSA-N 1 1 319.430 3.969 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051158808 1015214375 /nfs/dbraw/zinc/21/43/75/1015214375.db2.gz MDSLRIZRXUZMRC-TXEJJXNPSA-N 1 1 319.430 3.969 20 30 DHEDMO C=C(C)C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C(=O)OCC ZINC000895597077 1015224464 /nfs/dbraw/zinc/22/44/64/1015224464.db2.gz DUVRDHWRICSQMV-BPCQOVAHSA-N 1 1 307.356 3.595 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 ZINC000398972464 1015256759 /nfs/dbraw/zinc/25/67/59/1015256759.db2.gz ACXXFVJOJIWYNO-ZCNNSNEGSA-N 1 1 312.457 3.658 20 30 DHEDMO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000895781577 1015305969 /nfs/dbraw/zinc/30/59/69/1015305969.db2.gz ZOACIJPROZPVHD-JZXOWHBKSA-N 1 1 304.478 3.597 20 30 DHEDMO CSc1ccc(C[NH2+]Cc2nc(C)c(C)s2)cc1C#N ZINC000896045706 1015420937 /nfs/dbraw/zinc/42/09/37/1015420937.db2.gz LADZQCDITVPJAO-UHFFFAOYSA-N 1 1 303.456 3.643 20 30 DHEDMO C[N@@H+](Cc1ccccc1NC(=O)C(C)(C)C#N)C1CCCCC1 ZINC001143400992 1015432610 /nfs/dbraw/zinc/43/26/10/1015432610.db2.gz BEHBBZYRTWFZBN-UHFFFAOYSA-N 1 1 313.445 3.939 20 30 DHEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000135327821 1015479680 /nfs/dbraw/zinc/47/96/80/1015479680.db2.gz XBJVELWGYOHUDL-HIFRSBDPSA-N 1 1 319.474 3.849 20 30 DHEDMO CCC[N@@H+](Cc1ccnn1C1CCC1)Cc1ccc(C#N)cc1 ZINC000891652810 1015490193 /nfs/dbraw/zinc/49/01/93/1015490193.db2.gz MXTJROZALAXMJN-UHFFFAOYSA-N 1 1 308.429 3.892 20 30 DHEDMO C[C@H]1CCC[N@@H+](CCCCNc2nccc(C#N)c2Cl)C1 ZINC000341560694 1015528949 /nfs/dbraw/zinc/52/89/49/1015528949.db2.gz HOHSQNOHTYINRJ-ZDUSSCGKSA-N 1 1 306.841 3.531 20 30 DHEDMO Cc1ccc(C[C@@H]2CCC[N@@H+](CCCSCC#N)C2)cc1 ZINC000074989759 1015578453 /nfs/dbraw/zinc/57/84/53/1015578453.db2.gz FNMURODUGQXVEA-SFHVURJKSA-N 1 1 302.487 3.896 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncccc1C#N ZINC000337826668 1015625263 /nfs/dbraw/zinc/62/52/63/1015625263.db2.gz TWDXFUVSRWGCDA-GOSISDBHSA-N 1 1 320.440 3.666 20 30 DHEDMO CCCCCCCCC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000108768630 1015628510 /nfs/dbraw/zinc/62/85/10/1015628510.db2.gz GDQDMCKBKPGGNB-UHFFFAOYSA-N 1 1 322.518 3.973 20 30 DHEDMO CCCCCCCCC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000108768630 1015628514 /nfs/dbraw/zinc/62/85/14/1015628514.db2.gz GDQDMCKBKPGGNB-UHFFFAOYSA-N 1 1 322.518 3.973 20 30 DHEDMO COc1ccc2cc(C[N@@H+](C)Cc3cc(C#N)n(C)c3)ccc2c1 ZINC000276823513 1015684389 /nfs/dbraw/zinc/68/43/89/1015684389.db2.gz ZVZSNOBRSYCTIE-UHFFFAOYSA-N 1 1 319.408 3.691 20 30 DHEDMO CCC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)CC1CC1 ZINC000610666949 1015696338 /nfs/dbraw/zinc/69/63/38/1015696338.db2.gz UWCMQGPONJGMPM-UHFFFAOYSA-N 1 1 308.429 3.674 20 30 DHEDMO CCC[N@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)CC1CC1 ZINC000610666949 1015696346 /nfs/dbraw/zinc/69/63/46/1015696346.db2.gz UWCMQGPONJGMPM-UHFFFAOYSA-N 1 1 308.429 3.674 20 30 DHEDMO CC(C)C[N@@H+](CC[C@@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC000347405984 1032124144 /nfs/dbraw/zinc/12/41/44/1032124144.db2.gz ZXXSFEZHMXRYMV-IBGZPJMESA-N 1 1 300.446 3.975 20 30 DHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C(C)C)c1 ZINC000341827940 1015758153 /nfs/dbraw/zinc/75/81/53/1015758153.db2.gz JELUILMMXJMISD-KRWDZBQOSA-N 1 1 315.461 3.526 20 30 DHEDMO N#CCC[N@@H+](Cc1cccc(Oc2ccccn2)c1)CC1CC1 ZINC000891933151 1015766274 /nfs/dbraw/zinc/76/62/74/1015766274.db2.gz CULWTQRJEINSIB-UHFFFAOYSA-N 1 1 307.397 4.000 20 30 DHEDMO N#CCC[N@H+](Cc1cccc(Oc2ccccn2)c1)CC1CC1 ZINC000891933151 1015766277 /nfs/dbraw/zinc/76/62/77/1015766277.db2.gz CULWTQRJEINSIB-UHFFFAOYSA-N 1 1 307.397 4.000 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000891937190 1015769780 /nfs/dbraw/zinc/76/97/80/1015769780.db2.gz AREUHBIHXCUBNC-IYBDPMFKSA-N 1 1 323.481 3.551 20 30 DHEDMO Cc1ccc(C[N@@H+](CCCOc2cccc(C#N)c2)C2CC2)o1 ZINC000610786210 1015785920 /nfs/dbraw/zinc/78/59/20/1015785920.db2.gz FILZFVAPUGKTBF-UHFFFAOYSA-N 1 1 310.397 3.893 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](C)c1ccccc1 ZINC000522663947 1015789381 /nfs/dbraw/zinc/78/93/81/1015789381.db2.gz BDGXTORILVUANM-KRWDZBQOSA-N 1 1 308.425 3.810 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000610953394 1015963430 /nfs/dbraw/zinc/96/34/30/1015963430.db2.gz BBIFZIMXLMKOKH-FQEVSTJZSA-N 1 1 322.408 3.530 20 30 DHEDMO C[N@H+](Cc1ccnc(C#N)c1)Cc1ccccc1C(F)(F)F ZINC000610991613 1015991405 /nfs/dbraw/zinc/99/14/05/1015991405.db2.gz UDISIRWVZYEJDA-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1ccnc(C#N)c1)Cc1ccccc1C(F)(F)F ZINC000610991613 1015991415 /nfs/dbraw/zinc/99/14/15/1015991415.db2.gz UDISIRWVZYEJDA-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccnc(C#N)c2)[C@@H](C)C2CC2)cc1 ZINC000610991516 1015992258 /nfs/dbraw/zinc/99/22/58/1015992258.db2.gz MIGYRRMORNCFOH-HNNXBMFYSA-N 1 1 321.424 3.763 20 30 DHEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994443 1016004591 /nfs/dbraw/zinc/00/45/91/1016004591.db2.gz HZISOVWJCKEPAW-FQEVSTJZSA-N 1 1 305.425 3.798 20 30 DHEDMO C=C(Cl)C[N@H+](CC)CCOc1ccc(Br)cc1 ZINC001167511877 1016266486 /nfs/dbraw/zinc/26/64/86/1016266486.db2.gz CDDUAWDATLETCS-UHFFFAOYSA-N 1 1 318.642 3.902 20 30 DHEDMO C=C(Cl)C[N@@H+](CC)CCOc1ccc(Br)cc1 ZINC001167511877 1016266493 /nfs/dbraw/zinc/26/64/93/1016266493.db2.gz CDDUAWDATLETCS-UHFFFAOYSA-N 1 1 318.642 3.902 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000157399809 1016272108 /nfs/dbraw/zinc/27/21/08/1016272108.db2.gz WOQDGKCWCMUKOY-HNNXBMFYSA-N 1 1 300.402 3.535 20 30 DHEDMO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2)c1C#N ZINC000539229547 1016287532 /nfs/dbraw/zinc/28/75/32/1016287532.db2.gz KFGRMIKAYSAYKF-AWEZNQCLSA-N 1 1 308.381 3.504 20 30 DHEDMO C=C[C@H](C)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000342406527 1016356173 /nfs/dbraw/zinc/35/61/73/1016356173.db2.gz DQDCJCUDJGSHLP-INIZCTEOSA-N 1 1 308.425 3.623 20 30 DHEDMO Cn1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C2CC2)n1 ZINC000892199592 1016413236 /nfs/dbraw/zinc/41/32/36/1016413236.db2.gz AMTFVUDCCGDAJY-RTBURBONSA-N 1 1 320.440 3.569 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C2CC2)n1 ZINC000892199592 1016413246 /nfs/dbraw/zinc/41/32/46/1016413246.db2.gz AMTFVUDCCGDAJY-RTBURBONSA-N 1 1 320.440 3.569 20 30 DHEDMO CCCC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000346556159 1016454080 /nfs/dbraw/zinc/45/40/80/1016454080.db2.gz XYIBOVDUJHSVHX-QGZVFWFLSA-N 1 1 315.461 3.671 20 30 DHEDMO C[C@H]1C[C@@H](CCNc2cccnc2C#N)C[N@H+]1Cc1ccccc1 ZINC000582214112 1016505199 /nfs/dbraw/zinc/50/51/99/1016505199.db2.gz UTBOVXGCUQKRGG-FUHWJXTLSA-N 1 1 320.440 3.666 20 30 DHEDMO C=CCCn1cc(C[NH2+]Cc2ccc(C(C)(C)CC)cc2)nn1 ZINC000657416507 1016700880 /nfs/dbraw/zinc/70/08/80/1016700880.db2.gz UMGBHEGDLHPGKP-UHFFFAOYSA-N 1 1 312.461 3.832 20 30 DHEDMO CCC(C)(C)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000072633230 1016714219 /nfs/dbraw/zinc/71/42/19/1016714219.db2.gz BROWDAZJWNGRFO-UHFFFAOYSA-N 1 1 315.461 3.671 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)Cc1cccc(Cl)c1 ZINC000347062309 1016720541 /nfs/dbraw/zinc/72/05/41/1016720541.db2.gz VKBWFRCTNFSYTP-MRXNPFEDSA-N 1 1 308.853 3.505 20 30 DHEDMO C=CC[C@H]1CC[N@H+]1CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000934473492 1016770964 /nfs/dbraw/zinc/77/09/64/1016770964.db2.gz YRTKYBWFHJMZLF-ZDUSSCGKSA-N 1 1 314.351 3.500 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000934473492 1016770968 /nfs/dbraw/zinc/77/09/68/1016770968.db2.gz YRTKYBWFHJMZLF-ZDUSSCGKSA-N 1 1 314.351 3.500 20 30 DHEDMO N#Cc1c(F)cccc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281895667 1016782710 /nfs/dbraw/zinc/78/27/10/1016782710.db2.gz MJXKXYKAHLRPTJ-AWEZNQCLSA-N 1 1 324.403 3.614 20 30 DHEDMO C=CCCC[N@@H+](C)CC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000444259086 1016903356 /nfs/dbraw/zinc/90/33/56/1016903356.db2.gz JWMADVWIDFPOHO-UHFFFAOYSA-N 1 1 314.429 3.827 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000444259086 1016903370 /nfs/dbraw/zinc/90/33/70/1016903370.db2.gz JWMADVWIDFPOHO-UHFFFAOYSA-N 1 1 314.429 3.827 20 30 DHEDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000186035553 1016963148 /nfs/dbraw/zinc/96/31/48/1016963148.db2.gz YOOMROFEXOTNBD-HNNXBMFYSA-N 1 1 310.397 3.639 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)ncn2C ZINC000342680184 1016997194 /nfs/dbraw/zinc/99/71/94/1016997194.db2.gz PCWSKEBQCPINJD-UHFFFAOYSA-N 1 1 318.424 3.857 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000847025711 1032180577 /nfs/dbraw/zinc/18/05/77/1032180577.db2.gz OKKJQEITIGKJCJ-KRWDZBQOSA-N 1 1 306.409 3.506 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000847025744 1032181146 /nfs/dbraw/zinc/18/11/46/1032181146.db2.gz ONWNZWCXINGIQE-QWHCGFSZSA-N 1 1 315.804 3.796 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000847025744 1032181151 /nfs/dbraw/zinc/18/11/51/1032181151.db2.gz ONWNZWCXINGIQE-QWHCGFSZSA-N 1 1 315.804 3.796 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000847021702 1032181611 /nfs/dbraw/zinc/18/16/11/1032181611.db2.gz AWGAGWBZZWZBEK-AWEZNQCLSA-N 1 1 312.438 3.664 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000847021702 1032181615 /nfs/dbraw/zinc/18/16/15/1032181615.db2.gz AWGAGWBZZWZBEK-AWEZNQCLSA-N 1 1 312.438 3.664 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000847020577 1032182372 /nfs/dbraw/zinc/18/23/72/1032182372.db2.gz BSQKGVXJXWREDJ-HNNXBMFYSA-N 1 1 314.429 3.879 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000539390037 1033344836 /nfs/dbraw/zinc/34/48/36/1033344836.db2.gz XMVZHTFWPIDCAL-DLBZAZTESA-N 1 1 309.498 3.685 20 30 DHEDMO COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCC[C@@H](CC#N)C1)CC2 ZINC001171322018 1032366600 /nfs/dbraw/zinc/36/66/00/1032366600.db2.gz QSJUCSRJIQUUKN-UONOGXRCSA-N 1 1 318.848 3.832 20 30 DHEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cccnc1Cl ZINC000772989624 1032379871 /nfs/dbraw/zinc/37/98/71/1032379871.db2.gz XKGVIEDRIUJYFK-ZDUSSCGKSA-N 1 1 300.789 3.598 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000120740589 1032388136 /nfs/dbraw/zinc/38/81/36/1032388136.db2.gz GGLQXSVFJDTKFO-KRWDZBQOSA-N 1 1 315.438 3.886 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000120740589 1032388148 /nfs/dbraw/zinc/38/81/48/1032388148.db2.gz GGLQXSVFJDTKFO-KRWDZBQOSA-N 1 1 315.438 3.886 20 30 DHEDMO C=CCC[C@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CC1 ZINC000120944087 1032406545 /nfs/dbraw/zinc/40/65/45/1032406545.db2.gz KNCLPXYJEWCKSI-FPOVZHCZSA-N 1 1 312.501 3.885 20 30 DHEDMO CC(C)(C)C[N@H+](CCC#N)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000348135506 1032474149 /nfs/dbraw/zinc/47/41/49/1032474149.db2.gz JPRBMIQMBQLTQQ-UHFFFAOYSA-N 1 1 319.405 3.625 20 30 DHEDMO CCOc1cc(C[N@H+](CCC#N)CCC(C)C)ccc1OC ZINC000093100852 1032522334 /nfs/dbraw/zinc/52/23/34/1032522334.db2.gz AQRCQDOGZNYHNN-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO CCOc1cc(C[N@@H+](CCC#N)CCC(C)C)ccc1OC ZINC000093100852 1032522341 /nfs/dbraw/zinc/52/23/41/1032522341.db2.gz AQRCQDOGZNYHNN-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO COc1cc(C)c(C[N@H+](CCC#N)CC(C)(C)C)cc1OC ZINC000093101215 1032523409 /nfs/dbraw/zinc/52/34/09/1032523409.db2.gz IYKAWHJDCNXCLU-UHFFFAOYSA-N 1 1 304.434 3.774 20 30 DHEDMO COc1cc(C)c(C[N@@H+](CCC#N)CC(C)(C)C)cc1OC ZINC000093101215 1032523415 /nfs/dbraw/zinc/52/34/15/1032523415.db2.gz IYKAWHJDCNXCLU-UHFFFAOYSA-N 1 1 304.434 3.774 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)cc1Cl ZINC000093482107 1032541528 /nfs/dbraw/zinc/54/15/28/1032541528.db2.gz QNPDKXYSUVCKBP-HIFRSBDPSA-N 1 1 309.837 3.640 20 30 DHEDMO C[N@@H+](CCc1nccs1)Cc1cccc(OCCCC#N)c1 ZINC000093843852 1032560672 /nfs/dbraw/zinc/56/06/72/1032560672.db2.gz NEVNMBOYZAXTOL-UHFFFAOYSA-N 1 1 315.442 3.500 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1COC2(CCCCC2)O1 ZINC001171399274 1032582608 /nfs/dbraw/zinc/58/26/08/1032582608.db2.gz CQWVNTJFJHQVNU-MAUKXSAKSA-N 1 1 314.429 3.627 20 30 DHEDMO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000424319610 1011975303 /nfs/dbraw/zinc/97/53/03/1011975303.db2.gz FFXIGINLSKGHMU-FDKIHUSFSA-N 1 1 323.484 3.711 20 30 DHEDMO CC#CC[N@@H+](C)Cc1cc(Br)ccc1OC(F)F ZINC000579740514 1012014217 /nfs/dbraw/zinc/01/42/17/1012014217.db2.gz NZTDNFMGAUZSRY-UHFFFAOYSA-N 1 1 318.161 3.506 20 30 DHEDMO CC#CC[N@H+](C)Cc1cc(Br)ccc1OC(F)F ZINC000579740514 1012014188 /nfs/dbraw/zinc/01/41/88/1012014188.db2.gz NZTDNFMGAUZSRY-UHFFFAOYSA-N 1 1 318.161 3.506 20 30 DHEDMO CC1(C)C[N@H+](CC#Cc2cccc(Cl)c2)[C@H]1[C@@H]1CCCO1 ZINC000579766864 1012062501 /nfs/dbraw/zinc/06/25/01/1012062501.db2.gz HNABTXLQCCMBCS-IRXDYDNUSA-N 1 1 303.833 3.581 20 30 DHEDMO CC1(C)C[N@@H+](CC#Cc2cccc(Cl)c2)[C@H]1[C@@H]1CCCO1 ZINC000579766864 1012062513 /nfs/dbraw/zinc/06/25/13/1012062513.db2.gz HNABTXLQCCMBCS-IRXDYDNUSA-N 1 1 303.833 3.581 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCCC[C@@H]1C ZINC000120149066 1012094223 /nfs/dbraw/zinc/09/42/23/1012094223.db2.gz VAFXXYAEXJFFNT-BLLLJJGKSA-N 1 1 317.433 3.607 20 30 DHEDMO C=CC[N@H+](CCc1scnc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000172530463 1012147337 /nfs/dbraw/zinc/14/73/37/1012147337.db2.gz SWXGOODUAPWHKD-UHFFFAOYSA-N 1 1 317.414 3.590 20 30 DHEDMO CC[N@@H+](CCCO[C@H]1CCCCO1)[C@@H](C)c1ccc(C#N)cc1 ZINC000513897390 1012218781 /nfs/dbraw/zinc/21/87/81/1012218781.db2.gz PXSZLDRKMSCVRL-LPHOPBHVSA-N 1 1 316.445 3.874 20 30 DHEDMO C#CC[N@@H+](CN1C[C@@H](c2ccccc2C)CC1=O)C1CCCCC1 ZINC000728198614 1012375411 /nfs/dbraw/zinc/37/54/11/1012375411.db2.gz NMOHCPXWMUTQCN-SFHVURJKSA-N 1 1 324.468 3.536 20 30 DHEDMO C#CC[N@H+](CN1C[C@@H](c2ccccc2C)CC1=O)C1CCCCC1 ZINC000728198614 1012375422 /nfs/dbraw/zinc/37/54/22/1012375422.db2.gz NMOHCPXWMUTQCN-SFHVURJKSA-N 1 1 324.468 3.536 20 30 DHEDMO N#Cc1ccc(OCC[N@H+]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000610214986 1012423643 /nfs/dbraw/zinc/42/36/43/1012423643.db2.gz IGTOTAVJPXZYIK-IBGZPJMESA-N 1 1 306.409 3.502 20 30 DHEDMO N#Cc1cccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC001203385683 1012434012 /nfs/dbraw/zinc/43/40/12/1012434012.db2.gz SXLMEZASQZGRMK-UHFFFAOYSA-N 1 1 311.816 3.534 20 30 DHEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000610215708 1012434336 /nfs/dbraw/zinc/43/43/36/1012434336.db2.gz FRVGLEIPGQZFMR-LJQANCHMSA-N 1 1 308.425 3.890 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000514793768 1012438026 /nfs/dbraw/zinc/43/80/26/1012438026.db2.gz QNDUDMMDLFEHNI-HNNXBMFYSA-N 1 1 322.437 3.634 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCCCCCCC)c1 ZINC001167072868 1012479996 /nfs/dbraw/zinc/47/99/96/1012479996.db2.gz VMZGVUAPXKSRTC-UHFFFAOYSA-N 1 1 300.446 3.899 20 30 DHEDMO CC(=O)Nc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425364440 1012489218 /nfs/dbraw/zinc/48/92/18/1012489218.db2.gz GNVNSDUZUWDKLJ-CQSZACIVSA-N 1 1 307.397 3.710 20 30 DHEDMO Cc1ccccc1OCCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC000515555110 1012661791 /nfs/dbraw/zinc/66/17/91/1012661791.db2.gz RLSULNDZTKTHOU-UHFFFAOYSA-N 1 1 312.388 3.907 20 30 DHEDMO N#CCC[N@H+](CCCc1ccc(C#N)cc1)Cc1ccccc1 ZINC001208860096 1012700628 /nfs/dbraw/zinc/70/06/28/1012700628.db2.gz HMPMUMDLSOAHOD-UHFFFAOYSA-N 1 1 303.409 3.907 20 30 DHEDMO N#CCC[N@@H+](CCCc1ccc(C#N)cc1)Cc1ccccc1 ZINC001208860096 1012700646 /nfs/dbraw/zinc/70/06/46/1012700646.db2.gz HMPMUMDLSOAHOD-UHFFFAOYSA-N 1 1 303.409 3.907 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccc2c(c1)CCO2 ZINC000425530974 1012727960 /nfs/dbraw/zinc/72/79/60/1012727960.db2.gz GPCVZCIXHIPGTH-OAHLLOKOSA-N 1 1 306.409 3.729 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1nc2ccccc2n1C ZINC000425531193 1012730955 /nfs/dbraw/zinc/73/09/55/1012730955.db2.gz GWRVHQUHGYBQKQ-OAHLLOKOSA-N 1 1 318.424 3.680 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)CCc1ccccc1 ZINC000425537229 1012734508 /nfs/dbraw/zinc/73/45/08/1012734508.db2.gz QDMWXKOPGFTRTA-OXQOHEQNSA-N 1 1 308.425 3.545 20 30 DHEDMO C[C@H](C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1)C(F)(F)F ZINC001208890035 1012739322 /nfs/dbraw/zinc/73/93/22/1012739322.db2.gz CILIRYTYHDJOTG-TZMCWYRMSA-N 1 1 312.335 3.600 20 30 DHEDMO CCOC(=O)CCCCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425539735 1012741696 /nfs/dbraw/zinc/74/16/96/1012741696.db2.gz UKIJOUPGSVFFFW-OAHLLOKOSA-N 1 1 302.418 3.675 20 30 DHEDMO CC[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C[C@H](C)C#N ZINC000179817096 1012865275 /nfs/dbraw/zinc/86/52/75/1012865275.db2.gz JNWHTAUVOMWODU-OAHLLOKOSA-N 1 1 323.481 3.505 20 30 DHEDMO CC[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H](C)C#N ZINC000179817077 1012868647 /nfs/dbraw/zinc/86/86/47/1012868647.db2.gz JNWHTAUVOMWODU-HNNXBMFYSA-N 1 1 323.481 3.505 20 30 DHEDMO C=CCN(CC[N@H+]1CCC[C@H]1c1cccc(C)c1)C(=O)OCC ZINC001209017814 1012869885 /nfs/dbraw/zinc/86/98/85/1012869885.db2.gz XOFQDSNQLHSHHF-SFHVURJKSA-N 1 1 316.445 3.776 20 30 DHEDMO C[C@@H](c1nc(-c2cc(Cl)c(C#N)cc2Cl)no1)[NH+](C)C ZINC001248268553 1032671276 /nfs/dbraw/zinc/67/12/76/1032671276.db2.gz SKWKDQHNKYOTKP-ZETCQYMHSA-N 1 1 311.172 3.538 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000857770538 1032674726 /nfs/dbraw/zinc/67/47/26/1032674726.db2.gz ALWVHEXDCRXODW-SFHVURJKSA-N 1 1 324.468 3.673 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000248238244 1017209065 /nfs/dbraw/zinc/20/90/65/1017209065.db2.gz NMVIKFYAENLQHA-KRWDZBQOSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+](CCCC)[C@@H](C)c2ccc(C)o2)C1=O ZINC000685000657 1017222541 /nfs/dbraw/zinc/22/25/41/1017222541.db2.gz XIDYFTCZXCERFA-HOTGVXAUSA-N 1 1 304.434 3.538 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCNc1ccc(C#N)cc1C(F)(F)F ZINC000609964736 1017464321 /nfs/dbraw/zinc/46/43/21/1017464321.db2.gz ZYRQRBWQFRMCTR-GFCCVEGCSA-N 1 1 311.351 3.863 20 30 DHEDMO C[N@H+]1CCC[C@@H]1CSc1ccc(C#N)c(C(F)(F)F)c1 ZINC001307324289 1017475690 /nfs/dbraw/zinc/47/56/90/1017475690.db2.gz RZVCRHQVTCNIQS-LLVKDONJSA-N 1 1 300.349 3.763 20 30 DHEDMO N#Cc1cc(N2CCC[N@H+](C3CCCC3)CC2)nc2ccccc12 ZINC000077994894 1017502047 /nfs/dbraw/zinc/50/20/47/1017502047.db2.gz NIQZOQUBJZWXSF-UHFFFAOYSA-N 1 1 320.440 3.561 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@@H](CO)C2)cc1 ZINC000347339812 1017543519 /nfs/dbraw/zinc/54/35/19/1017543519.db2.gz NCBXJFVLAZDNCK-QZTJIDSGSA-N 1 1 324.449 3.559 20 30 DHEDMO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000046528418 1017580329 /nfs/dbraw/zinc/58/03/29/1017580329.db2.gz LHNZXPUUBIJXNZ-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000046528418 1017580340 /nfs/dbraw/zinc/58/03/40/1017580340.db2.gz LHNZXPUUBIJXNZ-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2ccnc(N)c2)cc1 ZINC001167618334 1017625160 /nfs/dbraw/zinc/62/51/60/1017625160.db2.gz HELIXIMRRLTDAI-SFHVURJKSA-N 1 1 308.429 3.599 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000444689689 1017631729 /nfs/dbraw/zinc/63/17/29/1017631729.db2.gz GYZRHFHJKLXHSI-UHFFFAOYSA-N 1 1 324.424 3.695 20 30 DHEDMO Cc1cc(C)cc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000444715063 1017631810 /nfs/dbraw/zinc/63/18/10/1017631810.db2.gz LPJUIBBTJWQKIR-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(C#N)s1)CCC2 ZINC000125587718 1032713246 /nfs/dbraw/zinc/71/32/46/1032713246.db2.gz MGHYJTXVTGDDNP-CQSZACIVSA-N 1 1 303.456 3.894 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000444704789 1017640415 /nfs/dbraw/zinc/64/04/15/1017640415.db2.gz MGCVGUZMMHAMES-HXUWFJFHSA-N 1 1 314.473 3.776 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000342872801 1017652704 /nfs/dbraw/zinc/65/27/04/1017652704.db2.gz YSVYSGFHDVAOHB-UHFFFAOYSA-N 1 1 314.429 3.827 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000342872801 1017652708 /nfs/dbraw/zinc/65/27/08/1017652708.db2.gz YSVYSGFHDVAOHB-UHFFFAOYSA-N 1 1 314.429 3.827 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2cc(-c3cnn(C)c3)no2)CCCC1(C)C ZINC000444773481 1017670051 /nfs/dbraw/zinc/67/00/51/1017670051.db2.gz DRIIEPDERBMITL-KRWDZBQOSA-N 1 1 314.433 3.642 20 30 DHEDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000444774717 1017672420 /nfs/dbraw/zinc/67/24/20/1017672420.db2.gz XRRDJZJSDIGSSF-LJQANCHMSA-N 1 1 300.446 3.615 20 30 DHEDMO C=CCCCCCN(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000523565201 1017736482 /nfs/dbraw/zinc/73/64/82/1017736482.db2.gz OAVWAXKRSJMDAG-KRWDZBQOSA-N 1 1 323.525 3.885 20 30 DHEDMO N#Cc1cccc(OCC[N@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000523791677 1017794854 /nfs/dbraw/zinc/79/48/54/1017794854.db2.gz LTRXUBSVUAHHHT-IBGZPJMESA-N 1 1 324.449 3.727 20 30 DHEDMO N#Cc1ccc(OCC[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000523791201 1017795492 /nfs/dbraw/zinc/79/54/92/1017795492.db2.gz PZAKAOWTROXNNU-IBGZPJMESA-N 1 1 324.449 3.727 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000121552510 1017831224 /nfs/dbraw/zinc/83/12/24/1017831224.db2.gz MLORLUGODSMESU-CQSZACIVSA-N 1 1 312.388 3.769 20 30 DHEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000171138359 1017869902 /nfs/dbraw/zinc/86/99/02/1017869902.db2.gz VDVKLTVBVCTKNW-UGSOOPFHSA-N 1 1 314.816 3.938 20 30 DHEDMO N#CCCCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000114200805 1017883004 /nfs/dbraw/zinc/88/30/04/1017883004.db2.gz SGIKCQXMKLSPHA-QGZVFWFLSA-N 1 1 308.429 3.950 20 30 DHEDMO C=CCC1(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CCCCC1 ZINC001128744089 1018026696 /nfs/dbraw/zinc/02/66/96/1018026696.db2.gz FZOMAJXXQRVSQX-INIZCTEOSA-N 1 1 306.494 3.750 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(CC#N)cc1 ZINC000185157233 1018109554 /nfs/dbraw/zinc/10/95/54/1018109554.db2.gz XWACWTBJZVPSJV-UZLBHIALSA-N 1 1 305.425 3.685 20 30 DHEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000441035799 1018152761 /nfs/dbraw/zinc/15/27/61/1018152761.db2.gz PUAUPJAXJDOIJO-ORAYPTAESA-N 1 1 310.372 3.521 20 30 DHEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000441035799 1018152765 /nfs/dbraw/zinc/15/27/65/1018152765.db2.gz PUAUPJAXJDOIJO-ORAYPTAESA-N 1 1 310.372 3.521 20 30 DHEDMO CC#CC[N@@H+](C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000525110516 1018166894 /nfs/dbraw/zinc/16/68/94/1018166894.db2.gz QYXZTUUBULOFJL-UHFFFAOYSA-N 1 1 313.420 3.884 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000525121854 1018174301 /nfs/dbraw/zinc/17/43/01/1018174301.db2.gz HOMHNKYYQSUJBG-MJGOQNOKSA-N 1 1 314.473 3.537 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2ncccc2C#N)cc1 ZINC000052183672 1018186755 /nfs/dbraw/zinc/18/67/55/1018186755.db2.gz OBPYXBPWIJOILL-MRXNPFEDSA-N 1 1 320.440 3.940 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2cnc3nc(C)cc(C)n23)CCCC1(C)C ZINC000446830500 1018262111 /nfs/dbraw/zinc/26/21/11/1018262111.db2.gz SVPNJKMIBWPXDD-QGZVFWFLSA-N 1 1 312.461 3.913 20 30 DHEDMO COCC[N@@H+](Cc1cc(C#N)ccc1OC)[C@@H](C)c1ccccc1 ZINC000446863995 1018277240 /nfs/dbraw/zinc/27/72/40/1018277240.db2.gz XWFKQSQDNKOENM-INIZCTEOSA-N 1 1 324.424 3.776 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)NCCC[NH+]2CCCC2)cc1 ZINC000764667873 1018343246 /nfs/dbraw/zinc/34/32/46/1018343246.db2.gz UWLQVCOZUMWUMO-MRXNPFEDSA-N 1 1 322.880 3.954 20 30 DHEDMO Cn1c2ccccc2nc1[C@H]([NH2+]CCCC#N)c1ccccc1 ZINC000126048247 1018349698 /nfs/dbraw/zinc/34/96/98/1018349698.db2.gz DZBKGZFEKCTEND-GOSISDBHSA-N 1 1 304.397 3.556 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(Br)c1 ZINC000088442281 1032758412 /nfs/dbraw/zinc/75/84/12/1032758412.db2.gz LSNODJQLLKLWCA-UHFFFAOYSA-N 1 1 315.214 3.953 20 30 DHEDMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000173832142 1018364578 /nfs/dbraw/zinc/36/45/78/1018364578.db2.gz FCGGNGDXNVETAH-UZLBHIALSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000173832142 1018364588 /nfs/dbraw/zinc/36/45/88/1018364588.db2.gz FCGGNGDXNVETAH-UZLBHIALSA-N 1 1 306.409 3.829 20 30 DHEDMO CC1CC[NH+]([C@@H](CNCc2ccc(C#N)o2)c2ccccc2)CC1 ZINC000174297330 1018414447 /nfs/dbraw/zinc/41/44/47/1018414447.db2.gz PULDWSYLIXSQGU-FQEVSTJZSA-N 1 1 323.440 3.714 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(OC)c1 ZINC000766122314 1018425830 /nfs/dbraw/zinc/42/58/30/1018425830.db2.gz SWWBUSGAANJYRE-FQEVSTJZSA-N 1 1 311.425 3.807 20 30 DHEDMO C=C(Cl)CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766127264 1018441781 /nfs/dbraw/zinc/44/17/81/1018441781.db2.gz DOWUQBKQHPFVLP-QZTJIDSGSA-N 1 1 304.865 3.725 20 30 DHEDMO N#Cc1cc(F)ccc1CO[NH+]=C(N)CCCc1ccccc1 ZINC000728568614 1018519893 /nfs/dbraw/zinc/51/98/93/1018519893.db2.gz FTFWMNKGTUXFJF-UHFFFAOYSA-N 1 1 311.360 3.719 20 30 DHEDMO CC[N@@H+](CCC(C)(C)C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000527218828 1018531051 /nfs/dbraw/zinc/53/10/51/1018531051.db2.gz UNWZIAQYXZZTBA-CQSZACIVSA-N 1 1 302.418 3.530 20 30 DHEDMO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccc(OC(F)F)cc1 ZINC000448202363 1018556847 /nfs/dbraw/zinc/55/68/47/1018556847.db2.gz VABXLWHLFBJGKU-UHFFFAOYSA-N 1 1 319.326 3.911 20 30 DHEDMO C=C[C@@H](CC(=O)N(CC)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000583583479 1018576302 /nfs/dbraw/zinc/57/63/02/1018576302.db2.gz LQRNXSDOCOJTJN-PKOBYXMFSA-N 1 1 314.473 3.679 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000246590593 1018650572 /nfs/dbraw/zinc/65/05/72/1018650572.db2.gz ILROAKZSZMIVGU-CABCVRRESA-N 1 1 320.502 3.528 20 30 DHEDMO CC[N@H+]1CC[C@@H](Nc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000129938497 1018654818 /nfs/dbraw/zinc/65/48/18/1018654818.db2.gz VMHZJUXTMCJZAW-CRAIPNDOSA-N 1 1 301.434 3.511 20 30 DHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000385891333 1032778013 /nfs/dbraw/zinc/77/80/13/1032778013.db2.gz UUOZFFOUHLYUTL-ZDUSSCGKSA-N 1 1 300.299 3.860 20 30 DHEDMO Cc1cnc(CC[N@H+](C)CC#Cc2ccc(Cl)cc2)s1 ZINC000157792082 1018681885 /nfs/dbraw/zinc/68/18/85/1018681885.db2.gz UNJXHEZHEYPTAT-UHFFFAOYSA-N 1 1 304.846 3.631 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(-n2nc(C)cc2C)cc1)[C@H](C)COC ZINC000661244453 1018697482 /nfs/dbraw/zinc/69/74/82/1018697482.db2.gz UTISLBNKSDEMEC-QGZVFWFLSA-N 1 1 313.445 3.512 20 30 DHEDMO CC[N@@H+](CCCSCCOC)[C@@H](C)c1ccc(C#N)cc1 ZINC000278482482 1018733918 /nfs/dbraw/zinc/73/39/18/1018733918.db2.gz IBCTXFRGRFXMQA-HNNXBMFYSA-N 1 1 306.475 3.711 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000057847893 1018739130 /nfs/dbraw/zinc/73/91/30/1018739130.db2.gz ZPFROYRXGIAWER-HNNXBMFYSA-N 1 1 318.486 3.802 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000057847893 1018739140 /nfs/dbraw/zinc/73/91/40/1018739140.db2.gz ZPFROYRXGIAWER-HNNXBMFYSA-N 1 1 318.486 3.802 20 30 DHEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000057863388 1018739163 /nfs/dbraw/zinc/73/91/63/1018739163.db2.gz WGNCCFMFCIODSX-INIZCTEOSA-N 1 1 313.445 3.787 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)N[C@H](C)CC[NH+](C)C)cc1 ZINC000765452254 1018789691 /nfs/dbraw/zinc/78/96/91/1018789691.db2.gz ZMWGUTRBSLMSHU-CABCVRRESA-N 1 1 310.869 3.809 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)CCN(C)C)cc1 ZINC000765452254 1018789704 /nfs/dbraw/zinc/78/97/04/1018789704.db2.gz ZMWGUTRBSLMSHU-CABCVRRESA-N 1 1 310.869 3.809 20 30 DHEDMO C[N@H+](CCOc1ccc(C#N)cc1)Cc1nc2ccccc2s1 ZINC000024241309 1018879814 /nfs/dbraw/zinc/87/98/14/1018879814.db2.gz GRERLYHGPAQCQI-UHFFFAOYSA-N 1 1 323.421 3.679 20 30 DHEDMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1nc2ccccc2s1 ZINC000024241309 1018879826 /nfs/dbraw/zinc/87/98/26/1018879826.db2.gz GRERLYHGPAQCQI-UHFFFAOYSA-N 1 1 323.421 3.679 20 30 DHEDMO C=CC[N@H+](CCOC)C/C(C)=C/c1ccccc1OC(F)F ZINC000584060746 1018910509 /nfs/dbraw/zinc/91/05/09/1018910509.db2.gz UFQXSAWXTDVNFJ-WYMLVPIESA-N 1 1 311.372 3.826 20 30 DHEDMO C=CC[N@H+](CCOC)C/C(C)=C\c1ccccc1OC(F)F ZINC000584060745 1018911101 /nfs/dbraw/zinc/91/11/01/1018911101.db2.gz UFQXSAWXTDVNFJ-OWBHPGMISA-N 1 1 311.372 3.826 20 30 DHEDMO Clc1cc(Cl)c(N=NC2CC[N@H+]3CCC[C@@H]23)nc1Cl ZINC000765559501 1018921521 /nfs/dbraw/zinc/92/15/21/1018921521.db2.gz KCAXEDYRVPEIJE-JTQLQIEISA-N 1 1 319.623 3.678 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1F ZINC000368269790 1018990301 /nfs/dbraw/zinc/99/03/01/1018990301.db2.gz NRZWPPYRPFZHIH-UHOSZYNNSA-N 1 1 316.420 3.603 20 30 DHEDMO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075767267 1019049107 /nfs/dbraw/zinc/04/91/07/1019049107.db2.gz ZRORHCMIKWQIPN-KGLIPLIRSA-N 1 1 310.401 3.619 20 30 DHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000063551527 1019054689 /nfs/dbraw/zinc/05/46/89/1019054689.db2.gz RGVSIKXKITVMDO-GOSISDBHSA-N 1 1 311.429 3.541 20 30 DHEDMO CC(C)CC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000130715494 1019058370 /nfs/dbraw/zinc/05/83/70/1019058370.db2.gz GEDOLFZSGQRNQB-UHFFFAOYSA-N 1 1 310.445 3.942 20 30 DHEDMO CN(Cc1cccc(C#N)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109779 1019088557 /nfs/dbraw/zinc/08/85/57/1019088557.db2.gz ZVRVGYOTQRWKDI-NRFANRHFSA-N 1 1 319.452 3.512 20 30 DHEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCc2ccccc21 ZINC000008126812 1019088869 /nfs/dbraw/zinc/08/88/69/1019088869.db2.gz GWYJSMRSRHVQQS-IBGZPJMESA-N 1 1 319.408 3.506 20 30 DHEDMO Cc1cc(C)c(COC(=O)[C@@]2(C#N)CC3CCC2CC3)c(C)[nH+]1 ZINC000923263631 1019094975 /nfs/dbraw/zinc/09/49/75/1019094975.db2.gz QSXBFKNNXFYYJT-LADRWXRNSA-N 1 1 312.413 3.770 20 30 DHEDMO CCOc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)cc1F ZINC000785484044 1019214387 /nfs/dbraw/zinc/21/43/87/1019214387.db2.gz TUYYRHQXQJNQTO-UHFFFAOYSA-N 1 1 302.324 3.525 20 30 DHEDMO CCc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000347923439 1019266741 /nfs/dbraw/zinc/26/67/41/1019266741.db2.gz UESLSWAVZVCNPX-WOJBJXKFSA-N 1 1 305.425 3.916 20 30 DHEDMO CCc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000347923439 1019266750 /nfs/dbraw/zinc/26/67/50/1019266750.db2.gz UESLSWAVZVCNPX-WOJBJXKFSA-N 1 1 305.425 3.916 20 30 DHEDMO CC[C@@H](C(=O)[C@H](C#N)c1nc(C(C)C)cs1)[NH+](CC)CC ZINC000765964819 1019272932 /nfs/dbraw/zinc/27/29/32/1019272932.db2.gz OVNYWXJGYGRXHK-JSGCOSHPSA-N 1 1 307.463 3.563 20 30 DHEDMO C=CCCCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001128275129 1019291189 /nfs/dbraw/zinc/29/11/89/1019291189.db2.gz YWSGVMWQUKJDIM-LJQANCHMSA-N 1 1 314.473 3.822 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000113933810 1019427485 /nfs/dbraw/zinc/42/74/85/1019427485.db2.gz YATBHQZXYCFAQM-YLJYHZDGSA-N 1 1 311.473 3.645 20 30 DHEDMO C[C@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000611266424 1019428485 /nfs/dbraw/zinc/42/84/85/1019428485.db2.gz FOZZAQFBMBFWCZ-HNNXBMFYSA-N 1 1 321.424 3.567 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]2C(C)C)c1C#N ZINC000611346295 1019454178 /nfs/dbraw/zinc/45/41/78/1019454178.db2.gz LOIVBMNSVZBZGI-SFHVURJKSA-N 1 1 308.429 3.673 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c1C#N ZINC000611349322 1019455610 /nfs/dbraw/zinc/45/56/10/1019455610.db2.gz BYXMQJMPPPTYPS-GJZGRUSLSA-N 1 1 308.429 3.530 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c1C#N ZINC000611349322 1019455616 /nfs/dbraw/zinc/45/56/16/1019455616.db2.gz BYXMQJMPPPTYPS-GJZGRUSLSA-N 1 1 308.429 3.530 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1C#N ZINC000611349321 1019456108 /nfs/dbraw/zinc/45/61/08/1019456108.db2.gz BYXMQJMPPPTYPS-CABCVRRESA-N 1 1 308.429 3.530 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c1C#N ZINC000611349321 1019456117 /nfs/dbraw/zinc/45/61/17/1019456117.db2.gz BYXMQJMPPPTYPS-CABCVRRESA-N 1 1 308.429 3.530 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[NH+]2C3CCCC2CCC3)c1C#N ZINC000611348198 1019456788 /nfs/dbraw/zinc/45/67/88/1019456788.db2.gz SSVFPHHSDZDJLN-UHFFFAOYSA-N 1 1 320.440 3.959 20 30 DHEDMO N#Cc1cc(C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)ccn1 ZINC000611383986 1019463127 /nfs/dbraw/zinc/46/31/27/1019463127.db2.gz UCFSSKRKDUFIEB-HNNXBMFYSA-N 1 1 323.293 3.876 20 30 DHEDMO C[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCCCC1 ZINC000611390991 1019474297 /nfs/dbraw/zinc/47/42/97/1019474297.db2.gz LXVKWXMBNZOEBZ-JXFKEZNVSA-N 1 1 311.473 3.647 20 30 DHEDMO C[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCCCC1 ZINC000611390995 1019474974 /nfs/dbraw/zinc/47/49/74/1019474974.db2.gz LXVKWXMBNZOEBZ-OXQOHEQNSA-N 1 1 311.473 3.647 20 30 DHEDMO C=CCCc1ccccc1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001128410349 1019594782 /nfs/dbraw/zinc/59/47/82/1019594782.db2.gz VESBVXYBJZZPAZ-UHFFFAOYSA-N 1 1 318.380 3.638 20 30 DHEDMO C[C@@H]1C[C@@H](NC2(C#N)CCCCCC2)C[N@H+]1Cc1ccccc1 ZINC001171725390 1032844313 /nfs/dbraw/zinc/84/43/13/1032844313.db2.gz KVMNWPQNRYJSEG-IEBWSBKVSA-N 1 1 311.473 3.856 20 30 DHEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000347578540 1019720636 /nfs/dbraw/zinc/72/06/36/1019720636.db2.gz ILMOXYJGMOHRMC-QWHCGFSZSA-N 1 1 319.836 3.518 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1snnc1C ZINC000929271614 1019721798 /nfs/dbraw/zinc/72/17/98/1019721798.db2.gz ZLITYIMARZDDFO-ZDUSSCGKSA-N 1 1 300.431 3.691 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1snnc1C ZINC000929271614 1019721816 /nfs/dbraw/zinc/72/18/16/1019721816.db2.gz ZLITYIMARZDDFO-ZDUSSCGKSA-N 1 1 300.431 3.691 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@@H+](CCO)C1CCCCC1 ZINC000151933792 1019789885 /nfs/dbraw/zinc/78/98/85/1019789885.db2.gz VDUCLYZMTZMQQB-UHFFFAOYSA-N 1 1 300.446 3.615 20 30 DHEDMO CC(C)COC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccco1 ZINC000347616877 1019800025 /nfs/dbraw/zinc/80/00/25/1019800025.db2.gz NYXFMKYFTVRJGS-SFHVURJKSA-N 1 1 312.413 3.849 20 30 DHEDMO CC[N@H+](Cc1ccn(C(F)F)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000347698006 1019842712 /nfs/dbraw/zinc/84/27/12/1019842712.db2.gz IGCICMXPTCXYAY-GFCCVEGCSA-N 1 1 304.344 3.733 20 30 DHEDMO CC[N@@H+](Cc1ccn(C(F)F)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000347698006 1019842729 /nfs/dbraw/zinc/84/27/29/1019842729.db2.gz IGCICMXPTCXYAY-GFCCVEGCSA-N 1 1 304.344 3.733 20 30 DHEDMO FC(F)[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000677729713 1019946030 /nfs/dbraw/zinc/94/60/30/1019946030.db2.gz BOLZIPAFHMLMCE-LBPRGKRZSA-N 1 1 303.274 3.644 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000347714206 1020013986 /nfs/dbraw/zinc/01/39/86/1020013986.db2.gz BUXYKCXKNFUKCW-IBGZPJMESA-N 1 1 321.424 3.602 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(NC(C)=O)c1 ZINC000101546992 1020050995 /nfs/dbraw/zinc/05/09/95/1020050995.db2.gz LFCPRZVHMHGKSC-UHFFFAOYSA-N 1 1 319.408 3.705 20 30 DHEDMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(OCC#N)cc1 ZINC000731210543 1020080101 /nfs/dbraw/zinc/08/01/01/1020080101.db2.gz QJNQLMWCJJOHOX-UHFFFAOYSA-N 1 1 300.789 3.874 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1cc2ccccc2o1 ZINC000154227483 1020082695 /nfs/dbraw/zinc/08/26/95/1020082695.db2.gz BIICGYBGBNAVDU-UHFFFAOYSA-N 1 1 306.365 3.945 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000154227483 1020082709 /nfs/dbraw/zinc/08/27/09/1020082709.db2.gz BIICGYBGBNAVDU-UHFFFAOYSA-N 1 1 306.365 3.945 20 30 DHEDMO CC(C)(C#N)c1ccc(C[NH2+]Cc2nc3c(s2)CCC3)cc1 ZINC000922473160 1020088598 /nfs/dbraw/zinc/08/85/98/1020088598.db2.gz QZAGUFAXXRMUCM-UHFFFAOYSA-N 1 1 311.454 3.723 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCCC[C@H]2c2noc(C3CC3)n2)CC1 ZINC000929304246 1020098286 /nfs/dbraw/zinc/09/82/86/1020098286.db2.gz QSRDQZOTCZGELV-XUJLQICISA-N 1 1 314.433 3.804 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCCC[C@H]2c2noc(C3CC3)n2)CC1 ZINC000929304246 1020098295 /nfs/dbraw/zinc/09/82/95/1020098295.db2.gz QSRDQZOTCZGELV-XUJLQICISA-N 1 1 314.433 3.804 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)CC1 ZINC000929304247 1020099963 /nfs/dbraw/zinc/09/99/63/1020099963.db2.gz QSRDQZOTCZGELV-ZBCRRDGASA-N 1 1 314.433 3.804 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCCC[C@@H]2c2noc(C3CC3)n2)CC1 ZINC000929304247 1020099973 /nfs/dbraw/zinc/09/99/73/1020099973.db2.gz QSRDQZOTCZGELV-ZBCRRDGASA-N 1 1 314.433 3.804 20 30 DHEDMO CC[N@@H+](CCC1CCN(c2cccnc2C#N)CC1)CC(C)C ZINC000555136427 1020105853 /nfs/dbraw/zinc/10/58/53/1020105853.db2.gz ZVVZBIKOHDZDIU-UHFFFAOYSA-N 1 1 314.477 3.538 20 30 DHEDMO C=C(Cl)C[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000731751502 1020147215 /nfs/dbraw/zinc/14/72/15/1020147215.db2.gz XOTLOPMVJQFSGV-UHFFFAOYSA-N 1 1 307.800 3.833 20 30 DHEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1Cc1cccc(C#N)c1 ZINC000731891725 1020163421 /nfs/dbraw/zinc/16/34/21/1020163421.db2.gz CMLZENYMUSWIBC-QINHECLXSA-N 1 1 306.409 3.909 20 30 DHEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1cccc(C#N)c1 ZINC000731891725 1020163432 /nfs/dbraw/zinc/16/34/32/1020163432.db2.gz CMLZENYMUSWIBC-QINHECLXSA-N 1 1 306.409 3.909 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000186290233 1020208009 /nfs/dbraw/zinc/20/80/09/1020208009.db2.gz JSQXHNWGRIKVOG-UHFFFAOYSA-N 1 1 301.393 3.906 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000186290233 1020208017 /nfs/dbraw/zinc/20/80/17/1020208017.db2.gz JSQXHNWGRIKVOG-UHFFFAOYSA-N 1 1 301.393 3.906 20 30 DHEDMO Cc1cc([C@H]2C[N@H+](Cc3ccc(C#N)cc3C)CCO2)ccc1F ZINC000186315781 1020236005 /nfs/dbraw/zinc/23/60/05/1020236005.db2.gz XSOWLHAIDMNNEN-HXUWFJFHSA-N 1 1 324.399 3.888 20 30 DHEDMO Cc1cc([C@H]2C[N@@H+](Cc3ccc(C#N)cc3C)CCO2)ccc1F ZINC000186315781 1020236013 /nfs/dbraw/zinc/23/60/13/1020236013.db2.gz XSOWLHAIDMNNEN-HXUWFJFHSA-N 1 1 324.399 3.888 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000186315809 1020236103 /nfs/dbraw/zinc/23/61/03/1020236103.db2.gz DASQKGFRVYKZJV-UHFFFAOYSA-N 1 1 321.380 3.940 20 30 DHEDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](O)c1ccc(C#N)cc1 ZINC000282392269 1020297633 /nfs/dbraw/zinc/29/76/33/1020297633.db2.gz GWKDNSFGLWUMAC-HXUWFJFHSA-N 1 1 324.424 3.600 20 30 DHEDMO N#CCC[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccccc1 ZINC000130574627 1032891358 /nfs/dbraw/zinc/89/13/58/1032891358.db2.gz YPLTVVARKKEYTR-GOSISDBHSA-N 1 1 322.408 3.983 20 30 DHEDMO C#CCC[NH2+][C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000733321988 1020370444 /nfs/dbraw/zinc/37/04/44/1020370444.db2.gz KXLOQFJXLYFOIB-LJQANCHMSA-N 1 1 302.377 3.705 20 30 DHEDMO CO[C@@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000733329822 1020375926 /nfs/dbraw/zinc/37/59/26/1020375926.db2.gz LVZJRMGZTKPFLL-JTQLQIEISA-N 1 1 319.220 3.511 20 30 DHEDMO CCC(C)(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000156745086 1020376936 /nfs/dbraw/zinc/37/69/36/1020376936.db2.gz MGBWDVVXOSMLCL-QGZVFWFLSA-N 1 1 313.445 3.787 20 30 DHEDMO Cc1cc(C#N)ccc1CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310406527 1020393417 /nfs/dbraw/zinc/39/34/17/1020393417.db2.gz LSMDNGMHLGIBQZ-NRFANRHFSA-N 1 1 319.452 3.573 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000310406527 1020393431 /nfs/dbraw/zinc/39/34/31/1020393431.db2.gz LSMDNGMHLGIBQZ-NRFANRHFSA-N 1 1 319.452 3.573 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000310406527 1020393441 /nfs/dbraw/zinc/39/34/41/1020393441.db2.gz LSMDNGMHLGIBQZ-NRFANRHFSA-N 1 1 319.452 3.573 20 30 DHEDMO CCCN(CCC)C(=O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000097153527 1020404670 /nfs/dbraw/zinc/40/46/70/1020404670.db2.gz DBYPMBJWOWEFQC-INIZCTEOSA-N 1 1 315.461 3.590 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(F)c(OC)c1)c1ccc(Cl)cc1 ZINC001117682182 1020445174 /nfs/dbraw/zinc/44/51/74/1020445174.db2.gz DWMQRCCCBYTGMR-MRXNPFEDSA-N 1 1 303.764 3.952 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000347959307 1020466644 /nfs/dbraw/zinc/46/66/44/1020466644.db2.gz PUTMYSDFCFHXPR-UHFFFAOYSA-N 1 1 319.364 3.756 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC001171840488 1032903968 /nfs/dbraw/zinc/90/39/68/1032903968.db2.gz COKCPLKJWSNAJH-GOEBONIOSA-N 1 1 320.864 3.633 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2csc(C#N)c2)C1 ZINC000921690755 1020472567 /nfs/dbraw/zinc/47/25/67/1020472567.db2.gz DILLLZSGVRPCIY-PBHICJAKSA-N 1 1 311.454 3.545 20 30 DHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCc2csc(C#N)c2)C1 ZINC000921690755 1020472573 /nfs/dbraw/zinc/47/25/73/1020472573.db2.gz DILLLZSGVRPCIY-PBHICJAKSA-N 1 1 311.454 3.545 20 30 DHEDMO FC(F)(F)C1CCC(=[NH+]n2cc(Br)cn2)CC1 ZINC000766025013 1020474153 /nfs/dbraw/zinc/47/41/53/1020474153.db2.gz LAYVSFSVAMYLHT-UHFFFAOYSA-N 1 1 310.117 3.602 20 30 DHEDMO CCCC[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000216454950 1020520331 /nfs/dbraw/zinc/52/03/31/1020520331.db2.gz XFPRBKYARGFSAS-GFCCVEGCSA-N 1 1 307.825 3.661 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc(C#N)cc1F ZINC000301870026 1020521598 /nfs/dbraw/zinc/52/15/98/1020521598.db2.gz FIYAYHSKSGKWJV-INIZCTEOSA-N 1 1 323.415 3.798 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc(C#N)cc1F ZINC000301870029 1020522591 /nfs/dbraw/zinc/52/25/91/1020522591.db2.gz FIYAYHSKSGKWJV-MRXNPFEDSA-N 1 1 323.415 3.798 20 30 DHEDMO CC[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCCc2cccnc21 ZINC000365001151 1020537606 /nfs/dbraw/zinc/53/76/06/1020537606.db2.gz RYBWKJQOJFQINJ-SFHVURJKSA-N 1 1 309.388 3.992 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCCc2cccnc21 ZINC000365001151 1020537612 /nfs/dbraw/zinc/53/76/12/1020537612.db2.gz RYBWKJQOJFQINJ-SFHVURJKSA-N 1 1 309.388 3.992 20 30 DHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C1 ZINC000337172663 1032910144 /nfs/dbraw/zinc/91/01/44/1032910144.db2.gz GRBLJKXVAOFWEY-CVEARBPZSA-N 1 1 310.507 3.693 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000303698688 1020591970 /nfs/dbraw/zinc/59/19/70/1020591970.db2.gz ASSCVGLWLNUNLN-HNNXBMFYSA-N 1 1 322.880 3.627 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1csc([N+](=O)[O-])c1 ZINC000065959494 1020605128 /nfs/dbraw/zinc/60/51/28/1020605128.db2.gz GDIUIHVMXWEBCA-UHFFFAOYSA-N 1 1 302.399 3.887 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1csc([N+](=O)[O-])c1 ZINC000065959494 1020605135 /nfs/dbraw/zinc/60/51/35/1020605135.db2.gz GDIUIHVMXWEBCA-UHFFFAOYSA-N 1 1 302.399 3.887 20 30 DHEDMO C[N@H+]1CC[C@H](CNc2c(C#N)cccc2C#N)[C@@H]1c1cccs1 ZINC000365462785 1020635689 /nfs/dbraw/zinc/63/56/89/1020635689.db2.gz PYVJTAXGOOUVLJ-CRAIPNDOSA-N 1 1 322.437 3.596 20 30 DHEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337198117 1032915495 /nfs/dbraw/zinc/91/54/95/1032915495.db2.gz ZIXQECHNIPCJNZ-IRXDYDNUSA-N 1 1 322.493 3.612 20 30 DHEDMO C[C@@H](c1cccc(NCc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000264376182 1032919256 /nfs/dbraw/zinc/91/92/56/1032919256.db2.gz MXDNNOGJBLAGCI-INIZCTEOSA-N 1 1 321.424 3.564 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)[C@H](C)c2ccco2)cc(OC)c1O ZINC000131065890 1032920158 /nfs/dbraw/zinc/92/01/58/1032920158.db2.gz XEMUJWMMCQBVHG-CYBMUJFWSA-N 1 1 301.386 3.915 20 30 DHEDMO COC1CCC([N@@H+](C)Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735311296 1020720596 /nfs/dbraw/zinc/72/05/96/1020720596.db2.gz NHZVETWYTWGQEP-UHFFFAOYSA-N 1 1 322.836 3.632 20 30 DHEDMO Fc1cc(Br)ccc1C[NH2+]CC#Cc1ccccc1 ZINC000736354988 1020810819 /nfs/dbraw/zinc/81/08/19/1020810819.db2.gz AWBZTXNKSPNBCK-UHFFFAOYSA-N 1 1 318.189 3.730 20 30 DHEDMO C=CCCC[N@@H+](C)Cn1ccn(-c2ccc(OC)cc2)c1=S ZINC000736582941 1020822912 /nfs/dbraw/zinc/82/29/12/1020822912.db2.gz LJLCELXRZWCDNL-UHFFFAOYSA-N 1 1 317.458 3.872 20 30 DHEDMO C=CCCC[N@H+](C)Cn1ccn(-c2ccc(OC)cc2)c1=S ZINC000736582941 1020822918 /nfs/dbraw/zinc/82/29/18/1020822918.db2.gz LJLCELXRZWCDNL-UHFFFAOYSA-N 1 1 317.458 3.872 20 30 DHEDMO COc1ccc(-c2nc(CO[NH+]=C(N)CCC(C)C)co2)cc1 ZINC000066374319 1020831907 /nfs/dbraw/zinc/83/19/07/1020831907.db2.gz WOOLEDPYNFLUAR-UHFFFAOYSA-N 1 1 317.389 3.575 20 30 DHEDMO Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccc(OCC#N)cc2)cc1 ZINC000738330734 1020869343 /nfs/dbraw/zinc/86/93/43/1020869343.db2.gz IUWKGXWGKMPVKQ-QGZVFWFLSA-N 1 1 308.425 3.960 20 30 DHEDMO Cc1ccnc(N=NCC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000755904463 1020888355 /nfs/dbraw/zinc/88/83/55/1020888355.db2.gz BYFAGUJDMNMEIR-UHFFFAOYSA-N 1 1 310.445 3.946 20 30 DHEDMO C=C1CCN(C(=O)c2ccc(C[N@H+](CC)CCC)cc2)CC1 ZINC000264497232 1032945026 /nfs/dbraw/zinc/94/50/26/1032945026.db2.gz PBPMKFWKNQJUBB-UHFFFAOYSA-N 1 1 300.446 3.711 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000740878370 1020958081 /nfs/dbraw/zinc/95/80/81/1020958081.db2.gz BXFVQOAOICKWIX-INIZCTEOSA-N 1 1 300.450 3.879 20 30 DHEDMO CCCCCCC[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000740874379 1020958979 /nfs/dbraw/zinc/95/89/79/1020958979.db2.gz GOIBTDHTMZWBCW-UHFFFAOYSA-N 1 1 320.452 3.944 20 30 DHEDMO CC1(C)C[C@@H](N2CCC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001171988804 1032946605 /nfs/dbraw/zinc/94/66/05/1032946605.db2.gz VXNGOIYAQJGRHU-OALUTQOASA-N 1 1 311.473 3.665 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000613474156 1020982008 /nfs/dbraw/zinc/98/20/08/1020982008.db2.gz PZMWPWIEWBRIFK-LJQANCHMSA-N 1 1 314.473 3.508 20 30 DHEDMO CC(C)C[N@@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000264493899 1032942890 /nfs/dbraw/zinc/94/28/90/1032942890.db2.gz TYLNSWDVRPMDAM-CQSZACIVSA-N 1 1 319.474 3.607 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000613486500 1020993561 /nfs/dbraw/zinc/99/35/61/1020993561.db2.gz RASUHSKSEZSARA-AWEZNQCLSA-N 1 1 308.853 3.757 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000613486500 1020993570 /nfs/dbraw/zinc/99/35/70/1020993570.db2.gz RASUHSKSEZSARA-AWEZNQCLSA-N 1 1 308.853 3.757 20 30 DHEDMO COc1ccccc1CC[N@@H+](C)Cc1cccc(C#N)c1Cl ZINC001140809854 1021033559 /nfs/dbraw/zinc/03/35/59/1021033559.db2.gz KIAQGULXHDRUKI-UHFFFAOYSA-N 1 1 314.816 3.895 20 30 DHEDMO COc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)cc1Cl ZINC000742382005 1021108911 /nfs/dbraw/zinc/10/89/11/1021108911.db2.gz WZNRIQGQPSBKCF-UHFFFAOYSA-N 1 1 304.752 3.649 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+](C)[C@H]2CCC[C@H](C)C2)c(C#N)c1C ZINC000177023692 1021191020 /nfs/dbraw/zinc/19/10/20/1021191020.db2.gz QNFKBZHLTPIKAL-FZMZJTMJSA-N 1 1 319.474 3.686 20 30 DHEDMO COc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c(C(F)(F)F)c1 ZINC001143478705 1021205237 /nfs/dbraw/zinc/20/52/37/1021205237.db2.gz KXUGXFGTBMOZAJ-GFCCVEGCSA-N 1 1 312.335 3.840 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(C(F)(F)F)c1 ZINC001143478705 1021205247 /nfs/dbraw/zinc/20/52/47/1021205247.db2.gz KXUGXFGTBMOZAJ-GFCCVEGCSA-N 1 1 312.335 3.840 20 30 DHEDMO C#CCOc1ccccc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000917176300 1021211366 /nfs/dbraw/zinc/21/13/66/1021211366.db2.gz UFMZHXHRKVCEDF-UHFFFAOYSA-N 1 1 316.404 3.735 20 30 DHEDMO C[C@@H]([N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1(C)CC1 ZINC000177247676 1021235472 /nfs/dbraw/zinc/23/54/72/1021235472.db2.gz GOYIJQCBVJYOOA-GFCCVEGCSA-N 1 1 319.836 3.661 20 30 DHEDMO CC1(C)C[C@@H](NC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977357 1032967032 /nfs/dbraw/zinc/96/70/32/1032967032.db2.gz AYAISQVRJNUHBS-SFHVURJKSA-N 1 1 311.473 3.856 20 30 DHEDMO C(#CC1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1)c1ccccc1 ZINC001137048996 1021310201 /nfs/dbraw/zinc/31/02/01/1021310201.db2.gz UCCLTUGXFVBLDC-UHFFFAOYSA-N 1 1 315.420 3.827 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000264562391 1032974276 /nfs/dbraw/zinc/97/42/76/1032974276.db2.gz OVDCRMUPNYNFPF-MRXNPFEDSA-N 1 1 310.372 3.718 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CC1(Cl)Cl ZINC000917973105 1021411096 /nfs/dbraw/zinc/41/10/96/1021411096.db2.gz KZNSOCZHBJZMHE-CYBMUJFWSA-N 1 1 300.229 3.877 20 30 DHEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000181976350 1021412163 /nfs/dbraw/zinc/41/21/63/1021412163.db2.gz PSMPSTJZBDIULQ-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000618547846 1021419270 /nfs/dbraw/zinc/41/92/70/1021419270.db2.gz OFZOSWVTRKBXRN-GOSISDBHSA-N 1 1 308.466 3.618 20 30 DHEDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000189721358 1021429235 /nfs/dbraw/zinc/42/92/35/1021429235.db2.gz KZDZHORKMBNSOW-FQEVSTJZSA-N 1 1 308.425 3.721 20 30 DHEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cccc(OC3CC3)c2F)c1 ZINC000850162848 1021430837 /nfs/dbraw/zinc/43/08/37/1021430837.db2.gz VLPDUXCCXJKJPN-UHFFFAOYSA-N 1 1 314.335 3.667 20 30 DHEDMO C=CCN(C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)C(C)C ZINC000918060385 1021435768 /nfs/dbraw/zinc/43/57/68/1021435768.db2.gz KJJUQHLPHAQFSU-MRXNPFEDSA-N 1 1 323.868 3.549 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000618742202 1021502599 /nfs/dbraw/zinc/50/25/99/1021502599.db2.gz UATHARZVORQTOS-IBGZPJMESA-N 1 1 314.392 3.725 20 30 DHEDMO COc1cccc(-c2nc(CO[NH+]=C(N)CC(C)C)cs2)c1 ZINC000109317065 1021505508 /nfs/dbraw/zinc/50/55/08/1021505508.db2.gz FTBVXRCUIIBCER-UHFFFAOYSA-N 1 1 319.430 3.654 20 30 DHEDMO CCC[N@@H+](CCCCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000152615399 1021515826 /nfs/dbraw/zinc/51/58/26/1021515826.db2.gz BFTSAIKIDJVHFO-UHFFFAOYSA-N 1 1 323.481 3.792 20 30 DHEDMO N#Cc1ccc(CN2CCC[N@H+]([C@H]3C=CCCCCC3)CC2)cc1 ZINC000556103443 1021526193 /nfs/dbraw/zinc/52/61/93/1021526193.db2.gz CFKSJAXTOJOORK-NRFANRHFSA-N 1 1 323.484 3.955 20 30 DHEDMO O=C1C=C(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC001172062954 1032990022 /nfs/dbraw/zinc/99/00/22/1032990022.db2.gz UFIWBLXTKBVMHA-ACDBMABISA-N 1 1 324.468 3.799 20 30 DHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cnn(-c2ccccc2)c1 ZINC000850550330 1021597713 /nfs/dbraw/zinc/59/77/13/1021597713.db2.gz PCFPPGYRDFOORM-MRXNPFEDSA-N 1 1 308.429 3.997 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130080151 1021613858 /nfs/dbraw/zinc/61/38/58/1021613858.db2.gz FCGDGNVGCTYJPX-UHFFFAOYSA-N 1 1 301.390 3.889 20 30 DHEDMO CC[N@@H+](C[C@@H](O)c1cccc(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000918739610 1021640582 /nfs/dbraw/zinc/64/05/82/1021640582.db2.gz QKYCFFKTMUGRAP-AUUYWEPGSA-N 1 1 312.388 3.814 20 30 DHEDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619178978 1021672598 /nfs/dbraw/zinc/67/25/98/1021672598.db2.gz BILUQFAQDKQYPF-MAUKXSAKSA-N 1 1 300.446 3.613 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C(C)(C)C)[C@H]1CC[C@H](C#N)C1 ZINC000561030793 1021713635 /nfs/dbraw/zinc/71/36/35/1021713635.db2.gz HHFZRKYFNRHXRY-HOTGVXAUSA-N 1 1 300.446 3.987 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000556518073 1021751670 /nfs/dbraw/zinc/75/16/70/1021751670.db2.gz CTUBTUJYQWTION-SJORKVTESA-N 1 1 323.358 3.700 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)c1ccccc1F ZINC000122589118 1021753153 /nfs/dbraw/zinc/75/31/53/1021753153.db2.gz FXYXDCKSGCIMCS-IBGZPJMESA-N 1 1 315.388 3.556 20 30 DHEDMO N#CC1(CCC[N@H+]2CCCc3sccc3C2)CCOCC1 ZINC000619620375 1021812895 /nfs/dbraw/zinc/81/28/95/1021812895.db2.gz TWCHFHDGYUIMBG-UHFFFAOYSA-N 1 1 304.459 3.597 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+](CC(C)C)C2CCCC2)c1=S ZINC000746055992 1021836632 /nfs/dbraw/zinc/83/66/32/1021836632.db2.gz NXEJNBHZXQDTPB-UHFFFAOYSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCOc1ccc(CNCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000619772562 1021906103 /nfs/dbraw/zinc/90/61/03/1021906103.db2.gz OQVWPQJFQJZXER-QGZVFWFLSA-N 1 1 316.489 3.852 20 30 DHEDMO C=CCOc1ccc(CNCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000619772562 1021906110 /nfs/dbraw/zinc/90/61/10/1021906110.db2.gz OQVWPQJFQJZXER-QGZVFWFLSA-N 1 1 316.489 3.852 20 30 DHEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(C#N)cc1 ZINC000110033241 1021912683 /nfs/dbraw/zinc/91/26/83/1021912683.db2.gz KAWSCSKTGOIFIY-GQIGUUNPSA-N 1 1 306.409 3.909 20 30 DHEDMO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)c1 ZINC000925472707 1021915491 /nfs/dbraw/zinc/91/54/91/1021915491.db2.gz GCCMAVASHCLRBF-MRXNPFEDSA-N 1 1 315.779 3.913 20 30 DHEDMO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000195136573 1021921097 /nfs/dbraw/zinc/92/10/97/1021921097.db2.gz KLXQBNDKJZPKRD-XLIONFOSSA-N 1 1 319.452 3.731 20 30 DHEDMO C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000195136573 1021921104 /nfs/dbraw/zinc/92/11/04/1021921104.db2.gz KLXQBNDKJZPKRD-XLIONFOSSA-N 1 1 319.452 3.731 20 30 DHEDMO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000195136573 1021921116 /nfs/dbraw/zinc/92/11/16/1021921116.db2.gz KLXQBNDKJZPKRD-XLIONFOSSA-N 1 1 319.452 3.731 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C[C@H]2CCC(=O)O2)C(C)(C)C)cc1 ZINC000851811825 1022011395 /nfs/dbraw/zinc/01/13/95/1022011395.db2.gz XQSFPQGSJKXSBV-QGZVFWFLSA-N 1 1 317.429 3.558 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1ccnc(F)c1 ZINC000781134213 1022046288 /nfs/dbraw/zinc/04/62/88/1022046288.db2.gz WTTFFBZZRRAKIR-AWEZNQCLSA-N 1 1 312.392 3.531 20 30 DHEDMO C[C@]12CC[N@@H+](CCc3ccc(C#N)cc3)C[C@H]1C2(Cl)Cl ZINC000852024233 1022061942 /nfs/dbraw/zinc/06/19/42/1022061942.db2.gz UNWOMFHZPPYZJW-CABCVRRESA-N 1 1 309.240 3.616 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000852319628 1022104564 /nfs/dbraw/zinc/10/45/64/1022104564.db2.gz QPVSHCCRBARHHC-HOTGVXAUSA-N 1 1 321.424 3.792 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852319628 1022104572 /nfs/dbraw/zinc/10/45/72/1022104572.db2.gz QPVSHCCRBARHHC-HOTGVXAUSA-N 1 1 321.424 3.792 20 30 DHEDMO C[N@H+](Cc1cccc(O)c1)Cc1cc(Cl)ccc1OCC#N ZINC000746458306 1022111586 /nfs/dbraw/zinc/11/15/86/1022111586.db2.gz VTHINVPYFWFGEE-UHFFFAOYSA-N 1 1 316.788 3.580 20 30 DHEDMO C[N@@H+](Cc1cccc(O)c1)Cc1cc(Cl)ccc1OCC#N ZINC000746458306 1022111592 /nfs/dbraw/zinc/11/15/92/1022111592.db2.gz VTHINVPYFWFGEE-UHFFFAOYSA-N 1 1 316.788 3.580 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000076152812 1022116798 /nfs/dbraw/zinc/11/67/98/1022116798.db2.gz BIKFBPJKCNYJKT-VQTJNVASSA-N 1 1 301.393 3.830 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000076152812 1022116801 /nfs/dbraw/zinc/11/68/01/1022116801.db2.gz BIKFBPJKCNYJKT-VQTJNVASSA-N 1 1 301.393 3.830 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)c(F)c1 ZINC000195345837 1022131299 /nfs/dbraw/zinc/13/12/99/1022131299.db2.gz XFZSNCGSEPNVRN-AWEZNQCLSA-N 1 1 301.390 3.533 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccccc1Br ZINC000852685933 1022159985 /nfs/dbraw/zinc/15/99/85/1022159985.db2.gz MYNZTZPCLBLZKH-DVOMOZLQSA-N 1 1 322.246 3.666 20 30 DHEDMO CC(C)[C@H](C#N)N1CC[NH+](Cc2cccc(C(C)(C)C)c2)CC1 ZINC001168875656 1022171683 /nfs/dbraw/zinc/17/16/83/1022171683.db2.gz ZIHFIUJSHQFDAK-IBGZPJMESA-N 1 1 313.489 3.650 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC2COC(C)(C)OC2)cc1 ZINC001168909084 1022179251 /nfs/dbraw/zinc/17/92/51/1022179251.db2.gz REQZJSLGHGIGIL-GOSISDBHSA-N 1 1 316.445 3.573 20 30 DHEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](c1nc(C)cs1)C1CC1 ZINC000183546766 1022182610 /nfs/dbraw/zinc/18/26/10/1022182610.db2.gz RSGHNXBRAPTGKQ-MRXNPFEDSA-N 1 1 313.426 3.573 20 30 DHEDMO N#Cc1cccc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c1 ZINC000076181160 1022193966 /nfs/dbraw/zinc/19/39/66/1022193966.db2.gz MFOJNCHIEZCYJG-RYUDHWBXSA-N 1 1 322.252 3.731 20 30 DHEDMO C=CCOc1ccccc1[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108659 1022266487 /nfs/dbraw/zinc/26/64/87/1022266487.db2.gz USJNNBJGAXGHDQ-VQHPVUNQSA-N 1 1 300.446 3.527 20 30 DHEDMO C=CCCC[N@H+](C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000153981094 1022266556 /nfs/dbraw/zinc/26/65/56/1022266556.db2.gz UGSPGUFBMJQOGZ-CQSZACIVSA-N 1 1 301.352 3.507 20 30 DHEDMO C=CCOc1ccccc1[C@@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108660 1022267840 /nfs/dbraw/zinc/26/78/40/1022267840.db2.gz USJNNBJGAXGHDQ-WCXIOVBPSA-N 1 1 300.446 3.527 20 30 DHEDMO C[C@@]1(C#N)CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000853599016 1022296167 /nfs/dbraw/zinc/29/61/67/1022296167.db2.gz IUUJRSPGKVJPTI-IBGZPJMESA-N 1 1 310.397 3.753 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCOc1ccccc1C#N ZINC000609672296 1022325323 /nfs/dbraw/zinc/32/53/23/1022325323.db2.gz CVBXXNLFLBWAPA-VQIMIIECSA-N 1 1 306.409 3.815 20 30 DHEDMO C[C@H](C#N)C[N@@H+](C)CC/C=C/c1ccc(Br)cc1 ZINC000609766369 1022350822 /nfs/dbraw/zinc/35/08/22/1022350822.db2.gz CZVSEAFIZXSTRB-MASHWEEQSA-N 1 1 307.235 3.944 20 30 DHEDMO CC1(C)C[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1c1cccnc1 ZINC000854039982 1022395785 /nfs/dbraw/zinc/39/57/85/1022395785.db2.gz NOXJFIQWYCDHGX-GOSISDBHSA-N 1 1 307.397 3.567 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H]1c1cccnc1 ZINC000854039982 1022395802 /nfs/dbraw/zinc/39/58/02/1022395802.db2.gz NOXJFIQWYCDHGX-GOSISDBHSA-N 1 1 307.397 3.567 20 30 DHEDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000610003616 1022398131 /nfs/dbraw/zinc/39/81/31/1022398131.db2.gz BQOCVZJQJGTYGN-AWEZNQCLSA-N 1 1 310.372 3.695 20 30 DHEDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCOc1ccccc1C#N ZINC000610003899 1022398309 /nfs/dbraw/zinc/39/83/09/1022398309.db2.gz NNYGHFISHOTWRY-CQSZACIVSA-N 1 1 310.372 3.695 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 ZINC000854061744 1022400301 /nfs/dbraw/zinc/40/03/01/1022400301.db2.gz MEGXTVFGVSZONX-MRXNPFEDSA-N 1 1 322.456 3.949 20 30 DHEDMO CCC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000610133324 1022424149 /nfs/dbraw/zinc/42/41/49/1022424149.db2.gz FOHSFXXVVZVEQN-JQHSSLGASA-N 1 1 316.420 3.723 20 30 DHEDMO CC[NH+](CC)[C@@H](CNCc1cccc(C#N)c1)Cc1ccccc1 ZINC000236848277 1022468443 /nfs/dbraw/zinc/46/84/43/1022468443.db2.gz ONLMXHFGMBLYMQ-OAQYLSRUSA-N 1 1 321.468 3.601 20 30 DHEDMO Cc1nccc([C@@H]2CCC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000615438242 1022475230 /nfs/dbraw/zinc/47/52/30/1022475230.db2.gz SGNSOITVESMUFP-KBXCAEBGSA-N 1 1 306.413 3.597 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000179620823 1022494590 /nfs/dbraw/zinc/49/45/90/1022494590.db2.gz GKUJAQYTRXMKDI-OCCSQVGLSA-N 1 1 312.335 3.752 20 30 DHEDMO N#CC12CCC(Nc3[nH+]cnc4[nH]c5c(c43)CCCC5)(CC1)CC2 ZINC001169746467 1022520990 /nfs/dbraw/zinc/52/09/90/1022520990.db2.gz HQSXKXDUALRUJC-UHFFFAOYSA-N 1 1 321.428 3.865 20 30 DHEDMO Cc1cnc(CC[N@H+](C)CC#Cc2cccc(Cl)c2)s1 ZINC000157630934 1022560845 /nfs/dbraw/zinc/56/08/45/1022560845.db2.gz GZVGGJYSPOJXHE-UHFFFAOYSA-N 1 1 304.846 3.631 20 30 DHEDMO C=CC[C@@H](Nc1ccc([C@H]2CCC[N@H+]2CC=C)cc1)C(=O)OC ZINC001169844826 1022565397 /nfs/dbraw/zinc/56/53/97/1022565397.db2.gz NJBMBQVDJDGEIO-QZTJIDSGSA-N 1 1 314.429 3.539 20 30 DHEDMO C#CCCC[N@@H+]1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000766896588 1022606526 /nfs/dbraw/zinc/60/65/26/1022606526.db2.gz UJUUECFBXSFUPW-SFHVURJKSA-N 1 1 315.457 3.904 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H](C)C(C)C ZINC000120265968 1022620343 /nfs/dbraw/zinc/62/03/43/1022620343.db2.gz CEIKDTRBKAQJID-GFCCVEGCSA-N 1 1 307.825 3.517 20 30 DHEDMO CC(C)C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CCCC1 ZINC000584710678 1022646926 /nfs/dbraw/zinc/64/69/26/1022646926.db2.gz CRBZWASCQQSOBL-UHFFFAOYSA-N 1 1 319.493 3.572 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(OC)ncc1Br ZINC000621322392 1022724260 /nfs/dbraw/zinc/72/42/60/1022724260.db2.gz UZJIQSZSSYFUTD-BETUJISGSA-N 1 1 323.234 3.536 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(OC)ncc1Br ZINC000621322392 1022724264 /nfs/dbraw/zinc/72/42/64/1022724264.db2.gz UZJIQSZSSYFUTD-BETUJISGSA-N 1 1 323.234 3.536 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001172307303 1033075756 /nfs/dbraw/zinc/07/57/56/1033075756.db2.gz NQYZDYHJIXLBPK-UTKZUKDTSA-N 1 1 320.436 3.780 20 30 DHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616772708 1022766048 /nfs/dbraw/zinc/76/60/48/1022766048.db2.gz XJNRYJRXNPIGGZ-GXFFZTMASA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616772708 1022766054 /nfs/dbraw/zinc/76/60/54/1022766054.db2.gz XJNRYJRXNPIGGZ-GXFFZTMASA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001172307991 1033078745 /nfs/dbraw/zinc/07/87/45/1033078745.db2.gz RXFRSPIMSQYEOU-LAUBAEHRSA-N 1 1 320.436 3.780 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC001172311682 1033079503 /nfs/dbraw/zinc/07/95/03/1033079503.db2.gz VUUIRKGEDISYSJ-QGZVFWFLSA-N 1 1 322.452 3.762 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@H+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172310077 1033079649 /nfs/dbraw/zinc/07/96/49/1033079649.db2.gz ZVGYMHKSDOQQLJ-VQIMIIECSA-N 1 1 320.436 3.987 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001172313180 1033082625 /nfs/dbraw/zinc/08/26/25/1033082625.db2.gz QXGQZRYMFKCDHO-LLGFUMIMSA-N 1 1 320.436 3.951 20 30 DHEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000617044210 1022836539 /nfs/dbraw/zinc/83/65/39/1022836539.db2.gz KAHFBFOFNNCPLN-OAGGEKHMSA-N 1 1 303.450 3.648 20 30 DHEDMO CSC[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000767906430 1022842209 /nfs/dbraw/zinc/84/22/09/1022842209.db2.gz NOCGKNZKFAOEJC-CQSZACIVSA-N 1 1 310.850 3.570 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000660279439 1022846075 /nfs/dbraw/zinc/84/60/75/1022846075.db2.gz FTBAYQREINENRL-HDICACEKSA-N 1 1 319.493 3.534 20 30 DHEDMO C#CCOc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000768257177 1022936381 /nfs/dbraw/zinc/93/63/81/1022936381.db2.gz IRFWMAAMINKQDR-UHFFFAOYSA-N 1 1 316.404 3.735 20 30 DHEDMO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=NO[C@H]2CCCCO2)C3)cc1 ZINC000768366544 1022951690 /nfs/dbraw/zinc/95/16/90/1022951690.db2.gz GXFQPIQVVUODLX-OTWHNJEPSA-N 1 1 314.429 3.713 20 30 DHEDMO N#CC1(C[NH2+]Cc2cnc(CCc3ccccc3)s2)CCC1 ZINC000418142315 1022976458 /nfs/dbraw/zinc/97/64/58/1022976458.db2.gz MTTJJIRCHSZLQO-UHFFFAOYSA-N 1 1 311.454 3.712 20 30 DHEDMO C=CC[N@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000768548084 1022992230 /nfs/dbraw/zinc/99/22/30/1022992230.db2.gz WDKMZRYKIXIPQY-UHFFFAOYSA-N 1 1 310.482 3.920 20 30 DHEDMO CC(C)[N@@H+](CCC#N)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768763054 1023014167 /nfs/dbraw/zinc/01/41/67/1023014167.db2.gz GYPUZNNYHKQYQN-UHFFFAOYSA-N 1 1 323.481 3.648 20 30 DHEDMO C=CCc1c(Cl)ncnc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001167752146 1023032768 /nfs/dbraw/zinc/03/27/68/1023032768.db2.gz SSAURBKPJFKWSN-ZDUSSCGKSA-N 1 1 308.857 3.535 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc2nc(C#N)ccc2c1 ZINC001167753444 1023042241 /nfs/dbraw/zinc/04/22/41/1023042241.db2.gz IRLJXCSHVCWHPF-HNNXBMFYSA-N 1 1 308.429 3.783 20 30 DHEDMO CC[N@H+](Cc1cc(OC)cnc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000876597606 1033100723 /nfs/dbraw/zinc/10/07/23/1033100723.db2.gz FHADYZYMNIZOJS-CYBMUJFWSA-N 1 1 313.376 3.684 20 30 DHEDMO CC[N@@H+](Cc1cc(OC)cnc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000876597606 1033100732 /nfs/dbraw/zinc/10/07/32/1033100732.db2.gz FHADYZYMNIZOJS-CYBMUJFWSA-N 1 1 313.376 3.684 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)COC2 ZINC000768936384 1023060225 /nfs/dbraw/zinc/06/02/25/1023060225.db2.gz CPMWOOFZYWAMGB-UHFFFAOYSA-N 1 1 309.409 3.914 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+](CC)CCc2ccccn2)cc1 ZINC000769036544 1023073917 /nfs/dbraw/zinc/07/39/17/1023073917.db2.gz MHKNEKIMHDCMQR-UHFFFAOYSA-N 1 1 308.425 3.548 20 30 DHEDMO C[C@@H](NCC(C)(C)[NH+]1CCCCC1)c1ccc(OCC#N)cc1 ZINC000181395576 1023080876 /nfs/dbraw/zinc/08/08/76/1023080876.db2.gz UFZROAAGBKKGGB-MRXNPFEDSA-N 1 1 315.461 3.504 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000769240869 1023105275 /nfs/dbraw/zinc/10/52/75/1023105275.db2.gz HAAODWICBQQSNA-ZWKOTPCHSA-N 1 1 312.438 3.708 20 30 DHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1CC[C@H](C)[C@@H](C)C1)C2 ZINC001172372490 1033106900 /nfs/dbraw/zinc/10/69/00/1033106900.db2.gz IOAHPNSHQOHDKM-CENDIDJXSA-N 1 1 321.505 3.885 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000829810626 1023149782 /nfs/dbraw/zinc/14/97/82/1023149782.db2.gz SDKLWHOXQDEVMN-CYBMUJFWSA-N 1 1 300.427 3.540 20 30 DHEDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769482537 1023152489 /nfs/dbraw/zinc/15/24/89/1023152489.db2.gz FQKSKYPEOCTBCG-QGZVFWFLSA-N 1 1 319.452 3.983 20 30 DHEDMO Cc1ccc(C[NH+]2CCC(C#N)CC2)c(C)c1Br ZINC000876654087 1033114676 /nfs/dbraw/zinc/11/46/76/1033114676.db2.gz YQUAZIDTBCFANG-UHFFFAOYSA-N 1 1 307.235 3.802 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc2ccccc2[nH]c1=O ZINC000110105358 1023249675 /nfs/dbraw/zinc/24/96/75/1023249675.db2.gz XKQGDYVCOBSJPE-UHFFFAOYSA-N 1 1 310.422 3.778 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000769975373 1023254301 /nfs/dbraw/zinc/25/43/01/1023254301.db2.gz DWXNHANMKIOSLN-GOSISDBHSA-N 1 1 302.421 3.840 20 30 DHEDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876661341 1033117358 /nfs/dbraw/zinc/11/73/58/1033117358.db2.gz MVBUANWWMJLNHX-OAHLLOKOSA-N 1 1 311.816 3.905 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H]3C[C@@H]3c3ccccc3)CCO2)c1 ZINC000770390910 1023304322 /nfs/dbraw/zinc/30/43/22/1023304322.db2.gz MLCJIVMQDUYXKK-HBMCJLEFSA-N 1 1 318.420 3.735 20 30 DHEDMO CC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000859310614 1033122981 /nfs/dbraw/zinc/12/29/81/1033122981.db2.gz JPKFCBVUPLMVJE-OXJNMPFZSA-N 1 1 308.425 3.811 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000876695250 1033126895 /nfs/dbraw/zinc/12/68/95/1033126895.db2.gz VIHPCTKHMOXAJD-AWEZNQCLSA-N 1 1 315.779 3.735 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000876695250 1033126900 /nfs/dbraw/zinc/12/69/00/1033126900.db2.gz VIHPCTKHMOXAJD-AWEZNQCLSA-N 1 1 315.779 3.735 20 30 DHEDMO CCCCCCC[C@H](CC)[NH2+]C1(C(=O)OCC)CCOCC1 ZINC001172346627 1033130395 /nfs/dbraw/zinc/13/03/95/1033130395.db2.gz KPKZUTKQSDZEML-INIZCTEOSA-N 1 1 313.482 3.827 20 30 DHEDMO C=CC[C@@H]1CC[C@@H](Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000651658771 1023426609 /nfs/dbraw/zinc/42/66/09/1023426609.db2.gz HTNKXUFFHUHUQO-VQIMIIECSA-N 1 1 300.446 3.676 20 30 DHEDMO CCCCCCC[C@H](CC)[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC001172354187 1033137637 /nfs/dbraw/zinc/13/76/37/1033137637.db2.gz FQMKYVWBTASTGQ-IBGZPJMESA-N 1 1 323.569 3.837 20 30 DHEDMO C=CC[N@H+](Cc1nc(-c2ccsc2)oc1C)[C@H](C)COC ZINC000661243339 1023537461 /nfs/dbraw/zinc/53/74/61/1023537461.db2.gz JMVYGKVLFLMIHG-GFCCVEGCSA-N 1 1 306.431 3.734 20 30 DHEDMO C=CC[N@@H+](Cc1nc(-c2ccsc2)oc1C)[C@H](C)COC ZINC000661243339 1023537467 /nfs/dbraw/zinc/53/74/67/1023537467.db2.gz JMVYGKVLFLMIHG-GFCCVEGCSA-N 1 1 306.431 3.734 20 30 DHEDMO C=CC[N@@H+](Cc1cc(-c2ccc(C)cc2)no1)[C@H](C)COC ZINC000661245926 1023538833 /nfs/dbraw/zinc/53/88/33/1023538833.db2.gz FBARNMLFFGLFBT-OAHLLOKOSA-N 1 1 300.402 3.673 20 30 DHEDMO C=CC[N@H+](Cc1nc(-c2ccccc2)oc1C)[C@@H](C)COC ZINC000661248663 1023541817 /nfs/dbraw/zinc/54/18/17/1023541817.db2.gz WQSQBUCAOAVFRD-AWEZNQCLSA-N 1 1 300.402 3.673 20 30 DHEDMO C=CC[N@@H+](Cc1nc(-c2ccccc2)oc1C)[C@@H](C)COC ZINC000661248663 1023541822 /nfs/dbraw/zinc/54/18/22/1023541822.db2.gz WQSQBUCAOAVFRD-AWEZNQCLSA-N 1 1 300.402 3.673 20 30 DHEDMO C#CC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@H]1CCc2ccccc21 ZINC000772599302 1023576840 /nfs/dbraw/zinc/57/68/40/1023576840.db2.gz PDFPQASOSUOZQE-FQEVSTJZSA-N 1 1 316.404 3.690 20 30 DHEDMO C#CC[N@@H+](Cc1ccc2c(c1)COC2)[C@@H]1CCc2ccccc21 ZINC000772600706 1023578165 /nfs/dbraw/zinc/57/81/65/1023578165.db2.gz XEAJGSRMMUGEMX-OAQYLSRUSA-N 1 1 303.405 3.840 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2F)C1 ZINC000661378784 1023585114 /nfs/dbraw/zinc/58/51/14/1023585114.db2.gz MAEPFYBUYYTICL-QWHCGFSZSA-N 1 1 308.372 3.580 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2F)C1 ZINC000661378784 1023585115 /nfs/dbraw/zinc/58/51/15/1023585115.db2.gz MAEPFYBUYYTICL-QWHCGFSZSA-N 1 1 308.372 3.580 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCO[C@@](C)(CC)C2)c1O ZINC000785511841 1023586026 /nfs/dbraw/zinc/58/60/26/1023586026.db2.gz JILQHAPSPRMVFW-IBGZPJMESA-N 1 1 319.445 3.520 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000661385726 1023586426 /nfs/dbraw/zinc/58/64/26/1023586426.db2.gz PGUFXXPGZAKENA-WMLDXEAASA-N 1 1 316.470 3.778 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+]([C@H](C)c2nnnn2C2CCCCC2)C1 ZINC000661384622 1023586729 /nfs/dbraw/zinc/58/67/29/1023586729.db2.gz KABDITMFLKCSDN-HUUCEWRRSA-N 1 1 303.454 3.527 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)c2nnnn2C2CCCCC2)C1 ZINC000661384622 1023586734 /nfs/dbraw/zinc/58/67/34/1023586734.db2.gz KABDITMFLKCSDN-HUUCEWRRSA-N 1 1 303.454 3.527 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000661385725 1023586747 /nfs/dbraw/zinc/58/67/47/1023586747.db2.gz PGUFXXPGZAKENA-RHSMWYFYSA-N 1 1 316.470 3.778 20 30 DHEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000337715805 1033150230 /nfs/dbraw/zinc/15/02/30/1033150230.db2.gz RAXYRVWIZSRQFQ-MRXNPFEDSA-N 1 1 323.415 3.576 20 30 DHEDMO C=CC[N@H+](Cc1cnc2ccc(C#N)cn12)CC1CCCCC1 ZINC000538731103 1033152533 /nfs/dbraw/zinc/15/25/33/1033152533.db2.gz ZELMSGDXLIIGMK-UHFFFAOYSA-N 1 1 308.429 3.774 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)c1 ZINC000066899692 1023707012 /nfs/dbraw/zinc/70/70/12/1023707012.db2.gz ZZJCFMNLTWTWLB-SFHVURJKSA-N 1 1 320.392 3.667 20 30 DHEDMO C=CC[N@@H+](Cc1nc(=O)c2c(C)c(C)sc2[nH]1)C(C)(C)C ZINC000661757027 1023732482 /nfs/dbraw/zinc/73/24/82/1023732482.db2.gz BTIANKIYMBFTEP-UHFFFAOYSA-N 1 1 305.447 3.800 20 30 DHEDMO C=CC[N@H+](Cc1nc(=O)c2c(C)c(C)sc2[nH]1)C(C)(C)C ZINC000661757027 1023732487 /nfs/dbraw/zinc/73/24/87/1023732487.db2.gz BTIANKIYMBFTEP-UHFFFAOYSA-N 1 1 305.447 3.800 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)c1ccc(F)cc1C ZINC000746663588 1023777715 /nfs/dbraw/zinc/77/77/15/1023777715.db2.gz RXUBHYUTAAQWLU-FQEVSTJZSA-N 1 1 324.399 3.727 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000598586204 1023854553 /nfs/dbraw/zinc/85/45/53/1023854553.db2.gz QGABJMOVEINLAD-BBRMVZONSA-N 1 1 306.837 3.778 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000662079195 1023888567 /nfs/dbraw/zinc/88/85/67/1023888567.db2.gz IACWXRALMCXAPQ-YTQUADARSA-N 1 1 312.457 3.525 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(Cc1ccccc1)C(C)C ZINC000662081574 1023889354 /nfs/dbraw/zinc/88/93/54/1023889354.db2.gz VCKDAFYOGQBCST-KDURUIRLSA-N 1 1 312.457 3.607 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cccc2ccccc21 ZINC000662086032 1023892770 /nfs/dbraw/zinc/89/27/70/1023892770.db2.gz OMCKDNWXMCJIAS-CALCHBBNSA-N 1 1 306.409 3.961 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000662086294 1023894862 /nfs/dbraw/zinc/89/48/62/1023894862.db2.gz QIUVHHKODPMWHI-OIISXLGYSA-N 1 1 314.429 3.595 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2cc(Cl)ccc2n1C ZINC000662087840 1023898857 /nfs/dbraw/zinc/89/88/57/1023898857.db2.gz MWKUFMUZYFFWIP-OKILXGFUSA-N 1 1 301.821 3.910 20 30 DHEDMO CC(C)CCC[C@@H](C)[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001170087763 1023922630 /nfs/dbraw/zinc/92/26/30/1023922630.db2.gz LKMRUYFUKPCLBB-QGZVFWFLSA-N 1 1 314.477 3.680 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc2c1OCO2 ZINC000093872230 1023942289 /nfs/dbraw/zinc/94/22/89/1023942289.db2.gz GLEYTPJTUCPELF-ZWKOTPCHSA-N 1 1 320.392 3.687 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc2c1OCO2 ZINC000093872230 1023942295 /nfs/dbraw/zinc/94/22/95/1023942295.db2.gz GLEYTPJTUCPELF-ZWKOTPCHSA-N 1 1 320.392 3.687 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1c1ccc(NCc2ccc(C#N)c(F)c2)nc1 ZINC001170090747 1023942804 /nfs/dbraw/zinc/94/28/04/1023942804.db2.gz OLWOBQJWLWXMHV-GOSISDBHSA-N 1 1 324.403 3.861 20 30 DHEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093870930 1023942977 /nfs/dbraw/zinc/94/29/77/1023942977.db2.gz XXVPIYHNEIGDNB-CABCVRRESA-N 1 1 306.475 3.941 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](CCCO)C2)cc1 ZINC000452136938 1023983646 /nfs/dbraw/zinc/98/36/46/1023983646.db2.gz ZFMXPJFZSWYXBF-QGZVFWFLSA-N 1 1 320.436 3.820 20 30 DHEDMO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000127384105 1024043625 /nfs/dbraw/zinc/04/36/25/1024043625.db2.gz BGOUPGSOTKLLEB-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(Cl)c1 ZINC000127384105 1024043639 /nfs/dbraw/zinc/04/36/39/1024043639.db2.gz BGOUPGSOTKLLEB-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO CCC[C@H](C)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000266913305 1024046822 /nfs/dbraw/zinc/04/68/22/1024046822.db2.gz MDYHRNITGDIMAB-HNNXBMFYSA-N 1 1 311.429 3.858 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(Cl)cc2C)n1 ZINC000789328710 1024048414 /nfs/dbraw/zinc/04/84/14/1024048414.db2.gz FPANSIWXDIVEEM-UHFFFAOYSA-N 1 1 301.821 3.500 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(Cl)cc2C)n1 ZINC000789328710 1024048428 /nfs/dbraw/zinc/04/84/28/1024048428.db2.gz FPANSIWXDIVEEM-UHFFFAOYSA-N 1 1 301.821 3.500 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)Cc2cc3ccccc3s2)n1 ZINC000789330216 1024053636 /nfs/dbraw/zinc/05/36/36/1024053636.db2.gz ZRSOJZQDSSDSEQ-UHFFFAOYSA-N 1 1 309.438 3.753 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cc3ccccc3s2)n1 ZINC000789330216 1024053655 /nfs/dbraw/zinc/05/36/55/1024053655.db2.gz ZRSOJZQDSSDSEQ-UHFFFAOYSA-N 1 1 309.438 3.753 20 30 DHEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000447400635 1024140605 /nfs/dbraw/zinc/14/06/05/1024140605.db2.gz QLXKTKKTXXIRNM-LJQANCHMSA-N 1 1 311.429 3.592 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000268676158 1024140839 /nfs/dbraw/zinc/14/08/39/1024140839.db2.gz LJJKMRZUHDZFQG-LJQANCHMSA-N 1 1 310.397 3.629 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(CC#N)cc1Cl ZINC000452654884 1024148009 /nfs/dbraw/zinc/14/80/09/1024148009.db2.gz RKERIDZOPHIVNH-ZDUSSCGKSA-N 1 1 319.836 3.609 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)[C@H]1CCc2ccccc21 ZINC000789725232 1024156852 /nfs/dbraw/zinc/15/68/52/1024156852.db2.gz YEHAXZHFDZFPEC-IBGZPJMESA-N 1 1 317.392 3.792 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1Cl ZINC000268832793 1024174455 /nfs/dbraw/zinc/17/44/55/1024174455.db2.gz KWLWFZLXMYFZDQ-HNNXBMFYSA-N 1 1 317.820 3.795 20 30 DHEDMO CCC[C@@]1(C)CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000330923683 1024202454 /nfs/dbraw/zinc/20/24/54/1024202454.db2.gz DPDOJIXGRKNPEH-KRWDZBQOSA-N 1 1 319.474 3.851 20 30 DHEDMO C=C(Br)C[NH2+]C(C)(C)c1ccc(OC)c(F)c1 ZINC000859641072 1033193520 /nfs/dbraw/zinc/19/35/20/1033193520.db2.gz ALBLMBASVVOSHT-UHFFFAOYSA-N 1 1 302.187 3.568 20 30 DHEDMO Cc1cccnc1N=NC1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000790189640 1024238907 /nfs/dbraw/zinc/23/89/07/1024238907.db2.gz BFQYBWBGYGEMJX-OAHLLOKOSA-N 1 1 308.429 3.700 20 30 DHEDMO CCc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(C#N)cc1F ZINC000269431589 1024279605 /nfs/dbraw/zinc/27/96/05/1024279605.db2.gz PVPYHOYKMVAERT-GOSISDBHSA-N 1 1 310.372 3.873 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000269688225 1024304486 /nfs/dbraw/zinc/30/44/86/1024304486.db2.gz VRLVMWVIPSNAJI-PMACEKPBSA-N 1 1 324.399 3.785 20 30 DHEDMO N#CCC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453210402 1024403454 /nfs/dbraw/zinc/40/34/54/1024403454.db2.gz JLUTZBVWNCRFRX-XUVXKRRUSA-N 1 1 323.484 3.713 20 30 DHEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001253233385 1024444715 /nfs/dbraw/zinc/44/47/15/1024444715.db2.gz DBMPMOAHGVMTFX-HUUCEWRRSA-N 1 1 307.400 3.943 20 30 DHEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001253233386 1024444401 /nfs/dbraw/zinc/44/44/01/1024444401.db2.gz DBMPMOAHGVMTFX-LSDHHAIUSA-N 1 1 307.400 3.943 20 30 DHEDMO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000271058320 1024452446 /nfs/dbraw/zinc/45/24/46/1024452446.db2.gz VBUWSUMTMHUIMO-UHFFFAOYSA-N 1 1 310.445 3.759 20 30 DHEDMO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000271058320 1024452450 /nfs/dbraw/zinc/45/24/50/1024452450.db2.gz VBUWSUMTMHUIMO-UHFFFAOYSA-N 1 1 310.445 3.759 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+](C[C@H](O)c1cccc(C#N)c1)C1CC1 ZINC001170151845 1024460578 /nfs/dbraw/zinc/46/05/78/1024460578.db2.gz ZERWAAKPWWORDH-QRWLVFNGSA-N 1 1 306.409 3.817 20 30 DHEDMO CC(C)OCC[C@@H](C)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001172458087 1033213762 /nfs/dbraw/zinc/21/37/62/1033213762.db2.gz XVYLVJOVFZONMI-APWZRJJASA-N 1 1 316.445 3.605 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000453369974 1024492828 /nfs/dbraw/zinc/49/28/28/1024492828.db2.gz NMXNMYQTYWBWRJ-NYLDSWQDSA-N 1 1 324.468 3.893 20 30 DHEDMO Cc1ccc([C@@H]2CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)c(C)c1 ZINC000791606111 1024533438 /nfs/dbraw/zinc/53/34/38/1024533438.db2.gz QNRJAHJLYJJHAX-CTNGQTDRSA-N 1 1 320.436 3.698 20 30 DHEDMO CCn1c(C[NH2+][C@@H](C)c2ccc(C#N)cc2)nc2c1cccc2F ZINC000271623380 1024553036 /nfs/dbraw/zinc/55/30/36/1024553036.db2.gz DCYIAIQXQBJKHC-ZDUSSCGKSA-N 1 1 322.387 3.918 20 30 DHEDMO N#C[C@@H](c1ccc(Cl)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000585719749 1024574421 /nfs/dbraw/zinc/57/44/21/1024574421.db2.gz MWPQCHYQTQWMKE-HNNXBMFYSA-N 1 1 300.793 3.507 20 30 DHEDMO C#CC[C@H]([NH2+]Cc1nn(CC)c2ccccc12)c1ccccc1 ZINC000274458749 1024579355 /nfs/dbraw/zinc/57/93/55/1024579355.db2.gz SLKURHSXICDFGC-SFHVURJKSA-N 1 1 303.409 3.910 20 30 DHEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CCOc2ccc(C#N)cc2)s1 ZINC000106876501 1024606724 /nfs/dbraw/zinc/60/67/24/1024606724.db2.gz DXRPLMZOSKUSCH-ZDUSSCGKSA-N 1 1 315.442 3.703 20 30 DHEDMO CCCC#CC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C[C@@H](CC)CCCC ZINC001274655557 1024613163 /nfs/dbraw/zinc/61/31/63/1024613163.db2.gz SKXCBPVXWYSHEB-FHWLQOOXSA-N 1 1 318.505 3.682 20 30 DHEDMO C=CCCC[N@H+](CCC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000117883599 1024616667 /nfs/dbraw/zinc/61/66/67/1024616667.db2.gz RCBMMECOUCXHHZ-UHFFFAOYSA-N 1 1 316.493 3.740 20 30 DHEDMO CO[C@H](C)C[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000348837037 1024628016 /nfs/dbraw/zinc/62/80/16/1024628016.db2.gz ZMQOXPSXKLICEE-MRXNPFEDSA-N 1 1 324.424 3.604 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001172495043 1033225469 /nfs/dbraw/zinc/22/54/69/1033225469.db2.gz AZYIKFRJKMDJLN-YJBOKZPZSA-N 1 1 321.465 3.544 20 30 DHEDMO C=C(C)C[N@@H+](C/C=C/c1ccncc1)Cc1cnn(C(C)C)c1 ZINC000348875646 1024639026 /nfs/dbraw/zinc/63/90/26/1024639026.db2.gz LBNFNDRRTUVJBX-AATRIKPKSA-N 1 1 310.445 3.951 20 30 DHEDMO C=C(C)C[N@H+](C/C=C/c1ccncc1)Cc1cnn(C(C)C)c1 ZINC000348875646 1024639032 /nfs/dbraw/zinc/63/90/32/1024639032.db2.gz LBNFNDRRTUVJBX-AATRIKPKSA-N 1 1 310.445 3.951 20 30 DHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC001170183829 1024685326 /nfs/dbraw/zinc/68/53/26/1024685326.db2.gz IQCGYQZPZHCHCT-MJGOQNOKSA-N 1 1 314.473 3.555 20 30 DHEDMO N#Cc1cccc([C@H](O)C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001170204540 1024688962 /nfs/dbraw/zinc/68/89/62/1024688962.db2.gz DCNOULQGQZCWHL-QZTJIDSGSA-N 1 1 312.800 3.692 20 30 DHEDMO N#Cc1cccc([C@H](O)C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001170204540 1024688968 /nfs/dbraw/zinc/68/89/68/1024688968.db2.gz DCNOULQGQZCWHL-QZTJIDSGSA-N 1 1 312.800 3.692 20 30 DHEDMO N#Cc1cccc([C@@H](O)C[N@H+]2Cc3ccccc3C3(CCC3)C2)c1 ZINC001170171988 1024689324 /nfs/dbraw/zinc/68/93/24/1024689324.db2.gz DJWJIWRTSKZSKG-FQEVSTJZSA-N 1 1 318.420 3.529 20 30 DHEDMO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1[C@H](C)CCCC#N ZINC001172497797 1033229196 /nfs/dbraw/zinc/22/91/96/1033229196.db2.gz GJOFHMFFMIFLDR-HZPDHXFCSA-N 1 1 323.481 3.790 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](CC=C)C1CC1 ZINC000538954554 1033229430 /nfs/dbraw/zinc/22/94/30/1033229430.db2.gz MVOQBUUANZCFAV-UHFFFAOYSA-N 1 1 302.443 3.554 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](CC=C)C1CC1 ZINC000538954554 1033229443 /nfs/dbraw/zinc/22/94/43/1033229443.db2.gz MVOQBUUANZCFAV-UHFFFAOYSA-N 1 1 302.443 3.554 20 30 DHEDMO C[C@@H](CCCC#N)[N@@H+](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001172499884 1033230504 /nfs/dbraw/zinc/23/05/04/1033230504.db2.gz GISLDXYFPCTEND-JKSUJKDBSA-N 1 1 323.481 3.648 20 30 DHEDMO COc1ccccc1[C@@H](O)C[N@@H+](C(C)C)[C@@H](C)CCCC#N ZINC001172501767 1033232988 /nfs/dbraw/zinc/23/29/88/1033232988.db2.gz RLTPLBSQUWUTBG-RDJZCZTQSA-N 1 1 304.434 3.521 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@]3(C2)CCCOC3)CC1 ZINC001170394989 1024761066 /nfs/dbraw/zinc/76/10/66/1024761066.db2.gz DXHWPHAAORPKFJ-NYLDSWQDSA-N 1 1 324.468 3.893 20 30 DHEDMO CC(C)(O)[C@H]1CCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170394847 1024762134 /nfs/dbraw/zinc/76/21/34/1024762134.db2.gz CJRMYOPJWZWPJJ-QPIRBTGLSA-N 1 1 312.457 3.626 20 30 DHEDMO CC(=O)[C@@H]1CCCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395959 1024763394 /nfs/dbraw/zinc/76/33/94/1024763394.db2.gz RHASJAGJBDVJIX-GPJFCIFZSA-N 1 1 310.441 3.834 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCc3cnccc3C2)CC1 ZINC001170379379 1024767306 /nfs/dbraw/zinc/76/73/06/1024767306.db2.gz WKZRJPNTLKKZOI-UHFFFAOYSA-N 1 1 317.436 3.844 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2[C@H](C)CCCC#N)cc1OC ZINC001172507228 1033234359 /nfs/dbraw/zinc/23/43/59/1033234359.db2.gz QUJXQODEMZXUKY-ZBFHGGJFSA-N 1 1 302.418 3.923 20 30 DHEDMO COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@@H](C)CCCC#N)cc1 ZINC001172506468 1033234776 /nfs/dbraw/zinc/23/47/76/1033234776.db2.gz UKIVIXPFJOKIEB-YOEHRIQHSA-N 1 1 300.402 3.692 20 30 DHEDMO CCCCCCCC[C@@H](CC)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC001172505425 1033235565 /nfs/dbraw/zinc/23/55/65/1033235565.db2.gz NDQGYKNUBNLATA-MOPGFXCFSA-N 1 1 310.526 3.922 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC000792940419 1024833037 /nfs/dbraw/zinc/83/30/37/1024833037.db2.gz PENPSZTUTWDJNR-UHFFFAOYSA-N 1 1 304.393 3.878 20 30 DHEDMO C[C@]12CC[N@H+](Cc3cccc(C#N)c3F)C[C@H]1C2(Cl)Cl ZINC000792910825 1024838301 /nfs/dbraw/zinc/83/83/01/1024838301.db2.gz WMNVWKKOYDDTND-OCCSQVGLSA-N 1 1 313.203 3.713 20 30 DHEDMO C[C@]12CC[N@@H+](Cc3cccc(C#N)c3F)C[C@H]1C2(Cl)Cl ZINC000792910825 1024838319 /nfs/dbraw/zinc/83/83/19/1024838319.db2.gz WMNVWKKOYDDTND-OCCSQVGLSA-N 1 1 313.203 3.713 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000350686020 1024842218 /nfs/dbraw/zinc/84/22/18/1024842218.db2.gz SXROGLIJPGMKNP-UHFFFAOYSA-N 1 1 308.429 3.560 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931916829 1024864645 /nfs/dbraw/zinc/86/46/45/1024864645.db2.gz WSRIKQDJMAWALO-FZMZJTMJSA-N 1 1 312.310 3.986 20 30 DHEDMO C#CC[N@H+](Cc1nc2ccccc2o1)[C@H]1CCc2ccccc21 ZINC000107681664 1024869794 /nfs/dbraw/zinc/86/97/94/1024869794.db2.gz YOPQMLYBNTYIPQ-SFHVURJKSA-N 1 1 302.377 3.951 20 30 DHEDMO C#CC[N@@H+](Cc1nc2ccccc2o1)[C@H]1CCc2ccccc21 ZINC000107681664 1024869816 /nfs/dbraw/zinc/86/98/16/1024869816.db2.gz YOPQMLYBNTYIPQ-SFHVURJKSA-N 1 1 302.377 3.951 20 30 DHEDMO C=CCN1c2ccccc2[C@@]2(CC[N@H+](CC(CC)CC)C2)C1=O ZINC001275074416 1024903424 /nfs/dbraw/zinc/90/34/24/1024903424.db2.gz ORIKAODUWRMXMU-FQEVSTJZSA-N 1 1 312.457 3.599 20 30 DHEDMO C#CCN1CC[C@]2(CCC[N@H+](C[C@@H](CC)CCCC)CC2)C1=O ZINC001275083706 1024905869 /nfs/dbraw/zinc/90/58/69/1024905869.db2.gz YLBZFXCXHMROHG-AZUAARDMSA-N 1 1 318.505 3.541 20 30 DHEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](CC)CCCC ZINC001275082789 1024906314 /nfs/dbraw/zinc/90/63/14/1024906314.db2.gz REZGJKLFMLDZSG-KZNAEPCWSA-N 1 1 306.494 3.844 20 30 DHEDMO C#CCN1CC[C@@]2(CCC[N@H+](C[C@@H](CC)CCCC)CC2)C1=O ZINC001275083707 1024907267 /nfs/dbraw/zinc/90/72/67/1024907267.db2.gz YLBZFXCXHMROHG-ICSRJNTNSA-N 1 1 318.505 3.541 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@H+](CCCCCCC)CC2)C1=O ZINC001275110597 1024917746 /nfs/dbraw/zinc/91/77/46/1024917746.db2.gz BAFFJHASYYSRGH-LJQANCHMSA-N 1 1 306.494 3.847 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2ccc3c(c2)NC(=O)CO3)CCCC1(C)C ZINC000353241637 1024997844 /nfs/dbraw/zinc/99/78/44/1024997844.db2.gz ZVRDHUGLARCDDT-KRWDZBQOSA-N 1 1 314.429 3.584 20 30 DHEDMO C=C(C)COc1cc(C[NH+]2CCC(F)(F)CC2)ccc1OC ZINC000793358637 1025001893 /nfs/dbraw/zinc/00/18/93/1025001893.db2.gz FBGGNEZOEVMIHU-UHFFFAOYSA-N 1 1 311.372 3.881 20 30 DHEDMO N#Cc1cccc(OCCC[N@@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC000610786661 1025143616 /nfs/dbraw/zinc/14/36/16/1025143616.db2.gz AUGCBGWTUGSVMD-IBGZPJMESA-N 1 1 310.372 3.913 20 30 DHEDMO C[N@@H+](CCC(C)(C)C#N)Cc1ccccc1OC(F)(F)F ZINC000157561155 1025153257 /nfs/dbraw/zinc/15/32/57/1025153257.db2.gz GHSRRYYSJRPLBJ-UHFFFAOYSA-N 1 1 300.324 3.957 20 30 DHEDMO COc1cc(C[NH2+][C@H](C)c2cccc(F)c2F)ccc1C#N ZINC000353641181 1025170049 /nfs/dbraw/zinc/17/00/49/1025170049.db2.gz IJQWTYAVSKBEJH-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO CC[N@@H+](Cc1cccc(F)c1C#N)C[C@H](O)c1ccc(C)cc1 ZINC000794383147 1025260357 /nfs/dbraw/zinc/26/03/57/1025260357.db2.gz MHCXBOPYXJVIGL-IBGZPJMESA-N 1 1 312.388 3.561 20 30 DHEDMO CC[N@H+](Cc1cccc(F)c1C#N)C[C@H](O)c1ccc(C)cc1 ZINC000794383147 1025260359 /nfs/dbraw/zinc/26/03/59/1025260359.db2.gz MHCXBOPYXJVIGL-IBGZPJMESA-N 1 1 312.388 3.561 20 30 DHEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1nc(Cl)c(C#N)s1 ZINC000804399756 1025283473 /nfs/dbraw/zinc/28/34/73/1025283473.db2.gz FQMKJJKHTSEQBE-LLVKDONJSA-N 1 1 312.870 3.735 20 30 DHEDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1C(C)(C)C#N ZINC000135278443 1033271739 /nfs/dbraw/zinc/27/17/39/1033271739.db2.gz FPXJGBKTUWOJCV-MSOLQXFVSA-N 1 1 311.473 3.546 20 30 DHEDMO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1C(C)(C)C#N ZINC000135278443 1033271754 /nfs/dbraw/zinc/27/17/54/1033271754.db2.gz FPXJGBKTUWOJCV-MSOLQXFVSA-N 1 1 311.473 3.546 20 30 DHEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1C(C)(C)C#N ZINC000135278443 1033271760 /nfs/dbraw/zinc/27/17/60/1033271760.db2.gz FPXJGBKTUWOJCV-MSOLQXFVSA-N 1 1 311.473 3.546 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)CN1C ZINC001168245186 1025387397 /nfs/dbraw/zinc/38/73/97/1025387397.db2.gz YMCMTIBFRWVRNM-SJORKVTESA-N 1 1 319.452 3.750 20 30 DHEDMO C[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C[N@@H+]1C ZINC001168245186 1025387408 /nfs/dbraw/zinc/38/74/08/1025387408.db2.gz YMCMTIBFRWVRNM-SJORKVTESA-N 1 1 319.452 3.750 20 30 DHEDMO C[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C[N@H+]1C ZINC001168245186 1025387423 /nfs/dbraw/zinc/38/74/23/1025387423.db2.gz YMCMTIBFRWVRNM-SJORKVTESA-N 1 1 319.452 3.750 20 30 DHEDMO Cc1ccc(C[N@H+](C[C@@H](O)CC2(C#N)CCC2)C(C)C)s1 ZINC000885965966 1025422018 /nfs/dbraw/zinc/42/20/18/1025422018.db2.gz ZNJTUHVFEXPLMW-HNNXBMFYSA-N 1 1 306.475 3.712 20 30 DHEDMO C=CCCC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000354398721 1025422631 /nfs/dbraw/zinc/42/26/31/1025422631.db2.gz VRDCLXVNGLXFFM-GOSISDBHSA-N 1 1 312.457 3.514 20 30 DHEDMO C=CCCCCCC[N@@H+]1CC[C@]2(CCN([C@H](C)CC)C2=O)C1 ZINC001275328766 1025437197 /nfs/dbraw/zinc/43/71/97/1025437197.db2.gz CEECKISGLQCCRD-MJGOQNOKSA-N 1 1 306.494 3.846 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000886008516 1025437090 /nfs/dbraw/zinc/43/70/90/1025437090.db2.gz OOVAABGKYHMOCB-WMLDXEAASA-N 1 1 320.383 3.547 20 30 DHEDMO C=CCCCCC[N@H+]1CC[C@]2(CCN(CC3CCCC3)C2=O)C1 ZINC001275329562 1025440942 /nfs/dbraw/zinc/44/09/42/1025440942.db2.gz ZXCBSDYRAIPDIR-FQEVSTJZSA-N 1 1 318.505 3.847 20 30 DHEDMO C=CCCCCCC[N@H+]1CC[C@@]2(CCN(C3CCCC3)C2=O)C1 ZINC001275329476 1025441091 /nfs/dbraw/zinc/44/10/91/1025441091.db2.gz XKMSPCDUFZVEOM-HXUWFJFHSA-N 1 1 318.505 3.990 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886022683 1025443673 /nfs/dbraw/zinc/44/36/73/1025443673.db2.gz IHGPWHYFLMJOLR-VKJFTORMSA-N 1 1 316.420 3.653 20 30 DHEDMO N#CC1(C[C@H](O)C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)CCC1 ZINC000886052450 1025453589 /nfs/dbraw/zinc/45/35/89/1025453589.db2.gz QSXRCJMSLLSONY-PKOBYXMFSA-N 1 1 310.441 3.583 20 30 DHEDMO C=C(C)C[N@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000728917321 1025455195 /nfs/dbraw/zinc/45/51/95/1025455195.db2.gz YUYWQTQGPLGCCN-JKSUJKDBSA-N 1 1 308.466 3.817 20 30 DHEDMO C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000860036054 1033286419 /nfs/dbraw/zinc/28/64/19/1033286419.db2.gz GCQBEWYGVNDWOZ-HZMVEIRTSA-N 1 1 320.477 3.530 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000127566963 1025547047 /nfs/dbraw/zinc/54/70/47/1025547047.db2.gz ASIGUGPAEJZPCH-CRAIPNDOSA-N 1 1 316.408 3.584 20 30 DHEDMO CC1(C)C[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@H]1c1cccs1 ZINC000886207486 1025556392 /nfs/dbraw/zinc/55/63/92/1025556392.db2.gz DSSHBVFLBKPRRF-HIFRSBDPSA-N 1 1 304.459 3.576 20 30 DHEDMO CC[C@H]1CC([N@@H+](C)CCC#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170477440 1025557721 /nfs/dbraw/zinc/55/77/21/1025557721.db2.gz KGCGOHOXIJAAHG-GJZGRUSLSA-N 1 1 323.481 3.789 20 30 DHEDMO CC[C@@H]1C[C@@H]([N@@H+](C)CCC#N)C[C@H](CC)N1C(=O)OC(C)(C)C ZINC001170477445 1025558318 /nfs/dbraw/zinc/55/83/18/1025558318.db2.gz KGCGOHOXIJAAHG-MUJYYYPQSA-N 1 1 323.481 3.789 20 30 DHEDMO N#CC1(c2ccccc2)CC([NH2+]Cc2nc(C3CC3)cs2)C1 ZINC000128058978 1025564738 /nfs/dbraw/zinc/56/47/38/1025564738.db2.gz CTUYOVRWXSJIGC-UHFFFAOYSA-N 1 1 309.438 3.734 20 30 DHEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000886242799 1025570316 /nfs/dbraw/zinc/57/03/16/1025570316.db2.gz DTRYPWLAPXXBLJ-GUDVDZBRSA-N 1 1 312.457 3.699 20 30 DHEDMO CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CC[C@@H](F)C2)cc1 ZINC001137899807 1025570804 /nfs/dbraw/zinc/57/08/04/1025570804.db2.gz GXXBXAHJHLYLFD-QGZVFWFLSA-N 1 1 309.388 3.870 20 30 DHEDMO CCN(Cc1ccccc1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355010979 1025576411 /nfs/dbraw/zinc/57/64/11/1025576411.db2.gz KBWPTFWPHIQQFL-OAQYLSRUSA-N 1 1 319.452 3.655 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000886362674 1025602779 /nfs/dbraw/zinc/60/27/79/1025602779.db2.gz IXMWKQYHNAOBRC-GOSISDBHSA-N 1 1 312.457 3.676 20 30 DHEDMO C=CCC[C@@H](NC(=O)[C@@H]1CCCc2[nH+]ccn21)c1ccccc1 ZINC000355159146 1025618537 /nfs/dbraw/zinc/61/85/37/1025618537.db2.gz IAVCQQVGBBSBTI-SJORKVTESA-N 1 1 309.413 3.584 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCCC[C@H](SC)C2)cc1OC ZINC000355214337 1025640568 /nfs/dbraw/zinc/64/05/68/1025640568.db2.gz AADINZIOEKODEB-INIZCTEOSA-N 1 1 321.486 3.978 20 30 DHEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000805750186 1025657025 /nfs/dbraw/zinc/65/70/25/1025657025.db2.gz XVBFFOCOADQIIN-DNVCBOLYSA-N 1 1 307.397 3.567 20 30 DHEDMO C=CCCC1(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)CC1 ZINC000475909744 1025698491 /nfs/dbraw/zinc/69/84/91/1025698491.db2.gz GGVQFNJUEAOKPG-INIZCTEOSA-N 1 1 306.494 3.750 20 30 DHEDMO Cc1ccccc1C1CC([N@H+](Cc2ncc(C#N)cn2)C2CC2)C1 ZINC000573429857 1025711654 /nfs/dbraw/zinc/71/16/54/1025711654.db2.gz JIGUYNDSMHUIDH-UHFFFAOYSA-N 1 1 318.424 3.567 20 30 DHEDMO Cc1ccccc1C1CC([N@@H+](Cc2ncc(C#N)cn2)C2CC2)C1 ZINC000573429857 1025711674 /nfs/dbraw/zinc/71/16/74/1025711674.db2.gz JIGUYNDSMHUIDH-UHFFFAOYSA-N 1 1 318.424 3.567 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC000886617717 1025745431 /nfs/dbraw/zinc/74/54/31/1025745431.db2.gz WOFGXFKQIPSRPD-HOTGVXAUSA-N 1 1 308.347 3.917 20 30 DHEDMO CC(C)(CC#N)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886623929 1025748756 /nfs/dbraw/zinc/74/87/56/1025748756.db2.gz TXCMNQUCFLQKEG-FHWLQOOXSA-N 1 1 311.473 3.569 20 30 DHEDMO Cc1cccc([C@@H]2CCC[N@H+]2CCCOc2ccc(C#N)cc2)n1 ZINC000178673194 1025770083 /nfs/dbraw/zinc/77/00/83/1025770083.db2.gz MGQDTPVBWSNLIF-FQEVSTJZSA-N 1 1 321.424 3.868 20 30 DHEDMO CC(C)(C)[N@H+]1CCCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614162894 1025785553 /nfs/dbraw/zinc/78/55/53/1025785553.db2.gz CWFCSAAMLXYDFE-UHFFFAOYSA-N 1 1 313.489 3.794 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@H](N3CCCCC3)C2)cc1 ZINC000614167226 1025792283 /nfs/dbraw/zinc/79/22/83/1025792283.db2.gz AEKFIENLEWZZTI-IBGZPJMESA-N 1 1 311.473 3.548 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H](N3CCCCC3)C2)cc1 ZINC000614167226 1025792299 /nfs/dbraw/zinc/79/22/99/1025792299.db2.gz AEKFIENLEWZZTI-IBGZPJMESA-N 1 1 311.473 3.548 20 30 DHEDMO C[N@@H+](CCC1CCOCC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171770 1025802308 /nfs/dbraw/zinc/80/23/08/1025802308.db2.gz YWOUMLATBATYML-UHFFFAOYSA-N 1 1 300.446 3.736 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000614176346 1025805360 /nfs/dbraw/zinc/80/53/60/1025805360.db2.gz VSSRJIKTZMGHRD-UHFFFAOYSA-N 1 1 309.413 3.523 20 30 DHEDMO Cc1nccn1CCC[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176113 1025811331 /nfs/dbraw/zinc/81/13/31/1025811331.db2.gz FMALVDSJPRJXNO-UHFFFAOYSA-N 1 1 310.445 3.515 20 30 DHEDMO N#CCSCCC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000074991796 1025830599 /nfs/dbraw/zinc/83/05/99/1025830599.db2.gz JULWZJNNSZOBHG-HNNXBMFYSA-N 1 1 306.500 3.747 20 30 DHEDMO CC[N@@H+](CCCCC#N)Cc1cc(Br)ccc1O ZINC000076118568 1025863766 /nfs/dbraw/zinc/86/37/66/1025863766.db2.gz ZOTPHTOEOPEBBG-UHFFFAOYSA-N 1 1 311.223 3.670 20 30 DHEDMO C[N@H+](CC1CC1)C[C@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000411299613 1025930049 /nfs/dbraw/zinc/93/00/49/1025930049.db2.gz LENWGPDJRYFWPK-GOSISDBHSA-N 1 1 303.494 3.514 20 30 DHEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000411299613 1025930060 /nfs/dbraw/zinc/93/00/60/1025930060.db2.gz LENWGPDJRYFWPK-GOSISDBHSA-N 1 1 303.494 3.514 20 30 DHEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000614219124 1025935938 /nfs/dbraw/zinc/93/59/38/1025935938.db2.gz ZEOPQBHBEPOGHN-KBXCAEBGSA-N 1 1 308.429 3.673 20 30 DHEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356114516 1025951867 /nfs/dbraw/zinc/95/18/67/1025951867.db2.gz RKGUVZWCZSSWLZ-MRXNPFEDSA-N 1 1 317.433 3.853 20 30 DHEDMO C[N@@H+](CCCSCC#N)Cc1cccc(C(F)(F)F)c1 ZINC000080627282 1025973798 /nfs/dbraw/zinc/97/37/98/1025973798.db2.gz WVMUAAURNWUVNC-UHFFFAOYSA-N 1 1 302.365 3.784 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000717446814 1025977484 /nfs/dbraw/zinc/97/74/84/1025977484.db2.gz FMKBZIKWMSLFHB-UHFFFAOYSA-N 1 1 300.229 3.896 20 30 DHEDMO C=CCCc1ccccc1NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000356273426 1026002482 /nfs/dbraw/zinc/00/24/82/1026002482.db2.gz FWXCGMHZKXJVIT-INIZCTEOSA-N 1 1 309.413 3.511 20 30 DHEDMO C[N@H+](Cc1ccccn1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356445013 1026051653 /nfs/dbraw/zinc/05/16/53/1026051653.db2.gz ZICDFPWCPWHFMF-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1ccccn1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356445013 1026051672 /nfs/dbraw/zinc/05/16/72/1026051672.db2.gz ZICDFPWCPWHFMF-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[C@@H](c1cnn(C)c1)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356442038 1026052541 /nfs/dbraw/zinc/05/25/41/1026052541.db2.gz TVIAOVIVCSJLNB-NSHDSACASA-N 1 1 322.334 3.504 20 30 DHEDMO C[C@@H](c1cnn(C)c1)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356442038 1026052555 /nfs/dbraw/zinc/05/25/55/1026052555.db2.gz TVIAOVIVCSJLNB-NSHDSACASA-N 1 1 322.334 3.504 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CC1CCCC1 ZINC000532939198 1026142944 /nfs/dbraw/zinc/14/29/44/1026142944.db2.gz VDSPWNVRGLUQBI-LBPRGKRZSA-N 1 1 319.836 3.661 20 30 DHEDMO COc1ccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1C#N ZINC000533079595 1026210930 /nfs/dbraw/zinc/21/09/30/1026210930.db2.gz HAJKKEBISJKRPI-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO COCC[N@@H+](CCCc1ccccc1)Cc1ccc(C#N)s1 ZINC000120534728 1026217172 /nfs/dbraw/zinc/21/71/72/1026217172.db2.gz HGQRPJPZMQCQBU-UHFFFAOYSA-N 1 1 314.454 3.701 20 30 DHEDMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000614400802 1026296558 /nfs/dbraw/zinc/29/65/58/1026296558.db2.gz GKBRCEMZDDIVIG-FQEVSTJZSA-N 1 1 306.409 3.749 20 30 DHEDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000614400802 1026296569 /nfs/dbraw/zinc/29/65/69/1026296569.db2.gz GKBRCEMZDDIVIG-FQEVSTJZSA-N 1 1 306.409 3.749 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000809542195 1026548598 /nfs/dbraw/zinc/54/85/98/1026548598.db2.gz CNMLMHCXPILNMU-UHFFFAOYSA-N 1 1 313.404 3.834 20 30 DHEDMO C#Cc1ccc(C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000809615387 1026565102 /nfs/dbraw/zinc/56/51/02/1026565102.db2.gz ZQPSHZOAOWZDDO-QFIPXVFZSA-N 1 1 318.464 3.985 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000809593247 1026567723 /nfs/dbraw/zinc/56/77/23/1026567723.db2.gz UJGBPWHGMHVTCR-SFTDATJTSA-N 1 1 300.405 3.940 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1cccc(C)c1O)c1ccc(Cl)cc1F ZINC000809699162 1026586811 /nfs/dbraw/zinc/58/68/11/1026586811.db2.gz OTXJSJNDOPOJIU-MRXNPFEDSA-N 1 1 303.764 3.957 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(OC)cc2)n1)C(C)C ZINC000809684595 1026591492 /nfs/dbraw/zinc/59/14/92/1026591492.db2.gz IBFLNIBHMCFAKF-MRXNPFEDSA-N 1 1 300.427 3.566 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1C ZINC000809716868 1026604199 /nfs/dbraw/zinc/60/41/99/1026604199.db2.gz UJHIRUOBBBYERW-UHFFFAOYSA-N 1 1 309.409 3.648 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1 ZINC000809767411 1026605722 /nfs/dbraw/zinc/60/57/22/1026605722.db2.gz KGRLBXPFUXVQOI-IBGZPJMESA-N 1 1 315.420 3.682 20 30 DHEDMO C=CCC[N@H+](C)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000809985436 1026654484 /nfs/dbraw/zinc/65/44/84/1026654484.db2.gz NIIRLKNVNNYTHR-WKILWMFISA-N 1 1 310.482 3.825 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC000810048514 1026668993 /nfs/dbraw/zinc/66/89/93/1026668993.db2.gz ICPZLPQIZPAPMI-ZBFHGGJFSA-N 1 1 324.262 3.771 20 30 DHEDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000280636804 1026684766 /nfs/dbraw/zinc/68/47/66/1026684766.db2.gz XWSNDUOCZMNMHR-INIZCTEOSA-N 1 1 324.428 3.866 20 30 DHEDMO Cc1ncccc1OC[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000419399403 1026705339 /nfs/dbraw/zinc/70/53/39/1026705339.db2.gz JPOINSKHUSHPEL-INIZCTEOSA-N 1 1 301.434 3.563 20 30 DHEDMO CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H]1CCc3ccc(C#N)cc31)CCC2 ZINC000810236659 1026725738 /nfs/dbraw/zinc/72/57/38/1026725738.db2.gz KSLZYOMYDVLYTR-RTBURBONSA-N 1 1 320.440 3.990 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000501207688 1026758583 /nfs/dbraw/zinc/75/85/83/1026758583.db2.gz HRXNGURWBQKGJM-OAHLLOKOSA-N 1 1 324.424 3.638 20 30 DHEDMO N#Cc1c(F)ccc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1Cl ZINC000366557157 1026789753 /nfs/dbraw/zinc/78/97/53/1026789753.db2.gz OUETUELRIXWFDO-CQSZACIVSA-N 1 1 322.811 3.599 20 30 DHEDMO N#Cc1c(F)ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)c1Cl ZINC000366557157 1026789761 /nfs/dbraw/zinc/78/97/61/1026789761.db2.gz OUETUELRIXWFDO-CQSZACIVSA-N 1 1 322.811 3.599 20 30 DHEDMO C=CCSc1ccccc1C(=O)O[C@@H](C)Cn1cc[nH+]c1C ZINC000810622120 1026803152 /nfs/dbraw/zinc/80/31/52/1026803152.db2.gz UDHRANIBLJOIPT-ZDUSSCGKSA-N 1 1 316.426 3.715 20 30 DHEDMO N#CCCC[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420958215 1026893888 /nfs/dbraw/zinc/89/38/88/1026893888.db2.gz CSVNKBFUBKVNOI-AWEZNQCLSA-N 1 1 307.235 3.760 20 30 DHEDMO CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)c1ccsc1 ZINC000421007418 1026913206 /nfs/dbraw/zinc/91/32/06/1026913206.db2.gz LICNKYCYAJTKEY-WMLDXEAASA-N 1 1 321.490 3.574 20 30 DHEDMO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CC(C)(C)CCC#N)C1 ZINC000421374372 1026969852 /nfs/dbraw/zinc/96/98/52/1026969852.db2.gz FPPUDLZJAGHVEC-HUUCEWRRSA-N 1 1 308.466 3.616 20 30 DHEDMO C[N@@H+](Cc1ccccc1O)Cc1ccc(C#N)cc1C(F)(F)F ZINC000811457358 1027005054 /nfs/dbraw/zinc/00/50/54/1027005054.db2.gz KXIJKDNJSPJSDO-UHFFFAOYSA-N 1 1 320.314 3.915 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccc(Cl)cc1 ZINC000811517043 1027018458 /nfs/dbraw/zinc/01/84/58/1027018458.db2.gz GOFMHHVRLJSYOI-QGZVFWFLSA-N 1 1 310.784 3.684 20 30 DHEDMO C#C[C@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000811505090 1027024385 /nfs/dbraw/zinc/02/43/85/1027024385.db2.gz DCZJUYVCLQLVKY-QMMMGPOBSA-N 1 1 306.125 3.579 20 30 DHEDMO C[C@H]1C(=NOCCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000811648543 1027049456 /nfs/dbraw/zinc/04/94/56/1027049456.db2.gz MMKOTULOJPXXPH-LBPRGKRZSA-N 1 1 300.324 3.606 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(CF)CC2)c(Br)c1 ZINC000295170832 1027129770 /nfs/dbraw/zinc/12/97/70/1027129770.db2.gz PZMQEIMYYKNTMB-UHFFFAOYSA-N 1 1 311.198 3.502 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]2COc2ccccc2)cc1 ZINC001170651473 1027154034 /nfs/dbraw/zinc/15/40/34/1027154034.db2.gz WBPNTLXMGGOHHK-IBGZPJMESA-N 1 1 306.409 3.644 20 30 DHEDMO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nnc2n1CCCCC2 ZINC000271824046 1027155642 /nfs/dbraw/zinc/15/56/42/1027155642.db2.gz CYBBBNBLHYTSDW-RHSMWYFYSA-N 1 1 323.444 3.678 20 30 DHEDMO CC1(C)[C@H](c2ccccc2F)CC[N@H+]1Cc1cncc(C#N)c1 ZINC000931553013 1027166265 /nfs/dbraw/zinc/16/62/65/1027166265.db2.gz APBSOFQTAALBNV-KRWDZBQOSA-N 1 1 309.388 3.860 20 30 DHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CCOc2ccccc2C#N)C1 ZINC000362384744 1027174993 /nfs/dbraw/zinc/17/49/93/1027174993.db2.gz KSDILCKLWPTRER-JKSUJKDBSA-N 1 1 304.459 3.543 20 30 DHEDMO CC(C)(C)[C@@H]1CSCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000931590290 1027180689 /nfs/dbraw/zinc/18/06/89/1027180689.db2.gz AOXBJTQMHQOHEL-INIZCTEOSA-N 1 1 304.459 3.552 20 30 DHEDMO CC(C)OCCON=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000812238075 1027219002 /nfs/dbraw/zinc/21/90/02/1027219002.db2.gz LQYIKARQPLBSMX-KDURUIRLSA-N 1 1 316.445 3.611 20 30 DHEDMO CC(C)OCCON=C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000812240609 1027219652 /nfs/dbraw/zinc/21/96/52/1027219652.db2.gz OVJJVQBFXJUEIW-UHFFFAOYSA-N 1 1 324.852 3.733 20 30 DHEDMO N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1CCC[N@H+]1C1CCCCC1)CC2 ZINC000562100602 1027236199 /nfs/dbraw/zinc/23/61/99/1027236199.db2.gz TXLNMBCUFYPTHS-FPOVZHCZSA-N 1 1 323.484 3.932 20 30 DHEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCN1C1CCCCC1)CC2 ZINC000562100602 1027236206 /nfs/dbraw/zinc/23/62/06/1027236206.db2.gz TXLNMBCUFYPTHS-FPOVZHCZSA-N 1 1 323.484 3.932 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000572980682 1027247082 /nfs/dbraw/zinc/24/70/82/1027247082.db2.gz IMEBQZAOSCRLMS-SMDDNHRTSA-N 1 1 305.834 3.910 20 30 DHEDMO C[N@@H+](CCC(C)(C)C#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273506988 1027248572 /nfs/dbraw/zinc/24/85/72/1027248572.db2.gz OCKSYKWMJQLXNL-SJORKVTESA-N 1 1 304.409 3.917 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(n1)CCC2 ZINC000573081427 1027261588 /nfs/dbraw/zinc/26/15/88/1027261588.db2.gz MHDBUJAMBBZSJR-UHFFFAOYSA-N 1 1 305.425 3.854 20 30 DHEDMO C=CCCCCCCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000812493383 1027300466 /nfs/dbraw/zinc/30/04/66/1027300466.db2.gz HVHMNUAEJDKMJS-ROUUACIJSA-N 1 1 321.509 3.639 20 30 DHEDMO C=CCCCCCCCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000812494675 1027303522 /nfs/dbraw/zinc/30/35/22/1027303522.db2.gz PFQIZFLTQYWBNA-ZWKOTPCHSA-N 1 1 321.509 3.639 20 30 DHEDMO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](CCCC(C)(C)C#N)CC1(C)C ZINC000931990568 1027328634 /nfs/dbraw/zinc/32/86/34/1027328634.db2.gz ZNWFMBHKKPHEBD-AWEZNQCLSA-N 1 1 323.481 3.551 20 30 DHEDMO C[N@H+]1CCC[C@H](CNc2c(C#N)cnc3c(Cl)cccc32)C1 ZINC000573838793 1027331733 /nfs/dbraw/zinc/33/17/33/1027331733.db2.gz CJQCIXMHIXIZDM-GFCCVEGCSA-N 1 1 314.820 3.514 20 30 DHEDMO C=C[C@@H](CC)CC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000932072263 1027358533 /nfs/dbraw/zinc/35/85/33/1027358533.db2.gz CMHYOGHBMFVBJL-HOTGVXAUSA-N 1 1 316.445 3.621 20 30 DHEDMO N#CC1(C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000574587852 1027405753 /nfs/dbraw/zinc/40/57/53/1027405753.db2.gz LYRTYLZRACLGFN-UHFFFAOYSA-N 1 1 310.372 3.798 20 30 DHEDMO C=CC[N@@H+](Cc1nc2ccc(Br)cc2o1)C(C)C ZINC000812824240 1027416000 /nfs/dbraw/zinc/41/60/00/1027416000.db2.gz WNNONHXQILNKDC-UHFFFAOYSA-N 1 1 309.207 3.987 20 30 DHEDMO CC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812850789 1027446447 /nfs/dbraw/zinc/44/64/47/1027446447.db2.gz XXMRZVLVABRXSQ-MGPUTAFESA-N 1 1 324.424 3.511 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccnc(Oc3ccccc3F)c2)o1 ZINC000362963538 1027471657 /nfs/dbraw/zinc/47/16/57/1027471657.db2.gz NJWHWXZZSUSULE-UHFFFAOYSA-N 1 1 323.327 3.767 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+](Cc1nc2ccccc2s1)C1CC1 ZINC000932400674 1027483066 /nfs/dbraw/zinc/48/30/66/1027483066.db2.gz VCHMUBKQGVELNR-CQSZACIVSA-N 1 1 302.443 3.588 20 30 DHEDMO C[C@@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1F ZINC000423522667 1027580023 /nfs/dbraw/zinc/58/00/23/1027580023.db2.gz VEBDETHBIUXVTO-AUUYWEPGSA-N 1 1 311.404 3.828 20 30 DHEDMO C[C@@H](C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CCCCC1 ZINC001170703659 1027604213 /nfs/dbraw/zinc/60/42/13/1027604213.db2.gz RTGCUFMMQONFBV-YJBOKZPZSA-N 1 1 313.445 3.623 20 30 DHEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000576365004 1027608492 /nfs/dbraw/zinc/60/84/92/1027608492.db2.gz RHQHELRJTPSHEO-OAHLLOKOSA-N 1 1 310.235 3.789 20 30 DHEDMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000576645847 1027642722 /nfs/dbraw/zinc/64/27/22/1027642722.db2.gz HEFIZYIZUDEFGT-HXUWFJFHSA-N 1 1 306.409 3.749 20 30 DHEDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000576645847 1027642735 /nfs/dbraw/zinc/64/27/35/1027642735.db2.gz HEFIZYIZUDEFGT-HXUWFJFHSA-N 1 1 306.409 3.749 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](n3cnc4ccccc43)C2)cc1 ZINC000363483166 1027649974 /nfs/dbraw/zinc/64/99/74/1027649974.db2.gz FNJKLBLZPQDYRC-GOSISDBHSA-N 1 1 316.408 3.745 20 30 DHEDMO Cc1ccc(F)cc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000576738069 1027653277 /nfs/dbraw/zinc/65/32/77/1027653277.db2.gz SQGHUKLAGLNMKM-UHFFFAOYSA-N 1 1 312.388 3.654 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000778165548 1027718071 /nfs/dbraw/zinc/71/80/71/1027718071.db2.gz RWJURIHYTNIVNL-UHFFFAOYSA-N 1 1 321.754 3.920 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778992704 1027726625 /nfs/dbraw/zinc/72/66/25/1027726625.db2.gz XWOWHYKTVNHOET-ARFHVFGLSA-N 1 1 310.482 3.966 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778992707 1027727395 /nfs/dbraw/zinc/72/73/95/1027727395.db2.gz XWOWHYKTVNHOET-JYJNAYRXSA-N 1 1 310.482 3.966 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)c1cccc(Cl)c1 ZINC000778996966 1027739823 /nfs/dbraw/zinc/73/98/23/1027739823.db2.gz XWEKXWIABYNWCE-KRWDZBQOSA-N 1 1 305.805 3.697 20 30 DHEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1=CC[C@@H](C(=C)C)CC1 ZINC001275856732 1027745721 /nfs/dbraw/zinc/74/57/21/1027745721.db2.gz JNPSBGGLXUZETI-GUDVDZBRSA-N 1 1 314.473 3.540 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@H](C)C[NH+](C)C)cc1 ZINC000813878182 1027746600 /nfs/dbraw/zinc/74/66/00/1027746600.db2.gz LEOHQYGGINFWQI-ZFWWWQNUSA-N 1 1 310.869 3.666 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(F)ccc1O ZINC000779000049 1027757452 /nfs/dbraw/zinc/75/74/52/1027757452.db2.gz ORWKDDUNSUMBIQ-UHFFFAOYSA-N 1 1 301.361 3.728 20 30 DHEDMO N#Cc1ccc(C2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC000933608062 1027772806 /nfs/dbraw/zinc/77/28/06/1027772806.db2.gz VDJBIMIEDHNPGT-UHFFFAOYSA-N 1 1 316.408 3.814 20 30 DHEDMO CCOc1ccccc1OCC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933770140 1027821776 /nfs/dbraw/zinc/82/17/76/1027821776.db2.gz KKBLMUBVNLPTRG-UHFFFAOYSA-N 1 1 316.426 3.529 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2ncccc2F)cc1OC ZINC000527826693 1027908629 /nfs/dbraw/zinc/90/86/29/1027908629.db2.gz RYHBNEDSASCWFX-ZDUSSCGKSA-N 1 1 316.376 3.645 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000365444721 1027948615 /nfs/dbraw/zinc/94/86/15/1027948615.db2.gz TWKNVARIPCUSJD-UHFFFAOYSA-N 1 1 314.355 3.507 20 30 DHEDMO CC(=[NH+]OCCC1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000814246939 1027958943 /nfs/dbraw/zinc/95/89/43/1027958943.db2.gz JFROBYNGMZAJKQ-UHFFFAOYSA-N 1 1 322.836 3.717 20 30 DHEDMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000365677756 1027993315 /nfs/dbraw/zinc/99/33/15/1027993315.db2.gz ZKQNVWKILUFPOQ-QGZVFWFLSA-N 1 1 322.456 3.601 20 30 DHEDMO Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000578000261 1028013375 /nfs/dbraw/zinc/01/33/75/1028013375.db2.gz WTXFOLMWUBGCTR-BDJLRTHQSA-N 1 1 312.442 3.837 20 30 DHEDMO C=CCCC[N@H+](CC)CC[C@H]1Sc2ccccc2NC1=O ZINC000934646612 1028062282 /nfs/dbraw/zinc/06/22/82/1028062282.db2.gz ISICABOMRXABBP-MRXNPFEDSA-N 1 1 304.459 3.778 20 30 DHEDMO CC(C)(C#N)CCCC[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000366375276 1028077860 /nfs/dbraw/zinc/07/78/60/1028077860.db2.gz JBLDMXURJXLPPC-UHFFFAOYSA-N 1 1 312.364 3.696 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC000366574520 1028099910 /nfs/dbraw/zinc/09/99/10/1028099910.db2.gz YKLAONQYYSRNLX-HNAYVOBHSA-N 1 1 321.424 3.956 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC000366574520 1028099930 /nfs/dbraw/zinc/09/99/30/1028099930.db2.gz YKLAONQYYSRNLX-HNAYVOBHSA-N 1 1 321.424 3.956 20 30 DHEDMO CCc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000814642860 1028144802 /nfs/dbraw/zinc/14/48/02/1028144802.db2.gz UEAKAZVDFLVSBU-NHCUHLMSSA-N 1 1 320.436 3.644 20 30 DHEDMO C=C(CC)C[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814676639 1028147151 /nfs/dbraw/zinc/14/71/51/1028147151.db2.gz XEPIVERIIFIUFJ-IYBDPMFKSA-N 1 1 308.466 3.532 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000367229032 1028150910 /nfs/dbraw/zinc/15/09/10/1028150910.db2.gz NWDKVYIMRJSRKI-LJQANCHMSA-N 1 1 310.397 3.722 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000367229032 1028150916 /nfs/dbraw/zinc/15/09/16/1028150916.db2.gz NWDKVYIMRJSRKI-LJQANCHMSA-N 1 1 310.397 3.722 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](CC[C@H](O)c3ccccc3)CC2)cc1 ZINC000367376922 1028175871 /nfs/dbraw/zinc/17/58/71/1028175871.db2.gz FFIYGAYITVUUOF-NRFANRHFSA-N 1 1 318.420 3.771 20 30 DHEDMO Cc1ccnc(N=NC2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000814868559 1028252543 /nfs/dbraw/zinc/25/25/43/1028252543.db2.gz XSXLDUWAQCTXND-MRXNPFEDSA-N 1 1 308.429 3.842 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000367872655 1028253921 /nfs/dbraw/zinc/25/39/21/1028253921.db2.gz HWAULVTUUIGLPZ-RDTXWAMCSA-N 1 1 307.397 3.545 20 30 DHEDMO C[C@H]1C(=NNCCC(F)(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000814920867 1028280139 /nfs/dbraw/zinc/28/01/39/1028280139.db2.gz XOBYWVUHGWFKMD-ZDUSSCGKSA-N 1 1 313.367 3.569 20 30 DHEDMO C[C@H]1C(=NNCCC(F)(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000814920867 1028280158 /nfs/dbraw/zinc/28/01/58/1028280158.db2.gz XOBYWVUHGWFKMD-ZDUSSCGKSA-N 1 1 313.367 3.569 20 30 DHEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000368021558 1028281767 /nfs/dbraw/zinc/28/17/67/1028281767.db2.gz OELABUKSUIHRTJ-FUHWJXTLSA-N 1 1 322.399 3.571 20 30 DHEDMO C=CCCC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000368021558 1028281776 /nfs/dbraw/zinc/28/17/76/1028281776.db2.gz OELABUKSUIHRTJ-FUHWJXTLSA-N 1 1 322.399 3.571 20 30 DHEDMO Brc1cnn([NH+]=C2CC[C@H](c3ccccc3)C2)c1 ZINC000814884352 1028282175 /nfs/dbraw/zinc/28/21/75/1028282175.db2.gz IIWJIFDEQMLDFI-LBPRGKRZSA-N 1 1 304.191 3.817 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000368058085 1028291442 /nfs/dbraw/zinc/29/14/42/1028291442.db2.gz PSROQIFSRKSEJX-HXUWFJFHSA-N 1 1 324.399 3.571 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000368058085 1028291451 /nfs/dbraw/zinc/29/14/51/1028291451.db2.gz PSROQIFSRKSEJX-HXUWFJFHSA-N 1 1 324.399 3.571 20 30 DHEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000449043799 1028308398 /nfs/dbraw/zinc/30/83/98/1028308398.db2.gz ZZGYCBLBDPNHSA-SFHVURJKSA-N 1 1 312.457 3.514 20 30 DHEDMO C=CCOCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000815060466 1028344583 /nfs/dbraw/zinc/34/45/83/1028344583.db2.gz UKWFNZKUJMVIRI-OALUTQOASA-N 1 1 303.446 3.557 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H](COC)C2)cc1OC ZINC000368659915 1028392019 /nfs/dbraw/zinc/39/20/19/1028392019.db2.gz PTSHNNCSMGJYPB-QGZVFWFLSA-N 1 1 319.445 3.509 20 30 DHEDMO CC(C)c1nccn1[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000369259719 1028464695 /nfs/dbraw/zinc/46/46/95/1028464695.db2.gz QARPIZSSSCWASK-GOSISDBHSA-N 1 1 308.429 3.715 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000369361204 1028477905 /nfs/dbraw/zinc/47/79/05/1028477905.db2.gz ASTSVEOHYCXBJU-OAHLLOKOSA-N 1 1 315.465 3.582 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000369361204 1028477911 /nfs/dbraw/zinc/47/79/11/1028477911.db2.gz ASTSVEOHYCXBJU-OAHLLOKOSA-N 1 1 315.465 3.582 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000369361204 1028477920 /nfs/dbraw/zinc/47/79/20/1028477920.db2.gz ASTSVEOHYCXBJU-OAHLLOKOSA-N 1 1 315.465 3.582 20 30 DHEDMO CC(C)COC(=O)N1CCC[N@@H+](CCCCC(C)(C)C#N)CC1 ZINC000369364013 1028481691 /nfs/dbraw/zinc/48/16/91/1028481691.db2.gz TVNIDEQKFBRNOH-UHFFFAOYSA-N 1 1 323.481 3.507 20 30 DHEDMO C=CCCC[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000564916805 1028520562 /nfs/dbraw/zinc/52/05/62/1028520562.db2.gz SUYWAGDUOHBDAL-QGZVFWFLSA-N 1 1 318.436 3.510 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCCc2cccnc21 ZINC000565155766 1028549424 /nfs/dbraw/zinc/54/94/24/1028549424.db2.gz GGRXXANNVDBVAP-IBGZPJMESA-N 1 1 320.440 3.884 20 30 DHEDMO C=CCCCC[C@@H](C)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000449334594 1028568793 /nfs/dbraw/zinc/56/87/93/1028568793.db2.gz FPVDETAHKCHYSX-VQIMIIECSA-N 1 1 302.462 3.800 20 30 DHEDMO CCc1oc2ccccc2c1C[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000565871002 1028644257 /nfs/dbraw/zinc/64/42/57/1028644257.db2.gz VUNJGBYDTBIKPA-UHFFFAOYSA-N 1 1 305.381 3.894 20 30 DHEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)[C@H](CO)c1ccccc1 ZINC000449454027 1028660932 /nfs/dbraw/zinc/66/09/32/1028660932.db2.gz OEFYQNPQNOOKMR-HXUWFJFHSA-N 1 1 324.424 3.535 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000566241567 1028690235 /nfs/dbraw/zinc/69/02/35/1028690235.db2.gz FKWGUCKPDKCWFI-QZTJIDSGSA-N 1 1 301.430 3.642 20 30 DHEDMO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CCCCC#N)C[C@@H](C)C2 ZINC000371363040 1028695680 /nfs/dbraw/zinc/69/56/80/1028695680.db2.gz ZAOZEECNMNMLDG-LSDHHAIUSA-N 1 1 316.445 3.953 20 30 DHEDMO Cn1cc(-c2cccc(C[N@@H+](C)Cc3cccc(C#N)c3)c2)cn1 ZINC000371391959 1028703603 /nfs/dbraw/zinc/70/36/03/1028703603.db2.gz IOICFNXXIPMDFX-UHFFFAOYSA-N 1 1 316.408 3.591 20 30 DHEDMO CCO[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@H]1C ZINC000449497785 1028709025 /nfs/dbraw/zinc/70/90/25/1028709025.db2.gz RQLPJSFGWDBSFN-VQIMIIECSA-N 1 1 316.445 3.616 20 30 DHEDMO Cc1csc2c1C[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC2 ZINC000371583640 1028733561 /nfs/dbraw/zinc/73/35/61/1028733561.db2.gz ZQGVVEVCXGSXDT-CQSZACIVSA-N 1 1 312.438 3.906 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)s1 ZINC000528731270 1028736788 /nfs/dbraw/zinc/73/67/88/1028736788.db2.gz SRNOFBFTLLPDIU-LJQANCHMSA-N 1 1 324.449 3.980 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000449546070 1028779173 /nfs/dbraw/zinc/77/91/73/1028779173.db2.gz ZYAOKPRDCZGAIE-VQTJNVASSA-N 1 1 310.441 3.990 20 30 DHEDMO C=CCC1([NH2+]Cc2cn(-c3ccncc3)nc2C)CCCCC1 ZINC000449572493 1028819582 /nfs/dbraw/zinc/81/95/82/1028819582.db2.gz JXYPDYCNFJUDOY-UHFFFAOYSA-N 1 1 310.445 3.944 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077322234 1028824501 /nfs/dbraw/zinc/82/45/01/1028824501.db2.gz PMVIZYGMMDMBBN-JQHSSLGASA-N 1 1 316.420 3.723 20 30 DHEDMO C=CCC1(C[NH2+]Cc2cn(-c3ccncc3)nc2C)CCCC1 ZINC000449605691 1028850767 /nfs/dbraw/zinc/85/07/67/1028850767.db2.gz NXBZGCFLTCKGIE-UHFFFAOYSA-N 1 1 310.445 3.802 20 30 DHEDMO Cc1ccsc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000567255439 1028865176 /nfs/dbraw/zinc/86/51/76/1028865176.db2.gz YVUHRWMIWZBHDQ-UHFFFAOYSA-N 1 1 300.427 3.577 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000567403618 1028886519 /nfs/dbraw/zinc/88/65/19/1028886519.db2.gz MITNGLQDDSTKLG-OAHLLOKOSA-N 1 1 303.450 3.655 20 30 DHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cccc(F)c2C#N)c1 ZINC000567443824 1028897429 /nfs/dbraw/zinc/89/74/29/1028897429.db2.gz CXYQWTNONLJRAZ-KRWDZBQOSA-N 1 1 324.399 3.913 20 30 DHEDMO C[C@H](C(=O)Nc1ccc(CC#N)cc1Cl)[NH+]1[C@H](C)CC[C@H]1C ZINC000567469856 1028900465 /nfs/dbraw/zinc/90/04/65/1028900465.db2.gz QNDXPIFOPQYWSM-JHJVBQTASA-N 1 1 319.836 3.606 20 30 DHEDMO C[C@@H]1[C@@H](OC(=O)CC(C)(C)C#N)CCC[N@H+]1Cc1ccccc1 ZINC000816472110 1028902370 /nfs/dbraw/zinc/90/23/70/1028902370.db2.gz VAECWTOVMCITNE-WBVHZDCISA-N 1 1 314.429 3.523 20 30 DHEDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(C#N)cc1 ZINC000816532851 1028923726 /nfs/dbraw/zinc/92/37/26/1028923726.db2.gz YHDLRXYKEGHVKA-SNVBAGLBSA-N 1 1 304.752 3.907 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(CC#N)c1 ZINC000449703654 1028936690 /nfs/dbraw/zinc/93/66/90/1028936690.db2.gz UOBQIQNDXZFHCF-JXFKEZNVSA-N 1 1 305.425 3.685 20 30 DHEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567739209 1028945953 /nfs/dbraw/zinc/94/59/53/1028945953.db2.gz FROXCIAALWZGIT-KBXCAEBGSA-N 1 1 321.380 3.844 20 30 DHEDMO C=C(C)COc1cc(Cn2c[nH+]c3c2CCCC3)ccc1OC ZINC000628371288 1029020375 /nfs/dbraw/zinc/02/03/75/1029020375.db2.gz SXDOXIGEYCVWFN-UHFFFAOYSA-N 1 1 312.413 3.774 20 30 DHEDMO C=CCC1(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CCC1 ZINC000190645878 1029095887 /nfs/dbraw/zinc/09/58/87/1029095887.db2.gz AQHXTARKQOCRHR-MRXNPFEDSA-N 1 1 320.864 3.805 20 30 DHEDMO N#CC1(CCN2CC[C@@H](C[NH+]3CCCCC3)C2)CCCCC1 ZINC000411315877 1029097465 /nfs/dbraw/zinc/09/74/65/1029097465.db2.gz VMUCWTIXABSMMK-SFHVURJKSA-N 1 1 303.494 3.658 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000411325137 1029102533 /nfs/dbraw/zinc/10/25/33/1029102533.db2.gz NQCFRMNWXMDLBK-KBPBESRZSA-N 1 1 303.475 3.894 20 30 DHEDMO N#CC1(CC[N@H+](CCO)[C@@H]2CCc3ccccc32)CCCCC1 ZINC000411324544 1029103450 /nfs/dbraw/zinc/10/34/50/1029103450.db2.gz GFXCQESQWCNGNM-LJQANCHMSA-N 1 1 312.457 3.832 20 30 DHEDMO CN1CC[N@@H+](CCC2(C#N)CCCCC2)C2(CCCCC2)C1 ZINC000411327886 1029105327 /nfs/dbraw/zinc/10/53/27/1029105327.db2.gz IMAQTZABTSCYPY-UHFFFAOYSA-N 1 1 303.494 3.801 20 30 DHEDMO C[N@@H+]1CCN(CCC2(C#N)CCCCC2)C2(CCCCC2)C1 ZINC000411327886 1029105331 /nfs/dbraw/zinc/10/53/31/1029105331.db2.gz IMAQTZABTSCYPY-UHFFFAOYSA-N 1 1 303.494 3.801 20 30 DHEDMO C[N@H+]1CCN(CCC2(C#N)CCCCC2)C2(CCCCC2)C1 ZINC000411327886 1029105338 /nfs/dbraw/zinc/10/53/38/1029105338.db2.gz IMAQTZABTSCYPY-UHFFFAOYSA-N 1 1 303.494 3.801 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000817280640 1029109818 /nfs/dbraw/zinc/10/98/18/1029109818.db2.gz BUIYCOHUTGCTKN-CQSZACIVSA-N 1 1 312.335 3.753 20 30 DHEDMO CC(C)c1ncc(C[N@H+](C)CCC2(C#N)CCCCC2)cn1 ZINC000411673026 1029180163 /nfs/dbraw/zinc/18/01/63/1029180163.db2.gz KPEIXFIGGQQJOT-UHFFFAOYSA-N 1 1 300.450 3.896 20 30 DHEDMO CC(C)c1ncc(C[N@@H+](C)CCC2(C#N)CCCCC2)cn1 ZINC000411673026 1029180183 /nfs/dbraw/zinc/18/01/83/1029180183.db2.gz KPEIXFIGGQQJOT-UHFFFAOYSA-N 1 1 300.450 3.896 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OCc2ccccc2F)nc1 ZINC000569256555 1029204999 /nfs/dbraw/zinc/20/49/99/1029204999.db2.gz PEKNYSNUDUNIBO-MRXNPFEDSA-N 1 1 313.376 3.582 20 30 DHEDMO N#CC1(CC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)CCCCC1 ZINC000411801959 1029213501 /nfs/dbraw/zinc/21/35/01/1029213501.db2.gz UVRZWSFFDWITLP-KZNAEPCWSA-N 1 1 304.478 3.866 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)N[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000817970754 1029311275 /nfs/dbraw/zinc/31/12/75/1029311275.db2.gz DLPJZUNYKWNPLC-DZKIICNBSA-N 1 1 308.853 3.609 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000374369014 1029319507 /nfs/dbraw/zinc/31/95/07/1029319507.db2.gz XKFFLQNPINKAKX-QGZVFWFLSA-N 1 1 312.457 3.736 20 30 DHEDMO C[C@H](Cc1ccccc1)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000570203318 1029330691 /nfs/dbraw/zinc/33/06/91/1029330691.db2.gz FWADAEJXHBKQSX-GOSISDBHSA-N 1 1 322.452 3.885 20 30 DHEDMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000818346665 1029368156 /nfs/dbraw/zinc/36/81/56/1029368156.db2.gz HHCFKSSXBKNJNI-YHAQOWFVSA-N 1 1 316.228 3.941 20 30 DHEDMO CCN(CC1(C#N)CCC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000450337702 1029396357 /nfs/dbraw/zinc/39/63/57/1029396357.db2.gz HAAKTUIFSWQHOU-MJGOQNOKSA-N 1 1 311.473 3.838 20 30 DHEDMO N#CC1(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000450456763 1029488605 /nfs/dbraw/zinc/48/86/05/1029488605.db2.gz UIYWQHJZWNOXBH-OAQYLSRUSA-N 1 1 323.484 3.668 20 30 DHEDMO C=C[C@@H](CC)CC(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001136201192 1029515258 /nfs/dbraw/zinc/51/52/58/1029515258.db2.gz ZMAYVGFCXIJETI-QFBILLFUSA-N 1 1 314.473 3.542 20 30 DHEDMO C=CCC1(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCCC1 ZINC000450514277 1029522724 /nfs/dbraw/zinc/52/27/24/1029522724.db2.gz CSWHMOUZNLZDBQ-IRXDYDNUSA-N 1 1 318.505 3.892 20 30 DHEDMO N#CC1(C[N@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)CCC1 ZINC000450603972 1029563942 /nfs/dbraw/zinc/56/39/42/1029563942.db2.gz VLLMVTGDDAWFSC-INIZCTEOSA-N 1 1 300.377 3.557 20 30 DHEDMO N#CC1(C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)CCC1 ZINC000450603972 1029563950 /nfs/dbraw/zinc/56/39/50/1029563950.db2.gz VLLMVTGDDAWFSC-INIZCTEOSA-N 1 1 300.377 3.557 20 30 DHEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC4(C#N)CCC4)C3)nc2c1 ZINC000450634103 1029592039 /nfs/dbraw/zinc/59/20/39/1029592039.db2.gz DPJZYRRONZTYPW-HNNXBMFYSA-N 1 1 308.429 3.745 20 30 DHEDMO Cc1ccc2nc([C@H]3CCC[N@H+](CC4(C#N)CCC4)C3)[nH]c2c1 ZINC000450634103 1029592044 /nfs/dbraw/zinc/59/20/44/1029592044.db2.gz DPJZYRRONZTYPW-HNNXBMFYSA-N 1 1 308.429 3.745 20 30 DHEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](CC4(C#N)CCC4)C3)[nH]c2c1 ZINC000450634103 1029592050 /nfs/dbraw/zinc/59/20/50/1029592050.db2.gz DPJZYRRONZTYPW-HNNXBMFYSA-N 1 1 308.429 3.745 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@@H]1CCCCC1(F)F ZINC000451036507 1029769545 /nfs/dbraw/zinc/76/95/45/1029769545.db2.gz FPEQMROXLQWCHH-KRWDZBQOSA-N 1 1 322.399 3.832 20 30 DHEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC/C=C/c3ccccc3)C2)nc1 ZINC000451056622 1029778015 /nfs/dbraw/zinc/77/80/15/1029778015.db2.gz OZIKGDPLRVPRGU-RRGNZLCHSA-N 1 1 319.408 3.510 20 30 DHEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000451405318 1029868049 /nfs/dbraw/zinc/86/80/49/1029868049.db2.gz CRKXHBIWPJHGDY-TZMCWYRMSA-N 1 1 312.335 3.600 20 30 DHEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000451418962 1029872356 /nfs/dbraw/zinc/87/23/56/1029872356.db2.gz NSEHWUPVRCFPTQ-GXTWGEPZSA-N 1 1 312.335 3.600 20 30 DHEDMO CCO[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000451526846 1029898883 /nfs/dbraw/zinc/89/88/83/1029898883.db2.gz HCJJJUIQGXETHL-QAPCUYQASA-N 1 1 300.446 3.735 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C#N)Cc1cc2ccccc2o1 ZINC000530627465 1029935521 /nfs/dbraw/zinc/93/55/21/1029935521.db2.gz YWWOIMAASDUZFY-UHFFFAOYSA-N 1 1 306.365 3.815 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@@H]1CCc3cccc(F)c3C1)C2 ZINC001170983223 1029972817 /nfs/dbraw/zinc/97/28/17/1029972817.db2.gz CCEYNMAOBZVJSH-GOSISDBHSA-N 1 1 306.384 3.613 20 30 DHEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1(C)CCCCC1 ZINC001276288301 1029974678 /nfs/dbraw/zinc/97/46/78/1029974678.db2.gz HQJSPOXQBSMRAB-IAGOWNOFSA-N 1 1 304.478 3.598 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](C)CC1 ZINC000357393769 1030032042 /nfs/dbraw/zinc/03/20/42/1030032042.db2.gz XGJZNXZJDWNJLV-HOTGVXAUSA-N 1 1 320.502 3.773 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC000451969343 1030070606 /nfs/dbraw/zinc/07/06/06/1030070606.db2.gz WEVAFWZZDIXIAO-HNNXBMFYSA-N 1 1 317.383 3.663 20 30 DHEDMO N#Cc1c(C[N@H+]2CCC[C@@]3(CCSC3)C2)cn2ccccc12 ZINC000451967906 1030073250 /nfs/dbraw/zinc/07/32/50/1030073250.db2.gz RPYQITHQEKZITR-GOSISDBHSA-N 1 1 311.454 3.530 20 30 DHEDMO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1cc(C)cc(C)c1 ZINC000794877277 1030088742 /nfs/dbraw/zinc/08/87/42/1030088742.db2.gz DOGUXBQJGPBNKF-UHFFFAOYSA-N 1 1 319.412 3.826 20 30 DHEDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000357528255 1030091808 /nfs/dbraw/zinc/09/18/08/1030091808.db2.gz KICWXCFRJNHMBD-DOMZBBRYSA-N 1 1 319.836 3.803 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)C1CC1 ZINC000357552292 1030103809 /nfs/dbraw/zinc/10/38/09/1030103809.db2.gz LODUQMZEGJNHPD-UHFFFAOYSA-N 1 1 318.436 3.603 20 30 DHEDMO C=CC[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)C1CC1 ZINC000357552292 1030103813 /nfs/dbraw/zinc/10/38/13/1030103813.db2.gz LODUQMZEGJNHPD-UHFFFAOYSA-N 1 1 318.436 3.603 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000357557766 1030106046 /nfs/dbraw/zinc/10/60/46/1030106046.db2.gz ZRHGNDOWVKBRRC-CYBMUJFWSA-N 1 1 306.837 3.510 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000357557766 1030106053 /nfs/dbraw/zinc/10/60/53/1030106053.db2.gz ZRHGNDOWVKBRRC-CYBMUJFWSA-N 1 1 306.837 3.510 20 30 DHEDMO C=CCC(CC=C)C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000533142763 1030156170 /nfs/dbraw/zinc/15/61/70/1030156170.db2.gz VIPXPUSXOGIAKB-UHFFFAOYSA-N 1 1 314.473 3.782 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cccc(O)c2)cc1OC ZINC000533255579 1030225888 /nfs/dbraw/zinc/22/58/88/1030225888.db2.gz AQAVOLIWZWKBNC-UHFFFAOYSA-N 1 1 313.397 3.598 20 30 DHEDMO C=CCC(CC=C)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246111421 1030309970 /nfs/dbraw/zinc/30/99/70/1030309970.db2.gz PSQDNLDDVJPYJB-ZWKOTPCHSA-N 1 1 318.505 3.868 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC000823617927 1030343026 /nfs/dbraw/zinc/34/30/26/1030343026.db2.gz NTJZPCZXAIOOOR-ACJLOTCBSA-N 1 1 314.816 3.938 20 30 DHEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)C1CCC(F)(F)CC1 ZINC000805840819 1030405301 /nfs/dbraw/zinc/40/53/01/1030405301.db2.gz XXWYZFTVKLXYTC-UHFFFAOYSA-N 1 1 308.372 3.837 20 30 DHEDMO CC[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1ccc(F)cc1O ZINC000866618063 1030406691 /nfs/dbraw/zinc/40/66/91/1030406691.db2.gz VDCKMFOLBRFSLA-FUHWJXTLSA-N 1 1 310.372 3.611 20 30 DHEDMO N#CCCCOc1cccc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000925753541 1030482936 /nfs/dbraw/zinc/48/29/36/1030482936.db2.gz BWALLKJJKRLQCA-MOPGFXCFSA-N 1 1 313.445 3.798 20 30 DHEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccccc1OC(F)F ZINC000558246607 1030496235 /nfs/dbraw/zinc/49/62/35/1030496235.db2.gz RYQPUTGFHVFZPF-HNNXBMFYSA-N 1 1 317.339 3.796 20 30 DHEDMO CC(C)c1ccc(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)cc1 ZINC000867943445 1030504435 /nfs/dbraw/zinc/50/44/35/1030504435.db2.gz VXDPZLLKASTHLF-LJQANCHMSA-N 1 1 319.408 3.507 20 30 DHEDMO Fc1cccnc1N=NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000794980001 1030512354 /nfs/dbraw/zinc/51/23/54/1030512354.db2.gz CKJMEFFHJAMHOO-CALCHBBNSA-N 1 1 324.403 3.816 20 30 DHEDMO C=CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCC)c1ccccc1 ZINC000558281928 1030517519 /nfs/dbraw/zinc/51/75/19/1030517519.db2.gz SRMBYWOAAPJBSU-FUHWJXTLSA-N 1 1 302.462 3.583 20 30 DHEDMO COc1ccc(C[NH2+][C@@H](C)c2cccc(F)c2F)cc1C#N ZINC000121962668 1030519909 /nfs/dbraw/zinc/51/99/09/1030519909.db2.gz TYVRDLIVNAWBGV-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1ncccc1F ZINC000794989084 1030534823 /nfs/dbraw/zinc/53/48/23/1030534823.db2.gz DWFGBMQVHCNIEA-UHFFFAOYSA-N 1 1 314.408 3.777 20 30 DHEDMO CCCOc1ncccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358561288 1030536287 /nfs/dbraw/zinc/53/62/87/1030536287.db2.gz GFBMQMHCHCHBKN-ZDUSSCGKSA-N 1 1 313.376 3.732 20 30 DHEDMO N#Cc1cccc(C2([NH2+][C@H]3CCc4c3nccc4Cl)CC2)c1 ZINC000925926777 1030548980 /nfs/dbraw/zinc/54/89/80/1030548980.db2.gz RZUCQMKXYUBKQU-INIZCTEOSA-N 1 1 309.800 3.873 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1cccc(F)n1 ZINC000795005942 1030563742 /nfs/dbraw/zinc/56/37/42/1030563742.db2.gz GWVGRUQVQRGPAE-AWEZNQCLSA-N 1 1 312.392 3.531 20 30 DHEDMO CCc1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)s1 ZINC000558423746 1030571024 /nfs/dbraw/zinc/57/10/24/1030571024.db2.gz QNZJMKUPEAPACR-UHFFFAOYSA-N 1 1 314.454 3.831 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)cc1OC ZINC000536642922 1030599111 /nfs/dbraw/zinc/59/91/11/1030599111.db2.gz DCATXHCJMGFXBC-UHFFFAOYSA-N 1 1 324.424 3.988 20 30 DHEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000358734597 1030605021 /nfs/dbraw/zinc/60/50/21/1030605021.db2.gz FHHVMXOKHYDTLM-ZDUSSCGKSA-N 1 1 314.401 3.733 20 30 DHEDMO C=C(Br)C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246468378 1030607873 /nfs/dbraw/zinc/60/78/73/1030607873.db2.gz GQMATLGLLFYVAE-NWDGAFQWSA-N 1 1 316.264 3.545 20 30 DHEDMO C=C(Br)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246468378 1030607882 /nfs/dbraw/zinc/60/78/82/1030607882.db2.gz GQMATLGLLFYVAE-NWDGAFQWSA-N 1 1 316.264 3.545 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000247235706 1030684559 /nfs/dbraw/zinc/68/45/59/1030684559.db2.gz SMQONQLULQNDEO-HUUCEWRRSA-N 1 1 306.475 3.966 20 30 DHEDMO C#Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000825226570 1030751355 /nfs/dbraw/zinc/75/13/55/1030751355.db2.gz KFNVKTUXVWVDAR-PGRDOPGGSA-N 1 1 318.464 3.668 20 30 DHEDMO C#Cc1cccc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000825226570 1030751366 /nfs/dbraw/zinc/75/13/66/1030751366.db2.gz KFNVKTUXVWVDAR-PGRDOPGGSA-N 1 1 318.464 3.668 20 30 DHEDMO C#Cc1cccc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000825226570 1030751374 /nfs/dbraw/zinc/75/13/74/1030751374.db2.gz KFNVKTUXVWVDAR-PGRDOPGGSA-N 1 1 318.464 3.668 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558742176 1030763646 /nfs/dbraw/zinc/76/36/46/1030763646.db2.gz XLAJWTVUUWTOAE-CQSZACIVSA-N 1 1 309.369 3.702 20 30 DHEDMO C#Cc1cccc(C[NH2+]Cc2nc3ccccc3n2CCC)c1 ZINC000825227531 1030765254 /nfs/dbraw/zinc/76/52/54/1030765254.db2.gz UIINWXBQLQGXAF-UHFFFAOYSA-N 1 1 303.409 3.717 20 30 DHEDMO N#C[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000248756617 1030767249 /nfs/dbraw/zinc/76/72/49/1030767249.db2.gz GGMIWYUZHYEQEB-OBKBHFTKSA-N 1 1 323.484 3.854 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)OCC(C)(C)C#N)cc1)C(C)C ZINC000805913721 1030946080 /nfs/dbraw/zinc/94/60/80/1030946080.db2.gz OEHXUHOBVQLEIA-UHFFFAOYSA-N 1 1 302.418 3.623 20 30 DHEDMO CC[C@H]([NH2+][C@H]1CCCc2cccnc21)c1cccc(C#N)c1O ZINC000927062877 1031063104 /nfs/dbraw/zinc/06/31/04/1031063104.db2.gz PKQBWDXPSKZNRF-IRXDYDNUSA-N 1 1 307.397 3.777 20 30 DHEDMO C[N@@H+](CC/C=C/c1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844370563 1031074413 /nfs/dbraw/zinc/07/44/13/1031074413.db2.gz ISQLNVRBTAFGSF-JOCSGSGBSA-N 1 1 306.409 3.627 20 30 DHEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CCCSCC#N)[C@@H]2C ZINC000359652845 1031080804 /nfs/dbraw/zinc/08/08/04/1031080804.db2.gz NOKQTPCTQWQQFG-UONOGXRCSA-N 1 1 304.459 3.650 20 30 DHEDMO N#Cc1cncc(C[N@@H+](Cc2ccccn2)C2CCCCC2)c1 ZINC001144083851 1031235988 /nfs/dbraw/zinc/23/59/88/1031235988.db2.gz SNAVTGSVKHPSHA-UHFFFAOYSA-N 1 1 306.413 3.683 20 30 DHEDMO Cc1c(O)cccc1C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001144120416 1031257396 /nfs/dbraw/zinc/25/73/96/1031257396.db2.gz LFBQRLHYLXNFCU-LJQANCHMSA-N 1 1 322.408 3.616 20 30 DHEDMO C=C(C)COc1cc(C[N@H+](C)Cc2ccccn2)ccc1OC ZINC000273389073 1031279308 /nfs/dbraw/zinc/27/93/08/1031279308.db2.gz JHFIOMOAGPAXBS-UHFFFAOYSA-N 1 1 312.413 3.677 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C)Cc2ccccn2)ccc1OC ZINC000273389073 1031279325 /nfs/dbraw/zinc/27/93/25/1031279325.db2.gz JHFIOMOAGPAXBS-UHFFFAOYSA-N 1 1 312.413 3.677 20 30 DHEDMO C=CC[N@H+](Cc1ccc2[nH]cnc2c1)Cc1cccc([N+](=O)[O-])c1 ZINC000536654020 1031358807 /nfs/dbraw/zinc/35/88/07/1031358807.db2.gz XAINTMNHYDWEQQ-UHFFFAOYSA-N 1 1 322.368 3.659 20 30 DHEDMO C=CC[N@@H+](Cc1ccc2[nH]cnc2c1)Cc1cccc([N+](=O)[O-])c1 ZINC000536654020 1031358827 /nfs/dbraw/zinc/35/88/27/1031358827.db2.gz XAINTMNHYDWEQQ-UHFFFAOYSA-N 1 1 322.368 3.659 20 30 DHEDMO C=CC[N@H+](Cc1ccc2nc[nH]c2c1)Cc1cccc([N+](=O)[O-])c1 ZINC000536654020 1031358858 /nfs/dbraw/zinc/35/88/58/1031358858.db2.gz XAINTMNHYDWEQQ-UHFFFAOYSA-N 1 1 322.368 3.659 20 30 DHEDMO C=CC[N@@H+](Cc1ccc2nc[nH]c2c1)Cc1cccc([N+](=O)[O-])c1 ZINC000536654020 1031358874 /nfs/dbraw/zinc/35/88/74/1031358874.db2.gz XAINTMNHYDWEQQ-UHFFFAOYSA-N 1 1 322.368 3.659 20 30 DHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc(CC)c1)C2 ZINC001144323345 1031463575 /nfs/dbraw/zinc/46/35/75/1031463575.db2.gz YMZAROUDRZRZBT-VQTJNVASSA-N 1 1 315.457 3.575 20 30 DHEDMO C=C(CC)C[N@@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000536882975 1031469028 /nfs/dbraw/zinc/46/90/28/1031469028.db2.gz SZHGIHVHUXTKJN-UHFFFAOYSA-N 1 1 314.351 3.932 20 30 DHEDMO C=C(CC)C[N@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000536882975 1031469042 /nfs/dbraw/zinc/46/90/42/1031469042.db2.gz SZHGIHVHUXTKJN-UHFFFAOYSA-N 1 1 314.351 3.932 20 30 DHEDMO CCc1cccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC001144326736 1031478661 /nfs/dbraw/zinc/47/86/61/1031478661.db2.gz QEXRSNWGQCWITJ-UHFFFAOYSA-N 1 1 323.415 3.582 20 30 DHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCC[C@@H](C)C1 ZINC000360627739 1031497854 /nfs/dbraw/zinc/49/78/54/1031497854.db2.gz COTDLNPENVVURL-CHWSQXEVSA-N 1 1 319.836 3.661 20 30 DHEDMO N#Cc1ccc(C[N@H+](C[C@H]2CC[C@H](C(F)(F)F)O2)C2CC2)cc1 ZINC000929368011 1031504359 /nfs/dbraw/zinc/50/43/59/1031504359.db2.gz UGZJTUCIZOXEML-HZPDHXFCSA-N 1 1 324.346 3.633 20 30 DHEDMO CC[N@H+](Cc1ccc(OC)cc1OC)CC1CCC(C#N)CC1 ZINC000929386608 1031508415 /nfs/dbraw/zinc/50/84/15/1031508415.db2.gz RWTMUAJOBIBADX-UHFFFAOYSA-N 1 1 316.445 3.856 20 30 DHEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000872115201 1031508185 /nfs/dbraw/zinc/50/81/85/1031508185.db2.gz JHBZMMDPOLUFGO-NSHDSACASA-N 1 1 306.818 3.659 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360670597 1031515454 /nfs/dbraw/zinc/51/54/54/1031515454.db2.gz XRCDAODZISICOE-FQEVSTJZSA-N 1 1 322.383 3.719 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360670597 1031515466 /nfs/dbraw/zinc/51/54/66/1031515466.db2.gz XRCDAODZISICOE-FQEVSTJZSA-N 1 1 322.383 3.719 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c1F ZINC000360684399 1031518446 /nfs/dbraw/zinc/51/84/46/1031518446.db2.gz DOUBHDDRXWLOEF-HXUWFJFHSA-N 1 1 322.383 3.719 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1F ZINC000360684398 1031519317 /nfs/dbraw/zinc/51/93/17/1031519317.db2.gz DOUBHDDRXWLOEF-FQEVSTJZSA-N 1 1 322.383 3.719 20 30 DHEDMO COC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(F)cc1 ZINC000537174619 1031523610 /nfs/dbraw/zinc/52/36/10/1031523610.db2.gz UWVNYTFTVXZTLY-GOSISDBHSA-N 1 1 317.791 3.808 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(Cc2ccc(OC(C)C)cc2)no1 ZINC000872175109 1031550860 /nfs/dbraw/zinc/55/08/60/1031550860.db2.gz GSWYEQACDGAXOW-CQSZACIVSA-N 1 1 321.808 3.590 20 30 DHEDMO N#CCC[N@H+](Cc1c[nH]c2nc(Cl)ccc12)C1CCCC1 ZINC001144414444 1031552111 /nfs/dbraw/zinc/55/21/11/1031552111.db2.gz HDKRIFWIVXCINP-UHFFFAOYSA-N 1 1 302.809 3.875 20 30 DHEDMO C[C@@H](O)C[N@@H+](CCCCC1(C#N)CCC1)Cc1ccccc1 ZINC000929700436 1031583357 /nfs/dbraw/zinc/58/33/57/1031583357.db2.gz FMGDXHMETLSWRW-QGZVFWFLSA-N 1 1 300.446 3.734 20 30 DHEDMO C[C@H]([NH2+]CC1(N(C)C)CCCCC1)c1ccc(C#N)c(F)c1 ZINC000537400377 1031588988 /nfs/dbraw/zinc/58/89/88/1031588988.db2.gz YHSPFMZPBFXLSH-AWEZNQCLSA-N 1 1 303.425 3.612 20 30 DHEDMO C[C@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1ccc(C#N)c(F)c1 ZINC000537406802 1031596368 /nfs/dbraw/zinc/59/63/68/1031596368.db2.gz IYJXWLCMNMIJES-LIRRHRJNSA-N 1 1 317.452 3.858 20 30 DHEDMO N#Cc1cc(Cl)cc(C[NH+]2CCC(OCC3CC3)CC2)c1 ZINC000929759922 1031599048 /nfs/dbraw/zinc/59/90/48/1031599048.db2.gz YGCLEMSJZMWEMM-UHFFFAOYSA-N 1 1 304.821 3.603 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCSc1ccncc1 ZINC000929756957 1031599599 /nfs/dbraw/zinc/59/95/99/1031599599.db2.gz LXCRMQIJSHBPRZ-OALUTQOASA-N 1 1 323.465 3.945 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCSc1ccncc1 ZINC000929756957 1031599607 /nfs/dbraw/zinc/59/96/07/1031599607.db2.gz LXCRMQIJSHBPRZ-OALUTQOASA-N 1 1 323.465 3.945 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCc1cccnc1 ZINC000929756549 1031601043 /nfs/dbraw/zinc/60/10/43/1031601043.db2.gz HLFAWSKJSJFYAB-UXHICEINSA-N 1 1 305.425 3.786 20 30 DHEDMO CSc1nnc(SC)n1[NH+]=CC[C@@H](C)c1ccccc1 ZINC000872417380 1031603094 /nfs/dbraw/zinc/60/30/94/1031603094.db2.gz AIEHGUSNTWTMOR-LLVKDONJSA-N 1 1 306.460 3.750 20 30 DHEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)cc1F)C1CCCCC1 ZINC001144450423 1031608918 /nfs/dbraw/zinc/60/89/18/1031608918.db2.gz UMDJQEBKUSQTGO-UHFFFAOYSA-N 1 1 305.393 3.933 20 30 DHEDMO C[N@H+]1CCN(CCCCC2(C#N)CCC2)C2(CCCCC2)C1 ZINC000929799551 1031612520 /nfs/dbraw/zinc/61/25/20/1031612520.db2.gz YMFSACMWICGIMV-UHFFFAOYSA-N 1 1 303.494 3.801 20 30 DHEDMO COc1ccc2ccc(O)c(C[N@@H+](C)[C@@H]3CCC[C@H]3C#N)c2c1 ZINC000872681055 1031643905 /nfs/dbraw/zinc/64/39/05/1031643905.db2.gz DOOCVCUJOUGNBD-KBXCAEBGSA-N 1 1 310.397 3.678 20 30 DHEDMO Cc1scc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1C ZINC000897597027 1031681487 /nfs/dbraw/zinc/68/14/87/1031681487.db2.gz YVJUGGQTXIRIFX-GOSISDBHSA-N 1 1 312.438 3.810 20 30 DHEDMO Cc1scc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1C ZINC000897597027 1031681493 /nfs/dbraw/zinc/68/14/93/1031681493.db2.gz YVJUGGQTXIRIFX-GOSISDBHSA-N 1 1 312.438 3.810 20 30 DHEDMO C[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C[C@H]1n1ccnc1 ZINC000930053692 1031684976 /nfs/dbraw/zinc/68/49/76/1031684976.db2.gz BXGMYVNCXCFOJE-IAGOWNOFSA-N 1 1 300.450 3.630 20 30 DHEDMO C#Cc1ccc(CN(C)C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC001144580710 1031718705 /nfs/dbraw/zinc/71/87/05/1031718705.db2.gz FWUATNWQWOLIJJ-UHFFFAOYSA-N 1 1 310.485 3.897 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(C(F)(F)F)nc1 ZINC000873184538 1031746231 /nfs/dbraw/zinc/74/62/31/1031746231.db2.gz CZELNQWJIWGTQH-LLVKDONJSA-N 1 1 305.303 3.823 20 30 DHEDMO CCOCOc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000897625463 1031749210 /nfs/dbraw/zinc/74/92/10/1031749210.db2.gz JCUAPBDVMGYCDI-UHFFFAOYSA-N 1 1 316.426 3.625 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000897625513 1031753646 /nfs/dbraw/zinc/75/36/46/1031753646.db2.gz LJQPEOWFXQZSSX-ZDUSSCGKSA-N 1 1 311.410 3.543 20 30 DHEDMO C=CCC[N@H+](C)Cc1cncc(-c2cc(F)ccc2OC)c1 ZINC000930253032 1031760222 /nfs/dbraw/zinc/76/02/22/1031760222.db2.gz JUWGXHDNLCKHLT-UHFFFAOYSA-N 1 1 300.377 3.904 20 30 DHEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(-c2ccccc2)cn1)[C@H]1CCCO1 ZINC000845955336 1031777706 /nfs/dbraw/zinc/77/77/06/1031777706.db2.gz BZYYABDJDCGJDE-MOXGXCLJSA-N 1 1 306.409 3.580 20 30 DHEDMO C#CC[C@@H]([NH2+]Cc1cc(F)c(OC)cc1OC)c1ccccc1 ZINC000845944514 1031786280 /nfs/dbraw/zinc/78/62/80/1031786280.db2.gz CCWYWFNVVULUAI-QGZVFWFLSA-N 1 1 313.372 3.697 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000930352609 1031788507 /nfs/dbraw/zinc/78/85/07/1031788507.db2.gz ANZIJMDGPHSNPA-UHFFFAOYSA-N 1 1 315.417 3.933 20 30 DHEDMO C[N@H+](Cc1cccc(C2CC2)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006931 1031803741 /nfs/dbraw/zinc/80/37/41/1031803741.db2.gz LQFKSLNWHRAURI-HXUWFJFHSA-N 1 1 306.409 3.601 20 30 DHEDMO CC1(C)OCc2cc(C[NH2+]CC3(C#N)CCCC3)ccc2O1 ZINC000846010716 1031804370 /nfs/dbraw/zinc/80/43/70/1031804370.db2.gz NIIXETHCTUHOBC-UHFFFAOYSA-N 1 1 300.402 3.505 20 30 DHEDMO Cc1noc([C@@H]2CCCC[N@@H+]2Cc2c(C)cc(C#N)cc2C)n1 ZINC000930476285 1031836742 /nfs/dbraw/zinc/83/67/42/1031836742.db2.gz KXMXSBLCNLUIHC-KRWDZBQOSA-N 1 1 310.401 3.594 20 30 DHEDMO Cc1noc([C@@H]2CCCC[N@H+]2Cc2c(C)cc(C#N)cc2C)n1 ZINC000930476285 1031836758 /nfs/dbraw/zinc/83/67/58/1031836758.db2.gz KXMXSBLCNLUIHC-KRWDZBQOSA-N 1 1 310.401 3.594 20 30 DHEDMO Cc1cc([NH+]2CCCCCC2)ccc1Nc1nccnc1C#N ZINC000561358963 1031855863 /nfs/dbraw/zinc/85/58/63/1031855863.db2.gz QMFPZXRWCWCTLU-UHFFFAOYSA-N 1 1 307.401 3.781 20 30 DHEDMO CCCC[N@@H+](Cc1cncc(C#N)c1)[C@@H]1CCCC[C@H]1OC ZINC000930644773 1031901808 /nfs/dbraw/zinc/90/18/08/1031901808.db2.gz XHZNXLLJKCTLCV-QZTJIDSGSA-N 1 1 301.434 3.513 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)CCC1 ZINC000930706609 1031924555 /nfs/dbraw/zinc/92/45/55/1031924555.db2.gz VCOCDCMSEXODAG-ZWKOTPCHSA-N 1 1 304.478 3.724 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000930716644 1031927560 /nfs/dbraw/zinc/92/75/60/1031927560.db2.gz ZKHXFXKFVCIDSV-ROUUACIJSA-N 1 1 312.800 3.520 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000930716644 1031927573 /nfs/dbraw/zinc/92/75/73/1031927573.db2.gz ZKHXFXKFVCIDSV-ROUUACIJSA-N 1 1 312.800 3.520 20 30 DHEDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000930752298 1031939004 /nfs/dbraw/zinc/93/90/04/1031939004.db2.gz JCSBPDXIHXAZJI-IBGZPJMESA-N 1 1 309.388 3.690 20 30 DHEDMO CC[N@@H+](CC1CCC1)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000361481321 1031945267 /nfs/dbraw/zinc/94/52/67/1031945267.db2.gz LPUDZNDNLLVUJZ-LBPRGKRZSA-N 1 1 319.836 3.661 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)cc1C#N ZINC000361547705 1031979422 /nfs/dbraw/zinc/97/94/22/1031979422.db2.gz GPHGQEBJHVNOIK-MRXNPFEDSA-N 1 1 313.832 3.757 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC(=O)[C@H](C)C12CCCC2 ZINC001171231711 1032000034 /nfs/dbraw/zinc/00/00/34/1032000034.db2.gz LIQMBHOONVILPR-CVEARBPZSA-N 1 1 310.441 3.713 20 30 DHEDMO COc1cccc([C@@H]2CC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171231882 1032002682 /nfs/dbraw/zinc/00/26/82/1032002682.db2.gz NEEWTTVIGVAZPH-OXQOHEQNSA-N 1 1 320.436 3.987 20 30 DHEDMO CCCCCCCC[N@@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000931104252 1032038946 /nfs/dbraw/zinc/03/89/46/1032038946.db2.gz FTGUGJWDYCNZIE-UHFFFAOYSA-N 1 1 305.466 3.634 20 30 DHEDMO CCCCCCCC[N@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000931104252 1032038959 /nfs/dbraw/zinc/03/89/59/1032038959.db2.gz FTGUGJWDYCNZIE-UHFFFAOYSA-N 1 1 305.466 3.634 20 30 DHEDMO C#CC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C1 ZINC001172648824 1033302613 /nfs/dbraw/zinc/30/26/13/1033302613.db2.gz JTWSHRUYYUVVJD-CVEARBPZSA-N 1 1 308.466 3.510 20 30 DHEDMO C[C@]1(C[NH2+]C2CCC(C#N)CC2)CCN(Cc2ccccc2)C1 ZINC000877496366 1033325003 /nfs/dbraw/zinc/32/50/03/1033325003.db2.gz QHKMTTFNHPAOKT-LYBXBRPPSA-N 1 1 311.473 3.571 20 30 DHEDMO Cc1cccc(C)c1NC(=O)CCC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000338353970 1033330320 /nfs/dbraw/zinc/33/03/20/1033330320.db2.gz RKZAVXSLJDRWQC-CQSZACIVSA-N 1 1 313.445 3.646 20 30 DHEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(OCc2cccnc2)cc1)C1CC1 ZINC000338360165 1033332562 /nfs/dbraw/zinc/33/25/62/1033332562.db2.gz PHQPUDNIJCPJNK-INIZCTEOSA-N 1 1 321.424 3.785 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)C1CC1 ZINC000338360165 1033332575 /nfs/dbraw/zinc/33/25/75/1033332575.db2.gz PHQPUDNIJCPJNK-INIZCTEOSA-N 1 1 321.424 3.785 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000877521579 1033334933 /nfs/dbraw/zinc/33/49/33/1033334933.db2.gz CZDGZVILURHMRD-HZPDHXFCSA-N 1 1 323.481 3.696 20 30 DHEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)C1CCC(F)(F)CC1 ZINC000877533399 1033340178 /nfs/dbraw/zinc/34/01/78/1033340178.db2.gz PECZDFMGIVVHFR-UHFFFAOYSA-N 1 1 307.388 3.634 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000539390039 1033345355 /nfs/dbraw/zinc/34/53/55/1033345355.db2.gz XMVZHTFWPIDCAL-IRXDYDNUSA-N 1 1 309.498 3.685 20 30 DHEDMO Cc1ccc2c(c1)C[C@@H]([N@H+](CCC#N)Cc1cccnc1)CC2 ZINC001172827008 1033390876 /nfs/dbraw/zinc/39/08/76/1033390876.db2.gz IJJBQIMPYRIVPY-FQEVSTJZSA-N 1 1 305.425 3.663 20 30 DHEDMO Cc1ccc2c(c1)C[C@@H]([N@@H+](CCC#N)Cc1cccnc1)CC2 ZINC001172827008 1033390888 /nfs/dbraw/zinc/39/08/88/1033390888.db2.gz IJJBQIMPYRIVPY-FQEVSTJZSA-N 1 1 305.425 3.663 20 30 DHEDMO C[N@H+](Cc1cc(C#N)cnc1Cl)C[C@@H]1CCc2ccccc21 ZINC000877641005 1033393597 /nfs/dbraw/zinc/39/35/97/1033393597.db2.gz UEAXZUIQJGBOHA-HNNXBMFYSA-N 1 1 311.816 3.768 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cnc(C2CCC2)s1 ZINC000877704952 1033417365 /nfs/dbraw/zinc/41/73/65/1033417365.db2.gz YJSJPBVIBOBXOJ-UHFFFAOYSA-N 1 1 311.454 3.957 20 30 DHEDMO CCC[N@@H+](CC(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172990473 1033491814 /nfs/dbraw/zinc/49/18/14/1033491814.db2.gz OHFHKVGGXHUBOI-HOTGVXAUSA-N 1 1 323.481 3.646 20 30 DHEDMO C=C[C@@](C)(O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC001252556792 1033553227 /nfs/dbraw/zinc/55/32/27/1033553227.db2.gz FCFNAFXGHCMONS-IAQYHMDHSA-N 1 1 300.229 3.720 20 30 DHEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1CCc2ncsc2C1 ZINC001173137779 1033557208 /nfs/dbraw/zinc/55/72/08/1033557208.db2.gz MWSZHNLEFPDKKL-CRAIPNDOSA-N 1 1 308.450 3.623 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)C1 ZINC000339022135 1033558359 /nfs/dbraw/zinc/55/83/59/1033558359.db2.gz KPDACTXJLUYEPI-QLFBSQMISA-N 1 1 315.486 3.894 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@H]1C(C)(C)C)c1ccccc1 ZINC000878055121 1033567000 /nfs/dbraw/zinc/56/70/00/1033567000.db2.gz QIIJVQDYDPIWSN-AZUAARDMSA-N 1 1 312.457 3.938 20 30 DHEDMO C=CC[N@H+]([C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(C)(C)C ZINC001173191256 1033583224 /nfs/dbraw/zinc/58/32/24/1033583224.db2.gz BGECDSZVXZWXCT-LBPRGKRZSA-N 1 1 324.396 3.960 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000878151366 1033597558 /nfs/dbraw/zinc/59/75/58/1033597558.db2.gz AKXUGZDUSYTROW-IPMKNSEASA-N 1 1 310.441 3.717 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000878151366 1033597569 /nfs/dbraw/zinc/59/75/69/1033597569.db2.gz AKXUGZDUSYTROW-IPMKNSEASA-N 1 1 310.441 3.717 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000878159276 1033600530 /nfs/dbraw/zinc/60/05/30/1033600530.db2.gz HAGDISDTEXLJCW-SFHVURJKSA-N 1 1 322.493 3.614 20 30 DHEDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](CCC#N)Cc1ccccc1 ZINC001173224868 1033602497 /nfs/dbraw/zinc/60/24/97/1033602497.db2.gz HLUPMNIFTNSQCE-INIZCTEOSA-N 1 1 323.396 3.942 20 30 DHEDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](CCC#N)Cc1ccccc1 ZINC001173224868 1033602505 /nfs/dbraw/zinc/60/25/05/1033602505.db2.gz HLUPMNIFTNSQCE-INIZCTEOSA-N 1 1 323.396 3.942 20 30 DHEDMO N#CCC1(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000878191905 1033617789 /nfs/dbraw/zinc/61/77/89/1033617789.db2.gz RYHSMPWDOSCSSL-CVEARBPZSA-N 1 1 302.418 3.642 20 30 DHEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4ccc(C#N)o4)C3)nc2c1 ZINC000878323401 1033657475 /nfs/dbraw/zinc/65/74/75/1033657475.db2.gz XCCSVBOYMRAAJG-AWEZNQCLSA-N 1 1 320.396 3.716 20 30 DHEDMO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4ccc(C#N)o4)C3)[nH]c2c1 ZINC000878323401 1033657479 /nfs/dbraw/zinc/65/74/79/1033657479.db2.gz XCCSVBOYMRAAJG-AWEZNQCLSA-N 1 1 320.396 3.716 20 30 DHEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4ccc(C#N)o4)C3)[nH]c2c1 ZINC000878323401 1033657481 /nfs/dbraw/zinc/65/74/81/1033657481.db2.gz XCCSVBOYMRAAJG-AWEZNQCLSA-N 1 1 320.396 3.716 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3CCC4(CCC4)O3)CC2)cc1 ZINC000878334194 1033661702 /nfs/dbraw/zinc/66/17/02/1033661702.db2.gz QTAQECQAIMWIMG-IBGZPJMESA-N 1 1 308.425 3.749 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCCc3ccc(OC)cc3C2)CC1 ZINC001173322415 1033685346 /nfs/dbraw/zinc/68/53/46/1033685346.db2.gz DUMFJGBDSOEGGA-UHFFFAOYSA-N 1 1 315.457 3.957 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCOC[C@@H]2C2CCCCC2)CC1 ZINC001173323504 1033685824 /nfs/dbraw/zinc/68/58/24/1033685824.db2.gz ZJJRWXOGCIKIKV-CTWPCTMYSA-N 1 1 307.478 3.781 20 30 DHEDMO C=CCOC1CCC([N@@H+]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001173325285 1033686413 /nfs/dbraw/zinc/68/64/13/1033686413.db2.gz JAHTVVFIIUSYSV-UHFFFAOYSA-N 1 1 307.384 3.837 20 30 DHEDMO N#CCCOCC[N@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000339030675 1033690956 /nfs/dbraw/zinc/69/09/56/1033690956.db2.gz YLSHUCWBTLNEKK-UHFFFAOYSA-N 1 1 308.372 3.640 20 30 DHEDMO N#CCC1CCC([N@H+]2Cc3cc(Br)cnc3C2)CC1 ZINC001173338082 1033694003 /nfs/dbraw/zinc/69/40/03/1033694003.db2.gz WRNZTLIMBMCESW-UHFFFAOYSA-N 1 1 320.234 3.632 20 30 DHEDMO N#CCC1CCC([N@@H+]2Cc3cc(Br)cnc3C2)CC1 ZINC001173338082 1033694009 /nfs/dbraw/zinc/69/40/09/1033694009.db2.gz WRNZTLIMBMCESW-UHFFFAOYSA-N 1 1 320.234 3.632 20 30 DHEDMO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1C1CCC(CC#N)CC1 ZINC001173339455 1033694607 /nfs/dbraw/zinc/69/46/07/1033694607.db2.gz PFNPUAWLLASIOJ-PGYGNJIDSA-N 1 1 311.473 3.665 20 30 DHEDMO N#CCC1CCC([N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC001173339498 1033694727 /nfs/dbraw/zinc/69/47/27/1033694727.db2.gz QGPYCVSUBBNWNY-PVARCSIZSA-N 1 1 302.393 3.751 20 30 DHEDMO N#CCC1CCC([N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001173340937 1033696208 /nfs/dbraw/zinc/69/62/08/1033696208.db2.gz NLTMHUWUWIFKFY-OUNSHVDWSA-N 1 1 323.440 3.874 20 30 DHEDMO C=CCOC1CCC([NH2+][C@@H](CCC)C(=O)OC(C)(C)C)CC1 ZINC001173317809 1033708477 /nfs/dbraw/zinc/70/84/77/1033708477.db2.gz JGECPYBSFNILPD-GPANFISMSA-N 1 1 311.466 3.600 20 30 DHEDMO COC(=O)CCCC[C@H](C)[N@@H+](CCC#N)Cc1ccccc1 ZINC001173447908 1033747772 /nfs/dbraw/zinc/74/77/72/1033747772.db2.gz GQUNYZVLZXESKI-INIZCTEOSA-N 1 1 302.418 3.524 20 30 DHEDMO CC(C)C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C ZINC001173584722 1033778935 /nfs/dbraw/zinc/77/89/35/1033778935.db2.gz IKKAYADPIQALLP-CSLYMUCUSA-N 1 1 308.466 3.805 20 30 DHEDMO COc1cccc(C[N@@H+](C)C2CCC(C)(C#N)CC2)c1OC ZINC001173598685 1033783729 /nfs/dbraw/zinc/78/37/29/1033783729.db2.gz UJPABBMGOVVSJF-UHFFFAOYSA-N 1 1 302.418 3.608 20 30 DHEDMO CC1(C#N)CCC([N@@H+]2CCOC[C@H]2c2ccc(F)cc2)CC1 ZINC001173597080 1033784814 /nfs/dbraw/zinc/78/48/14/1033784814.db2.gz KSZBNIJPHUWPRW-ADKAHSJRSA-N 1 1 302.393 3.671 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCOC[C@H]2c2ccc(F)cc2)CC1 ZINC001173597080 1033784832 /nfs/dbraw/zinc/78/48/32/1033784832.db2.gz KSZBNIJPHUWPRW-ADKAHSJRSA-N 1 1 302.393 3.671 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001173601416 1033787651 /nfs/dbraw/zinc/78/76/51/1033787651.db2.gz SRYVGSAILKWOPZ-NFYVFUGESA-N 1 1 323.484 3.665 20 30 DHEDMO CC1(C#N)CCC([N@@H+]2CCn3c(-c4ccccc4)cnc3C2)CC1 ZINC001173601629 1033788358 /nfs/dbraw/zinc/78/83/58/1033788358.db2.gz XARLIIVLYUFYQI-UHFFFAOYSA-N 1 1 320.440 3.838 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCn3c(-c4ccccc4)cnc3C2)CC1 ZINC001173601629 1033788366 /nfs/dbraw/zinc/78/83/66/1033788366.db2.gz XARLIIVLYUFYQI-UHFFFAOYSA-N 1 1 320.440 3.838 20 30 DHEDMO CC[C@@H]1CC[C@H](C)[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878689086 1033801542 /nfs/dbraw/zinc/80/15/42/1033801542.db2.gz ZORGQYWWGHOEDA-HQRMLTQVSA-N 1 1 312.457 3.938 20 30 DHEDMO CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1occc1C ZINC000878711222 1033805734 /nfs/dbraw/zinc/80/57/34/1033805734.db2.gz MLNWHDRBPUORDL-HXUWFJFHSA-N 1 1 324.424 3.851 20 30 DHEDMO CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)Cc1occc1C ZINC000878711222 1033805743 /nfs/dbraw/zinc/80/57/43/1033805743.db2.gz MLNWHDRBPUORDL-HXUWFJFHSA-N 1 1 324.424 3.851 20 30 DHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000862280152 1033809760 /nfs/dbraw/zinc/80/97/60/1033809760.db2.gz GNLBBAKJUYKDMF-OAHLLOKOSA-N 1 1 311.385 3.523 20 30 DHEDMO C=CC[N@@H+](C1CCCCC1)C1CCN(CC(F)(F)F)CC1 ZINC001173671992 1033811789 /nfs/dbraw/zinc/81/17/89/1033811789.db2.gz QPPLILZKRSGWKP-UHFFFAOYSA-N 1 1 304.400 3.834 20 30 DHEDMO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cccc2Cl)C1 ZINC000878759759 1033821763 /nfs/dbraw/zinc/82/17/63/1033821763.db2.gz ADNHQTGNUNOLSG-LSDHHAIUSA-N 1 1 318.848 3.711 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2Cl)C1 ZINC000878759759 1033821777 /nfs/dbraw/zinc/82/17/77/1033821777.db2.gz ADNHQTGNUNOLSG-LSDHHAIUSA-N 1 1 318.848 3.711 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173657292 1033827937 /nfs/dbraw/zinc/82/79/37/1033827937.db2.gz JCZUPPMVLBSELA-ROUUACIJSA-N 1 1 301.430 3.797 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)c(OCC)c(OC)c2)C1 ZINC000862443199 1033855401 /nfs/dbraw/zinc/85/54/01/1033855401.db2.gz LQHDHKRIHVDMRG-CYBMUJFWSA-N 1 1 307.821 3.593 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C1 ZINC000862443701 1033855589 /nfs/dbraw/zinc/85/55/89/1033855589.db2.gz SCFPVTIURYVTPB-LJQANCHMSA-N 1 1 321.468 3.702 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000862445562 1033859454 /nfs/dbraw/zinc/85/94/54/1033859454.db2.gz XATDHFLKPBPXNL-HNNXBMFYSA-N 1 1 312.438 3.567 20 30 DHEDMO C#CC[C@H]1CC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000862445562 1033859470 /nfs/dbraw/zinc/85/94/70/1033859470.db2.gz XATDHFLKPBPXNL-HNNXBMFYSA-N 1 1 312.438 3.567 20 30 DHEDMO C=CCCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000878960239 1033879346 /nfs/dbraw/zinc/87/93/46/1033879346.db2.gz ITPNUZZMQPJGTQ-QRQLOZEOSA-N 1 1 314.473 3.725 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1 ZINC000862541297 1033884431 /nfs/dbraw/zinc/88/44/31/1033884431.db2.gz SQIFRMWDRKXOQV-CRAIPNDOSA-N 1 1 322.408 3.673 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC(F)(F)C[C@H]1C)c1ccccc1 ZINC000879053468 1033907821 /nfs/dbraw/zinc/90/78/21/1033907821.db2.gz VEIYSSGWHDFRSJ-PBHICJAKSA-N 1 1 320.383 3.547 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC(F)(F)C[C@H]1C)c1ccccc1 ZINC000879053468 1033907829 /nfs/dbraw/zinc/90/78/29/1033907829.db2.gz VEIYSSGWHDFRSJ-PBHICJAKSA-N 1 1 320.383 3.547 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1C[C@@H]2CCCC[C@@]21C)c1ccccc1 ZINC000879062216 1033911062 /nfs/dbraw/zinc/91/10/62/1033911062.db2.gz HZFZYQILGGYWGM-UFYCRDLUSA-N 1 1 310.441 3.692 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNCc2ccc(C#N)o2)cc1 ZINC000174270698 1033916688 /nfs/dbraw/zinc/91/66/88/1033916688.db2.gz ZKCCHFBMANXFMQ-MRXNPFEDSA-N 1 1 323.440 3.815 20 30 DHEDMO CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1nc(C)cs1 ZINC000174359423 1033926487 /nfs/dbraw/zinc/92/64/87/1033926487.db2.gz FBADTRYLRJOXQK-AWEZNQCLSA-N 1 1 301.415 3.573 20 30 DHEDMO C#CC[N@H+](Cc1ccc(OC)c(O)c1)[C@H]1CCc2ccccc21 ZINC000127537820 1033935922 /nfs/dbraw/zinc/93/59/22/1033935922.db2.gz BYIXSBYQHGNCQN-SFHVURJKSA-N 1 1 307.393 3.524 20 30 DHEDMO C=CC1CC[NH+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CC1 ZINC000554074691 1033951930 /nfs/dbraw/zinc/95/19/30/1033951930.db2.gz CEPZMAGUPOEOPF-KRWDZBQOSA-N 1 1 320.502 3.850 20 30 DHEDMO C=CCCC[C@H](C(=O)NCC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000879388705 1034001492 /nfs/dbraw/zinc/00/14/92/1034001492.db2.gz GCCKQBVXIFDYHQ-IBGZPJMESA-N 1 1 312.457 3.505 20 30 DHEDMO CN(C)c1ccc(/C=C\C=[NH+]NCC(F)(F)C(F)(F)F)cc1 ZINC000863183278 1034016093 /nfs/dbraw/zinc/01/60/93/1034016093.db2.gz SMDCSMJSNSFFFN-MTSIVMMLSA-N 1 1 321.293 3.539 20 30 DHEDMO N#CC1(CC[N@@H+]2Cc3cccnc3N3CCC[C@@H]3C2)CCCCC1 ZINC000879500834 1034033340 /nfs/dbraw/zinc/03/33/40/1034033340.db2.gz YXEYIGUHBATFGJ-GOSISDBHSA-N 1 1 324.472 3.730 20 30 DHEDMO CC(C)(C)OC(=O)NC[C@@]1(C(C)(C)C)CC[N@@H+](CCCC#N)C1 ZINC000879653730 1034073850 /nfs/dbraw/zinc/07/38/50/1034073850.db2.gz UUNXOPQIMQWAGW-SFHVURJKSA-N 1 1 323.481 3.553 20 30 DHEDMO C=CC(C)(C)CC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000879854792 1034141919 /nfs/dbraw/zinc/14/19/19/1034141919.db2.gz DHVRAYIVHIKUBD-HXUWFJFHSA-N 1 1 314.473 3.617 20 30 DHEDMO COCc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000339060576 1034154042 /nfs/dbraw/zinc/15/40/42/1034154042.db2.gz LKSKEIXXUSOLBT-UHFFFAOYSA-N 1 1 318.420 3.994 20 30 DHEDMO Cc1csc([C@@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000880008815 1034179318 /nfs/dbraw/zinc/17/93/18/1034179318.db2.gz HKQDJQRUGDNCEW-OAHLLOKOSA-N 1 1 316.857 3.946 20 30 DHEDMO Cc1csc([C@@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000880008815 1034179327 /nfs/dbraw/zinc/17/93/27/1034179327.db2.gz HKQDJQRUGDNCEW-OAHLLOKOSA-N 1 1 316.857 3.946 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000554552341 1034203418 /nfs/dbraw/zinc/20/34/18/1034203418.db2.gz UGBKIHOQRVOFJB-GOSISDBHSA-N 1 1 323.396 3.530 20 30 DHEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(C(F)(F)F)nc1 ZINC000880100855 1034208806 /nfs/dbraw/zinc/20/88/06/1034208806.db2.gz UHZQFTQOCNGFGX-JTQLQIEISA-N 1 1 323.293 3.962 20 30 DHEDMO C[C@H]1CCSCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000794571320 1034224204 /nfs/dbraw/zinc/22/42/04/1034224204.db2.gz ZTKHMZXZLURWHA-LBPRGKRZSA-N 1 1 310.850 3.570 20 30 DHEDMO C=CCN(C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)C(C)C ZINC000863942849 1034227163 /nfs/dbraw/zinc/22/71/63/1034227163.db2.gz CJXFQWROACEXQJ-GOSISDBHSA-N 1 1 300.446 3.532 20 30 DHEDMO Clc1ccccc1C#CC[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880319449 1034295018 /nfs/dbraw/zinc/29/50/18/1034295018.db2.gz GUQSWCLEYOVJNW-CQSZACIVSA-N 1 1 302.830 3.638 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880319449 1034295033 /nfs/dbraw/zinc/29/50/33/1034295033.db2.gz GUQSWCLEYOVJNW-CQSZACIVSA-N 1 1 302.830 3.638 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880320302 1034297600 /nfs/dbraw/zinc/29/76/00/1034297600.db2.gz RRJIAIODWNTOOI-LBPRGKRZSA-N 1 1 303.818 3.658 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880320302 1034297612 /nfs/dbraw/zinc/29/76/12/1034297612.db2.gz RRJIAIODWNTOOI-LBPRGKRZSA-N 1 1 303.818 3.658 20 30 DHEDMO C=CCCC[C@@H]([NH2+]Cc1nnnn1C(C)(C)C)c1ccccc1 ZINC000880390217 1034320167 /nfs/dbraw/zinc/32/01/67/1034320167.db2.gz OVPSUVJLMGXHAZ-MRXNPFEDSA-N 1 1 313.449 3.615 20 30 DHEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1cc(C)cs1)C2 ZINC001137154345 1034338502 /nfs/dbraw/zinc/33/85/02/1034338502.db2.gz DYRLSDGUPUFICJ-ROUUACIJSA-N 1 1 321.486 3.630 20 30 DHEDMO C=C(Br)C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000128472497 1034345972 /nfs/dbraw/zinc/34/59/72/1034345972.db2.gz NWIBRRQBSSZIHA-UHFFFAOYSA-N 1 1 324.262 3.619 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2cc(OC)c(O)c(OC)c2)CCCC1(C)C ZINC000554867113 1034381659 /nfs/dbraw/zinc/38/16/59/1034381659.db2.gz KBTIGZMOJQIOLA-QGZVFWFLSA-N 1 1 319.445 3.976 20 30 DHEDMO C[C@H](C#N)c1ccc(Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001174446119 1034389440 /nfs/dbraw/zinc/38/94/40/1034389440.db2.gz YBXPRDQNBDNTLR-MRXNPFEDSA-N 1 1 321.424 3.889 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCCc3occc3C2)cc(OC)c1O ZINC000554886043 1034389793 /nfs/dbraw/zinc/38/97/93/1034389793.db2.gz BLCVHNIIHNBHRQ-UHFFFAOYSA-N 1 1 313.397 3.671 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)c1=S ZINC000794703381 1034393943 /nfs/dbraw/zinc/39/39/43/1034393943.db2.gz CAMFQHAZRZDYAP-AWEZNQCLSA-N 1 1 308.495 3.624 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H](C(C)(C)C)C2)c1=S ZINC000794703381 1034393956 /nfs/dbraw/zinc/39/39/56/1034393956.db2.gz CAMFQHAZRZDYAP-AWEZNQCLSA-N 1 1 308.495 3.624 20 30 DHEDMO CCC[N@@H+](CCc1cccs1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000184508298 1034482258 /nfs/dbraw/zinc/48/22/58/1034482258.db2.gz NJKGPCPMSWKDMR-GOSISDBHSA-N 1 1 314.454 3.608 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)o1 ZINC000185675185 1034564972 /nfs/dbraw/zinc/56/49/72/1034564972.db2.gz DCLBOQGCUJRRDH-OAHLLOKOSA-N 1 1 302.399 3.696 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)o1 ZINC000185675185 1034564978 /nfs/dbraw/zinc/56/49/78/1034564978.db2.gz DCLBOQGCUJRRDH-OAHLLOKOSA-N 1 1 302.399 3.696 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000481228521 1034674650 /nfs/dbraw/zinc/67/46/50/1034674650.db2.gz NFWKLSGSVFGEIK-SNVBAGLBSA-N 1 1 301.217 3.828 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000481228521 1034674651 /nfs/dbraw/zinc/67/46/51/1034674651.db2.gz NFWKLSGSVFGEIK-SNVBAGLBSA-N 1 1 301.217 3.828 20 30 DHEDMO C=C(C)C[N@@H+](C)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000481269848 1034705958 /nfs/dbraw/zinc/70/59/58/1034705958.db2.gz PRTYTBWNPGLXGJ-INIZCTEOSA-N 1 1 308.425 3.663 20 30 DHEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000481277521 1034708845 /nfs/dbraw/zinc/70/88/45/1034708845.db2.gz AKZDIACJLZRPJO-UHFFFAOYSA-N 1 1 310.397 3.925 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000481277521 1034708853 /nfs/dbraw/zinc/70/88/53/1034708853.db2.gz AKZDIACJLZRPJO-UHFFFAOYSA-N 1 1 310.397 3.925 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](CC1=Cc3ccccc3OC1)C2 ZINC000600213963 1034807139 /nfs/dbraw/zinc/80/71/39/1034807139.db2.gz JISBKWLHYZJSCR-UHFFFAOYSA-N 1 1 316.404 3.587 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCc3c(O)cccc3C2)c1 ZINC000600207170 1034812184 /nfs/dbraw/zinc/81/21/84/1034812184.db2.gz JDSAAGJDGUWZSY-UHFFFAOYSA-N 1 1 322.408 3.633 20 30 DHEDMO N#CCCCOc1cccc(C[N@@H+]2CCc3c(O)cccc3C2)c1 ZINC000600207170 1034812194 /nfs/dbraw/zinc/81/21/94/1034812194.db2.gz JDSAAGJDGUWZSY-UHFFFAOYSA-N 1 1 322.408 3.633 20 30 DHEDMO C#CCCCCCC[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001175372113 1034958139 /nfs/dbraw/zinc/95/81/39/1034958139.db2.gz QVKPWBLCEQEJOA-IBGZPJMESA-N 1 1 312.457 3.996 20 30 DHEDMO C=CCn1c2ccccc2nc1SCC[C@@H]1CCC[N@@H+]1C ZINC000555947247 1034979869 /nfs/dbraw/zinc/97/98/69/1034979869.db2.gz KTNLUBPRFOWTOU-AWEZNQCLSA-N 1 1 301.459 3.799 20 30 DHEDMO N#Cc1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc1F ZINC001175505810 1035016457 /nfs/dbraw/zinc/01/64/57/1035016457.db2.gz IDAGIOZGGBHGFK-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO COc1cc(C#N)cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001175506677 1035020065 /nfs/dbraw/zinc/02/00/65/1035020065.db2.gz CDUDNODDWBFBEG-UHFFFAOYSA-N 1 1 319.408 3.769 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001175532458 1035028700 /nfs/dbraw/zinc/02/87/00/1035028700.db2.gz PAJIYWPDSOKBMM-LEWJYISDSA-N 1 1 320.436 3.953 20 30 DHEDMO C[N@H+]1CCC=C(Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001175577494 1035048578 /nfs/dbraw/zinc/04/85/78/1035048578.db2.gz AAIGDHABCWMZNF-UHFFFAOYSA-N 1 1 305.381 3.982 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001175578035 1035050730 /nfs/dbraw/zinc/05/07/30/1035050730.db2.gz LZNJQMVXOWZIMG-HZPDHXFCSA-N 1 1 308.466 3.674 20 30 DHEDMO Cc1cc(C#N)cc(C)c1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175859530 1035146076 /nfs/dbraw/zinc/14/60/76/1035146076.db2.gz MEHSQKDGLOEZFH-UHFFFAOYSA-N 1 1 321.424 3.751 20 30 DHEDMO Cc1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc(C)c1N ZINC001175930761 1035164517 /nfs/dbraw/zinc/16/45/17/1035164517.db2.gz BXSXNDWOTJNLMU-UHFFFAOYSA-N 1 1 312.442 3.550 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000482862747 1035189492 /nfs/dbraw/zinc/18/94/92/1035189492.db2.gz SWPGCIHDJSLZBJ-KBPBESRZSA-N 1 1 304.459 3.634 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000482862750 1035189828 /nfs/dbraw/zinc/18/98/28/1035189828.db2.gz SWPGCIHDJSLZBJ-UONOGXRCSA-N 1 1 304.459 3.634 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cncc(C4CC4)c3)sc2C1 ZINC001176281680 1035233417 /nfs/dbraw/zinc/23/34/17/1035233417.db2.gz BAPQNFIZTJRYCL-UHFFFAOYSA-N 1 1 310.426 3.624 20 30 DHEDMO C=CCCn1cc(C[N@@H+]2CC3(CCCCC3)[C@H]2C(C)C)nn1 ZINC000668236140 1035257670 /nfs/dbraw/zinc/25/76/70/1035257670.db2.gz AYRKEEFVXZTDQO-QGZVFWFLSA-N 1 1 302.466 3.645 20 30 DHEDMO C=CCCn1cc(C[N@H+]2CC3(CCCCC3)[C@H]2C(C)C)nn1 ZINC000668236140 1035257675 /nfs/dbraw/zinc/25/76/75/1035257675.db2.gz AYRKEEFVXZTDQO-QGZVFWFLSA-N 1 1 302.466 3.645 20 30 DHEDMO C#CC[N@@H+](C[C@@H]1CC[C@H](C2CC2)O1)[C@H]1CCCc2ccccc21 ZINC001176452371 1035271736 /nfs/dbraw/zinc/27/17/36/1035271736.db2.gz KDVNRQAOVZLFMF-SESVDKBCSA-N 1 1 309.453 3.957 20 30 DHEDMO C[N@@H+](CCOc1ccc(Cl)c(F)c1)Cc1cccc(C#N)c1 ZINC000483517402 1035277464 /nfs/dbraw/zinc/27/74/64/1035277464.db2.gz IZXNCRVEZOEQMG-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1F ZINC000483687989 1035291548 /nfs/dbraw/zinc/29/15/48/1035291548.db2.gz SCMNTIWNEJSJPN-CQSZACIVSA-N 1 1 316.326 3.965 20 30 DHEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC001176665870 1035310349 /nfs/dbraw/zinc/31/03/49/1035310349.db2.gz ZOTLFIYRMMACQE-WFASDCNBSA-N 1 1 312.866 3.727 20 30 DHEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CC#Cc2ccccc2)c1 ZINC000483962783 1035311039 /nfs/dbraw/zinc/31/10/39/1035311039.db2.gz PIKRFTKKPSJWDA-NRFANRHFSA-N 1 1 304.437 3.941 20 30 DHEDMO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000483965228 1035313197 /nfs/dbraw/zinc/31/31/97/1035313197.db2.gz YTFYRDVOJATDQY-LJQANCHMSA-N 1 1 321.395 3.772 20 30 DHEDMO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000483965228 1035313204 /nfs/dbraw/zinc/31/32/04/1035313204.db2.gz YTFYRDVOJATDQY-LJQANCHMSA-N 1 1 321.395 3.772 20 30 DHEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741129 1035317708 /nfs/dbraw/zinc/31/77/08/1035317708.db2.gz ISAYJRQRIJRGDN-MRXNPFEDSA-N 1 1 319.408 3.892 20 30 DHEDMO C=CC[N@H+](CC(=O)NCc1ccccc1F)CC1CCCCC1 ZINC000484517528 1035353575 /nfs/dbraw/zinc/35/35/75/1035353575.db2.gz SSGBVKFTCAECQE-UHFFFAOYSA-N 1 1 318.436 3.510 20 30 DHEDMO C=CC[N@H+](CCCc1ccccc1Br)CCOC ZINC000484556837 1035361724 /nfs/dbraw/zinc/36/17/24/1035361724.db2.gz LQEWHHVFVPQZJR-UHFFFAOYSA-N 1 1 312.251 3.516 20 30 DHEDMO C=CCOc1cccc(CNC[C@H]2CCCC[N@H+]2CCCC)c1 ZINC001177743028 1035390019 /nfs/dbraw/zinc/39/00/19/1035390019.db2.gz KDBFEEKEOFYCFW-LJQANCHMSA-N 1 1 316.489 3.996 20 30 DHEDMO C=CCOc1cccc(CNC[C@H]2CCCC[N@@H+]2CCCC)c1 ZINC001177743028 1035390022 /nfs/dbraw/zinc/39/00/22/1035390022.db2.gz KDBFEEKEOFYCFW-LJQANCHMSA-N 1 1 316.489 3.996 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccccc2OC(F)F)no1 ZINC000904547155 1035424679 /nfs/dbraw/zinc/42/46/79/1035424679.db2.gz AYTBEXDJYHDUGH-NSHDSACASA-N 1 1 309.316 3.694 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(OC(C)C)c2)no1 ZINC000904583634 1035426934 /nfs/dbraw/zinc/42/69/34/1035426934.db2.gz LFJVAZFWOXFDJB-OAHLLOKOSA-N 1 1 301.390 3.880 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cc(OC)nc3ccccc32)no1 ZINC000904619243 1035432221 /nfs/dbraw/zinc/43/22/21/1035432221.db2.gz WYMOHJRJRPDBOD-CQSZACIVSA-N 1 1 324.384 3.650 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H](C)c2c(F)cccc2F)no1 ZINC000904614241 1035436141 /nfs/dbraw/zinc/43/61/41/1035436141.db2.gz OSHXZKGDJHWCOX-GXFFZTMASA-N 1 1 307.344 3.856 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H](C)c2c(F)cccc2F)no1 ZINC000904614244 1035436264 /nfs/dbraw/zinc/43/62/64/1035436264.db2.gz OSHXZKGDJHWCOX-ZWNOBZJWSA-N 1 1 307.344 3.856 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(Cl)cc2OC)no1 ZINC000904699878 1035445310 /nfs/dbraw/zinc/44/53/10/1035445310.db2.gz MAEFWOKWBUQOHC-GFCCVEGCSA-N 1 1 307.781 3.755 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc([C@H](OCC)c2ccccc2)no1 ZINC000904700253 1035446376 /nfs/dbraw/zinc/44/63/76/1035446376.db2.gz LDZCAGIDEMVMJI-LSDHHAIUSA-N 1 1 301.390 3.552 20 30 DHEDMO C#Cc1ccc(C[NH2+]Cc2cc(-c3ccc(F)cc3F)on2)cc1 ZINC001179502839 1035481976 /nfs/dbraw/zinc/48/19/76/1035481976.db2.gz ZTHCJCRUNORZEP-UHFFFAOYSA-N 1 1 324.330 3.891 20 30 DHEDMO CCCCCCC[C@H](C)NC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001192931400 1035521454 /nfs/dbraw/zinc/52/14/54/1035521454.db2.gz OTTQWDNTLQKYSL-IRXDYDNUSA-N 1 1 309.498 3.615 20 30 DHEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC001179920558 1035549030 /nfs/dbraw/zinc/54/90/30/1035549030.db2.gz USTHNJMNXYLQHL-QZTJIDSGSA-N 1 1 316.445 3.592 20 30 DHEDMO C=CCC1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCC1 ZINC000189909495 1035580775 /nfs/dbraw/zinc/58/07/75/1035580775.db2.gz MLLYAODPXMMUDM-UHFFFAOYSA-N 1 1 318.505 3.847 20 30 DHEDMO C#Cc1ccc(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001180143316 1035596806 /nfs/dbraw/zinc/59/68/06/1035596806.db2.gz VWQDYAQKLKHBSN-MOPGFXCFSA-N 1 1 318.464 3.763 20 30 DHEDMO C#Cc1ccc(C[N@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1 ZINC001180143316 1035596819 /nfs/dbraw/zinc/59/68/19/1035596819.db2.gz VWQDYAQKLKHBSN-MOPGFXCFSA-N 1 1 318.464 3.763 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1 ZINC001180143316 1035596838 /nfs/dbraw/zinc/59/68/38/1035596838.db2.gz VWQDYAQKLKHBSN-MOPGFXCFSA-N 1 1 318.464 3.763 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)cc1C#N ZINC000535387315 1035607231 /nfs/dbraw/zinc/60/72/31/1035607231.db2.gz MEEJWAAWKQRNQM-HNAYVOBHSA-N 1 1 306.409 3.945 20 30 DHEDMO Cc1cc(O)c(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1Cl ZINC001180171075 1035619047 /nfs/dbraw/zinc/61/90/47/1035619047.db2.gz UWPNSKKMESSMFD-UHFFFAOYSA-N 1 1 300.789 3.858 20 30 DHEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC001193460209 1035636941 /nfs/dbraw/zinc/63/69/41/1035636941.db2.gz KUCXTJGSZCKEKE-IRXDYDNUSA-N 1 1 316.445 3.846 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(O)c(F)c1F ZINC001180280548 1035644658 /nfs/dbraw/zinc/64/46/58/1035644658.db2.gz KSILAICEPWKGSG-UHFFFAOYSA-N 1 1 303.352 3.901 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2ccc(Cl)c(F)c2)ccc1C#N ZINC000442888172 1035694435 /nfs/dbraw/zinc/69/44/35/1035694435.db2.gz FIACYHBCRPYEKP-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000325425424 1035720179 /nfs/dbraw/zinc/72/01/79/1035720179.db2.gz XYJKQQSTBFJNDA-HNNXBMFYSA-N 1 1 324.424 3.638 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000539440421 1035731254 /nfs/dbraw/zinc/73/12/54/1035731254.db2.gz JMXWSHABOBREAO-HKUYNNGSSA-N 1 1 314.473 3.760 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000539440423 1035732133 /nfs/dbraw/zinc/73/21/33/1035732133.db2.gz JMXWSHABOBREAO-MJGOQNOKSA-N 1 1 314.473 3.760 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(C(=O)OCc2ccccc2)[nH]1)C1CC1 ZINC001180708073 1035748586 /nfs/dbraw/zinc/74/85/86/1035748586.db2.gz QAXVBXKMPKVKTA-UHFFFAOYSA-N 1 1 310.397 3.522 20 30 DHEDMO CCN(CC)[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)CC(C)C ZINC000539499938 1035752153 /nfs/dbraw/zinc/75/21/53/1035752153.db2.gz TUASUVLGSGLAJG-VQIMIIECSA-N 1 1 301.478 3.965 20 30 DHEDMO C=CC[N@@H+](C)CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000494639854 1035756238 /nfs/dbraw/zinc/75/62/38/1035756238.db2.gz XRAKCSCRGOWIDB-INIZCTEOSA-N 1 1 306.425 3.537 20 30 DHEDMO C=CC[N@H+](C)CC(=O)N[C@@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000494639854 1035756254 /nfs/dbraw/zinc/75/62/54/1035756254.db2.gz XRAKCSCRGOWIDB-INIZCTEOSA-N 1 1 306.425 3.537 20 30 DHEDMO C=CC[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000494685593 1035770544 /nfs/dbraw/zinc/77/05/44/1035770544.db2.gz NTLWSFKQVRLIFV-GOSISDBHSA-N 1 1 314.473 3.765 20 30 DHEDMO C=CC[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000494685593 1035770555 /nfs/dbraw/zinc/77/05/55/1035770555.db2.gz NTLWSFKQVRLIFV-GOSISDBHSA-N 1 1 314.473 3.765 20 30 DHEDMO C=C(C)C[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)Cc1ccccc1 ZINC001194052062 1035817204 /nfs/dbraw/zinc/81/72/04/1035817204.db2.gz NJCYDTAPBQNRNF-GOSISDBHSA-N 1 1 316.489 3.958 20 30 DHEDMO C=C(C)C[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)Cc1ccccc1 ZINC001194052062 1035817185 /nfs/dbraw/zinc/81/71/85/1035817185.db2.gz NJCYDTAPBQNRNF-GOSISDBHSA-N 1 1 316.489 3.958 20 30 DHEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001194165739 1035854065 /nfs/dbraw/zinc/85/40/65/1035854065.db2.gz VAHNVNHTCSCWCA-DLBZAZTESA-N 1 1 308.466 3.676 20 30 DHEDMO C#CC[N@@H+](Cc1cccc(O)c1OC)[C@@H]1CCc2ccccc21 ZINC001233257083 1035866202 /nfs/dbraw/zinc/86/62/02/1035866202.db2.gz MQMSENFZKXUPCD-GOSISDBHSA-N 1 1 307.393 3.524 20 30 DHEDMO C#CC[N@H+](Cc1cccc(O)c1OC)[C@@H]1CCc2ccccc21 ZINC001233257083 1035866223 /nfs/dbraw/zinc/86/62/23/1035866223.db2.gz MQMSENFZKXUPCD-GOSISDBHSA-N 1 1 307.393 3.524 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc2[nH]cnc2c1 ZINC000539823253 1035878298 /nfs/dbraw/zinc/87/82/98/1035878298.db2.gz XMFNOYJWGOSPHY-YLJYHZDGSA-N 1 1 316.408 3.835 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC000539823253 1035878323 /nfs/dbraw/zinc/87/83/23/1035878323.db2.gz XMFNOYJWGOSPHY-YLJYHZDGSA-N 1 1 316.408 3.835 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC000539823253 1035878334 /nfs/dbraw/zinc/87/83/34/1035878334.db2.gz XMFNOYJWGOSPHY-YLJYHZDGSA-N 1 1 316.408 3.835 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC001181314467 1035890406 /nfs/dbraw/zinc/89/04/06/1035890406.db2.gz FYVWXFDWTIQBJG-GOSISDBHSA-N 1 1 324.424 3.912 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1Cl ZINC000539864357 1035909766 /nfs/dbraw/zinc/90/97/66/1035909766.db2.gz YWMVHFPWZCAQCX-INIZCTEOSA-N 1 1 311.853 3.744 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)cc1 ZINC001204297296 1035914232 /nfs/dbraw/zinc/91/42/32/1035914232.db2.gz KKVZIFAPICGNFY-OAHLLOKOSA-N 1 1 317.326 3.975 20 30 DHEDMO C[C@@H]1CCC[C@@H](CC[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC001194745046 1036002308 /nfs/dbraw/zinc/00/23/08/1036002308.db2.gz KEZPRMXXUPEPDU-SOLBZPMBSA-N 1 1 313.445 3.623 20 30 DHEDMO C=CCC[C@H]([NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)C(=O)OCC ZINC001181828410 1036011591 /nfs/dbraw/zinc/01/15/91/1036011591.db2.gz SAEDIHSBSLOADQ-QYZOEREBSA-N 1 1 315.457 3.885 20 30 DHEDMO CCCCCCCCCOC(=O)NC1CC[NH+](CCF)CC1 ZINC001194920899 1036078572 /nfs/dbraw/zinc/07/85/72/1036078572.db2.gz RKZLGXIZKKWAFB-UHFFFAOYSA-N 1 1 316.461 3.897 20 30 DHEDMO CCc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000761757381 1036089723 /nfs/dbraw/zinc/08/97/23/1036089723.db2.gz KJZRWKWFJNYYIV-HXUWFJFHSA-N 1 1 306.409 3.694 20 30 DHEDMO CCc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000761757381 1036089733 /nfs/dbraw/zinc/08/97/33/1036089733.db2.gz KJZRWKWFJNYYIV-HXUWFJFHSA-N 1 1 306.409 3.694 20 30 DHEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)/N=C\c1cc(Cl)ccc1O ZINC000775630471 1036116622 /nfs/dbraw/zinc/11/66/22/1036116622.db2.gz LNGXUHJIFMLVJX-LPKQHDGYSA-N 1 1 316.832 3.985 20 30 DHEDMO C#CCCCCCCCCC(=O)N1CC[C@H]([N@H+](C)C(C)C)C1 ZINC001182186556 1036121549 /nfs/dbraw/zinc/12/15/49/1036121549.db2.gz OPHJOOLTBMZICM-SFHVURJKSA-N 1 1 306.494 3.682 20 30 DHEDMO C[C@@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000540708419 1036135806 /nfs/dbraw/zinc/13/58/06/1036135806.db2.gz SBFCCCXBBVVVJZ-DYVFJYSZSA-N 1 1 305.441 3.714 20 30 DHEDMO C[C@@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000540708419 1036135811 /nfs/dbraw/zinc/13/58/11/1036135811.db2.gz SBFCCCXBBVVVJZ-DYVFJYSZSA-N 1 1 305.441 3.714 20 30 DHEDMO C=CCC[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000495010115 1036182574 /nfs/dbraw/zinc/18/25/74/1036182574.db2.gz WIHWSZOSCRAVIG-PKOBYXMFSA-N 1 1 314.473 3.727 20 30 DHEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001195464487 1036252996 /nfs/dbraw/zinc/25/29/96/1036252996.db2.gz VSALEFIYKGGLDW-SFHVURJKSA-N 1 1 320.436 3.896 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)c1ccc(F)cc1Cl ZINC000775657090 1036256408 /nfs/dbraw/zinc/25/64/08/1036256408.db2.gz GDNYZMFEVXGQFL-KRWDZBQOSA-N 1 1 323.795 3.836 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc2ccc(Cl)cn12 ZINC000495110284 1036259378 /nfs/dbraw/zinc/25/93/78/1036259378.db2.gz SBWADUDPASHBCE-UHFFFAOYSA-N 1 1 315.804 3.811 20 30 DHEDMO C=C(C)COCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774258907 1036262629 /nfs/dbraw/zinc/26/26/29/1036262629.db2.gz UORXMAWBCITHJR-JTQLQIEISA-N 1 1 304.217 3.942 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC001195548496 1036280021 /nfs/dbraw/zinc/28/00/21/1036280021.db2.gz XTDAWYLJAJZAAT-LJQANCHMSA-N 1 1 305.425 3.950 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1c(Cl)ccnc1F ZINC001182435569 1036298329 /nfs/dbraw/zinc/29/83/29/1036298329.db2.gz WRJJLOUKZYDCAY-INIZCTEOSA-N 1 1 315.779 3.913 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC001195695464 1036316735 /nfs/dbraw/zinc/31/67/35/1036316735.db2.gz XJBTVMHOKUTVTP-AWEZNQCLSA-N 1 1 324.399 3.868 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ncccc1C(F)(F)F ZINC000495185061 1036323124 /nfs/dbraw/zinc/32/31/24/1036323124.db2.gz SMIJFYXZWNEPJP-UHFFFAOYSA-N 1 1 310.319 3.924 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000464435716 1036355625 /nfs/dbraw/zinc/35/56/25/1036355625.db2.gz GDTPVPHTCCFXTI-BQFCYCMXSA-N 1 1 300.446 3.540 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC001182508029 1036368142 /nfs/dbraw/zinc/36/81/42/1036368142.db2.gz IPXSCFKJHFMKLL-HOTGVXAUSA-N 1 1 308.466 3.903 20 30 DHEDMO C[N@@H+](Cc1cccc(F)c1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC001195876241 1036374428 /nfs/dbraw/zinc/37/44/28/1036374428.db2.gz HIGMZBAJXGJZHS-INIZCTEOSA-N 1 1 318.779 3.516 20 30 DHEDMO C[N@H+](Cc1cccc(F)c1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC001195876241 1036374443 /nfs/dbraw/zinc/37/44/43/1036374443.db2.gz HIGMZBAJXGJZHS-INIZCTEOSA-N 1 1 318.779 3.516 20 30 DHEDMO C[C@H](C#N)C[NH2+]Cc1cccc(OCCCc2ccccc2)c1 ZINC000541764231 1036422751 /nfs/dbraw/zinc/42/27/51/1036422751.db2.gz WDFPYQLIRRNGBQ-QGZVFWFLSA-N 1 1 308.425 3.947 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCCC(CC)(CC)C2)cc1 ZINC001196114250 1036456728 /nfs/dbraw/zinc/45/67/28/1036456728.db2.gz MWOGVIQQCAVEEU-UHFFFAOYSA-N 1 1 312.457 3.899 20 30 DHEDMO N#CCC1CC[NH+](Cc2coc(-c3c(F)cccc3F)n2)CC1 ZINC000541948018 1036471011 /nfs/dbraw/zinc/47/10/11/1036471011.db2.gz CSLCMRFLJYLELS-UHFFFAOYSA-N 1 1 317.339 3.745 20 30 DHEDMO C=CCCCNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001182939831 1036496157 /nfs/dbraw/zinc/49/61/57/1036496157.db2.gz YEYSBFHRPDHMCT-UHFFFAOYSA-N 1 1 322.452 3.771 20 30 DHEDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1ccc(C#N)cc1OC(F)F ZINC001196666996 1036589812 /nfs/dbraw/zinc/58/98/12/1036589812.db2.gz ONBOGYUBWZXNAS-YOEHRIQHSA-N 1 1 306.356 3.924 20 30 DHEDMO Cc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC001196832915 1036624407 /nfs/dbraw/zinc/62/44/07/1036624407.db2.gz ONJQWBDIZAGCMT-IUODEOHRSA-N 1 1 307.235 3.882 20 30 DHEDMO Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC001196832915 1036624414 /nfs/dbraw/zinc/62/44/14/1036624414.db2.gz ONJQWBDIZAGCMT-IUODEOHRSA-N 1 1 307.235 3.882 20 30 DHEDMO CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000030144468 1036630997 /nfs/dbraw/zinc/63/09/97/1036630997.db2.gz CVUIROWMIIUUMB-ZDUSSCGKSA-N 1 1 319.836 3.662 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c1F ZINC000774663694 1036652739 /nfs/dbraw/zinc/65/27/39/1036652739.db2.gz OVVBRBKBGOBWHF-ICSRJNTNSA-N 1 1 324.399 3.785 20 30 DHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000246390910 1036666563 /nfs/dbraw/zinc/66/65/63/1036666563.db2.gz PGISDBFGODPDKQ-OXQOHEQNSA-N 1 1 323.440 3.708 20 30 DHEDMO C=CCN(C(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC001183751941 1036671116 /nfs/dbraw/zinc/67/11/16/1036671116.db2.gz ZXWBHCHGBKROEB-LJQANCHMSA-N 1 1 312.457 3.608 20 30 DHEDMO C=CCN(C(=O)[C@H]1CC[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC001183751941 1036671127 /nfs/dbraw/zinc/67/11/27/1036671127.db2.gz ZXWBHCHGBKROEB-LJQANCHMSA-N 1 1 312.457 3.608 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC001197020326 1036673812 /nfs/dbraw/zinc/67/38/12/1036673812.db2.gz DNSRFDITRVSHDX-IYBDPMFKSA-N 1 1 305.343 3.955 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000774684194 1036679136 /nfs/dbraw/zinc/67/91/36/1036679136.db2.gz VPIRXOSFBJHVSG-OWCLPIDISA-N 1 1 310.482 3.966 20 30 DHEDMO C[N@@H+](CCCC(C)(C)C#N)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000495518273 1036697116 /nfs/dbraw/zinc/69/71/16/1036697116.db2.gz XZFCMUJFOCWVMK-HNNXBMFYSA-N 1 1 323.481 3.551 20 30 DHEDMO CCCCCCCC[C@H]1C[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001273739096 1036711327 /nfs/dbraw/zinc/71/13/27/1036711327.db2.gz XHWAJOYUIDNZSI-XLAORIBOSA-N 1 1 306.494 3.536 20 30 DHEDMO CCCC#CC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001184270497 1036780092 /nfs/dbraw/zinc/78/00/92/1036780092.db2.gz RDUHONQOASPTBG-UHFFFAOYSA-N 1 1 318.420 3.944 20 30 DHEDMO CCCC#CC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001184270497 1036780111 /nfs/dbraw/zinc/78/01/11/1036780111.db2.gz RDUHONQOASPTBG-UHFFFAOYSA-N 1 1 318.420 3.944 20 30 DHEDMO Cc1ccc(-n2cnc3c2CC[N@@H+](CCCC(C)(C)C#N)C3)cc1 ZINC000487960597 1036789056 /nfs/dbraw/zinc/78/90/56/1036789056.db2.gz UNVKVOQIYARNDW-UHFFFAOYSA-N 1 1 322.456 3.869 20 30 DHEDMO C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCC(C)(C)C#N ZINC000495641467 1036805659 /nfs/dbraw/zinc/80/56/59/1036805659.db2.gz PNRXHTIKDRRBFV-CQSZACIVSA-N 1 1 315.417 3.576 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2Cl)C1 ZINC001197702181 1036849231 /nfs/dbraw/zinc/84/92/31/1036849231.db2.gz UMPMIMKCMWLDJC-LLVKDONJSA-N 1 1 312.638 3.948 20 30 DHEDMO C[C@H]([NH2+]Cc1nc2c(s1)C[C@H](C)CC2)c1ccc(C#N)cc1 ZINC000152092029 1036862592 /nfs/dbraw/zinc/86/25/92/1036862592.db2.gz HOOAXLUDCXLOSS-OLZOCXBDSA-N 1 1 311.454 3.990 20 30 DHEDMO Cc1cc(C[NH2+][C@H](CN2CCCC2)c2ccccc2)ccc1C#N ZINC000488120407 1036866452 /nfs/dbraw/zinc/86/64/52/1036866452.db2.gz COHKQPVNVBPGKB-OAQYLSRUSA-N 1 1 319.452 3.793 20 30 DHEDMO Cc1cc(C[N@H+](Cc2ccccc2)[C@H](CO)C(C)C)ccc1C#N ZINC000488189359 1036890301 /nfs/dbraw/zinc/89/03/01/1036890301.db2.gz ZCFIMXCOLCZAJY-OAQYLSRUSA-N 1 1 322.452 3.886 20 30 DHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)Cc1ccccc1 ZINC000488344141 1036983591 /nfs/dbraw/zinc/98/35/91/1036983591.db2.gz LFIUZKFUGPXAEG-NRFANRHFSA-N 1 1 322.452 3.620 20 30 DHEDMO Cc1cc(C[NH2+]Cc2nc3cccc(Cl)c3n2C)ccc1C#N ZINC000444000553 1036999358 /nfs/dbraw/zinc/99/93/58/1036999358.db2.gz HDOTWYRPOHCPHV-UHFFFAOYSA-N 1 1 324.815 3.697 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000488418699 1037002908 /nfs/dbraw/zinc/00/29/08/1037002908.db2.gz NVSWXQFZXBRHQR-MRXNPFEDSA-N 1 1 308.425 3.938 20 30 DHEDMO CCC(CC)C[N@H+](CC)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000488515136 1037065001 /nfs/dbraw/zinc/06/50/01/1037065001.db2.gz PDNHJLRNVHMRCF-QGZVFWFLSA-N 1 1 302.418 3.530 20 30 DHEDMO CCC(CC)C[N@@H+](CC)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000488515136 1037065021 /nfs/dbraw/zinc/06/50/21/1037065021.db2.gz PDNHJLRNVHMRCF-QGZVFWFLSA-N 1 1 302.418 3.530 20 30 DHEDMO CC[N@H+](Cc1ccoc1C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000193759574 1037174554 /nfs/dbraw/zinc/17/45/54/1037174554.db2.gz OLSXNEUGSRSELM-CYBMUJFWSA-N 1 1 312.369 3.521 20 30 DHEDMO CC[N@@H+](Cc1ccoc1C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000193759574 1037174565 /nfs/dbraw/zinc/17/45/65/1037174565.db2.gz OLSXNEUGSRSELM-CYBMUJFWSA-N 1 1 312.369 3.521 20 30 DHEDMO C=CCC(CC=C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000176894426 1037186784 /nfs/dbraw/zinc/18/67/84/1037186784.db2.gz YAVMNIWYVDRIER-KRWDZBQOSA-N 1 1 320.864 3.827 20 30 DHEDMO C[N@H+]1CC[C@H](Nc2cc(F)ccc2C#N)[C@@H]1c1ccc(F)cc1 ZINC001185818777 1037250924 /nfs/dbraw/zinc/25/09/24/1037250924.db2.gz CYWUSPBMTGBVBH-WMZOPIPTSA-N 1 1 313.351 3.694 20 30 DHEDMO C[N@H+]1CC[C@@H](Nc2cc(F)ccc2C#N)[C@H]1c1ccc(F)cc1 ZINC001185818776 1037252063 /nfs/dbraw/zinc/25/20/63/1037252063.db2.gz CYWUSPBMTGBVBH-SJLPKXTDSA-N 1 1 313.351 3.694 20 30 DHEDMO C=CCN(C(=O)c1c[nH+]ccc1N1CCCC1)C1CCCCC1 ZINC001199369720 1037251975 /nfs/dbraw/zinc/25/19/75/1037251975.db2.gz SIHUKYOSJJXWKI-UHFFFAOYSA-N 1 1 313.445 3.643 20 30 DHEDMO C[C@@H]1C[C@@H](C[N@@H+](C)CC(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC000496136077 1037426050 /nfs/dbraw/zinc/42/60/50/1037426050.db2.gz YEAZTGODWAYOCF-CABCVRRESA-N 1 1 323.481 3.504 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000489440077 1037433914 /nfs/dbraw/zinc/43/39/14/1037433914.db2.gz ORFUWJMADDOITC-PKOBYXMFSA-N 1 1 312.457 3.611 20 30 DHEDMO CC[N@@H+](CCOCC(F)(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000194309007 1037442132 /nfs/dbraw/zinc/44/21/32/1037442132.db2.gz RPNQSUNAGNNVOK-LBPRGKRZSA-N 1 1 300.324 3.520 20 30 DHEDMO C=CCC[C@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)c1ccccc1 ZINC000489582319 1037486012 /nfs/dbraw/zinc/48/60/12/1037486012.db2.gz GSRVREDFHZNRAI-KRWDZBQOSA-N 1 1 309.413 3.836 20 30 DHEDMO C=CCCC(=O)OC[C@]1(F)CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000763264205 1037541138 /nfs/dbraw/zinc/54/11/38/1037541138.db2.gz FNXLOOWKCRCUMW-QAPCUYQASA-N 1 1 305.393 3.671 20 30 DHEDMO COCC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCC[C@H]1C ZINC000488061555 1037610089 /nfs/dbraw/zinc/61/00/89/1037610089.db2.gz KXQJYTJMZYHEHJ-DYVFJYSZSA-N 1 1 306.837 3.849 20 30 DHEDMO Cc1ccc2nc(C[NH2+][C@@H](C)c3ccc(OCC#N)cc3)[nH]c2c1 ZINC000776162318 1037629348 /nfs/dbraw/zinc/62/93/48/1037629348.db2.gz FGOWDIJRBKABLT-AWEZNQCLSA-N 1 1 320.396 3.625 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000490321353 1037672343 /nfs/dbraw/zinc/67/23/43/1037672343.db2.gz UVSKELSWULAQFI-AXVVYFOYSA-N 1 1 311.473 3.956 20 30 DHEDMO CC[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000490339437 1037682400 /nfs/dbraw/zinc/68/24/00/1037682400.db2.gz IZAGVNIZGMOVDR-INIZCTEOSA-N 1 1 322.456 3.971 20 30 DHEDMO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000490354345 1037692663 /nfs/dbraw/zinc/69/26/63/1037692663.db2.gz KURJBHTWXQZXSY-CVEARBPZSA-N 1 1 322.456 3.969 20 30 DHEDMO C=CCOCc1nn(C)c2c1C[N@@H+](C[C@H](CC)CCCC)CC2 ZINC001201558370 1037775583 /nfs/dbraw/zinc/77/55/83/1037775583.db2.gz BKJQNUYJPXXQRW-MRXNPFEDSA-N 1 1 319.493 3.697 20 30 DHEDMO CCCCCCCCCCC[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC001201630988 1037801038 /nfs/dbraw/zinc/80/10/38/1037801038.db2.gz KJKQFZAHCWCYAT-IBGZPJMESA-N 1 1 310.526 3.924 20 30 DHEDMO CC(C)C[C@@H]1CCCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763410394 1037829944 /nfs/dbraw/zinc/82/99/44/1037829944.db2.gz KTQGQBNYMDUSER-OALUTQOASA-N 1 1 300.446 3.882 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000185938241 1037854067 /nfs/dbraw/zinc/85/40/67/1037854067.db2.gz FOFDVXOTTRGJBE-MRXNPFEDSA-N 1 1 302.462 3.616 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(Oc2ccccc2)nn1)C1CCCC1 ZINC000490900017 1037855145 /nfs/dbraw/zinc/85/51/45/1037855145.db2.gz SODWGSSOYGCTMA-UHFFFAOYSA-N 1 1 307.397 3.647 20 30 DHEDMO C#CC[N@@H+](Cc1cnc([C@H]2CCCO2)s1)C1CCCCC1 ZINC000490898377 1037857083 /nfs/dbraw/zinc/85/70/83/1037857083.db2.gz KCRQRFQWSIGAMG-MRXNPFEDSA-N 1 1 304.459 3.763 20 30 DHEDMO CCCCCCC[N@@H+]1CCc2nc(C(=O)OCC)sc2CC1 ZINC001201762318 1037883205 /nfs/dbraw/zinc/88/32/05/1037883205.db2.gz FRSVUZIALNATLI-UHFFFAOYSA-N 1 1 324.490 3.691 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001201762867 1037886156 /nfs/dbraw/zinc/88/61/56/1037886156.db2.gz YBHJJLZSXRMSEV-UXHICEINSA-N 1 1 322.537 3.637 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@H](n2cc(Br)cn2)C1 ZINC001201805027 1037899037 /nfs/dbraw/zinc/89/90/37/1037899037.db2.gz ZXAYVJDJUYTLIH-CQSZACIVSA-N 1 1 314.271 3.863 20 30 DHEDMO CCCCCCCC[N@@H+]1Cc2ccnn2C[C@@H](COCC)C1 ZINC001201814736 1037899425 /nfs/dbraw/zinc/89/94/25/1037899425.db2.gz SGQZQVVFPLBNFA-KRWDZBQOSA-N 1 1 307.482 3.712 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@]2(C1)c1ccccc1N(C)C2=O ZINC001201825631 1037910891 /nfs/dbraw/zinc/91/08/91/1037910891.db2.gz BCVZSJQIAJUBKW-FQEVSTJZSA-N 1 1 314.473 3.967 20 30 DHEDMO CCCCCCCCC[N@@H+]1Cc2cn(C)nc2[C@H](COC)C1 ZINC001201839619 1037916921 /nfs/dbraw/zinc/91/69/21/1037916921.db2.gz OLBMAKTZSIVABZ-KRWDZBQOSA-N 1 1 307.482 3.716 20 30 DHEDMO CCCCCCCCC[N@H+]1CCCn2nnc(COCC)c2C1 ZINC001201846847 1037921755 /nfs/dbraw/zinc/92/17/55/1037921755.db2.gz NROVDTGIBNRDEI-UHFFFAOYSA-N 1 1 322.497 3.771 20 30 DHEDMO CCCCCCCCCC[N@@H+]1CCn2cc(C(=O)OC)nc2C1 ZINC001201875325 1037926728 /nfs/dbraw/zinc/92/67/28/1037926728.db2.gz VPDRSKWQDKDJJD-UHFFFAOYSA-N 1 1 321.465 3.626 20 30 DHEDMO CCCCCCCCCC[N@H+]1CCn2cc(C(=O)OC)nc2C1 ZINC001201875325 1037926739 /nfs/dbraw/zinc/92/67/39/1037926739.db2.gz VPDRSKWQDKDJJD-UHFFFAOYSA-N 1 1 321.465 3.626 20 30 DHEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000775179338 1037928434 /nfs/dbraw/zinc/92/84/34/1037928434.db2.gz NUIPQIWWQQDAHW-MRXNPFEDSA-N 1 1 309.409 3.728 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000064517684 1037933059 /nfs/dbraw/zinc/93/30/59/1037933059.db2.gz YZCINILDIUOHBN-IBGZPJMESA-N 1 1 314.473 3.865 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000775180170 1037937497 /nfs/dbraw/zinc/93/74/97/1037937497.db2.gz WBZJUPODMKKKII-LLVKDONJSA-N 1 1 318.760 3.962 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1cnn(CCC)c1)c1ccc(F)c(F)c1 ZINC000187374266 1037962122 /nfs/dbraw/zinc/96/21/22/1037962122.db2.gz SEFBEACSVVJEIN-KRWDZBQOSA-N 1 1 305.372 3.978 20 30 DHEDMO CN(Cc1ccc(C(C)(C)C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000586781190 1037967482 /nfs/dbraw/zinc/96/74/82/1037967482.db2.gz CZYGNMVZVSQMMW-DFNIBXOVSA-N 1 1 311.473 3.545 20 30 DHEDMO CN(Cc1ccc(C(C)(C)C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000586781190 1037967495 /nfs/dbraw/zinc/96/74/95/1037967495.db2.gz CZYGNMVZVSQMMW-DFNIBXOVSA-N 1 1 311.473 3.545 20 30 DHEDMO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(C(C)(C)C#N)cc1)C2 ZINC000586781190 1037967504 /nfs/dbraw/zinc/96/75/04/1037967504.db2.gz CZYGNMVZVSQMMW-DFNIBXOVSA-N 1 1 311.473 3.545 20 30 DHEDMO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1)C2 ZINC000586781190 1037967522 /nfs/dbraw/zinc/96/75/22/1037967522.db2.gz CZYGNMVZVSQMMW-DFNIBXOVSA-N 1 1 311.473 3.545 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCC(C)(C)C)[C@H]2CC ZINC001202073169 1038039540 /nfs/dbraw/zinc/03/95/40/1038039540.db2.gz JRNSHKDLOIELCW-LPHOPBHVSA-N 1 1 306.494 3.844 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)C(C2CC2)C2CC2)c(O)c(OC)c1 ZINC000164244806 1038108223 /nfs/dbraw/zinc/10/82/23/1038108223.db2.gz JSPHGGQPITZOGU-UHFFFAOYSA-N 1 1 301.430 3.750 20 30 DHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156522337 1038129566 /nfs/dbraw/zinc/12/95/66/1038129566.db2.gz QQZSGOUIQURFIV-PMACEKPBSA-N 1 1 308.425 3.545 20 30 DHEDMO C=CCc1cc(C[N@H+](CCC#N)CC(C)(C)C)c(O)c(OC)c1 ZINC000164299699 1038151625 /nfs/dbraw/zinc/15/16/25/1038151625.db2.gz ZLUJZRBLLPKWBJ-UHFFFAOYSA-N 1 1 316.445 3.891 20 30 DHEDMO C=CCc1cc(C[N@@H+](CCC#N)CC(C)(C)C)c(O)c(OC)c1 ZINC000164299699 1038151629 /nfs/dbraw/zinc/15/16/29/1038151629.db2.gz ZLUJZRBLLPKWBJ-UHFFFAOYSA-N 1 1 316.445 3.891 20 30 DHEDMO C[N@@H+]1CC[C@@H](NCC#Cc2cccc(Cl)c2)[C@@H]1c1ccccc1 ZINC000571690629 1038179824 /nfs/dbraw/zinc/17/98/24/1038179824.db2.gz JRBJLRQTVJBLAQ-UXHICEINSA-N 1 1 324.855 3.727 20 30 DHEDMO C[N@H+]1CC[C@@H](NCC#Cc2cccc(Cl)c2)[C@@H]1c1ccccc1 ZINC000571690629 1038179830 /nfs/dbraw/zinc/17/98/30/1038179830.db2.gz JRBJLRQTVJBLAQ-UXHICEINSA-N 1 1 324.855 3.727 20 30 DHEDMO Cc1cc([NH+]2CCCCCC2)ccc1Nc1ccc(C#N)nn1 ZINC000588068219 1038225099 /nfs/dbraw/zinc/22/50/99/1038225099.db2.gz PPAVSQGEDVMBQB-UHFFFAOYSA-N 1 1 307.401 3.781 20 30 DHEDMO N#CCCCCCC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000588157401 1038239496 /nfs/dbraw/zinc/23/94/96/1038239496.db2.gz NFABBOLUYKEWKF-GOSISDBHSA-N 1 1 319.493 3.621 20 30 DHEDMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC000571780027 1038251744 /nfs/dbraw/zinc/25/17/44/1038251744.db2.gz FNZSPUYJAUYUFF-UMVBOHGHSA-N 1 1 321.827 3.682 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(-c2ccc(F)cc2C)o1)[C@H]1CCCO1 ZINC000775342375 1038252281 /nfs/dbraw/zinc/25/22/81/1038252281.db2.gz QSBNZMGJHUPQKN-PKOBYXMFSA-N 1 1 313.372 3.665 20 30 DHEDMO C=C(C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC001190239178 1038281840 /nfs/dbraw/zinc/28/18/40/1038281840.db2.gz PAFJOIXSTLGJKN-LPHOPBHVSA-N 1 1 314.473 3.654 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CCCCCC#N)cc1 ZINC000588636384 1038315645 /nfs/dbraw/zinc/31/56/45/1038315645.db2.gz UMCVGMBUFBGOPR-OAHLLOKOSA-N 1 1 324.428 3.832 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000572038976 1038321213 /nfs/dbraw/zinc/32/12/13/1038321213.db2.gz DZEOTSLBHMPBJM-APWZRJJASA-N 1 1 305.437 3.797 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC2CCC1CC2 ZINC001190801623 1038386771 /nfs/dbraw/zinc/38/67/71/1038386771.db2.gz KNIXDIRIUIMWJC-GQOXECLESA-N 1 1 312.457 3.833 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC2CCC1CC2 ZINC001190801624 1038386834 /nfs/dbraw/zinc/38/68/34/1038386834.db2.gz KNIXDIRIUIMWJC-RRWXTXHCSA-N 1 1 312.457 3.833 20 30 DHEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000588977688 1038415370 /nfs/dbraw/zinc/41/53/70/1038415370.db2.gz GINBZKGXMMQDCE-ZDUSSCGKSA-N 1 1 319.246 3.943 20 30 DHEDMO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000588977688 1038415378 /nfs/dbraw/zinc/41/53/78/1038415378.db2.gz GINBZKGXMMQDCE-ZDUSSCGKSA-N 1 1 319.246 3.943 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000589251230 1038453045 /nfs/dbraw/zinc/45/30/45/1038453045.db2.gz JAFALVLWUOASAQ-UHFFFAOYSA-N 1 1 310.441 3.696 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000589251230 1038453046 /nfs/dbraw/zinc/45/30/46/1038453046.db2.gz JAFALVLWUOASAQ-UHFFFAOYSA-N 1 1 310.441 3.696 20 30 DHEDMO CCC#C[C@H](C)[N@@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001191290120 1038481606 /nfs/dbraw/zinc/48/16/06/1038481606.db2.gz ZSVJXFZEMDMAAW-HOTGVXAUSA-N 1 1 310.482 3.660 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2cnc(C)nc2)cc1 ZINC001168390945 1038481739 /nfs/dbraw/zinc/48/17/39/1038481739.db2.gz IJPVWROAIFUUOJ-LJQANCHMSA-N 1 1 308.429 3.720 20 30 DHEDMO C#CCCCCCC[N@@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001191289252 1038481766 /nfs/dbraw/zinc/48/17/66/1038481766.db2.gz KRGZEVRKEVUBNL-INIZCTEOSA-N 1 1 308.466 3.511 20 30 DHEDMO CC(C)C[N@@H+](CCc1ccc(F)cc1)Cc1nc(C#N)cs1 ZINC000589495712 1038486948 /nfs/dbraw/zinc/48/69/48/1038486948.db2.gz COZQZIXHTIMWLD-UHFFFAOYSA-N 1 1 317.433 3.855 20 30 DHEDMO C[C@@H](Cc1cccs1)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001191464933 1038511313 /nfs/dbraw/zinc/51/13/13/1038511313.db2.gz UFJHJCRDLBFJBI-LBPRGKRZSA-N 1 1 315.398 3.591 20 30 DHEDMO C[C@@H](Cc1cccs1)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001191464933 1038511316 /nfs/dbraw/zinc/51/13/16/1038511316.db2.gz UFJHJCRDLBFJBI-LBPRGKRZSA-N 1 1 315.398 3.591 20 30 DHEDMO Cc1ccc2ncc(C#N)c(N3CCC[N@H+](C(C)(C)C)CC3)c2c1 ZINC000589860760 1038552201 /nfs/dbraw/zinc/55/22/01/1038552201.db2.gz YJZXLBJBIVUFQS-UHFFFAOYSA-N 1 1 322.456 3.726 20 30 DHEDMO C=CCCCC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001192471897 1038656578 /nfs/dbraw/zinc/65/65/78/1038656578.db2.gz RSHSOGRSIGWPIP-GVDBMIGSSA-N 1 1 322.493 3.968 20 30 DHEDMO C=CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000760820585 1038791313 /nfs/dbraw/zinc/79/13/13/1038791313.db2.gz XGQIKRBWWSQIAS-UHFFFAOYSA-N 1 1 301.346 3.646 20 30 DHEDMO C=CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000760820585 1038791329 /nfs/dbraw/zinc/79/13/29/1038791329.db2.gz XGQIKRBWWSQIAS-UHFFFAOYSA-N 1 1 301.346 3.646 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(NCCC#N)cc1)C[C@H]1CCCCO1 ZINC000591774289 1038993210 /nfs/dbraw/zinc/99/32/10/1038993210.db2.gz IHJGHZBYJJEFNP-LJQANCHMSA-N 1 1 315.461 3.792 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000573582559 1038998045 /nfs/dbraw/zinc/99/80/45/1038998045.db2.gz BKBMTXBUBXVGRL-KRWDZBQOSA-N 1 1 302.381 3.602 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000573582561 1038998218 /nfs/dbraw/zinc/99/82/18/1038998218.db2.gz BKBMTXBUBXVGRL-QGZVFWFLSA-N 1 1 302.381 3.602 20 30 DHEDMO Cc1ccc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)cc1C#N ZINC000599307106 1039113520 /nfs/dbraw/zinc/11/35/20/1039113520.db2.gz LWQCJDPRISWZPV-NRFANRHFSA-N 1 1 320.436 3.739 20 30 DHEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1ccncc1C#N ZINC000592070088 1039115693 /nfs/dbraw/zinc/11/56/93/1039115693.db2.gz FLAHVRGBXLNETP-LJQANCHMSA-N 1 1 311.404 3.791 20 30 DHEDMO Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3ccncc3C#N)C2)cc1 ZINC000592066126 1039117238 /nfs/dbraw/zinc/11/72/38/1039117238.db2.gz JMZWIWXAAGBPOX-SFHVURJKSA-N 1 1 305.425 3.716 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000592087377 1039119860 /nfs/dbraw/zinc/11/98/60/1039119860.db2.gz VBIQGCSEDRBQPY-FQEVSTJZSA-N 1 1 305.425 3.941 20 30 DHEDMO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccncc1C#N ZINC000592096676 1039120363 /nfs/dbraw/zinc/12/03/63/1039120363.db2.gz AWNGCFDAURDQJE-SFHVURJKSA-N 1 1 309.413 3.839 20 30 DHEDMO Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1C#N ZINC000599440738 1039155406 /nfs/dbraw/zinc/15/54/06/1039155406.db2.gz ZTRDWVGPKNAQTF-LJQANCHMSA-N 1 1 310.441 3.648 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000592168617 1039161669 /nfs/dbraw/zinc/16/16/69/1039161669.db2.gz SWIGOUTVJXYKOQ-LEWJYISDSA-N 1 1 320.436 3.516 20 30 DHEDMO C[C@H]1C[NH+](Cc2cn3ccccc3c2C#N)C[C@H](C)C1(F)F ZINC000599512609 1039183263 /nfs/dbraw/zinc/18/32/63/1039183263.db2.gz LHGGWWYRKNVSQR-STQMWFEESA-N 1 1 303.356 3.534 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1nc2c(cc1C#N)CCC2 ZINC000603859811 1039191739 /nfs/dbraw/zinc/19/17/39/1039191739.db2.gz WLYJGKJMMAFAFF-OAHLLOKOSA-N 1 1 312.461 3.508 20 30 DHEDMO COC(=O)[C@]1([NH2+]CCCCC(C)(C)C#N)CCCC(C)(C)C1 ZINC000599558072 1039211290 /nfs/dbraw/zinc/21/12/90/1039211290.db2.gz JIIGUJKJOIRYCB-SFHVURJKSA-N 1 1 308.466 3.808 20 30 DHEDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000599673017 1039252672 /nfs/dbraw/zinc/25/26/72/1039252672.db2.gz IKPSYFSRXLXBAX-UHFFFAOYSA-N 1 1 314.351 3.560 20 30 DHEDMO C/C=C\C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000599690993 1039260131 /nfs/dbraw/zinc/26/01/31/1039260131.db2.gz PZCOJWSLLJFAOD-PYLYLYNFSA-N 1 1 317.458 3.627 20 30 DHEDMO C/C=C/C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000599688055 1039268267 /nfs/dbraw/zinc/26/82/67/1039268267.db2.gz BRRSERMTLFRETC-WOMSROEHSA-N 1 1 311.429 3.565 20 30 DHEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000592780607 1039278268 /nfs/dbraw/zinc/27/82/68/1039278268.db2.gz LBRMYMRCRZMYSF-DOTOQJQBSA-N 1 1 324.428 3.558 20 30 DHEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000592780609 1039279453 /nfs/dbraw/zinc/27/94/53/1039279453.db2.gz LBRMYMRCRZMYSF-NVXWUHKLSA-N 1 1 324.428 3.558 20 30 DHEDMO CC(C)Oc1ccnc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000593034745 1039362085 /nfs/dbraw/zinc/36/20/85/1039362085.db2.gz IBGVVYWOXPZSEC-OAHLLOKOSA-N 1 1 309.413 3.933 20 30 DHEDMO CC(C)Oc1ccnc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000593034745 1039362098 /nfs/dbraw/zinc/36/20/98/1039362098.db2.gz IBGVVYWOXPZSEC-OAHLLOKOSA-N 1 1 309.413 3.933 20 30 DHEDMO C[C@H]1C[N@H+](C[C@@H](C#N)CCC#N)CCc2ccc(Cl)cc21 ZINC000593068075 1039362379 /nfs/dbraw/zinc/36/23/79/1039362379.db2.gz XYUVLRFEIRITSO-UONOGXRCSA-N 1 1 301.821 3.745 20 30 DHEDMO C[C@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CCc2ccc(Cl)cc21 ZINC000593068075 1039362385 /nfs/dbraw/zinc/36/23/85/1039362385.db2.gz XYUVLRFEIRITSO-UONOGXRCSA-N 1 1 301.821 3.745 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c(Cl)c1 ZINC000574196975 1039416038 /nfs/dbraw/zinc/41/60/38/1039416038.db2.gz NQQZROKQPOHCIF-WBVHZDCISA-N 1 1 304.821 3.603 20 30 DHEDMO C[C@@H]([NH2+][C@H](CCO)c1ccccc1F)c1ccc(C#N)cc1F ZINC000592401875 1039464152 /nfs/dbraw/zinc/46/41/52/1039464152.db2.gz DMKKTENBTWZKRI-KZULUSFZSA-N 1 1 316.351 3.611 20 30 DHEDMO Cc1cccn2cc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)nc12 ZINC000604501273 1039488996 /nfs/dbraw/zinc/48/89/96/1039488996.db2.gz WVJGFMUIDDQHPV-UHFFFAOYSA-N 1 1 316.408 3.679 20 30 DHEDMO Cc1cccn2cc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)nc12 ZINC000604501273 1039489002 /nfs/dbraw/zinc/48/90/02/1039489002.db2.gz WVJGFMUIDDQHPV-UHFFFAOYSA-N 1 1 316.408 3.679 20 30 DHEDMO CC[C@@H](C#N)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000593408656 1039525277 /nfs/dbraw/zinc/52/52/77/1039525277.db2.gz HNGDCRQRSIGTRE-HNNXBMFYSA-N 1 1 310.401 3.543 20 30 DHEDMO CCC[N@@H+](Cc1ccnn1CC(C)C)Cc1ccc(C#N)cc1 ZINC000592498184 1039534449 /nfs/dbraw/zinc/53/44/49/1039534449.db2.gz MTITYAFXNZWFNY-UHFFFAOYSA-N 1 1 310.445 3.823 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000061758186 1039543788 /nfs/dbraw/zinc/54/37/88/1039543788.db2.gz GMFUXUAQSKKGPF-UHFFFAOYSA-N 1 1 304.459 3.635 20 30 DHEDMO C=CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000061761255 1039545351 /nfs/dbraw/zinc/54/53/51/1039545351.db2.gz KBOGWYQBHJOCHJ-FQEVSTJZSA-N 1 1 309.409 3.837 20 30 DHEDMO N#CC1(C[NH2+]Cc2ccccc2OCC(F)(F)F)CCCC1 ZINC000593652624 1039581715 /nfs/dbraw/zinc/58/17/15/1039581715.db2.gz FAKYLYAGYRUIJP-UHFFFAOYSA-N 1 1 312.335 3.801 20 30 DHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(C)C ZINC000605026267 1039608658 /nfs/dbraw/zinc/60/86/58/1039608658.db2.gz KTLWZKAWKPAAFO-RBUKOAKNSA-N 1 1 317.473 3.665 20 30 DHEDMO C=CCCC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000605150040 1039637724 /nfs/dbraw/zinc/63/77/24/1039637724.db2.gz HHWJVMBBAMXKMT-OAHLLOKOSA-N 1 1 310.235 3.789 20 30 DHEDMO C[C@@H](CCNCc1ccc(C(C)(C)C#N)cc1)[NH+]1CCCCC1 ZINC000594501412 1039803745 /nfs/dbraw/zinc/80/37/45/1039803745.db2.gz VNPJSUQFWDQLKG-KRWDZBQOSA-N 1 1 313.489 3.842 20 30 DHEDMO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593959193 1039809641 /nfs/dbraw/zinc/80/96/41/1039809641.db2.gz RQWZASOTPYIEOV-GOSISDBHSA-N 1 1 307.397 3.689 20 30 DHEDMO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000593959193 1039809664 /nfs/dbraw/zinc/80/96/64/1039809664.db2.gz RQWZASOTPYIEOV-GOSISDBHSA-N 1 1 307.397 3.689 20 30 DHEDMO CC(C)Cn1ccnc1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594515236 1039818883 /nfs/dbraw/zinc/81/88/83/1039818883.db2.gz SWPJEZHKMKJWTM-UHFFFAOYSA-N 1 1 310.445 3.630 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000594610839 1039875464 /nfs/dbraw/zinc/87/54/64/1039875464.db2.gz VLJFVOLTWGCKMK-AZUAARDMSA-N 1 1 310.441 3.631 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000606435156 1039876194 /nfs/dbraw/zinc/87/61/94/1039876194.db2.gz LFZMYLHQBVSXNK-ZWKOTPCHSA-N 1 1 314.473 3.597 20 30 DHEDMO C=CC[N@H+](CCOCc1ccc(OC)cc1)Cc1cccs1 ZINC000594713570 1039894293 /nfs/dbraw/zinc/89/42/93/1039894293.db2.gz SNLZZJQALGRNPR-UHFFFAOYSA-N 1 1 317.454 3.962 20 30 DHEDMO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)[nH]1 ZINC000594937467 1039953672 /nfs/dbraw/zinc/95/36/72/1039953672.db2.gz IZWGFLLVHNZOPB-ZIAGYGMSSA-N 1 1 323.444 3.724 20 30 DHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000172607477 1039960160 /nfs/dbraw/zinc/96/01/60/1039960160.db2.gz RJLIRYUKTWAVQP-KBXCAEBGSA-N 1 1 323.444 3.593 20 30 DHEDMO COc1cccc(OC)c1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594968051 1039970506 /nfs/dbraw/zinc/97/05/06/1039970506.db2.gz MOFOOCZYUSLUOZ-UHFFFAOYSA-N 1 1 324.424 3.795 20 30 DHEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)CCCCC1 ZINC000594981458 1039993405 /nfs/dbraw/zinc/99/34/05/1039993405.db2.gz QOVPEGUMNZXHJN-UHFFFAOYSA-N 1 1 312.392 3.779 20 30 DHEDMO N#CC1(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)CCCCC1 ZINC000594981931 1039999273 /nfs/dbraw/zinc/99/92/73/1039999273.db2.gz VQJLLERJBLBVJP-UHFFFAOYSA-N 1 1 312.335 3.991 20 30 DHEDMO COc1cc(C[NH2+]CC2(C#N)CCCCC2)cc(Cl)c1OC ZINC000594993689 1040012072 /nfs/dbraw/zinc/01/20/72/1040012072.db2.gz FOORKJMAPZSGEF-UHFFFAOYSA-N 1 1 322.836 3.921 20 30 DHEDMO COc1cc2c(cc1C[NH2+]CC1(C#N)CCCCC1)O[C@H](C)C2 ZINC000594993249 1040012396 /nfs/dbraw/zinc/01/23/96/1040012396.db2.gz CHHCXWBLRJKTOD-CQSZACIVSA-N 1 1 314.429 3.582 20 30 DHEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000594052426 1040020524 /nfs/dbraw/zinc/02/05/24/1040020524.db2.gz HJJSTEDEYHXCQM-OAHLLOKOSA-N 1 1 317.458 3.603 20 30 DHEDMO C=CCCSCC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000595060185 1040025740 /nfs/dbraw/zinc/02/57/40/1040025740.db2.gz UDGVHCCCJRAYSB-PKOBYXMFSA-N 1 1 318.530 3.796 20 30 DHEDMO C=CCCCCCN(C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000606919887 1040037270 /nfs/dbraw/zinc/03/72/70/1040037270.db2.gz QVRNLXRSPOKTPC-HDICACEKSA-N 1 1 323.525 3.742 20 30 DHEDMO C#CCCCNc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000172780195 1040048746 /nfs/dbraw/zinc/04/87/46/1040048746.db2.gz ZBNDTFPXPLZLQT-UHFFFAOYSA-N 1 1 308.385 3.515 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc2ccccc2n1 ZINC000595289999 1040091319 /nfs/dbraw/zinc/09/13/19/1040091319.db2.gz INPXTFHMIACZQD-UHFFFAOYSA-N 1 1 316.408 3.914 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2cnc3ccccc3n2)C2CC2)cc1 ZINC000595297068 1040094965 /nfs/dbraw/zinc/09/49/65/1040094965.db2.gz PHWNYADPWAHFMH-UHFFFAOYSA-N 1 1 314.392 3.666 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cnc3ccccc3n2)C2CC2)cc1 ZINC000595297068 1040094984 /nfs/dbraw/zinc/09/49/84/1040094984.db2.gz PHWNYADPWAHFMH-UHFFFAOYSA-N 1 1 314.392 3.666 20 30 DHEDMO C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000595327742 1040100775 /nfs/dbraw/zinc/10/07/75/1040100775.db2.gz QWNBVBVVLJJHGL-YWZLYKJASA-N 1 1 324.399 3.702 20 30 DHEDMO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000595343649 1040102814 /nfs/dbraw/zinc/10/28/14/1040102814.db2.gz HKBFQOCBYWLDKU-RDTXWAMCSA-N 1 1 312.438 3.624 20 30 DHEDMO CC(C)[N@@H+](C)CC1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000595307850 1040105557 /nfs/dbraw/zinc/10/55/57/1040105557.db2.gz MSBSNKZFPKBMCC-GOSISDBHSA-N 1 1 319.880 3.957 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000595395254 1040124862 /nfs/dbraw/zinc/12/48/62/1040124862.db2.gz LLPBIWCINVMRER-UHFFFAOYSA-N 1 1 301.393 3.640 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CCc3c4ccccc4[nH]c3C2)cc1 ZINC000595395254 1040124869 /nfs/dbraw/zinc/12/48/69/1040124869.db2.gz LLPBIWCINVMRER-UHFFFAOYSA-N 1 1 301.393 3.640 20 30 DHEDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075747729 1040146056 /nfs/dbraw/zinc/14/60/56/1040146056.db2.gz KTQTZZCSTFCSSP-INIZCTEOSA-N 1 1 310.401 3.619 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000595619382 1040192779 /nfs/dbraw/zinc/19/27/79/1040192779.db2.gz ADCMENFPFRJLHN-AWEZNQCLSA-N 1 1 312.335 3.753 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000593084268 1040194757 /nfs/dbraw/zinc/19/47/57/1040194757.db2.gz QQLQRBPSDLZNFQ-SFHVURJKSA-N 1 1 309.388 3.690 20 30 DHEDMO N#Cc1cnccc1C[N@@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000593084268 1040194762 /nfs/dbraw/zinc/19/47/62/1040194762.db2.gz QQLQRBPSDLZNFQ-SFHVURJKSA-N 1 1 309.388 3.690 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000595610153 1040206590 /nfs/dbraw/zinc/20/65/90/1040206590.db2.gz RVGZIGIDWGRBNV-LBPRGKRZSA-N 1 1 313.228 3.998 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](CCOc2cc(Cl)ccc2Cl)C1 ZINC000595610153 1040206601 /nfs/dbraw/zinc/20/66/01/1040206601.db2.gz RVGZIGIDWGRBNV-LBPRGKRZSA-N 1 1 313.228 3.998 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)(C)C ZINC000595765185 1040235429 /nfs/dbraw/zinc/23/54/29/1040235429.db2.gz IAQGJQWKKYYECC-UHFFFAOYSA-N 1 1 319.405 3.518 20 30 DHEDMO CC#CC[N@@H+]1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000607728851 1040238692 /nfs/dbraw/zinc/23/86/92/1040238692.db2.gz INGFFAFCDPSCQG-KRWDZBQOSA-N 1 1 301.430 3.514 20 30 DHEDMO N#Cc1c(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cn2ccccc12 ZINC000595788346 1040251278 /nfs/dbraw/zinc/25/12/78/1040251278.db2.gz JKAPEWKSNJPZQK-UZLBHIALSA-N 1 1 323.440 3.592 20 30 DHEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000595839689 1040260125 /nfs/dbraw/zinc/26/01/25/1040260125.db2.gz IEELJFAUYWTURJ-HXUWFJFHSA-N 1 1 301.393 3.961 20 30 DHEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000595839689 1040260134 /nfs/dbraw/zinc/26/01/34/1040260134.db2.gz IEELJFAUYWTURJ-HXUWFJFHSA-N 1 1 301.393 3.961 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000595844139 1040263857 /nfs/dbraw/zinc/26/38/57/1040263857.db2.gz ALYBAQVHMUIWDO-YTQUADARSA-N 1 1 323.440 3.505 20 30 DHEDMO C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@H](CC(F)(F)F)O1 ZINC000595892154 1040271467 /nfs/dbraw/zinc/27/14/67/1040271467.db2.gz KESKJGWVAMROQK-KBPBESRZSA-N 1 1 318.383 3.892 20 30 DHEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@H](CC(F)(F)F)O1 ZINC000595892154 1040271481 /nfs/dbraw/zinc/27/14/81/1040271481.db2.gz KESKJGWVAMROQK-KBPBESRZSA-N 1 1 318.383 3.892 20 30 DHEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595868109 1040276561 /nfs/dbraw/zinc/27/65/61/1040276561.db2.gz STSGLHNNURQQQH-XJKSGUPXSA-N 1 1 310.401 3.761 20 30 DHEDMO Cc1ccc(C#N)nc1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000596153992 1040319556 /nfs/dbraw/zinc/31/95/56/1040319556.db2.gz ZHYOZIMMWPHDKY-WMZOPIPTSA-N 1 1 320.440 3.727 20 30 DHEDMO CCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000063482229 1040322865 /nfs/dbraw/zinc/32/28/65/1040322865.db2.gz COWTYCSRQXOSQQ-UHFFFAOYSA-N 1 1 321.424 3.799 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1F ZINC000173553538 1040333127 /nfs/dbraw/zinc/33/31/27/1040333127.db2.gz DLQLPPLVZPIAQK-QGZVFWFLSA-N 1 1 310.388 3.650 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1F ZINC000173553538 1040333140 /nfs/dbraw/zinc/33/31/40/1040333140.db2.gz DLQLPPLVZPIAQK-QGZVFWFLSA-N 1 1 310.388 3.650 20 30 DHEDMO N#Cc1c(Cl)cccc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570370 1040491880 /nfs/dbraw/zinc/49/18/80/1040491880.db2.gz IUPNKYCZFPSTJA-CQSZACIVSA-N 1 1 303.837 3.746 20 30 DHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N(CCC#N)C(C)C)cc1 ZINC000608814764 1040617285 /nfs/dbraw/zinc/61/72/85/1040617285.db2.gz RXLRLPYYFKZBBK-UHFFFAOYSA-N 1 1 315.461 3.683 20 30 DHEDMO COc1ccccc1CC[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597002327 1040620512 /nfs/dbraw/zinc/62/05/12/1040620512.db2.gz AYAXKRKYZAKNAN-UHFFFAOYSA-N 1 1 320.436 3.925 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCc4ccc(F)cc4C3)cc2)CC1 ZINC000597010723 1040623422 /nfs/dbraw/zinc/62/34/22/1040623422.db2.gz PEQCVESBCYWURE-UHFFFAOYSA-N 1 1 306.384 3.939 20 30 DHEDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596989567 1040624197 /nfs/dbraw/zinc/62/41/97/1040624197.db2.gz SRUBEXMRLUKUHS-KRWDZBQOSA-N 1 1 320.436 3.625 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCc4ccc(O)cc4CC3)cc2)CC1 ZINC000596995793 1040627762 /nfs/dbraw/zinc/62/77/62/1040627762.db2.gz ORMCFDRIYABRNY-UHFFFAOYSA-N 1 1 318.420 3.548 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@H]3CN3CCCCC3)cc2)CC1 ZINC000596991499 1040627994 /nfs/dbraw/zinc/62/79/94/1040627994.db2.gz LANXATHNNZOYLD-FQEVSTJZSA-N 1 1 323.484 3.692 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H]3CN3CCCCC3)cc2)CC1 ZINC000596991499 1040627999 /nfs/dbraw/zinc/62/79/99/1040627999.db2.gz LANXATHNNZOYLD-FQEVSTJZSA-N 1 1 323.484 3.692 20 30 DHEDMO CN(C)c1cccc(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000597027946 1040630865 /nfs/dbraw/zinc/63/08/65/1040630865.db2.gz ZBEQWTWUHSJMLU-UHFFFAOYSA-N 1 1 319.452 3.940 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000597112712 1040652799 /nfs/dbraw/zinc/65/27/99/1040652799.db2.gz IEMSSFZWGNRCBM-VQIMIIECSA-N 1 1 312.457 3.879 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1OCCCC#N ZINC000597159114 1040669240 /nfs/dbraw/zinc/66/92/40/1040669240.db2.gz HOCSXKQKVLAWOS-IRXDYDNUSA-N 1 1 314.429 3.752 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(SC)cc1OC ZINC000597173599 1040675087 /nfs/dbraw/zinc/67/50/87/1040675087.db2.gz KUEOCBHEFLSILV-CYBMUJFWSA-N 1 1 320.458 3.551 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000597173880 1040675828 /nfs/dbraw/zinc/67/58/28/1040675828.db2.gz MNIBVFIJRSOZLH-HNNXBMFYSA-N 1 1 301.409 3.552 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000597173880 1040675832 /nfs/dbraw/zinc/67/58/32/1040675832.db2.gz MNIBVFIJRSOZLH-HNNXBMFYSA-N 1 1 301.409 3.552 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597175462 1040676209 /nfs/dbraw/zinc/67/62/09/1040676209.db2.gz ZPUVBDOOEHODSG-KRWDZBQOSA-N 1 1 308.429 3.615 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456353100 1040787992 /nfs/dbraw/zinc/78/79/92/1040787992.db2.gz ZBDIBIWAFDJXBE-PXNSSMCTSA-N 1 1 314.473 3.569 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(F)c1C#N ZINC000602016840 1040849700 /nfs/dbraw/zinc/84/97/00/1040849700.db2.gz AXONCPYBVSPMRJ-IBGZPJMESA-N 1 1 305.356 3.736 20 30 DHEDMO C=C[C@@H](CC(=O)N1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000457012673 1040987559 /nfs/dbraw/zinc/98/75/59/1040987559.db2.gz GZGAIJDNWIMHCS-PXNSSMCTSA-N 1 1 320.436 3.519 20 30 DHEDMO C=CCSc1ccccc1C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457077984 1041017567 /nfs/dbraw/zinc/01/75/67/1041017567.db2.gz ACKVPHGHXCNRLD-HNNXBMFYSA-N 1 1 318.486 3.519 20 30 DHEDMO CCC[N@@H+](C[C@H](C)CCC#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000602454428 1041029647 /nfs/dbraw/zinc/02/96/47/1041029647.db2.gz SRKOMLWSFBAWOY-HZPDHXFCSA-N 1 1 301.434 3.665 20 30 DHEDMO Cc1ccc(C)c(OC2CC[NH+](Cc3cccc(C#N)n3)CC2)c1 ZINC000602449781 1041029911 /nfs/dbraw/zinc/02/99/11/1041029911.db2.gz SCBCZLPUWMFQET-UHFFFAOYSA-N 1 1 321.424 3.614 20 30 DHEDMO COc1cncc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1C ZINC000602441091 1041032527 /nfs/dbraw/zinc/03/25/27/1041032527.db2.gz TUVHIFXCZSESCX-UHFFFAOYSA-N 1 1 309.413 3.681 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCc2c(Br)cccc2C1 ZINC000602455777 1041043400 /nfs/dbraw/zinc/04/34/00/1041043400.db2.gz YEYIIVZUYRXBSQ-LBPRGKRZSA-N 1 1 307.235 3.747 20 30 DHEDMO COc1cc(C[N@@H+](C)C[C@H](C)CCC#N)c(SC)cc1OC ZINC000602473439 1041050283 /nfs/dbraw/zinc/05/02/83/1041050283.db2.gz RODQQRCJCRSKJL-CYBMUJFWSA-N 1 1 322.474 3.797 20 30 DHEDMO CC[N@H+](C[C@H](C)CCC#N)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602479957 1041054646 /nfs/dbraw/zinc/05/46/46/1041054646.db2.gz CNWUGSXJWYOAQT-QUCCMNQESA-N 1 1 313.489 3.770 20 30 DHEDMO CC[N@@H+](C[C@H](C)CCC#N)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602479957 1041054657 /nfs/dbraw/zinc/05/46/57/1041054657.db2.gz CNWUGSXJWYOAQT-QUCCMNQESA-N 1 1 313.489 3.770 20 30 DHEDMO N#CC1CCC([NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000602523906 1041071945 /nfs/dbraw/zinc/07/19/45/1041071945.db2.gz IBOSGRMFWUYNPI-SKINQDTJSA-N 1 1 311.473 3.571 20 30 DHEDMO N#CC1CCC([NH2+]C[C@H]2CCCN2CC2CCCCC2)CC1 ZINC000602535095 1041092375 /nfs/dbraw/zinc/09/23/75/1041092375.db2.gz MVBVXYXLKJXKSK-NKELODKYSA-N 1 1 303.494 3.703 20 30 DHEDMO CCOc1ccc(C2=CC[N@H+](Cc3cccc(C#N)n3)CC2)cc1 ZINC000602597110 1041108572 /nfs/dbraw/zinc/10/85/72/1041108572.db2.gz UVFULLDKVFDYMN-UHFFFAOYSA-N 1 1 319.408 3.641 20 30 DHEDMO CCOc1ccc(C2=CC[N@@H+](Cc3cccc(C#N)n3)CC2)cc1 ZINC000602597110 1041108580 /nfs/dbraw/zinc/10/85/80/1041108580.db2.gz UVFULLDKVFDYMN-UHFFFAOYSA-N 1 1 319.408 3.641 20 30 DHEDMO CCOC(=O)C[N@@H+](C[C@@H](C)CCC#N)[C@@H](C)c1ccccc1 ZINC000602584502 1041113563 /nfs/dbraw/zinc/11/35/63/1041113563.db2.gz CXORBHSCFANLLT-HOTGVXAUSA-N 1 1 302.418 3.553 20 30 DHEDMO C[C@@H](C#N)CNC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000602607260 1041123606 /nfs/dbraw/zinc/12/36/06/1041123606.db2.gz IBLNLQNFNCAYHN-FXAWDEMLSA-N 1 1 313.489 3.674 20 30 DHEDMO CCC[N@@H+](C[C@H](C)CCC#N)[C@H](C)C(=O)Nc1ccccc1C ZINC000602640262 1041127757 /nfs/dbraw/zinc/12/77/57/1041127757.db2.gz LJIUFOLQXVEVBM-NVXWUHKLSA-N 1 1 315.461 3.974 20 30 DHEDMO COC(=O)c1csc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000602691951 1041153950 /nfs/dbraw/zinc/15/39/50/1041153950.db2.gz JDPGJMSOTMMNIR-GFCCVEGCSA-N 1 1 314.410 3.599 20 30 DHEDMO COC(=O)c1csc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000602691951 1041153956 /nfs/dbraw/zinc/15/39/56/1041153956.db2.gz JDPGJMSOTMMNIR-GFCCVEGCSA-N 1 1 314.410 3.599 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccnn1CC1CCC1 ZINC000602693446 1041155247 /nfs/dbraw/zinc/15/52/47/1041155247.db2.gz RDEYDOXTIRTZLU-OAHLLOKOSA-N 1 1 308.429 3.748 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnn1CC1CCC1 ZINC000602693446 1041155255 /nfs/dbraw/zinc/15/52/55/1041155255.db2.gz RDEYDOXTIRTZLU-OAHLLOKOSA-N 1 1 308.429 3.748 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nc2ccccc2o1 ZINC000602695340 1041157279 /nfs/dbraw/zinc/15/72/79/1041157279.db2.gz NANDYIQQVFLVPI-INIZCTEOSA-N 1 1 303.365 3.867 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)n1 ZINC000602720208 1041175950 /nfs/dbraw/zinc/17/59/50/1041175950.db2.gz DRXGLTXIGGTLFE-CQSZACIVSA-N 1 1 313.351 3.611 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1ccc(Br)cc1F ZINC000602727586 1041182708 /nfs/dbraw/zinc/18/27/08/1041182708.db2.gz DHUKVVFIWNTMDL-NSHDSACASA-N 1 1 313.214 3.960 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000602810712 1041235246 /nfs/dbraw/zinc/23/52/46/1041235246.db2.gz HNCNYLKCDDIQNF-MRXNPFEDSA-N 1 1 310.445 3.688 20 30 DHEDMO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000602812025 1041240636 /nfs/dbraw/zinc/24/06/36/1041240636.db2.gz SBDVHLYWHXUWJE-SECBINFHSA-N 1 1 303.353 3.896 20 30 DHEDMO CCn1nc(C)c(C[N@@H+](C)CCC2(C#N)CCCCC2)c1C ZINC000602926889 1041309119 /nfs/dbraw/zinc/30/91/19/1041309119.db2.gz STUBQTHDSGHCSL-UHFFFAOYSA-N 1 1 302.466 3.816 20 30 DHEDMO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2OC(F)F)s1 ZINC000602955289 1041327435 /nfs/dbraw/zinc/32/74/35/1041327435.db2.gz IWPYEDBTVCADGM-SECBINFHSA-N 1 1 323.368 3.775 20 30 DHEDMO CCOc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598584036 1041333826 /nfs/dbraw/zinc/33/38/26/1041333826.db2.gz HVYVGSUUYKQSCX-FUHWJXTLSA-N 1 1 316.445 3.523 20 30 DHEDMO CCOc1ccc([C@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598584037 1041335805 /nfs/dbraw/zinc/33/58/05/1041335805.db2.gz HVYVGSUUYKQSCX-SJLPKXTDSA-N 1 1 316.445 3.523 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000598602979 1041344744 /nfs/dbraw/zinc/34/47/44/1041344744.db2.gz XTVLQGYGNNEXHO-MAUKXSAKSA-N 1 1 318.436 3.696 20 30 DHEDMO CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H]1CCc2ccccc2C1 ZINC000598587944 1041348196 /nfs/dbraw/zinc/34/81/96/1041348196.db2.gz XMMQSHDQAPRQLC-MOPGFXCFSA-N 1 1 314.473 3.557 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000598590519 1041350526 /nfs/dbraw/zinc/35/05/26/1041350526.db2.gz NMAHIUXYELISDH-LJQANCHMSA-N 1 1 314.473 3.774 20 30 DHEDMO C[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@H]1c1cccc(F)c1 ZINC000598594251 1041354027 /nfs/dbraw/zinc/35/40/27/1041354027.db2.gz FEIVEFUREMIXAK-XOKHGSTOSA-N 1 1 304.409 3.509 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000598593866 1041354969 /nfs/dbraw/zinc/35/49/69/1041354969.db2.gz XUCHLETZQYHRQY-MOPGFXCFSA-N 1 1 314.473 3.774 20 30 DHEDMO CC[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC[C@H]1c1ccccc1 ZINC000598597446 1041356453 /nfs/dbraw/zinc/35/64/53/1041356453.db2.gz XPWFJDASXIOLTI-NZSAHSFTSA-N 1 1 314.473 3.803 20 30 DHEDMO CC[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC[C@@H]1c1ccccc1 ZINC000598597445 1041356960 /nfs/dbraw/zinc/35/69/60/1041356960.db2.gz XPWFJDASXIOLTI-NEWSRXKRSA-N 1 1 314.473 3.803 20 30 DHEDMO CCc1ccc([C@H]2CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C2)cc1 ZINC000598615948 1041362237 /nfs/dbraw/zinc/36/22/37/1041362237.db2.gz HIPHCPNBVHIIOA-OALUTQOASA-N 1 1 314.473 3.729 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000598616256 1041362389 /nfs/dbraw/zinc/36/23/89/1041362389.db2.gz LFVLECJHHJPNQG-ICSRJNTNSA-N 1 1 314.473 3.731 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000598626204 1041368484 /nfs/dbraw/zinc/36/84/84/1041368484.db2.gz UMFMPFXZCSAZHU-PKOBYXMFSA-N 1 1 318.436 3.523 20 30 DHEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093405888 335000620 /nfs/dbraw/zinc/00/06/20/335000620.db2.gz LNNRQUDJVIDICZ-CQSZACIVSA-N 1 1 319.518 3.713 20 30 DHEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283291675 335003672 /nfs/dbraw/zinc/00/36/72/335003672.db2.gz XZWHKIPNAWDVKP-SFHVURJKSA-N 1 1 314.473 3.827 20 30 DHEDMO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)c1cccc(C#N)c1)CC2 ZINC000442668520 335001127 /nfs/dbraw/zinc/00/11/27/335001127.db2.gz AYKPMJUWPCSJEK-HNNXBMFYSA-N 1 1 306.409 3.729 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+](C)CCc2ncc(C)s2)cc1 ZINC000093807279 335005095 /nfs/dbraw/zinc/00/50/95/335005095.db2.gz MQHBYMDDNONEOA-UHFFFAOYSA-N 1 1 314.454 3.528 20 30 DHEDMO C=CCCCN(C)C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000135089952 335019181 /nfs/dbraw/zinc/01/91/81/335019181.db2.gz OJGNGYQCUKZWPT-UHFFFAOYSA-N 1 1 302.462 3.955 20 30 DHEDMO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1nc(CCCC)no1 ZINC000285262921 335022650 /nfs/dbraw/zinc/02/26/50/335022650.db2.gz XMZIRVCAUIQYHR-DOTOQJQBSA-N 1 1 311.429 3.697 20 30 DHEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2c(F)cncc2F)cc1 ZINC000285712150 335024750 /nfs/dbraw/zinc/02/47/50/335024750.db2.gz PPDRFSHFKHJEFQ-CHWSQXEVSA-N 1 1 316.351 3.784 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000285892340 335027624 /nfs/dbraw/zinc/02/76/24/335027624.db2.gz JZZOHYRUHXAZEQ-VSKRKVRLSA-N 1 1 317.432 3.543 20 30 DHEDMO Cc1csc([C@H]([NH2+]CC#Cc2ccc(F)cc2)C2CC2)n1 ZINC000183495216 335031690 /nfs/dbraw/zinc/03/16/90/335031690.db2.gz YWNLLCYTVNGGLF-MRXNPFEDSA-N 1 1 300.402 3.683 20 30 DHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000055927870 184001097 /nfs/dbraw/zinc/00/10/97/184001097.db2.gz PSKQMXPICGVKQZ-OAHLLOKOSA-N 1 1 317.458 3.603 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)CCS1 ZINC000190690523 335047151 /nfs/dbraw/zinc/04/71/51/335047151.db2.gz JNPNXNOQGVNGMT-OAHLLOKOSA-N 1 1 304.459 3.697 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2cnc(C3OCCO3)s2)CCCC1(C)C ZINC000289502690 335064139 /nfs/dbraw/zinc/06/41/39/335064139.db2.gz CLTCWDRUERNKLE-CQSZACIVSA-N 1 1 322.474 3.755 20 30 DHEDMO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1nc2ccccc2n1C ZINC000272311824 130019021 /nfs/dbraw/zinc/01/90/21/130019021.db2.gz TZCTYEQWAWPYLN-CQSZACIVSA-N 1 1 316.408 3.785 20 30 DHEDMO CCn1nc(C[N@H+](C)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000274464083 130238597 /nfs/dbraw/zinc/23/85/97/130238597.db2.gz CDFHMERQWHODMS-UHFFFAOYSA-N 1 1 304.397 3.560 20 30 DHEDMO CCn1nc(C[N@@H+](C)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000274464083 130238598 /nfs/dbraw/zinc/23/85/98/130238598.db2.gz CDFHMERQWHODMS-UHFFFAOYSA-N 1 1 304.397 3.560 20 30 DHEDMO COc1ccc([C@@H](C[NH+](C)C)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000284454516 131082658 /nfs/dbraw/zinc/08/26/58/131082658.db2.gz UPSOBKNLBVXQKX-MGPUTAFESA-N 1 1 323.440 3.520 20 30 DHEDMO C[C@]12CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]1C2(Cl)Cl ZINC000284804632 131112426 /nfs/dbraw/zinc/11/24/26/131112426.db2.gz OWUIBGYGDDBJAL-KGLIPLIRSA-N 1 1 313.203 3.713 20 30 DHEDMO C[C@]12CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]1C2(Cl)Cl ZINC000284804632 131112427 /nfs/dbraw/zinc/11/24/27/131112427.db2.gz OWUIBGYGDDBJAL-KGLIPLIRSA-N 1 1 313.203 3.713 20 30 DHEDMO C[C@H](N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000286851040 131252173 /nfs/dbraw/zinc/25/21/73/131252173.db2.gz ALKVTRBNINXSNQ-IFXJQAMLSA-N 1 1 311.404 3.651 20 30 DHEDMO C[C@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000287058698 131262182 /nfs/dbraw/zinc/26/21/82/131262182.db2.gz XIKCWHNLOANIMM-WDEREUQCSA-N 1 1 324.881 3.733 20 30 DHEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(Cl)c1 ZINC000288596276 131331865 /nfs/dbraw/zinc/33/18/65/131331865.db2.gz PBYPBAASTNPDKV-OAHLLOKOSA-N 1 1 306.818 3.750 20 30 DHEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000289583903 131398378 /nfs/dbraw/zinc/39/83/78/131398378.db2.gz ZFBVLEFCCDIMSW-PMACEKPBSA-N 1 1 324.424 3.683 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)cc1 ZINC000298574193 132068182 /nfs/dbraw/zinc/06/81/82/132068182.db2.gz RDVLGGKFLHMKBS-UHFFFAOYSA-N 1 1 309.388 3.587 20 30 DHEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000120888999 132146883 /nfs/dbraw/zinc/14/68/83/132146883.db2.gz HHKNUEXGYAWEKM-HOCLYGCPSA-N 1 1 317.433 3.607 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2ncc(C3OCCO3)s2)CCCC1(C)C ZINC000289906726 335067288 /nfs/dbraw/zinc/06/72/88/335067288.db2.gz XTQOHSKHJCKDMZ-AWEZNQCLSA-N 1 1 322.474 3.755 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2ncc(C3OCCO3)s2)CCCC1(C)C ZINC000289906726 335067289 /nfs/dbraw/zinc/06/72/89/335067289.db2.gz XTQOHSKHJCKDMZ-AWEZNQCLSA-N 1 1 322.474 3.755 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1nc(C2CCCCC2)no1 ZINC000194859696 335084545 /nfs/dbraw/zinc/08/45/45/335084545.db2.gz RZFDQUZKVAYBOR-KCQAQPDRSA-N 1 1 302.422 3.850 20 30 DHEDMO COc1ccc(C[N@H+](CC2(C#N)CC2)C(C)(C)C)c(OC)c1 ZINC000343324874 335087311 /nfs/dbraw/zinc/08/73/11/335087311.db2.gz YJFLDBSYSXNBFJ-UHFFFAOYSA-N 1 1 302.418 3.608 20 30 DHEDMO COc1ccc(C[N@@H+](CC2(C#N)CC2)C(C)(C)C)c(OC)c1 ZINC000343324874 335087312 /nfs/dbraw/zinc/08/73/12/335087312.db2.gz YJFLDBSYSXNBFJ-UHFFFAOYSA-N 1 1 302.418 3.608 20 30 DHEDMO N#Cc1ccc2nc(NC[C@H]3CC[N@H+]3C3CCCC3)ccc2c1 ZINC000528208717 429861199 /nfs/dbraw/zinc/86/11/99/429861199.db2.gz LELNPKFNNSMTOK-QGZVFWFLSA-N 1 1 306.413 3.535 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(C#N)c(C)n2)cc1 ZINC000488130048 435636964 /nfs/dbraw/zinc/63/69/64/435636964.db2.gz RVVAFYDQRBVROZ-CYBMUJFWSA-N 1 1 317.396 3.929 20 30 DHEDMO Cc1c(Cl)cnc(NCCCC[N@@H+]2CCCC[C@@H]2C)c1C#N ZINC000544065674 435648347 /nfs/dbraw/zinc/64/83/47/435648347.db2.gz UBKXLNZFARYTTH-ZDUSSCGKSA-N 1 1 320.868 3.982 20 30 DHEDMO N#CC1(C[NH2+]C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000343326378 335092832 /nfs/dbraw/zinc/09/28/32/335092832.db2.gz QBJLUTBCXAAPAH-UHFFFAOYSA-N 1 1 305.219 3.722 20 30 DHEDMO C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCC#N ZINC000517557149 331706635 /nfs/dbraw/zinc/70/66/35/331706635.db2.gz YWAWQXZAFRLLEB-NOZJJQNGSA-N 1 1 311.248 3.735 20 30 DHEDMO Cc1csc([C@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)n1 ZINC000069168248 331823379 /nfs/dbraw/zinc/82/33/79/331823379.db2.gz QDWVMBZKDIJRQS-AWEZNQCLSA-N 1 1 315.442 3.985 20 30 DHEDMO COc1cc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)ccc1OC(C)C ZINC000030533479 331852123 /nfs/dbraw/zinc/85/21/23/331852123.db2.gz YPAUKJRXTGZEHF-CABCVRRESA-N 1 1 315.417 3.577 20 30 DHEDMO C[C@H](C[N@@H+](C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000569385525 332072373 /nfs/dbraw/zinc/07/23/73/332072373.db2.gz CRDVVCNORLYKDM-QGZVFWFLSA-N 1 1 308.425 3.810 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000569450121 332088951 /nfs/dbraw/zinc/08/89/51/332088951.db2.gz UQSFVCYEMFRCNS-IUODEOHRSA-N 1 1 303.793 3.587 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2ccc3ccccc3c2)C1=O ZINC000410332550 332112273 /nfs/dbraw/zinc/11/22/73/332112273.db2.gz KWIXRNLYFRVFJY-KXBFYZLASA-N 1 1 308.425 3.620 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000091891662 332113791 /nfs/dbraw/zinc/11/37/91/332113791.db2.gz FTIGQKAUCGKFSE-CABCVRRESA-N 1 1 306.475 3.966 20 30 DHEDMO N#Cc1ccc2ncc(C[N@@H+](CC3CCCCC3)C3CC3)n2c1 ZINC000092165128 332120502 /nfs/dbraw/zinc/12/05/02/332120502.db2.gz FBICENPELORSQF-UHFFFAOYSA-N 1 1 308.429 3.751 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2c2cccc(C)c2C)C1=O ZINC000410387395 332122474 /nfs/dbraw/zinc/12/24/74/332122474.db2.gz NGCFEQCCDJZDNG-OALUTQOASA-N 1 1 312.457 3.617 20 30 DHEDMO N#Cc1cnc(C[N@@H+]2CCCCC[C@H]2/C=C\c2ccccc2)nc1 ZINC000569559806 332137846 /nfs/dbraw/zinc/13/78/46/332137846.db2.gz KPDUHRSAPCIJGM-GDWUOILNSA-N 1 1 318.424 3.806 20 30 DHEDMO N#Cc1cnc(C[N@H+]2CCCCC[C@H]2/C=C\c2ccccc2)nc1 ZINC000569559806 332137847 /nfs/dbraw/zinc/13/78/47/332137847.db2.gz KPDUHRSAPCIJGM-GDWUOILNSA-N 1 1 318.424 3.806 20 30 DHEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@]3(C#N)C[C@@H]3C)c2C1 ZINC000410433405 332143714 /nfs/dbraw/zinc/14/37/14/332143714.db2.gz LLFQHWQHERSVNW-LIRRHRJNSA-N 1 1 311.429 3.537 20 30 DHEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000448015838 332159000 /nfs/dbraw/zinc/15/90/00/332159000.db2.gz RPDVHAFBSTUXCI-BLLLJJGKSA-N 1 1 317.433 3.607 20 30 DHEDMO CCC(CC)[C@H](CN[C@@H](CC)c1ccc(C#N)cc1)[NH+](C)C ZINC000559984752 332299501 /nfs/dbraw/zinc/29/95/01/332299501.db2.gz PMQMRQCKHQLZGV-OALUTQOASA-N 1 1 301.478 3.965 20 30 DHEDMO CCC(CC)[C@@H](CN[C@@H](CC)c1ccc(C#N)cc1)[NH+](C)C ZINC000559984753 332299531 /nfs/dbraw/zinc/29/95/31/332299531.db2.gz PMQMRQCKHQLZGV-RBUKOAKNSA-N 1 1 301.478 3.965 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000152962669 332333724 /nfs/dbraw/zinc/33/37/24/332333724.db2.gz GRSDZZLLWASUCB-GOSISDBHSA-N 1 1 318.436 3.670 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000152987480 332334883 /nfs/dbraw/zinc/33/48/83/332334883.db2.gz ZTCTXAWUHQABQB-INIZCTEOSA-N 1 1 302.462 3.695 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000560673568 332375918 /nfs/dbraw/zinc/37/59/18/332375918.db2.gz BZIKVPUSQNJSLA-QGZVFWFLSA-N 1 1 310.372 3.566 20 30 DHEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)CC(C)(C)CCC#N ZINC000120305980 332385219 /nfs/dbraw/zinc/38/52/19/332385219.db2.gz SDKYYWIWSXFECR-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)CCC)c1ccc(F)c(F)c1 ZINC000248547294 332607091 /nfs/dbraw/zinc/60/70/91/332607091.db2.gz GCAARPUFMZBTJX-XNJGSVPQSA-N 1 1 324.415 3.865 20 30 DHEDMO Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(CCC#N)CC1 ZINC000570330172 332741560 /nfs/dbraw/zinc/74/15/60/332741560.db2.gz ZKDHEVKPQVZHSF-UHFFFAOYSA-N 1 1 319.836 3.603 20 30 DHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000313930137 333078132 /nfs/dbraw/zinc/07/81/32/333078132.db2.gz VJXWBQBLJJEADB-CYBMUJFWSA-N 1 1 300.299 3.860 20 30 DHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000313930137 333078133 /nfs/dbraw/zinc/07/81/33/333078133.db2.gz VJXWBQBLJJEADB-CYBMUJFWSA-N 1 1 300.299 3.860 20 30 DHEDMO CC(C)(C#N)CCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000174853509 333091747 /nfs/dbraw/zinc/09/17/47/333091747.db2.gz YSYRSKWOBCYWQW-QGZVFWFLSA-N 1 1 316.445 3.703 20 30 DHEDMO C[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccc(C#N)cc1 ZINC000113318509 333119413 /nfs/dbraw/zinc/11/94/13/333119413.db2.gz IJCFTKNDINHSTA-GFCCVEGCSA-N 1 1 310.788 3.710 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000216208825 333149367 /nfs/dbraw/zinc/14/93/67/333149367.db2.gz HDSGGFQNVVPYDD-ZDUSSCGKSA-N 1 1 324.852 3.882 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C[C@H](O)CSC)C(C)(C)C)cc1 ZINC000187942954 333153587 /nfs/dbraw/zinc/15/35/87/333153587.db2.gz HKIBXXOSRNGEQV-INIZCTEOSA-N 1 1 323.502 3.576 20 30 DHEDMO Cc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000180028995 333157373 /nfs/dbraw/zinc/15/73/73/333157373.db2.gz QOJXORNMBILNDM-UHFFFAOYSA-N 1 1 321.380 3.940 20 30 DHEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(-c2cccnc2)cc1 ZINC000181279409 333168674 /nfs/dbraw/zinc/16/86/74/333168674.db2.gz OSSUQTDUFTUJTC-HZPDHXFCSA-N 1 1 304.397 3.843 20 30 DHEDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000182066094 333175283 /nfs/dbraw/zinc/17/52/83/333175283.db2.gz LHSIMIMWXWRYRQ-MRXNPFEDSA-N 1 1 308.429 3.624 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000184089285 333191810 /nfs/dbraw/zinc/19/18/10/333191810.db2.gz PKVBSYGONQXKEL-IBGZPJMESA-N 1 1 319.408 3.919 20 30 DHEDMO CC[C@H](CC#N)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000184093483 333191877 /nfs/dbraw/zinc/19/18/77/333191877.db2.gz FQFQSTRZNAIEDH-CQSZACIVSA-N 1 1 321.218 3.507 20 30 DHEDMO CC[C@@H](CC#N)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000184088842 333191887 /nfs/dbraw/zinc/19/18/87/333191887.db2.gz HWJFVSIBRYSWRR-INIZCTEOSA-N 1 1 305.853 3.586 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000184089309 333191902 /nfs/dbraw/zinc/19/19/02/333191902.db2.gz PKVBSYGONQXKEL-LJQANCHMSA-N 1 1 319.408 3.919 20 30 DHEDMO Cc1cc(C)c(C#N)c(N[C@H](C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000309902072 333206812 /nfs/dbraw/zinc/20/68/12/333206812.db2.gz PDUQBOQXNLVGCH-MRXNPFEDSA-N 1 1 308.429 3.503 20 30 DHEDMO N#CCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000364054246 333228077 /nfs/dbraw/zinc/22/80/77/333228077.db2.gz IMQKNHGEDNEGIS-WOJBJXKFSA-N 1 1 311.473 3.809 20 30 DHEDMO N#CCCCCN1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000364054246 333228079 /nfs/dbraw/zinc/22/80/79/333228079.db2.gz IMQKNHGEDNEGIS-WOJBJXKFSA-N 1 1 311.473 3.809 20 30 DHEDMO N#CCCCCN1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000364054246 333228081 /nfs/dbraw/zinc/22/80/81/333228081.db2.gz IMQKNHGEDNEGIS-WOJBJXKFSA-N 1 1 311.473 3.809 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000364079120 333234679 /nfs/dbraw/zinc/23/46/79/333234679.db2.gz JXFZHNPRQUNMOC-CVEARBPZSA-N 1 1 303.450 3.772 20 30 DHEDMO N#Cc1c(Cl)cccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000393631324 333239799 /nfs/dbraw/zinc/23/97/99/333239799.db2.gz DVVGNLQIVIRDHS-HNNXBMFYSA-N 1 1 311.816 3.898 20 30 DHEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000497405417 333247019 /nfs/dbraw/zinc/24/70/19/333247019.db2.gz JCCXKRKSTKXWDK-FQEVSTJZSA-N 1 1 321.424 3.826 20 30 DHEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000497405418 333247071 /nfs/dbraw/zinc/24/70/71/333247071.db2.gz JCCXKRKSTKXWDK-HXUWFJFHSA-N 1 1 321.424 3.826 20 30 DHEDMO N#Cc1ncccc1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310503664 333252447 /nfs/dbraw/zinc/25/24/47/333252447.db2.gz IPZWUIUSPVREJA-SFHVURJKSA-N 1 1 320.440 3.667 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)ccc1C#N ZINC000319069417 333252780 /nfs/dbraw/zinc/25/27/80/333252780.db2.gz YGQMHYHLSJIWGY-AWEZNQCLSA-N 1 1 312.335 3.730 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000190526252 333271829 /nfs/dbraw/zinc/27/18/29/333271829.db2.gz RJRMXMTYGITOKR-JTQLQIEISA-N 1 1 301.615 3.884 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCC1CCOCC1 ZINC000368632927 333272103 /nfs/dbraw/zinc/27/21/03/333272103.db2.gz PLZYWWOQHISQCA-PMACEKPBSA-N 1 1 312.457 3.965 20 30 DHEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)CCC1 ZINC000364213431 333273609 /nfs/dbraw/zinc/27/36/09/333273609.db2.gz LKBQPBPOGADGLB-GOEBONIOSA-N 1 1 318.486 3.604 20 30 DHEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000364427261 333313708 /nfs/dbraw/zinc/31/37/08/333313708.db2.gz HCWRLRPWISPBAO-RDJZCZTQSA-N 1 1 318.486 3.626 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000367446414 333333017 /nfs/dbraw/zinc/33/30/17/333333017.db2.gz DVHRWKFCDKAAPF-KRWDZBQOSA-N 1 1 323.358 3.559 20 30 DHEDMO C=C(Cl)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160718795 333367576 /nfs/dbraw/zinc/36/75/76/333367576.db2.gz JKGQPTNNPBOPAZ-PBWFPOADSA-N 1 1 314.857 3.601 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1F ZINC000391946096 335136560 /nfs/dbraw/zinc/13/65/60/335136560.db2.gz WIVAQLZRJVBPMT-KZNAEPCWSA-N 1 1 316.420 3.603 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000188617787 333380696 /nfs/dbraw/zinc/38/06/96/333380696.db2.gz DPXVBCOSDIZHNJ-LIRRHRJNSA-N 1 1 311.429 3.960 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000185724877 335147226 /nfs/dbraw/zinc/14/72/26/335147226.db2.gz NIFIXVBCNORNNP-HKUYNNGSSA-N 1 1 314.473 3.569 20 30 DHEDMO CC[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000343446966 335165476 /nfs/dbraw/zinc/16/54/76/335165476.db2.gz HXTHPPXOPLANIR-VXGBXAGGSA-N 1 1 307.825 3.517 20 30 DHEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CCC(C)(C)C#N)C3)nc2c1 ZINC000272039077 334029975 /nfs/dbraw/zinc/02/99/75/334029975.db2.gz QNSZJEAOOZZPDK-OAHLLOKOSA-N 1 1 310.445 3.991 20 30 DHEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](CCC(C)(C)C#N)C3)[nH]c2c1 ZINC000272039077 334029977 /nfs/dbraw/zinc/02/99/77/334029977.db2.gz QNSZJEAOOZZPDK-OAHLLOKOSA-N 1 1 310.445 3.991 20 30 DHEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](CCC(C)(C)C#N)C3)[nH]c2c1 ZINC000272039077 334029978 /nfs/dbraw/zinc/02/99/78/334029978.db2.gz QNSZJEAOOZZPDK-OAHLLOKOSA-N 1 1 310.445 3.991 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000272062792 334030507 /nfs/dbraw/zinc/03/05/07/334030507.db2.gz XCSBDKYOQXBLTM-DLBZAZTESA-N 1 1 304.409 3.653 20 30 DHEDMO CC[N@H+](CCC#N)Cc1ccc(Br)c2cccnc12 ZINC000272249154 334031916 /nfs/dbraw/zinc/03/19/16/334031916.db2.gz HZNYIEGUUOPCOP-UHFFFAOYSA-N 1 1 318.218 3.733 20 30 DHEDMO CC[N@@H+](CCC#N)Cc1ccc(Br)c2cccnc12 ZINC000272249154 334031917 /nfs/dbraw/zinc/03/19/17/334031917.db2.gz HZNYIEGUUOPCOP-UHFFFAOYSA-N 1 1 318.218 3.733 20 30 DHEDMO COc1ccc2oc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)c(C)c2c1 ZINC000273296729 334045161 /nfs/dbraw/zinc/04/51/61/334045161.db2.gz MEZMEHAJUNVSCR-KGLIPLIRSA-N 1 1 311.385 3.844 20 30 DHEDMO Cc1cc(-c2noc([C@H](C)[NH2+][C@@H]3CC[C@@H](C#N)C3)n2)ccc1F ZINC000274405014 334060991 /nfs/dbraw/zinc/06/09/91/334060991.db2.gz FINVZRQNNDRHLV-OUCADQQQSA-N 1 1 314.364 3.527 20 30 DHEDMO C[N@@H+](CCCSCC#N)[C@]1(c2ccccc2)CCCCC1=O ZINC000276437472 334078285 /nfs/dbraw/zinc/07/82/85/334078285.db2.gz KRPUIDLLJSBQPK-SFHVURJKSA-N 1 1 316.470 3.604 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000277545435 334088992 /nfs/dbraw/zinc/08/89/92/334088992.db2.gz BQUJKXFPXJFHLC-KRWDZBQOSA-N 1 1 304.409 3.919 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000277545435 334088993 /nfs/dbraw/zinc/08/89/93/334088993.db2.gz BQUJKXFPXJFHLC-KRWDZBQOSA-N 1 1 304.409 3.919 20 30 DHEDMO CC(C)CC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccsc1 ZINC000438095158 334089367 /nfs/dbraw/zinc/08/93/67/334089367.db2.gz LVMKLZPDEQFSLB-UHFFFAOYSA-N 1 1 302.447 3.900 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccsc1 ZINC000438095158 334089369 /nfs/dbraw/zinc/08/93/69/334089369.db2.gz LVMKLZPDEQFSLB-UHFFFAOYSA-N 1 1 302.447 3.900 20 30 DHEDMO Cn1cc(C[N@@H+](C)CCCCC(C)(C)C#N)c(C(F)(F)F)n1 ZINC000277636560 334089598 /nfs/dbraw/zinc/08/95/98/334089598.db2.gz HFTXPJULUSMDPL-UHFFFAOYSA-N 1 1 316.371 3.591 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000277773573 334090662 /nfs/dbraw/zinc/09/06/62/334090662.db2.gz RJPMQFYLDMYWEQ-KRWDZBQOSA-N 1 1 304.434 3.981 20 30 DHEDMO Cc1ccnc(NCc2ccccc2C[N@H+](C)C(C)C)c1C#N ZINC000343507514 335172700 /nfs/dbraw/zinc/17/27/00/335172700.db2.gz HEBLSGHJTFWACR-UHFFFAOYSA-N 1 1 308.429 3.714 20 30 DHEDMO C[N@@H+](CCc1ccc(Br)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000278683509 334099621 /nfs/dbraw/zinc/09/96/21/334099621.db2.gz RWCDOCTVTDDZTB-ZFWWWQNUSA-N 1 1 307.235 3.616 20 30 DHEDMO C[N@@H+](Cc1cc(Br)ccc1F)[C@H]1CC[C@@H](C#N)C1 ZINC000278727387 334100470 /nfs/dbraw/zinc/10/04/70/334100470.db2.gz VNJIHIGPZDKIMY-MFKMUULPSA-N 1 1 311.198 3.712 20 30 DHEDMO COc1cc(C[NH2+][C@@H](c2nc(C)cs2)C2CC2)ccc1C#N ZINC000281834222 334128776 /nfs/dbraw/zinc/12/87/76/334128776.db2.gz XYIDFUNXIXICFH-MRXNPFEDSA-N 1 1 313.426 3.573 20 30 DHEDMO CCC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000281891059 334129354 /nfs/dbraw/zinc/12/93/54/334129354.db2.gz DURVWCMNDVHTEV-UHFFFAOYSA-N 1 1 300.446 3.999 20 30 DHEDMO CC[C@H](c1ccncc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000282086514 334131135 /nfs/dbraw/zinc/13/11/35/334131135.db2.gz UXYIYYHQOFJLNE-QGZVFWFLSA-N 1 1 301.434 3.565 20 30 DHEDMO Cc1noc(C)c1C(C)(C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000285468843 334148167 /nfs/dbraw/zinc/14/81/67/334148167.db2.gz ASISOAXCERWHKN-UHFFFAOYSA-N 1 1 302.805 3.821 20 30 DHEDMO C[N@@H+](CCCC(C)(C)C#N)CCc1nc(-c2ccccc2)no1 ZINC000285940731 334150658 /nfs/dbraw/zinc/15/06/58/334150658.db2.gz MECABUHDOJDHLM-UHFFFAOYSA-N 1 1 312.417 3.541 20 30 DHEDMO CC(C)C[N@@H+](CCC(=O)Nc1sccc1C#N)C1CCCC1 ZINC000343578188 335178956 /nfs/dbraw/zinc/17/89/56/335178956.db2.gz DQKKNUPTKRGOIO-UHFFFAOYSA-N 1 1 319.474 3.849 20 30 DHEDMO COc1ccc(C[N@@H+](CCCSCC#N)C(C)(C)C)cc1 ZINC000288891712 334162394 /nfs/dbraw/zinc/16/23/94/334162394.db2.gz RXCXWTWDYOKWDF-UHFFFAOYSA-N 1 1 306.475 3.943 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000289266684 334164043 /nfs/dbraw/zinc/16/40/43/334164043.db2.gz GAWAZZFKHDPOKR-GUDVDZBRSA-N 1 1 312.457 3.821 20 30 DHEDMO CN(C)CC[N@@H+](Cc1cccc(F)c1)CC(C)(C)CCC#N ZINC000289401043 334164783 /nfs/dbraw/zinc/16/47/83/334164783.db2.gz GPCDJCZZSCJVKZ-UHFFFAOYSA-N 1 1 305.441 3.519 20 30 DHEDMO C[NH+](C)CCN(Cc1cccc(F)c1)CC(C)(C)CCC#N ZINC000289401043 334164784 /nfs/dbraw/zinc/16/47/84/334164784.db2.gz GPCDJCZZSCJVKZ-UHFFFAOYSA-N 1 1 305.441 3.519 20 30 DHEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290313719 334172381 /nfs/dbraw/zinc/17/23/81/334172381.db2.gz CIFDVVVQQFERRM-MRXNPFEDSA-N 1 1 305.491 3.610 20 30 DHEDMO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000292372870 334187314 /nfs/dbraw/zinc/18/73/14/334187314.db2.gz IXFIILYAXJRDKT-XJKSGUPXSA-N 1 1 319.861 3.950 20 30 DHEDMO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000292372870 334187315 /nfs/dbraw/zinc/18/73/15/334187315.db2.gz IXFIILYAXJRDKT-XJKSGUPXSA-N 1 1 319.861 3.950 20 30 DHEDMO Cn1ccnc1[C@H]1CCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000366693222 334190821 /nfs/dbraw/zinc/19/08/21/334190821.db2.gz FNCANWZTPBEEPW-QGZVFWFLSA-N 1 1 308.429 3.558 20 30 DHEDMO Cn1ccnc1[C@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000366693222 334190823 /nfs/dbraw/zinc/19/08/23/334190823.db2.gz FNCANWZTPBEEPW-QGZVFWFLSA-N 1 1 308.429 3.558 20 30 DHEDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H]1CC[C@H](C#N)C1 ZINC000292705513 334191221 /nfs/dbraw/zinc/19/12/21/334191221.db2.gz DOCJZAJZGPWUMM-SMDDNHRTSA-N 1 1 323.234 3.669 20 30 DHEDMO N#CCCC[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000292756418 334191944 /nfs/dbraw/zinc/19/19/44/334191944.db2.gz RYGKCFHCBPGHKW-AWEZNQCLSA-N 1 1 307.235 3.617 20 30 DHEDMO C[C@H](CCC#N)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000298704519 334250652 /nfs/dbraw/zinc/25/06/52/334250652.db2.gz TXJFEPRZEYCVET-RLLQIKCJSA-N 1 1 311.473 3.665 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000534657191 334314434 /nfs/dbraw/zinc/31/44/34/334314434.db2.gz QDYMVCZRXFEELH-GOSISDBHSA-N 1 1 312.800 3.865 20 30 DHEDMO C[N@H+](CCC(=O)Nc1sccc1C#N)CCC1CCCCC1 ZINC000101565980 334327787 /nfs/dbraw/zinc/32/77/87/334327787.db2.gz CKSXIYASJUSNKF-UHFFFAOYSA-N 1 1 319.474 3.851 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@H]2c2ccccn2)cc(OC)c1O ZINC000535067667 334363047 /nfs/dbraw/zinc/36/30/47/334363047.db2.gz WCBZEXODLAKSMR-SFHVURJKSA-N 1 1 324.424 3.861 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc(OC)c1O ZINC000535067652 334363056 /nfs/dbraw/zinc/36/30/56/334363056.db2.gz WCBZEXODLAKSMR-GOSISDBHSA-N 1 1 324.424 3.861 20 30 DHEDMO C=CC[C@@H](CO)CNc1cc[nH+]c2cc(Br)ccc12 ZINC000340890000 334393639 /nfs/dbraw/zinc/39/36/39/334393639.db2.gz UAUHRMZHFKZFLA-LLVKDONJSA-N 1 1 321.218 3.594 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000340934834 334394742 /nfs/dbraw/zinc/39/47/42/334394742.db2.gz XRHYDOIJNFJSPI-IRXDYDNUSA-N 1 1 315.461 3.785 20 30 DHEDMO N#Cc1cccc(C[NH+]2CCC(OC3CCCC3)CC2)c1F ZINC000340947935 334396004 /nfs/dbraw/zinc/39/60/04/334396004.db2.gz JGDBNRBZAKMAOS-UHFFFAOYSA-N 1 1 302.393 3.621 20 30 DHEDMO CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)n1C ZINC000328800275 334758021 /nfs/dbraw/zinc/75/80/21/334758021.db2.gz YFTQOLZTKOQYJM-SOUVJXGZSA-N 1 1 318.465 3.549 20 30 DHEDMO N#CCc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000343624272 335182697 /nfs/dbraw/zinc/18/26/97/335182697.db2.gz YQSYNBGSASUQMZ-UHFFFAOYSA-N 1 1 321.380 3.825 20 30 DHEDMO C=CCSc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1CCC ZINC000343632917 335183065 /nfs/dbraw/zinc/18/30/65/335183065.db2.gz DJIQGZZOOMPFFL-OAHLLOKOSA-N 1 1 318.486 3.569 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc2c(c1)CCC2 ZINC000344073423 335215279 /nfs/dbraw/zinc/21/52/79/335215279.db2.gz PHTVDEMPICRTBU-UHFFFAOYSA-N 1 1 320.436 3.696 20 30 DHEDMO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000366867162 335250867 /nfs/dbraw/zinc/25/08/67/335250867.db2.gz ITQVYTIYCVMRIB-IBGZPJMESA-N 1 1 322.456 3.948 20 30 DHEDMO C[C@@H](CC#N)[N@H+](C)CCCOc1cccc(C(F)(F)F)c1 ZINC000345858094 335355822 /nfs/dbraw/zinc/35/58/22/335355822.db2.gz BZPSJUXGKCEEPT-LBPRGKRZSA-N 1 1 300.324 3.708 20 30 DHEDMO C[C@@H](CC#N)[N@@H+](C)CCCOc1cccc(C(F)(F)F)c1 ZINC000345858094 335355823 /nfs/dbraw/zinc/35/58/23/335355823.db2.gz BZPSJUXGKCEEPT-LBPRGKRZSA-N 1 1 300.324 3.708 20 30 DHEDMO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000329628352 336016266 /nfs/dbraw/zinc/01/62/66/336016266.db2.gz HGBBGRJBZXRWTN-TZMCWYRMSA-N 1 1 316.401 3.514 20 30 DHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000329664487 336034044 /nfs/dbraw/zinc/03/40/44/336034044.db2.gz QJLQJKVIDWCNCO-ZBFHGGJFSA-N 1 1 303.450 3.680 20 30 DHEDMO C=CC[N@@H+](Cc1c(C)nc2sc(C)nn12)Cc1ccccc1 ZINC000351587899 336047636 /nfs/dbraw/zinc/04/76/36/336047636.db2.gz CPPYBRZMCXIZEL-UHFFFAOYSA-N 1 1 312.442 3.596 20 30 DHEDMO C=CC[N@H+](Cc1c(C)nc2sc(C)nn12)Cc1ccccc1 ZINC000351587899 336047638 /nfs/dbraw/zinc/04/76/38/336047638.db2.gz CPPYBRZMCXIZEL-UHFFFAOYSA-N 1 1 312.442 3.596 20 30 DHEDMO Cc1ccc(-c2ccnn2C)cc1NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000329823069 336086337 /nfs/dbraw/zinc/08/63/37/336086337.db2.gz HJOYFKTZNVBHFZ-SFHVURJKSA-N 1 1 324.428 3.610 20 30 DHEDMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000329837241 336088167 /nfs/dbraw/zinc/08/81/67/336088167.db2.gz VJOWDNKDYFOCOU-JFIYKMOQSA-N 1 1 324.428 3.753 20 30 DHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000331716937 336145470 /nfs/dbraw/zinc/14/54/70/336145470.db2.gz OUNIKXMYJCIERK-UWWQBHOKSA-N 1 1 311.429 3.540 20 30 DHEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332622446 336176626 /nfs/dbraw/zinc/17/66/26/336176626.db2.gz COXKZNUZJIMOLJ-XJKSGUPXSA-N 1 1 310.401 3.619 20 30 DHEDMO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccs1 ZINC000351976389 336185072 /nfs/dbraw/zinc/18/50/72/336185072.db2.gz RQHVHCXZUPBWFC-INIZCTEOSA-N 1 1 318.417 3.608 20 30 DHEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000333561795 336205548 /nfs/dbraw/zinc/20/55/48/336205548.db2.gz RSBUHZILLZJACH-NFAWXSAZSA-N 1 1 317.458 3.601 20 30 DHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC2(CCCC2)C1 ZINC000333753112 336209461 /nfs/dbraw/zinc/20/94/61/336209461.db2.gz TZRQITJJWCCGNX-HNNXBMFYSA-N 1 1 311.429 3.541 20 30 DHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC2(CCCC2)C1 ZINC000333762008 336209720 /nfs/dbraw/zinc/20/97/20/336209720.db2.gz VYEWLXINNIDXOJ-UHFFFAOYSA-N 1 1 311.429 3.543 20 30 DHEDMO COC[C@H](C)[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000352303339 336211027 /nfs/dbraw/zinc/21/10/27/336211027.db2.gz RRDIKDBXKUMHBZ-INIZCTEOSA-N 1 1 324.424 3.604 20 30 DHEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCC[C@@H]1O ZINC000352674780 336229864 /nfs/dbraw/zinc/22/98/64/336229864.db2.gz QDALQEPIWXUUSP-UXHICEINSA-N 1 1 306.409 3.570 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1cccc2ccccc21)C[C@@H](C)C#N ZINC000103469606 336241099 /nfs/dbraw/zinc/24/10/99/336241099.db2.gz RQOCZRKJIJQCCO-HNNXBMFYSA-N 1 1 309.413 3.650 20 30 DHEDMO N#Cc1csc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000352820929 336256329 /nfs/dbraw/zinc/25/63/29/336256329.db2.gz FEIRNKBZWAZWKS-HNNXBMFYSA-N 1 1 303.818 3.909 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000532699543 336267078 /nfs/dbraw/zinc/26/70/78/336267078.db2.gz RYOWPWVGPDRQIP-AXVVYFOYSA-N 1 1 311.473 3.956 20 30 DHEDMO C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352835750 336272203 /nfs/dbraw/zinc/27/22/03/336272203.db2.gz LCYRNAGFVFCIRJ-HWPZZCPQSA-N 1 1 301.390 3.567 20 30 DHEDMO C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352835756 336272234 /nfs/dbraw/zinc/27/22/34/336272234.db2.gz LCYRNAGFVFCIRJ-QLJPJBMISA-N 1 1 301.390 3.567 20 30 DHEDMO N#Cc1csc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)n1 ZINC000352854708 336280653 /nfs/dbraw/zinc/28/06/53/336280653.db2.gz RQNFCOCUAGABHZ-UHFFFAOYSA-N 1 1 313.426 3.626 20 30 DHEDMO N#Cc1cc(F)ccc1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192957392 336285971 /nfs/dbraw/zinc/28/59/71/336285971.db2.gz FFFFAZYPCLZELI-MRXNPFEDSA-N 1 1 309.388 3.631 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc(C#N)nc2)C1 ZINC000301555655 336314652 /nfs/dbraw/zinc/31/46/52/336314652.db2.gz ZRZDGOCZXGFTET-INIZCTEOSA-N 1 1 320.440 3.797 20 30 DHEDMO C[N@H+]1CCC[C@@H](CNc2ccc(C#N)nc2)[C@@H]1c1cccs1 ZINC000301584341 336316457 /nfs/dbraw/zinc/31/64/57/336316457.db2.gz VPXPSYLXLODORG-SUMWQHHRSA-N 1 1 312.442 3.510 20 30 DHEDMO N#Cc1ccc(Cl)cc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301751520 336327684 /nfs/dbraw/zinc/32/76/84/336327684.db2.gz BBNDBEBHEBMIMH-YOEHRIQHSA-N 1 1 315.848 3.665 20 30 DHEDMO C=CCc1cc(CNc2[nH]c3ccccc3[nH+]2)cc(OC)c1OC ZINC000301851722 336334112 /nfs/dbraw/zinc/33/41/12/336334112.db2.gz BKHBQZDWUJVLHL-UHFFFAOYSA-N 1 1 323.396 3.921 20 30 DHEDMO C[N@H+]1CC[C@H](Nc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000301866401 336335131 /nfs/dbraw/zinc/33/51/31/336335131.db2.gz DKSVLQLWNJDARH-ZWKOTPCHSA-N 1 1 313.351 3.694 20 30 DHEDMO N#Cc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1F ZINC000352887630 336337090 /nfs/dbraw/zinc/33/70/90/336337090.db2.gz SLVDBBUAQHZJGE-IBGZPJMESA-N 1 1 324.399 3.879 20 30 DHEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1F ZINC000352887630 336337091 /nfs/dbraw/zinc/33/70/91/336337091.db2.gz SLVDBBUAQHZJGE-IBGZPJMESA-N 1 1 324.399 3.879 20 30 DHEDMO Cc1ccc(CNc2ccc(C#N)cc2F)c(N2CCCC2)[nH+]1 ZINC000302032813 336344246 /nfs/dbraw/zinc/34/42/46/336344246.db2.gz CVLIYZKIZDQILN-UHFFFAOYSA-N 1 1 310.376 3.613 20 30 DHEDMO C=C(C)CNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000302469474 336359442 /nfs/dbraw/zinc/35/94/42/336359442.db2.gz VTLIIKKDCHQQKU-UHFFFAOYSA-N 1 1 316.474 3.892 20 30 DHEDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C2 ZINC000302710787 336366129 /nfs/dbraw/zinc/36/61/29/336366129.db2.gz ZJVHROJHQIDPOB-CYBMUJFWSA-N 1 1 320.318 3.509 20 30 DHEDMO C=C(C)CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cnn(C(C)C)c1 ZINC000352904969 336375605 /nfs/dbraw/zinc/37/56/05/336375605.db2.gz WOCMMPCOTWIDKN-IBGZPJMESA-N 1 1 318.509 3.717 20 30 DHEDMO C=C(C)CN1CCC([NH2+]Cc2ccccc2Br)CC1 ZINC000106245611 336389169 /nfs/dbraw/zinc/38/91/69/336389169.db2.gz OMKVBDAIQXSVTJ-UHFFFAOYSA-N 1 1 323.278 3.579 20 30 DHEDMO OC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000563985602 336389555 /nfs/dbraw/zinc/38/95/55/336389555.db2.gz KKCODTANGCDYEA-KRWDZBQOSA-N 1 1 320.219 3.668 20 30 DHEDMO C=CCCC1(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)CC1 ZINC000357104258 336573831 /nfs/dbraw/zinc/57/38/31/336573831.db2.gz FUADQSJIRJMTHS-UHFFFAOYSA-N 1 1 314.429 3.506 20 30 DHEDMO CC[C@H]([NH2+]CC1(C#N)CC1)c1cc(F)cc(Br)c1 ZINC000362568367 336804421 /nfs/dbraw/zinc/80/44/21/336804421.db2.gz KUZTYFBNOVAEFN-ZDUSSCGKSA-N 1 1 311.198 3.933 20 30 DHEDMO Cc1cnn(-c2ccc([C@@H](C)[NH2+]Cc3ccc(C#N)o3)cc2F)c1 ZINC000362907217 336814444 /nfs/dbraw/zinc/81/44/44/336814444.db2.gz SRRHGSSPRVTFHY-CYBMUJFWSA-N 1 1 324.359 3.635 20 30 DHEDMO C=C(Br)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000368568363 336848058 /nfs/dbraw/zinc/84/80/58/336848058.db2.gz DOJWBGBAARYAAA-UHFFFAOYSA-N 1 1 320.234 3.651 20 30 DHEDMO Cc1n[nH]cc1C[NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370559003 336887580 /nfs/dbraw/zinc/88/75/80/336887580.db2.gz VVAWUNJGMZIDIN-GFCCVEGCSA-N 1 1 323.425 3.564 20 30 DHEDMO C=C[C@H](CC(=O)NCc1[nH+]c(C)n2c1CCCC2)c1ccccc1 ZINC000372861801 336941232 /nfs/dbraw/zinc/94/12/32/336941232.db2.gz YQMJMRHYRWKNJO-MRXNPFEDSA-N 1 1 323.440 3.504 20 30 DHEDMO C[C@@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@@H]1C ZINC000122559037 337013014 /nfs/dbraw/zinc/01/30/14/337013014.db2.gz CMVRZWZOTZYYGJ-CVEARBPZSA-N 1 1 323.440 3.716 20 30 DHEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(c2ccccc2CO)CC1 ZINC000375565020 337013499 /nfs/dbraw/zinc/01/34/99/337013499.db2.gz LGDLFVWNIYHBGO-UHFFFAOYSA-N 1 1 324.399 3.569 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@H]1CCCc2cccnc21 ZINC000376002119 337025047 /nfs/dbraw/zinc/02/50/47/337025047.db2.gz YCMWXQVVDDNTJJ-SFHVURJKSA-N 1 1 321.424 3.861 20 30 DHEDMO C=C(C)CC[N@H+](C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000376331382 337031559 /nfs/dbraw/zinc/03/15/59/337031559.db2.gz IFJYSEGGRBEFJY-UHFFFAOYSA-N 1 1 315.461 3.829 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC2(CCC2)C1 ZINC000123473581 337048612 /nfs/dbraw/zinc/04/86/12/337048612.db2.gz SRTNFSIKYZBRAX-UHFFFAOYSA-N 1 1 316.470 3.779 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC2(CCC2)C1 ZINC000123473581 337048613 /nfs/dbraw/zinc/04/86/13/337048613.db2.gz SRTNFSIKYZBRAX-UHFFFAOYSA-N 1 1 316.470 3.779 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000377570296 337055452 /nfs/dbraw/zinc/05/54/52/337055452.db2.gz YEVSALCMOPVOLH-IBGZPJMESA-N 1 1 300.446 3.690 20 30 DHEDMO N#Cc1ccc(CN[C@H]2CCC[N@@H+](C3CCCCC3)C2)s1 ZINC000377988735 337064844 /nfs/dbraw/zinc/06/48/44/337064844.db2.gz BZMIALRZADVNCL-AWEZNQCLSA-N 1 1 303.475 3.506 20 30 DHEDMO N#Cc1ccc(CN[C@H]2CCC[N@H+](C3CCCCC3)C2)s1 ZINC000377988735 337064845 /nfs/dbraw/zinc/06/48/45/337064845.db2.gz BZMIALRZADVNCL-AWEZNQCLSA-N 1 1 303.475 3.506 20 30 DHEDMO C[N@H+]1CCC[C@H](CNc2cnccc2C#N)[C@H]1c1cccs1 ZINC000378374657 337071134 /nfs/dbraw/zinc/07/11/34/337071134.db2.gz YTMVIJZDIXOQHV-PBHICJAKSA-N 1 1 312.442 3.510 20 30 DHEDMO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000378424813 337072410 /nfs/dbraw/zinc/07/24/10/337072410.db2.gz FCTCBGVYDNVYOQ-QGZVFWFLSA-N 1 1 318.380 3.849 20 30 DHEDMO N#Cc1cccc(C[NH2+][C@@H](c2ccncc2)c2ccc(F)cc2)c1 ZINC000171546591 337088045 /nfs/dbraw/zinc/08/80/45/337088045.db2.gz KBDXKSUFXVUCTI-HXUWFJFHSA-N 1 1 317.367 3.972 20 30 DHEDMO CC(C)C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CC1 ZINC000174816844 337143720 /nfs/dbraw/zinc/14/37/20/337143720.db2.gz ITMSNEGGVDHEJF-UHFFFAOYSA-N 1 1 323.440 3.858 20 30 DHEDMO C=CCOc1cccc(C[NH2+][C@@H](COC)c2ccc(C)o2)c1 ZINC000177565302 337156346 /nfs/dbraw/zinc/15/63/46/337156346.db2.gz RQGRRKRVQUSLLC-KRWDZBQOSA-N 1 1 301.386 3.630 20 30 DHEDMO C=CCCCC(=O)NC1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000177584444 337156448 /nfs/dbraw/zinc/15/64/48/337156448.db2.gz XEPWDTMAGKRYNW-XEWABKELSA-N 1 1 314.473 3.616 20 30 DHEDMO C=CCCCC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000177967725 337159415 /nfs/dbraw/zinc/15/94/15/337159415.db2.gz MGMNHAQTJYFNAB-KRWDZBQOSA-N 1 1 306.494 3.846 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2cccn2C)cc1 ZINC000179706055 337169033 /nfs/dbraw/zinc/16/90/33/337169033.db2.gz KWVMUEWWDRVWFV-HNAYVOBHSA-N 1 1 309.413 3.653 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000181272222 337180763 /nfs/dbraw/zinc/18/07/63/337180763.db2.gz TZHYJSQXQHJLJK-UONOGXRCSA-N 1 1 300.402 3.506 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000184083262 337196022 /nfs/dbraw/zinc/19/60/22/337196022.db2.gz NGPCJBDUVMLFPL-HNNXBMFYSA-N 1 1 316.836 3.924 20 30 DHEDMO CC[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccs1 ZINC000184058814 337196931 /nfs/dbraw/zinc/19/69/31/337196931.db2.gz QWWVLGAULFJVOS-AWEZNQCLSA-N 1 1 324.409 3.911 20 30 DHEDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000185485775 337205694 /nfs/dbraw/zinc/20/56/94/337205694.db2.gz WRSLEFXWAFLNKN-ZDUSSCGKSA-N 1 1 315.417 3.642 20 30 DHEDMO C=CCC1(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCC1 ZINC000190107458 337285146 /nfs/dbraw/zinc/28/51/46/337285146.db2.gz PQXMCXXQOWZWGA-JKSUJKDBSA-N 1 1 304.478 3.502 20 30 DHEDMO C=CCC1(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCC1 ZINC000191797765 337300159 /nfs/dbraw/zinc/30/01/59/337300159.db2.gz NRPFQBOTFJFAKS-ROUUACIJSA-N 1 1 318.505 3.846 20 30 DHEDMO N#CCCC1CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000583753646 337329852 /nfs/dbraw/zinc/32/98/52/337329852.db2.gz ANQFJVCQFMNKNP-UHFFFAOYSA-N 1 1 323.234 3.670 20 30 DHEDMO CC[N@@H+](Cc1cn(C)nc1-c1cc2ccccc2o1)C[C@@H](C)C#N ZINC000120509767 337396003 /nfs/dbraw/zinc/39/60/03/337396003.db2.gz AGNOQKPYENZHOE-AWEZNQCLSA-N 1 1 322.412 3.815 20 30 DHEDMO CC[N@H+](Cc1cn(C)nc1-c1cc2ccccc2o1)C[C@@H](C)C#N ZINC000120509767 337396004 /nfs/dbraw/zinc/39/60/04/337396004.db2.gz AGNOQKPYENZHOE-AWEZNQCLSA-N 1 1 322.412 3.815 20 30 DHEDMO C=CCOc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422904549 337690597 /nfs/dbraw/zinc/69/05/97/337690597.db2.gz GXZKXVPRTMUQPK-CEXWTWQISA-N 1 1 314.473 3.652 20 30 DHEDMO C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1ccc2c(c1)OCO2 ZINC000426410357 338031049 /nfs/dbraw/zinc/03/10/49/338031049.db2.gz LMTGWGIJMQUSIN-UHFFFAOYSA-N 1 1 313.784 3.552 20 30 DHEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccc2c(c1)OCO2 ZINC000426410357 338031050 /nfs/dbraw/zinc/03/10/50/338031050.db2.gz LMTGWGIJMQUSIN-UHFFFAOYSA-N 1 1 313.784 3.552 20 30 DHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000426458365 338032784 /nfs/dbraw/zinc/03/27/84/338032784.db2.gz JHCJFHHASODFPF-ZBFHGGJFSA-N 1 1 309.331 3.811 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000428399954 338050129 /nfs/dbraw/zinc/05/01/29/338050129.db2.gz IMIZWIPKMZRAHV-CYBMUJFWSA-N 1 1 301.390 3.533 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000428399954 338050130 /nfs/dbraw/zinc/05/01/30/338050130.db2.gz IMIZWIPKMZRAHV-CYBMUJFWSA-N 1 1 301.390 3.533 20 30 DHEDMO CC#CCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428778970 338060955 /nfs/dbraw/zinc/06/09/55/338060955.db2.gz DHDUZESZMHEXNO-CJNGLKHVSA-N 1 1 311.347 3.881 20 30 DHEDMO CC#CCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000428778970 338060956 /nfs/dbraw/zinc/06/09/56/338060956.db2.gz DHDUZESZMHEXNO-CJNGLKHVSA-N 1 1 311.347 3.881 20 30 DHEDMO Cc1cc(C)c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000428784520 338060983 /nfs/dbraw/zinc/06/09/83/338060983.db2.gz TUFJMPNYLMPZIW-SFHVURJKSA-N 1 1 321.424 3.532 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000428853345 338062614 /nfs/dbraw/zinc/06/26/14/338062614.db2.gz YLDXBVHJBUTZEV-KRWDZBQOSA-N 1 1 300.446 3.659 20 30 DHEDMO C=C(C)CN1CCC([NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000428877889 338064238 /nfs/dbraw/zinc/06/42/38/338064238.db2.gz XRFQBZOPIGGVIL-UHFFFAOYSA-N 1 1 319.449 3.566 20 30 DHEDMO C[C@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000429586166 338085244 /nfs/dbraw/zinc/08/52/44/338085244.db2.gz AUDHXARFWBSXRW-SWLSCSKDSA-N 1 1 319.836 3.661 20 30 DHEDMO C=CCC(C)(C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000429805609 338090390 /nfs/dbraw/zinc/09/03/90/338090390.db2.gz FQWUKSMNNCGATG-UHFFFAOYSA-N 1 1 306.494 3.703 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000430284364 338104373 /nfs/dbraw/zinc/10/43/73/338104373.db2.gz NNKVTHYQNFAZKR-GOEBONIOSA-N 1 1 318.486 3.549 20 30 DHEDMO C=C(C)CNC(=O)NCc1cccc(C[N@H+](CC)CCCC)c1 ZINC000430349265 338105517 /nfs/dbraw/zinc/10/55/17/338105517.db2.gz DAVJFJHTWRVCAI-UHFFFAOYSA-N 1 1 317.477 3.684 20 30 DHEDMO COc1ccc(C[N@@H+]2CC(C)=C[C@H](C)C2)cc1OCCCC#N ZINC000430866582 338117523 /nfs/dbraw/zinc/11/75/23/338117523.db2.gz HGKPDEUOOAQFOJ-HNNXBMFYSA-N 1 1 314.429 3.776 20 30 DHEDMO CC1=C[C@@H](C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000430884042 338118019 /nfs/dbraw/zinc/11/80/19/338118019.db2.gz ULFFKRXFVIRQHP-MRXNPFEDSA-N 1 1 320.440 3.862 20 30 DHEDMO N#CCCC[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccccc1 ZINC000433019342 338176656 /nfs/dbraw/zinc/17/66/56/338176656.db2.gz NCECTOVUSKUUBF-KRWDZBQOSA-N 1 1 323.444 3.529 20 30 DHEDMO N#CCCC[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1ccccc1 ZINC000433024202 338176942 /nfs/dbraw/zinc/17/69/42/338176942.db2.gz VYZAHCBVPPHMFB-MRXNPFEDSA-N 1 1 322.368 3.854 20 30 DHEDMO C=C(C)C[N@H+](CCC1CCOCC1)Cc1cnn(C(C)C)c1 ZINC000433199508 338185597 /nfs/dbraw/zinc/18/55/97/338185597.db2.gz LUUNPMSXZSWEKX-UHFFFAOYSA-N 1 1 305.466 3.659 20 30 DHEDMO C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)CC(C)(C)C#N ZINC000433283539 338189278 /nfs/dbraw/zinc/18/92/78/338189278.db2.gz CRHIOAZKJOJYDH-UHFFFAOYSA-N 1 1 321.424 3.920 20 30 DHEDMO C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)CC(C)(C)C#N ZINC000433283539 338189279 /nfs/dbraw/zinc/18/92/79/338189279.db2.gz CRHIOAZKJOJYDH-UHFFFAOYSA-N 1 1 321.424 3.920 20 30 DHEDMO Cc1cccc(C)c1NC(=O)CCC[N@H+](C)CC(C)(C)C#N ZINC000433313234 338191505 /nfs/dbraw/zinc/19/15/05/338191505.db2.gz PLKLFDSZEHWQOR-UHFFFAOYSA-N 1 1 301.434 3.504 20 30 DHEDMO C[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000437571057 338313784 /nfs/dbraw/zinc/31/37/84/338313784.db2.gz RWOAXOBKRMSKEE-NRFANRHFSA-N 1 1 322.427 3.778 20 30 DHEDMO CC(C)[C@@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000438493956 338346091 /nfs/dbraw/zinc/34/60/91/338346091.db2.gz WNIDRQBYVWHITH-MRXNPFEDSA-N 1 1 323.440 3.716 20 30 DHEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439435284 338369252 /nfs/dbraw/zinc/36/92/52/338369252.db2.gz GJFPAHRUIJVCRX-ZDUSSCGKSA-N 1 1 314.816 3.980 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c(Cl)c1 ZINC000439446707 338369811 /nfs/dbraw/zinc/36/98/11/338369811.db2.gz FGRPZZPCNRULMU-QGZVFWFLSA-N 1 1 311.816 3.898 20 30 DHEDMO CCc1ccc([C@@H](CO)[NH2+]Cc2ccc(C#N)cc2Cl)cc1 ZINC000439455733 338370117 /nfs/dbraw/zinc/37/01/17/338370117.db2.gz VWQGOAWPZFJAGW-GOSISDBHSA-N 1 1 314.816 3.597 20 30 DHEDMO CSCCC[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000439491287 338371689 /nfs/dbraw/zinc/37/16/89/338371689.db2.gz IUNRTZPNTAWNRE-UHFFFAOYSA-N 1 1 317.376 3.622 20 30 DHEDMO C=CCC[C@@H]([NH2+]C1CCC(OC2CCCC2)CC1)C(=O)OCC ZINC000449653385 338644376 /nfs/dbraw/zinc/64/43/76/338644376.db2.gz CBYWOCHJUUAUQJ-VMWRSERWSA-N 1 1 323.477 3.744 20 30 DHEDMO N#CCCCOc1cccc(C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000449701020 338647053 /nfs/dbraw/zinc/64/70/53/338647053.db2.gz VKCNIYDMPYPPEK-UHFFFAOYSA-N 1 1 311.385 3.524 20 30 DHEDMO C=CCC(C)(C)CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458627922 339002076 /nfs/dbraw/zinc/00/20/76/339002076.db2.gz HEGQHFCFDITPHV-HZPDHXFCSA-N 1 1 321.509 3.541 20 30 DHEDMO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000459703594 339043590 /nfs/dbraw/zinc/04/35/90/339043590.db2.gz GEXVFEVIHOBGKC-HNNXBMFYSA-N 1 1 324.371 3.551 20 30 DHEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000459703594 339043591 /nfs/dbraw/zinc/04/35/91/339043591.db2.gz GEXVFEVIHOBGKC-HNNXBMFYSA-N 1 1 324.371 3.551 20 30 DHEDMO Cc1noc(C)c1CC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000166215574 339053111 /nfs/dbraw/zinc/05/31/11/339053111.db2.gz BZKDXCSVNNMVNI-RBUKOAKNSA-N 1 1 309.413 3.606 20 30 DHEDMO Cc1noc(C)c1CC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000166215574 339053112 /nfs/dbraw/zinc/05/31/12/339053112.db2.gz BZKDXCSVNNMVNI-RBUKOAKNSA-N 1 1 309.413 3.606 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CC#Cc2ccccc2)C1 ZINC000463217322 339110046 /nfs/dbraw/zinc/11/00/46/339110046.db2.gz CCHMXECXSLEDAI-HZEGPAAWSA-N 1 1 311.469 3.690 20 30 DHEDMO C=C(C)CN1CCC([NH2+]Cc2ccccc2OCCCC)CC1 ZINC000463748618 339125457 /nfs/dbraw/zinc/12/54/57/339125457.db2.gz WOTBWYQXGFOZBD-UHFFFAOYSA-N 1 1 316.489 3.996 20 30 DHEDMO CC[C@@]1(C)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000464771777 339152254 /nfs/dbraw/zinc/15/22/54/339152254.db2.gz GXOCMIBVTSQXQM-KRWDZBQOSA-N 1 1 319.836 3.662 20 30 DHEDMO CC[C@@]1(C)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000464771777 339152255 /nfs/dbraw/zinc/15/22/55/339152255.db2.gz GXOCMIBVTSQXQM-KRWDZBQOSA-N 1 1 319.836 3.662 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnn(C)c1C(F)(F)F ZINC000464864851 339159004 /nfs/dbraw/zinc/15/90/04/339159004.db2.gz BBEQZSWHIPJIQG-UHFFFAOYSA-N 1 1 323.362 3.670 20 30 DHEDMO C=CC[C@H](CC)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000466391559 339202126 /nfs/dbraw/zinc/20/21/26/339202126.db2.gz HHGHWHLWFCIRTH-BZSNNMDCSA-N 1 1 321.509 3.637 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000466440836 339205228 /nfs/dbraw/zinc/20/52/28/339205228.db2.gz JGLLDZGIXDKGEY-MJGOQNOKSA-N 1 1 314.473 3.712 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000466663238 339212344 /nfs/dbraw/zinc/21/23/44/339212344.db2.gz CWSKSROXVAQJEK-SJLPKXTDSA-N 1 1 306.494 3.750 20 30 DHEDMO C=CCC[N@@H+](C)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000467289162 339229967 /nfs/dbraw/zinc/22/99/67/339229967.db2.gz MBOLEOHHIDBPCQ-UHFFFAOYSA-N 1 1 311.216 3.582 20 30 DHEDMO C=CCC[N@H+](C)Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000467289162 339229968 /nfs/dbraw/zinc/22/99/68/339229968.db2.gz MBOLEOHHIDBPCQ-UHFFFAOYSA-N 1 1 311.216 3.582 20 30 DHEDMO C=C[C@](C)(CC)C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000467519125 339240964 /nfs/dbraw/zinc/24/09/64/339240964.db2.gz PRIRUWFAPRGBIL-UYAOXDASSA-N 1 1 314.473 3.542 20 30 DHEDMO C=CC[C@H](CC)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000467696348 339244543 /nfs/dbraw/zinc/24/45/43/339244543.db2.gz UNBAKEAUAITFRR-ROUUACIJSA-N 1 1 300.446 3.512 20 30 DHEDMO COc1ccc(Cl)cc1C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000468272316 339258434 /nfs/dbraw/zinc/25/84/34/339258434.db2.gz VENNWUJCELQVMD-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO COc1ccc(Cl)cc1C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000468272316 339258435 /nfs/dbraw/zinc/25/84/35/339258435.db2.gz VENNWUJCELQVMD-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO C=C(C)CN(CC)C(=O)COc1cc(C)[nH+]c2cccc(C)c21 ZINC000468337868 339260066 /nfs/dbraw/zinc/26/00/66/339260066.db2.gz UPAZQXKWPXUROD-UHFFFAOYSA-N 1 1 312.413 3.655 20 30 DHEDMO C=CC[C@H](C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC000468488102 339264046 /nfs/dbraw/zinc/26/40/46/339264046.db2.gz PJDMBNOHTDXOQC-ZWKOTPCHSA-N 1 1 314.473 3.583 20 30 DHEDMO C=CC[C@H](C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC000468488101 339264056 /nfs/dbraw/zinc/26/40/56/339264056.db2.gz PJDMBNOHTDXOQC-ROUUACIJSA-N 1 1 314.473 3.583 20 30 DHEDMO COCC[N@H+](Cc1cc(F)ccc1C#N)[C@@H](C)c1ccccc1 ZINC000469026369 339278044 /nfs/dbraw/zinc/27/80/44/339278044.db2.gz PFWGDEZNXBQPIL-HNNXBMFYSA-N 1 1 312.388 3.907 20 30 DHEDMO COCC[N@@H+](Cc1cc(F)ccc1C#N)[C@@H](C)c1ccccc1 ZINC000469026369 339278045 /nfs/dbraw/zinc/27/80/45/339278045.db2.gz PFWGDEZNXBQPIL-HNNXBMFYSA-N 1 1 312.388 3.907 20 30 DHEDMO C=C(C)C[N@@H+](CC(=O)Nc1ccc(OC)cc1)Cc1ccccc1 ZINC000470911828 339331064 /nfs/dbraw/zinc/33/10/64/339331064.db2.gz YWSRFLVQKULURD-UHFFFAOYSA-N 1 1 324.424 3.712 20 30 DHEDMO C=C(C)C[N@H+](CC(=O)Nc1ccc(OC)cc1)Cc1ccccc1 ZINC000470911828 339331065 /nfs/dbraw/zinc/33/10/65/339331065.db2.gz YWSRFLVQKULURD-UHFFFAOYSA-N 1 1 324.424 3.712 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC)c1 ZINC000470916176 339331197 /nfs/dbraw/zinc/33/11/97/339331197.db2.gz HGXLYRIRWDZUOP-UHFFFAOYSA-N 1 1 308.425 3.625 20 30 DHEDMO C=C(C)C[N@@H+](CC(=O)N(C(C)C)C(C)C)Cc1ccccc1 ZINC000470921156 339331330 /nfs/dbraw/zinc/33/13/30/339331330.db2.gz YMXXQYDOTBOKMI-UHFFFAOYSA-N 1 1 302.462 3.710 20 30 DHEDMO C=C(C)C[N@H+](CC(=O)N(C(C)C)C(C)C)Cc1ccccc1 ZINC000470921156 339331331 /nfs/dbraw/zinc/33/13/31/339331331.db2.gz YMXXQYDOTBOKMI-UHFFFAOYSA-N 1 1 302.462 3.710 20 30 DHEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000470948606 339332043 /nfs/dbraw/zinc/33/20/43/339332043.db2.gz PVXMUQOKQDOLNC-BXUZGUMPSA-N 1 1 301.739 3.964 20 30 DHEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000470948606 339332044 /nfs/dbraw/zinc/33/20/44/339332044.db2.gz PVXMUQOKQDOLNC-BXUZGUMPSA-N 1 1 301.739 3.964 20 30 DHEDMO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CCCC(C)(C)C#N ZINC000472238142 339367130 /nfs/dbraw/zinc/36/71/30/339367130.db2.gz FZTZDFUFWAHPIZ-DLBZAZTESA-N 1 1 320.477 3.760 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000472580931 339374123 /nfs/dbraw/zinc/37/41/23/339374123.db2.gz LYWYXOKASHCLSX-CVEARBPZSA-N 1 1 311.878 3.757 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@]2(CC)CO)cc1Cl ZINC000472614506 339375218 /nfs/dbraw/zinc/37/52/18/339375218.db2.gz RZRMBYNISONSOM-KRWDZBQOSA-N 1 1 309.837 3.642 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000472766889 339377148 /nfs/dbraw/zinc/37/71/48/339377148.db2.gz TZNZQHGVPYYZSV-YJBOKZPZSA-N 1 1 303.446 3.623 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1CC=C(c2c[nH]c3cc(C)ccc32)CC1 ZINC000472773934 339377316 /nfs/dbraw/zinc/37/73/16/339377316.db2.gz RHUPIHPNLJQMOK-QGZVFWFLSA-N 1 1 310.441 3.893 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000472774378 339377333 /nfs/dbraw/zinc/37/73/33/339377333.db2.gz XPOVVEBNFOJELU-FPOVZHCZSA-N 1 1 307.437 3.961 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000499065074 340029044 /nfs/dbraw/zinc/02/90/44/340029044.db2.gz OZPYLGOMCLHDKS-JKSUJKDBSA-N 1 1 320.502 3.916 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000499065074 340029045 /nfs/dbraw/zinc/02/90/45/340029045.db2.gz OZPYLGOMCLHDKS-JKSUJKDBSA-N 1 1 320.502 3.916 20 30 DHEDMO N#CC1(C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000501532971 340082862 /nfs/dbraw/zinc/08/28/62/340082862.db2.gz PMUXUPZVHCQAEY-LBPRGKRZSA-N 1 1 311.212 3.750 20 30 DHEDMO N#CC1(C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000501532971 340082863 /nfs/dbraw/zinc/08/28/63/340082863.db2.gz PMUXUPZVHCQAEY-LBPRGKRZSA-N 1 1 311.212 3.750 20 30 DHEDMO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)C[N@H+]1CCCC(C)(C)C#N ZINC000501778893 340088436 /nfs/dbraw/zinc/08/84/36/340088436.db2.gz VYVIBORJNYUOBF-MSOLQXFVSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CCCC(C)(C)C#N ZINC000501778893 340088437 /nfs/dbraw/zinc/08/84/37/340088437.db2.gz VYVIBORJNYUOBF-MSOLQXFVSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCCC(C)(C)C#N ZINC000501778893 340088438 /nfs/dbraw/zinc/08/84/38/340088438.db2.gz VYVIBORJNYUOBF-MSOLQXFVSA-N 1 1 313.489 3.911 20 30 DHEDMO CCc1cc(OC)ccc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000503853792 340135181 /nfs/dbraw/zinc/13/51/81/340135181.db2.gz FUWKLFSROJBSLD-UHFFFAOYSA-N 1 1 312.388 3.900 20 30 DHEDMO CCc1cc(OC)ccc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000503853792 340135182 /nfs/dbraw/zinc/13/51/82/340135182.db2.gz FUWKLFSROJBSLD-UHFFFAOYSA-N 1 1 312.388 3.900 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000505016791 340158904 /nfs/dbraw/zinc/15/89/04/340158904.db2.gz MATWTEMZPSLCBB-UHFFFAOYSA-N 1 1 315.461 3.801 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000505056986 340160232 /nfs/dbraw/zinc/16/02/32/340160232.db2.gz FNNQSMASTOBSAA-HNNXBMFYSA-N 1 1 313.445 3.577 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000506326561 340192219 /nfs/dbraw/zinc/19/22/19/340192219.db2.gz OVQMLHHOKLTEIX-HXUWFJFHSA-N 1 1 309.409 3.825 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000506326561 340192220 /nfs/dbraw/zinc/19/22/20/340192220.db2.gz OVQMLHHOKLTEIX-HXUWFJFHSA-N 1 1 309.409 3.825 20 30 DHEDMO N#Cc1ccc(N2CC[NH+](C/C=C\c3ccccc3)CC2)c(F)c1 ZINC000506867136 340203061 /nfs/dbraw/zinc/20/30/61/340203061.db2.gz HZPQYGRFFXBTGS-DAXSKMNVSA-N 1 1 321.399 3.533 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cccc(F)c2C#N)C1 ZINC000507022539 340205581 /nfs/dbraw/zinc/20/55/81/340205581.db2.gz OXQGNAWHQUCCHR-HOCLYGCPSA-N 1 1 309.388 3.945 20 30 DHEDMO C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)Cc1cccc(C#N)c1 ZINC000507203079 340212947 /nfs/dbraw/zinc/21/29/47/340212947.db2.gz LHGWHZVTIBYVPR-UHFFFAOYSA-N 1 1 306.409 3.904 20 30 DHEDMO CC[N@H+](CCOc1ccccc1C#N)Cc1c(F)cccc1F ZINC000507264258 340216053 /nfs/dbraw/zinc/21/60/53/340216053.db2.gz QUQDVUMMVRFPQB-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO CC[N@@H+](CCOc1ccccc1C#N)Cc1c(F)cccc1F ZINC000507264258 340216054 /nfs/dbraw/zinc/21/60/54/340216054.db2.gz QUQDVUMMVRFPQB-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO CC(C)C[N@@H+](Cc1cnn2ccccc12)Cc1ccc(C#N)cc1 ZINC000507729723 340229705 /nfs/dbraw/zinc/22/97/05/340229705.db2.gz BOJIJYDFWUDFMH-UHFFFAOYSA-N 1 1 318.424 3.864 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000508529488 340245848 /nfs/dbraw/zinc/24/58/48/340245848.db2.gz TWBAEHCHKBMFAU-LEWJYISDSA-N 1 1 320.436 3.810 20 30 DHEDMO C=C(C)CC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000509261025 340264775 /nfs/dbraw/zinc/26/47/75/340264775.db2.gz ZWMKSLRJEMDKAM-HUUCEWRRSA-N 1 1 300.229 3.850 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000509384169 340267914 /nfs/dbraw/zinc/26/79/14/340267914.db2.gz GHXVJPXNKZVDPD-OAHLLOKOSA-N 1 1 319.424 3.625 20 30 DHEDMO C=CC[N@H+](Cc1cnc2c(C)cccn12)Cc1ccc(OC)cc1 ZINC000510642594 340304727 /nfs/dbraw/zinc/30/47/27/340304727.db2.gz BJBOQXYJCXCVCR-UHFFFAOYSA-N 1 1 321.424 3.840 20 30 DHEDMO C=CC[N@@H+](Cc1cnc2c(C)cccn12)Cc1ccc(OC)cc1 ZINC000510642594 340304728 /nfs/dbraw/zinc/30/47/28/340304728.db2.gz BJBOQXYJCXCVCR-UHFFFAOYSA-N 1 1 321.424 3.840 20 30 DHEDMO C=CC[N@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000510763552 340310284 /nfs/dbraw/zinc/31/02/84/340310284.db2.gz NHJCINPVNOKRFY-OAHLLOKOSA-N 1 1 303.450 3.948 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)s1 ZINC000511471479 340327785 /nfs/dbraw/zinc/32/77/85/340327785.db2.gz JATKBMYEAHOEAO-OAHLLOKOSA-N 1 1 300.402 3.966 20 30 DHEDMO C[C@@H]1C[C@H](CCNc2ccc(C#N)nc2)C[N@H+]1Cc1ccccc1 ZINC000511602751 340332022 /nfs/dbraw/zinc/33/20/22/340332022.db2.gz GFRTVROZXYFYSB-AEFFLSMTSA-N 1 1 320.440 3.666 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1N(C)C ZINC000512073896 340347603 /nfs/dbraw/zinc/34/76/03/340347603.db2.gz SBNOEWBNKKIRIR-UHFFFAOYSA-N 1 1 305.425 3.812 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000512170996 340350740 /nfs/dbraw/zinc/35/07/40/340350740.db2.gz VHKAYKARLDVWHF-PXNSSMCTSA-N 1 1 311.473 3.645 20 30 DHEDMO C=C(C)C[N@@H+](CCCCC1CCOCC1)Cc1ccc(CO)o1 ZINC000512204764 340352284 /nfs/dbraw/zinc/35/22/84/340352284.db2.gz VLJIAHLCANHVAY-UHFFFAOYSA-N 1 1 321.461 3.747 20 30 DHEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000512448969 340362322 /nfs/dbraw/zinc/36/23/22/340362322.db2.gz AECLCULMHLARBN-ZDUSSCGKSA-N 1 1 316.351 3.908 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000512600155 340368455 /nfs/dbraw/zinc/36/84/55/340368455.db2.gz PYGDXRRLIZKJOR-IBGZPJMESA-N 1 1 308.425 3.938 20 30 DHEDMO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512647250 340370752 /nfs/dbraw/zinc/37/07/52/340370752.db2.gz HDFLGIKXNIUYJT-CVEARBPZSA-N 1 1 317.452 3.860 20 30 DHEDMO C[C@H]([NH2+]CC1(N(C)C)CCCCC1)c1ccc(C#N)cc1F ZINC000512655016 340371300 /nfs/dbraw/zinc/37/13/00/340371300.db2.gz QVQSRCVRGZGZGW-AWEZNQCLSA-N 1 1 303.425 3.612 20 30 DHEDMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000174834921 340397099 /nfs/dbraw/zinc/39/70/99/340397099.db2.gz AJWXQLMEOMNUGI-HNNXBMFYSA-N 1 1 323.481 3.696 20 30 DHEDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000513235555 340398809 /nfs/dbraw/zinc/39/88/09/340398809.db2.gz CQLMBGYAQUBXPV-HNAYVOBHSA-N 1 1 319.408 3.580 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000542630602 341015299 /nfs/dbraw/zinc/01/52/99/341015299.db2.gz KBHBFONSBATDJI-UWJYYQICSA-N 1 1 320.436 3.953 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000542630602 341015300 /nfs/dbraw/zinc/01/53/00/341015300.db2.gz KBHBFONSBATDJI-UWJYYQICSA-N 1 1 320.436 3.953 20 30 DHEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(-c3ccccc3)on1)CC2 ZINC000564259419 341020546 /nfs/dbraw/zinc/02/05/46/341020546.db2.gz MYUREMDRGAIOGE-LJQANCHMSA-N 1 1 315.376 3.990 20 30 DHEDMO N#CCC1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000542852924 341023631 /nfs/dbraw/zinc/02/36/31/341023631.db2.gz BWSQQKLQURLWJQ-UHFFFAOYSA-N 1 1 300.299 3.970 20 30 DHEDMO Cc1ccc(-c2nc(C[NH+]3CCC(CC#N)CC3)cs2)o1 ZINC000542881693 341025045 /nfs/dbraw/zinc/02/50/45/341025045.db2.gz UGXAGIXKXOQKPK-UHFFFAOYSA-N 1 1 301.415 3.837 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000543206464 341036638 /nfs/dbraw/zinc/03/66/38/341036638.db2.gz SRVVLBFKLHXXQV-LJQANCHMSA-N 1 1 308.400 3.956 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC(F)F)cc1 ZINC000131168459 341063536 /nfs/dbraw/zinc/06/35/36/341063536.db2.gz QYYZZWLYQIQDPW-UHFFFAOYSA-N 1 1 316.351 3.834 20 30 DHEDMO COCC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(C)o1 ZINC000544473087 341083639 /nfs/dbraw/zinc/08/36/39/341083639.db2.gz HWYQZUCCHKIBFK-QGZVFWFLSA-N 1 1 317.816 3.960 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000131630147 341104245 /nfs/dbraw/zinc/10/42/45/341104245.db2.gz ZMRCHYNLGSGPQB-UHFFFAOYSA-N 1 1 302.262 3.743 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000072953100 341111475 /nfs/dbraw/zinc/11/14/75/341111475.db2.gz VSXHRJODIBBCBH-UHFFFAOYSA-N 1 1 300.324 3.540 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000072953100 341111476 /nfs/dbraw/zinc/11/14/76/341111476.db2.gz VSXHRJODIBBCBH-UHFFFAOYSA-N 1 1 300.324 3.540 20 30 DHEDMO N#Cc1cccc(COc2cccc(C[NH2+]CC3(C#N)CC3)c2)c1 ZINC000564296862 341147288 /nfs/dbraw/zinc/14/72/88/341147288.db2.gz GQXLAQHWZJFDLI-UHFFFAOYSA-N 1 1 317.392 3.531 20 30 DHEDMO CC[N@@H+](Cc1ccccc1C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000133974903 341203553 /nfs/dbraw/zinc/20/35/53/341203553.db2.gz VTEBEGIHSJLVKV-MRXNPFEDSA-N 1 1 321.424 3.716 20 30 DHEDMO CCn1c2ccccc2nc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000077290783 341222480 /nfs/dbraw/zinc/22/24/80/341222480.db2.gz JIIHWVUOOXAZDX-AWEZNQCLSA-N 1 1 304.397 3.779 20 30 DHEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(OC)c(C#N)c2)c1 ZINC000134950138 341227086 /nfs/dbraw/zinc/22/70/86/341227086.db2.gz ACFYCZUIFRQSEP-LJQANCHMSA-N 1 1 322.408 3.913 20 30 DHEDMO C=CC1CC[NH+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CC1 ZINC000135216302 341233395 /nfs/dbraw/zinc/23/33/95/341233395.db2.gz CBCWNPKFWIDPIM-UHFFFAOYSA-N 1 1 323.318 3.552 20 30 DHEDMO C=CC[C@H](C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC000547978554 341241806 /nfs/dbraw/zinc/24/18/06/341241806.db2.gz JSPLZQABRRMPEY-PMACEKPBSA-N 1 1 320.436 3.649 20 30 DHEDMO C=CC[C@H](C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC000547978554 341241807 /nfs/dbraw/zinc/24/18/07/341241807.db2.gz JSPLZQABRRMPEY-PMACEKPBSA-N 1 1 320.436 3.649 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c1 ZINC000079502719 341260177 /nfs/dbraw/zinc/26/01/77/341260177.db2.gz RKKYVZPWMMEYEM-NRFANRHFSA-N 1 1 320.436 3.782 20 30 DHEDMO C=CCOCCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000548751837 341272136 /nfs/dbraw/zinc/27/21/36/341272136.db2.gz BYFTZXNUUCTHCL-SFHVURJKSA-N 1 1 313.445 3.693 20 30 DHEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000081574230 341297311 /nfs/dbraw/zinc/29/73/11/341297311.db2.gz DQOJNZAKIGAMKA-QRWLVFNGSA-N 1 1 319.408 3.580 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)cc1 ZINC000550491503 341317700 /nfs/dbraw/zinc/31/77/00/341317700.db2.gz NMRULTNVFJSEGC-GOSISDBHSA-N 1 1 320.436 3.820 20 30 DHEDMO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cn2ccccc2n1 ZINC000550930924 341327136 /nfs/dbraw/zinc/32/71/36/341327136.db2.gz MSCINUIMBXGSFI-CQSZACIVSA-N 1 1 302.381 3.546 20 30 DHEDMO C=CCC(C)(C)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000551248084 341335570 /nfs/dbraw/zinc/33/55/70/341335570.db2.gz LINNJWWWCKJLDO-QGZVFWFLSA-N 1 1 314.473 3.712 20 30 DHEDMO CC(C)(C)c1cnc([C@@H](C#N)C(=O)c2ccc3c[nH+]cn3c2)s1 ZINC000551483696 341342694 /nfs/dbraw/zinc/34/26/94/341342694.db2.gz UGMLGBOARXSNLK-ZDUSSCGKSA-N 1 1 324.409 3.578 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000564390080 341382857 /nfs/dbraw/zinc/38/28/57/341382857.db2.gz OBAVERSTLKOHIW-MSOLQXFVSA-N 1 1 306.494 3.846 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000564390090 341382902 /nfs/dbraw/zinc/38/29/02/341382902.db2.gz OBAVERSTLKOHIW-ROUUACIJSA-N 1 1 306.494 3.846 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@H](C)c1cccc2ccccc21)C1CC1 ZINC000552492954 341396215 /nfs/dbraw/zinc/39/62/15/341396215.db2.gz OFQURLRQHOYSKD-OAHLLOKOSA-N 1 1 308.425 3.667 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1cccc2ccccc21)C1CC1 ZINC000552492954 341396216 /nfs/dbraw/zinc/39/62/16/341396216.db2.gz OFQURLRQHOYSKD-OAHLLOKOSA-N 1 1 308.425 3.667 20 30 DHEDMO C=CC[NH2+][C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000089118385 341402443 /nfs/dbraw/zinc/40/24/43/341402443.db2.gz DWNMORPXLZBMDM-SFHVURJKSA-N 1 1 301.361 3.708 20 30 DHEDMO COC[C@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(Cl)c1F ZINC000554348380 341450589 /nfs/dbraw/zinc/45/05/89/341450589.db2.gz AIXLCQMBKDGMGP-INIZCTEOSA-N 1 1 318.779 3.828 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000576508688 341849865 /nfs/dbraw/zinc/84/98/65/341849865.db2.gz IHKXXLKZNSVPDD-IUODEOHRSA-N 1 1 303.793 3.587 20 30 DHEDMO CCCn1nc(C)c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000180028574 521667845 /nfs/dbraw/zinc/66/78/45/521667845.db2.gz XHPLIALDEHGKIE-UHFFFAOYSA-N 1 1 322.456 3.946 20 30 DHEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CCN1C ZINC000180221296 525269963 /nfs/dbraw/zinc/26/99/63/525269963.db2.gz CRLWNFHPVLSASE-UZLBHIALSA-N 1 1 319.452 3.798 20 30 DHEDMO C[C@@H]1C[C@@H](NCc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000180221296 525269976 /nfs/dbraw/zinc/26/99/76/525269976.db2.gz CRLWNFHPVLSASE-UZLBHIALSA-N 1 1 319.452 3.798 20 30 DHEDMO C[C@@H]1C[C@@H](NCc2ccc(-c3ccccc3C#N)cc2)CC[N@H+]1C ZINC000180221296 525269987 /nfs/dbraw/zinc/26/99/87/525269987.db2.gz CRLWNFHPVLSASE-UZLBHIALSA-N 1 1 319.452 3.798 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)c1ccc(C#N)cc1 ZINC000338352242 525543203 /nfs/dbraw/zinc/54/32/03/525543203.db2.gz IFAPXPKXVJIZMQ-CQSZACIVSA-N 1 1 320.371 3.734 20 30 DHEDMO C[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)c1cccc(C#N)c1 ZINC000337204634 525627069 /nfs/dbraw/zinc/62/70/69/525627069.db2.gz IBPMIQFJDUDDRC-BZNIZROVSA-N 1 1 318.779 3.735 20 30 DHEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000180285187 526062883 /nfs/dbraw/zinc/06/28/83/526062883.db2.gz FFTNBSZHZWWSBI-QKVFXAPYSA-N 1 1 318.467 3.550 20 30 DHEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000180285187 526062892 /nfs/dbraw/zinc/06/28/92/526062892.db2.gz FFTNBSZHZWWSBI-QKVFXAPYSA-N 1 1 318.467 3.550 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)s1 ZINC000131065431 526614172 /nfs/dbraw/zinc/61/41/72/526614172.db2.gz HKPWELDKEKMDKG-HNNXBMFYSA-N 1 1 310.422 3.857 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)CCC1 ZINC000931177946 1032061137 /nfs/dbraw/zinc/06/11/37/1032061137.db2.gz YDTWBLLIHOGMRE-FQEVSTJZSA-N 1 1 312.457 3.834 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(C#N)ccn1 ZINC000339971487 1013179068 /nfs/dbraw/zinc/17/90/68/1013179068.db2.gz YHBSCRJBFKHEON-MRXNPFEDSA-N 1 1 320.440 3.940 20 30 DHEDMO C=CC[N@H+](CCSc1ccncc1)Cc1ccc(OC)cc1 ZINC001167117095 1013190741 /nfs/dbraw/zinc/19/07/41/1013190741.db2.gz ZRGCREFQEBETJF-UHFFFAOYSA-N 1 1 314.454 3.871 20 30 DHEDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cn2)cc1 ZINC000519060400 1013266794 /nfs/dbraw/zinc/26/67/94/1013266794.db2.gz ILIIMZFVVORKKV-LJQANCHMSA-N 1 1 307.397 3.689 20 30 DHEDMO C=CCCCCCC[N@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001209436139 1013277185 /nfs/dbraw/zinc/27/71/85/1013277185.db2.gz NWRIUAQDQIKKII-RBUKOAKNSA-N 1 1 307.478 3.783 20 30 DHEDMO C=CCCCCCCC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC001209438772 1013281938 /nfs/dbraw/zinc/28/19/38/1013281938.db2.gz VNENXXBHRYFXIE-UHFFFAOYSA-N 1 1 316.371 3.639 20 30 DHEDMO C=CCCCCCCC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC001209438772 1013281945 /nfs/dbraw/zinc/28/19/45/1013281945.db2.gz VNENXXBHRYFXIE-UHFFFAOYSA-N 1 1 316.371 3.639 20 30 DHEDMO C#CC[N@H+](CCOc1cccc(OC)c1)[C@H]1CCc2ccccc21 ZINC001167179119 1013361426 /nfs/dbraw/zinc/36/14/26/1013361426.db2.gz WFBQFAOFIAXJBB-NRFANRHFSA-N 1 1 321.420 3.697 20 30 DHEDMO C[C@@H](C[N@@H+](Cc1csc(C#N)c1)[C@@H](C)CO)c1ccccc1 ZINC000894509520 1013399727 /nfs/dbraw/zinc/39/97/27/1013399727.db2.gz DMVPDOSIBDZESK-GJZGRUSLSA-N 1 1 314.454 3.606 20 30 DHEDMO CC(C)[N@H+](Cc1ccccc1F)C[C@@H](O)c1cccc(C#N)c1 ZINC001167248398 1013443885 /nfs/dbraw/zinc/44/38/85/1013443885.db2.gz PSIDVNPQOIANEY-LJQANCHMSA-N 1 1 312.388 3.641 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000353668057 1013512854 /nfs/dbraw/zinc/51/28/54/1013512854.db2.gz FHVWSVJIMADECK-UHFFFAOYSA-N 1 1 301.430 3.644 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2N=Cc2ccccc2O)C[C@H](C)O1 ZINC000255059895 1013595819 /nfs/dbraw/zinc/59/58/19/1013595819.db2.gz PCOKBDNQYZDBJK-IYBDPMFKSA-N 1 1 324.424 3.752 20 30 DHEDMO N#Cc1c(C(F)F)cccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000519706887 1013595717 /nfs/dbraw/zinc/59/57/17/1013595717.db2.gz MVZIPMBAPJJHAD-LLVKDONJSA-N 1 1 302.328 3.603 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccccc2N=Cc2ccccc2O)C[C@H](C)O1 ZINC000255059895 1013595824 /nfs/dbraw/zinc/59/58/24/1013595824.db2.gz PCOKBDNQYZDBJK-IYBDPMFKSA-N 1 1 324.424 3.752 20 30 DHEDMO C=CC[N@H+](CCOc1ccc(OC)cc1)Cc1cccc(C#N)c1 ZINC000519869814 1013619346 /nfs/dbraw/zinc/61/93/46/1013619346.db2.gz HBPKNRGKKGMXNG-UHFFFAOYSA-N 1 1 322.408 3.634 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cccc(C#N)c2)cc1 ZINC000255068173 1013621801 /nfs/dbraw/zinc/62/18/01/1013621801.db2.gz ADLILPXNFFAKAG-YHYXMXQVSA-N 1 1 313.360 3.949 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000120901824 1013708358 /nfs/dbraw/zinc/70/83/58/1013708358.db2.gz SBNWOPBYNNTREL-LBPRGKRZSA-N 1 1 315.442 3.833 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000120901824 1013708367 /nfs/dbraw/zinc/70/83/67/1013708367.db2.gz SBNWOPBYNNTREL-LBPRGKRZSA-N 1 1 315.442 3.833 20 30 DHEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000328788157 1013799317 /nfs/dbraw/zinc/79/93/17/1013799317.db2.gz PGGDGNYSKUFWJU-CABCVRRESA-N 1 1 323.481 3.600 20 30 DHEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]2CCCCNC2=O)C1 ZINC000328788158 1013800140 /nfs/dbraw/zinc/80/01/40/1013800140.db2.gz PGGDGNYSKUFWJU-HUUCEWRRSA-N 1 1 323.481 3.600 20 30 DHEDMO CC(C)[N@H+](Cc1cccs1)C[C@H](O)c1ccc(C#N)cc1 ZINC000049028817 1013802858 /nfs/dbraw/zinc/80/28/58/1013802858.db2.gz FLHKHZFCJHDSAE-KRWDZBQOSA-N 1 1 300.427 3.564 20 30 DHEDMO CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCCC#N ZINC000361736349 1032074975 /nfs/dbraw/zinc/07/49/75/1032074975.db2.gz YXGKMPYQZCZGDN-MQVJKMGUSA-N 1 1 321.465 3.590 20 30 DHEDMO CO[C@H](C)c1cccc(NC(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000330446297 1013818968 /nfs/dbraw/zinc/81/89/68/1013818968.db2.gz HNCGRJNLIRWYNV-HUUCEWRRSA-N 1 1 319.449 3.594 20 30 DHEDMO C=CCCCCCNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000579974858 1013826763 /nfs/dbraw/zinc/82/67/63/1013826763.db2.gz AULGTSWSKITITJ-DLBZAZTESA-N 1 1 321.509 3.685 20 30 DHEDMO C#CCCOc1ccc(C[NH2+]Cc2nc(C(C)C)cs2)cc1 ZINC000125638247 1013835575 /nfs/dbraw/zinc/83/55/75/1013835575.db2.gz GCMIQFAGTKNILR-UHFFFAOYSA-N 1 1 314.454 3.958 20 30 DHEDMO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000118846902 1013837623 /nfs/dbraw/zinc/83/76/23/1013837623.db2.gz BRARIEYYJUIRCC-FQEVSTJZSA-N 1 1 308.425 3.577 20 30 DHEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H](C)C[C@H](C)CC)C1 ZINC000330995299 1013851997 /nfs/dbraw/zinc/85/19/97/1013851997.db2.gz WTGYSJKRFZYEPM-BZUAXINKSA-N 1 1 320.481 3.821 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000052162192 1013958523 /nfs/dbraw/zinc/95/85/23/1013958523.db2.gz OXHHCLUAKMJSTD-CQSZACIVSA-N 1 1 306.837 3.533 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000052162192 1013958531 /nfs/dbraw/zinc/95/85/31/1013958531.db2.gz OXHHCLUAKMJSTD-CQSZACIVSA-N 1 1 306.837 3.533 20 30 DHEDMO N#Cc1csc(CNCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000177683364 1013977294 /nfs/dbraw/zinc/97/72/94/1013977294.db2.gz NTLLFVAMCOVMTQ-UHFFFAOYSA-N 1 1 311.454 3.505 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000580087659 1014020263 /nfs/dbraw/zinc/02/02/63/1014020263.db2.gz TVQISTYUASFUSB-NHCUHLMSSA-N 1 1 320.436 3.810 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000580080007 1014020327 /nfs/dbraw/zinc/02/03/27/1014020327.db2.gz LXFGAVJAVXPWRZ-GOSISDBHSA-N 1 1 321.380 3.976 20 30 DHEDMO C[C@H](CCNCc1cc(C#N)cs1)[N@@H+](C)Cc1ccccc1 ZINC000177708726 1014021405 /nfs/dbraw/zinc/02/14/05/1014021405.db2.gz GWDQWIUWVZGTCI-OAHLLOKOSA-N 1 1 313.470 3.620 20 30 DHEDMO COc1ccc(OC)c(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000536638024 1014105693 /nfs/dbraw/zinc/10/56/93/1014105693.db2.gz NBDXNUVLFKGKLP-UHFFFAOYSA-N 1 1 324.424 3.986 20 30 DHEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H]1CCN(C2CCCCC2)C1=O ZINC001167392536 1014113454 /nfs/dbraw/zinc/11/34/54/1014113454.db2.gz UMRUYRXZFHTHIY-LJQANCHMSA-N 1 1 318.505 3.988 20 30 DHEDMO COC(=O)[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)[C@H]2CCC[C@H]21 ZINC000931262762 1032084910 /nfs/dbraw/zinc/08/49/10/1032084910.db2.gz IIBSMJXIEAHNDB-BBWFWOEESA-N 1 1 318.461 3.514 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cccnc2C#N)C1 ZINC000580519270 1014192265 /nfs/dbraw/zinc/19/22/65/1014192265.db2.gz GDOXSTOZTQLYDM-INIZCTEOSA-N 1 1 320.440 3.797 20 30 DHEDMO CCCCCCCCCC(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834601029 1014206527 /nfs/dbraw/zinc/20/65/27/1014206527.db2.gz XXRZGEWMMIPDSV-IRXDYDNUSA-N 1 1 312.473 3.772 20 30 DHEDMO C=CCOCC[NH2+][C@@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000926113740 1014239879 /nfs/dbraw/zinc/23/98/79/1014239879.db2.gz ABQQUIZDSDCNML-VIFPVBQESA-N 1 1 308.731 3.607 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]2CCCC[C@@H]21 ZINC000248420345 1014336429 /nfs/dbraw/zinc/33/64/29/1014336429.db2.gz LSRKWEHFTWTSTQ-KBRIMQKVSA-N 1 1 322.412 3.619 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC2(CCC2)O1 ZINC000580833676 1014392903 /nfs/dbraw/zinc/39/29/03/1014392903.db2.gz DDFRBWHIJDQTOP-MRXNPFEDSA-N 1 1 314.429 3.513 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000568951261 1014437751 /nfs/dbraw/zinc/43/77/51/1014437751.db2.gz OHJYUKULRBLPTE-CYBMUJFWSA-N 1 1 315.383 3.975 20 30 DHEDMO C[N@@H+]1CC[C@H](NCC#Cc2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000581026318 1014517555 /nfs/dbraw/zinc/51/75/55/1014517555.db2.gz XVONKYGMAYADQS-VQTJNVASSA-N 1 1 324.855 3.727 20 30 DHEDMO C[N@H+]1CC[C@H](NCC#Cc2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000581026318 1014517564 /nfs/dbraw/zinc/51/75/64/1014517564.db2.gz XVONKYGMAYADQS-VQTJNVASSA-N 1 1 324.855 3.727 20 30 DHEDMO N#CC1(CN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCC1 ZINC000895133848 1014523648 /nfs/dbraw/zinc/52/36/48/1014523648.db2.gz QUPXSJIYGHUDFX-UFYCRDLUSA-N 1 1 323.484 3.713 20 30 DHEDMO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000487413615 1014610505 /nfs/dbraw/zinc/61/05/05/1014610505.db2.gz UXNVFKDEIRPUDW-WMZOPIPTSA-N 1 1 313.489 3.792 20 30 DHEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000487413615 1014610510 /nfs/dbraw/zinc/61/05/10/1014610510.db2.gz UXNVFKDEIRPUDW-WMZOPIPTSA-N 1 1 313.489 3.792 20 30 DHEDMO CCN1CC[C@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000487413615 1014610515 /nfs/dbraw/zinc/61/05/15/1014610515.db2.gz UXNVFKDEIRPUDW-WMZOPIPTSA-N 1 1 313.489 3.792 20 30 DHEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000487413615 1014610522 /nfs/dbraw/zinc/61/05/22/1014610522.db2.gz UXNVFKDEIRPUDW-WMZOPIPTSA-N 1 1 313.489 3.792 20 30 DHEDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3F)C2)n1 ZINC000933124712 1014655288 /nfs/dbraw/zinc/65/52/88/1014655288.db2.gz BOZBIVSMUKJGFZ-ZDUSSCGKSA-N 1 1 315.417 3.527 20 30 DHEDMO C[C@@H](C[N@@H+](C)CCCCC1(C#N)CCC1)NC(=O)OC(C)(C)C ZINC000931335588 1032100268 /nfs/dbraw/zinc/10/02/68/1032100268.db2.gz XZYYWDOLHDYZCT-HNNXBMFYSA-N 1 1 323.481 3.696 20 30 DHEDMO N#Cc1ccc(NCC[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000521532067 1014722120 /nfs/dbraw/zinc/72/21/20/1014722120.db2.gz IMLBSVJKXHICRB-UHFFFAOYSA-N 1 1 311.816 3.682 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)Cc2ccc(C#N)c(OC)c2)cc1 ZINC000442800140 1014737031 /nfs/dbraw/zinc/73/70/31/1014737031.db2.gz LLFPONMYJGTRAF-UHFFFAOYSA-N 1 1 324.424 3.640 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2cccc(OC(C)C)c2)ccc1C#N ZINC000442883946 1014760588 /nfs/dbraw/zinc/76/05/88/1014760588.db2.gz WSQTZZLZWNKNNJ-UHFFFAOYSA-N 1 1 324.424 3.986 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)ccc1C#N ZINC000442888356 1014761914 /nfs/dbraw/zinc/76/19/14/1014761914.db2.gz GCDLCWWLDVZQHA-KXBFYZLASA-N 1 1 306.409 3.945 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(C#N)c(OC)c3)C2)cc1 ZINC000442885809 1014763640 /nfs/dbraw/zinc/76/36/40/1014763640.db2.gz OPOSRQFJXMYNPP-SFHVURJKSA-N 1 1 322.408 3.565 20 30 DHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(OC)c2)C1 ZINC000442891274 1014764877 /nfs/dbraw/zinc/76/48/77/1014764877.db2.gz QTOBROVACRQYMN-HZPDHXFCSA-N 1 1 304.459 3.673 20 30 DHEDMO COc1cc(C[N@@H+](C)[C@H](C)c2sc(C)nc2C)ccc1C#N ZINC000442889459 1014765665 /nfs/dbraw/zinc/76/56/65/1014765665.db2.gz KJXSIBRINZUXAM-GFCCVEGCSA-N 1 1 315.442 3.833 20 30 DHEDMO COc1ccc2c(c1OC)CC[N@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC000442903754 1014770079 /nfs/dbraw/zinc/77/00/79/1014770079.db2.gz UCEPELKZCZTZSS-AWEZNQCLSA-N 1 1 322.408 3.695 20 30 DHEDMO COc1ccc2c(c1OC)CC[N@@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC000442903754 1014770088 /nfs/dbraw/zinc/77/00/88/1014770088.db2.gz UCEPELKZCZTZSS-AWEZNQCLSA-N 1 1 322.408 3.695 20 30 DHEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC001167458495 1014781705 /nfs/dbraw/zinc/78/17/05/1014781705.db2.gz VHZLPEXQUZQDTI-CRAIPNDOSA-N 1 1 313.445 3.787 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc2c(c1)OCO2 ZINC000187409928 1014832265 /nfs/dbraw/zinc/83/22/65/1014832265.db2.gz QQSQBOODOHDGIW-NSHDSACASA-N 1 1 314.772 3.791 20 30 DHEDMO CC[C@@H](C(=O)Nc1ccccc1CC#N)[N@@H+](C)Cc1ccccc1 ZINC000581439013 1014861680 /nfs/dbraw/zinc/86/16/80/1014861680.db2.gz HGUOKGVLWDQKJE-IBGZPJMESA-N 1 1 321.424 3.602 20 30 DHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2OC)C1 ZINC000121091739 1014923549 /nfs/dbraw/zinc/92/35/49/1014923549.db2.gz WUNUCZVMFSQULC-HZPDHXFCSA-N 1 1 304.459 3.673 20 30 DHEDMO C#CCC1([NH2+][C@H](C)c2nc(-c3ccc(Cl)cc3)no2)CCC1 ZINC000933298458 1014953677 /nfs/dbraw/zinc/95/36/77/1014953677.db2.gz HFFJIXLTRZXKLB-GFCCVEGCSA-N 1 1 315.804 3.987 20 30 DHEDMO Cc1cc(NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc(C#N)n1 ZINC000308277910 1015026514 /nfs/dbraw/zinc/02/65/14/1015026514.db2.gz LOKPSVFRRPWXQO-HXUWFJFHSA-N 1 1 320.440 3.586 20 30 DHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)C1(C)C ZINC001167473066 1015035582 /nfs/dbraw/zinc/03/55/82/1015035582.db2.gz FTJDIMTZOAHRIK-CVEARBPZSA-N 1 1 306.837 3.847 20 30 DHEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000665391856 1015173357 /nfs/dbraw/zinc/17/33/57/1015173357.db2.gz LPMDRQBKKMHXRR-TVFCKZIOSA-N 1 1 321.509 3.636 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](Cc1ccc(OC)cc1OC)C(C)(C)C ZINC000474186125 1015174657 /nfs/dbraw/zinc/17/46/57/1015174657.db2.gz UFXYFHLPRWLMIV-INIZCTEOSA-N 1 1 321.461 3.631 20 30 DHEDMO N#CC1CCC([NH2+]CC(F)(F)c2cc(F)cc(F)c2)CC1 ZINC000895603709 1015219783 /nfs/dbraw/zinc/21/97/83/1015219783.db2.gz AMBOCCVENUSOPW-UHFFFAOYSA-N 1 1 300.299 3.729 20 30 DHEDMO CCCCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C(C)C ZINC000126771543 1015235099 /nfs/dbraw/zinc/23/50/99/1015235099.db2.gz NFKZPFNWWNIHGP-UHFFFAOYSA-N 1 1 305.422 3.607 20 30 DHEDMO COCCCC1(C[N@H+]2CCc3c(CC#N)cccc3C2)CCC1 ZINC000895667744 1015253846 /nfs/dbraw/zinc/25/38/46/1015253846.db2.gz UQCNOUUIYFDLOT-UHFFFAOYSA-N 1 1 312.457 3.708 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000398972460 1015256590 /nfs/dbraw/zinc/25/65/90/1015256590.db2.gz ACXXFVJOJIWYNO-VAMGGRTRSA-N 1 1 312.457 3.658 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1ccc(F)cc1)Cc1cccs1 ZINC000051262259 1015387432 /nfs/dbraw/zinc/38/74/32/1015387432.db2.gz PGLXLQUNBVHJIP-UHFFFAOYSA-N 1 1 318.417 3.904 20 30 DHEDMO CCOc1ccc(C[NH2+]Cc2ccc(SC)c(C#N)c2)o1 ZINC000896045632 1015421455 /nfs/dbraw/zinc/42/14/55/1015421455.db2.gz JTPDBHKWAHNQLN-UHFFFAOYSA-N 1 1 302.399 3.562 20 30 DHEDMO COCC[N@@H+](Cc1csc(C#N)c1)[C@H](C)c1ccccc1 ZINC000891677662 1015515030 /nfs/dbraw/zinc/51/50/30/1015515030.db2.gz KUPPLKGQJPXBNV-CQSZACIVSA-N 1 1 300.427 3.829 20 30 DHEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000891716649 1015563448 /nfs/dbraw/zinc/56/34/48/1015563448.db2.gz VIPRMBKBABWUBP-CRAIPNDOSA-N 1 1 323.481 3.505 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)cs1 ZINC000896528537 1015612768 /nfs/dbraw/zinc/61/27/68/1015612768.db2.gz ZMBPXPNWYHJMAY-LBPRGKRZSA-N 1 1 303.456 3.531 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000896519065 1015616146 /nfs/dbraw/zinc/61/61/46/1015616146.db2.gz XABSAUSJVLGRCQ-KGLIPLIRSA-N 1 1 303.475 3.751 20 30 DHEDMO C=CC[N@H+](Cc1cnn(C2CCC2)c1)Cc1cccc(C#N)c1 ZINC000891805168 1015638456 /nfs/dbraw/zinc/63/84/56/1015638456.db2.gz FDHZBJSXNISLMF-UHFFFAOYSA-N 1 1 306.413 3.668 20 30 DHEDMO C=CC[N@@H+](Cc1cnn(C2CCC2)c1)Cc1cccc(C#N)c1 ZINC000891805168 1015638465 /nfs/dbraw/zinc/63/84/65/1015638465.db2.gz FDHZBJSXNISLMF-UHFFFAOYSA-N 1 1 306.413 3.668 20 30 DHEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)CC12CCC2 ZINC000329157269 1015649706 /nfs/dbraw/zinc/64/97/06/1015649706.db2.gz WECOGJWUXHNMTN-CYBMUJFWSA-N 1 1 316.401 3.515 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000891823301 1015657380 /nfs/dbraw/zinc/65/73/80/1015657380.db2.gz PEBLBPCFIBEEKB-HOTGVXAUSA-N 1 1 317.502 3.706 20 30 DHEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H](O)c1ccc(F)cc1Cl ZINC000933774023 1015662470 /nfs/dbraw/zinc/66/24/70/1015662470.db2.gz VCJXPSXELDYQTQ-HNNXBMFYSA-N 1 1 324.808 3.578 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCc2c1cccc2O ZINC000329313012 1015682322 /nfs/dbraw/zinc/68/23/22/1015682322.db2.gz APVXKZSUHCUVMM-CZUORRHYSA-N 1 1 302.418 3.601 20 30 DHEDMO COC(=O)C(C)(C)[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000561738815 1015726241 /nfs/dbraw/zinc/72/62/41/1015726241.db2.gz RPUVMOAPEMNECO-UHFFFAOYSA-N 1 1 322.408 3.609 20 30 DHEDMO COC(=O)C(C)(C)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000561738815 1015726245 /nfs/dbraw/zinc/72/62/45/1015726245.db2.gz RPUVMOAPEMNECO-UHFFFAOYSA-N 1 1 322.408 3.609 20 30 DHEDMO Cc1cc(C)c(C#N)c(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000538098335 1015757136 /nfs/dbraw/zinc/75/71/36/1015757136.db2.gz FIRVUYABXMJJAS-FUHWJXTLSA-N 1 1 320.440 3.818 20 30 DHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000247549065 1015779387 /nfs/dbraw/zinc/77/93/87/1015779387.db2.gz PTBZCISXSDHCHE-KBRIMQKVSA-N 1 1 322.412 3.761 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1OC ZINC000535780533 1015825831 /nfs/dbraw/zinc/82/58/31/1015825831.db2.gz CCMOQEKCAZYJKT-SFHVURJKSA-N 1 1 324.424 3.992 20 30 DHEDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000610812746 1015854536 /nfs/dbraw/zinc/85/45/36/1015854536.db2.gz NGOJPBHICHHVNP-GFCCVEGCSA-N 1 1 313.332 3.765 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341944915 1015855731 /nfs/dbraw/zinc/85/57/31/1015855731.db2.gz SPUWXQVHEUOKMW-UHFFFAOYSA-N 1 1 300.446 3.591 20 30 DHEDMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000610967923 1015968336 /nfs/dbraw/zinc/96/83/36/1015968336.db2.gz XGNPBBSFLZKCFA-WBVHZDCISA-N 1 1 306.413 3.791 20 30 DHEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000610967923 1015968343 /nfs/dbraw/zinc/96/83/43/1015968343.db2.gz XGNPBBSFLZKCFA-WBVHZDCISA-N 1 1 306.413 3.791 20 30 DHEDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccnc(C#N)c1 ZINC000610991475 1015992145 /nfs/dbraw/zinc/99/21/45/1015992145.db2.gz NTLKNPZRHJQZSX-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccnc(C#N)c1 ZINC000610991475 1015992152 /nfs/dbraw/zinc/99/21/52/1015992152.db2.gz NTLKNPZRHJQZSX-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO COc1ccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)cc1C#N ZINC000610992646 1016001173 /nfs/dbraw/zinc/00/11/73/1016001173.db2.gz WYCQYQSMQYKYQA-HXUWFJFHSA-N 1 1 322.408 3.530 20 30 DHEDMO C[C@@H]1SCC[N@H+](Cc2ccnc(C#N)c2)[C@H]1c1ccccc1 ZINC000610993084 1016005120 /nfs/dbraw/zinc/00/51/20/1016005120.db2.gz CDMVUQMSIOBGSV-KBXCAEBGSA-N 1 1 309.438 3.632 20 30 DHEDMO C[C@@H]1SCC[N@@H+](Cc2ccnc(C#N)c2)[C@H]1c1ccccc1 ZINC000610993084 1016005124 /nfs/dbraw/zinc/00/51/24/1016005124.db2.gz CDMVUQMSIOBGSV-KBXCAEBGSA-N 1 1 309.438 3.632 20 30 DHEDMO C=CCOC1CCC([N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)CC1 ZINC001173325733 1033685528 /nfs/dbraw/zinc/68/55/28/1033685528.db2.gz QGVYQPJAOPPIOI-KLAILNCOSA-N 1 1 305.462 3.724 20 30 DHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000538827026 1016180445 /nfs/dbraw/zinc/18/04/45/1016180445.db2.gz GBAQVGAYTDHNQG-CYBMUJFWSA-N 1 1 320.458 3.564 20 30 DHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000538827026 1016180460 /nfs/dbraw/zinc/18/04/60/1016180460.db2.gz GBAQVGAYTDHNQG-CYBMUJFWSA-N 1 1 320.458 3.564 20 30 DHEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000934182979 1016188880 /nfs/dbraw/zinc/18/88/80/1016188880.db2.gz PAWVIYYUENLQOO-SCTDSRPQSA-N 1 1 314.473 3.616 20 30 DHEDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1cncs1 ZINC000934198782 1016216740 /nfs/dbraw/zinc/21/67/40/1016216740.db2.gz PVHCOXUAPCJLOX-JTQLQIEISA-N 1 1 307.806 3.550 20 30 DHEDMO CCC[N@@H+](CCOCCC#N)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001167533759 1016306315 /nfs/dbraw/zinc/30/63/15/1016306315.db2.gz LAEYVSXOQFAMPB-MSOLQXFVSA-N 1 1 322.493 3.757 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(OC3CCCCC3)nc2)o1 ZINC000539497452 1016343824 /nfs/dbraw/zinc/34/38/24/1016343824.db2.gz IEGCSRONRJUQGJ-UHFFFAOYSA-N 1 1 311.385 3.548 20 30 DHEDMO C=C[C@@H](C)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000342406528 1016354975 /nfs/dbraw/zinc/35/49/75/1016354975.db2.gz DQDCJCUDJGSHLP-MRXNPFEDSA-N 1 1 308.425 3.623 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cs1 ZINC000892216557 1016472514 /nfs/dbraw/zinc/47/25/14/1016472514.db2.gz NNCVXJJJPYSVGU-UKRRQHHQSA-N 1 1 318.467 3.769 20 30 DHEDMO C[C@H](c1ccccc1)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075597583 1016487380 /nfs/dbraw/zinc/48/73/80/1016487380.db2.gz VJKYKQKBSQNUJP-CQSZACIVSA-N 1 1 318.380 3.801 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075597583 1016487387 /nfs/dbraw/zinc/48/73/87/1016487387.db2.gz VJKYKQKBSQNUJP-CQSZACIVSA-N 1 1 318.380 3.801 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C)Cc2ccc[nH]2)ccc1OC ZINC000354032755 1016501312 /nfs/dbraw/zinc/50/13/12/1016501312.db2.gz DJGHTGPTPUHCLN-UHFFFAOYSA-N 1 1 300.402 3.610 20 30 DHEDMO COCC[N@H+](CCC#N)C[C@@H](C)CSc1ccccc1C ZINC001167558811 1016536349 /nfs/dbraw/zinc/53/63/49/1016536349.db2.gz UGINDYZXRZDSBL-OAHLLOKOSA-N 1 1 306.475 3.585 20 30 DHEDMO COCC[N@@H+](CCC#N)C[C@@H](C)CSc1ccccc1C ZINC001167558811 1016536358 /nfs/dbraw/zinc/53/63/58/1016536358.db2.gz UGINDYZXRZDSBL-OAHLLOKOSA-N 1 1 306.475 3.585 20 30 DHEDMO N#Cc1cc(C[N@@H+](CCCO)Cc2cccc(Cl)c2)cs1 ZINC000892233387 1016536828 /nfs/dbraw/zinc/53/68/28/1016536828.db2.gz QCDILMKXKJZCIC-UHFFFAOYSA-N 1 1 320.845 3.658 20 30 DHEDMO N#Cc1cc(C[N@H+](CCCO)Cc2cccc(Cl)c2)cs1 ZINC000892233387 1016536835 /nfs/dbraw/zinc/53/68/35/1016536835.db2.gz QCDILMKXKJZCIC-UHFFFAOYSA-N 1 1 320.845 3.658 20 30 DHEDMO C[N@H+](CCOc1cccc(C#N)c1)Cc1nc2ccccc2s1 ZINC000051590156 1016579468 /nfs/dbraw/zinc/57/94/68/1016579468.db2.gz QSXWDECBLJWNNN-UHFFFAOYSA-N 1 1 323.421 3.679 20 30 DHEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1nc2ccccc2s1 ZINC000051590156 1016579473 /nfs/dbraw/zinc/57/94/73/1016579473.db2.gz QSXWDECBLJWNNN-UHFFFAOYSA-N 1 1 323.421 3.679 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000029597374 1016607200 /nfs/dbraw/zinc/60/72/00/1016607200.db2.gz YHGRHYYFZVGPCZ-INIZCTEOSA-N 1 1 310.441 3.915 20 30 DHEDMO N#Cc1ccc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000281875855 1016776539 /nfs/dbraw/zinc/77/65/39/1016776539.db2.gz LDENEUOYMKSWPY-OAHLLOKOSA-N 1 1 324.403 3.614 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000347272126 1016834183 /nfs/dbraw/zinc/83/41/83/1016834183.db2.gz PVWCKOTYYKFHSL-GOSISDBHSA-N 1 1 317.477 3.681 20 30 DHEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccn(C3CCCC3)n1)CC2 ZINC000562082613 1016883259 /nfs/dbraw/zinc/88/32/59/1016883259.db2.gz QSVMEJXGYBCGNE-IBGZPJMESA-N 1 1 306.413 3.647 20 30 DHEDMO N#Cc1cccc(C[NH2+]Cc2c(F)cccc2OC(F)F)c1 ZINC000072926981 1016996082 /nfs/dbraw/zinc/99/60/82/1016996082.db2.gz MVLVBHPSYCHEMC-UHFFFAOYSA-N 1 1 306.287 3.589 20 30 DHEDMO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000342784588 1017232754 /nfs/dbraw/zinc/23/27/54/1017232754.db2.gz QRXYZWXNLLQGMM-YJBOKZPZSA-N 1 1 308.429 3.778 20 30 DHEDMO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cs1 ZINC000772960793 1032196325 /nfs/dbraw/zinc/19/63/25/1032196325.db2.gz WKJSJQJWIDUHEG-NWDGAFQWSA-N 1 1 301.415 3.766 20 30 DHEDMO C[C@@H](CCN[C@H]1CCCc2cc(C#N)ccc21)[NH+]1CCCCC1 ZINC000612422578 1032229323 /nfs/dbraw/zinc/22/93/23/1032229323.db2.gz ANJDAHAGRYCATJ-JXFKEZNVSA-N 1 1 311.473 3.790 20 30 DHEDMO C=CCCC[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000117875545 1032229410 /nfs/dbraw/zinc/22/94/10/1032229410.db2.gz BLGMABDFKIYUJE-UHFFFAOYSA-N 1 1 321.852 3.846 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000794411352 1032288016 /nfs/dbraw/zinc/28/80/16/1032288016.db2.gz DEPAKCKVJUXNQD-PMACEKPBSA-N 1 1 324.399 3.785 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCC2(CC)COC2)cc1 ZINC001168334248 1032339299 /nfs/dbraw/zinc/33/92/99/1032339299.db2.gz OOUGJSUFBNBLLF-GOSISDBHSA-N 1 1 300.446 3.848 20 30 DHEDMO C=CCC[C@@H]([NH2+]C[C@@H]1CCN(CCc2ccccc2)C1)C1CC1 ZINC000120944229 1032405386 /nfs/dbraw/zinc/40/53/86/1032405386.db2.gz KNCLPXYJEWCKSI-PZJWPPBQSA-N 1 1 312.501 3.885 20 30 DHEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC#Cc1ccc(F)cc1)CCC2 ZINC000121398435 1032441294 /nfs/dbraw/zinc/44/12/94/1032441294.db2.gz TUTZGSCCSIDXPL-KRWDZBQOSA-N 1 1 314.429 3.952 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1F ZINC000384318288 1017293256 /nfs/dbraw/zinc/29/32/56/1017293256.db2.gz ZZQKMQJOHBVSSF-QGZVFWFLSA-N 1 1 324.399 3.736 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1F ZINC000384318285 1017293624 /nfs/dbraw/zinc/29/36/24/1017293624.db2.gz ZZQKMQJOHBVSSF-KRWDZBQOSA-N 1 1 324.399 3.736 20 30 DHEDMO Cc1cc(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c(C)[nH]1 ZINC000348125874 1032470350 /nfs/dbraw/zinc/47/03/50/1032470350.db2.gz YDACHZZMPPUYDK-UHFFFAOYSA-N 1 1 323.440 3.844 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1ccc(OC)c(O)c1 ZINC000092404989 1032492358 /nfs/dbraw/zinc/49/23/58/1032492358.db2.gz WOCZKTCHMIDRSR-UHFFFAOYSA-N 1 1 313.397 3.598 20 30 DHEDMO C=CCOc1ccccc1C[N@H+](C)Cc1ccc(OC)c(O)c1 ZINC000092404989 1032492364 /nfs/dbraw/zinc/49/23/64/1032492364.db2.gz WOCZKTCHMIDRSR-UHFFFAOYSA-N 1 1 313.397 3.598 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)c(OC)c1 ZINC000092504459 1032500152 /nfs/dbraw/zinc/50/01/52/1032500152.db2.gz DQMZRXBIDZDYQW-UHFFFAOYSA-N 1 1 322.408 3.764 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2CSC)cc1OC ZINC000093761198 1032554721 /nfs/dbraw/zinc/55/47/21/1032554721.db2.gz MRJQMULYKVFVCA-OAHLLOKOSA-N 1 1 307.459 3.587 20 30 DHEDMO CSC[C@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000093760962 1032555020 /nfs/dbraw/zinc/55/50/20/1032555020.db2.gz DNMMOQKRGZNGPF-MRXNPFEDSA-N 1 1 304.459 3.697 20 30 DHEDMO Brc1ccccc1C[NH2+]CC#Cc1ccccc1 ZINC000051814256 1017101165 /nfs/dbraw/zinc/10/11/65/1017101165.db2.gz XDMFIJXPIFXMGR-UHFFFAOYSA-N 1 1 300.199 3.590 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(C)(C)C ZINC000261417316 1012030277 /nfs/dbraw/zinc/03/02/77/1012030277.db2.gz WQPFMJHGOAPOTP-UHFFFAOYSA-N 1 1 307.825 3.518 20 30 DHEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000424540972 1012035567 /nfs/dbraw/zinc/03/55/67/1012035567.db2.gz JPDCBVYNHXGGNP-HNNXBMFYSA-N 1 1 308.853 3.661 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCCC[C@@H]1C ZINC000120149259 1012093581 /nfs/dbraw/zinc/09/35/81/1012093581.db2.gz VAFXXYAEXJFFNT-LRDDRELGSA-N 1 1 317.433 3.607 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000424756044 1012126839 /nfs/dbraw/zinc/12/68/39/1012126839.db2.gz PFTLSIYJVYKSHF-UHFFFAOYSA-N 1 1 320.521 3.949 20 30 DHEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000514189685 1012290826 /nfs/dbraw/zinc/29/08/26/1012290826.db2.gz NDMFTVCSGALGMJ-HXUWFJFHSA-N 1 1 320.436 3.953 20 30 DHEDMO C=CC[NH+]1CCC(N[C@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924984196 1012346025 /nfs/dbraw/zinc/34/60/25/1012346025.db2.gz PIWHFVULSANANY-OAHLLOKOSA-N 1 1 311.429 3.643 20 30 DHEDMO N#Cc1cccnc1S[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000425284430 1012408049 /nfs/dbraw/zinc/40/80/49/1012408049.db2.gz QVCOBSLTTSELSS-QGZVFWFLSA-N 1 1 309.438 3.710 20 30 DHEDMO CC[N@H+](CCOc1cc(Cl)cc(Cl)c1)C[C@H](C)C#N ZINC000610212482 1012412595 /nfs/dbraw/zinc/41/25/95/1012412595.db2.gz CDOXRGJJQVNVJP-LLVKDONJSA-N 1 1 301.217 3.854 20 30 DHEDMO CC[N@@H+](CCOc1cc(Cl)cc(Cl)c1)C[C@H](C)C#N ZINC000610212482 1012412602 /nfs/dbraw/zinc/41/26/02/1012412602.db2.gz CDOXRGJJQVNVJP-LLVKDONJSA-N 1 1 301.217 3.854 20 30 DHEDMO CC(C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000117347820 1012466385 /nfs/dbraw/zinc/46/63/85/1012466385.db2.gz NHFYSUNAWXXZDC-INIZCTEOSA-N 1 1 319.836 3.661 20 30 DHEDMO CC(C)n1cncc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000425331817 1012466320 /nfs/dbraw/zinc/46/63/20/1012466320.db2.gz COVWWGVIXLFKAF-UHFFFAOYSA-N 1 1 306.413 3.625 20 30 DHEDMO CC(C)n1cncc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000425331817 1012466328 /nfs/dbraw/zinc/46/63/28/1012466328.db2.gz COVWWGVIXLFKAF-UHFFFAOYSA-N 1 1 306.413 3.625 20 30 DHEDMO COC(=O)c1ccccc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425369203 1012503959 /nfs/dbraw/zinc/50/39/59/1012503959.db2.gz ZEJYJJZFBDSSHO-AWEZNQCLSA-N 1 1 308.381 3.538 20 30 DHEDMO COC(=O)c1ccccc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425369203 1012503967 /nfs/dbraw/zinc/50/39/67/1012503967.db2.gz ZEJYJJZFBDSSHO-AWEZNQCLSA-N 1 1 308.381 3.538 20 30 DHEDMO Cc1cc(C#N)cc(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000336708348 1012535885 /nfs/dbraw/zinc/53/58/85/1012535885.db2.gz MGEBELRUMLNZHJ-APWZRJJASA-N 1 1 320.440 3.584 20 30 DHEDMO N#Cc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000127058668 1012544287 /nfs/dbraw/zinc/54/42/87/1012544287.db2.gz JCWRKPDSDPGMRG-UHFFFAOYSA-N 1 1 307.353 3.631 20 30 DHEDMO COc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCC#N)CCC3)cc1 ZINC000515347333 1012605162 /nfs/dbraw/zinc/60/51/62/1012605162.db2.gz BZCKUPNCJQBYJM-CQSZACIVSA-N 1 1 313.426 3.699 20 30 DHEDMO COc1cc(C[N@H+](C)Cc2ccc(C#N)s2)ccc1SC ZINC000123376480 1032644265 /nfs/dbraw/zinc/64/42/65/1032644265.db2.gz NQKOHCUCMRZIGY-UHFFFAOYSA-N 1 1 318.467 3.982 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)s2)ccc1SC ZINC000123376480 1032644275 /nfs/dbraw/zinc/64/42/75/1032644275.db2.gz NQKOHCUCMRZIGY-UHFFFAOYSA-N 1 1 318.467 3.982 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@H](c3ccccc3)C2)ccc1C#N ZINC000515443462 1012624373 /nfs/dbraw/zinc/62/43/73/1012624373.db2.gz VXWRLSHNGQQZJJ-IBGZPJMESA-N 1 1 306.409 3.946 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(F)c(F)c1 ZINC000425431246 1012639125 /nfs/dbraw/zinc/63/91/25/1012639125.db2.gz HPSDDGCPMHDOCN-HZPDHXFCSA-N 1 1 322.399 3.571 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000515495864 1012639523 /nfs/dbraw/zinc/63/95/23/1012639523.db2.gz KKVLVVAOOYFANC-IBGZPJMESA-N 1 1 310.372 3.913 20 30 DHEDMO CCC[N@@H+](CCOc1ccccc1OC)Cc1ccc(C#N)cc1 ZINC000515544966 1012654999 /nfs/dbraw/zinc/65/49/99/1012654999.db2.gz IYMZUGYNXZAXHT-UHFFFAOYSA-N 1 1 324.424 3.858 20 30 DHEDMO C[N@H+](Cc1ccccc1)Cc1ccc(Br)cc1C#N ZINC000309744378 1012715947 /nfs/dbraw/zinc/71/59/47/1012715947.db2.gz SZQOLAIKYXRTJV-UHFFFAOYSA-N 1 1 315.214 3.953 20 30 DHEDMO C[N@@H+](Cc1ccccc1)Cc1ccc(Br)cc1C#N ZINC000309744378 1012715961 /nfs/dbraw/zinc/71/59/61/1012715961.db2.gz SZQOLAIKYXRTJV-UHFFFAOYSA-N 1 1 315.214 3.953 20 30 DHEDMO C[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)[C@@H]1C(=O)OC(C)(C)C ZINC000425521614 1012726997 /nfs/dbraw/zinc/72/69/97/1012726997.db2.gz KKDFFNAPYSUNMO-CABCVRRESA-N 1 1 308.466 3.759 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccc2c(c1)CCO2 ZINC000425530973 1012727593 /nfs/dbraw/zinc/72/75/93/1012727593.db2.gz GPCVZCIXHIPGTH-HNNXBMFYSA-N 1 1 306.409 3.729 20 30 DHEDMO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425533845 1012731308 /nfs/dbraw/zinc/73/13/08/1012731308.db2.gz LLRZSZXOSVHYOU-GUXCAODWSA-N 1 1 308.425 3.716 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)Nc1ccccc1 ZINC000425534410 1012739058 /nfs/dbraw/zinc/73/90/58/1012739058.db2.gz LYZDMCDFRXNZKL-HNNXBMFYSA-N 1 1 307.397 3.580 20 30 DHEDMO CO[C@H](Cc1ccccc1)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425539633 1012740530 /nfs/dbraw/zinc/74/05/30/1012740530.db2.gz UCUGVUMBWMXJGI-OXJNMPFZSA-N 1 1 308.425 3.809 20 30 DHEDMO COCC#CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC001167085747 1012760419 /nfs/dbraw/zinc/76/04/19/1012760419.db2.gz UQDBULGGAMRAAG-UHFFFAOYSA-N 1 1 300.229 3.854 20 30 DHEDMO CC(=[NH+]NCc1ccc(-c2ccccc2)cc1)c1csc(N)n1 ZINC000748085301 1012768580 /nfs/dbraw/zinc/76/85/80/1012768580.db2.gz CEMYSBIDBQSGOZ-UHFFFAOYSA-N 1 1 322.437 3.906 20 30 DHEDMO CCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc[nH]1 ZINC001270134886 1012775327 /nfs/dbraw/zinc/77/53/27/1012775327.db2.gz WYNZENMQIWZERO-HDICACEKSA-N 1 1 317.477 3.550 20 30 DHEDMO CCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc[nH]1 ZINC001270134886 1012775339 /nfs/dbraw/zinc/77/53/39/1012775339.db2.gz WYNZENMQIWZERO-HDICACEKSA-N 1 1 317.477 3.550 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+](CC)Cc1ccc2ccccc2c1 ZINC000516744874 1012827887 /nfs/dbraw/zinc/82/78/87/1012827887.db2.gz FYNHSBXCCBIZJA-UHFFFAOYSA-N 1 1 322.452 3.862 20 30 DHEDMO C=CCn1c(=S)n(C[NH+](CC2CC2)CC2CC2)nc1C1CC1 ZINC000115513857 1032667546 /nfs/dbraw/zinc/66/75/46/1032667546.db2.gz ZVRRJRDACVXJFW-UHFFFAOYSA-N 1 1 318.490 3.557 20 30 DHEDMO CCOc1ccc2c(c1)CC[N@@H+](Cc1ccc(OC)c(C#N)c1)C2 ZINC000340175031 1017122392 /nfs/dbraw/zinc/12/23/92/1017122392.db2.gz VOGLLTFOXQKUOK-UHFFFAOYSA-N 1 1 322.408 3.524 20 30 DHEDMO CCOc1ccc2c(c1)CC[N@H+](Cc1ccc(OC)c(C#N)c1)C2 ZINC000340175031 1017122396 /nfs/dbraw/zinc/12/23/96/1017122396.db2.gz VOGLLTFOXQKUOK-UHFFFAOYSA-N 1 1 322.408 3.524 20 30 DHEDMO CCCCCCCCC[N@@H+](C)CN1CC2(CC1=O)CCOCC2 ZINC000176731785 1017150321 /nfs/dbraw/zinc/15/03/21/1017150321.db2.gz GGCZIVLYLOXZLR-UHFFFAOYSA-N 1 1 324.509 3.655 20 30 DHEDMO C[NH+](C)[C@H](C/N=C\c1ccccc1O)c1ccccc1Cl ZINC000255523926 1017194357 /nfs/dbraw/zinc/19/43/57/1017194357.db2.gz ISKOIGSFWVQTBL-VXIUPONVSA-N 1 1 302.805 3.767 20 30 DHEDMO CC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@H](COC)Cc1ccccc1 ZINC001167602152 1017205835 /nfs/dbraw/zinc/20/58/35/1017205835.db2.gz JQMVYKLPWPZDQU-NRFANRHFSA-N 1 1 322.452 3.946 20 30 DHEDMO C[N@@H+](CCCOCc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000384267354 1017263553 /nfs/dbraw/zinc/26/35/53/1017263553.db2.gz PWTGFJLOWCNSFG-UHFFFAOYSA-N 1 1 312.388 3.736 20 30 DHEDMO Cn1cc(C[N@H+](CCC#N)CC(C)(C)C)c(-c2ccccc2)n1 ZINC000180059927 1017363280 /nfs/dbraw/zinc/36/32/80/1017363280.db2.gz SRTIWKSNRSXAOT-UHFFFAOYSA-N 1 1 310.445 3.849 20 30 DHEDMO Cn1cc(C[N@@H+](CCC#N)CC(C)(C)C)c(-c2ccccc2)n1 ZINC000180059927 1017363293 /nfs/dbraw/zinc/36/32/93/1017363293.db2.gz SRTIWKSNRSXAOT-UHFFFAOYSA-N 1 1 310.445 3.849 20 30 DHEDMO Cc1ccccc1-c1nn(-c2ccccc2)cc1C[NH2+]CCC#N ZINC000346736829 1017364553 /nfs/dbraw/zinc/36/45/53/1017364553.db2.gz CAFJXNXKQWUFEZ-UHFFFAOYSA-N 1 1 316.408 3.851 20 30 DHEDMO N#Cc1ccc(Cl)cc1NCC[N@H+]1CCc2ccccc2C1 ZINC000609891239 1017364783 /nfs/dbraw/zinc/36/47/83/1017364783.db2.gz UGERLOMUGFYAFN-UHFFFAOYSA-N 1 1 311.816 3.682 20 30 DHEDMO CC[C@H]([NH2+]Cc1sc(C)nc1C)c1cccc(C#N)c1O ZINC000925148743 1017366933 /nfs/dbraw/zinc/36/69/33/1017366933.db2.gz OLTAQLQMINZAJT-AWEZNQCLSA-N 1 1 301.415 3.578 20 30 DHEDMO C[C@@H](Cc1cccs1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC001167608240 1017437499 /nfs/dbraw/zinc/43/74/99/1017437499.db2.gz KKCJFMZCGQSZEP-HNNXBMFYSA-N 1 1 306.475 3.711 20 30 DHEDMO C=CCCCCC[N@H+](C)CCC(=O)N1CCc2ccccc2C1 ZINC000444601881 1017583512 /nfs/dbraw/zinc/58/35/12/1017583512.db2.gz XNTUSBWEUZPXMB-UHFFFAOYSA-N 1 1 314.473 3.640 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1ccc([S@@](C)=O)cc1 ZINC000444635318 1017593686 /nfs/dbraw/zinc/59/36/86/1017593686.db2.gz AJRFSOQVUFHXEE-OAQYLSRUSA-N 1 1 306.475 3.576 20 30 DHEDMO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)c1 ZINC000857905196 1032711136 /nfs/dbraw/zinc/71/11/36/1032711136.db2.gz AMACAUIRRVELFR-CQSZACIVSA-N 1 1 301.752 3.523 20 30 DHEDMO CCOCC[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444680323 1017627922 /nfs/dbraw/zinc/62/79/22/1017627922.db2.gz DZBWKGPVQMLUIW-UHFFFAOYSA-N 1 1 322.452 3.855 20 30 DHEDMO C#CCOc1ccc(C[NH2+]Cc2nc(C(C)C)cs2)cc1 ZINC000125639213 1032715799 /nfs/dbraw/zinc/71/57/99/1032715799.db2.gz AYYRPNJADPDDRZ-UHFFFAOYSA-N 1 1 300.427 3.568 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2cccc(C(=O)N(C)C)c2)CCCC1(C)C ZINC000444784747 1017679318 /nfs/dbraw/zinc/67/93/18/1017679318.db2.gz OQVFBZMHWRESHD-GOSISDBHSA-N 1 1 314.473 3.955 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000523551698 1017728450 /nfs/dbraw/zinc/72/84/50/1017728450.db2.gz BCWDHEOHYUEMRK-UHFFFAOYSA-N 1 1 315.417 3.923 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2nc(-c3ccc(OCC)cc3)no2)C1 ZINC000625702162 1017778841 /nfs/dbraw/zinc/77/88/41/1017778841.db2.gz DNJDLRARMRBQNC-CQSZACIVSA-N 1 1 313.401 3.533 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000625700920 1017779246 /nfs/dbraw/zinc/77/92/46/1017779246.db2.gz NDQAJQCTAZZKTR-CYBMUJFWSA-N 1 1 317.820 3.831 20 30 DHEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000625701442 1017779632 /nfs/dbraw/zinc/77/96/32/1017779632.db2.gz JPPNOFKWFQGJSV-LPHOPBHVSA-N 1 1 301.430 3.642 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000625704537 1017782434 /nfs/dbraw/zinc/78/24/34/1017782434.db2.gz VADMFTAJHAZOPG-LBPRGKRZSA-N 1 1 312.335 3.542 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000625702836 1017782886 /nfs/dbraw/zinc/78/28/86/1017782886.db2.gz JDJSZCXOUHATKI-MRXNPFEDSA-N 1 1 321.424 3.636 20 30 DHEDMO CC(C)(C)OC(=O)Nc1cc(NCc2ccccc2C#N)cc[nH+]1 ZINC001167635489 1017817204 /nfs/dbraw/zinc/81/72/04/1017817204.db2.gz NDFINMNVQZBQKX-UHFFFAOYSA-N 1 1 324.384 3.912 20 30 DHEDMO C=C(C)C[N@@H+](CC)Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC000182033946 1017851856 /nfs/dbraw/zinc/85/18/56/1017851856.db2.gz OPSIVLQDXHASQH-UHFFFAOYSA-N 1 1 314.385 3.526 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC000182033946 1017851873 /nfs/dbraw/zinc/85/18/73/1017851873.db2.gz OPSIVLQDXHASQH-UHFFFAOYSA-N 1 1 314.385 3.526 20 30 DHEDMO Cc1cc[nH+]c2cc(NCCOc3ccc(C#N)cc3)ccc12 ZINC001171484116 1032725033 /nfs/dbraw/zinc/72/50/33/1032725033.db2.gz JSWNCDVUYOVRGZ-UHFFFAOYSA-N 1 1 303.365 3.906 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001171491505 1032733318 /nfs/dbraw/zinc/73/33/18/1032733318.db2.gz VNAUSSPIWYXIIB-BLLLJJGKSA-N 1 1 312.240 3.762 20 30 DHEDMO CCO[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000674250717 1017910618 /nfs/dbraw/zinc/91/06/18/1017910618.db2.gz DZWPZOJKVATPEC-MRXNPFEDSA-N 1 1 311.347 3.558 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC001171490566 1032733796 /nfs/dbraw/zinc/73/37/96/1032733796.db2.gz PVGGNWXCCDNDLL-AWEZNQCLSA-N 1 1 311.347 3.863 20 30 DHEDMO C=CCCC[N@H+](C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000524248218 1017933163 /nfs/dbraw/zinc/93/31/63/1017933163.db2.gz NOHVJKXRZYCLBJ-ZDUSSCGKSA-N 1 1 318.244 3.631 20 30 DHEDMO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)oc21 ZINC000182651059 1017940283 /nfs/dbraw/zinc/94/02/83/1017940283.db2.gz AIXKLKZIFQQVSP-KGLIPLIRSA-N 1 1 311.385 3.926 20 30 DHEDMO C#CC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000278019051 1017948171 /nfs/dbraw/zinc/94/81/71/1017948171.db2.gz AINSTUMBNHHHLF-AWEZNQCLSA-N 1 1 312.438 3.631 20 30 DHEDMO CC#CCC[N@@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445884402 1017997446 /nfs/dbraw/zinc/99/74/46/1017997446.db2.gz HFHIHSFJOWONDI-AWEZNQCLSA-N 1 1 308.219 3.618 20 30 DHEDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000183715305 1018036834 /nfs/dbraw/zinc/03/68/34/1018036834.db2.gz PHMJNUQWOWNEAE-MRXNPFEDSA-N 1 1 309.413 3.957 20 30 DHEDMO C=CCCCN(C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000172436462 1018050200 /nfs/dbraw/zinc/05/02/00/1018050200.db2.gz HAKPYXBBXCHZKB-INIZCTEOSA-N 1 1 323.868 3.550 20 30 DHEDMO N#Cc1csc(C[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000343071461 1018090784 /nfs/dbraw/zinc/09/07/84/1018090784.db2.gz ANTJWIPRUAQNDP-GOSISDBHSA-N 1 1 305.406 3.894 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000428445121 1018159093 /nfs/dbraw/zinc/15/90/93/1018159093.db2.gz FZRACXVMQKQEBL-FQEVSTJZSA-N 1 1 322.383 3.719 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000428445121 1018159098 /nfs/dbraw/zinc/15/90/98/1018159098.db2.gz FZRACXVMQKQEBL-FQEVSTJZSA-N 1 1 322.383 3.719 20 30 DHEDMO C#CCC[N@H+]1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 ZINC000764229390 1018208508 /nfs/dbraw/zinc/20/85/08/1018208508.db2.gz AMXSFQCWVDKCKI-HNNXBMFYSA-N 1 1 311.425 3.670 20 30 DHEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000446835762 1018264094 /nfs/dbraw/zinc/26/40/94/1018264094.db2.gz QDGHTDBKPIONOS-SFHVURJKSA-N 1 1 323.367 3.743 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000446835762 1018264105 /nfs/dbraw/zinc/26/41/05/1018264105.db2.gz QDGHTDBKPIONOS-SFHVURJKSA-N 1 1 323.367 3.743 20 30 DHEDMO C=CC(C)(C)CC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001127776851 1018314526 /nfs/dbraw/zinc/31/45/26/1018314526.db2.gz VZNJJPYCWUZFEG-GOSISDBHSA-N 1 1 314.473 3.712 20 30 DHEDMO CC(C)CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000441184816 1018319279 /nfs/dbraw/zinc/31/92/79/1018319279.db2.gz QFUMIRJBRJKWKP-UHFFFAOYSA-N 1 1 310.401 3.619 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCOCC23CCC3)cc1 ZINC000441184867 1018329410 /nfs/dbraw/zinc/32/94/10/1018329410.db2.gz QPVLHJXAVJQRCC-UHFFFAOYSA-N 1 1 318.420 3.980 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000583334519 1018350589 /nfs/dbraw/zinc/35/05/89/1018350589.db2.gz WLIJAHRNCUZDLZ-LJQANCHMSA-N 1 1 310.372 3.508 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000583334519 1018350599 /nfs/dbraw/zinc/35/05/99/1018350599.db2.gz WLIJAHRNCUZDLZ-LJQANCHMSA-N 1 1 310.372 3.508 20 30 DHEDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@@H](c2ccco2)C1 ZINC000246113542 1018405725 /nfs/dbraw/zinc/40/57/25/1018405725.db2.gz XSROUTPCOCQAPT-ZTFGCOKTSA-N 1 1 310.397 3.658 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000728569342 1018500001 /nfs/dbraw/zinc/50/00/01/1018500001.db2.gz BCYARXQWZNHWJK-PMACEKPBSA-N 1 1 324.399 3.785 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000447999065 1018514348 /nfs/dbraw/zinc/51/43/48/1018514348.db2.gz IVNVATWKEHUJDM-KRWDZBQOSA-N 1 1 314.473 3.638 20 30 DHEDMO C=C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000245675748 1018576275 /nfs/dbraw/zinc/57/62/75/1018576275.db2.gz TVGGCGWCAIHEBB-SCTDSRPQSA-N 1 1 314.473 3.535 20 30 DHEDMO C[C@H](C1CC1)n1cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000329388043 1018652333 /nfs/dbraw/zinc/65/23/33/1018652333.db2.gz REOKTCPFJPRQKH-CZUORRHYSA-N 1 1 304.438 3.707 20 30 DHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccncc2Cl)c1 ZINC000858136944 1032777041 /nfs/dbraw/zinc/77/70/41/1032777041.db2.gz AHQLWYFWOVIZHN-HNNXBMFYSA-N 1 1 315.804 3.706 20 30 DHEDMO C[C@H]1C[C@H](NCC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000405150686 1018731776 /nfs/dbraw/zinc/73/17/76/1018731776.db2.gz OKFYUTBAARMCSP-PKOBYXMFSA-N 1 1 311.473 3.713 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c(F)c1 ZINC000304096522 1018738502 /nfs/dbraw/zinc/73/85/02/1018738502.db2.gz FJCDBAHRCWGWRH-HXUWFJFHSA-N 1 1 324.399 3.569 20 30 DHEDMO Cc1cccc2c1CC[C@H]([N@H+]1CCc3ccc(C#N)cc3C1)C2 ZINC001171565184 1032783886 /nfs/dbraw/zinc/78/38/86/1032783886.db2.gz MGMAVHAPFWEQEC-FQEVSTJZSA-N 1 1 302.421 3.782 20 30 DHEDMO N#Cc1ccc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(F)c1 ZINC000278585923 1018873822 /nfs/dbraw/zinc/87/38/22/1018873822.db2.gz DBJLNQFSKSBWBH-UHFFFAOYSA-N 1 1 324.403 3.614 20 30 DHEDMO C=CCCC[N@H+](C)Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000282526954 1018876713 /nfs/dbraw/zinc/87/67/13/1018876713.db2.gz PWCMUGDMLDRWMG-UHFFFAOYSA-N 1 1 311.451 3.888 20 30 DHEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000450676135 1018905318 /nfs/dbraw/zinc/90/53/18/1018905318.db2.gz PQRKHBDIFSZLEH-LBPRGKRZSA-N 1 1 312.335 3.972 20 30 DHEDMO CO[C@@H](C)c1nc(C[NH2+]Cc2c(C)cc(C#N)cc2C)cs1 ZINC000921825625 1018917152 /nfs/dbraw/zinc/91/71/52/1018917152.db2.gz VSLJDQGHIMLFFG-ZDUSSCGKSA-N 1 1 315.442 3.629 20 30 DHEDMO CC(C)[C@H]([NH2+]Cc1csc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000921528518 1018929073 /nfs/dbraw/zinc/92/90/73/1018929073.db2.gz VYYKSTYALDZUPE-INIZCTEOSA-N 1 1 310.426 3.983 20 30 DHEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075767270 1019048031 /nfs/dbraw/zinc/04/80/31/1019048031.db2.gz ZRORHCMIKWQIPN-UONOGXRCSA-N 1 1 310.401 3.619 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](C)NC(=O)OC(C)(C)C ZINC000785438748 1019064790 /nfs/dbraw/zinc/06/47/90/1019064790.db2.gz IFWAQIQPGHHOJF-ZDUSSCGKSA-N 1 1 310.463 3.649 20 30 DHEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000135249421 1019076039 /nfs/dbraw/zinc/07/60/39/1019076039.db2.gz IDUNOFBHQLAASM-VQIMIIECSA-N 1 1 313.489 3.650 20 30 DHEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000135249421 1019076055 /nfs/dbraw/zinc/07/60/55/1019076055.db2.gz IDUNOFBHQLAASM-VQIMIIECSA-N 1 1 313.489 3.650 20 30 DHEDMO Cc1cc(C)c(COC(=O)[C@]2(C#N)CC3CCC2CC3)c(C)[nH+]1 ZINC000923263632 1019094570 /nfs/dbraw/zinc/09/45/70/1019094570.db2.gz QSXBFKNNXFYYJT-RJYAGPCLSA-N 1 1 312.413 3.770 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ncccc2C#N)cc1 ZINC000080914775 1019118546 /nfs/dbraw/zinc/11/85/46/1019118546.db2.gz PZIFVGNTWAWPGQ-CYBMUJFWSA-N 1 1 303.369 3.621 20 30 DHEDMO CC(C)C[C@@H]1CCCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000077364448 1019293705 /nfs/dbraw/zinc/29/37/05/1019293705.db2.gz IDQJGPRQGAKHKB-HNNXBMFYSA-N 1 1 319.474 3.849 20 30 DHEDMO Cc1ccccc1[C@H]([C@H](C)NCc1csc(C#N)c1)[NH+](C)C ZINC000922040674 1019358373 /nfs/dbraw/zinc/35/83/73/1019358373.db2.gz NUZYPKRHYUJVQC-KSSFIOAISA-N 1 1 313.470 3.709 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3C3CCCCC3)n2c1 ZINC000153475880 1019380280 /nfs/dbraw/zinc/38/02/80/1019380280.db2.gz NIOBPYMUICMOTN-GOSISDBHSA-N 1 1 308.429 3.751 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000611235366 1019415329 /nfs/dbraw/zinc/41/53/29/1019415329.db2.gz HFFRKMOIUZNSNF-FQEVSTJZSA-N 1 1 322.408 3.530 20 30 DHEDMO C=CC[N@H+](Cc1[nH]nc2ccccc21)Cc1cccc(C#N)c1 ZINC000611264982 1019426791 /nfs/dbraw/zinc/42/67/91/1019426791.db2.gz DRGDWPMTRWLZLQ-UHFFFAOYSA-N 1 1 302.381 3.623 20 30 DHEDMO C=CC[N@@H+](Cc1[nH]nc2ccccc21)Cc1cccc(C#N)c1 ZINC000611264982 1019426803 /nfs/dbraw/zinc/42/68/03/1019426803.db2.gz DRGDWPMTRWLZLQ-UHFFFAOYSA-N 1 1 302.381 3.623 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](C)CC2)c1C#N ZINC000611346319 1019453574 /nfs/dbraw/zinc/45/35/74/1019453574.db2.gz PPSKHVSPUWQZIF-HNNXBMFYSA-N 1 1 308.429 3.674 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](C)CC2)c1C#N ZINC000611346319 1019453575 /nfs/dbraw/zinc/45/35/75/1019453575.db2.gz PPSKHVSPUWQZIF-HNNXBMFYSA-N 1 1 308.429 3.674 20 30 DHEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611349476 1019456346 /nfs/dbraw/zinc/45/63/46/1019456346.db2.gz QASNQVZEIFVCAR-HOCLYGCPSA-N 1 1 308.429 3.815 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c1C#N ZINC000611349323 1019457282 /nfs/dbraw/zinc/45/72/82/1019457282.db2.gz BYXMQJMPPPTYPS-HUUCEWRRSA-N 1 1 308.429 3.530 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c1C#N ZINC000611349323 1019457289 /nfs/dbraw/zinc/45/72/89/1019457289.db2.gz BYXMQJMPPPTYPS-HUUCEWRRSA-N 1 1 308.429 3.530 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1C#N ZINC000611348306 1019457339 /nfs/dbraw/zinc/45/73/39/1019457339.db2.gz URSZYSJXWJSMCP-LPHOPBHVSA-N 1 1 320.440 3.817 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1C#N ZINC000611348306 1019457349 /nfs/dbraw/zinc/45/73/49/1019457349.db2.gz URSZYSJXWJSMCP-LPHOPBHVSA-N 1 1 320.440 3.817 20 30 DHEDMO COC(=O)c1oc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1C ZINC000611386091 1019463457 /nfs/dbraw/zinc/46/34/57/1019463457.db2.gz CGIOKBONJPNZAQ-OLZOCXBDSA-N 1 1 312.369 3.658 20 30 DHEDMO C[N@H+](CCCc1cc(-c2ccc(F)cc2)no1)CC1(C#N)CC1 ZINC000611429358 1019479749 /nfs/dbraw/zinc/47/97/49/1019479749.db2.gz DUEQFXOYPPUXLS-UHFFFAOYSA-N 1 1 313.376 3.649 20 30 DHEDMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)no1)CC1(C#N)CC1 ZINC000611429358 1019479760 /nfs/dbraw/zinc/47/97/60/1019479760.db2.gz DUEQFXOYPPUXLS-UHFFFAOYSA-N 1 1 313.376 3.649 20 30 DHEDMO C[C@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)c1cccc(C#N)c1 ZINC000611469137 1019495737 /nfs/dbraw/zinc/49/57/37/1019495737.db2.gz BUIYUFFLMVDSSH-AWEZNQCLSA-N 1 1 320.371 3.734 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000091959760 1019497026 /nfs/dbraw/zinc/49/70/26/1019497026.db2.gz JXBDXKNHSUMCQV-APWZRJJASA-N 1 1 311.429 3.531 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000114468572 1019512176 /nfs/dbraw/zinc/51/21/76/1019512176.db2.gz NTNSXMUSSKQURB-HXUWFJFHSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000114468572 1019512182 /nfs/dbraw/zinc/51/21/82/1019512182.db2.gz NTNSXMUSSKQURB-HXUWFJFHSA-N 1 1 324.399 3.569 20 30 DHEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000671699785 1019513465 /nfs/dbraw/zinc/51/34/65/1019513465.db2.gz UAKKHCXVKMWGKF-GDBMZVCRSA-N 1 1 313.363 3.822 20 30 DHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCOc1ccccc1C#N ZINC000611555308 1019514119 /nfs/dbraw/zinc/51/41/19/1019514119.db2.gz WJYRTIPHTBLAJL-GXTWGEPZSA-N 1 1 312.335 3.600 20 30 DHEDMO CC(C)c1cc(C[NH2+]Cc2cccc(OCCCC#N)c2)on1 ZINC000114509903 1019519209 /nfs/dbraw/zinc/51/92/09/1019519209.db2.gz HTRLFIQTNSHLTL-UHFFFAOYSA-N 1 1 313.401 3.770 20 30 DHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cccc(C#N)c3)c2C1 ZINC000066515212 1019564128 /nfs/dbraw/zinc/56/41/28/1019564128.db2.gz BWPGZFQGGZQJSC-UHFFFAOYSA-N 1 1 305.381 3.536 20 30 DHEDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cccc(C#N)c3)c2C1 ZINC000066515212 1019564137 /nfs/dbraw/zinc/56/41/37/1019564137.db2.gz BWPGZFQGGZQJSC-UHFFFAOYSA-N 1 1 305.381 3.536 20 30 DHEDMO C[C@@H]1C[C@@H](N[C@@H](C#N)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001171721376 1032842352 /nfs/dbraw/zinc/84/23/52/1032842352.db2.gz QFNYXQUJHBLJHX-AHRSYUTCSA-N 1 1 305.425 3.504 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000370096626 1019663484 /nfs/dbraw/zinc/66/34/84/1019663484.db2.gz FRLWBDHOGSKRGH-LAUBAEHRSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000370096626 1019663489 /nfs/dbraw/zinc/66/34/89/1019663489.db2.gz FRLWBDHOGSKRGH-LAUBAEHRSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@@H]1C[C@H](N[C@H](C#N)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC001171730023 1032846972 /nfs/dbraw/zinc/84/69/72/1032846972.db2.gz WUTPKHSOGFBATQ-UIAACRFSSA-N 1 1 323.415 3.643 20 30 DHEDMO C=CCNC(=O)C[N@H+]([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000166223942 1019702098 /nfs/dbraw/zinc/70/20/98/1019702098.db2.gz NFCPHZLWWIBJAL-OAHLLOKOSA-N 1 1 308.425 3.667 20 30 DHEDMO Cc1[nH]c2ccc(Nc3c(C#N)cnn3-c3ccccc3)cc2[nH+]1 ZINC001213071116 1019719705 /nfs/dbraw/zinc/71/97/05/1019719705.db2.gz AKEJNFDYRNPEQT-UHFFFAOYSA-N 1 1 314.352 3.672 20 30 DHEDMO C[C@@H]([NH2+][C@@H](C)CC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000068608845 1019912999 /nfs/dbraw/zinc/91/29/99/1019912999.db2.gz GWZIWXSJMZJXNA-LSDHHAIUSA-N 1 1 307.397 3.892 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000128281919 1019928874 /nfs/dbraw/zinc/92/88/74/1019928874.db2.gz BBLXXQSSZCNQKC-MRXNPFEDSA-N 1 1 311.454 3.721 20 30 DHEDMO Cc1[nH+]ccn1CCCSc1nc2c(cc1C#N)CCCC2 ZINC000264147692 1032862667 /nfs/dbraw/zinc/86/26/67/1032862667.db2.gz KKSMSWHKCJDWRK-UHFFFAOYSA-N 1 1 312.442 3.519 20 30 DHEDMO C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000650861771 1019996343 /nfs/dbraw/zinc/99/63/43/1019996343.db2.gz WORXNVRNLSHROF-HXUWFJFHSA-N 1 1 312.457 3.536 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1noc2c1CC(C)(C)CC2 ZINC000922324489 1020003693 /nfs/dbraw/zinc/00/36/93/1020003693.db2.gz WHIVENCKMGHEFI-UHFFFAOYSA-N 1 1 323.440 3.968 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(F)c(F)c1 ZINC000657983072 1020068207 /nfs/dbraw/zinc/06/82/07/1020068207.db2.gz QZLGSGZFJJWYQW-RDJZCZTQSA-N 1 1 303.356 3.903 20 30 DHEDMO CCC(CC)C[N@@H+](CC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075625975 1020166358 /nfs/dbraw/zinc/16/63/58/1020166358.db2.gz NFSAJELCYAAZCD-UHFFFAOYSA-N 1 1 312.417 3.866 20 30 DHEDMO CC[NH+](CC)[C@H](C(=O)OCc1cccc(C#N)c1)c1ccccc1 ZINC000731907082 1020170412 /nfs/dbraw/zinc/17/04/12/1020170412.db2.gz DYGNFADOSDLJSZ-IBGZPJMESA-N 1 1 322.408 3.685 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2cc(C#N)ccc2OC)C2CC2)cc1 ZINC000155014393 1020179730 /nfs/dbraw/zinc/17/97/30/1020179730.db2.gz VUVUAUDNFSCENL-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](O)c1ccc(C#N)cc1 ZINC000282392264 1020297899 /nfs/dbraw/zinc/29/78/99/1020297899.db2.gz GWKDNSFGLWUMAC-FQEVSTJZSA-N 1 1 324.424 3.600 20 30 DHEDMO COc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)c(OC)c1 ZINC000130587964 1032891063 /nfs/dbraw/zinc/89/10/63/1032891063.db2.gz JZRZHKAICXDNKO-GOSISDBHSA-N 1 1 310.397 3.838 20 30 DHEDMO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCOCCC#N ZINC000338889354 1020337555 /nfs/dbraw/zinc/33/75/55/1020337555.db2.gz DOWFCJTTZVMCLQ-LLVKDONJSA-N 1 1 301.217 3.916 20 30 DHEDMO CC[N@@H+](Cc1cn2ccccc2n1)[C@H](C)c1ccc(C#N)cc1 ZINC000125758628 1020344956 /nfs/dbraw/zinc/34/49/56/1020344956.db2.gz CAWNBSZEFDQYOI-OAHLLOKOSA-N 1 1 304.397 3.789 20 30 DHEDMO Cc1ccnc(NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000310411470 1020397965 /nfs/dbraw/zinc/39/79/65/1020397965.db2.gz WWCSTBLRPLYSEF-FQEVSTJZSA-N 1 1 320.440 3.586 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC001171840552 1032901833 /nfs/dbraw/zinc/90/18/33/1032901833.db2.gz FDCFMMXMEABOSN-YOEHRIQHSA-N 1 1 318.848 3.733 20 30 DHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc3nc[nH]c3c2)c1 ZINC000733800476 1020448531 /nfs/dbraw/zinc/44/85/31/1020448531.db2.gz VEDWLWNVYJGPIO-INIZCTEOSA-N 1 1 320.396 3.534 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC001171848109 1032902188 /nfs/dbraw/zinc/90/21/88/1032902188.db2.gz YVFAXYRHSQHPPY-AWEZNQCLSA-N 1 1 316.836 3.709 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](Cc3cccc4cc[nH]c43)CCO2)c1 ZINC000355135611 1020469456 /nfs/dbraw/zinc/46/94/56/1020469456.db2.gz OOXMGEMWZMDAIZ-IBGZPJMESA-N 1 1 317.392 3.613 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cccc4cc[nH]c43)CCO2)c1 ZINC000355135611 1020469462 /nfs/dbraw/zinc/46/94/62/1020469462.db2.gz OOXMGEMWZMDAIZ-IBGZPJMESA-N 1 1 317.392 3.613 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000537721962 1032904111 /nfs/dbraw/zinc/90/41/11/1032904111.db2.gz UKQWKNJDIBDNGM-UHFFFAOYSA-N 1 1 316.404 3.782 20 30 DHEDMO CCC[N@H+](CC(=O)c1cc(C)[nH]c1C)Cc1ccc(C#N)cc1 ZINC000348020309 1020477024 /nfs/dbraw/zinc/47/70/24/1020477024.db2.gz CZCWMZPZTLLDAL-UHFFFAOYSA-N 1 1 309.413 3.598 20 30 DHEDMO CCC[N@@H+](CC(=O)c1cc(C)[nH]c1C)Cc1ccc(C#N)cc1 ZINC000348020309 1020477031 /nfs/dbraw/zinc/47/70/31/1020477031.db2.gz CZCWMZPZTLLDAL-UHFFFAOYSA-N 1 1 309.413 3.598 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cc(Cl)ccc3N)sc2C1 ZINC001212426981 1020481984 /nfs/dbraw/zinc/48/19/84/1020481984.db2.gz AMBLLCXGYREKET-UHFFFAOYSA-N 1 1 318.833 3.587 20 30 DHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]3C3CCCC3)o2)c1 ZINC000075644501 1020499789 /nfs/dbraw/zinc/49/97/89/1020499789.db2.gz WFQWBXRYOYKUHY-QGZVFWFLSA-N 1 1 322.412 3.763 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+]([C@@H](C)c2ccc(Cl)cc2)C2CC2)C1=O ZINC000337166261 1032909486 /nfs/dbraw/zinc/90/94/86/1032909486.db2.gz ZHDKJCAOKIWEJW-SUMWQHHRSA-N 1 1 318.848 3.652 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171897925 1032911766 /nfs/dbraw/zinc/91/17/66/1032911766.db2.gz ARFKDVBGFGZMJA-SFHVURJKSA-N 1 1 300.446 3.579 20 30 DHEDMO C[C@H](NN=C1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000734365659 1020595862 /nfs/dbraw/zinc/59/58/62/1020595862.db2.gz OVTJRSBAYBETCW-SJORKVTESA-N 1 1 322.456 3.630 20 30 DHEDMO C[N@H+](CCC(=O)c1ccccc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754872 1020652470 /nfs/dbraw/zinc/65/24/70/1020652470.db2.gz MHFUBADKOJTVMX-UHFFFAOYSA-N 1 1 314.335 3.541 20 30 DHEDMO C[N@@H+](CCC(=O)c1ccccc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754872 1020652474 /nfs/dbraw/zinc/65/24/74/1020652474.db2.gz MHFUBADKOJTVMX-UHFFFAOYSA-N 1 1 314.335 3.541 20 30 DHEDMO Cc1ccc(F)c(C[N@@H+](C)CCCC2(C#N)CCOCC2)c1 ZINC000337205368 1032921202 /nfs/dbraw/zinc/92/12/02/1032921202.db2.gz KLNLWSFNCQWNPR-UHFFFAOYSA-N 1 1 304.409 3.667 20 30 DHEDMO CC[N@@H+](CCC1CCN(c2ccc(C#N)cc2)CC1)CC1CC1 ZINC000537826883 1032923345 /nfs/dbraw/zinc/92/33/45/1032923345.db2.gz YFJPHLFWXHVCPK-UHFFFAOYSA-N 1 1 311.473 3.897 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCCOC(C)(C)C2)c1O ZINC000735297355 1020715523 /nfs/dbraw/zinc/71/55/23/1020715523.db2.gz GCAGDPVAHPCBGE-UHFFFAOYSA-N 1 1 319.445 3.520 20 30 DHEDMO Cc1cc(C[N@H+](CCC#N)CC2CC2)ccc1Br ZINC000337240767 1032926664 /nfs/dbraw/zinc/92/66/64/1032926664.db2.gz FNMKSSYMOSFOHL-UHFFFAOYSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1cc(C[N@@H+](CCC#N)CC2CC2)ccc1Br ZINC000337240767 1032926673 /nfs/dbraw/zinc/92/66/73/1032926673.db2.gz FNMKSSYMOSFOHL-UHFFFAOYSA-N 1 1 307.235 3.883 20 30 DHEDMO N#Cc1c(C(F)F)cccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000580681787 1020855277 /nfs/dbraw/zinc/85/52/77/1020855277.db2.gz WYPCDZRMGZOHTD-UHFFFAOYSA-N 1 1 319.399 3.951 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCCC[C@H]2[C@@H](C)CC)c1=S ZINC000738054952 1020859855 /nfs/dbraw/zinc/85/98/55/1020859855.db2.gz LODJYSBELYWYSF-ZFWWWQNUSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCCC[C@H]2[C@@H](C)CC)c1=S ZINC000738054952 1020859863 /nfs/dbraw/zinc/85/98/63/1020859863.db2.gz LODJYSBELYWYSF-ZFWWWQNUSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCSC[C@@H]1C ZINC000738279302 1020867585 /nfs/dbraw/zinc/86/75/85/1020867585.db2.gz XLLDECHLGSCRBA-ZDUSSCGKSA-N 1 1 319.499 3.709 20 30 DHEDMO CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1Cl ZINC000582390143 1020934943 /nfs/dbraw/zinc/93/49/43/1020934943.db2.gz UKIBASSUNMZVKS-KGLIPLIRSA-N 1 1 307.869 3.983 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000613474155 1020982230 /nfs/dbraw/zinc/98/22/30/1020982230.db2.gz PZMWPWIEWBRIFK-IBGZPJMESA-N 1 1 314.473 3.508 20 30 DHEDMO COc1cc(C[N@@H+](C)CCC(C)(C)C#N)c(SC)cc1OC ZINC000131685287 1032943657 /nfs/dbraw/zinc/94/36/57/1032943657.db2.gz AISLHDAAQMRJDN-UHFFFAOYSA-N 1 1 322.474 3.797 20 30 DHEDMO C=CCCCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000741327353 1021001178 /nfs/dbraw/zinc/00/11/78/1021001178.db2.gz GSBMQEMUTUMQBA-MRXNPFEDSA-N 1 1 305.393 3.547 20 30 DHEDMO C=CCCCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000741327352 1021001845 /nfs/dbraw/zinc/00/18/45/1021001845.db2.gz GSBMQEMUTUMQBA-INIZCTEOSA-N 1 1 305.393 3.547 20 30 DHEDMO CC(C)c1ccccc1NC(=S)NN=C1CC[N@@H+](C)[C@@H](C)C1 ZINC000741465182 1021009339 /nfs/dbraw/zinc/00/93/39/1021009339.db2.gz XKCHVZPZFSNLII-ZDUSSCGKSA-N 1 1 318.490 3.567 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCCO1 ZINC000170768435 1021021774 /nfs/dbraw/zinc/02/17/74/1021021774.db2.gz GHBUUQRWOGQOIF-MRXNPFEDSA-N 1 1 306.409 3.836 20 30 DHEDMO CC1(C)C[C@H](N(CCC#N)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC001171989162 1032949876 /nfs/dbraw/zinc/94/98/76/1032949876.db2.gz ZDIZAJJKTXRIRM-LJQANCHMSA-N 1 1 324.472 3.559 20 30 DHEDMO Cc1ccnn1C1CC[NH+](Cc2cccc(C#N)c2Cl)CC1 ZINC001140814097 1021038480 /nfs/dbraw/zinc/03/84/80/1021038480.db2.gz BPLNSXGQKPGQTA-UHFFFAOYSA-N 1 1 314.820 3.554 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000829785358 1021048233 /nfs/dbraw/zinc/04/82/33/1021048233.db2.gz UWURLDMCCKZKDM-HNNXBMFYSA-N 1 1 316.470 3.696 20 30 DHEDMO CC(=O)C=C(C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171968782 1032954062 /nfs/dbraw/zinc/95/40/62/1032954062.db2.gz RGPZKEGEMSYAGC-WTQUMQLASA-N 1 1 300.446 3.512 20 30 DHEDMO CC(C)(C)c1ncc(C[NH2+]Cc2cc(C#N)ccc2F)s1 ZINC000742381938 1021109444 /nfs/dbraw/zinc/10/94/44/1021109444.db2.gz UCRSNPWFYFOJLG-UHFFFAOYSA-N 1 1 303.406 3.741 20 30 DHEDMO CC(C)[C@@](C)(C#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171971757 1032957909 /nfs/dbraw/zinc/95/79/09/1032957909.db2.gz JUZULYQWALNCFS-UYAOXDASSA-N 1 1 313.489 3.957 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1cccc(F)c1C#N ZINC000301368549 1021207479 /nfs/dbraw/zinc/20/74/79/1021207479.db2.gz RRRYBFNOJPQBHU-MRXNPFEDSA-N 1 1 323.415 3.798 20 30 DHEDMO CC(C)C[C@H](C#N)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976069 1032962247 /nfs/dbraw/zinc/96/22/47/1032962247.db2.gz PATKOUJYAVYWJA-RBUKOAKNSA-N 1 1 313.489 3.957 20 30 DHEDMO COc1ccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1F ZINC000120143999 1021233236 /nfs/dbraw/zinc/23/32/36/1021233236.db2.gz APESBAAFNKLRHT-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C(C)C ZINC000917520866 1021281063 /nfs/dbraw/zinc/28/10/63/1021281063.db2.gz WWYOYLJDFHOUDT-UHFFFAOYSA-N 1 1 300.446 3.709 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCCC(F)(F)CC2)cc(OC)c1O ZINC000628422090 1021291077 /nfs/dbraw/zinc/29/10/77/1021291077.db2.gz MOTDDHHBCOJXTO-UHFFFAOYSA-N 1 1 311.372 3.751 20 30 DHEDMO C[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C[N@H+]1C1CC1 ZINC000618197822 1021323628 /nfs/dbraw/zinc/32/36/28/1021323628.db2.gz CVHQQRDYDGUCIF-GXFFZTMASA-N 1 1 309.335 3.614 20 30 DHEDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000618288420 1021347518 /nfs/dbraw/zinc/34/75/18/1021347518.db2.gz HCERLDDLJSLEMR-MRXNPFEDSA-N 1 1 308.466 3.762 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCOC2CC2)Cc2cccc(F)c2)cc1 ZINC001167709444 1021364800 /nfs/dbraw/zinc/36/48/00/1021364800.db2.gz XJWFJLRQKWIONN-UHFFFAOYSA-N 1 1 324.399 3.879 20 30 DHEDMO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccccc1Br ZINC000189582129 1021370639 /nfs/dbraw/zinc/37/06/39/1021370639.db2.gz PVXVZZKSRLWTTH-LLVKDONJSA-N 1 1 318.218 3.510 20 30 DHEDMO CC[N@H+](Cc1cc(C#N)ccc1F)C[C@@H](O)c1ccc(C)cc1 ZINC000743866113 1021394161 /nfs/dbraw/zinc/39/41/61/1021394161.db2.gz GZMSLATYCNZGCH-LJQANCHMSA-N 1 1 312.388 3.561 20 30 DHEDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000189721629 1021428862 /nfs/dbraw/zinc/42/88/62/1021428862.db2.gz VLCFRNGQGSVCGC-FQEVSTJZSA-N 1 1 308.425 3.721 20 30 DHEDMO COCC[N@@H+](Cc1ccc(OCC#N)cc1)[C@H](C)c1ccccc1 ZINC000264568753 1032979874 /nfs/dbraw/zinc/97/98/74/1032979874.db2.gz QOSUYJIMVFSENS-QGZVFWFLSA-N 1 1 324.424 3.799 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1O)CCC2 ZINC000744146846 1021448308 /nfs/dbraw/zinc/44/83/08/1021448308.db2.gz WTCLNRBTEQLYGJ-UHFFFAOYSA-N 1 1 309.384 3.655 20 30 DHEDMO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000744200169 1021468202 /nfs/dbraw/zinc/46/82/02/1021468202.db2.gz GJIQSYKYIYKKCK-HXUWFJFHSA-N 1 1 322.408 3.870 20 30 DHEDMO C#CC[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)C1CCCCC1 ZINC000744212561 1021470159 /nfs/dbraw/zinc/47/01/59/1021470159.db2.gz MKEYZUMAZKTJBK-UHFFFAOYSA-N 1 1 313.376 3.644 20 30 DHEDMO C#CC[N@H+](Cc1nc(-c2ccc(F)cc2)no1)C1CCCCC1 ZINC000744212561 1021470179 /nfs/dbraw/zinc/47/01/79/1021470179.db2.gz MKEYZUMAZKTJBK-UHFFFAOYSA-N 1 1 313.376 3.644 20 30 DHEDMO C=CCOc1ccc(CNCC[N@H+]2CCC[C@H](C)C2)cc1Cl ZINC000589641206 1021471666 /nfs/dbraw/zinc/47/16/66/1021471666.db2.gz XYANYFOGHRIJIT-HNNXBMFYSA-N 1 1 322.880 3.726 20 30 DHEDMO C=CCOc1ccc(CNCC[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000589641206 1021471672 /nfs/dbraw/zinc/47/16/72/1021471672.db2.gz XYANYFOGHRIJIT-HNNXBMFYSA-N 1 1 322.880 3.726 20 30 DHEDMO N#CC1(c2ccc(C[NH2+]Cc3cc(F)cnc3Cl)cc2)CC1 ZINC000850312146 1021473011 /nfs/dbraw/zinc/47/30/11/1021473011.db2.gz AWVKRCUYOMUNTC-UHFFFAOYSA-N 1 1 315.779 3.719 20 30 DHEDMO CC(C)(S)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172077273 1032982594 /nfs/dbraw/zinc/98/25/94/1032982594.db2.gz QNUBPJQWKALPSC-NNZMDNLPSA-N 1 1 318.530 3.870 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](COC)C2)cc1Cl ZINC000093337386 1021563366 /nfs/dbraw/zinc/56/33/66/1021563366.db2.gz XDCGBWALTVUKMW-HNNXBMFYSA-N 1 1 309.837 3.763 20 30 DHEDMO N#CCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172065648 1032989451 /nfs/dbraw/zinc/98/94/51/1032989451.db2.gz PTMJWCHESGVYMU-ACDBMABISA-N 1 1 311.473 3.856 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000093643742 1021639528 /nfs/dbraw/zinc/63/95/28/1021639528.db2.gz DLKGZWMPHFWMET-HOCLYGCPSA-N 1 1 322.880 3.819 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1Cl ZINC000093643742 1021639536 /nfs/dbraw/zinc/63/95/36/1021639536.db2.gz DLKGZWMPHFWMET-HOCLYGCPSA-N 1 1 322.880 3.819 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1Cl ZINC000093643742 1021639547 /nfs/dbraw/zinc/63/95/47/1021639547.db2.gz DLKGZWMPHFWMET-HOCLYGCPSA-N 1 1 322.880 3.819 20 30 DHEDMO CC(C)(C)[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000619179504 1021672161 /nfs/dbraw/zinc/67/21/61/1021672161.db2.gz QXRWKHWGAUACBA-QGZVFWFLSA-N 1 1 300.446 3.735 20 30 DHEDMO C[C@H]1C[C@@H](NCC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379653119 1021676560 /nfs/dbraw/zinc/67/65/60/1021676560.db2.gz YUSGSNXVIMMLSL-UGKGYDQZSA-N 1 1 318.464 3.681 20 30 DHEDMO C[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)CCN1Cc1ccccc1 ZINC000379653119 1021676573 /nfs/dbraw/zinc/67/65/73/1021676573.db2.gz YUSGSNXVIMMLSL-UGKGYDQZSA-N 1 1 318.464 3.681 20 30 DHEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173190524 1021751543 /nfs/dbraw/zinc/75/15/43/1021751543.db2.gz BCWFBIQWDTYGQV-XJKSGUPXSA-N 1 1 310.401 3.619 20 30 DHEDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000619512842 1021775200 /nfs/dbraw/zinc/77/52/00/1021775200.db2.gz CHVDSUFWEFWWNK-LJQANCHMSA-N 1 1 300.446 3.879 20 30 DHEDMO C=CCc1cc(C)c[nH+]c1NC1CC(C)(C)N(O)C(C)(C)C1 ZINC001167720242 1021779605 /nfs/dbraw/zinc/77/96/05/1021779605.db2.gz WFXPYZNMQPVSQC-UHFFFAOYSA-N 1 1 303.450 3.941 20 30 DHEDMO C=CC[N@H+](CCC1(OC)CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000338933870 1021815632 /nfs/dbraw/zinc/81/56/32/1021815632.db2.gz OIDDCIPPYKCSIF-UHFFFAOYSA-N 1 1 304.390 3.542 20 30 DHEDMO N#CCSCCC[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000745982456 1021819130 /nfs/dbraw/zinc/81/91/30/1021819130.db2.gz PEIQYDLEJAXPII-UHFFFAOYSA-N 1 1 311.454 3.904 20 30 DHEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(C#N)cc1 ZINC000194989339 1021827669 /nfs/dbraw/zinc/82/76/69/1021827669.db2.gz ZPVJNPCQQCLHHW-UHFFFAOYSA-N 1 1 321.424 3.636 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc(C#N)cc1 ZINC000194989339 1021827694 /nfs/dbraw/zinc/82/76/94/1021827694.db2.gz ZPVJNPCQQCLHHW-UHFFFAOYSA-N 1 1 321.424 3.636 20 30 DHEDMO CCC[N@@H+](Cc1cnn(CC(C)C)c1)Cc1ccc(C#N)cc1 ZINC000183080318 1021959671 /nfs/dbraw/zinc/95/96/71/1021959671.db2.gz CNJAMBXJOAOAOI-UHFFFAOYSA-N 1 1 310.445 3.823 20 30 DHEDMO N#CCCOCC[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000338940955 1021966888 /nfs/dbraw/zinc/96/68/88/1021966888.db2.gz NGAGUIKESFWVOJ-UHFFFAOYSA-N 1 1 306.409 3.859 20 30 DHEDMO C=CCCOCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000620194866 1022079279 /nfs/dbraw/zinc/07/92/79/1022079279.db2.gz YVHLYFASDFWENJ-INIZCTEOSA-N 1 1 316.445 3.592 20 30 DHEDMO CCS[C@@H]1CCCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000481082718 1022105280 /nfs/dbraw/zinc/10/52/80/1022105280.db2.gz XEMDWYJUKMCVMT-QGZVFWFLSA-N 1 1 304.459 3.545 20 30 DHEDMO CCc1ccccc1CC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331973 1022107637 /nfs/dbraw/zinc/10/76/37/1022107637.db2.gz FGDWMDDCKDPLJR-OAQYLSRUSA-N 1 1 319.452 3.744 20 30 DHEDMO CCc1ccccc1CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331973 1022107642 /nfs/dbraw/zinc/10/76/42/1022107642.db2.gz FGDWMDDCKDPLJR-OAQYLSRUSA-N 1 1 319.452 3.744 20 30 DHEDMO C#CC[N@@H+](CC)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000746457372 1022108805 /nfs/dbraw/zinc/10/88/05/1022108805.db2.gz BOLXXLFSRPAUKK-UHFFFAOYSA-N 1 1 314.816 3.769 20 30 DHEDMO C#CC[N@H+](CC)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000746457372 1022108813 /nfs/dbraw/zinc/10/88/13/1022108813.db2.gz BOLXXLFSRPAUKK-UHFFFAOYSA-N 1 1 314.816 3.769 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000620309316 1022119476 /nfs/dbraw/zinc/11/94/76/1022119476.db2.gz NQDUUCUOUJOXKN-HSALFYBXSA-N 1 1 324.468 3.751 20 30 DHEDMO COc1cccc2cc(C[N@@H+](C)Cc3cccc(C#N)c3)oc21 ZINC000920488889 1022126945 /nfs/dbraw/zinc/12/69/45/1022126945.db2.gz BSIIMLOAHUPEIJ-UHFFFAOYSA-N 1 1 306.365 3.945 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NC2COC(C)(C)OC2)cc1 ZINC001168909085 1022180291 /nfs/dbraw/zinc/18/02/91/1022180291.db2.gz REQZJSLGHGIGIL-SFHVURJKSA-N 1 1 316.445 3.573 20 30 DHEDMO C=CCCC[N@H+](C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000153981211 1022267241 /nfs/dbraw/zinc/26/72/41/1022267241.db2.gz UGSPGUFBMJQOGZ-AWEZNQCLSA-N 1 1 301.352 3.507 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@@H+](CC)C[C@@H](C)CC)c1=S ZINC000174948719 1022270828 /nfs/dbraw/zinc/27/08/28/1022270828.db2.gz UVSVDFSYOHUOTN-ZDUSSCGKSA-N 1 1 308.495 3.803 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@H+](CC)C[C@@H](C)CC)c1=S ZINC000174948719 1022270831 /nfs/dbraw/zinc/27/08/31/1022270831.db2.gz UVSVDFSYOHUOTN-ZDUSSCGKSA-N 1 1 308.495 3.803 20 30 DHEDMO C#Cc1cccnc1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000853421491 1022271035 /nfs/dbraw/zinc/27/10/35/1022271035.db2.gz ZTMXKWMRVGOFMM-VQIMIIECSA-N 1 1 305.425 3.528 20 30 DHEDMO Clc1ccc2nc(N=NC3CC[N@H+]4CCC[C@@H]34)sc2c1 ZINC000853438910 1022272993 /nfs/dbraw/zinc/27/29/93/1022272993.db2.gz SOBYWKNOQSXZCB-LBPRGKRZSA-N 1 1 306.822 3.586 20 30 DHEDMO C=C1CC(C(=O)N2CC3(C2)CC[N@H+](C[C@@H](CC)CCCC)C3)C1 ZINC001272708701 1022274033 /nfs/dbraw/zinc/27/40/33/1022274033.db2.gz BEARHNGXOBDSFG-KRWDZBQOSA-N 1 1 318.505 3.703 20 30 DHEDMO CC(C)[N@@H+](C)CC1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000609560438 1022301129 /nfs/dbraw/zinc/30/11/29/1022301129.db2.gz VRBNYEDBVQQFKO-UHFFFAOYSA-N 1 1 305.853 3.768 20 30 DHEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CCOc1ccccc1C#N ZINC000609625758 1022317484 /nfs/dbraw/zinc/31/74/84/1022317484.db2.gz YUKFZXXQTDJYCZ-LJQANCHMSA-N 1 1 306.409 3.946 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](C)CC/C=C\c1ccc(Br)cc1 ZINC000609766361 1022350494 /nfs/dbraw/zinc/35/04/94/1022350494.db2.gz CZVSEAFIZXSTRB-DXTPNHAXSA-N 1 1 307.235 3.944 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000609800789 1022354204 /nfs/dbraw/zinc/35/42/04/1022354204.db2.gz TWBYVQCINLDEMO-GOSISDBHSA-N 1 1 312.413 3.987 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000609800789 1022354216 /nfs/dbraw/zinc/35/42/16/1022354216.db2.gz TWBYVQCINLDEMO-GOSISDBHSA-N 1 1 312.413 3.987 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000610132559 1022424965 /nfs/dbraw/zinc/42/49/65/1022424965.db2.gz ABCQZYMQMSTJFB-MRXNPFEDSA-N 1 1 316.445 3.846 20 30 DHEDMO CC[NH+](CC)[C@@H](CNCc1ccc(C#N)cc1)c1ccccc1 ZINC000236845585 1022469207 /nfs/dbraw/zinc/46/92/07/1022469207.db2.gz MGGIQHWAVOLQSZ-FQEVSTJZSA-N 1 1 307.441 3.731 20 30 DHEDMO CCCCCCCC[C@@H](C)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000854605029 1022501495 /nfs/dbraw/zinc/50/14/95/1022501495.db2.gz GQWZVECMESBUNJ-IEBWSBKVSA-N 1 1 308.510 3.927 20 30 DHEDMO C=CCCCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783096 1022544426 /nfs/dbraw/zinc/54/44/26/1022544426.db2.gz VQPFAYJHGCXDPT-SFHVURJKSA-N 1 1 300.446 3.579 20 30 DHEDMO C=CC[C@H]1[N@H+](CCOc2ccc3c(c2)OCO3)CCCC1(C)C ZINC001169843227 1022563569 /nfs/dbraw/zinc/56/35/69/1022563569.db2.gz AFDXRBJWQWQZBH-GOSISDBHSA-N 1 1 317.429 3.861 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000776797665 1022593936 /nfs/dbraw/zinc/59/39/36/1022593936.db2.gz KUUCCKQQXXQZNX-RTWAWAEBSA-N 1 1 320.436 3.955 20 30 DHEDMO CCOC(=O)C1CCC([N@@H+](CC)CC(C)(C)CCC#N)CC1 ZINC000338968606 1022600701 /nfs/dbraw/zinc/60/07/01/1022600701.db2.gz PSOHSRVYYOCFNM-UHFFFAOYSA-N 1 1 308.466 3.760 20 30 DHEDMO C#CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000766896567 1022605467 /nfs/dbraw/zinc/60/54/67/1022605467.db2.gz SYKFMPHICZPNEI-DLBZAZTESA-N 1 1 320.477 3.511 20 30 DHEDMO C#CCCC[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000766895156 1022606450 /nfs/dbraw/zinc/60/64/50/1022606450.db2.gz JOZRIAUJCLLOEY-UHFFFAOYSA-N 1 1 310.210 3.966 20 30 DHEDMO C#CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000766896568 1022606679 /nfs/dbraw/zinc/60/66/79/1022606679.db2.gz SYKFMPHICZPNEI-IAGOWNOFSA-N 1 1 320.477 3.511 20 30 DHEDMO Cc1cccc(C)c1NC(=O)CCC[N@@H+](CCC#N)CC(C)C ZINC000766897269 1022606774 /nfs/dbraw/zinc/60/67/74/1022606774.db2.gz ADLWURBMEJVQTM-UHFFFAOYSA-N 1 1 315.461 3.894 20 30 DHEDMO C#CCCC[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]2CCCC[C@H]21 ZINC000766915839 1022608706 /nfs/dbraw/zinc/60/87/06/1022608706.db2.gz IHIIQHJEYOLDCB-ZSXDVEMLSA-N 1 1 318.505 3.584 20 30 DHEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000767018771 1022625170 /nfs/dbraw/zinc/62/51/70/1022625170.db2.gz SPNWPTWBWFSPHH-QZTJIDSGSA-N 1 1 316.445 3.614 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616135058 1022644697 /nfs/dbraw/zinc/64/46/97/1022644697.db2.gz HEWPQTLXKTYRBF-CVEARBPZSA-N 1 1 323.415 3.969 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616135058 1022644703 /nfs/dbraw/zinc/64/47/03/1022644703.db2.gz HEWPQTLXKTYRBF-CVEARBPZSA-N 1 1 323.415 3.969 20 30 DHEDMO C[C@H](CC#N)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000068608001 1022702359 /nfs/dbraw/zinc/70/23/59/1022702359.db2.gz ASEMJGICUVJPOT-MRXNPFEDSA-N 1 1 316.408 3.931 20 30 DHEDMO C[C@@H](CC#N)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000068607999 1022702789 /nfs/dbraw/zinc/70/27/89/1022702789.db2.gz ASEMJGICUVJPOT-INIZCTEOSA-N 1 1 316.408 3.931 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001172308243 1033079008 /nfs/dbraw/zinc/07/90/08/1033079008.db2.gz VNLIDSQGDSVZGR-JXFKEZNVSA-N 1 1 306.409 3.643 20 30 DHEDMO C=CCSc1ccccc1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000617008906 1022806449 /nfs/dbraw/zinc/80/64/49/1022806449.db2.gz OFDJEBMVEUYFFW-CQSZACIVSA-N 1 1 318.486 3.567 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000768153810 1022904726 /nfs/dbraw/zinc/90/47/26/1022904726.db2.gz KTBOXTPJFVQESC-LJQANCHMSA-N 1 1 316.445 3.616 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000768153810 1022904736 /nfs/dbraw/zinc/90/47/36/1022904736.db2.gz KTBOXTPJFVQESC-LJQANCHMSA-N 1 1 316.445 3.616 20 30 DHEDMO C=CC[NH+](CC=C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000768138432 1022905343 /nfs/dbraw/zinc/90/53/43/1022905343.db2.gz UYGRPWVWWLOVLZ-UHFFFAOYSA-N 1 1 303.406 3.603 20 30 DHEDMO CCOc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)cc1OC ZINC000768163509 1022908105 /nfs/dbraw/zinc/90/81/05/1022908105.db2.gz QCAACJRQYPMCIN-UHFFFAOYSA-N 1 1 316.426 3.659 20 30 DHEDMO CCOc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1OC ZINC000768163509 1022908112 /nfs/dbraw/zinc/90/81/12/1022908112.db2.gz QCAACJRQYPMCIN-UHFFFAOYSA-N 1 1 316.426 3.659 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)C1CCCC1 ZINC000053436000 1022919214 /nfs/dbraw/zinc/91/92/14/1022919214.db2.gz QOUQMNZIMKCLAW-UHFFFAOYSA-N 1 1 304.459 3.778 20 30 DHEDMO C=CC[C@H](CC)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857209964 1022967472 /nfs/dbraw/zinc/96/74/72/1022967472.db2.gz RCHZJOFCKICGDL-MSOLQXFVSA-N 1 1 300.446 3.580 20 30 DHEDMO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000931111157 1022983762 /nfs/dbraw/zinc/98/37/62/1022983762.db2.gz FHHJLPJARRJBRF-JTTJXQCZSA-N 1 1 306.450 3.513 20 30 DHEDMO CCC[N@@H+](Cc1cc2c(cc[nH]c2=O)o1)Cc1ccc(C#N)cc1 ZINC000876591684 1033098899 /nfs/dbraw/zinc/09/88/99/1033098899.db2.gz BEHCOAIERPFONS-UHFFFAOYSA-N 1 1 321.380 3.817 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccccc2N2CCCCC2)no1 ZINC001212325090 1022999575 /nfs/dbraw/zinc/99/95/75/1022999575.db2.gz HCQAPPNUURJIKV-INIZCTEOSA-N 1 1 324.428 3.530 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1nc(C(C)(C)C)ccc1C#N ZINC001167752990 1023038867 /nfs/dbraw/zinc/03/88/67/1023038867.db2.gz ZLVOYOKDHKPVFN-OAHLLOKOSA-N 1 1 314.477 3.927 20 30 DHEDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCCCCC(C)(C)C#N ZINC000768830237 1023039410 /nfs/dbraw/zinc/03/94/10/1023039410.db2.gz DOVLUPHQICUGSJ-UHFFFAOYSA-N 1 1 308.466 3.903 20 30 DHEDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(N(C)CCC#N)cc2)on1 ZINC000768879196 1023046917 /nfs/dbraw/zinc/04/69/17/1023046917.db2.gz TVPAWHMJQAUHSK-GOSISDBHSA-N 1 1 324.428 3.670 20 30 DHEDMO C=CC[N@H+](Cc1ccc(Cl)s1)CC(OCC)OCC ZINC000123586340 1023050425 /nfs/dbraw/zinc/05/04/25/1023050425.db2.gz UTLKRIGTHLPYQW-UHFFFAOYSA-N 1 1 303.855 3.789 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)CC(OCC)OCC ZINC000123586340 1023050437 /nfs/dbraw/zinc/05/04/37/1023050437.db2.gz UTLKRIGTHLPYQW-UHFFFAOYSA-N 1 1 303.855 3.789 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCOc3ccccc3[C@H]2C)cc1 ZINC000768928575 1023059576 /nfs/dbraw/zinc/05/95/76/1023059576.db2.gz BIILVCDYJOIVOK-JKSUJKDBSA-N 1 1 322.408 3.933 20 30 DHEDMO C=CCn1ccc2c1nc[nH+]c2NCc1ccc2oc(C)nc2c1 ZINC001167757344 1023078261 /nfs/dbraw/zinc/07/82/61/1023078261.db2.gz QRSZMJRIWRPOGN-UHFFFAOYSA-N 1 1 319.368 3.679 20 30 DHEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC001252541498 1033103790 /nfs/dbraw/zinc/10/37/90/1033103790.db2.gz MOYAUXGVDYXVKB-LSDHHAIUSA-N 1 1 310.235 3.523 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(OCC)ccc1O ZINC000769146411 1023088719 /nfs/dbraw/zinc/08/87/19/1023088719.db2.gz WTLAZHJZBUUBCZ-UHFFFAOYSA-N 1 1 313.372 3.565 20 30 DHEDMO CCOc1ccc(C[N@@H+](CCC#N)CC(CC)CC)c(O)c1 ZINC000769333928 1023124976 /nfs/dbraw/zinc/12/49/76/1023124976.db2.gz AMBFUYNYEVGXCP-UHFFFAOYSA-N 1 1 304.434 3.943 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000769445139 1023146139 /nfs/dbraw/zinc/14/61/39/1023146139.db2.gz FKTQZLDVNRNZNF-UHFFFAOYSA-N 1 1 302.462 3.701 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)cc1 ZINC000769446701 1023156057 /nfs/dbraw/zinc/15/60/57/1023156057.db2.gz RIXHVWRZRQKCPE-OAQYLSRUSA-N 1 1 321.420 3.581 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3C)C2)cc1 ZINC000769446701 1023156064 /nfs/dbraw/zinc/15/60/64/1023156064.db2.gz RIXHVWRZRQKCPE-OAQYLSRUSA-N 1 1 321.420 3.581 20 30 DHEDMO C[C@@H](C[N@@H+](C)CCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000066853885 1023158351 /nfs/dbraw/zinc/15/83/51/1023158351.db2.gz ZDTVIZVDGBHXTP-INIZCTEOSA-N 1 1 321.424 3.622 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000876622715 1033109248 /nfs/dbraw/zinc/10/92/48/1033109248.db2.gz KZJHOOIRDKLHQC-JKSUJKDBSA-N 1 1 323.481 3.505 20 30 DHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H]1CC[C@H](C)[C@@H](C)C1)CCO2 ZINC001172377333 1033112799 /nfs/dbraw/zinc/11/27/99/1033112799.db2.gz LZLOUTZKWGHVIY-WKWVNEEDSA-N 1 1 321.505 3.885 20 30 DHEDMO CSc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc1 ZINC000337645916 1033115473 /nfs/dbraw/zinc/11/54/73/1033115473.db2.gz IJPYQMLXQYFXLM-UHFFFAOYSA-N 1 1 323.465 3.602 20 30 DHEDMO C=CC[C@@H]1[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1(C)C ZINC000769954496 1023244243 /nfs/dbraw/zinc/24/42/43/1023244243.db2.gz UBHPVNDIQLRLID-IRXDYDNUSA-N 1 1 318.417 3.695 20 30 DHEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001167764842 1023264201 /nfs/dbraw/zinc/26/42/01/1023264201.db2.gz BCRDNDXXQIVILK-IRXDYDNUSA-N 1 1 304.409 3.723 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710564 1023385163 /nfs/dbraw/zinc/38/51/63/1023385163.db2.gz UZNRJBCDRGKGGE-WCQYABFASA-N 1 1 307.825 3.536 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660710564 1023385151 /nfs/dbraw/zinc/38/51/51/1023385151.db2.gz UZNRJBCDRGKGGE-WCQYABFASA-N 1 1 307.825 3.536 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710564 1023385167 /nfs/dbraw/zinc/38/51/67/1023385167.db2.gz UZNRJBCDRGKGGE-WCQYABFASA-N 1 1 307.825 3.536 20 30 DHEDMO CCS[C@H]1CCCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876731458 1033128378 /nfs/dbraw/zinc/12/83/78/1033128378.db2.gz QVVINRFUSVNSOZ-AWEZNQCLSA-N 1 1 309.866 3.714 20 30 DHEDMO CCS[C@H]1CCCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876731458 1033128383 /nfs/dbraw/zinc/12/83/83/1033128383.db2.gz QVVINRFUSVNSOZ-AWEZNQCLSA-N 1 1 309.866 3.714 20 30 DHEDMO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](c2nccn2C)c2ccccc2F)C1 ZINC000651673667 1023448966 /nfs/dbraw/zinc/44/89/66/1023448966.db2.gz SMYMQVAQARFAHY-IIDMSEBBSA-N 1 1 313.420 3.983 20 30 DHEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2c2c(C)cccc2C)nn1 ZINC000661135710 1023493354 /nfs/dbraw/zinc/49/33/54/1023493354.db2.gz FTBUDZJKEKMRKH-GOSISDBHSA-N 1 1 310.445 3.808 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000876767665 1033137770 /nfs/dbraw/zinc/13/77/70/1033137770.db2.gz OMBQTBJRQACUNT-MRXNPFEDSA-N 1 1 319.836 3.530 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000045003317 1023535282 /nfs/dbraw/zinc/53/52/82/1023535282.db2.gz SGYAKOCNXFVGAE-HNNXBMFYSA-N 1 1 314.429 3.850 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000045003317 1023535287 /nfs/dbraw/zinc/53/52/87/1023535287.db2.gz SGYAKOCNXFVGAE-HNNXBMFYSA-N 1 1 314.429 3.850 20 30 DHEDMO CCCCCCCC[N@@H+]1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000772380590 1023551825 /nfs/dbraw/zinc/55/18/25/1023551825.db2.gz YTIYGKNQGLOBOQ-QGZVFWFLSA-N 1 1 307.482 3.771 20 30 DHEDMO CCCCCCCC[N@H+]1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000772380590 1023551828 /nfs/dbraw/zinc/55/18/28/1023551828.db2.gz YTIYGKNQGLOBOQ-QGZVFWFLSA-N 1 1 307.482 3.771 20 30 DHEDMO C=CCC(CC=C)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000133587437 1033142220 /nfs/dbraw/zinc/14/22/20/1033142220.db2.gz PSQDNLDDVJPYJB-ROUUACIJSA-N 1 1 318.505 3.868 20 30 DHEDMO C#CC[N@H+](Cc1cccc(OCC)c1O)[C@@H]1CCc2ccccc21 ZINC000772600093 1023577367 /nfs/dbraw/zinc/57/73/67/1023577367.db2.gz SYJPRZSTLGUTRN-LJQANCHMSA-N 1 1 321.420 3.914 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(F)cccc2F)C1 ZINC000661378496 1023584771 /nfs/dbraw/zinc/58/47/71/1023584771.db2.gz HPKVRPBUVZFJQK-CHWSQXEVSA-N 1 1 308.372 3.580 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(F)cccc2F)C1 ZINC000661378496 1023584777 /nfs/dbraw/zinc/58/47/77/1023584777.db2.gz HPKVRPBUVZFJQK-CHWSQXEVSA-N 1 1 308.372 3.580 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(F)ccc2F)C1 ZINC000661378701 1023585007 /nfs/dbraw/zinc/58/50/07/1023585007.db2.gz KPSNOKPRIIBCSQ-OLZOCXBDSA-N 1 1 308.372 3.580 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(F)ccc2F)C1 ZINC000661378701 1023585010 /nfs/dbraw/zinc/58/50/10/1023585010.db2.gz KPSNOKPRIIBCSQ-OLZOCXBDSA-N 1 1 308.372 3.580 20 30 DHEDMO C=CCCCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000785764542 1023616480 /nfs/dbraw/zinc/61/64/80/1023616480.db2.gz UIEZTJVTVCIUNQ-CVEARBPZSA-N 1 1 310.482 3.968 20 30 DHEDMO C=CCC[N@H+](C)Cn1ccc(-c2ccc(Br)cc2)n1 ZINC000786100848 1023659078 /nfs/dbraw/zinc/65/90/78/1023659078.db2.gz FHHREQPAQSEBLA-UHFFFAOYSA-N 1 1 320.234 3.778 20 30 DHEDMO N#Cc1ccnc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC001170061998 1023715926 /nfs/dbraw/zinc/71/59/26/1023715926.db2.gz IBQUOUQNYHMVHZ-VAMGGRTRSA-N 1 1 303.409 3.721 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(F)nc1C ZINC000787124399 1023764055 /nfs/dbraw/zinc/76/40/55/1023764055.db2.gz IPPGLKBDGVIQKK-UHFFFAOYSA-N 1 1 300.377 3.726 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(F)nc1C ZINC000787124399 1023764060 /nfs/dbraw/zinc/76/40/60/1023764060.db2.gz IPPGLKBDGVIQKK-UHFFFAOYSA-N 1 1 300.377 3.726 20 30 DHEDMO Clc1ccccc1C#CC[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661864058 1023785154 /nfs/dbraw/zinc/78/51/54/1023785154.db2.gz MPAJPOZDBZGXRH-IBGZPJMESA-N 1 1 317.860 3.973 20 30 DHEDMO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc(C(F)(F)F)c1 ZINC001143519196 1023798927 /nfs/dbraw/zinc/79/89/27/1023798927.db2.gz IKUBSFJHFNCWNT-UWEBFBLFSA-N 1 1 324.346 3.981 20 30 DHEDMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc(C(F)(F)F)c1 ZINC001143519196 1023798933 /nfs/dbraw/zinc/79/89/33/1023798933.db2.gz IKUBSFJHFNCWNT-UWEBFBLFSA-N 1 1 324.346 3.981 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCSC(C)(C)CC2)c(O)c(OC)c1 ZINC000788376268 1023879691 /nfs/dbraw/zinc/87/96/91/1023879691.db2.gz IKEDWLKYNGOFJA-UHFFFAOYSA-N 1 1 321.486 3.847 20 30 DHEDMO C#CCn1ccc(CN(CC)c2cc[nH+]c3ccc(Cl)cc32)n1 ZINC000788566093 1023908058 /nfs/dbraw/zinc/90/80/58/1023908058.db2.gz VSTQNISGYRAWBD-UHFFFAOYSA-N 1 1 324.815 3.744 20 30 DHEDMO CCn1nc(C)c(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1C ZINC000093872278 1023942187 /nfs/dbraw/zinc/94/21/87/1023942187.db2.gz PCHQZANRUKMKFU-ICSRJNTNSA-N 1 1 322.456 3.792 20 30 DHEDMO CCn1nc(C)c(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1C ZINC000093872278 1023942193 /nfs/dbraw/zinc/94/21/93/1023942193.db2.gz PCHQZANRUKMKFU-ICSRJNTNSA-N 1 1 322.456 3.792 20 30 DHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)C3(C#N)CC4(CC4)C3)cc2)c1C ZINC000601591380 1023997663 /nfs/dbraw/zinc/99/76/63/1023997663.db2.gz HTHGQTHSISTFIH-UHFFFAOYSA-N 1 1 320.396 3.512 20 30 DHEDMO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](CC)CC(C)C ZINC001172389610 1033175478 /nfs/dbraw/zinc/17/54/78/1033175478.db2.gz OFYKRISVOBQYGO-MSOLQXFVSA-N 1 1 303.446 3.741 20 30 DHEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000266969500 1024045399 /nfs/dbraw/zinc/04/53/99/1024045399.db2.gz ZIHMYABUPZBZCC-MRXNPFEDSA-N 1 1 306.409 3.636 20 30 DHEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000266969500 1024045412 /nfs/dbraw/zinc/04/54/12/1024045412.db2.gz ZIHMYABUPZBZCC-MRXNPFEDSA-N 1 1 306.409 3.636 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)CCc2ccc3ccccc3c2)n1 ZINC000789325512 1024048678 /nfs/dbraw/zinc/04/86/78/1024048678.db2.gz GOAFEZCUNZQNCS-UHFFFAOYSA-N 1 1 317.436 3.734 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000789325263 1024048886 /nfs/dbraw/zinc/04/88/86/1024048886.db2.gz AYSQTIMVCINQGR-CQSZACIVSA-N 1 1 301.821 3.753 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000789325263 1024048898 /nfs/dbraw/zinc/04/88/98/1024048898.db2.gz AYSQTIMVCINQGR-CQSZACIVSA-N 1 1 301.821 3.753 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C3CCC3)cc2)n1 ZINC000789326573 1024050851 /nfs/dbraw/zinc/05/08/51/1024050851.db2.gz VKXGFQWTLGYDBW-UHFFFAOYSA-N 1 1 307.441 3.806 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C3CCC3)cc2)n1 ZINC000789326573 1024050869 /nfs/dbraw/zinc/05/08/69/1024050869.db2.gz VKXGFQWTLGYDBW-UHFFFAOYSA-N 1 1 307.441 3.806 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)c2cccc(Cl)c2)n1 ZINC000789332791 1024051455 /nfs/dbraw/zinc/05/14/55/1024051455.db2.gz XCOUPKKZZVWIEM-AWEZNQCLSA-N 1 1 301.821 3.753 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)[C@@H](C)c2cccc(Cl)c2)n1 ZINC000789332791 1024051471 /nfs/dbraw/zinc/05/14/71/1024051471.db2.gz XCOUPKKZZVWIEM-AWEZNQCLSA-N 1 1 301.821 3.753 20 30 DHEDMO C=CCO[C@H]1CC[N@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC001320037071 1024058288 /nfs/dbraw/zinc/05/82/88/1024058288.db2.gz BFSXPBSJTWACEH-WFASDCNBSA-N 1 1 310.235 3.787 20 30 DHEDMO C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(C#N)ccc1F ZINC000053899156 1024080444 /nfs/dbraw/zinc/08/04/44/1024080444.db2.gz TWVZAHMUZVMLBW-UHFFFAOYSA-N 1 1 320.314 3.931 20 30 DHEDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(C#N)ccc1F ZINC000053899156 1024080455 /nfs/dbraw/zinc/08/04/55/1024080455.db2.gz TWVZAHMUZVMLBW-UHFFFAOYSA-N 1 1 320.314 3.931 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)CCc2ccc(C(C)C)cc2)n1 ZINC000789759154 1024157804 /nfs/dbraw/zinc/15/78/04/1024157804.db2.gz PETAVXJZWRLIBI-UHFFFAOYSA-N 1 1 309.457 3.704 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCc3cc(F)ccc32)c1 ZINC000876973733 1033195046 /nfs/dbraw/zinc/19/50/46/1033195046.db2.gz OGUYLQUMVINXJP-HNNXBMFYSA-N 1 1 301.752 3.523 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000610133076 1024248929 /nfs/dbraw/zinc/24/89/29/1024248929.db2.gz JQOSCBZSFYFCRQ-INIZCTEOSA-N 1 1 324.424 3.681 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+]C2(c3ccc(F)cc3)CCC2)c1 ZINC000876996459 1033201377 /nfs/dbraw/zinc/20/13/77/1033201377.db2.gz URCZQOGDSDALJY-UHFFFAOYSA-N 1 1 315.779 3.915 20 30 DHEDMO CC[C@H](C)c1nc([C@H](C)N[C@@H](CC)c2ccc(C#N)cc2)n[nH]1 ZINC000278895100 1024363714 /nfs/dbraw/zinc/36/37/14/1024363714.db2.gz YWURIWQIOUBYHW-XEZPLFJOSA-N 1 1 311.433 3.992 20 30 DHEDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](CC)c2ccc(C#N)cc2)[nH]1 ZINC000278895100 1024363731 /nfs/dbraw/zinc/36/37/31/1024363731.db2.gz YWURIWQIOUBYHW-XEZPLFJOSA-N 1 1 311.433 3.992 20 30 DHEDMO COc1cc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)ccc1C#N ZINC000883380780 1024412724 /nfs/dbraw/zinc/41/27/24/1024412724.db2.gz AJAPZVPTQFBDAN-HKUYNNGSSA-N 1 1 310.372 3.682 20 30 DHEDMO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1F ZINC000883381464 1024413305 /nfs/dbraw/zinc/41/33/05/1024413305.db2.gz NMWWJPOBNRAMIW-AZUAARDMSA-N 1 1 323.415 3.739 20 30 DHEDMO COc1cc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)ccc1C#N ZINC000883380781 1024413720 /nfs/dbraw/zinc/41/37/20/1024413720.db2.gz AJAPZVPTQFBDAN-IEBWSBKVSA-N 1 1 310.372 3.682 20 30 DHEDMO Oc1ccccc1/C=N/C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000132333577 1024469316 /nfs/dbraw/zinc/46/93/16/1024469316.db2.gz DYPOYVXIKHHNFU-IYSPOMMRSA-N 1 1 314.454 3.785 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000453369965 1024493867 /nfs/dbraw/zinc/49/38/67/1024493867.db2.gz NMXNMYQTYWBWRJ-KBWCOIMZSA-N 1 1 324.468 3.893 20 30 DHEDMO C=C(C)C[N@@H+](CC[S@@](=O)c1ccccc1)Cc1ccccc1 ZINC000348242533 1024533521 /nfs/dbraw/zinc/53/35/21/1024533521.db2.gz RNMHKFPEVDOOPX-JOCHJYFZSA-N 1 1 313.466 3.873 20 30 DHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C3CC3)no2)c1 ZINC000877045516 1033218068 /nfs/dbraw/zinc/21/80/68/1033218068.db2.gz AZMJVFZAMODNMG-HNNXBMFYSA-N 1 1 311.385 3.523 20 30 DHEDMO CC(C)[N@@H+](CC(=O)Nc1sccc1C#N)C1CCCCC1 ZINC000102768720 1024540798 /nfs/dbraw/zinc/54/07/98/1024540798.db2.gz IUMZXMPBTNEYHX-UHFFFAOYSA-N 1 1 305.447 3.601 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000274324747 1024568946 /nfs/dbraw/zinc/56/89/46/1024568946.db2.gz HNBZHVPJRWKUNO-MRXNPFEDSA-N 1 1 302.462 3.745 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274320219 1024569194 /nfs/dbraw/zinc/56/91/94/1024569194.db2.gz GFWVGSWMWSKSGV-LNLFQRSKSA-N 1 1 314.473 3.616 20 30 DHEDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000339151972 1024575372 /nfs/dbraw/zinc/57/53/72/1024575372.db2.gz KYCNHRAGPMSUNA-SFHVURJKSA-N 1 1 308.429 3.696 20 30 DHEDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000339151972 1024575379 /nfs/dbraw/zinc/57/53/79/1024575379.db2.gz KYCNHRAGPMSUNA-SFHVURJKSA-N 1 1 308.429 3.696 20 30 DHEDMO C[C@@H](CCCC#N)[NH+]1CCC(N)(c2cccc(Cl)c2)CC1 ZINC001172488239 1033221341 /nfs/dbraw/zinc/22/13/41/1033221341.db2.gz RVYRZECFGPCJLJ-AWEZNQCLSA-N 1 1 305.853 3.672 20 30 DHEDMO N#CCC[N@@H+](CCOc1ccc(C(F)(F)F)cc1)CC1CC1 ZINC000348553705 1024589951 /nfs/dbraw/zinc/58/99/51/1024589951.db2.gz OQAVLQBVWDSSCE-UHFFFAOYSA-N 1 1 312.335 3.710 20 30 DHEDMO N#CCC[N@H+](CCOc1ccc(C(F)(F)F)cc1)CC1CC1 ZINC000348553705 1024589963 /nfs/dbraw/zinc/58/99/63/1024589963.db2.gz OQAVLQBVWDSSCE-UHFFFAOYSA-N 1 1 312.335 3.710 20 30 DHEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCOc2ccccc2C#N)s1 ZINC000106877673 1024607273 /nfs/dbraw/zinc/60/72/73/1024607273.db2.gz NPUHWDOBBXOZCC-CYBMUJFWSA-N 1 1 315.442 3.703 20 30 DHEDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000475696023 1024608815 /nfs/dbraw/zinc/60/88/15/1024608815.db2.gz CKANDDVOMSRFJN-KRWDZBQOSA-N 1 1 306.837 3.585 20 30 DHEDMO CC[C@@H](C(=O)[C@@H](C#N)c1nccc2ccccc21)[NH+](CC)CC ZINC000792104780 1024626377 /nfs/dbraw/zinc/62/63/77/1024626377.db2.gz YINCMEFVCSWKJP-IRXDYDNUSA-N 1 1 309.413 3.531 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC001172493603 1033225519 /nfs/dbraw/zinc/22/55/19/1033225519.db2.gz NAGHOHLXWYHONL-WMZOPIPTSA-N 1 1 314.429 3.667 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001172497082 1033226080 /nfs/dbraw/zinc/22/60/80/1033226080.db2.gz XPLIOTWRPRFTKH-OAHLLOKOSA-N 1 1 321.465 3.544 20 30 DHEDMO CCCCCCC[C@H](CCC)n1cncc1C[C@H]([NH3+])C(=O)OC ZINC001172500618 1033228692 /nfs/dbraw/zinc/22/86/92/1033228692.db2.gz BFYNABRMPYWODH-RDJZCZTQSA-N 1 1 323.481 3.628 20 30 DHEDMO C[NH+](C)C[C@@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000282880622 1024663582 /nfs/dbraw/zinc/66/35/82/1024663582.db2.gz RVFBAJIUAQXTPY-GOSISDBHSA-N 1 1 313.832 3.604 20 30 DHEDMO C[C@@H](CCCC#N)[N@@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001172499881 1033228360 /nfs/dbraw/zinc/22/83/60/1033228360.db2.gz GISLDXYFPCTEND-HOTGVXAUSA-N 1 1 323.481 3.648 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001172499880 1033229385 /nfs/dbraw/zinc/22/93/85/1033229385.db2.gz GISLDXYFPCTEND-CVEARBPZSA-N 1 1 323.481 3.648 20 30 DHEDMO COC[C@H]([NH2+]Cc1ccc(C#N)o1)c1cccc(C(F)(F)F)c1 ZINC000610271073 1024707808 /nfs/dbraw/zinc/70/78/08/1024707808.db2.gz PQMBVRQHJADDCM-HNNXBMFYSA-N 1 1 324.302 3.647 20 30 DHEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1nc(C)ccc1O ZINC000349613759 1024732479 /nfs/dbraw/zinc/73/24/79/1024732479.db2.gz GLUXMEYYBHJTCL-UHFFFAOYSA-N 1 1 308.834 3.999 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1nc(C)ccc1O ZINC000349613759 1024732487 /nfs/dbraw/zinc/73/24/87/1024732487.db2.gz GLUXMEYYBHJTCL-UHFFFAOYSA-N 1 1 308.834 3.999 20 30 DHEDMO C[C@@H](CCCC#N)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001172502986 1033232968 /nfs/dbraw/zinc/23/29/68/1033232968.db2.gz XTDGTJOSOHPGHN-KRWDZBQOSA-N 1 1 311.473 3.591 20 30 DHEDMO C[C@@H](CCCC#N)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001172502986 1033232973 /nfs/dbraw/zinc/23/29/73/1033232973.db2.gz XTDGTJOSOHPGHN-KRWDZBQOSA-N 1 1 311.473 3.591 20 30 DHEDMO C=CCn1ccc2c1nc[nH+]c2NC1CC(C)(C)OC(C)(C)C1 ZINC001170359290 1024751597 /nfs/dbraw/zinc/75/15/97/1024751597.db2.gz IIPSWVYPTKYRHE-UHFFFAOYSA-N 1 1 314.433 3.765 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@@]3(CCO3)C2)CC1 ZINC001170388869 1024762042 /nfs/dbraw/zinc/76/20/42/1024762042.db2.gz IEJZUBSZKBFPGE-SOAGJPPSSA-N 1 1 310.441 3.645 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@]3(C2)CCCOC3)CC1 ZINC001170394988 1024762310 /nfs/dbraw/zinc/76/23/10/1024762310.db2.gz DXHWPHAAORPKFJ-KBWCOIMZSA-N 1 1 324.468 3.893 20 30 DHEDMO C[N@@H+](CC1CCOCC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378912 1024765547 /nfs/dbraw/zinc/76/55/47/1024765547.db2.gz NNQCVBGWMBRVTN-UHFFFAOYSA-N 1 1 312.457 3.749 20 30 DHEDMO COC[C@H]1CCCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378676 1024766034 /nfs/dbraw/zinc/76/60/34/1024766034.db2.gz HSFKWLFZQPQLGH-IOJLRTSASA-N 1 1 312.457 3.891 20 30 DHEDMO CCOC(=O)C[N@H+]([C@H](C)c1ccccc1)[C@@H](C)CCCC#N ZINC001172508991 1033237615 /nfs/dbraw/zinc/23/76/15/1033237615.db2.gz ITRLNRNRXMYKGM-JKSUJKDBSA-N 1 1 302.418 3.695 20 30 DHEDMO C[C@H]1C[C@H]2C[N@H+](C3CCC(C#N)(c4ccccc4)CC3)CC[C@H]2O1 ZINC001170382843 1024767673 /nfs/dbraw/zinc/76/76/73/1024767673.db2.gz FDSKDBKDAPLDHT-NWVUDAOSSA-N 1 1 324.468 3.890 20 30 DHEDMO C[C@@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCCC1=O ZINC001170379068 1024767994 /nfs/dbraw/zinc/76/79/94/1024767994.db2.gz OZIDLSJFNZGUGW-PPDQVPDSSA-N 1 1 310.441 3.692 20 30 DHEDMO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)CCCC#N)[C@@H](c2ccccc2)C1 ZINC001172509882 1033237997 /nfs/dbraw/zinc/23/79/97/1033237997.db2.gz SJFVOTFXWPFOAP-KBAYOESNSA-N 1 1 314.429 3.695 20 30 DHEDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)CCCC#N)[C@@H](c2ccccc2)C1 ZINC001172509880 1033238092 /nfs/dbraw/zinc/23/80/92/1033238092.db2.gz SJFVOTFXWPFOAP-CGTJXYLNSA-N 1 1 314.429 3.695 20 30 DHEDMO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)CCCC#N)[C@H](c2ccccc2)C1 ZINC001172509883 1033238765 /nfs/dbraw/zinc/23/87/65/1033238765.db2.gz SJFVOTFXWPFOAP-NXHRZFHOSA-N 1 1 314.429 3.695 20 30 DHEDMO CC(C)([C@H](NCCCC#N)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000347366252 1024789224 /nfs/dbraw/zinc/78/92/24/1024789224.db2.gz RLWXPZUYPXGDBX-QGZVFWFLSA-N 1 1 321.415 3.774 20 30 DHEDMO CCCCCCC[C@@H](CCC)[N@H+]1Cc2ccnn2CC[C@H]1CO ZINC001172510378 1033238959 /nfs/dbraw/zinc/23/89/59/1033238959.db2.gz AVGUFADKGSXUSQ-MJGOQNOKSA-N 1 1 321.509 3.979 20 30 DHEDMO CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CCC1 ZINC000350126177 1024794550 /nfs/dbraw/zinc/79/45/50/1024794550.db2.gz PNJRRBFEOWYCIY-UHFFFAOYSA-N 1 1 309.413 3.612 20 30 DHEDMO C=CCC[C@H](NC(=O)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000133766683 1024794745 /nfs/dbraw/zinc/79/47/45/1024794745.db2.gz BOQDNJSRWZFLSM-SFHVURJKSA-N 1 1 311.429 3.795 20 30 DHEDMO C[C@]12CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]1C2(Cl)Cl ZINC000792902609 1024831498 /nfs/dbraw/zinc/83/14/98/1024831498.db2.gz INXBGTCGKSNHAO-CABCVRRESA-N 1 1 312.215 3.693 20 30 DHEDMO C[C@]12CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]1C2(Cl)Cl ZINC000792902609 1024831516 /nfs/dbraw/zinc/83/15/16/1024831516.db2.gz INXBGTCGKSNHAO-CABCVRRESA-N 1 1 312.215 3.693 20 30 DHEDMO N#C[C@@H]1CCC[C@H](N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000618568711 1024835385 /nfs/dbraw/zinc/83/53/85/1024835385.db2.gz ZZYRVTBRJUTPHQ-HOJAQTOUSA-N 1 1 311.473 3.886 20 30 DHEDMO CCCCCCC[C@H](C)C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001274928432 1024877606 /nfs/dbraw/zinc/87/76/06/1024877606.db2.gz HHIAEZLURSKEPD-PKOBYXMFSA-N 1 1 308.510 3.927 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@]2(CC(=O)N(CCCC)C2=O)C1 ZINC001275110729 1024917017 /nfs/dbraw/zinc/91/70/17/1024917017.db2.gz CWGTUFYSBYVIND-IBGZPJMESA-N 1 1 322.493 3.598 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000793340492 1024984914 /nfs/dbraw/zinc/98/49/14/1024984914.db2.gz OZNGONLNFWITNC-SFHVURJKSA-N 1 1 321.848 3.743 20 30 DHEDMO COc1cc(C)c(C[N@H+](C)Cc2ccc(C#N)s2)cc1OC ZINC000120104947 1025015820 /nfs/dbraw/zinc/01/58/20/1025015820.db2.gz YSGSZXULSZSYTA-UHFFFAOYSA-N 1 1 316.426 3.577 20 30 DHEDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(C#N)s2)cc1OC ZINC000120104947 1025015832 /nfs/dbraw/zinc/01/58/32/1025015832.db2.gz YSGSZXULSZSYTA-UHFFFAOYSA-N 1 1 316.426 3.577 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000279456435 1025038987 /nfs/dbraw/zinc/03/89/87/1025038987.db2.gz CHBMIJXONSLFMR-AYBZRNKSSA-N 1 1 312.457 3.732 20 30 DHEDMO Cc1ccccc1-n1nccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000353376670 1025043232 /nfs/dbraw/zinc/04/32/32/1025043232.db2.gz CYQGBQVWZMFONF-UHFFFAOYSA-N 1 1 316.408 3.684 20 30 DHEDMO Cc1ccccc1-n1nccc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000353376670 1025043263 /nfs/dbraw/zinc/04/32/63/1025043263.db2.gz CYQGBQVWZMFONF-UHFFFAOYSA-N 1 1 316.408 3.684 20 30 DHEDMO C=CCCn1cc(C[N@H+](CC)C[C@H](CC)c2ccccc2)nn1 ZINC000653622473 1025059253 /nfs/dbraw/zinc/05/92/53/1025059253.db2.gz FPEBJTMTWQVLGE-KRWDZBQOSA-N 1 1 312.461 3.870 20 30 DHEDMO Cc1ccc(C[N@H+](CCC#N)CC2CC2)cc1Br ZINC000353424215 1025061088 /nfs/dbraw/zinc/06/10/88/1025061088.db2.gz SKFSLJPEHQWTQT-UHFFFAOYSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1Br ZINC000353424215 1025061101 /nfs/dbraw/zinc/06/11/01/1025061101.db2.gz SKFSLJPEHQWTQT-UHFFFAOYSA-N 1 1 307.235 3.883 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)c(OC)c1 ZINC000121001721 1025070000 /nfs/dbraw/zinc/07/00/00/1025070000.db2.gz KGHCQBDLRAQFTF-KRWDZBQOSA-N 1 1 312.369 3.506 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)o2)c(OC)c1 ZINC000121001721 1025070017 /nfs/dbraw/zinc/07/00/17/1025070017.db2.gz KGHCQBDLRAQFTF-KRWDZBQOSA-N 1 1 312.369 3.506 20 30 DHEDMO C=CCCCCC[C@H](C)[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000793532112 1025107946 /nfs/dbraw/zinc/10/79/46/1025107946.db2.gz FMVLMPISWOXYFU-ZWKOTPCHSA-N 1 1 308.510 3.602 20 30 DHEDMO CN(Cc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000351971306 1025226718 /nfs/dbraw/zinc/22/67/18/1025226718.db2.gz BFENJAPDNPJOFG-NRFANRHFSA-N 1 1 319.452 3.655 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000351971306 1025226725 /nfs/dbraw/zinc/22/67/25/1025226725.db2.gz BFENJAPDNPJOFG-NRFANRHFSA-N 1 1 319.452 3.655 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000351971306 1025226758 /nfs/dbraw/zinc/22/67/58/1025226758.db2.gz BFENJAPDNPJOFG-NRFANRHFSA-N 1 1 319.452 3.655 20 30 DHEDMO CN(Cc1cccc(C#N)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000351971679 1025227334 /nfs/dbraw/zinc/22/73/34/1025227334.db2.gz FCNXYIBSVJBCBI-NRFANRHFSA-N 1 1 319.452 3.655 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000351971679 1025227346 /nfs/dbraw/zinc/22/73/46/1025227346.db2.gz FCNXYIBSVJBCBI-NRFANRHFSA-N 1 1 319.452 3.655 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000351971679 1025227366 /nfs/dbraw/zinc/22/73/66/1025227366.db2.gz FCNXYIBSVJBCBI-NRFANRHFSA-N 1 1 319.452 3.655 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccccc1SC ZINC000348331682 1025241238 /nfs/dbraw/zinc/24/12/38/1025241238.db2.gz RDNRJOLNCZLHDR-HNNXBMFYSA-N 1 1 320.502 3.653 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1SC ZINC000348331682 1025241251 /nfs/dbraw/zinc/24/12/51/1025241251.db2.gz RDNRJOLNCZLHDR-HNNXBMFYSA-N 1 1 320.502 3.653 20 30 DHEDMO C[N@H+](CCCc1cc(-c2ccccc2)no1)C[C@H](C#N)CCC#N ZINC000112560172 1025251342 /nfs/dbraw/zinc/25/13/42/1025251342.db2.gz KFRBYFJJVPGZAO-INIZCTEOSA-N 1 1 322.412 3.650 20 30 DHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)C[C@H](C#N)CCC#N ZINC000112560172 1025251350 /nfs/dbraw/zinc/25/13/50/1025251350.db2.gz KFRBYFJJVPGZAO-INIZCTEOSA-N 1 1 322.412 3.650 20 30 DHEDMO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CCC1 ZINC000353809709 1025257062 /nfs/dbraw/zinc/25/70/62/1025257062.db2.gz BRQIFKSRTVMJKP-UHFFFAOYSA-N 1 1 308.429 3.838 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1F ZINC000859928238 1033270132 /nfs/dbraw/zinc/27/01/32/1033270132.db2.gz GSYFTBUQPZZIHY-GBESFXJTSA-N 1 1 306.384 3.933 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCS[C@H](CC)C2)cc1OC ZINC000353884825 1025279422 /nfs/dbraw/zinc/27/94/22/1025279422.db2.gz YCDAOWHAFUXETP-OAHLLOKOSA-N 1 1 307.459 3.587 20 30 DHEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](C1CCC(C)CC1)C2 ZINC001168211373 1025322285 /nfs/dbraw/zinc/32/22/85/1025322285.db2.gz CVOHNZVIWZGVNV-GMNCBBECSA-N 1 1 307.478 3.639 20 30 DHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](C1CCC(C)CC1)C2 ZINC001168211647 1025322782 /nfs/dbraw/zinc/32/27/82/1025322782.db2.gz GCWDIALQKXMIEU-FAFZWHIHSA-N 1 1 304.478 3.598 20 30 DHEDMO C#CC[N@@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)CC1CC1 ZINC001168233814 1025360171 /nfs/dbraw/zinc/36/01/71/1025360171.db2.gz HXUUIDQRGWTYOS-UHFFFAOYSA-N 1 1 318.420 3.637 20 30 DHEDMO C#CC[N@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)CC1CC1 ZINC001168233814 1025360184 /nfs/dbraw/zinc/36/01/84/1025360184.db2.gz HXUUIDQRGWTYOS-UHFFFAOYSA-N 1 1 318.420 3.637 20 30 DHEDMO COc1ccc(C[N@@H+](CCOc2ccc(C#N)cc2)C2CC2)cc1 ZINC000015309543 1025379093 /nfs/dbraw/zinc/37/90/93/1025379093.db2.gz HTAVEOJFBSBATC-UHFFFAOYSA-N 1 1 322.408 3.610 20 30 DHEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885937927 1025413206 /nfs/dbraw/zinc/41/32/06/1025413206.db2.gz NDJUFHHXMAVIJF-BBRMVZONSA-N 1 1 306.837 3.778 20 30 DHEDMO CC[N@H+](Cc1ccccc1Cl)C[C@@H](O)CC1(C#N)CCC1 ZINC000885951445 1025416726 /nfs/dbraw/zinc/41/67/26/1025416726.db2.gz IQRFXBNJDINZKQ-HNNXBMFYSA-N 1 1 306.837 3.607 20 30 DHEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000885956457 1025419214 /nfs/dbraw/zinc/41/92/14/1025419214.db2.gz QCAKXFQNPCVODU-DZGCQCFKSA-N 1 1 304.459 3.502 20 30 DHEDMO CC[C@H]1c2ccsc2CC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000885956458 1025420364 /nfs/dbraw/zinc/42/03/64/1025420364.db2.gz QCAKXFQNPCVODU-HIFRSBDPSA-N 1 1 304.459 3.502 20 30 DHEDMO C=CCCCCCCC[N@H+]1CCC[C@@]12CCN(CC=C)C2=O ZINC001275331483 1025445701 /nfs/dbraw/zinc/44/57/01/1025445701.db2.gz XOAHUOBEIXPEKL-IBGZPJMESA-N 1 1 304.478 3.766 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000886032979 1025446235 /nfs/dbraw/zinc/44/62/35/1025446235.db2.gz QCHJZAMBXACOSN-HOTGVXAUSA-N 1 1 304.821 3.532 20 30 DHEDMO COc1cc(C)cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1OC ZINC000886041904 1025447402 /nfs/dbraw/zinc/44/74/02/1025447402.db2.gz RXAGXXNOROJBLC-UHFFFAOYSA-N 1 1 322.408 3.663 20 30 DHEDMO C#CC[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1F)c1ccccc1 ZINC000886049635 1025451735 /nfs/dbraw/zinc/45/17/35/1025451735.db2.gz QGZAZFSSNZTKGP-MRXNPFEDSA-N 1 1 313.372 3.697 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCCCCC1 ZINC000354556245 1025454705 /nfs/dbraw/zinc/45/47/05/1025454705.db2.gz BXCLAWRRTSZVFH-HNNXBMFYSA-N 1 1 306.475 3.527 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCCCCC1 ZINC000354556245 1025454709 /nfs/dbraw/zinc/45/47/09/1025454709.db2.gz BXCLAWRRTSZVFH-HNNXBMFYSA-N 1 1 306.475 3.527 20 30 DHEDMO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@@H+]1CCCC#N ZINC000125572037 1025485458 /nfs/dbraw/zinc/48/54/58/1025485458.db2.gz LFDAYLUFASODAH-AWEZNQCLSA-N 1 1 308.857 3.942 20 30 DHEDMO Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1CCCC#N ZINC000125572037 1025485466 /nfs/dbraw/zinc/48/54/66/1025485466.db2.gz LFDAYLUFASODAH-AWEZNQCLSA-N 1 1 308.857 3.942 20 30 DHEDMO CCOCC[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000354768985 1025501902 /nfs/dbraw/zinc/50/19/02/1025501902.db2.gz QRGVLCCLCVUISB-UHFFFAOYSA-N 1 1 324.424 3.606 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3CC[C@@H](C4CC4)O3)CC2)cc1 ZINC000886100279 1025505982 /nfs/dbraw/zinc/50/59/82/1025505982.db2.gz JWRJKUMUTAWGPZ-UXHICEINSA-N 1 1 308.425 3.605 20 30 DHEDMO CCc1nc([C@@H](C)[NH2+]C2CC(C#N)(c3ccccc3)C2)cs1 ZINC000126870329 1025521786 /nfs/dbraw/zinc/52/17/86/1025521786.db2.gz QITVPPWMYUAGDV-MJJDPTRDSA-N 1 1 311.454 3.980 20 30 DHEDMO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886237279 1025568941 /nfs/dbraw/zinc/56/89/41/1025568941.db2.gz ZRJCTLFJEYERSI-AEFFLSMTSA-N 1 1 316.420 3.716 20 30 DHEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000886242798 1025570913 /nfs/dbraw/zinc/57/09/13/1025570913.db2.gz DTRYPWLAPXXBLJ-CEXWTWQISA-N 1 1 312.457 3.699 20 30 DHEDMO CCN(Cc1ccccc1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355010976 1025576035 /nfs/dbraw/zinc/57/60/35/1025576035.db2.gz KBWPTFWPHIQQFL-NRFANRHFSA-N 1 1 319.452 3.655 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2csc(-c3cccc(OC)c3)n2)C1 ZINC000886353884 1025598374 /nfs/dbraw/zinc/59/83/74/1025598374.db2.gz RQFPKYATNRBZJT-AWEZNQCLSA-N 1 1 312.438 3.664 20 30 DHEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000886359323 1025601942 /nfs/dbraw/zinc/60/19/42/1025601942.db2.gz ARFQHAPSQQDMJK-CVEARBPZSA-N 1 1 309.413 3.760 20 30 DHEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000886356194 1025602225 /nfs/dbraw/zinc/60/22/25/1025602225.db2.gz VRSRGAVJCDYNEH-UONOGXRCSA-N 1 1 313.376 3.590 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000886360493 1025602728 /nfs/dbraw/zinc/60/27/28/1025602728.db2.gz WWHKXJXZUNDSKP-LLVKDONJSA-N 1 1 308.303 3.692 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000886355340 1025603920 /nfs/dbraw/zinc/60/39/20/1025603920.db2.gz GRPKUMDQGGOERB-ZDUSSCGKSA-N 1 1 300.789 3.840 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](Cc3coc4ccccc34)CCO2)c1 ZINC000355136812 1025611892 /nfs/dbraw/zinc/61/18/92/1025611892.db2.gz FKWANHDQWRCOIE-HXUWFJFHSA-N 1 1 318.376 3.878 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3coc4ccccc34)CCO2)c1 ZINC000355136812 1025611898 /nfs/dbraw/zinc/61/18/98/1025611898.db2.gz FKWANHDQWRCOIE-HXUWFJFHSA-N 1 1 318.376 3.878 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000893945678 1025619292 /nfs/dbraw/zinc/61/92/92/1025619292.db2.gz JCJYUAJOCJASOB-UHFFFAOYSA-N 1 1 320.396 3.551 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCCC[C@H](SC)C2)cc(OC)c1O ZINC000355219779 1025642619 /nfs/dbraw/zinc/64/26/19/1025642619.db2.gz ZMCKZYQUYCGWER-INIZCTEOSA-N 1 1 321.486 3.847 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCCC[C@@H](SC)C2)cc(OC)c1O ZINC000355219781 1025643321 /nfs/dbraw/zinc/64/33/21/1025643321.db2.gz ZMCKZYQUYCGWER-MRXNPFEDSA-N 1 1 321.486 3.847 20 30 DHEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000805750185 1025657462 /nfs/dbraw/zinc/65/74/62/1025657462.db2.gz XVBFFOCOADQIIN-BEFAXECRSA-N 1 1 307.397 3.567 20 30 DHEDMO C=CCOc1cccc(C[N@H+](C)Cc2ccc(OC)c(O)c2)c1 ZINC000131275174 1025693159 /nfs/dbraw/zinc/69/31/59/1025693159.db2.gz PYRXMRFGIKRSGN-UHFFFAOYSA-N 1 1 313.397 3.598 20 30 DHEDMO C#CC[N@H+](C)C1C[C@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170491489 1025705361 /nfs/dbraw/zinc/70/53/61/1025705361.db2.gz JYYQNGOIOPQSQS-GJZGRUSLSA-N 1 1 308.466 3.508 20 30 DHEDMO CC[C@@H](CC#N)OC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000805928927 1025719919 /nfs/dbraw/zinc/71/99/19/1025719919.db2.gz RXJXGVHRBYRBNX-KRWDZBQOSA-N 1 1 302.418 3.766 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)N[C@H](CCC)c1ccccc1 ZINC000355461267 1025728406 /nfs/dbraw/zinc/72/84/06/1025728406.db2.gz XSCXLFFSAZJLBU-SJLPKXTDSA-N 1 1 300.446 3.707 20 30 DHEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1F ZINC000886617667 1025745375 /nfs/dbraw/zinc/74/53/75/1025745375.db2.gz VMPFIQXKIFJVGW-ZFWWWQNUSA-N 1 1 312.310 3.862 20 30 DHEDMO C=CCCC[C@@H](COc1ccccc1)[NH2+][C@@H](C)c1csnn1 ZINC000886627342 1025746650 /nfs/dbraw/zinc/74/66/50/1025746650.db2.gz ZMQWSPZRVHVTIK-GJZGRUSLSA-N 1 1 317.458 3.993 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1cccc(NC(C)=O)c1 ZINC000072692821 1025762542 /nfs/dbraw/zinc/76/25/42/1025762542.db2.gz OHHAFHMOQMMLQU-UHFFFAOYSA-N 1 1 301.434 3.797 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cccc(NC(C)=O)c1 ZINC000072692821 1025762556 /nfs/dbraw/zinc/76/25/56/1025762556.db2.gz OHHAFHMOQMMLQU-UHFFFAOYSA-N 1 1 301.434 3.797 20 30 DHEDMO C=CCCCCCCCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000806083471 1025768942 /nfs/dbraw/zinc/76/89/42/1025768942.db2.gz ZXMFGMGWTVSSAV-ROUUACIJSA-N 1 1 321.509 3.829 20 30 DHEDMO CC(C)[N@H+]1CCC[C@H](Oc2cc(Br)cc(C#N)c2)C1 ZINC001229283215 1025794412 /nfs/dbraw/zinc/79/44/12/1025794412.db2.gz MAOXUHPZYMKJIY-AWEZNQCLSA-N 1 1 323.234 3.572 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000614171600 1025802238 /nfs/dbraw/zinc/80/22/38/1025802238.db2.gz STDBGDXBBBMCJQ-SFHVURJKSA-N 1 1 310.397 3.654 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@H](c3ccco3)C2)cc1 ZINC000614171600 1025802254 /nfs/dbraw/zinc/80/22/54/1025802254.db2.gz STDBGDXBBBMCJQ-SFHVURJKSA-N 1 1 310.397 3.654 20 30 DHEDMO C=CCC1(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000188770489 1025804911 /nfs/dbraw/zinc/80/49/11/1025804911.db2.gz VNYREUHZXLCHFS-CALCHBBNSA-N 1 1 306.494 3.607 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000614175364 1025810350 /nfs/dbraw/zinc/81/03/50/1025810350.db2.gz JNIXVIFHKPVMKO-INIZCTEOSA-N 1 1 308.429 3.590 20 30 DHEDMO C[C@@H]1CCC[N@H+]1C1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000134768690 1025821811 /nfs/dbraw/zinc/82/18/11/1025821811.db2.gz KLGOOZUCMJPHFG-MRXNPFEDSA-N 1 1 316.876 3.640 20 30 DHEDMO C[N@@H+](CCCSCC#N)Cc1ccccc1Br ZINC000074980747 1025831637 /nfs/dbraw/zinc/83/16/37/1025831637.db2.gz WJHVRNXZQOPSMZ-UHFFFAOYSA-N 1 1 313.264 3.528 20 30 DHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075637847 1025847512 /nfs/dbraw/zinc/84/75/12/1025847512.db2.gz UWWALPDFYJAKLC-XJKSGUPXSA-N 1 1 310.401 3.619 20 30 DHEDMO CCC(CC)C[N@@H+](CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075625955 1025848705 /nfs/dbraw/zinc/84/87/05/1025848705.db2.gz AKTFNIXVRWWHTB-UHFFFAOYSA-N 1 1 312.417 3.866 20 30 DHEDMO N#CC1(CCN2CCC[N@H+](C3CCCC3)CC2)CCCCC1 ZINC000411298124 1025927819 /nfs/dbraw/zinc/92/78/19/1025927819.db2.gz VENOQMSNBRWNDP-UHFFFAOYSA-N 1 1 303.494 3.801 20 30 DHEDMO C[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@@H]1n1ccnc1 ZINC000411394133 1025977456 /nfs/dbraw/zinc/97/74/56/1025977456.db2.gz WLVRBLDJQPJAJP-SJORKVTESA-N 1 1 300.450 3.630 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCS1 ZINC000356209141 1025984606 /nfs/dbraw/zinc/98/46/06/1025984606.db2.gz DNSSURUNNYZVRP-SNVBAGLBSA-N 1 1 300.349 3.514 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCS1 ZINC000356209141 1025984614 /nfs/dbraw/zinc/98/46/14/1025984614.db2.gz DNSSURUNNYZVRP-SNVBAGLBSA-N 1 1 300.349 3.514 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000717452214 1026013710 /nfs/dbraw/zinc/01/37/10/1026013710.db2.gz UCWBQHGIEAEGJS-UHFFFAOYSA-N 1 1 300.229 3.896 20 30 DHEDMO N#CCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000338038964 1026028744 /nfs/dbraw/zinc/02/87/44/1026028744.db2.gz DQSPFLSLAVXUTN-UHFFFAOYSA-N 1 1 300.789 3.922 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000411490315 1026030050 /nfs/dbraw/zinc/03/00/50/1026030050.db2.gz SQBHYQJHXWLJAQ-MRXNPFEDSA-N 1 1 322.412 3.652 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000411490315 1026030063 /nfs/dbraw/zinc/03/00/63/1026030063.db2.gz SQBHYQJHXWLJAQ-MRXNPFEDSA-N 1 1 322.412 3.652 20 30 DHEDMO C[N@@H+](CCc1ccncc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356438224 1026050728 /nfs/dbraw/zinc/05/07/28/1026050728.db2.gz MOYLEDZGDBAPHN-UHFFFAOYSA-N 1 1 319.330 3.647 20 30 DHEDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(C#N)cc1Br ZINC001137638192 1026058827 /nfs/dbraw/zinc/05/88/27/1026058827.db2.gz VURQOXHQYPWXHG-NWDGAFQWSA-N 1 1 307.235 3.941 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)CCc1ccc2c(c1)OCO2 ZINC000887095406 1026075877 /nfs/dbraw/zinc/07/58/77/1026075877.db2.gz KXXIOJSPOWJXHQ-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO C=CCc1cc(C[N@H+](CC)Cc2ccccn2)cc(OC)c1O ZINC000093338747 1026116355 /nfs/dbraw/zinc/11/63/55/1026116355.db2.gz DNFKUTXWZFFNAP-UHFFFAOYSA-N 1 1 312.413 3.546 20 30 DHEDMO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000093844537 1026131468 /nfs/dbraw/zinc/13/14/68/1026131468.db2.gz CCIXYWNCOWRNJC-INIZCTEOSA-N 1 1 315.461 3.628 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000093844537 1026131472 /nfs/dbraw/zinc/13/14/72/1026131472.db2.gz CCIXYWNCOWRNJC-INIZCTEOSA-N 1 1 315.461 3.628 20 30 DHEDMO C=CCCC1(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000356718104 1026143028 /nfs/dbraw/zinc/14/30/28/1026143028.db2.gz XPKKFDRZUSKWBM-HZPDHXFCSA-N 1 1 304.478 3.502 20 30 DHEDMO CC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000532969623 1026152804 /nfs/dbraw/zinc/15/28/04/1026152804.db2.gz MODYGRHDSPWGJZ-HNNXBMFYSA-N 1 1 319.836 3.661 20 30 DHEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC1CCCCC1 ZINC001275501032 1026164206 /nfs/dbraw/zinc/16/42/06/1026164206.db2.gz YDGBUQJFICLZBR-FQEVSTJZSA-N 1 1 318.505 3.990 20 30 DHEDMO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419330635 1026173565 /nfs/dbraw/zinc/17/35/65/1026173565.db2.gz IBYXDMAPOLVHKU-UONOGXRCSA-N 1 1 319.474 3.705 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)cc1C#N ZINC000533079810 1026210580 /nfs/dbraw/zinc/21/05/80/1026210580.db2.gz PVDLRUFWOINDJE-KXBFYZLASA-N 1 1 306.409 3.945 20 30 DHEDMO C=CCCCCC[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808162040 1026219766 /nfs/dbraw/zinc/21/97/66/1026219766.db2.gz FNBJDMJNNHQVOY-QGZVFWFLSA-N 1 1 315.461 3.627 20 30 DHEDMO C=CCCCCC[N@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccncc1 ZINC000808162040 1026219781 /nfs/dbraw/zinc/21/97/81/1026219781.db2.gz FNBJDMJNNHQVOY-QGZVFWFLSA-N 1 1 315.461 3.627 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)s1 ZINC000120543157 1026229969 /nfs/dbraw/zinc/22/99/69/1026229969.db2.gz SKMVHLXWDRDKDD-CYBMUJFWSA-N 1 1 318.467 3.862 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)s1 ZINC000120543157 1026229981 /nfs/dbraw/zinc/22/99/81/1026229981.db2.gz SKMVHLXWDRDKDD-CYBMUJFWSA-N 1 1 318.467 3.862 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000614400952 1026301844 /nfs/dbraw/zinc/30/18/44/1026301844.db2.gz PYKSGLSUPBTUOQ-SFHVURJKSA-N 1 1 306.409 3.865 20 30 DHEDMO CCCCCCCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001131505746 1026423413 /nfs/dbraw/zinc/42/34/13/1026423413.db2.gz YOPYQEYDZZRORG-GOSISDBHSA-N 1 1 302.462 3.595 20 30 DHEDMO C[C@H](c1ccsc1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000614461682 1026438430 /nfs/dbraw/zinc/43/84/30/1026438430.db2.gz GGVQOBGIXNDNFN-CRAIPNDOSA-N 1 1 311.454 3.692 20 30 DHEDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1[N+](=O)[O-] ZINC000151145531 1026455928 /nfs/dbraw/zinc/45/59/28/1026455928.db2.gz LSJCGXIDYCQANH-LBPRGKRZSA-N 1 1 313.332 3.765 20 30 DHEDMO C#Cc1ccc(C[N@H+](C)Cc2cc(OC)c(OC)cc2C)cc1 ZINC000809540030 1026549084 /nfs/dbraw/zinc/54/90/84/1026549084.db2.gz IOKWZRKERNNKBR-UHFFFAOYSA-N 1 1 309.409 3.626 20 30 DHEDMO C#Cc1ccc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000809574546 1026551990 /nfs/dbraw/zinc/55/19/90/1026551990.db2.gz MKRSYTHFMJDBIQ-JOCHJYFZSA-N 1 1 318.464 3.622 20 30 DHEDMO C#Cc1ccc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000809574546 1026552018 /nfs/dbraw/zinc/55/20/18/1026552018.db2.gz MKRSYTHFMJDBIQ-JOCHJYFZSA-N 1 1 318.464 3.622 20 30 DHEDMO C#Cc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000809574546 1026552030 /nfs/dbraw/zinc/55/20/30/1026552030.db2.gz MKRSYTHFMJDBIQ-JOCHJYFZSA-N 1 1 318.464 3.622 20 30 DHEDMO C#Cc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000809574546 1026552036 /nfs/dbraw/zinc/55/20/36/1026552036.db2.gz MKRSYTHFMJDBIQ-JOCHJYFZSA-N 1 1 318.464 3.622 20 30 DHEDMO N#CCC1CC[NH+](Cc2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000809637058 1026578790 /nfs/dbraw/zinc/57/87/90/1026578790.db2.gz OBCYOLOINTWYEQ-UHFFFAOYSA-N 1 1 323.227 3.767 20 30 DHEDMO C#C[C@@H](C)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000809682936 1026591788 /nfs/dbraw/zinc/59/17/88/1026591788.db2.gz IWWAOTDVMFGCJS-SNVBAGLBSA-N 1 1 321.243 3.684 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000809729327 1026595044 /nfs/dbraw/zinc/59/50/44/1026595044.db2.gz SKEIZLVTDRGMRN-BEFAXECRSA-N 1 1 307.397 3.710 20 30 DHEDMO C=CCC[C@H](C(=O)O[C@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000810613971 1026808506 /nfs/dbraw/zinc/80/85/06/1026808506.db2.gz BZUHMYNJXXBMRD-QAPCUYQASA-N 1 1 312.413 3.873 20 30 DHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1ccc(F)cn1 ZINC000747631310 1026850082 /nfs/dbraw/zinc/85/00/82/1026850082.db2.gz IKLPDYOYNZSRJH-UHFFFAOYSA-N 1 1 314.408 3.777 20 30 DHEDMO N#CCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420958223 1026892907 /nfs/dbraw/zinc/89/29/07/1026892907.db2.gz CSVNKBFUBKVNOI-CQSZACIVSA-N 1 1 307.235 3.760 20 30 DHEDMO N#Cc1ccc(CNCc2cccc(C[NH+]3CCCC3)c2)cc1F ZINC000421338435 1026961195 /nfs/dbraw/zinc/96/11/95/1026961195.db2.gz DFKHYVLFEKNYFG-UHFFFAOYSA-N 1 1 323.415 3.583 20 30 DHEDMO C[C@H]1C(N=Nc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000811642629 1027048134 /nfs/dbraw/zinc/04/81/34/1027048134.db2.gz AFBPCJAUQXKIEU-ZDUSSCGKSA-N 1 1 314.820 3.797 20 30 DHEDMO C[C@@H](C[N@@H+](Cc1ccccc1C#N)[C@@H](C)CO)c1ccccc1 ZINC000561909848 1027119698 /nfs/dbraw/zinc/11/96/98/1027119698.db2.gz ACOUALFZLYQONH-IRXDYDNUSA-N 1 1 308.425 3.545 20 30 DHEDMO C=CCSc1ccccc1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000362388361 1027179478 /nfs/dbraw/zinc/17/94/78/1027179478.db2.gz GDABIWDOSRISFZ-OAHLLOKOSA-N 1 1 318.486 3.569 20 30 DHEDMO C#CCC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000362455126 1027214711 /nfs/dbraw/zinc/21/47/11/1027214711.db2.gz WGVPZLLSBCPECB-UHFFFAOYSA-N 1 1 319.408 3.712 20 30 DHEDMO C=CC[N@H+](CN1C[C@@H](c2cccc(Cl)c2)CC1=O)C(C)C ZINC000812281879 1027234002 /nfs/dbraw/zinc/23/40/02/1027234002.db2.gz WTGDIDWJDLYIQE-HNNXBMFYSA-N 1 1 306.837 3.510 20 30 DHEDMO C=CC[N@@H+](CN1C[C@@H](c2cccc(Cl)c2)CC1=O)C(C)C ZINC000812281879 1027234017 /nfs/dbraw/zinc/23/40/17/1027234017.db2.gz WTGDIDWJDLYIQE-HNNXBMFYSA-N 1 1 306.837 3.510 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@@H+](C(C)C)[C@H]2CCOC2)c1O ZINC000812290851 1027236046 /nfs/dbraw/zinc/23/60/46/1027236046.db2.gz GWJBCSFIQLVTBA-KRWDZBQOSA-N 1 1 319.445 3.519 20 30 DHEDMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CC1(C)C ZINC000931990570 1027329729 /nfs/dbraw/zinc/32/97/29/1027329729.db2.gz ZNWFMBHKKPHEBD-CQSZACIVSA-N 1 1 323.481 3.551 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000574126752 1027364089 /nfs/dbraw/zinc/36/40/89/1027364089.db2.gz DKLZXGFCGNWLDQ-QZTJIDSGSA-N 1 1 301.430 3.641 20 30 DHEDMO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000932149730 1027384248 /nfs/dbraw/zinc/38/42/48/1027384248.db2.gz AOLIOXKPMFKIBD-KRWDZBQOSA-N 1 1 313.445 3.566 20 30 DHEDMO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCC[C@@H](C#N)C2)c(C)c1 ZINC000932149730 1027384261 /nfs/dbraw/zinc/38/42/61/1027384261.db2.gz AOLIOXKPMFKIBD-KRWDZBQOSA-N 1 1 313.445 3.566 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932192034 1027402613 /nfs/dbraw/zinc/40/26/13/1027402613.db2.gz ZYHLWQGQEFDYMM-ZDUSSCGKSA-N 1 1 303.475 3.751 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC000932199081 1027408921 /nfs/dbraw/zinc/40/89/21/1027408921.db2.gz VPGWNKJWFGPISU-KRWDZBQOSA-N 1 1 311.454 3.664 20 30 DHEDMO C#C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812794396 1027423094 /nfs/dbraw/zinc/42/30/94/1027423094.db2.gz ZYLRPLHBEFTWJE-QQOXCAACSA-N 1 1 310.328 3.711 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812854720 1027452976 /nfs/dbraw/zinc/45/29/76/1027452976.db2.gz VYRDQSKZZBPDCX-AUUYWEPGSA-N 1 1 312.388 3.641 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170694671 1027493002 /nfs/dbraw/zinc/49/30/02/1027493002.db2.gz IYCGESYJIPESBX-QGZVFWFLSA-N 1 1 312.363 3.826 20 30 DHEDMO N#CCC[C@@H](Nc1nc(N2CCCC2)cc[nH+]1)c1ccccc1 ZINC000747842420 1027566291 /nfs/dbraw/zinc/56/62/91/1027566291.db2.gz HRKHNCYRHPWUSY-MRXNPFEDSA-N 1 1 307.401 3.534 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC1(OC)CCCC1 ZINC000576314576 1027601265 /nfs/dbraw/zinc/60/12/65/1027601265.db2.gz ZCQZVHSQIHPTFL-UHFFFAOYSA-N 1 1 305.466 3.801 20 30 DHEDMO C[C@H](C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CCCCC1 ZINC001170703656 1027605129 /nfs/dbraw/zinc/60/51/29/1027605129.db2.gz RTGCUFMMQONFBV-CRAIPNDOSA-N 1 1 313.445 3.623 20 30 DHEDMO C[C@@H]1C[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)C[N@H+]1C1CC1 ZINC000576512716 1027626640 /nfs/dbraw/zinc/62/66/40/1027626640.db2.gz JQZMZWQGAKNSTJ-ZYHUDNBSSA-N 1 1 309.335 3.614 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(F)cc1 ZINC000778152098 1027665703 /nfs/dbraw/zinc/66/57/03/1027665703.db2.gz QDZVRGOLNXPJLX-UHFFFAOYSA-N 1 1 303.764 3.781 20 30 DHEDMO C[C@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1ccc(C#N)c(F)c1 ZINC000296576647 1027674093 /nfs/dbraw/zinc/67/40/93/1027674093.db2.gz UAJUGQFHKODAPA-JTQLQIEISA-N 1 1 323.293 3.962 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C#N)ccc1F ZINC000047740025 1027679759 /nfs/dbraw/zinc/67/97/59/1027679759.db2.gz OJZYXTKOFXYITQ-UHFFFAOYSA-N 1 1 307.372 3.981 20 30 DHEDMO CCCCCCCCCCNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000813676046 1027693038 /nfs/dbraw/zinc/69/30/38/1027693038.db2.gz FQFANMQSGMLZLH-LJQANCHMSA-N 1 1 323.525 3.864 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778992706 1027728790 /nfs/dbraw/zinc/72/87/90/1027728790.db2.gz XWOWHYKTVNHOET-HRCADAONSA-N 1 1 310.482 3.966 20 30 DHEDMO COc1cccc(C[C@H]2CCC[N@H+]2CC#Cc2ccccc2)c1 ZINC000577454303 1027773122 /nfs/dbraw/zinc/77/31/22/1027773122.db2.gz LOIJZJNIYJNIDT-HXUWFJFHSA-N 1 1 305.421 3.754 20 30 DHEDMO Cc1cc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c(C)s1 ZINC000933623747 1027777084 /nfs/dbraw/zinc/77/70/84/1027777084.db2.gz DMYCVRTUVCZAHU-SFHVURJKSA-N 1 1 312.438 3.810 20 30 DHEDMO Cc1cc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c(C)s1 ZINC000933623747 1027777101 /nfs/dbraw/zinc/77/71/01/1027777101.db2.gz DMYCVRTUVCZAHU-SFHVURJKSA-N 1 1 312.438 3.810 20 30 DHEDMO C=CC1CC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000600681433 1027784723 /nfs/dbraw/zinc/78/47/23/1027784723.db2.gz JNSAIOLXQBIQCI-UHFFFAOYSA-N 1 1 324.218 3.576 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](c3ccco3)C2)c1C ZINC000600689114 1027791695 /nfs/dbraw/zinc/79/16/95/1027791695.db2.gz ARXWTVLGZCPBPX-INIZCTEOSA-N 1 1 312.413 3.556 20 30 DHEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000933770678 1027820693 /nfs/dbraw/zinc/82/06/93/1027820693.db2.gz QXKJFPCZQFPURI-YPMHNXCESA-N 1 1 318.364 3.552 20 30 DHEDMO COc1cncc(/C=C/CC[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933770337 1027822823 /nfs/dbraw/zinc/82/28/23/1027822823.db2.gz JGQQQYZCEGINGB-HWKANZROSA-N 1 1 313.426 3.559 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](Cc1ccoc1)C1CC1)c1ccccc1 ZINC000934002707 1027879748 /nfs/dbraw/zinc/87/97/48/1027879748.db2.gz AZLYBNQTWUUNPO-FQEVSTJZSA-N 1 1 322.408 3.685 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+](Cc1ccoc1)C1CC1)c1ccccc1 ZINC000934002707 1027879767 /nfs/dbraw/zinc/87/97/67/1027879767.db2.gz AZLYBNQTWUUNPO-FQEVSTJZSA-N 1 1 322.408 3.685 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000365234642 1027908533 /nfs/dbraw/zinc/90/85/33/1027908533.db2.gz OVXJSEVUWUCFRA-INIZCTEOSA-N 1 1 310.372 3.695 20 30 DHEDMO C[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000600937200 1027910111 /nfs/dbraw/zinc/91/01/11/1027910111.db2.gz SMPFYBZYTSPGAK-SFHVURJKSA-N 1 1 324.449 3.571 20 30 DHEDMO C[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000600937200 1027910129 /nfs/dbraw/zinc/91/01/29/1027910129.db2.gz SMPFYBZYTSPGAK-SFHVURJKSA-N 1 1 324.449 3.571 20 30 DHEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000934273564 1027947851 /nfs/dbraw/zinc/94/78/51/1027947851.db2.gz FVRSGBIETVIQHQ-SCTDSRPQSA-N 1 1 314.473 3.758 20 30 DHEDMO N#Cc1c(F)ccc(C[NH+]2CCC([C@@H]3CCOC3)CC2)c1Cl ZINC000365439828 1027948814 /nfs/dbraw/zinc/94/88/14/1027948814.db2.gz SJTYOFQLTMEDTH-CQSZACIVSA-N 1 1 322.811 3.599 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934328921 1027966844 /nfs/dbraw/zinc/96/68/44/1027966844.db2.gz MNLNLWAMAHVPAW-OAHLLOKOSA-N 1 1 311.454 3.696 20 30 DHEDMO C=CC(C)(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000448705275 1027990516 /nfs/dbraw/zinc/99/05/16/1027990516.db2.gz SQMCEKNUABJHNG-INIZCTEOSA-N 1 1 314.473 3.747 20 30 DHEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1cccc(Cl)c1 ZINC000048334934 1027996009 /nfs/dbraw/zinc/99/60/09/1027996009.db2.gz XXSHSYLYLABUFT-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000934460669 1028010452 /nfs/dbraw/zinc/01/04/52/1028010452.db2.gz NJQSQZPOILTCIP-ZYHUDNBSSA-N 1 1 302.447 3.602 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000934460669 1028010472 /nfs/dbraw/zinc/01/04/72/1028010472.db2.gz NJQSQZPOILTCIP-ZYHUDNBSSA-N 1 1 302.447 3.602 20 30 DHEDMO C[C@H](C1CCCCC1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000577995863 1028012282 /nfs/dbraw/zinc/01/22/82/1028012282.db2.gz KBMIUUAQLVWGDM-OAHLLOKOSA-N 1 1 313.445 3.787 20 30 DHEDMO C=CC[C@@H]1CC[N@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000934473264 1028015527 /nfs/dbraw/zinc/01/55/27/1028015527.db2.gz VJLGZRNUONRCIZ-CYBMUJFWSA-N 1 1 323.318 3.906 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000934473264 1028015549 /nfs/dbraw/zinc/01/55/49/1028015549.db2.gz VJLGZRNUONRCIZ-CYBMUJFWSA-N 1 1 323.318 3.906 20 30 DHEDMO C=CCCC[N@@H+](CC)Cc1nc(COc2ccc(F)cc2)no1 ZINC000934650542 1028065427 /nfs/dbraw/zinc/06/54/27/1028065427.db2.gz KXFVPTJEPCDVHN-UHFFFAOYSA-N 1 1 319.380 3.576 20 30 DHEDMO C=CCCC[N@H+](CC)Cc1nc(COc2ccc(F)cc2)no1 ZINC000934650542 1028065446 /nfs/dbraw/zinc/06/54/46/1028065446.db2.gz KXFVPTJEPCDVHN-UHFFFAOYSA-N 1 1 319.380 3.576 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000934878527 1028136353 /nfs/dbraw/zinc/13/63/53/1028136353.db2.gz NGQAIEKQIDCMOQ-OAHLLOKOSA-N 1 1 301.434 3.525 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000934877739 1028136621 /nfs/dbraw/zinc/13/66/21/1028136621.db2.gz SORFCGMPDNUBJN-WMLDXEAASA-N 1 1 301.434 3.666 20 30 DHEDMO C=C(C)c1cccc(NC(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000934884715 1028142343 /nfs/dbraw/zinc/14/23/43/1028142343.db2.gz DOTAVUYCYRCBPA-UHFFFAOYSA-N 1 1 301.434 3.716 20 30 DHEDMO C=C(Br)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000747969100 1028167746 /nfs/dbraw/zinc/16/77/46/1028167746.db2.gz BGLKMKPMVWEKOB-UHFFFAOYSA-N 1 1 302.256 3.709 20 30 DHEDMO C=C[C@H](CC)CC(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000935216914 1028223374 /nfs/dbraw/zinc/22/33/74/1028223374.db2.gz YCOZDVCWGNRTMW-QGZVFWFLSA-N 1 1 320.521 3.949 20 30 DHEDMO C=C[C@H](CC)CC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000935285652 1028238179 /nfs/dbraw/zinc/23/81/79/1028238179.db2.gz BSEGXKBKBWHGLF-LMMKCTJWSA-N 1 1 314.473 3.616 20 30 DHEDMO C[C@H]1C(=NO[C@@H]2CCCCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000814886969 1028262969 /nfs/dbraw/zinc/26/29/69/1028262969.db2.gz DETYAOMSZUPDIB-MAUKXSAKSA-N 1 1 302.418 3.570 20 30 DHEDMO CC(=NNc1cc[nH+]cc1)c1sc(-c2ccccc2)nc1C ZINC000814899753 1028268734 /nfs/dbraw/zinc/26/87/34/1028268734.db2.gz LKZZBMDJPDYGGU-UHFFFAOYSA-N 1 1 308.410 3.772 20 30 DHEDMO CCOc1ccc(N[NH+]=Cc2ccc(N(C)C(C)C)nc2)cc1 ZINC000814984917 1028318468 /nfs/dbraw/zinc/31/84/68/1028318468.db2.gz LWXVAQSOZUZXHB-UHFFFAOYSA-N 1 1 312.417 3.771 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000368270252 1028328650 /nfs/dbraw/zinc/32/86/50/1028328650.db2.gz UQVODSCKYQHCAX-GUDVDZBRSA-N 1 1 316.420 3.603 20 30 DHEDMO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000368366390 1028343319 /nfs/dbraw/zinc/34/33/19/1028343319.db2.gz CKFJKLINBUQQLU-AQNXPRMDSA-N 1 1 311.473 3.571 20 30 DHEDMO CC(C)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)N1CCCCCC1 ZINC000449079640 1028344950 /nfs/dbraw/zinc/34/49/50/1028344950.db2.gz ZPBOHXNUOXUVLO-XBMUEBEBSA-N 1 1 305.510 3.949 20 30 DHEDMO CCc1nc([C@@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)no1 ZINC000368436755 1028356602 /nfs/dbraw/zinc/35/66/02/1028356602.db2.gz BFFGHQDSTVOSDF-CQSZACIVSA-N 1 1 304.438 3.531 20 30 DHEDMO CC1CCC2(CC[N@@H+](CCCC3(C#N)CCOCC3)C2)CC1 ZINC000368530666 1028369413 /nfs/dbraw/zinc/36/94/13/1028369413.db2.gz ORWYOALPPDPBEV-UHFFFAOYSA-N 1 1 304.478 3.989 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)cc1 ZINC000815152375 1028383821 /nfs/dbraw/zinc/38/38/21/1028383821.db2.gz NFPYZDOICOMKJI-NSHDSACASA-N 1 1 320.314 3.685 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)cc1 ZINC000368636898 1028388227 /nfs/dbraw/zinc/38/82/27/1028388227.db2.gz IZWIBALXZPRZGG-CVEARBPZSA-N 1 1 322.408 3.761 20 30 DHEDMO C=CCCCC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000579363993 1028392216 /nfs/dbraw/zinc/39/22/16/1028392216.db2.gz ORLJZCVEPNAHBM-MRXNPFEDSA-N 1 1 320.502 3.693 20 30 DHEDMO Cc1cc(C#N)ccc1C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000368831770 1028414112 /nfs/dbraw/zinc/41/41/12/1028414112.db2.gz BRKDVINJIQIJNZ-UHFFFAOYSA-N 1 1 317.392 3.597 20 30 DHEDMO C=C(C)C[N@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815204284 1028426184 /nfs/dbraw/zinc/42/61/84/1028426184.db2.gz QHAWEYOUYAKVBN-HZPDHXFCSA-N 1 1 308.466 3.674 20 30 DHEDMO C=CCC[N@@H+]1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815203213 1028426597 /nfs/dbraw/zinc/42/65/97/1028426597.db2.gz UXYKWUQQNKFKDY-HOTGVXAUSA-N 1 1 308.466 3.674 20 30 DHEDMO C=C(C)C[N@H+]1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815204283 1028426770 /nfs/dbraw/zinc/42/67/70/1028426770.db2.gz QHAWEYOUYAKVBN-HOTGVXAUSA-N 1 1 308.466 3.674 20 30 DHEDMO COCC[N@@H+](CC(C)(C)CCC#N)[C@@H]1CCCc2cccnc21 ZINC000369016002 1028436456 /nfs/dbraw/zinc/43/64/56/1028436456.db2.gz CXWFCGMBSMGLHL-QGZVFWFLSA-N 1 1 315.461 3.737 20 30 DHEDMO C=CC[C@H](C(=O)N1CCC(n2c[nH+]cc2C)CC1)c1ccccc1 ZINC000369153915 1028453318 /nfs/dbraw/zinc/45/33/18/1028453318.db2.gz GSBCELAYOXBNKJ-IBGZPJMESA-N 1 1 323.440 3.715 20 30 DHEDMO C=CCOc1ccccc1C[NH2+][C@@H](c1ccccc1F)[C@H](C)O ZINC000564459288 1028456288 /nfs/dbraw/zinc/45/62/88/1028456288.db2.gz TXJLOBWOYLORDH-IFXJQAMLSA-N 1 1 315.388 3.602 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000187721428 1028474299 /nfs/dbraw/zinc/47/42/99/1028474299.db2.gz WXXWTASOGSRQOV-LIRRHRJNSA-N 1 1 310.372 3.912 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H](COCC)C1 ZINC000779158633 1028480306 /nfs/dbraw/zinc/48/03/06/1028480306.db2.gz UYHKRLDWUYLGAF-HNNXBMFYSA-N 1 1 321.848 3.601 20 30 DHEDMO C[N@H+]1CC[C@@H](CNc2ccc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000369562015 1028501804 /nfs/dbraw/zinc/50/18/04/1028501804.db2.gz VVGQHXGQJHPSEM-SUMWQHHRSA-N 1 1 315.417 3.864 20 30 DHEDMO Cc1ccc(NC(=O)C[NH+]2CCC(CCC#N)CC2)cc1Cl ZINC000564915944 1028519277 /nfs/dbraw/zinc/51/92/77/1028519277.db2.gz GLYAURQKLHIWLQ-UHFFFAOYSA-N 1 1 319.836 3.603 20 30 DHEDMO C[N@H+](CCCCC#N)[C@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000370077957 1028560671 /nfs/dbraw/zinc/56/06/71/1028560671.db2.gz PHMHDXQMQHEWLF-MRXNPFEDSA-N 1 1 314.820 3.845 20 30 DHEDMO C[N@@H+](CCCCC#N)[C@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000370077957 1028560674 /nfs/dbraw/zinc/56/06/74/1028560674.db2.gz PHMHDXQMQHEWLF-MRXNPFEDSA-N 1 1 314.820 3.845 20 30 DHEDMO Cn1cc(C[N@@H+](C2CC2)C2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000370367959 1028594498 /nfs/dbraw/zinc/59/44/98/1028594498.db2.gz RDYUAIVTKSHVIS-UHFFFAOYSA-N 1 1 320.440 3.866 20 30 DHEDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000370414816 1028599358 /nfs/dbraw/zinc/59/93/58/1028599358.db2.gz LLVYFKVHIWBYQR-SFHVURJKSA-N 1 1 313.832 3.571 20 30 DHEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000370414816 1028599364 /nfs/dbraw/zinc/59/93/64/1028599364.db2.gz LLVYFKVHIWBYQR-SFHVURJKSA-N 1 1 313.832 3.571 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3C[C@@H]4CCCCCC[C@@H]43)o2)cc1 ZINC000370546715 1028615787 /nfs/dbraw/zinc/61/57/87/1028615787.db2.gz MUBHWICFGQKTIX-IRXDYDNUSA-N 1 1 322.412 3.763 20 30 DHEDMO CC[C@@H]1C[N@@H+](CCCCC#N)[C@H](CC)CN1CCCCC#N ZINC000119074590 1028643986 /nfs/dbraw/zinc/64/39/86/1028643986.db2.gz YEGCUSTUSXSAMJ-QZTJIDSGSA-N 1 1 304.482 3.549 20 30 DHEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000565978517 1028663037 /nfs/dbraw/zinc/66/30/37/1028663037.db2.gz RJGWWSVIMMAHHA-UIVXKWKOSA-N 1 1 311.473 3.502 20 30 DHEDMO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000565978517 1028663039 /nfs/dbraw/zinc/66/30/39/1028663039.db2.gz RJGWWSVIMMAHHA-UIVXKWKOSA-N 1 1 311.473 3.502 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000371334294 1028693799 /nfs/dbraw/zinc/69/37/99/1028693799.db2.gz DXOOJUSTSWPHJX-HXUWFJFHSA-N 1 1 322.383 3.520 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(N(C)CCC#N)cc2)no1 ZINC000371395923 1028702581 /nfs/dbraw/zinc/70/25/81/1028702581.db2.gz LELYSHAVYFZZSP-IBGZPJMESA-N 1 1 324.428 3.670 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(N(C)CCC#N)cc2)no1 ZINC000371395923 1028702598 /nfs/dbraw/zinc/70/25/98/1028702598.db2.gz LELYSHAVYFZZSP-IBGZPJMESA-N 1 1 324.428 3.670 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)cc1Cl ZINC000449500654 1028718238 /nfs/dbraw/zinc/71/82/38/1028718238.db2.gz NCMRCFMDZMKWCX-BBRMVZONSA-N 1 1 309.837 3.762 20 30 DHEDMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CCCCC#N ZINC000371518927 1028724661 /nfs/dbraw/zinc/72/46/61/1028724661.db2.gz UQVDXOGQEAWIBQ-HOTGVXAUSA-N 1 1 321.465 3.544 20 30 DHEDMO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1O ZINC000371562507 1028731395 /nfs/dbraw/zinc/73/13/95/1028731395.db2.gz VZSJGRZYBBKRGS-ZWKOTPCHSA-N 1 1 322.408 3.673 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1O ZINC000371562507 1028731407 /nfs/dbraw/zinc/73/14/07/1028731407.db2.gz VZSJGRZYBBKRGS-ZWKOTPCHSA-N 1 1 322.408 3.673 20 30 DHEDMO C[C@H]1CN(Cc2ccccc2)CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000449555769 1028795495 /nfs/dbraw/zinc/79/54/95/1028795495.db2.gz RXMXLEMOXKXHKR-SFHVURJKSA-N 1 1 313.489 3.770 20 30 DHEDMO N#Cc1csc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)c1 ZINC000449584338 1028829113 /nfs/dbraw/zinc/82/91/13/1028829113.db2.gz JNHRITMGOFDLMK-LBPRGKRZSA-N 1 1 308.328 3.814 20 30 DHEDMO C=CCCCCCN(C)C(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000372447222 1028858529 /nfs/dbraw/zinc/85/85/29/1028858529.db2.gz PQIPLOZREVQZFJ-HNNXBMFYSA-N 1 1 317.477 3.843 20 30 DHEDMO N#Cc1ccc(C(F)(F)F)c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000372702035 1028883831 /nfs/dbraw/zinc/88/38/31/1028883831.db2.gz FTUQPMFLZHHAAH-STQMWFEESA-N 1 1 309.335 3.616 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cn1ccc(-c2ccsc2)n1 ZINC000778585764 1028888988 /nfs/dbraw/zinc/88/89/88/1028888988.db2.gz UYHWWJPXXIFDQX-UHFFFAOYSA-N 1 1 313.426 3.893 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cn1ccc(-c2ccsc2)n1 ZINC000778585764 1028889008 /nfs/dbraw/zinc/88/90/08/1028889008.db2.gz UYHWWJPXXIFDQX-UHFFFAOYSA-N 1 1 313.426 3.893 20 30 DHEDMO C#CCCCCC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816450901 1028890037 /nfs/dbraw/zinc/89/00/37/1028890037.db2.gz DXTAKTXSQJNJFX-PKOBYXMFSA-N 1 1 313.441 3.634 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cccc(CC#N)c1 ZINC000449703656 1028937526 /nfs/dbraw/zinc/93/75/26/1028937526.db2.gz UOBQIQNDXZFHCF-OXQOHEQNSA-N 1 1 305.425 3.685 20 30 DHEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567739212 1028943940 /nfs/dbraw/zinc/94/39/40/1028943940.db2.gz FROXCIAALWZGIT-RDTXWAMCSA-N 1 1 321.380 3.844 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]Cc1cc(OC)ccc1F ZINC000567761128 1028950960 /nfs/dbraw/zinc/95/09/60/1028950960.db2.gz XHVXGKYRLKZOLP-UHFFFAOYSA-N 1 1 301.361 3.689 20 30 DHEDMO N#CC(CC[N@H+]1CCCOCC1)(c1ccccc1)c1ccccc1 ZINC000373118535 1028956714 /nfs/dbraw/zinc/95/67/14/1028956714.db2.gz SKGDQQTWMGCXGX-UHFFFAOYSA-N 1 1 320.436 3.609 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@H]1C ZINC000816648504 1028972177 /nfs/dbraw/zinc/97/21/77/1028972177.db2.gz LJMSJZIGCQSEMI-HOTGVXAUSA-N 1 1 306.409 3.977 20 30 DHEDMO C=CCC1(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CCCC1 ZINC000449813871 1029025917 /nfs/dbraw/zinc/02/59/17/1029025917.db2.gz ZKXJOTULPAIAKW-KSZLIROESA-N 1 1 318.505 3.987 20 30 DHEDMO Cc1ccnc([C@@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)c1 ZINC000568289526 1029041568 /nfs/dbraw/zinc/04/15/68/1029041568.db2.gz ITAMOHBGXFREME-QGZVFWFLSA-N 1 1 310.828 3.884 20 30 DHEDMO Cc1ccnc([C@@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)c1 ZINC000568289526 1029041572 /nfs/dbraw/zinc/04/15/72/1029041572.db2.gz ITAMOHBGXFREME-QGZVFWFLSA-N 1 1 310.828 3.884 20 30 DHEDMO CC[N@H+](CC(=O)Nc1ccccc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000042741498 1029059758 /nfs/dbraw/zinc/05/97/58/1029059758.db2.gz ATODRCPXUJGTPJ-MRXNPFEDSA-N 1 1 321.424 3.888 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccccc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000042741498 1029059772 /nfs/dbraw/zinc/05/97/72/1029059772.db2.gz ATODRCPXUJGTPJ-MRXNPFEDSA-N 1 1 321.424 3.888 20 30 DHEDMO C=CCC1(C(=O)N2CCC(Nc3cccc(C)[nH+]3)CC2)CCC1 ZINC000373616472 1029092199 /nfs/dbraw/zinc/09/21/99/1029092199.db2.gz UIWQIMAKCKGUMP-UHFFFAOYSA-N 1 1 313.445 3.539 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411339404 1029108968 /nfs/dbraw/zinc/10/89/68/1029108968.db2.gz YYWYRMSMPBXMDP-HNNXBMFYSA-N 1 1 306.450 3.657 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411339404 1029108973 /nfs/dbraw/zinc/10/89/73/1029108973.db2.gz YYWYRMSMPBXMDP-HNNXBMFYSA-N 1 1 306.450 3.657 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000411400538 1029121505 /nfs/dbraw/zinc/12/15/05/1029121505.db2.gz UPJFGZRXCLCOFB-STQMWFEESA-N 1 1 301.365 3.839 20 30 DHEDMO CC[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCN1CC(F)F ZINC000411415723 1029122527 /nfs/dbraw/zinc/12/25/27/1029122527.db2.gz BZARUSVMDDJBGP-OAHLLOKOSA-N 1 1 313.436 3.512 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000411400537 1029123210 /nfs/dbraw/zinc/12/32/10/1029123210.db2.gz UPJFGZRXCLCOFB-QWHCGFSZSA-N 1 1 301.365 3.839 20 30 DHEDMO N#CCC[C@H](C#N)C[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000568779908 1029123773 /nfs/dbraw/zinc/12/37/73/1029123773.db2.gz SGHRJDSDQUHUIQ-MRXNPFEDSA-N 1 1 318.424 3.858 20 30 DHEDMO N#Cc1cnc(C[NH2+][C@H](CC2CCCC2)c2ccccc2)nc1 ZINC000568858125 1029136361 /nfs/dbraw/zinc/13/63/61/1029136361.db2.gz JGUJFTXFWAYMKC-GOSISDBHSA-N 1 1 306.413 3.759 20 30 DHEDMO CC[C@H](C(=O)Nc1cc(C#N)ccc1C)[N@@H+](C)Cc1ccccc1 ZINC000568937017 1029147225 /nfs/dbraw/zinc/14/72/25/1029147225.db2.gz PZIMBWLJYXFBRS-LJQANCHMSA-N 1 1 321.424 3.716 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCC1=O ZINC000411559009 1029159764 /nfs/dbraw/zinc/15/97/64/1029159764.db2.gz MWFQHPYTCHMWGB-OAHLLOKOSA-N 1 1 304.393 3.636 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCC1=O ZINC000411559009 1029159772 /nfs/dbraw/zinc/15/97/72/1029159772.db2.gz MWFQHPYTCHMWGB-OAHLLOKOSA-N 1 1 304.393 3.636 20 30 DHEDMO CC1(C)C[N@@H+](C[C@H](O)c2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC001170869704 1029173344 /nfs/dbraw/zinc/17/33/44/1029173344.db2.gz BILUJGUOJNHWRN-DOTOQJQBSA-N 1 1 312.438 3.736 20 30 DHEDMO Cc1c(Cl)cccc1N1CCC[N@H+]([C@@H](C)CCC#N)CC1 ZINC000411697230 1029183385 /nfs/dbraw/zinc/18/33/85/1029183385.db2.gz KLMZDVAWSXGSBX-AWEZNQCLSA-N 1 1 305.853 3.853 20 30 DHEDMO C[C@H]1C[C@H]1[N@H+]1CCN(CCC2(C#N)CCCCC2)C[C@@H](C)C1 ZINC000411762616 1029202995 /nfs/dbraw/zinc/20/29/95/1029202995.db2.gz XKBGNKAUNMYBKX-FGTMMUONSA-N 1 1 303.494 3.513 20 30 DHEDMO C[C@H]1C[C@H]1N1CC[N@H+](CCC2(C#N)CCCCC2)C[C@@H](C)C1 ZINC000411762616 1029203009 /nfs/dbraw/zinc/20/30/09/1029203009.db2.gz XKBGNKAUNMYBKX-FGTMMUONSA-N 1 1 303.494 3.513 20 30 DHEDMO C[C@H]1C[C@H]1N1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@@H](C)C1 ZINC000411762616 1029203017 /nfs/dbraw/zinc/20/30/17/1029203017.db2.gz XKBGNKAUNMYBKX-FGTMMUONSA-N 1 1 303.494 3.513 20 30 DHEDMO C[C@@H]([N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1)C(C)(C)O ZINC000411792241 1029209543 /nfs/dbraw/zinc/20/95/43/1029209543.db2.gz QKXPCKBZPNFCBC-OAHLLOKOSA-N 1 1 308.425 3.816 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000411796200 1029209692 /nfs/dbraw/zinc/20/96/92/1029209692.db2.gz VQSANMPKRJFSRR-GXTWGEPZSA-N 1 1 307.235 3.931 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCSC3(CCC3)CC2)c1 ZINC000411873931 1029229164 /nfs/dbraw/zinc/22/91/64/1029229164.db2.gz YUNBVHSPLPTZDE-UHFFFAOYSA-N 1 1 316.470 3.689 20 30 DHEDMO C=C(C)CC[N@H+](C[C@@H](O)COc1ccccc1SC)C(C)C ZINC000411977820 1029270282 /nfs/dbraw/zinc/27/02/82/1029270282.db2.gz BMWHIUBFZHNUSD-MRXNPFEDSA-N 1 1 323.502 3.825 20 30 DHEDMO COc1cccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1O ZINC000374284136 1029273581 /nfs/dbraw/zinc/27/35/81/1029273581.db2.gz OEJKGSYBGXXEKA-UHFFFAOYSA-N 1 1 320.392 3.562 20 30 DHEDMO C=CCSc1ccccc1NC(=O)Cn1cc[nH+]c1C1CC1 ZINC000629263093 1029294646 /nfs/dbraw/zinc/29/46/46/1029294646.db2.gz QWNPOAJIODCAGK-UHFFFAOYSA-N 1 1 313.426 3.677 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C1CC(C)(C)C1 ZINC000412030044 1029300031 /nfs/dbraw/zinc/30/00/31/1029300031.db2.gz DJLRYEAYJHDKDF-UHFFFAOYSA-N 1 1 319.474 3.686 20 30 DHEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC(C)(C)C1 ZINC000412029077 1029300387 /nfs/dbraw/zinc/30/03/87/1029300387.db2.gz CHMLIVWAWMNKGE-UHFFFAOYSA-N 1 1 322.456 3.969 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170887083 1029336441 /nfs/dbraw/zinc/33/64/41/1029336441.db2.gz SWVAICOLKWQYIX-GUYCJALGSA-N 1 1 318.258 3.652 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170887081 1029336564 /nfs/dbraw/zinc/33/65/64/1029336564.db2.gz SWVAICOLKWQYIX-CXAGYDPISA-N 1 1 318.258 3.652 20 30 DHEDMO Cc1[nH+]ccn1CCCCNc1ccc(C#N)cc1C(F)(F)F ZINC000078336125 1029372548 /nfs/dbraw/zinc/37/25/48/1029372548.db2.gz OTNQDAQVMCXZRI-UHFFFAOYSA-N 1 1 322.334 3.974 20 30 DHEDMO N#Cc1c(Cl)cccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000450349596 1029391696 /nfs/dbraw/zinc/39/16/96/1029391696.db2.gz VEVPPGAJMJEEHR-UHFFFAOYSA-N 1 1 303.837 3.666 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2nccc(C)c2C#N)cc1 ZINC000374582963 1029395939 /nfs/dbraw/zinc/39/59/39/1029395939.db2.gz FDHVRFVPXBRYOP-CQSZACIVSA-N 1 1 317.396 3.929 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1csc(Cl)c1 ZINC001276205337 1029414054 /nfs/dbraw/zinc/41/40/54/1029414054.db2.gz KFCDXANSBXILGS-INIZCTEOSA-N 1 1 324.877 3.545 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1csc(Cl)c1 ZINC001276205337 1029414064 /nfs/dbraw/zinc/41/40/64/1029414064.db2.gz KFCDXANSBXILGS-INIZCTEOSA-N 1 1 324.877 3.545 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000374741705 1029448262 /nfs/dbraw/zinc/44/82/62/1029448262.db2.gz CQAWXVOKJJVVLI-HNAYVOBHSA-N 1 1 316.408 3.916 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+](Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000156414485 1029449296 /nfs/dbraw/zinc/44/92/96/1029449296.db2.gz SZMWBBXHAODWNQ-FQEVSTJZSA-N 1 1 324.399 3.643 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000302740908 1029476991 /nfs/dbraw/zinc/47/69/91/1029476991.db2.gz KKTCEBBJBPTRFT-AEFFLSMTSA-N 1 1 302.462 3.931 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)o1 ZINC000529664548 1029497236 /nfs/dbraw/zinc/49/72/36/1029497236.db2.gz QQJMBGBCNVSUDG-LJQANCHMSA-N 1 1 308.381 3.511 20 30 DHEDMO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC2(C#N)CCC2)CC1 ZINC000450495302 1029516023 /nfs/dbraw/zinc/51/60/23/1029516023.db2.gz UKAWMONAOGCHCJ-QGZVFWFLSA-N 1 1 303.494 3.657 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(CC2(C#N)CCC2)CC1 ZINC000450495302 1029516028 /nfs/dbraw/zinc/51/60/28/1029516028.db2.gz UKAWMONAOGCHCJ-QGZVFWFLSA-N 1 1 303.494 3.657 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000121160965 1029536725 /nfs/dbraw/zinc/53/67/25/1029536725.db2.gz VHWRRQZIZDVQOO-LLVKDONJSA-N 1 1 304.463 3.849 20 30 DHEDMO Cc1ccc(Br)cc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000450611912 1029578566 /nfs/dbraw/zinc/57/85/66/1029578566.db2.gz JLIYYXGQRCCLCC-NSHDSACASA-N 1 1 307.235 3.882 20 30 DHEDMO Cc1ccc(Br)cc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000450611912 1029578573 /nfs/dbraw/zinc/57/85/73/1029578573.db2.gz JLIYYXGQRCCLCC-NSHDSACASA-N 1 1 307.235 3.882 20 30 DHEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CC4(C#N)CCC4)C3)nc2c1 ZINC000450634104 1029591859 /nfs/dbraw/zinc/59/18/59/1029591859.db2.gz DPJZYRRONZTYPW-OAHLLOKOSA-N 1 1 308.429 3.745 20 30 DHEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](CC4(C#N)CCC4)C3)[nH]c2c1 ZINC000450634104 1029591864 /nfs/dbraw/zinc/59/18/64/1029591864.db2.gz DPJZYRRONZTYPW-OAHLLOKOSA-N 1 1 308.429 3.745 20 30 DHEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](CC4(C#N)CCC4)C3)[nH]c2c1 ZINC000450634104 1029591871 /nfs/dbraw/zinc/59/18/71/1029591871.db2.gz DPJZYRRONZTYPW-OAHLLOKOSA-N 1 1 308.429 3.745 20 30 DHEDMO C[C@@H](N=NCC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccncc1 ZINC000819816510 1029613012 /nfs/dbraw/zinc/61/30/12/1029613012.db2.gz KHPQXDQJJWWRSD-QGZVFWFLSA-N 1 1 324.472 3.876 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1(C#N)CCC1 ZINC000450944036 1029745326 /nfs/dbraw/zinc/74/53/26/1029745326.db2.gz TXRKQZJKFIESAJ-GOSISDBHSA-N 1 1 311.473 3.571 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccncc3)C2)c(Cl)c1 ZINC000451000195 1029763417 /nfs/dbraw/zinc/76/34/17/1029763417.db2.gz DSESHTMQVCZDCG-MRXNPFEDSA-N 1 1 311.816 3.986 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303549428 1029782270 /nfs/dbraw/zinc/78/22/70/1029782270.db2.gz JJYMKECMEKARBD-MJGOQNOKSA-N 1 1 304.478 3.622 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@H](C)CCC)cc1 ZINC001168126937 1029783386 /nfs/dbraw/zinc/78/33/86/1029783386.db2.gz SLNFXZUXTPNABO-VQIMIIECSA-N 1 1 312.457 3.897 20 30 DHEDMO N#CCCC[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccccc1 ZINC000451067517 1029785999 /nfs/dbraw/zinc/78/59/99/1029785999.db2.gz XHLGCWQAEFMWMW-HNNXBMFYSA-N 1 1 312.442 3.940 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451281465 1029835593 /nfs/dbraw/zinc/83/55/93/1029835593.db2.gz JNKYFTYDGKDNPV-MJGOQNOKSA-N 1 1 318.436 3.506 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451281463 1029836232 /nfs/dbraw/zinc/83/62/32/1029836232.db2.gz JNKYFTYDGKDNPV-HKUYNNGSSA-N 1 1 318.436 3.506 20 30 DHEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000451410925 1029870882 /nfs/dbraw/zinc/87/08/82/1029870882.db2.gz UEKVQJGAMQVXOR-GXFFZTMASA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000451410925 1029870888 /nfs/dbraw/zinc/87/08/88/1029870888.db2.gz UEKVQJGAMQVXOR-GXFFZTMASA-N 1 1 300.299 3.860 20 30 DHEDMO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1ccc(C)cc1 ZINC000794855596 1029947631 /nfs/dbraw/zinc/94/76/31/1029947631.db2.gz WCWHXYVDLYADQX-UHFFFAOYSA-N 1 1 305.385 3.517 20 30 DHEDMO C=C(C)CN1c2ccccc2[C@@]2(CC[N@H+](CC/C=C\CC)C2)C1=O ZINC001276260058 1029966870 /nfs/dbraw/zinc/96/68/70/1029966870.db2.gz WQOWYJZMJAAIHC-RMUOZIPVSA-N 1 1 324.468 3.909 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000451902500 1030055119 /nfs/dbraw/zinc/05/51/19/1030055119.db2.gz OMVDJDNFHXLEDC-QGZVFWFLSA-N 1 1 323.358 3.559 20 30 DHEDMO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000451953644 1030078427 /nfs/dbraw/zinc/07/84/27/1030078427.db2.gz KSFCTQKNGXOPGF-UONOGXRCSA-N 1 1 310.401 3.619 20 30 DHEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000822650612 1030087426 /nfs/dbraw/zinc/08/74/26/1030087426.db2.gz SSCJZVUFMQVXQI-NSHDSACASA-N 1 1 311.172 3.737 20 30 DHEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000357528267 1030091648 /nfs/dbraw/zinc/09/16/48/1030091648.db2.gz KICWXCFRJNHMBD-SWLSCSKDSA-N 1 1 319.836 3.803 20 30 DHEDMO C=CC[N@@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000357552331 1030103119 /nfs/dbraw/zinc/10/31/19/1030103119.db2.gz MBHAVKOZFCUDCK-LJQANCHMSA-N 1 1 318.269 3.751 20 30 DHEDMO C=CC[N@H+](CC[S@@](=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000357552331 1030103125 /nfs/dbraw/zinc/10/31/25/1030103125.db2.gz MBHAVKOZFCUDCK-LJQANCHMSA-N 1 1 318.269 3.751 20 30 DHEDMO CC(C)[N@H+](C)C[C@@H](C)Nc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000357566445 1030108808 /nfs/dbraw/zinc/10/88/08/1030108808.db2.gz MDFUPFUMZFTPDY-LLVKDONJSA-N 1 1 318.371 3.525 20 30 DHEDMO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000357612266 1030125243 /nfs/dbraw/zinc/12/52/43/1030125243.db2.gz JJXIRTWTCAFGQB-GFCCVEGCSA-N 1 1 317.339 3.748 20 30 DHEDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000357612266 1030125252 /nfs/dbraw/zinc/12/52/52/1030125252.db2.gz JJXIRTWTCAFGQB-GFCCVEGCSA-N 1 1 317.339 3.748 20 30 DHEDMO CCOc1cc(C)ccc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866283142 1030202718 /nfs/dbraw/zinc/20/27/18/1030202718.db2.gz RBMOMUBNKARTGS-CQSZACIVSA-N 1 1 310.397 3.822 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000533234929 1030213897 /nfs/dbraw/zinc/21/38/97/1030213897.db2.gz SJWXWAFLQKRLGA-OWCLPIDISA-N 1 1 320.502 3.629 20 30 DHEDMO CC(F)(F)c1ccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)cc1 ZINC000823230820 1030235271 /nfs/dbraw/zinc/23/52/71/1030235271.db2.gz OUZDLONBUPNRJG-LBPRGKRZSA-N 1 1 306.316 3.542 20 30 DHEDMO COCC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(C)o1 ZINC000866337436 1030238117 /nfs/dbraw/zinc/23/81/17/1030238117.db2.gz RUSMIJJHJBIYJZ-BBRMVZONSA-N 1 1 314.385 3.594 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000533289046 1030249507 /nfs/dbraw/zinc/24/95/07/1030249507.db2.gz QCZXDHMDKNOION-CQSZACIVSA-N 1 1 319.405 3.600 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000533299942 1030260742 /nfs/dbraw/zinc/26/07/42/1030260742.db2.gz SNNWXVUAOKIROT-UONOGXRCSA-N 1 1 308.853 3.804 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](CC)C1CCC1 ZINC000533301125 1030261927 /nfs/dbraw/zinc/26/19/27/1030261927.db2.gz HBKOKXFOUUWNRY-UHFFFAOYSA-N 1 1 304.459 3.778 20 30 DHEDMO C[N@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)Cc1cccc(C#N)c1 ZINC000026325815 1030289770 /nfs/dbraw/zinc/28/97/70/1030289770.db2.gz HMGRKLHBETVCET-UHFFFAOYSA-N 1 1 322.452 3.776 20 30 DHEDMO C[N@@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)Cc1cccc(C#N)c1 ZINC000026325815 1030289790 /nfs/dbraw/zinc/28/97/90/1030289790.db2.gz HMGRKLHBETVCET-UHFFFAOYSA-N 1 1 322.452 3.776 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CC(C)(C)C ZINC000533416270 1030339278 /nfs/dbraw/zinc/33/92/78/1030339278.db2.gz RVTOVPCJVGPUBU-AWEZNQCLSA-N 1 1 308.491 3.629 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1cccc(Cl)c1 ZINC000823616605 1030341578 /nfs/dbraw/zinc/34/15/78/1030341578.db2.gz BBHCDXIIJPEFMK-ACJLOTCBSA-N 1 1 314.816 3.938 20 30 DHEDMO CCCCC[C@H](C)NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000823616907 1030341997 /nfs/dbraw/zinc/34/19/97/1030341997.db2.gz DKWQWQZIZOSICP-JKSUJKDBSA-N 1 1 315.461 3.636 20 30 DHEDMO CCCCC[C@H](C)NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000823616907 1030342014 /nfs/dbraw/zinc/34/20/14/1030342014.db2.gz DKWQWQZIZOSICP-JKSUJKDBSA-N 1 1 315.461 3.636 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000533437668 1030342313 /nfs/dbraw/zinc/34/23/13/1030342313.db2.gz QTWSREUJQJEJHJ-SFHVURJKSA-N 1 1 300.446 3.638 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1c(F)cccc1F ZINC000823617756 1030343914 /nfs/dbraw/zinc/34/39/14/1030343914.db2.gz MFJVEABHPLEVEH-YVEFUNNKSA-N 1 1 316.351 3.563 20 30 DHEDMO CC(C)C[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000130278874 1030395903 /nfs/dbraw/zinc/39/59/03/1030395903.db2.gz WFBFCBHMGCOXEK-OAHLLOKOSA-N 1 1 319.836 3.661 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000358279050 1030415871 /nfs/dbraw/zinc/41/58/71/1030415871.db2.gz OGJXWEVYECRRAS-HNNXBMFYSA-N 1 1 315.442 3.812 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000455374238 1030429213 /nfs/dbraw/zinc/42/92/13/1030429213.db2.gz BPAWQBYXOBKFIL-UHFFFAOYSA-N 1 1 315.461 3.801 20 30 DHEDMO COc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c(OC)c1 ZINC000358576279 1030545613 /nfs/dbraw/zinc/54/56/13/1030545613.db2.gz TXCCWZMWFVBJTA-LBPRGKRZSA-N 1 1 314.360 3.565 20 30 DHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(C(C)(C)C)cc1 ZINC001171070479 1030657607 /nfs/dbraw/zinc/65/76/07/1030657607.db2.gz DIRNSDQYSRNKTP-KRWDZBQOSA-N 1 1 318.461 3.623 20 30 DHEDMO COc1cccc2c1C[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC2 ZINC000824982713 1030694866 /nfs/dbraw/zinc/69/48/66/1030694866.db2.gz JSHBLPOUCPWOJL-OAHLLOKOSA-N 1 1 322.408 3.544 20 30 DHEDMO CC(C)[N@@H+](Cc1nn(C)c2ccccc12)Cc1ccc(C#N)cc1 ZINC000611254850 1030746223 /nfs/dbraw/zinc/74/62/23/1030746223.db2.gz JJRWBQVLEIQDKV-UHFFFAOYSA-N 1 1 318.424 3.856 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1ccc(C)s1 ZINC000359095496 1030774461 /nfs/dbraw/zinc/77/44/61/1030774461.db2.gz MOUHJEZPPBDPLG-HZPDHXFCSA-N 1 1 318.486 3.783 20 30 DHEDMO C=CCCCC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000359146999 1030800735 /nfs/dbraw/zinc/80/07/35/1030800735.db2.gz RTMWUNUOYHOMFF-IYBDPMFKSA-N 1 1 316.445 3.591 20 30 DHEDMO C=CCCCC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000359146999 1030800746 /nfs/dbraw/zinc/80/07/46/1030800746.db2.gz RTMWUNUOYHOMFF-IYBDPMFKSA-N 1 1 316.445 3.591 20 30 DHEDMO CC[C@H]([NH2+]Cc1ccc(C)nc1Cl)c1cccc(C#N)c1O ZINC000926852526 1030954649 /nfs/dbraw/zinc/95/46/49/1030954649.db2.gz YSBOHCOHPBHOMB-HNNXBMFYSA-N 1 1 315.804 3.862 20 30 DHEDMO C=CC[NH+]1CCN(Cc2ccc(C(F)(F)F)c(Cl)c2)CC1 ZINC001143807747 1030969923 /nfs/dbraw/zinc/96/99/23/1030969923.db2.gz KKMVMIWRKGWVHH-UHFFFAOYSA-N 1 1 318.770 3.662 20 30 DHEDMO C=CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000188780977 1030971367 /nfs/dbraw/zinc/97/13/67/1030971367.db2.gz RWTLWCOESNQXLQ-HKUYNNGSSA-N 1 1 314.473 3.583 20 30 DHEDMO CC[C@@H]([NH2+][C@@H]1CCCc2cccnc21)c1cccc(C#N)c1O ZINC000927062876 1031061704 /nfs/dbraw/zinc/06/17/04/1031061704.db2.gz PKQBWDXPSKZNRF-IAGOWNOFSA-N 1 1 307.397 3.777 20 30 DHEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCCSCC#N)[C@H]2C ZINC000359652844 1031079316 /nfs/dbraw/zinc/07/93/16/1031079316.db2.gz NOKQTPCTQWQQFG-KGLIPLIRSA-N 1 1 304.459 3.650 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1cccc(I)c1 ZINC001138226903 1031180016 /nfs/dbraw/zinc/18/00/16/1031180016.db2.gz XHVVBYIWLAZKNY-UHFFFAOYSA-N 1 1 315.198 3.689 20 30 DHEDMO Cc1nc(NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c(Cl)cc1C#N ZINC000359907692 1031190609 /nfs/dbraw/zinc/19/06/09/1031190609.db2.gz XAKSAYOYKDJGTQ-VXGBXAGGSA-N 1 1 306.841 3.590 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)cc1OC(F)(F)F ZINC001144055599 1031218780 /nfs/dbraw/zinc/21/87/80/1031218780.db2.gz HJGFKYBGEZWEHQ-UHFFFAOYSA-N 1 1 303.324 3.992 20 30 DHEDMO N#Cc1cncc(C[N@@H+](CCCCCCO)Cc2ccccc2)c1 ZINC001144084589 1031234901 /nfs/dbraw/zinc/23/49/01/1031234901.db2.gz HUQCFANOWVOPCV-UHFFFAOYSA-N 1 1 323.440 3.508 20 30 DHEDMO CC[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1cncc(C#N)c1 ZINC001144084828 1031238100 /nfs/dbraw/zinc/23/81/00/1031238100.db2.gz OTEYXHNFMKBYGY-UHFFFAOYSA-N 1 1 319.330 3.994 20 30 DHEDMO CCc1cc(C[N@H+]2CCc3cc(C#N)ccc3C2)cc(CC)c1O ZINC001144140305 1031273259 /nfs/dbraw/zinc/27/32/59/1031273259.db2.gz SLWVVBJLVGJSIX-UHFFFAOYSA-N 1 1 320.436 3.947 20 30 DHEDMO C#CC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)c1ccccc1 ZINC000273497239 1031280628 /nfs/dbraw/zinc/28/06/28/1031280628.db2.gz PKGANDRAACULLW-KDOFPFPSSA-N 1 1 323.392 3.594 20 30 DHEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)s1 ZINC001275691334 1031348249 /nfs/dbraw/zinc/34/82/49/1031348249.db2.gz QZAHMKJNBCXADS-MRXNPFEDSA-N 1 1 324.877 3.545 20 30 DHEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)s1 ZINC001275691334 1031348267 /nfs/dbraw/zinc/34/82/67/1031348267.db2.gz QZAHMKJNBCXADS-MRXNPFEDSA-N 1 1 324.877 3.545 20 30 DHEDMO COc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)ccc1Br ZINC001144232131 1031367155 /nfs/dbraw/zinc/36/71/55/1031367155.db2.gz JGVOKBXENDHZEK-GFCCVEGCSA-N 1 1 323.234 3.583 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)ccc1Br ZINC001144232131 1031367163 /nfs/dbraw/zinc/36/71/63/1031367163.db2.gz JGVOKBXENDHZEK-GFCCVEGCSA-N 1 1 323.234 3.583 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(C)c(C)c2)cc1 ZINC001171157480 1031444065 /nfs/dbraw/zinc/44/40/65/1031444065.db2.gz VJIDLFSGIODKGI-UHFFFAOYSA-N 1 1 320.436 3.745 20 30 DHEDMO Cc1nccc([C@H]2CCC[N@@H+](CCCCC3(C#N)CCC3)C2)n1 ZINC000929297631 1031487015 /nfs/dbraw/zinc/48/70/15/1031487015.db2.gz YABQFLHYNOIBBW-KRWDZBQOSA-N 1 1 312.461 3.829 20 30 DHEDMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000872095065 1031490447 /nfs/dbraw/zinc/49/04/47/1031490447.db2.gz KURIHGVPUJVKMM-ATZDWAIDSA-N 1 1 315.436 3.587 20 30 DHEDMO C=CCCC[NH2+][C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000537108893 1031510510 /nfs/dbraw/zinc/51/05/10/1031510510.db2.gz NQXFZPSUWAIKPT-MRXNPFEDSA-N 1 1 319.468 3.584 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)ccc1F ZINC000360677195 1031519528 /nfs/dbraw/zinc/51/95/28/1031519528.db2.gz WNHFEYZIPIWZRV-FQEVSTJZSA-N 1 1 322.383 3.719 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cccc(CSC)c2)no1 ZINC000872174609 1031550019 /nfs/dbraw/zinc/55/00/19/1031550019.db2.gz JPMUIVZOXZILLU-LBPRGKRZSA-N 1 1 309.822 3.742 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C(C)(C)c2cccc(F)c2)no1 ZINC000872181164 1031553177 /nfs/dbraw/zinc/55/31/77/1031553177.db2.gz YJVRUKRYSLGGMN-LBPRGKRZSA-N 1 1 309.772 3.677 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C(C)(C)Cc2ccccc2)no1 ZINC000872179966 1031553430 /nfs/dbraw/zinc/55/34/30/1031553430.db2.gz JAFJUCFRASNNLT-ZDUSSCGKSA-N 1 1 305.809 3.732 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2ccc(Cl)cc2C)no1 ZINC000872179358 1031554275 /nfs/dbraw/zinc/55/42/75/1031554275.db2.gz ADYLAOVTTCGFSI-LBPRGKRZSA-N 1 1 312.200 3.765 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872282718 1031576548 /nfs/dbraw/zinc/57/65/48/1031576548.db2.gz SHVSAUUUWXGELJ-MRXNPFEDSA-N 1 1 302.393 3.621 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872282718 1031576554 /nfs/dbraw/zinc/57/65/54/1031576554.db2.gz SHVSAUUUWXGELJ-MRXNPFEDSA-N 1 1 302.393 3.621 20 30 DHEDMO N#CC1(CCCCN2CCC[N@H+](C3CCCC3)CC2)CCC1 ZINC000929689413 1031578265 /nfs/dbraw/zinc/57/82/65/1031578265.db2.gz FNICIYCBMGEHRM-UHFFFAOYSA-N 1 1 303.494 3.801 20 30 DHEDMO N#Cc1cncc(C[NH+]2CCC(OCC3CCCCC3)CC2)c1 ZINC000929717252 1031587659 /nfs/dbraw/zinc/58/76/59/1031587659.db2.gz BEJNOFRRSXOMHQ-UHFFFAOYSA-N 1 1 313.445 3.515 20 30 DHEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1c(C)cc(C#N)cc1C ZINC000929835102 1031620232 /nfs/dbraw/zinc/62/02/32/1031620232.db2.gz POSMZYKFBGUCSN-LJQANCHMSA-N 1 1 308.429 3.554 20 30 DHEDMO CCCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000293865644 1031662053 /nfs/dbraw/zinc/66/20/53/1031662053.db2.gz YAKGROYVQVNMCH-NSHDSACASA-N 1 1 301.365 3.797 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@H+](Cc3ccc4occc4c3)CCO2)cc1 ZINC000897595589 1031676294 /nfs/dbraw/zinc/67/62/94/1031676294.db2.gz CQXOSGHDPBNXBB-HXUWFJFHSA-N 1 1 318.376 3.878 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@@H+](Cc3ccc4occc4c3)CCO2)cc1 ZINC000897595589 1031676299 /nfs/dbraw/zinc/67/62/99/1031676299.db2.gz CQXOSGHDPBNXBB-HXUWFJFHSA-N 1 1 318.376 3.878 20 30 DHEDMO C[C@@H](Cc1ccsc1)[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000897596006 1031678930 /nfs/dbraw/zinc/67/89/30/1031678930.db2.gz KZGVYSPTKHYOJT-KSSFIOAISA-N 1 1 312.438 3.624 20 30 DHEDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930077955 1031694469 /nfs/dbraw/zinc/69/44/69/1031694469.db2.gz WLLIQNQWRWYHTN-KRWDZBQOSA-N 1 1 320.477 3.906 20 30 DHEDMO C#Cc1ccc(C[N@@H+](CCCC(=O)OC)Cc2ccccc2)cc1 ZINC001144568395 1031722295 /nfs/dbraw/zinc/72/22/95/1031722295.db2.gz UBMQZTGWVVWCFH-UHFFFAOYSA-N 1 1 321.420 3.623 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(C(C)C)no3)C2)cc1 ZINC001144576615 1031725359 /nfs/dbraw/zinc/72/53/59/1031725359.db2.gz QBSUZFSGKVUNII-KRWDZBQOSA-N 1 1 309.413 3.554 20 30 DHEDMO Cn1cc(-c2cccc(C[N@@H+](C)Cc3ccc(C#N)cc3)c2)cn1 ZINC000361152663 1031758602 /nfs/dbraw/zinc/75/86/02/1031758602.db2.gz DCUGCCXGMRKDQL-UHFFFAOYSA-N 1 1 316.408 3.591 20 30 DHEDMO CC(C)CCOc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000897633049 1031758676 /nfs/dbraw/zinc/75/86/76/1031758676.db2.gz VQEFNHQESCSUPD-UHFFFAOYSA-N 1 1 315.442 3.729 20 30 DHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000026470143 1031768445 /nfs/dbraw/zinc/76/84/45/1031768445.db2.gz DWUWWTURGVNOJM-DOMZBBRYSA-N 1 1 319.836 3.661 20 30 DHEDMO C[N@@H+](C[C@H](O)CC#N)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000930311106 1031776961 /nfs/dbraw/zinc/77/69/61/1031776961.db2.gz ZGFKASVGBNAKBZ-SJORKVTESA-N 1 1 306.837 3.778 20 30 DHEDMO COc1cccc(C2=CC[N@H+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC000476326106 1031797782 /nfs/dbraw/zinc/79/77/82/1031797782.db2.gz WMMJLJJEDYKLSJ-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO COc1cccc(C2=CC[N@@H+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC000476326106 1031797796 /nfs/dbraw/zinc/79/77/96/1031797796.db2.gz WMMJLJJEDYKLSJ-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)CCc1ccccc1[N+](=O)[O-] ZINC000930442183 1031820345 /nfs/dbraw/zinc/82/03/45/1031820345.db2.gz VHCIHEMSEKREKN-UHFFFAOYSA-N 1 1 315.417 3.933 20 30 DHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC(C)(C)C[C@H]1C ZINC001171207847 1031823935 /nfs/dbraw/zinc/82/39/35/1031823935.db2.gz FSQOOJNUYSVRNJ-VXGBXAGGSA-N 1 1 319.836 3.659 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCCN(c3ccccc3F)CC2)CC1 ZINC000930468652 1031832588 /nfs/dbraw/zinc/83/25/88/1031832588.db2.gz BGPIZVNUJWSXLS-UHFFFAOYSA-N 1 1 315.436 3.668 20 30 DHEDMO Cc1noc([C@@H]2CCCC[N@@H+]2CCCCC2(C#N)CCC2)n1 ZINC000930475886 1031836299 /nfs/dbraw/zinc/83/62/99/1031836299.db2.gz IHTXHNWVMMRQJK-HNNXBMFYSA-N 1 1 302.422 3.769 20 30 DHEDMO Cc1noc([C@@H]2CCCC[N@H+]2CCCCC2(C#N)CCC2)n1 ZINC000930475886 1031836313 /nfs/dbraw/zinc/83/63/13/1031836313.db2.gz IHTXHNWVMMRQJK-HNNXBMFYSA-N 1 1 302.422 3.769 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)C[C@@](C)(O)c1ccccc1 ZINC000930765547 1031945011 /nfs/dbraw/zinc/94/50/11/1031945011.db2.gz ZPDPCXHQMYABHJ-GOSISDBHSA-N 1 1 300.446 3.690 20 30 DHEDMO CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC1CCC1 ZINC000361486606 1031951289 /nfs/dbraw/zinc/95/12/89/1031951289.db2.gz ROAMYRXOTFEUHD-UHFFFAOYSA-N 1 1 323.440 3.860 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001171220861 1031955129 /nfs/dbraw/zinc/95/51/29/1031955129.db2.gz FCISVNDWNSKGQW-UZLBHIALSA-N 1 1 306.409 3.643 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001171220858 1031956309 /nfs/dbraw/zinc/95/63/09/1031956309.db2.gz FCISVNDWNSKGQW-JXFKEZNVSA-N 1 1 306.409 3.643 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3cccnc3)C2)c1 ZINC000930807988 1031957165 /nfs/dbraw/zinc/95/71/65/1031957165.db2.gz BXZKHCKUSOHRRH-KRWDZBQOSA-N 1 1 311.816 3.986 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001171221282 1031958664 /nfs/dbraw/zinc/95/86/64/1031958664.db2.gz JZRPJJAQIZWPGO-MGPUTAFESA-N 1 1 324.399 3.782 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001171221122 1031959149 /nfs/dbraw/zinc/95/91/49/1031959149.db2.gz IJVCLQCAIPAPEE-APWZRJJASA-N 1 1 305.425 3.764 20 30 DHEDMO C=CCCCCCCCCC(=O)N1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001144797881 1031969114 /nfs/dbraw/zinc/96/91/14/1031969114.db2.gz SFQGADXPOKZPLH-MSOLQXFVSA-N 1 1 306.494 3.846 20 30 DHEDMO Cn1cc(C[NH+]2CCC(=Cc3ccccc3F)CC2)cc1C#N ZINC000361558251 1031986241 /nfs/dbraw/zinc/98/62/41/1031986241.db2.gz VWHNLLQPJWXSSV-UHFFFAOYSA-N 1 1 309.388 3.715 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001171231674 1032001691 /nfs/dbraw/zinc/00/16/91/1032001691.db2.gz KQDXQCSVIUWSPX-UZLBHIALSA-N 1 1 312.457 3.770 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC(=O)[C@@H](C)C12CCCC2 ZINC001171231713 1032002118 /nfs/dbraw/zinc/00/21/18/1032002118.db2.gz LIQMBHOONVILPR-HZPDHXFCSA-N 1 1 310.441 3.713 20 30 DHEDMO C[C@@]1(C[NH2+]C2CCC(C#N)CC2)CCN(Cc2ccccc2)C1 ZINC000877496367 1033326123 /nfs/dbraw/zinc/32/61/23/1033326123.db2.gz QHKMTTFNHPAOKT-UUKMXZOPSA-N 1 1 311.473 3.571 20 30 DHEDMO CC(C)[N@H+](CC(=O)c1ccccc1)Cc1ccc(OCC#N)cc1 ZINC001137121387 1033327202 /nfs/dbraw/zinc/32/72/02/1033327202.db2.gz IMLSRGUVXGSCEI-UHFFFAOYSA-N 1 1 322.408 3.682 20 30 DHEDMO CC(C)[N@@H+](CC(=O)c1ccccc1)Cc1ccc(OCC#N)cc1 ZINC001137121387 1033327212 /nfs/dbraw/zinc/32/72/12/1033327212.db2.gz IMLSRGUVXGSCEI-UHFFFAOYSA-N 1 1 322.408 3.682 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[N@@H+](C[C@@H](C)C#N)C3CC3)cc2)n1 ZINC000338360546 1033332412 /nfs/dbraw/zinc/33/24/12/1033332412.db2.gz PZZDKLJXPJNMJE-AWEZNQCLSA-N 1 1 308.429 3.613 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[N@H+](C[C@@H](C)C#N)C3CC3)cc2)n1 ZINC000338360546 1033332420 /nfs/dbraw/zinc/33/24/20/1033332420.db2.gz PZZDKLJXPJNMJE-AWEZNQCLSA-N 1 1 308.429 3.613 20 30 DHEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+](C2CCC3(CCCC3)CC2)C1 ZINC001172730405 1033333538 /nfs/dbraw/zinc/33/35/38/1033333538.db2.gz GOGZCYWDWIJYJJ-MRXNPFEDSA-N 1 1 320.477 3.866 20 30 DHEDMO Cc1cccc(C)c1NC(=O)CCC[N@@H+](CCC#N)CC1CC1 ZINC000137580770 1033335391 /nfs/dbraw/zinc/33/53/91/1033335391.db2.gz SAVKVUQAAJYPEF-UHFFFAOYSA-N 1 1 313.445 3.648 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC001172712906 1033350250 /nfs/dbraw/zinc/35/02/50/1033350250.db2.gz BVIVUWQUTLESHU-LJQANCHMSA-N 1 1 308.812 3.737 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000877609899 1033379962 /nfs/dbraw/zinc/37/99/62/1033379962.db2.gz FGXMOEQPUZOQLU-YOEHRIQHSA-N 1 1 306.837 3.563 20 30 DHEDMO CC[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1F ZINC000877616788 1033381445 /nfs/dbraw/zinc/38/14/45/1033381445.db2.gz HTUOGECUBYHULF-OAHLLOKOSA-N 1 1 303.768 3.987 20 30 DHEDMO CSCc1cnc(C[N@H+](C)CCc2cccc(C#N)c2)s1 ZINC000877705186 1033418564 /nfs/dbraw/zinc/41/85/64/1033418564.db2.gz VHHPQYPAEZYDGX-UHFFFAOYSA-N 1 1 317.483 3.552 20 30 DHEDMO CSCc1cnc(C[N@@H+](C)CCc2cccc(C#N)c2)s1 ZINC000877705186 1033418573 /nfs/dbraw/zinc/41/85/73/1033418573.db2.gz VHHPQYPAEZYDGX-UHFFFAOYSA-N 1 1 317.483 3.552 20 30 DHEDMO CCOCOc1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)cc1 ZINC000877704091 1033419458 /nfs/dbraw/zinc/41/94/58/1033419458.db2.gz HVBISGAQSJVQNO-UHFFFAOYSA-N 1 1 324.424 3.606 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1ccccc1C)c1ccccc1 ZINC000877899704 1033503859 /nfs/dbraw/zinc/50/38/59/1033503859.db2.gz DSTPRIYKBCHGPM-NRFANRHFSA-N 1 1 320.436 3.868 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@H]1CCC[C@H](C)C1)c1ccccc1 ZINC000877966954 1033534314 /nfs/dbraw/zinc/53/43/14/1033534314.db2.gz ZXSXDOWTTCONLM-FFZOFVMBSA-N 1 1 312.457 3.938 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H]1CC(C)C)c1ccccc1 ZINC000878020105 1033555846 /nfs/dbraw/zinc/55/58/46/1033555846.db2.gz KOMBEIWBIICDQY-VQTJNVASSA-N 1 1 312.457 3.938 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H]1C1CCC1)c1ccccc1 ZINC000878048230 1033567340 /nfs/dbraw/zinc/56/73/40/1033567340.db2.gz NUGDXTHTVFMVAD-UXHICEINSA-N 1 1 310.441 3.692 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@H](c2ccco2)C1)c1ccccc1 ZINC000878094757 1033578521 /nfs/dbraw/zinc/57/85/21/1033578521.db2.gz YDPLODZJHIPXAM-PXNSSMCTSA-N 1 1 322.408 3.510 20 30 DHEDMO CC[C@@H]1CCC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878113721 1033582138 /nfs/dbraw/zinc/58/21/38/1033582138.db2.gz MBSHFFGTWABQLM-QUCCMNQESA-N 1 1 312.457 3.939 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1C[C@@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000878128298 1033588721 /nfs/dbraw/zinc/58/87/21/1033588721.db2.gz BAXJSQCGPRQJKT-ABSDTBQOSA-N 1 1 312.457 3.938 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878152498 1033601080 /nfs/dbraw/zinc/60/10/80/1033601080.db2.gz IFDSPJYUZDZPCH-UHZRXMQZSA-N 1 1 310.441 3.716 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878152498 1033601085 /nfs/dbraw/zinc/60/10/85/1033601085.db2.gz IFDSPJYUZDZPCH-UHZRXMQZSA-N 1 1 310.441 3.716 20 30 DHEDMO CCC[C@H]1CCC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878186195 1033613596 /nfs/dbraw/zinc/61/35/96/1033613596.db2.gz HBBALHGZPCBTSL-AZUAARDMSA-N 1 1 312.457 3.939 20 30 DHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H]1CC[C@@H](CC)C1)CCO2 ZINC001173282437 1033674687 /nfs/dbraw/zinc/67/46/87/1033674687.db2.gz YNHVENMXTQUTLK-FCGDIQPGSA-N 1 1 307.478 3.639 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001173323208 1033685958 /nfs/dbraw/zinc/68/59/58/1033685958.db2.gz SRLPULSXKRSLFS-CTWPCTMYSA-N 1 1 301.430 3.574 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCOC[C@@H]2c2ccccc2)CC1 ZINC001173321815 1033686623 /nfs/dbraw/zinc/68/66/23/1033686623.db2.gz PYUKBEWXQUARMK-CTWPCTMYSA-N 1 1 301.430 3.574 20 30 DHEDMO N#CCC1CCC(N2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001173331425 1033689228 /nfs/dbraw/zinc/68/92/28/1033689228.db2.gz BHSOBLCYJKKLTO-UHFFFAOYSA-N 1 1 315.436 3.548 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H](C(C)(C)C)C1)c1ccccc1 ZINC000878404781 1033692290 /nfs/dbraw/zinc/69/22/90/1033692290.db2.gz JGPFBFRDMQOXCH-AZUAARDMSA-N 1 1 312.457 3.795 20 30 DHEDMO N#CCC1CCC([N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC001173341158 1033697693 /nfs/dbraw/zinc/69/76/93/1033697693.db2.gz QJMVQGVKTZTZIB-PVARCSIZSA-N 1 1 302.393 3.751 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N(C)[C@H](C)CC(C)C ZINC000553495762 1033710555 /nfs/dbraw/zinc/71/05/55/1033710555.db2.gz KXHRGEPMCSSURT-GOSISDBHSA-N 1 1 316.489 3.610 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N(C)[C@H](C)CC(C)C ZINC000553495762 1033710566 /nfs/dbraw/zinc/71/05/66/1033710566.db2.gz KXHRGEPMCSSURT-GOSISDBHSA-N 1 1 316.489 3.610 20 30 DHEDMO C[N@@H+](CCCCc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000127133774 1033720760 /nfs/dbraw/zinc/72/07/60/1033720760.db2.gz INRGFEJHIXVDQC-FQEVSTJZSA-N 1 1 308.425 3.546 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@@H]1CCC(C)(C)C1)c1ccccc1 ZINC000878542209 1033743564 /nfs/dbraw/zinc/74/35/64/1033743564.db2.gz LTVNKGNCMYGKIT-UYAOXDASSA-N 1 1 312.457 3.938 20 30 DHEDMO C=CC[N@H+](C)Cc1ccc(OC(=O)c2cccs2)c(OC)c1 ZINC001137258295 1033750074 /nfs/dbraw/zinc/75/00/74/1033750074.db2.gz HEIZVHIELDJPAT-UHFFFAOYSA-N 1 1 317.410 3.594 20 30 DHEDMO CCC(CC)[N@@H+](CC)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878623172 1033773331 /nfs/dbraw/zinc/77/33/31/1033773331.db2.gz GVGVGPWNTOKCCF-LJQANCHMSA-N 1 1 300.446 3.938 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC001173596345 1033780809 /nfs/dbraw/zinc/78/08/09/1033780809.db2.gz SPJFEZLUTSSBCN-NXYGQSRBSA-N 1 1 302.393 3.751 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001173596353 1033781498 /nfs/dbraw/zinc/78/14/98/1033781498.db2.gz SVNQTXCWYVDIQN-CSLYMUCUSA-N 1 1 320.383 3.890 20 30 DHEDMO COc1ccccc1O[C@@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596425 1033781788 /nfs/dbraw/zinc/78/17/88/1033781788.db2.gz WULMMJXLUBUDLP-KOHRHEQBSA-N 1 1 314.429 3.621 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)CC1 ZINC001173596376 1033782023 /nfs/dbraw/zinc/78/20/23/1033782023.db2.gz UDXXLYORISPNRT-VIQWUECVSA-N 1 1 303.494 3.799 20 30 DHEDMO CC1(C#N)CCC([N@@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001173596376 1033782035 /nfs/dbraw/zinc/78/20/35/1033782035.db2.gz UDXXLYORISPNRT-VIQWUECVSA-N 1 1 303.494 3.799 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001173596376 1033782052 /nfs/dbraw/zinc/78/20/52/1033782052.db2.gz UDXXLYORISPNRT-VIQWUECVSA-N 1 1 303.494 3.799 20 30 DHEDMO CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)C1CCC(C)(C#N)CC1 ZINC001173600932 1033788717 /nfs/dbraw/zinc/78/87/17/1033788717.db2.gz MLYBAZZYYPAOLA-UHFFFAOYSA-N 1 1 323.481 3.648 20 30 DHEDMO C#C[C@H]1CCC[N@H+](C2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001173682337 1033816686 /nfs/dbraw/zinc/81/66/86/1033816686.db2.gz WYEPAPYJPHUFLH-OAGGEKHMSA-N 1 1 320.477 3.508 20 30 DHEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000479628797 1033837539 /nfs/dbraw/zinc/83/75/39/1033837539.db2.gz YMYHVEXWADPBJR-FUHWJXTLSA-N 1 1 312.457 3.685 20 30 DHEDMO C#CC[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000862444225 1033855075 /nfs/dbraw/zinc/85/50/75/1033855075.db2.gz ZTQWPWJSFIVSJI-QGZVFWFLSA-N 1 1 306.409 3.506 20 30 DHEDMO C#CCCCCC[N@@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000878886718 1033856715 /nfs/dbraw/zinc/85/67/15/1033856715.db2.gz DIGFVLNDZYDHFP-UHFFFAOYSA-N 1 1 324.346 3.697 20 30 DHEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000862443497 1033857086 /nfs/dbraw/zinc/85/70/86/1033857086.db2.gz PWWLTCBDWGRWSS-QGZVFWFLSA-N 1 1 306.409 3.506 20 30 DHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878887507 1033857607 /nfs/dbraw/zinc/85/76/07/1033857607.db2.gz GEXVGOGQOCWKLG-RDJZCZTQSA-N 1 1 319.399 3.764 20 30 DHEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878887507 1033857618 /nfs/dbraw/zinc/85/76/18/1033857618.db2.gz GEXVGOGQOCWKLG-RDJZCZTQSA-N 1 1 319.399 3.764 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000862446534 1033859866 /nfs/dbraw/zinc/85/98/66/1033859866.db2.gz ACXAFXDPEQEDIO-QGZVFWFLSA-N 1 1 305.425 3.695 20 30 DHEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000879086889 1033917960 /nfs/dbraw/zinc/91/79/60/1033917960.db2.gz CLPAJGTVGCOLOK-SJLPKXTDSA-N 1 1 314.473 3.616 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNCc2ccc(C#N)o2)C1 ZINC000174272026 1033918051 /nfs/dbraw/zinc/91/80/51/1033918051.db2.gz YWWSMRMGUFCYPO-MRXNPFEDSA-N 1 1 323.440 3.673 20 30 DHEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1CCCCC(C)(C)C#N ZINC000879226515 1033956734 /nfs/dbraw/zinc/95/67/34/1033956734.db2.gz PVYDUWCPJAWZPS-HUUCEWRRSA-N 1 1 323.481 3.694 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879245176 1033962589 /nfs/dbraw/zinc/96/25/89/1033962589.db2.gz IWVGFGGPTPUCFL-UXHICEINSA-N 1 1 306.409 3.565 20 30 DHEDMO C[N@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1C#N ZINC000879308624 1033979809 /nfs/dbraw/zinc/97/98/09/1033979809.db2.gz FJOIJQSEHQQBEV-NILFDRSVSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1C#N ZINC000879308624 1033979814 /nfs/dbraw/zinc/97/98/14/1033979814.db2.gz FJOIJQSEHQQBEV-NILFDRSVSA-N 1 1 313.228 3.651 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879557298 1034046752 /nfs/dbraw/zinc/04/67/52/1034046752.db2.gz BRCLIWNPWWPXQY-HOTGVXAUSA-N 1 1 300.471 3.673 20 30 DHEDMO C[C@H](C[N@H+](CCCC(C)(C)C#N)[C@@H](C)CO)c1ccccc1 ZINC000554279146 1034078361 /nfs/dbraw/zinc/07/83/61/1034078361.db2.gz FWDOTKIQFNAZPI-SJORKVTESA-N 1 1 302.462 3.803 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879691666 1034088877 /nfs/dbraw/zinc/08/88/77/1034088877.db2.gz GLXNRMPGRFAQDA-KRWDZBQOSA-N 1 1 312.461 3.586 20 30 DHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc2cc[nH]c2c1 ZINC000879724365 1034098561 /nfs/dbraw/zinc/09/85/61/1034098561.db2.gz HSMUDRIPCFZTSL-UHFFFAOYSA-N 1 1 311.429 3.700 20 30 DHEDMO CC(C)[N@H+](C)Cc1ccccc1CNCc1ccc(C#N)s1 ZINC000176947325 1034122859 /nfs/dbraw/zinc/12/28/59/1034122859.db2.gz HOSLUBPSMHHDMH-UHFFFAOYSA-N 1 1 313.470 3.750 20 30 DHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc(C#N)s1 ZINC000176947325 1034122866 /nfs/dbraw/zinc/12/28/66/1034122866.db2.gz HOSLUBPSMHHDMH-UHFFFAOYSA-N 1 1 313.470 3.750 20 30 DHEDMO CC(C)CCOC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000177266519 1034145625 /nfs/dbraw/zinc/14/56/25/1034145625.db2.gz UJFFVFCJZAMDMC-UHFFFAOYSA-N 1 1 304.409 3.724 20 30 DHEDMO C[C@H](CCc1ccccc1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842147350 1034153059 /nfs/dbraw/zinc/15/30/59/1034153059.db2.gz BBWJTUOTAHFNHX-OXQOHEQNSA-N 1 1 308.425 3.545 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cccc4cnccc43)sc2C1 ZINC001174135331 1034162161 /nfs/dbraw/zinc/16/21/61/1034162161.db2.gz XOIGEMUAFANLAN-UHFFFAOYSA-N 1 1 320.421 3.899 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@H](C#N)CCC#N ZINC000554552322 1034202895 /nfs/dbraw/zinc/20/28/95/1034202895.db2.gz SFNOAPUNEWUIMI-ROUUACIJSA-N 1 1 324.472 3.594 20 30 DHEDMO COCC1([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CCC1 ZINC000880184697 1034234709 /nfs/dbraw/zinc/23/47/09/1034234709.db2.gz PSYRBBJLDXVFOG-UHFFFAOYSA-N 1 1 312.335 3.578 20 30 DHEDMO CC(C)[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(C#N)c1 ZINC001168362976 1034252000 /nfs/dbraw/zinc/25/20/00/1034252000.db2.gz OAODKYFIYATOGG-HXUWFJFHSA-N 1 1 311.473 3.719 20 30 DHEDMO CC(C)[C@@H](NC1CC[NH+](CC2CC2)CC1)c1cccc(C#N)c1 ZINC001168362976 1034252011 /nfs/dbraw/zinc/25/20/11/1034252011.db2.gz OAODKYFIYATOGG-HXUWFJFHSA-N 1 1 311.473 3.719 20 30 DHEDMO N#CCCCC[N@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880274641 1034271674 /nfs/dbraw/zinc/27/16/74/1034271674.db2.gz DWZXYHYEVFDOKK-QGZVFWFLSA-N 1 1 308.429 3.950 20 30 DHEDMO CC(C)([NH2+]Cc1ccc(C#N)o1)c1ccccc1Br ZINC000179329191 1034300864 /nfs/dbraw/zinc/30/08/64/1034300864.db2.gz UAVXKHKAOIYBQW-UHFFFAOYSA-N 1 1 319.202 3.939 20 30 DHEDMO N#Cc1nc(Cl)ccc1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174392882 1034315119 /nfs/dbraw/zinc/31/51/19/1034315119.db2.gz LQCJSZCSYLUFRT-UHFFFAOYSA-N 1 1 324.815 3.808 20 30 DHEDMO COc1cc(NC2=CCC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC001174394861 1034316844 /nfs/dbraw/zinc/31/68/44/1034316844.db2.gz OSHCDPKHOQXONO-UHFFFAOYSA-N 1 1 319.408 3.769 20 30 DHEDMO CNc1ccc(C#N)cc1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174395153 1034317795 /nfs/dbraw/zinc/31/77/95/1034317795.db2.gz SGUYTUOGJNSXCL-UHFFFAOYSA-N 1 1 318.424 3.802 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C)Cc2cccnc2)ccc1OC ZINC000182032938 1034351157 /nfs/dbraw/zinc/35/11/57/1034351157.db2.gz JWJLRAJGWSEHRF-UHFFFAOYSA-N 1 1 312.413 3.677 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182069424 1034351215 /nfs/dbraw/zinc/35/12/15/1034351215.db2.gz ASBKMNPVVKYVTP-GOSISDBHSA-N 1 1 318.436 3.670 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccnc2ccccc12 ZINC000554866615 1034380022 /nfs/dbraw/zinc/38/00/22/1034380022.db2.gz BFJPBKSPKQTRTD-UHFFFAOYSA-N 1 1 322.408 3.898 20 30 DHEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(C#N)cc1Br ZINC000481116943 1034591152 /nfs/dbraw/zinc/59/11/52/1034591152.db2.gz MXJKVPDELXQQCW-SMDDNHRTSA-N 1 1 307.235 3.941 20 30 DHEDMO CC[C@H]([NH2+]Cc1cc(C#N)ccc1N(C)C)c1nc(C)cs1 ZINC000865452004 1034654347 /nfs/dbraw/zinc/65/43/47/1034654347.db2.gz AFVSWLKPYYXAMP-HNNXBMFYSA-N 1 1 314.458 3.630 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C1 ZINC001174891727 1034664907 /nfs/dbraw/zinc/66/49/07/1034664907.db2.gz VNXOLBZGGDKXRP-YOEHRIQHSA-N 1 1 320.502 3.850 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cccc4ncccc43)sc2C1 ZINC001174904258 1034671678 /nfs/dbraw/zinc/67/16/78/1034671678.db2.gz VJHZSXNESITBAS-UHFFFAOYSA-N 1 1 320.421 3.899 20 30 DHEDMO C=C(C)C[N@H+](C)CC1(COc2cccc(COC)c2)CCC1 ZINC000481280632 1034711856 /nfs/dbraw/zinc/71/18/56/1034711856.db2.gz FSZYIVFZMTYWRM-UHFFFAOYSA-N 1 1 303.446 3.890 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000188469496 1034744835 /nfs/dbraw/zinc/74/48/35/1034744835.db2.gz LKXZJBBNXXJPDV-ICSRJNTNSA-N 1 1 314.473 3.569 20 30 DHEDMO C[C@H]1CC(=NOCCC(F)(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000777458729 1034752043 /nfs/dbraw/zinc/75/20/43/1034752043.db2.gz BIFXVOTWANBBNI-ZDUSSCGKSA-N 1 1 314.351 3.853 20 30 DHEDMO C[C@H]1CC(=NOCCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000777459371 1034753293 /nfs/dbraw/zinc/75/32/93/1034753293.db2.gz INCYHSUZBVIVNX-ZDUSSCGKSA-N 1 1 314.351 3.996 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191273381 1034758982 /nfs/dbraw/zinc/75/89/82/1034758982.db2.gz RLYJMCZNECLGDO-HNNXBMFYSA-N 1 1 318.509 3.638 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCOc4cc(F)ccc4C3)cc2)CC1 ZINC000600214718 1034817593 /nfs/dbraw/zinc/81/75/93/1034817593.db2.gz ZFEVDJKTBQTSGA-UHFFFAOYSA-N 1 1 322.383 3.775 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCOc4cc(F)ccc4C3)cc2)CC1 ZINC000600214718 1034817601 /nfs/dbraw/zinc/81/76/01/1034817601.db2.gz ZFEVDJKTBQTSGA-UHFFFAOYSA-N 1 1 322.383 3.775 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc4ncccc4c3)sc2C1 ZINC001175373713 1034957559 /nfs/dbraw/zinc/95/75/59/1034957559.db2.gz FPIVWJIZFHWUNT-UHFFFAOYSA-N 1 1 320.421 3.899 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2Cc3ccccc3C3(CC3)C2)c1 ZINC000481742364 1034960074 /nfs/dbraw/zinc/96/00/74/1034960074.db2.gz YGAYTJBPNBFACO-UHFFFAOYSA-N 1 1 318.420 3.875 20 30 DHEDMO N#Cc1cccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c1F ZINC001175505511 1035016313 /nfs/dbraw/zinc/01/63/13/1035016313.db2.gz GGBSRUCQJAHFDZ-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO COc1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc1C#N ZINC001175505824 1035017879 /nfs/dbraw/zinc/01/78/79/1035017879.db2.gz ISSMSHMEUXEJHJ-UHFFFAOYSA-N 1 1 319.408 3.769 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001175578033 1035049650 /nfs/dbraw/zinc/04/96/50/1035049650.db2.gz LZNJQMVXOWZIMG-HOTGVXAUSA-N 1 1 308.466 3.674 20 30 DHEDMO C=CC(C)(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000448706644 1035066813 /nfs/dbraw/zinc/06/68/13/1035066813.db2.gz ZXNITBKHDUVGSH-INIZCTEOSA-N 1 1 314.473 3.889 20 30 DHEDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cn3ccccc3c2C#N)n1 ZINC000159744740 1035085316 /nfs/dbraw/zinc/08/53/16/1035085316.db2.gz VHHRTWCWUIJCTJ-FQEVSTJZSA-N 1 1 316.408 3.852 20 30 DHEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cn3ccccc3c2C#N)n1 ZINC000159744740 1035085323 /nfs/dbraw/zinc/08/53/23/1035085323.db2.gz VHHRTWCWUIJCTJ-FQEVSTJZSA-N 1 1 316.408 3.852 20 30 DHEDMO CC[N@H+](Cc1cc(C#N)ccc1Br)CC1CCC1 ZINC000483135557 1035229761 /nfs/dbraw/zinc/22/97/61/1035229761.db2.gz PKQFQZXDBOQURE-UHFFFAOYSA-N 1 1 307.235 3.943 20 30 DHEDMO CC1=C(C)C[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000483386496 1035264785 /nfs/dbraw/zinc/26/47/85/1035264785.db2.gz RMXOTYWMCCOGQC-ZDUSSCGKSA-N 1 1 317.820 3.581 20 30 DHEDMO CC1=C(C)C[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000483386496 1035264790 /nfs/dbraw/zinc/26/47/90/1035264790.db2.gz RMXOTYWMCCOGQC-ZDUSSCGKSA-N 1 1 317.820 3.581 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCSCC[C@H]2C)ccc1OC ZINC000483419304 1035267069 /nfs/dbraw/zinc/26/70/69/1035267069.db2.gz HXEKNPMTJHDTGI-OAHLLOKOSA-N 1 1 321.486 3.978 20 30 DHEDMO C#CC[N@@H+](C[C@@H]1CC[C@@H](C2CC2)O1)[C@H]1CCCc2ccccc21 ZINC001176452370 1035271210 /nfs/dbraw/zinc/27/12/10/1035271210.db2.gz KDVNRQAOVZLFMF-JBACZVJFSA-N 1 1 309.453 3.957 20 30 DHEDMO COc1c(C)cc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)cc1C ZINC000483593925 1035281239 /nfs/dbraw/zinc/28/12/39/1035281239.db2.gz DDFQCEBTRAOVLG-UHFFFAOYSA-N 1 1 312.388 3.955 20 30 DHEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000483620261 1035283619 /nfs/dbraw/zinc/28/36/19/1035283619.db2.gz QVIVLFNOJFEEBG-MRXNPFEDSA-N 1 1 324.424 3.596 20 30 DHEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2CC#Cc2ccccc2)c1 ZINC000483962785 1035310521 /nfs/dbraw/zinc/31/05/21/1035310521.db2.gz PIKRFTKKPSJWDA-OAQYLSRUSA-N 1 1 304.437 3.941 20 30 DHEDMO CC[C@@](C)(O)C[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000483978074 1035311618 /nfs/dbraw/zinc/31/16/18/1035311618.db2.gz ALEHEYOSAFWGOI-OAQYLSRUSA-N 1 1 307.437 3.701 20 30 DHEDMO O=[N+]([O-])c1ccc(C[N@H+](CC#Cc2ccccc2)C2CC2)cc1 ZINC000484075179 1035317164 /nfs/dbraw/zinc/31/71/64/1035317164.db2.gz YTIAACQENRIJGZ-UHFFFAOYSA-N 1 1 306.365 3.611 20 30 DHEDMO O=[N+]([O-])c1ccc(C[N@@H+](CC#Cc2ccccc2)C2CC2)cc1 ZINC000484075179 1035317171 /nfs/dbraw/zinc/31/71/71/1035317171.db2.gz YTIAACQENRIJGZ-UHFFFAOYSA-N 1 1 306.365 3.611 20 30 DHEDMO N#Cc1c(N)sc2c1CC[N@H+](CC1CCC3(CC3)CC1)C2 ZINC001176771587 1035330430 /nfs/dbraw/zinc/33/04/30/1035330430.db2.gz NAFIBVYIMJLSFX-UHFFFAOYSA-N 1 1 301.459 3.530 20 30 DHEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(C)ccc1Cl ZINC001176771942 1035330783 /nfs/dbraw/zinc/33/07/83/1035330783.db2.gz YRNAEMYYFJJAKA-HZPDHXFCSA-N 1 1 323.864 3.819 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001176927312 1035336717 /nfs/dbraw/zinc/33/67/17/1035336717.db2.gz QTWFWACLTUCANY-DLBZAZTESA-N 1 1 304.821 3.745 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001176927312 1035336718 /nfs/dbraw/zinc/33/67/18/1035336718.db2.gz QTWFWACLTUCANY-DLBZAZTESA-N 1 1 304.821 3.745 20 30 DHEDMO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c1 ZINC001203353418 1035357575 /nfs/dbraw/zinc/35/75/75/1035357575.db2.gz DCTXGGMUDMAPBD-SFHVURJKSA-N 1 1 310.372 3.741 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1ccc(F)cc1F)CC1CCCCC1 ZINC000484567115 1035362711 /nfs/dbraw/zinc/36/27/11/1035362711.db2.gz GWKJHSUHMDZCKS-UHFFFAOYSA-N 1 1 322.399 3.972 20 30 DHEDMO C=CCOc1cccc(CNC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001178248965 1035416165 /nfs/dbraw/zinc/41/61/65/1035416165.db2.gz HULCOZPEPJPDAE-IBGZPJMESA-N 1 1 316.489 3.709 20 30 DHEDMO C=CCOc1cccc(CNC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001178248965 1035416168 /nfs/dbraw/zinc/41/61/68/1035416168.db2.gz HULCOZPEPJPDAE-IBGZPJMESA-N 1 1 316.489 3.709 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2c(F)cccc2Cl)no1 ZINC000904513281 1035420905 /nfs/dbraw/zinc/42/09/05/1035420905.db2.gz ABDGFXYNLJYTGW-ZDUSSCGKSA-N 1 1 309.772 3.809 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cnc3ccsc3c2)no1 ZINC000904611899 1035436157 /nfs/dbraw/zinc/43/61/57/1035436157.db2.gz FZXTUSVRCAYWFP-NSHDSACASA-N 1 1 300.387 3.702 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc([C@H](C)c2c(F)cccc2F)no1 ZINC000904614243 1035436278 /nfs/dbraw/zinc/43/62/78/1035436278.db2.gz OSHXZKGDJHWCOX-MFKMUULPSA-N 1 1 307.344 3.856 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(C2(c3ccccc3OC)CC2)no1 ZINC000904722606 1035444230 /nfs/dbraw/zinc/44/42/30/1035444230.db2.gz BEPWXCLLGSIYQN-CQSZACIVSA-N 1 1 313.401 3.514 20 30 DHEDMO CCCCCCCC[C@H]([NH3+])c1nc([C@H]2CCOC[C@H]2C)no1 ZINC000904713770 1035447108 /nfs/dbraw/zinc/44/71/08/1035447108.db2.gz XTQRMCYBKGNOKZ-ILXRZTDVSA-N 1 1 309.454 3.960 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)Cc1cccs1)CC1CCCCC1 ZINC000484994479 1035450614 /nfs/dbraw/zinc/45/06/14/1035450614.db2.gz JMKMEDSLKYVMCF-UHFFFAOYSA-N 1 1 320.502 3.775 20 30 DHEDMO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccc(C2CC2)cc1F ZINC001178851395 1035451456 /nfs/dbraw/zinc/45/14/56/1035451456.db2.gz KPXWYSQTGGYZPP-UHFFFAOYSA-N 1 1 323.415 3.931 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](CC)CCCC ZINC000485007790 1035452013 /nfs/dbraw/zinc/45/20/13/1035452013.db2.gz ZMXZJHDCDBUHBZ-OAHLLOKOSA-N 1 1 308.491 3.773 20 30 DHEDMO C=CCOc1cccc(C[NH2+]Cc2ccc(C)nc2Cl)c1 ZINC001179457641 1035478914 /nfs/dbraw/zinc/47/89/14/1035478914.db2.gz IMTIOEOSVVVQSG-UHFFFAOYSA-N 1 1 302.805 3.898 20 30 DHEDMO CCCCCCC[C@H](C)NC(=O)N1CC[C@@H]([N@@H+](C)C2CC2)C1 ZINC001192938457 1035520973 /nfs/dbraw/zinc/52/09/73/1035520973.db2.gz QTELHVSPTYDUQF-DOTOQJQBSA-N 1 1 309.498 3.614 20 30 DHEDMO C=CC[N@H+](Cc1cc2c(cc[nH]c2=O)o1)Cc1ccc(OC)cc1 ZINC001179966820 1035562717 /nfs/dbraw/zinc/56/27/17/1035562717.db2.gz URISQWXEIGVAOZ-UHFFFAOYSA-N 1 1 324.380 3.730 20 30 DHEDMO C=CC[N@@H+](Cc1cc2c(cc[nH]c2=O)o1)Cc1ccc(OC)cc1 ZINC001179966820 1035562722 /nfs/dbraw/zinc/56/27/22/1035562722.db2.gz URISQWXEIGVAOZ-UHFFFAOYSA-N 1 1 324.380 3.730 20 30 DHEDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000775571188 1035567475 /nfs/dbraw/zinc/56/74/75/1035567475.db2.gz CCRHDHJVYKBZEV-KRWDZBQOSA-N 1 1 322.456 3.601 20 30 DHEDMO C#CC[N@H+](Cc1cc(F)c(N(C)C)cc1F)C1CCCCC1 ZINC001180031279 1035567992 /nfs/dbraw/zinc/56/79/92/1035567992.db2.gz XLHAIDRQAKYCEE-UHFFFAOYSA-N 1 1 306.400 3.799 20 30 DHEDMO C#Cc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC001180178363 1035607711 /nfs/dbraw/zinc/60/77/11/1035607711.db2.gz VQNPWJODVUVITF-UHFFFAOYSA-N 1 1 308.381 3.987 20 30 DHEDMO C#CC[N@@H+](Cc1ccnn1CC(C)C)[C@@H]1CCc2ccccc21 ZINC001180297511 1035649173 /nfs/dbraw/zinc/64/91/73/1035649173.db2.gz ZRNUMTVYCFEXRE-HXUWFJFHSA-N 1 1 307.441 3.662 20 30 DHEDMO C#CC[N@H+](Cc1ccnn1CC(C)C)[C@@H]1CCc2ccccc21 ZINC001180297511 1035649181 /nfs/dbraw/zinc/64/91/81/1035649181.db2.gz ZRNUMTVYCFEXRE-HXUWFJFHSA-N 1 1 307.441 3.662 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191244775 1035672564 /nfs/dbraw/zinc/67/25/64/1035672564.db2.gz XDTHGDKNMQCWSZ-HNNXBMFYSA-N 1 1 301.352 3.768 20 30 DHEDMO CC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)[C@@H]1C ZINC001193607061 1035675463 /nfs/dbraw/zinc/67/54/63/1035675463.db2.gz SIQPZVINGCTIDM-VXGBXAGGSA-N 1 1 307.235 3.941 20 30 DHEDMO CC[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)[C@@H]1C ZINC001193607061 1035675470 /nfs/dbraw/zinc/67/54/70/1035675470.db2.gz SIQPZVINGCTIDM-VXGBXAGGSA-N 1 1 307.235 3.941 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)ccc1C#N ZINC000442882817 1035694069 /nfs/dbraw/zinc/69/40/69/1035694069.db2.gz FZZFXCMPUQVBIH-QGZVFWFLSA-N 1 1 310.372 3.695 20 30 DHEDMO COc1cc(C[N@H+](C)CC#Cc2ccccc2)ccc1SC ZINC000191973217 1035745769 /nfs/dbraw/zinc/74/57/69/1035745769.db2.gz HMNQORTVJGSMJU-UHFFFAOYSA-N 1 1 311.450 3.901 20 30 DHEDMO COc1cc(C[N@@H+](C)CC#Cc2ccccc2)ccc1SC ZINC000191973217 1035745782 /nfs/dbraw/zinc/74/57/82/1035745782.db2.gz HMNQORTVJGSMJU-UHFFFAOYSA-N 1 1 311.450 3.901 20 30 DHEDMO C=CC[N@H+](C)C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000494637731 1035754201 /nfs/dbraw/zinc/75/42/01/1035754201.db2.gz MWUTUCGLMZYANF-AWEZNQCLSA-N 1 1 311.853 3.629 20 30 DHEDMO N#CCCCO[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001205648938 1035755023 /nfs/dbraw/zinc/75/50/23/1035755023.db2.gz QEOVBPBZGLIJHB-CYBMUJFWSA-N 1 1 313.228 3.888 20 30 DHEDMO N#CCCCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001205648938 1035755006 /nfs/dbraw/zinc/75/50/06/1035755006.db2.gz QEOVBPBZGLIJHB-CYBMUJFWSA-N 1 1 313.228 3.888 20 30 DHEDMO C=CCOCC[N@@H+]1Cc2cccc(Br)c2C[C@H]1CC ZINC001193873511 1035762505 /nfs/dbraw/zinc/76/25/05/1035762505.db2.gz WOYXWBOPNBTCTR-CQSZACIVSA-N 1 1 324.262 3.788 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001194052332 1035814764 /nfs/dbraw/zinc/81/47/64/1035814764.db2.gz UCSOBEXLSDTYBM-UHFFFAOYSA-N 1 1 309.413 3.638 20 30 DHEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001194165741 1035856531 /nfs/dbraw/zinc/85/65/31/1035856531.db2.gz VAHNVNHTCSCWCA-IAGOWNOFSA-N 1 1 308.466 3.676 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCOC[C@H]2CC(C)C)cc1OC ZINC000539833913 1035894553 /nfs/dbraw/zinc/89/45/53/1035894553.db2.gz UKRBBZJDSBFJSA-QGZVFWFLSA-N 1 1 319.445 3.507 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCOC[C@H]2CC(C)C)cc1OC ZINC000539833913 1035894576 /nfs/dbraw/zinc/89/45/76/1035894576.db2.gz UKRBBZJDSBFJSA-QGZVFWFLSA-N 1 1 319.445 3.507 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001194392793 1035920933 /nfs/dbraw/zinc/92/09/33/1035920933.db2.gz CNEWDZBYPPJZRL-IRXDYDNUSA-N 1 1 322.493 3.922 20 30 DHEDMO C=CCC[C@H]([NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1)C(=O)OCC ZINC001181826725 1036008909 /nfs/dbraw/zinc/00/89/09/1036008909.db2.gz GRHDCJQLVMFQGB-DAYGRLMNSA-N 1 1 319.445 3.675 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000540215086 1036011948 /nfs/dbraw/zinc/01/19/48/1036011948.db2.gz NPNWZKZTSDZMLJ-MRXNPFEDSA-N 1 1 312.413 3.593 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@@H]1CC2CCC1CC2 ZINC001194790960 1036019673 /nfs/dbraw/zinc/01/96/73/1036019673.db2.gz ARGNRZKUQBTWMU-GQOXECLESA-N 1 1 312.457 3.833 20 30 DHEDMO C=CCCC[C@@H](C)[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000540297929 1036031683 /nfs/dbraw/zinc/03/16/83/1036031683.db2.gz SVBCVYKANLPKOQ-PBHICJAKSA-N 1 1 304.409 3.608 20 30 DHEDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC001194907987 1036070075 /nfs/dbraw/zinc/07/00/75/1036070075.db2.gz ZVXQQEMXJCMQEL-GOSISDBHSA-N 1 1 320.477 3.904 20 30 DHEDMO C=CCC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000494829959 1036073528 /nfs/dbraw/zinc/07/35/28/1036073528.db2.gz RIGIZZZWDSUHPY-HKUYNNGSSA-N 1 1 314.473 3.585 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](CCCc3ccccc3)CCO2)c1 ZINC000761757862 1036089928 /nfs/dbraw/zinc/08/99/28/1036089928.db2.gz OIYLNWDRYZIMRI-HXUWFJFHSA-N 1 1 306.409 3.564 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](CCCc3ccccc3)CCO2)c1 ZINC000761757862 1036089948 /nfs/dbraw/zinc/08/99/48/1036089948.db2.gz OIYLNWDRYZIMRI-HXUWFJFHSA-N 1 1 306.409 3.564 20 30 DHEDMO C[C@H](C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000761757760 1036091028 /nfs/dbraw/zinc/09/10/28/1036091028.db2.gz NSKIBAIJWJQYNR-UZLBHIALSA-N 1 1 306.409 3.735 20 30 DHEDMO Cc1ccccc1CCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761767438 1036113927 /nfs/dbraw/zinc/11/39/27/1036113927.db2.gz YNEJAKBOPUFALV-NRFANRHFSA-N 1 1 320.436 3.873 20 30 DHEDMO Cc1ccccc1CCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761767438 1036113945 /nfs/dbraw/zinc/11/39/45/1036113945.db2.gz YNEJAKBOPUFALV-NRFANRHFSA-N 1 1 320.436 3.873 20 30 DHEDMO CC(C)CCOC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000193107930 1036151970 /nfs/dbraw/zinc/15/19/70/1036151970.db2.gz RKFUBFOVIOJCEC-UHFFFAOYSA-N 1 1 304.409 3.724 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595503447 1036205892 /nfs/dbraw/zinc/20/58/92/1036205892.db2.gz VSQRUIBBTOZTAN-HNNXBMFYSA-N 1 1 311.816 3.986 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595503447 1036205905 /nfs/dbraw/zinc/20/59/05/1036205905.db2.gz VSQRUIBBTOZTAN-HNNXBMFYSA-N 1 1 311.816 3.986 20 30 DHEDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC001195426372 1036254675 /nfs/dbraw/zinc/25/46/75/1036254675.db2.gz NYRBRCPERVQWIA-GUDVDZBRSA-N 1 1 312.457 3.740 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000541239514 1036269289 /nfs/dbraw/zinc/26/92/89/1036269289.db2.gz JJWRHXXJHPLSJY-FUHWJXTLSA-N 1 1 317.477 3.551 20 30 DHEDMO C=CC[C@@H](CO)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774269794 1036270215 /nfs/dbraw/zinc/27/02/15/1036270215.db2.gz CLEYCXCFYBPCLD-NXEZZACHSA-N 1 1 304.217 3.534 20 30 DHEDMO CCCCCCCC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000914735359 1036286190 /nfs/dbraw/zinc/28/61/90/1036286190.db2.gz LCFLZJOKPKYPMZ-HNNXBMFYSA-N 1 1 322.518 3.971 20 30 DHEDMO CCCCCCCC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000914735359 1036286207 /nfs/dbraw/zinc/28/62/07/1036286207.db2.gz LCFLZJOKPKYPMZ-HNNXBMFYSA-N 1 1 322.518 3.971 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1nc2cc(F)ccc2o1 ZINC000491317478 1036320118 /nfs/dbraw/zinc/32/01/18/1036320118.db2.gz TXYCRSAKXBYGIF-UHFFFAOYSA-N 1 1 300.333 3.791 20 30 DHEDMO COc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)c(O)c(C(C)(C)C)c1 ZINC000784015150 1036348054 /nfs/dbraw/zinc/34/80/54/1036348054.db2.gz VIVPTQWFQLADPN-LJQANCHMSA-N 1 1 316.445 3.824 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)c(O)c(C(C)(C)C)c1 ZINC000784015150 1036348070 /nfs/dbraw/zinc/34/80/70/1036348070.db2.gz VIVPTQWFQLADPN-LJQANCHMSA-N 1 1 316.445 3.824 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C#N)c(C)c1 ZINC000486713895 1036368114 /nfs/dbraw/zinc/36/81/14/1036368114.db2.gz XERSWOVAOFPTSZ-UHFFFAOYSA-N 1 1 301.393 3.927 20 30 DHEDMO C=CCCCCC[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000486789670 1036408894 /nfs/dbraw/zinc/40/88/94/1036408894.db2.gz UIXZZZGOIOAJPH-UHFFFAOYSA-N 1 1 306.494 3.847 20 30 DHEDMO CSC[C@@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000486797125 1036411303 /nfs/dbraw/zinc/41/13/03/1036411303.db2.gz DEZPXTSCRXJUFO-HNNXBMFYSA-N 1 1 313.388 3.884 20 30 DHEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000541763512 1036420138 /nfs/dbraw/zinc/42/01/38/1036420138.db2.gz OPSLPCNZZFYRQE-AWEZNQCLSA-N 1 1 324.384 3.612 20 30 DHEDMO C=C(C)COc1cccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000495278125 1036435279 /nfs/dbraw/zinc/43/52/79/1036435279.db2.gz NGVHBHHDTIIKNI-KRWDZBQOSA-N 1 1 316.445 3.845 20 30 DHEDMO CC#CCCCCCCCC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001182770751 1036453942 /nfs/dbraw/zinc/45/39/42/1036453942.db2.gz XXWQHWNSQYWDEB-GOSISDBHSA-N 1 1 306.494 3.589 20 30 DHEDMO CC#CCCCCCCCC(=O)N1C[C@@H]2C[N@@H+](CCC)C[C@@H]2C1 ZINC001182769481 1036454749 /nfs/dbraw/zinc/45/47/49/1036454749.db2.gz HTQKCJDKDJAVRC-KDURUIRLSA-N 1 1 318.505 3.541 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1c(C)cc(OC)nc1C ZINC000541926971 1036463484 /nfs/dbraw/zinc/46/34/84/1036463484.db2.gz QNOUZXQRNLMSGQ-UHFFFAOYSA-N 1 1 323.440 3.991 20 30 DHEDMO COc1cccc([C@@]2(C)CC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC001182902600 1036480592 /nfs/dbraw/zinc/48/05/92/1036480592.db2.gz OBWZOJVZAKTARL-NRFANRHFSA-N 1 1 305.421 3.710 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](Cc1ccc3scnc3c1)C2 ZINC001183179430 1036534273 /nfs/dbraw/zinc/53/42/73/1036534273.db2.gz DMRCQEQDJVTDDX-UHFFFAOYSA-N 1 1 319.433 3.921 20 30 DHEDMO Cc1nc2ccccc2nc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271783280 1036539255 /nfs/dbraw/zinc/53/92/55/1036539255.db2.gz LXCNIRSQYBJONZ-UHFFFAOYSA-N 1 1 314.392 3.589 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC001196506793 1036551697 /nfs/dbraw/zinc/55/16/97/1036551697.db2.gz UAOVANXHWKXMHN-UZLBHIALSA-N 1 1 305.425 3.830 20 30 DHEDMO Cc1cc(Br)cc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1O ZINC000775732856 1036585149 /nfs/dbraw/zinc/58/51/49/1036585149.db2.gz REQXCUFRNXPCPW-SNVBAGLBSA-N 1 1 323.234 3.587 20 30 DHEDMO Cc1cc(Br)cc(C[N@H+](C[C@H](C)C#N)C2CC2)c1O ZINC000775732856 1036585166 /nfs/dbraw/zinc/58/51/66/1036585166.db2.gz REQXCUFRNXPCPW-SNVBAGLBSA-N 1 1 323.234 3.587 20 30 DHEDMO Cc1cccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1O ZINC000775735822 1036589282 /nfs/dbraw/zinc/58/92/82/1036589282.db2.gz ZCIXVEUWWFQYOT-RBUKOAKNSA-N 1 1 306.409 3.972 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](C)C[C@H]1CCCCN1Cc1ccccc1 ZINC001183463474 1036599016 /nfs/dbraw/zinc/59/90/16/1036599016.db2.gz HINKRUYIPSTOLN-AZUAARDMSA-N 1 1 313.489 3.913 20 30 DHEDMO C#CCOCC[N@@H+]1CCC[C@@]1(C)Cc1ccc(Cl)c(F)c1 ZINC001197005065 1036665880 /nfs/dbraw/zinc/66/58/80/1036665880.db2.gz XTJCSKLARUUSHY-KRWDZBQOSA-N 1 1 309.812 3.526 20 30 DHEDMO C[N@H+]1CCCC[C@H]1CCC(=O)OCCCCC1(C#N)CCC1 ZINC000909306019 1036670538 /nfs/dbraw/zinc/67/05/38/1036670538.db2.gz MBHDWNRVZJKNPN-INIZCTEOSA-N 1 1 306.450 3.658 20 30 DHEDMO COC[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(C)o1 ZINC000271918028 1036676942 /nfs/dbraw/zinc/67/69/42/1036676942.db2.gz CYNDXPRLGAMMQO-LRDDRELGSA-N 1 1 302.349 3.637 20 30 DHEDMO CC(C)(C)[C@@H]1CSCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001197294710 1036742300 /nfs/dbraw/zinc/74/23/00/1036742300.db2.gz BWBOJDJGRQHMRU-KRWDZBQOSA-N 1 1 318.486 3.791 20 30 DHEDMO CCc1ccc2c(c1)CC[N@H+](Cc1cc(C#N)ccc1N(C)C)C2 ZINC001184386274 1036824687 /nfs/dbraw/zinc/82/46/87/1036824687.db2.gz AOPKSDXXHRRFTF-UHFFFAOYSA-N 1 1 319.452 3.745 20 30 DHEDMO Cc1cc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)ccc1C#N ZINC000488113422 1036862118 /nfs/dbraw/zinc/86/21/18/1036862118.db2.gz JNUHPWQGZXHOQB-OAQYLSRUSA-N 1 1 320.436 3.640 20 30 DHEDMO CCC[N@H+](Cc1cc(C#N)ccc1Br)CC1CC1 ZINC000492418620 1036862239 /nfs/dbraw/zinc/86/22/39/1036862239.db2.gz RYLCQKUIFCOMHT-UHFFFAOYSA-N 1 1 307.235 3.943 20 30 DHEDMO C#CC[N@H+](CC1(Br)CC1)[C@H]1CCCc2ccccc21 ZINC001198104650 1036954448 /nfs/dbraw/zinc/95/44/48/1036954448.db2.gz QEJBOWQKGANKAT-INIZCTEOSA-N 1 1 318.258 3.927 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(OCC)cn1)[C@H]1CCCc2ccccc21 ZINC001198104847 1036955871 /nfs/dbraw/zinc/95/58/71/1036955871.db2.gz UCYUMFBEDMBNAG-NRFANRHFSA-N 1 1 320.436 3.993 20 30 DHEDMO C#CC[N@H+](Cc1ccc(OCC)cn1)[C@H]1CCCc2ccccc21 ZINC001198104847 1036955880 /nfs/dbraw/zinc/95/58/80/1036955880.db2.gz UCYUMFBEDMBNAG-NRFANRHFSA-N 1 1 320.436 3.993 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2ccc(OCCCC)cc2)CC1 ZINC000236682491 1036971914 /nfs/dbraw/zinc/97/19/14/1036971914.db2.gz PMDVWEGECZZHOM-UHFFFAOYSA-N 1 1 316.489 3.996 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCSC[C@H](C)C2)ccc1OC ZINC000488396500 1036996191 /nfs/dbraw/zinc/99/61/91/1036996191.db2.gz LHYOMVMSDWKSTB-OAHLLOKOSA-N 1 1 321.486 3.835 20 30 DHEDMO Cc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)ccc1C#N ZINC000488413764 1037011401 /nfs/dbraw/zinc/01/14/01/1037011401.db2.gz ZRDGNVBWIJNJML-OXJNMPFZSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)ccc1C#N ZINC000488413764 1037011418 /nfs/dbraw/zinc/01/14/18/1037011418.db2.gz ZRDGNVBWIJNJML-OXJNMPFZSA-N 1 1 306.409 3.829 20 30 DHEDMO C=CCC[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C)c(F)c1 ZINC001198414111 1037017005 /nfs/dbraw/zinc/01/70/05/1037017005.db2.gz BMVCBXUDQJXHQC-INIZCTEOSA-N 1 1 304.409 3.893 20 30 DHEDMO Cc1cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)ccc1C#N ZINC000488434495 1037019462 /nfs/dbraw/zinc/01/94/62/1037019462.db2.gz TVECNRCJPVSZCL-YWZLYKJASA-N 1 1 324.399 3.968 20 30 DHEDMO Cc1cc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)ccc1C#N ZINC000488434495 1037019479 /nfs/dbraw/zinc/01/94/79/1037019479.db2.gz TVECNRCJPVSZCL-YWZLYKJASA-N 1 1 324.399 3.968 20 30 DHEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC001198457843 1037023854 /nfs/dbraw/zinc/02/38/54/1037023854.db2.gz MBUFKZLCYGHDOW-CQSZACIVSA-N 1 1 308.853 3.633 20 30 DHEDMO C=CCCCCC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000488465398 1037035716 /nfs/dbraw/zinc/03/57/16/1037035716.db2.gz OUBURLYPARJHLJ-GOSISDBHSA-N 1 1 314.473 3.875 20 30 DHEDMO C#CCCCCCC[N@@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)OCC)[C@@H]1C ZINC001198668027 1037102869 /nfs/dbraw/zinc/10/28/69/1037102869.db2.gz SICPEOLYTYEWNH-MHORFTMASA-N 1 1 307.478 3.868 20 30 DHEDMO C#CCCCCCC[N@@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)OCC)[C@H]1C ZINC001198668026 1037104061 /nfs/dbraw/zinc/10/40/61/1037104061.db2.gz SICPEOLYTYEWNH-BSDSXHPESA-N 1 1 307.478 3.868 20 30 DHEDMO C[C@@H]1CN(c2cc(Cl)ccc2C#N)CC[N@H+](C2CCC2)C1 ZINC000488763644 1037129499 /nfs/dbraw/zinc/12/94/99/1037129499.db2.gz QTBGOFDXZVOGEF-ZDUSSCGKSA-N 1 1 303.837 3.522 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000488774140 1037132347 /nfs/dbraw/zinc/13/23/47/1037132347.db2.gz ZVISXWGROUXNTI-HXUWFJFHSA-N 1 1 314.473 3.825 20 30 DHEDMO C[C@H]1CN(c2ccc(Cl)cc2C#N)CC[N@H+](C2CCC2)C1 ZINC000488778998 1037137745 /nfs/dbraw/zinc/13/77/45/1037137745.db2.gz DUTXWJNIBPRFCV-CYBMUJFWSA-N 1 1 303.837 3.522 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000776016214 1037313212 /nfs/dbraw/zinc/31/32/12/1037313212.db2.gz ZNWZNQVZCAZUPQ-BBRMVZONSA-N 1 1 311.347 3.861 20 30 DHEDMO CCc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000489376796 1037396136 /nfs/dbraw/zinc/39/61/36/1037396136.db2.gz YKKUICIQZQQBSD-OAHLLOKOSA-N 1 1 321.424 3.752 20 30 DHEDMO CCc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000489376796 1037396152 /nfs/dbraw/zinc/39/61/52/1037396152.db2.gz YKKUICIQZQQBSD-OAHLLOKOSA-N 1 1 321.424 3.752 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(C)(C)C ZINC000489410847 1037413959 /nfs/dbraw/zinc/41/39/59/1037413959.db2.gz ZYSMWZHWVCCMHJ-HNNXBMFYSA-N 1 1 300.446 3.963 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(C)(C)C ZINC000489410847 1037413966 /nfs/dbraw/zinc/41/39/66/1037413966.db2.gz ZYSMWZHWVCCMHJ-HNNXBMFYSA-N 1 1 300.446 3.963 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000489426778 1037423847 /nfs/dbraw/zinc/42/38/47/1037423847.db2.gz CKHFQJORNYPVMA-JKSUJKDBSA-N 1 1 313.363 3.649 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2nccn2C)cc1 ZINC000489438066 1037432047 /nfs/dbraw/zinc/43/20/47/1037432047.db2.gz LRVHCXPQUJWSCM-KRWDZBQOSA-N 1 1 311.429 3.540 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OCC(F)(F)F)nc1 ZINC000489477219 1037451725 /nfs/dbraw/zinc/45/17/25/1037451725.db2.gz LXAOOVRGTLTGTG-ZDUSSCGKSA-N 1 1 300.324 3.563 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000489462549 1037457319 /nfs/dbraw/zinc/45/73/19/1037457319.db2.gz KWIPXOBAWKXSLN-LBPRGKRZSA-N 1 1 320.234 3.866 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000489462549 1037457325 /nfs/dbraw/zinc/45/73/25/1037457325.db2.gz KWIPXOBAWKXSLN-LBPRGKRZSA-N 1 1 320.234 3.866 20 30 DHEDMO C[C@@H]1[C@@H](Nc2cc(F)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC001186640096 1037461860 /nfs/dbraw/zinc/46/18/60/1037461860.db2.gz XEPQWUUQJNXVTG-KDOFPFPSSA-N 1 1 309.388 3.772 20 30 DHEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000489547244 1037475302 /nfs/dbraw/zinc/47/53/02/1037475302.db2.gz ITOQRNRRLVIQIM-IBGZPJMESA-N 1 1 324.399 3.913 20 30 DHEDMO CC[C@@](C)([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1nccs1 ZINC000152646450 1037477668 /nfs/dbraw/zinc/47/76/68/1037477668.db2.gz DSYPPSPXBOHQDX-SUMWQHHRSA-N 1 1 315.442 3.849 20 30 DHEDMO C[C@H](NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000776153525 1037598721 /nfs/dbraw/zinc/59/87/21/1037598721.db2.gz DCGUSASDZVMEHT-ULQDDVLXSA-N 1 1 315.461 3.502 20 30 DHEDMO C[C@H](NC[C@H](C)[N@H+]1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000776153525 1037598733 /nfs/dbraw/zinc/59/87/33/1037598733.db2.gz DCGUSASDZVMEHT-ULQDDVLXSA-N 1 1 315.461 3.502 20 30 DHEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000493980953 1037617222 /nfs/dbraw/zinc/61/72/22/1037617222.db2.gz HUGNMMUWYWMWKI-GJZGRUSLSA-N 1 1 323.481 3.551 20 30 DHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000916151438 1037699791 /nfs/dbraw/zinc/69/97/91/1037699791.db2.gz ILOFGDSNHCZPJH-HUUCEWRRSA-N 1 1 319.408 3.505 20 30 DHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000916151438 1037699798 /nfs/dbraw/zinc/69/97/98/1037699798.db2.gz ILOFGDSNHCZPJH-HUUCEWRRSA-N 1 1 319.408 3.505 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@H+](C[C@H](C)CCC=C(C)C)C2)C1=O ZINC001201488009 1037707034 /nfs/dbraw/zinc/70/70/34/1037707034.db2.gz WRUUZLJWKONPBS-QUCCMNQESA-N 1 1 318.505 3.869 20 30 DHEDMO Cn1c2ccc(Nc3ncccc3C#N)cc2[nH+]c1C(C)(C)C ZINC000089649254 1037734141 /nfs/dbraw/zinc/73/41/41/1037734141.db2.gz VXYJWYRNMFCXSN-UHFFFAOYSA-N 1 1 305.385 3.881 20 30 DHEDMO Cc1cc(C)cc(N[NH+]=Cc2ccc(N3CCOCC3)s2)c1 ZINC000916346422 1037741693 /nfs/dbraw/zinc/74/16/93/1037741693.db2.gz AHKLNAMOKCRPLZ-UHFFFAOYSA-N 1 1 315.442 3.648 20 30 DHEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](CC(CC)CC)C2)C1 ZINC001201520555 1037763468 /nfs/dbraw/zinc/76/34/68/1037763468.db2.gz DJWZPZLZKUOMBM-GOSISDBHSA-N 1 1 308.466 3.533 20 30 DHEDMO CN(CCC#N)c1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1 ZINC000775156645 1037768012 /nfs/dbraw/zinc/76/80/12/1037768012.db2.gz ANAWPNLJNOXFFI-UHFFFAOYSA-N 1 1 305.385 3.525 20 30 DHEDMO CCCC[C@@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC#N ZINC001273551364 1037768587 /nfs/dbraw/zinc/76/85/87/1037768587.db2.gz LSWYVNKLBVCQGV-KURKYZTESA-N 1 1 319.493 3.572 20 30 DHEDMO CC(C)C[N@@H+](CCc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763397507 1037817264 /nfs/dbraw/zinc/81/72/64/1037817264.db2.gz NEJRWGKUZDVXHP-OAQYLSRUSA-N 1 1 322.452 3.792 20 30 DHEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763411764 1037827418 /nfs/dbraw/zinc/82/74/18/1037827418.db2.gz VCRQMBIRQUQZQW-NHCUHLMSSA-N 1 1 322.452 3.853 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc(C4CC4)nc3)sc2C1 ZINC001201702540 1037848246 /nfs/dbraw/zinc/84/82/46/1037848246.db2.gz MVAPSPWQJMVEOB-UHFFFAOYSA-N 1 1 310.426 3.624 20 30 DHEDMO Cc1cc(C[N@@H+](Cc2ccccc2)CC(C)(C)O)ccc1C#N ZINC000488169520 1037853072 /nfs/dbraw/zinc/85/30/72/1037853072.db2.gz KIXPXGZNOIZATE-UHFFFAOYSA-N 1 1 308.425 3.640 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000185958292 1037856190 /nfs/dbraw/zinc/85/61/90/1037856190.db2.gz WSAUHJGIKCMMAS-IAOVAPTHSA-N 1 1 320.864 3.804 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000185958292 1037856209 /nfs/dbraw/zinc/85/62/09/1037856209.db2.gz WSAUHJGIKCMMAS-IAOVAPTHSA-N 1 1 320.864 3.804 20 30 DHEDMO N#CCCCC[NH+]1CCN(c2c(Cl)cccc2Cl)CC1 ZINC000186029324 1037861651 /nfs/dbraw/zinc/86/16/51/1037861651.db2.gz TTXDXBIGHZMYJV-UHFFFAOYSA-N 1 1 312.244 3.809 20 30 DHEDMO CCCCCCCC[N@@H+]1Cc2cnn(C)c2[C@@H](COCC)C1 ZINC001201813621 1037899547 /nfs/dbraw/zinc/89/95/47/1037899547.db2.gz HJRAFQZGPUANQF-QGZVFWFLSA-N 1 1 307.482 3.716 20 30 DHEDMO CCCCCCCC[N@@H+]1CCCn2cnc(C(=O)OCC)c2C1 ZINC001201805016 1037900333 /nfs/dbraw/zinc/90/03/33/1037900333.db2.gz ZCRITEQFPBYOOE-UHFFFAOYSA-N 1 1 321.465 3.626 20 30 DHEDMO CCCCCCCC[N@H+]1CCCn2cnc(C(=O)OCC)c2C1 ZINC001201805016 1037900349 /nfs/dbraw/zinc/90/03/49/1037900349.db2.gz ZCRITEQFPBYOOE-UHFFFAOYSA-N 1 1 321.465 3.626 20 30 DHEDMO CCCCCCCC[N@@H+]1Cc2nnn(CC)c2[C@@H](COCC)C1 ZINC001201814592 1037901769 /nfs/dbraw/zinc/90/17/69/1037901769.db2.gz QGNNBPZPANVWCC-MRXNPFEDSA-N 1 1 322.497 3.594 20 30 DHEDMO CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001201776690 1037903403 /nfs/dbraw/zinc/90/34/03/1037903403.db2.gz IIECVPFATRCDLC-CALCHBBNSA-N 1 1 320.502 3.722 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001201777496 1037906047 /nfs/dbraw/zinc/90/60/47/1037906047.db2.gz YGZGJEJLQPVPNF-MOPGFXCFSA-N 1 1 318.461 3.664 20 30 DHEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000775182587 1037929315 /nfs/dbraw/zinc/92/93/15/1037929315.db2.gz DSHYDWAQOVKNEX-AWEZNQCLSA-N 1 1 315.438 3.789 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1c(F)cncc1F ZINC000586795669 1037976525 /nfs/dbraw/zinc/97/65/25/1037976525.db2.gz DASAHDONXUMGKB-APPDUMDISA-N 1 1 313.351 3.960 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@@H+](C)Cc2cccc(C#N)c2)c1O ZINC000163969230 1038031706 /nfs/dbraw/zinc/03/17/06/1038031706.db2.gz UFMYPKIHEJCYJX-UHFFFAOYSA-N 1 1 322.408 3.633 20 30 DHEDMO COc1cc(C)cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1O ZINC000164222073 1038104311 /nfs/dbraw/zinc/10/43/11/1038104311.db2.gz OQKMXYQDEUJYSV-UHFFFAOYSA-N 1 1 324.424 3.992 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+](CCC#N)CC(C)(C)C)c1O ZINC000164299827 1038151720 /nfs/dbraw/zinc/15/17/20/1038151720.db2.gz MOVPISCUZTZLFU-UHFFFAOYSA-N 1 1 316.445 3.891 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@@H+](CCC#N)CC(C)(C)C)c1O ZINC000164299827 1038151724 /nfs/dbraw/zinc/15/17/24/1038151724.db2.gz MOVPISCUZTZLFU-UHFFFAOYSA-N 1 1 316.445 3.891 20 30 DHEDMO C=CC[N@@H+](Cc1nc(-c2ccc(OCC)cc2)no1)C(C)C ZINC000917071267 1038171026 /nfs/dbraw/zinc/17/10/26/1038171026.db2.gz PVWIMDUEHWNDPV-UHFFFAOYSA-N 1 1 301.390 3.532 20 30 DHEDMO C=CC[N@H+](Cc1nc(-c2ccc(OCC)cc2)no1)C(C)C ZINC000917071267 1038171031 /nfs/dbraw/zinc/17/10/31/1038171031.db2.gz PVWIMDUEHWNDPV-UHFFFAOYSA-N 1 1 301.390 3.532 20 30 DHEDMO CC[N@H+](CCC#N)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000127601089 1038201890 /nfs/dbraw/zinc/20/18/90/1038201890.db2.gz LFHUAXSYNJELBG-UHFFFAOYSA-N 1 1 322.334 3.627 20 30 DHEDMO CC[N@@H+](CCC#N)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000127601089 1038201904 /nfs/dbraw/zinc/20/19/04/1038201904.db2.gz LFHUAXSYNJELBG-UHFFFAOYSA-N 1 1 322.334 3.627 20 30 DHEDMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000775335964 1038238267 /nfs/dbraw/zinc/23/82/67/1038238267.db2.gz VRWXSAMVCBQHSH-LLVKDONJSA-N 1 1 315.760 3.971 20 30 DHEDMO C=C(C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC001190239180 1038283952 /nfs/dbraw/zinc/28/39/52/1038283952.db2.gz PAFJOIXSTLGJKN-QFBILLFUSA-N 1 1 314.473 3.654 20 30 DHEDMO CCC#C[C@H](C)[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC001190466510 1038327540 /nfs/dbraw/zinc/32/75/40/1038327540.db2.gz YZFKNSJCNVPDJX-HBNTYKKESA-N 1 1 301.274 3.851 20 30 DHEDMO C#CC[N@@H+](Cc1cc(OC(C)C)ccn1)[C@@H]1CCc2ccccc21 ZINC001190528348 1038336934 /nfs/dbraw/zinc/33/69/34/1038336934.db2.gz JWLYAEBPNWWFSN-OAQYLSRUSA-N 1 1 320.436 3.992 20 30 DHEDMO C#CC[N@H+](Cc1cc(OC(C)C)ccn1)[C@@H]1CCc2ccccc21 ZINC001190528348 1038336945 /nfs/dbraw/zinc/33/69/45/1038336945.db2.gz JWLYAEBPNWWFSN-OAQYLSRUSA-N 1 1 320.436 3.992 20 30 DHEDMO C#CC[C@@H]([NH2+]Cc1csc(N(C)C2CC2)n1)c1ccccc1 ZINC000775398915 1038353036 /nfs/dbraw/zinc/35/30/36/1038353036.db2.gz NWHQDTKDRWYVIS-QGZVFWFLSA-N 1 1 311.454 3.596 20 30 DHEDMO CCCCCCCNC(=O)Nc1ccc2c(c1)C[N@H+](C)CC2 ZINC001191110821 1038440118 /nfs/dbraw/zinc/44/01/18/1038440118.db2.gz AACZRFQQXWXIKA-UHFFFAOYSA-N 1 1 303.450 3.766 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000589280553 1038457938 /nfs/dbraw/zinc/45/79/38/1038457938.db2.gz RTODBAMKXNCGPN-OXJNMPFZSA-N 1 1 317.436 3.756 20 30 DHEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1coc(-c3ccccc3)n1)CC2 ZINC000589340681 1038462000 /nfs/dbraw/zinc/46/20/00/1038462000.db2.gz OYRXBQKPBAJYRM-IBGZPJMESA-N 1 1 315.376 3.990 20 30 DHEDMO C=CCOc1ccc(C[N@H+](CC2=NOCC2)C(C)(C)C)cc1 ZINC001192052354 1038585430 /nfs/dbraw/zinc/58/54/30/1038585430.db2.gz DLXLVMWXAGCDJN-UHFFFAOYSA-N 1 1 302.418 3.628 20 30 DHEDMO CC[N@@H+](C[C@H](O)Cc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000249765690 1038593193 /nfs/dbraw/zinc/59/31/93/1038593193.db2.gz OSMQBSGMUVUGQQ-OXQOHEQNSA-N 1 1 308.425 3.545 20 30 DHEDMO COc1cc(C)c(C[N@H+]2CCc3ccc(C#N)cc3C2)cc1C ZINC001203753821 1038622914 /nfs/dbraw/zinc/62/29/14/1038622914.db2.gz AKMGIYCBSKFGGF-UHFFFAOYSA-N 1 1 306.409 3.742 20 30 DHEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc2sccc2c1 ZINC001192466790 1038654763 /nfs/dbraw/zinc/65/47/63/1038654763.db2.gz BFUOBQGJPHAEPJ-HNNXBMFYSA-N 1 1 315.442 3.673 20 30 DHEDMO C=CCCCC[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000572931172 1038655590 /nfs/dbraw/zinc/65/55/90/1038655590.db2.gz YRCMJSQYEMFJCQ-HUUCEWRRSA-N 1 1 305.422 3.804 20 30 DHEDMO C=CCCCC[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000572931172 1038655592 /nfs/dbraw/zinc/65/55/92/1038655592.db2.gz YRCMJSQYEMFJCQ-HUUCEWRRSA-N 1 1 305.422 3.804 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000590755456 1038698358 /nfs/dbraw/zinc/69/83/58/1038698358.db2.gz JRDXOTBZHRLXLV-GUDVDZBRSA-N 1 1 312.457 3.613 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCSC[C@H]2C2CC2)cc1 ZINC000590758725 1038699797 /nfs/dbraw/zinc/69/97/97/1038699797.db2.gz CIJQKHRPEOGALX-KRWDZBQOSA-N 1 1 300.471 3.815 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](CCOCC3CCCC3)CC2)cc1 ZINC001192946420 1038718502 /nfs/dbraw/zinc/71/85/02/1038718502.db2.gz JKOVNSABZKSMKC-UHFFFAOYSA-N 1 1 310.441 3.854 20 30 DHEDMO CCCCCCC[N@@H+]1CCc2c(sc3ncnc(N)c23)C1 ZINC001192956566 1038721511 /nfs/dbraw/zinc/72/15/11/1038721511.db2.gz UXMWWSBNDSGSFM-UHFFFAOYSA-N 1 1 304.463 3.602 20 30 DHEDMO CCCCCCC[N@H+]1CCc2c(sc3ncnc(N)c23)C1 ZINC001192956566 1038721514 /nfs/dbraw/zinc/72/15/14/1038721514.db2.gz UXMWWSBNDSGSFM-UHFFFAOYSA-N 1 1 304.463 3.602 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000591045348 1038748150 /nfs/dbraw/zinc/74/81/50/1038748150.db2.gz HGZNJLHTGTYVEB-VQTJNVASSA-N 1 1 320.436 3.796 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(NCCC#N)cc1)C[C@@H]1CCCCO1 ZINC000591774288 1038994878 /nfs/dbraw/zinc/99/48/78/1038994878.db2.gz IHJGHZBYJJEFNP-IBGZPJMESA-N 1 1 315.461 3.792 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nn(C)c2ccccc12 ZINC000591839134 1039016249 /nfs/dbraw/zinc/01/62/49/1039016249.db2.gz SPPXMKRJSMTVNX-CQSZACIVSA-N 1 1 304.397 3.638 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nn(C)c2ccccc12 ZINC000591839134 1039016267 /nfs/dbraw/zinc/01/62/67/1039016267.db2.gz SPPXMKRJSMTVNX-CQSZACIVSA-N 1 1 304.397 3.638 20 30 DHEDMO Cc1[nH]c2nc[nH+]c(N(C)[C@@H](C)c3cccc(C#N)c3)c2c1C ZINC000591954358 1039053054 /nfs/dbraw/zinc/05/30/54/1039053054.db2.gz PBSDSZJWGQEJGX-ZDUSSCGKSA-N 1 1 305.385 3.644 20 30 DHEDMO C=CC[N@H+](CCCCC(=O)OC)Cc1ccc(Cl)s1 ZINC000599253385 1039102656 /nfs/dbraw/zinc/10/26/56/1039102656.db2.gz JVZMCDQFRZCJQI-UHFFFAOYSA-N 1 1 301.839 3.733 20 30 DHEDMO Cc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)cc1C#N ZINC000599260688 1039104652 /nfs/dbraw/zinc/10/46/52/1039104652.db2.gz JERZUEBKABOLLH-UHFFFAOYSA-N 1 1 321.424 3.554 20 30 DHEDMO Cc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)cc1C#N ZINC000599260688 1039104658 /nfs/dbraw/zinc/10/46/58/1039104658.db2.gz JERZUEBKABOLLH-UHFFFAOYSA-N 1 1 321.424 3.554 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)cc(OC)c1 ZINC000599270429 1039111374 /nfs/dbraw/zinc/11/13/74/1039111374.db2.gz JLVYWZJDPVUKMS-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO CCOc1ccc(C[N@H+](Cc2ccncc2C#N)C(C)C)cc1 ZINC000592068321 1039115786 /nfs/dbraw/zinc/11/57/86/1039115786.db2.gz WBDJYPZBEWTUQV-UHFFFAOYSA-N 1 1 309.413 3.763 20 30 DHEDMO CCOc1ccc(C[N@@H+](Cc2ccncc2C#N)C(C)C)cc1 ZINC000592068321 1039115793 /nfs/dbraw/zinc/11/57/93/1039115793.db2.gz WBDJYPZBEWTUQV-UHFFFAOYSA-N 1 1 309.413 3.763 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccncc1C#N)c1cccc(C(F)(F)F)c1 ZINC000592097016 1039119249 /nfs/dbraw/zinc/11/92/49/1039119249.db2.gz OMTGJWVLKHIIAA-LLVKDONJSA-N 1 1 305.303 3.823 20 30 DHEDMO Cc1ccc(C[N@H+](Cc2ccccc2)[C@H](C)CCO)cc1C#N ZINC000599344937 1039125650 /nfs/dbraw/zinc/12/56/50/1039125650.db2.gz KQIAHYQTCGGEOX-QGZVFWFLSA-N 1 1 308.425 3.640 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000592134943 1039127889 /nfs/dbraw/zinc/12/78/89/1039127889.db2.gz VHUCMMHEEQHOEK-MJGOQNOKSA-N 1 1 312.457 3.879 20 30 DHEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CCC2)c1 ZINC000592139316 1039134985 /nfs/dbraw/zinc/13/49/85/1039134985.db2.gz VDMHCEAWXRYGIH-NRFANRHFSA-N 1 1 320.436 3.721 20 30 DHEDMO COc1ccc(C#N)cc1C[NH2+]C1(c2ccccc2F)CCC1 ZINC000592145430 1039138096 /nfs/dbraw/zinc/13/80/96/1039138096.db2.gz ZUUDCJYDYZTRJM-UHFFFAOYSA-N 1 1 310.372 3.875 20 30 DHEDMO Cc1ccc(C[N@H+](Cc2ccc(F)c(C#N)c2)CC2CC2)cn1 ZINC000592145823 1039143867 /nfs/dbraw/zinc/14/38/67/1039143867.db2.gz CQVDYXGESOMYFE-UHFFFAOYSA-N 1 1 309.388 3.813 20 30 DHEDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1C#N ZINC000599393590 1039146527 /nfs/dbraw/zinc/14/65/27/1039146527.db2.gz KMRNSWNCYFOZER-AQNXPRMDSA-N 1 1 312.457 3.772 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](O)[C@H]2CCc2ccccc2)c1 ZINC000592168557 1039163138 /nfs/dbraw/zinc/16/31/38/1039163138.db2.gz RNAYLXAWOLSESU-NHCUHLMSSA-N 1 1 320.436 3.516 20 30 DHEDMO N#Cc1csc(C[NH2+]C2(c3cccc(Cl)c3)CCC2)n1 ZINC000592185364 1039172065 /nfs/dbraw/zinc/17/20/65/1039172065.db2.gz YEXXCGCSLORFRA-UHFFFAOYSA-N 1 1 303.818 3.837 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3C3CCC3)o2)cc1 ZINC000592198230 1039181907 /nfs/dbraw/zinc/18/19/07/1039181907.db2.gz LFZRMKHNESXGKH-QGZVFWFLSA-N 1 1 322.412 3.763 20 30 DHEDMO N#CCSCCC[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599516910 1039187216 /nfs/dbraw/zinc/18/72/16/1039187216.db2.gz ZOYIQJBJPBFUPU-AWEZNQCLSA-N 1 1 310.413 3.791 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000599629802 1039236796 /nfs/dbraw/zinc/23/67/96/1039236796.db2.gz MSBCXGQOZVXTGN-IAGOWNOFSA-N 1 1 318.436 3.694 20 30 DHEDMO COc1cccc(CCC[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599679652 1039266197 /nfs/dbraw/zinc/26/61/97/1039266197.db2.gz WRYFPDFYUXAUAD-UHFFFAOYSA-N 1 1 320.436 3.752 20 30 DHEDMO CCOc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599686218 1039267919 /nfs/dbraw/zinc/26/79/19/1039267919.db2.gz OFKBANKPDKNGCX-UHFFFAOYSA-N 1 1 306.409 3.710 20 30 DHEDMO N#CCCCC[NH+]1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000593053561 1039379307 /nfs/dbraw/zinc/37/93/07/1039379307.db2.gz XUTORTUDPLIXSN-UHFFFAOYSA-N 1 1 312.244 3.809 20 30 DHEDMO CCC[N@@H+](CCOc1ccccc1C#N)Cc1ccc(OC)cc1 ZINC000604492966 1039485172 /nfs/dbraw/zinc/48/51/72/1039485172.db2.gz OVSTVEBQWKRMDX-UHFFFAOYSA-N 1 1 324.424 3.858 20 30 DHEDMO CC(C)(C)OC(=O)c1cccc(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000593653716 1039581167 /nfs/dbraw/zinc/58/11/67/1039581167.db2.gz UVWKODWNIRMWGB-UHFFFAOYSA-N 1 1 314.429 3.815 20 30 DHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1C(C)C ZINC000605026266 1039606994 /nfs/dbraw/zinc/60/69/94/1039606994.db2.gz KTLWZKAWKPAAFO-OALUTQOASA-N 1 1 317.473 3.665 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCCC#N)cc2)C1 ZINC000593963966 1039658911 /nfs/dbraw/zinc/65/89/11/1039658911.db2.gz BDQSJZKVEPQSPF-INIZCTEOSA-N 1 1 313.445 3.941 20 30 DHEDMO C=CC[N@@H+](CCc1nc2ccccc2n1C)CCc1ccccc1 ZINC000605574420 1039718063 /nfs/dbraw/zinc/71/80/63/1039718063.db2.gz MPMKMRCQIBLXGR-UHFFFAOYSA-N 1 1 319.452 3.847 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCCCC#N)CC1 ZINC000594320724 1039749449 /nfs/dbraw/zinc/74/94/49/1039749449.db2.gz ZJFALLZABCYTQT-QGZVFWFLSA-N 1 1 319.493 3.573 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cn1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000593952244 1039797809 /nfs/dbraw/zinc/79/78/09/1039797809.db2.gz UIEBJOMFAHNNQM-AZUAARDMSA-N 1 1 321.424 3.553 20 30 DHEDMO C[C@H](CNCc1ccc(C(C)(C)C#N)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000594493989 1039797910 /nfs/dbraw/zinc/79/79/10/1039797910.db2.gz CYMNDAUQWJFHBE-DLBZAZTESA-N 1 1 313.489 3.698 20 30 DHEDMO C[C@H](CNCc1ccc(C(C)(C)C#N)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000594493989 1039797928 /nfs/dbraw/zinc/79/79/28/1039797928.db2.gz CYMNDAUQWJFHBE-DLBZAZTESA-N 1 1 313.489 3.698 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)nc1 ZINC000593962862 1039839301 /nfs/dbraw/zinc/83/93/01/1039839301.db2.gz CCVDDAOUNGZNFQ-KRWDZBQOSA-N 1 1 316.408 3.814 20 30 DHEDMO C[C@@H](C[C@H]1CCCCC[NH2+]1)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594584785 1039859050 /nfs/dbraw/zinc/85/90/50/1039859050.db2.gz JPWXOLGSOMTPFF-QFBILLFUSA-N 1 1 311.473 3.838 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000606454349 1039892180 /nfs/dbraw/zinc/89/21/80/1039892180.db2.gz LYZNWGWSQSKWAX-KRWDZBQOSA-N 1 1 318.461 3.930 20 30 DHEDMO C=C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)CC1 ZINC000594733828 1039903685 /nfs/dbraw/zinc/90/36/85/1039903685.db2.gz ATVGRSYOFLZGOK-KRWDZBQOSA-N 1 1 314.473 3.714 20 30 DHEDMO C[NH+](C)C1(CNCc2ccc(C3(C#N)CC3)cc2)CCCCC1 ZINC000594926797 1039928298 /nfs/dbraw/zinc/92/82/98/1039928298.db2.gz YTARBNLOGVXFFF-UHFFFAOYSA-N 1 1 311.473 3.596 20 30 DHEDMO CN(C)CC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C(C)(C)C ZINC000594924725 1039928649 /nfs/dbraw/zinc/92/86/49/1039928649.db2.gz MSTPBVBRFMIWSM-GOSISDBHSA-N 1 1 313.489 3.698 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2cccc(OC3CC3)c2F)s1 ZINC000594950586 1039960239 /nfs/dbraw/zinc/96/02/39/1039960239.db2.gz NSQQRODVXRWEHQ-UHFFFAOYSA-N 1 1 302.374 3.590 20 30 DHEDMO CCN(CC)c1ncc(C[NH2+]CC2(C#N)CCCCC2)s1 ZINC000594994785 1040009869 /nfs/dbraw/zinc/00/98/69/1040009869.db2.gz LINJZHAPAJJBRN-UHFFFAOYSA-N 1 1 306.479 3.553 20 30 DHEDMO C=CCCSCC[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000595057154 1040021927 /nfs/dbraw/zinc/02/19/27/1040021927.db2.gz AVNSPMPKCXAFIQ-KRWDZBQOSA-N 1 1 319.449 3.548 20 30 DHEDMO N#Cc1ccc2c(c1)[C@@H](N[C@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000595079990 1040073019 /nfs/dbraw/zinc/07/30/19/1040073019.db2.gz IMEXALZPHZGNHZ-PXNSSMCTSA-N 1 1 309.457 3.542 20 30 DHEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(C3CCCCC3)C1)CC2 ZINC000595079990 1040073037 /nfs/dbraw/zinc/07/30/37/1040073037.db2.gz IMEXALZPHZGNHZ-PXNSSMCTSA-N 1 1 309.457 3.542 20 30 DHEDMO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)C[C@@H](c2ccccc2)O1 ZINC000595294573 1040090961 /nfs/dbraw/zinc/09/09/61/1040090961.db2.gz POTOPILURAIEHZ-UZLBHIALSA-N 1 1 306.409 3.563 20 30 DHEDMO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 ZINC000595294572 1040093389 /nfs/dbraw/zinc/09/33/89/1040093389.db2.gz POTOPILURAIEHZ-OXQOHEQNSA-N 1 1 306.409 3.563 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](CCc3ccc(C#N)cc3)C2)cc1 ZINC000595303357 1040105903 /nfs/dbraw/zinc/10/59/03/1040105903.db2.gz JPLLKFOLGBFSJV-IBGZPJMESA-N 1 1 306.409 3.599 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c1=S ZINC000172918733 1040116906 /nfs/dbraw/zinc/11/69/06/1040116906.db2.gz OWNPLATWOPOCKW-UONOGXRCSA-N 1 1 320.506 3.945 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@H+]2C[C@@H](C)CCC[C@H]2C)c1=S ZINC000172918733 1040116914 /nfs/dbraw/zinc/11/69/14/1040116914.db2.gz OWNPLATWOPOCKW-UONOGXRCSA-N 1 1 320.506 3.945 20 30 DHEDMO N#Cc1ccc(C2=CC[N@H+](Cc3cc(C4CC4)no3)CC2)cc1 ZINC000595409598 1040130025 /nfs/dbraw/zinc/13/00/25/1040130025.db2.gz XZHGIMPMVFLYLF-UHFFFAOYSA-N 1 1 305.381 3.713 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cc(C4CC4)no3)CC2)cc1 ZINC000595409598 1040130034 /nfs/dbraw/zinc/13/00/34/1040130034.db2.gz XZHGIMPMVFLYLF-UHFFFAOYSA-N 1 1 305.381 3.713 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C(F)F)C2)c(C(F)(F)F)c1 ZINC000595404654 1040139453 /nfs/dbraw/zinc/13/94/53/1040139453.db2.gz RKBLXTKTFGTPGY-LLVKDONJSA-N 1 1 304.262 3.664 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)F)C2)c(C(F)(F)F)c1 ZINC000595404654 1040139454 /nfs/dbraw/zinc/13/94/54/1040139454.db2.gz RKBLXTKTFGTPGY-LLVKDONJSA-N 1 1 304.262 3.664 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000595467897 1040147924 /nfs/dbraw/zinc/14/79/24/1040147924.db2.gz VAMWXPCAWBDZRC-AQNXPRMDSA-N 1 1 312.457 3.506 20 30 DHEDMO C[C@H]1CN([C@@H](C#N)c2ccc(Cl)cc2)CC[N@H+](C2CCC2)C1 ZINC000595502993 1040155590 /nfs/dbraw/zinc/15/55/90/1040155590.db2.gz YHCKSQSAAHFRNY-KDOFPFPSSA-N 1 1 317.864 3.711 20 30 DHEDMO CCOC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCCCC(C)(C)C#N)[C@@H]1C ZINC000595554681 1040172878 /nfs/dbraw/zinc/17/28/78/1040172878.db2.gz PAJGPDGCICVVBT-ARFHVFGLSA-N 1 1 308.466 3.759 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C)C2)cc1 ZINC000158261840 1040184385 /nfs/dbraw/zinc/18/43/85/1040184385.db2.gz BUBUESLLAFXUQC-HZPDHXFCSA-N 1 1 322.880 3.810 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000595613601 1040208647 /nfs/dbraw/zinc/20/86/47/1040208647.db2.gz FPYXYVQVKUMQRA-CYBMUJFWSA-N 1 1 312.335 3.710 20 30 DHEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC2(CCCC2)CC1 ZINC000595641486 1040210789 /nfs/dbraw/zinc/21/07/89/1040210789.db2.gz NTPUMDZOOZTOGO-UHFFFAOYSA-N 1 1 317.458 3.605 20 30 DHEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC2(CCCC2)CC1 ZINC000595641486 1040210799 /nfs/dbraw/zinc/21/07/99/1040210799.db2.gz NTPUMDZOOZTOGO-UHFFFAOYSA-N 1 1 317.458 3.605 20 30 DHEDMO C[C@H](O)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000595764523 1040234881 /nfs/dbraw/zinc/23/48/81/1040234881.db2.gz AMMXBJXETQYVBT-MGPUTAFESA-N 1 1 306.409 3.570 20 30 DHEDMO N#CC1(CCC[N@H+]2CC[C@H](C3CCCCC3)C2)CCOCC1 ZINC000595731524 1040235097 /nfs/dbraw/zinc/23/50/97/1040235097.db2.gz AJJMLEFLJIHKKA-SFHVURJKSA-N 1 1 304.478 3.989 20 30 DHEDMO C=CC1CC[NH+]([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000607731576 1040236652 /nfs/dbraw/zinc/23/66/52/1040236652.db2.gz HQEDNEFVQPANAK-KRWDZBQOSA-N 1 1 318.848 3.733 20 30 DHEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN([C@@H](C#N)c2ccccc2)C1 ZINC000595749570 1040240030 /nfs/dbraw/zinc/24/00/30/1040240030.db2.gz OCDKGWQFDVCJSJ-SFTDATJTSA-N 1 1 319.452 3.500 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c(Cl)c1 ZINC000595789294 1040253207 /nfs/dbraw/zinc/25/32/07/1040253207.db2.gz QNCHROWQCHKICE-AEFFLSMTSA-N 1 1 318.848 3.993 20 30 DHEDMO C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccc(C#N)cc1F ZINC000596117468 1040305163 /nfs/dbraw/zinc/30/51/63/1040305163.db2.gz HDOLPCSBEXDQOL-JTQLQIEISA-N 1 1 323.293 3.962 20 30 DHEDMO N#CC1(c2ccc(CN3CCC[N@H+](C4CCCC4)CC3)cc2)CC1 ZINC000596992773 1040628178 /nfs/dbraw/zinc/62/81/78/1040628178.db2.gz FTWISLNWUHMONU-UHFFFAOYSA-N 1 1 323.484 3.692 20 30 DHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C#N)CC(C)C)cc1 ZINC000608823418 1040629997 /nfs/dbraw/zinc/62/99/97/1040629997.db2.gz DYVSBTJCLMEHKS-GOSISDBHSA-N 1 1 315.461 3.587 20 30 DHEDMO C=CC[N@H+](Cc1ccc2c(c1)OCCO2)Cc1ccccc1F ZINC000063994870 1040639601 /nfs/dbraw/zinc/63/96/01/1040639601.db2.gz RBAURTTWQYPPJC-UHFFFAOYSA-N 1 1 313.372 3.785 20 30 DHEDMO C=CC[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1ccccc1F ZINC000063994870 1040639610 /nfs/dbraw/zinc/63/96/10/1040639610.db2.gz RBAURTTWQYPPJC-UHFFFAOYSA-N 1 1 313.372 3.785 20 30 DHEDMO C#CCOc1ccc(C[NH2+]Cc2coc(-c3ccccc3)n2)cc1 ZINC000174475208 1040646342 /nfs/dbraw/zinc/64/63/42/1040646342.db2.gz MLXJGUNFMFJQEB-UHFFFAOYSA-N 1 1 318.376 3.643 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+](Cc3cccnc3)C3CC3)cc2)CC1 ZINC000597133650 1040659191 /nfs/dbraw/zinc/65/91/91/1040659191.db2.gz VTLQYGSMSLWPHM-UHFFFAOYSA-N 1 1 303.409 3.801 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CC4(CCOCC4)[C@H]3C3CC3)cc2)CC1 ZINC000597136348 1040661657 /nfs/dbraw/zinc/66/16/57/1040661657.db2.gz VVTACSJDOOEMJO-LJQANCHMSA-N 1 1 322.452 3.633 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H]3[C@H]3CCCOC3)cc2)CC1 ZINC000597154028 1040666461 /nfs/dbraw/zinc/66/64/61/1040666461.db2.gz LCTONXBZPRGUBJ-HKUYNNGSSA-N 1 1 310.441 3.633 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H]3[C@H]3CCCOC3)cc2)CC1 ZINC000597154031 1040666714 /nfs/dbraw/zinc/66/67/14/1040666714.db2.gz LCTONXBZPRGUBJ-PKOBYXMFSA-N 1 1 310.441 3.633 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCSC[C@@H]3C3CCC3)cc2)CC1 ZINC000597156472 1040670530 /nfs/dbraw/zinc/67/05/30/1040670530.db2.gz ZWAFZRLUTDRSND-GOSISDBHSA-N 1 1 312.482 3.959 20 30 DHEDMO COCc1csc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000597157121 1040670609 /nfs/dbraw/zinc/67/06/09/1040670609.db2.gz FBGUTOKODUWRJO-CYBMUJFWSA-N 1 1 300.427 3.959 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@@H+](CC)[C@@H](C)C(C)C)c1=S ZINC000064111979 1040670771 /nfs/dbraw/zinc/67/07/71/1040670771.db2.gz AHPWHWXPLBJTGN-ZDUSSCGKSA-N 1 1 308.495 3.801 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@H+](CC)[C@@H](C)C(C)C)c1=S ZINC000064111979 1040670775 /nfs/dbraw/zinc/67/07/75/1040670775.db2.gz AHPWHWXPLBJTGN-ZDUSSCGKSA-N 1 1 308.495 3.801 20 30 DHEDMO Cc1ccc(COc2ccc(C[NH+]3CC(CC#N)C3)cc2)cc1 ZINC000597193957 1040674769 /nfs/dbraw/zinc/67/47/69/1040674769.db2.gz SPMVGJGZFIBOQL-UHFFFAOYSA-N 1 1 306.409 3.920 20 30 DHEDMO CCCOc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1OC ZINC000597173577 1040675059 /nfs/dbraw/zinc/67/50/59/1040675059.db2.gz KGZNKFINWHMFCQ-OAHLLOKOSA-N 1 1 302.418 3.610 20 30 DHEDMO CCOc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1OC(F)F ZINC000597174448 1040675650 /nfs/dbraw/zinc/67/56/50/1040675650.db2.gz QUMJNAYXYDDAQG-ZDUSSCGKSA-N 1 1 324.371 3.812 20 30 DHEDMO CCCOc1c(C[N@H+]2CCC[C@H](CC#N)C2)cccc1OCC ZINC000597174434 1040676195 /nfs/dbraw/zinc/67/61/95/1040676195.db2.gz QJCJCXMJHWUVMY-MRXNPFEDSA-N 1 1 316.445 4.000 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1OC ZINC000597175239 1040678547 /nfs/dbraw/zinc/67/85/47/1040678547.db2.gz XHEQEPMTYNNTMN-MRXNPFEDSA-N 1 1 314.429 3.776 20 30 DHEDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cn1 ZINC000597177491 1040678614 /nfs/dbraw/zinc/67/86/14/1040678614.db2.gz NCWVOFNBBOWGBJ-KRWDZBQOSA-N 1 1 320.440 3.975 20 30 DHEDMO CCC[N@H+](CC(=O)Nc1cccc(C#N)c1)CC1CCCCC1 ZINC000060495865 1040685821 /nfs/dbraw/zinc/68/58/21/1040685821.db2.gz VFBDSJAXEXUHPY-UHFFFAOYSA-N 1 1 313.445 3.789 20 30 DHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000385920450 1040719101 /nfs/dbraw/zinc/71/91/01/1040719101.db2.gz KMPGBIOROXHNLY-ZDUSSCGKSA-N 1 1 300.299 3.860 20 30 DHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000385920450 1040719116 /nfs/dbraw/zinc/71/91/16/1040719116.db2.gz KMPGBIOROXHNLY-ZDUSSCGKSA-N 1 1 300.299 3.860 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456353098 1040786977 /nfs/dbraw/zinc/78/69/77/1040786977.db2.gz ZBDIBIWAFDJXBE-FXAWDEMLSA-N 1 1 314.473 3.569 20 30 DHEDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cccc(C#N)n1 ZINC000602426152 1041025571 /nfs/dbraw/zinc/02/55/71/1041025571.db2.gz YJPTXNLOQJWFLQ-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cccc(C#N)n1 ZINC000602426152 1041025579 /nfs/dbraw/zinc/02/55/79/1041025579.db2.gz YJPTXNLOQJWFLQ-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO CC[N@H+]([C@@H](c1nccn1C)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602443012 1041036241 /nfs/dbraw/zinc/03/62/41/1041036241.db2.gz FLGGXVJCRYHEII-KBXCAEBGSA-N 1 1 308.429 3.826 20 30 DHEDMO CC[N@@H+](Cc1cncc(OC)c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000602445075 1041036371 /nfs/dbraw/zinc/03/63/71/1041036371.db2.gz RRFGJTGCRSFDKC-OAHLLOKOSA-N 1 1 309.413 3.853 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000602448306 1041038217 /nfs/dbraw/zinc/03/82/17/1041038217.db2.gz DWEDTACSIFCAEQ-GARJFASQSA-N 1 1 316.289 3.989 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCc2cccc(Br)c2C1 ZINC000602475990 1041039450 /nfs/dbraw/zinc/03/94/50/1041039450.db2.gz VGVCQZICCLHFFM-LBPRGKRZSA-N 1 1 307.235 3.747 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)CCc1ccc(Br)cc1 ZINC000602459275 1041044060 /nfs/dbraw/zinc/04/40/60/1041044060.db2.gz SODULBIAXPONAT-CYBMUJFWSA-N 1 1 309.251 3.863 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000602463152 1041046907 /nfs/dbraw/zinc/04/69/07/1041046907.db2.gz RPVPJWPPJMHTPB-XJKSGUPXSA-N 1 1 324.371 3.601 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000602467562 1041047397 /nfs/dbraw/zinc/04/73/97/1041047397.db2.gz XMUQGKVXBAFPBI-KDOFPFPSSA-N 1 1 314.408 3.520 20 30 DHEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602482989 1041055090 /nfs/dbraw/zinc/05/50/90/1041055090.db2.gz HYIXEZQXHNMQBK-DOTOQJQBSA-N 1 1 310.445 3.749 20 30 DHEDMO Cn1c2ccc(NCc3cccc(C#N)n3)cc2[nH+]c1C(C)(C)C ZINC000602604203 1041121648 /nfs/dbraw/zinc/12/16/48/1041121648.db2.gz ORHSTZNTUITZDA-UHFFFAOYSA-N 1 1 319.412 3.750 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](C)CCc1cccc(Br)c1 ZINC000602677809 1041159041 /nfs/dbraw/zinc/15/90/41/1041159041.db2.gz UQOSGJQQJODSGW-ZDUSSCGKSA-N 1 1 309.251 3.863 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)n1 ZINC000602701532 1041164280 /nfs/dbraw/zinc/16/42/80/1041164280.db2.gz CKSLIUYIVNRKKX-IBGZPJMESA-N 1 1 301.393 3.847 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)n1 ZINC000602701532 1041164288 /nfs/dbraw/zinc/16/42/88/1041164288.db2.gz CKSLIUYIVNRKKX-IBGZPJMESA-N 1 1 301.393 3.847 20 30 DHEDMO CC1(C)CC(=NOCc2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000761271362 1041173692 /nfs/dbraw/zinc/17/36/92/1041173692.db2.gz HBZQYVVHBFMPOC-UHFFFAOYSA-N 1 1 309.413 3.639 20 30 DHEDMO C[C@H](CC#N)[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000602870628 1041272153 /nfs/dbraw/zinc/27/21/53/1041272153.db2.gz NZJHAAREPPBDMH-QGZVFWFLSA-N 1 1 303.409 3.778 20 30 DHEDMO C[N@H+](Cc1nc2cc(C(F)(F)F)ccc2[nH]1)[C@H]1CC[C@@H](C#N)C1 ZINC000602893699 1041300487 /nfs/dbraw/zinc/30/04/87/1041300487.db2.gz SIJRBDWWPNMVQT-PWSUYJOCSA-N 1 1 322.334 3.706 20 30 DHEDMO C[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2[nH]1)[C@H]1CC[C@@H](C#N)C1 ZINC000602893699 1041300497 /nfs/dbraw/zinc/30/04/97/1041300497.db2.gz SIJRBDWWPNMVQT-PWSUYJOCSA-N 1 1 322.334 3.706 20 30 DHEDMO C[N@H+](Cc1ccc(OCc2cccnc2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602977714 1041327804 /nfs/dbraw/zinc/32/78/04/1041327804.db2.gz GFCRSMQFINIXLK-ICSRJNTNSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602977714 1041327816 /nfs/dbraw/zinc/32/78/16/1041327816.db2.gz GFCRSMQFINIXLK-ICSRJNTNSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@H](O)CC(C)(C)C#N ZINC000598583907 1041334701 /nfs/dbraw/zinc/33/47/01/1041334701.db2.gz HEDUTUVUPMULRA-CYBMUJFWSA-N 1 1 315.244 3.726 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000598585460 1041349006 /nfs/dbraw/zinc/34/90/06/1041349006.db2.gz DMCITWXRDCWGSX-INIZCTEOSA-N 1 1 306.837 3.605 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000598587333 1041350784 /nfs/dbraw/zinc/35/07/84/1041350784.db2.gz QGTAXGKVVHTEIN-HZPDHXFCSA-N 1 1 320.864 3.648 20 30 DHEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598594255 1041353971 /nfs/dbraw/zinc/35/39/71/1041353971.db2.gz FEYYJFPDCKIHOC-XOKHGSTOSA-N 1 1 304.409 3.509 20 30 DHEDMO C[N@@H+](C[C@H](O)CC(C)(C)C#N)C1c2ccccc2-c2ccccc21 ZINC000598596894 1041357434 /nfs/dbraw/zinc/35/74/34/1041357434.db2.gz BBJJKRSRPJDOMF-OAHLLOKOSA-N 1 1 320.436 3.989 20 30 DHEDMO C[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000598621305 1041364939 /nfs/dbraw/zinc/36/49/39/1041364939.db2.gz JOAXIMBYNIYOMN-QRVBRYPASA-N 1 1 314.473 3.945 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000598623033 1041364977 /nfs/dbraw/zinc/36/49/77/1041364977.db2.gz SXVBYHCCYKSOGY-IAGOWNOFSA-N 1 1 300.446 3.760 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000598622176 1041365231 /nfs/dbraw/zinc/36/52/31/1041365231.db2.gz MEXGGRCKAPSRIV-SJORKVTESA-N 1 1 300.446 3.555 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000598624622 1041365286 /nfs/dbraw/zinc/36/52/86/1041365286.db2.gz JHMZBRFVQHKHOI-MSOLQXFVSA-N 1 1 310.441 3.680 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](CC)CC(=C)C ZINC000096953972 185393819 /nfs/dbraw/zinc/39/38/19/185393819.db2.gz UYJKODDRJSAYES-UHFFFAOYSA-N 1 1 304.459 3.801 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](CC)CC(=C)C ZINC000096953972 185393820 /nfs/dbraw/zinc/39/38/20/185393820.db2.gz UYJKODDRJSAYES-UHFFFAOYSA-N 1 1 304.459 3.801 20 30 DHEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000090117730 185282966 /nfs/dbraw/zinc/28/29/66/185282966.db2.gz KXBOPEXYUIUEHT-LBPRGKRZSA-N 1 1 314.408 3.808 20 30 DHEDMO C=C(C)[C@@H](CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)OCC ZINC000280001719 334961500 /nfs/dbraw/zinc/96/15/00/334961500.db2.gz LHQNSVQCRPLJCM-MRXNPFEDSA-N 1 1 324.852 3.711 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](COCC)C2)cc1OC ZINC000093419244 335000481 /nfs/dbraw/zinc/00/04/81/335000481.db2.gz DHSSZKCYEGWWAE-KRWDZBQOSA-N 1 1 319.445 3.509 20 30 DHEDMO COc1ccc2c(c1)CC[N@@H+]([C@H](C)c1cccc(C#N)c1)CC2 ZINC000442668523 335001238 /nfs/dbraw/zinc/00/12/38/335001238.db2.gz AYKPMJUWPCSJEK-OAHLLOKOSA-N 1 1 306.409 3.729 20 30 DHEDMO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000563830254 335034197 /nfs/dbraw/zinc/03/41/97/335034197.db2.gz AXFSXHXZOCUQLE-GXTWGEPZSA-N 1 1 319.474 3.705 20 30 DHEDMO C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000563830254 335034198 /nfs/dbraw/zinc/03/41/98/335034198.db2.gz AXFSXHXZOCUQLE-GXTWGEPZSA-N 1 1 319.474 3.705 20 30 DHEDMO C#Cc1ccc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000289355826 335058115 /nfs/dbraw/zinc/05/81/15/335058115.db2.gz YBMXSWVGBXPBFV-QRQCRPRQSA-N 1 1 311.450 3.598 20 30 DHEDMO C#Cc1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000289355824 335058314 /nfs/dbraw/zinc/05/83/14/335058314.db2.gz YBMXSWVGBXPBFV-OYHNWAKOSA-N 1 1 311.450 3.598 20 30 DHEDMO CC(=O)Nc1ccn([C@H]2CC[N@@H+](Cc3c(C)cccc3C)C2)n1 ZINC000328637601 257263637 /nfs/dbraw/zinc/26/36/37/257263637.db2.gz WBPDOHMCUKPZOK-INIZCTEOSA-N 1 1 312.417 3.555 20 30 DHEDMO C[C@H](Nc1ccc(Cl)c(C#N)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273028545 130083468 /nfs/dbraw/zinc/08/34/68/130083468.db2.gz USNCIVXSPSGPMP-QWHCGFSZSA-N 1 1 318.852 3.672 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC[C@H]1O ZINC000275390196 130312040 /nfs/dbraw/zinc/31/20/40/130312040.db2.gz CLYLIBIUTPTHHK-HXUWFJFHSA-N 1 1 320.436 3.818 20 30 DHEDMO C#Cc1ccc(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)cc1 ZINC000289578213 335064385 /nfs/dbraw/zinc/06/43/85/335064385.db2.gz HTSXTWOFOPCCGY-JTQLQIEISA-N 1 1 310.344 3.994 20 30 DHEDMO C[C@@]12CC[N@H+](Cc3ccc(C#N)s3)C[C@@H]1C2(Cl)Cl ZINC000284230956 131060857 /nfs/dbraw/zinc/06/08/57/131060857.db2.gz DLZLICQZOBBUOP-NWDGAFQWSA-N 1 1 301.242 3.635 20 30 DHEDMO C[C@@]12CC[N@@H+](Cc3ccc(C#N)s3)C[C@@H]1C2(Cl)Cl ZINC000284230956 131060859 /nfs/dbraw/zinc/06/08/59/131060859.db2.gz DLZLICQZOBBUOP-NWDGAFQWSA-N 1 1 301.242 3.635 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](CC)Cc2ccncc2)cc1OC ZINC000289816572 335065767 /nfs/dbraw/zinc/06/57/67/335065767.db2.gz NVZHCBZHBKRVDP-UHFFFAOYSA-N 1 1 312.413 3.677 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](n3cccn3)C2)cc1Cl ZINC000291363632 335080095 /nfs/dbraw/zinc/08/00/95/335080095.db2.gz YOOYQKWIPPLIRW-HNNXBMFYSA-N 1 1 317.820 3.548 20 30 DHEDMO Cc1c(Cl)cnc(NC[C@H]2CCC[N@H+](CC(C)C)C2)c1C#N ZINC000542208030 435647530 /nfs/dbraw/zinc/64/75/30/435647530.db2.gz DDVAQXGZELNGOC-CQSZACIVSA-N 1 1 320.868 3.695 20 30 DHEDMO Cc1c(Cl)cnc(NCC[N@H+](C)C2CCCCC2)c1C#N ZINC000544066705 435648287 /nfs/dbraw/zinc/64/82/87/435648287.db2.gz FSSCLWDBZNXSJZ-UHFFFAOYSA-N 1 1 306.841 3.592 20 30 DHEDMO C=CC[N@@H+](CC/C=C\c1cncc(OC)c1)CCc1ccco1 ZINC000566169287 332013668 /nfs/dbraw/zinc/01/36/68/332013668.db2.gz BMKOZAAOANMIAG-DAXSKMNVSA-N 1 1 312.413 3.817 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C#N)[C@@H]1CCCc2ccccc21 ZINC000518372042 332018807 /nfs/dbraw/zinc/01/88/07/332018807.db2.gz BVLKIJLJZZLFRY-LJQANCHMSA-N 1 1 306.409 3.946 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc2ccccc2c1 ZINC000569423686 332079933 /nfs/dbraw/zinc/07/99/33/332079933.db2.gz RMKLNTMUSKFWGV-MOPGFXCFSA-N 1 1 311.425 3.620 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000569450123 332088982 /nfs/dbraw/zinc/08/89/82/332088982.db2.gz UQSFVCYEMFRCNS-WFASDCNBSA-N 1 1 303.793 3.587 20 30 DHEDMO C[C@@H]1C[C@@H](CCNc2ccnc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000569484764 332101333 /nfs/dbraw/zinc/10/13/33/332101333.db2.gz FRYKFSQKTOYWAX-SJLPKXTDSA-N 1 1 320.440 3.666 20 30 DHEDMO C[C@@H](Cc1ccsc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000569507296 332112882 /nfs/dbraw/zinc/11/28/82/332112882.db2.gz DFQPIJUGILOOPU-HNNXBMFYSA-N 1 1 314.454 3.699 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H](CC)c2ccc(Cl)cc2)C1=O ZINC000410335227 332113742 /nfs/dbraw/zinc/11/37/42/332113742.db2.gz NIDPDRRLASWQNX-HOTGVXAUSA-N 1 1 306.837 3.510 20 30 DHEDMO C=CCCC[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093533550 332139811 /nfs/dbraw/zinc/13/98/11/332139811.db2.gz FCPYFQOZOWHNLT-UHFFFAOYSA-N 1 1 308.429 3.862 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)s1 ZINC000569591409 332148022 /nfs/dbraw/zinc/14/80/22/332148022.db2.gz VQEARDOJTYRPSV-HNNXBMFYSA-N 1 1 300.431 3.754 20 30 DHEDMO C=CCC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC000427013937 332164790 /nfs/dbraw/zinc/16/47/90/332164790.db2.gz YGCUSELKXAMHHH-MOPGFXCFSA-N 1 1 314.473 3.727 20 30 DHEDMO C=CCCCCC[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000150880172 332197097 /nfs/dbraw/zinc/19/70/97/332197097.db2.gz FPFVVVBUMSSOOZ-UHFFFAOYSA-N 1 1 305.447 3.627 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(CNc2nccc(C)c2C#N)cc1F ZINC000363684692 332221093 /nfs/dbraw/zinc/22/10/93/332221093.db2.gz ZGMQYMNQJWTPGT-UHFFFAOYSA-N 1 1 321.359 3.507 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3cc(F)c(F)cc3F)CC2)c1 ZINC000560072037 332308910 /nfs/dbraw/zinc/30/89/10/332308910.db2.gz VOIAAGIYUDUNRL-UHFFFAOYSA-N 1 1 302.299 3.754 20 30 DHEDMO CCC[N@@H+](Cc1cc(C#N)cs1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000560554267 332359156 /nfs/dbraw/zinc/35/91/56/332359156.db2.gz WXAAUCOQQQNFOQ-XHSDSOJGSA-N 1 1 304.459 3.645 20 30 DHEDMO C=CCC(C)(C)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000293695678 335112282 /nfs/dbraw/zinc/11/22/82/335112282.db2.gz POCQDTFDJXJOBI-UHFFFAOYSA-N 1 1 302.462 3.745 20 30 DHEDMO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(C#N)o1 ZINC000151363143 332573081 /nfs/dbraw/zinc/57/30/81/332573081.db2.gz LLWGETXZSOATGK-UHFFFAOYSA-N 1 1 320.396 3.750 20 30 DHEDMO CC(C)(C)C1=CC[N@@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000533926202 333015466 /nfs/dbraw/zinc/01/54/66/333015466.db2.gz BNCQNXJNEZUNQW-UHFFFAOYSA-N 1 1 317.458 3.627 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc(C(C)(C)C#N)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000171247635 333046558 /nfs/dbraw/zinc/04/65/58/333046558.db2.gz QDOUFLWLKAKOHM-ZNMIVQPWSA-N 1 1 313.445 3.688 20 30 DHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000313845697 333072741 /nfs/dbraw/zinc/07/27/41/333072741.db2.gz FKQMRKGFQDPBPW-GFCCVEGCSA-N 1 1 300.299 3.860 20 30 DHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000313845697 333072743 /nfs/dbraw/zinc/07/27/43/333072743.db2.gz FKQMRKGFQDPBPW-GFCCVEGCSA-N 1 1 300.299 3.860 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000174810161 333090957 /nfs/dbraw/zinc/09/09/57/333090957.db2.gz PFMRNKOMGDKZHF-MRXNPFEDSA-N 1 1 314.429 3.925 20 30 DHEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCCC(C)(C)C#N ZINC000174811169 333091041 /nfs/dbraw/zinc/09/10/41/333091041.db2.gz AHJXYOXTYYRKIA-OAHLLOKOSA-N 1 1 311.433 3.590 20 30 DHEDMO C[N@H+](CCCC(C)(C)C#N)Cc1nc(C(F)(F)F)cs1 ZINC000174971481 333093212 /nfs/dbraw/zinc/09/32/12/333093212.db2.gz SFJUEWPSQSQXAF-UHFFFAOYSA-N 1 1 305.369 3.924 20 30 DHEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1nc(C(F)(F)F)cs1 ZINC000174971481 333093213 /nfs/dbraw/zinc/09/32/13/333093213.db2.gz SFJUEWPSQSQXAF-UHFFFAOYSA-N 1 1 305.369 3.924 20 30 DHEDMO CC(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000114728925 333146511 /nfs/dbraw/zinc/14/65/11/333146511.db2.gz FYKFTHYZYSBCNE-MRXNPFEDSA-N 1 1 313.445 3.645 20 30 DHEDMO CC[C@@H](CC#N)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000184085576 333191908 /nfs/dbraw/zinc/19/19/08/333191908.db2.gz HRCXBYPVICNPOH-HNNXBMFYSA-N 1 1 305.853 3.586 20 30 DHEDMO Cc1cc(C)c(C#N)c(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000309902071 333206745 /nfs/dbraw/zinc/20/67/45/333206745.db2.gz PDUQBOQXNLVGCH-INIZCTEOSA-N 1 1 308.429 3.503 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000497225231 333223943 /nfs/dbraw/zinc/22/39/43/333223943.db2.gz AOIAORQRFJPFIK-UHFFFAOYSA-N 1 1 303.324 3.644 20 30 DHEDMO N#CCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000364054243 333228092 /nfs/dbraw/zinc/22/80/92/333228092.db2.gz IMQKNHGEDNEGIS-PMACEKPBSA-N 1 1 311.473 3.809 20 30 DHEDMO N#CCCCCN1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000364054243 333228093 /nfs/dbraw/zinc/22/80/93/333228093.db2.gz IMQKNHGEDNEGIS-PMACEKPBSA-N 1 1 311.473 3.809 20 30 DHEDMO N#CCCCCN1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000364054243 333228094 /nfs/dbraw/zinc/22/80/94/333228094.db2.gz IMQKNHGEDNEGIS-PMACEKPBSA-N 1 1 311.473 3.809 20 30 DHEDMO N#CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000364054244 333228136 /nfs/dbraw/zinc/22/81/36/333228136.db2.gz IMQKNHGEDNEGIS-UXHICEINSA-N 1 1 311.473 3.809 20 30 DHEDMO N#CCCCCN1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000364054244 333228137 /nfs/dbraw/zinc/22/81/37/333228137.db2.gz IMQKNHGEDNEGIS-UXHICEINSA-N 1 1 311.473 3.809 20 30 DHEDMO N#CCCCCN1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000364054244 333228138 /nfs/dbraw/zinc/22/81/38/333228138.db2.gz IMQKNHGEDNEGIS-UXHICEINSA-N 1 1 311.473 3.809 20 30 DHEDMO C=CCCC[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000294921706 335128838 /nfs/dbraw/zinc/12/88/38/335128838.db2.gz ILLXKBQZFLKQAJ-UHFFFAOYSA-N 1 1 302.462 3.700 20 30 DHEDMO CC[N@@H+](CCOc1ccccc1C#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000497590811 333266493 /nfs/dbraw/zinc/26/64/93/333266493.db2.gz OEHSMLBKVWKZIJ-INIZCTEOSA-N 1 1 319.408 3.892 20 30 DHEDMO COc1cccc([C@@H]2CCC[N@H+]2CCOc2ccccc2C#N)c1 ZINC000497612522 333269804 /nfs/dbraw/zinc/26/98/04/333269804.db2.gz SHPDJTIUGGREEI-IBGZPJMESA-N 1 1 322.408 3.783 20 30 DHEDMO C=CC1CC[NH+]([C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)CC1 ZINC000111257817 333328320 /nfs/dbraw/zinc/32/83/20/333328320.db2.gz IUWHLBOYKYRZRD-LLVKDONJSA-N 1 1 317.458 3.560 20 30 DHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C(C)(C)C ZINC000563080303 333345323 /nfs/dbraw/zinc/34/53/23/333345323.db2.gz CXLZVFNSNDBLFP-ZDUSSCGKSA-N 1 1 319.474 3.750 20 30 DHEDMO COCC[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCCc2cccnc21 ZINC000369007508 333349874 /nfs/dbraw/zinc/34/98/74/333349874.db2.gz FJBQYQPAMHZJGW-QGZVFWFLSA-N 1 1 315.461 3.737 20 30 DHEDMO C=CC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000494706325 333350031 /nfs/dbraw/zinc/35/00/31/333350031.db2.gz DTUTXPGNKXJTEH-WDEREUQCSA-N 1 1 315.244 3.677 20 30 DHEDMO C[N@@H+](CCCCC#N)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160659224 333364896 /nfs/dbraw/zinc/36/48/96/333364896.db2.gz JHTCQUJDHWDEFM-XYPWUTKMSA-N 1 1 321.465 3.543 20 30 DHEDMO C=C[C@](C)(CC)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000188478780 333368101 /nfs/dbraw/zinc/36/81/01/333368101.db2.gz SMSPOEJVEAJYJV-VQIMIIECSA-N 1 1 302.462 3.616 20 30 DHEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000338391078 333486553 /nfs/dbraw/zinc/48/65/53/333486553.db2.gz BZCJNHNAYKIBEE-INIZCTEOSA-N 1 1 306.837 3.581 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2nccn2CC)cc1 ZINC000296587612 335144774 /nfs/dbraw/zinc/14/47/74/335144774.db2.gz UTIATFGFXDNQNG-CQSZACIVSA-N 1 1 319.836 3.885 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000185724900 335147318 /nfs/dbraw/zinc/14/73/18/335147318.db2.gz NIFIXVBCNORNNP-MJGOQNOKSA-N 1 1 314.473 3.569 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N1CCCCC1)c1ccc(F)c(F)c1 ZINC000411551799 333693071 /nfs/dbraw/zinc/69/30/71/333693071.db2.gz OEAYGYBNELOLQM-GUYCJALGSA-N 1 1 322.399 3.573 20 30 DHEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)c(Br)c1 ZINC000451069416 333729967 /nfs/dbraw/zinc/72/99/67/333729967.db2.gz FILLPAAGAUPPKB-JTQLQIEISA-N 1 1 311.198 3.933 20 30 DHEDMO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)ccc1Br ZINC000272558480 334037100 /nfs/dbraw/zinc/03/71/00/334037100.db2.gz SUIHEIBYBWZFPM-UHFFFAOYSA-N 1 1 307.235 3.883 20 30 DHEDMO CC1=C[C@@H](C)C[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000430289433 334073964 /nfs/dbraw/zinc/07/39/64/334073964.db2.gz MQXANTIXRZOHSY-LLVKDONJSA-N 1 1 305.219 3.719 20 30 DHEDMO CC1=C[C@@H](C)C[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000430289433 334073966 /nfs/dbraw/zinc/07/39/66/334073966.db2.gz MQXANTIXRZOHSY-LLVKDONJSA-N 1 1 305.219 3.719 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC(C)(C)C#N)cc1 ZINC000278165099 334093360 /nfs/dbraw/zinc/09/33/60/334093360.db2.gz AJFVACOWNXAFLJ-HNNXBMFYSA-N 1 1 313.445 3.939 20 30 DHEDMO C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000278501224 334096924 /nfs/dbraw/zinc/09/69/24/334096924.db2.gz AGOOQNDFMMESSV-UXHICEINSA-N 1 1 311.473 3.523 20 30 DHEDMO COC(=O)c1coc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000278898717 334103295 /nfs/dbraw/zinc/10/32/95/334103295.db2.gz ZGDCDNKZGSFZAY-CZUORRHYSA-N 1 1 312.369 3.762 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](CC)CC(C)C ZINC000343605509 335176659 /nfs/dbraw/zinc/17/66/59/335176659.db2.gz VZEUOSLCGRRHCK-HNNXBMFYSA-N 1 1 308.491 3.629 20 30 DHEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000281983305 334130135 /nfs/dbraw/zinc/13/01/35/334130135.db2.gz MCNQOSZBIAGWKD-PKOBYXMFSA-N 1 1 312.457 3.965 20 30 DHEDMO CC[C@@](C)(C#N)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000285134500 334145864 /nfs/dbraw/zinc/14/58/64/334145864.db2.gz ODUAXEDYOFFUOY-IBGZPJMESA-N 1 1 324.428 3.933 20 30 DHEDMO C[N@@H+](CCC(C)(C)C#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000285373887 334147291 /nfs/dbraw/zinc/14/72/91/334147291.db2.gz REMZEEZUDKOOCN-UHFFFAOYSA-N 1 1 314.351 3.999 20 30 DHEDMO Cc1noc([C@H]2CCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)n1 ZINC000285541387 334148488 /nfs/dbraw/zinc/14/84/88/334148488.db2.gz FYWGUMIHZWAEJG-MRXNPFEDSA-N 1 1 310.401 3.516 20 30 DHEDMO Cc1noc([C@H]2CCC[N@H+]2Cc2ccccc2C(C)(C)C#N)n1 ZINC000285541387 334148489 /nfs/dbraw/zinc/14/84/89/334148489.db2.gz FYWGUMIHZWAEJG-MRXNPFEDSA-N 1 1 310.401 3.516 20 30 DHEDMO N#CCc1ccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)cc1 ZINC000343616463 335181648 /nfs/dbraw/zinc/18/16/48/335181648.db2.gz RIBVQKKKZQTJPS-NRFANRHFSA-N 1 1 320.436 3.625 20 30 DHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)C3(C#N)CCCC3)cc2)c1C ZINC000291611557 334180196 /nfs/dbraw/zinc/18/01/96/334180196.db2.gz HINLNLYMPAZAOA-UHFFFAOYSA-N 1 1 308.385 3.512 20 30 DHEDMO CC(C)(C)OC(=O)[C@@]12CCC[C@@H]1C[N@@H+](CC(C)(C)CCC#N)C2 ZINC000343671022 335181500 /nfs/dbraw/zinc/18/15/00/335181500.db2.gz DTKYNKJGVIFSIS-DNVCBOLYSA-N 1 1 320.477 3.760 20 30 DHEDMO Cc1c(Cl)cccc1N1CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000294026691 334204870 /nfs/dbraw/zinc/20/48/70/334204870.db2.gz HSVSYGHJXNKBCQ-HZPDHXFCSA-N 1 1 317.864 3.853 20 30 DHEDMO C[N@H+](CCOc1ccccc1C#N)Cc1ccccc1Cl ZINC000048554159 334289739 /nfs/dbraw/zinc/28/97/39/334289739.db2.gz LKHARQOKTFHDQI-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1Cl ZINC000048554159 334289741 /nfs/dbraw/zinc/28/97/41/334289741.db2.gz LKHARQOKTFHDQI-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO CN(C)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000303393289 334322860 /nfs/dbraw/zinc/32/28/60/334322860.db2.gz QBRGZTLJRVONJA-FQEVSTJZSA-N 1 1 319.452 3.751 20 30 DHEDMO CN(C)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000303393289 334322862 /nfs/dbraw/zinc/32/28/62/334322862.db2.gz QBRGZTLJRVONJA-FQEVSTJZSA-N 1 1 319.452 3.751 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000101726971 334350999 /nfs/dbraw/zinc/35/09/99/334350999.db2.gz XYNHGOKMXGYDIC-INIZCTEOSA-N 1 1 321.424 3.970 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000535207950 334380472 /nfs/dbraw/zinc/38/04/72/334380472.db2.gz VPEUMPDGHRNMTK-UHFFFAOYSA-N 1 1 300.402 3.523 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3nccn3-c3ccccc3)CC2)c1 ZINC000341208425 334417286 /nfs/dbraw/zinc/41/72/86/334417286.db2.gz BSQLJOZIIBMCMD-UHFFFAOYSA-N 1 1 314.392 3.523 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3cn4cc(Cl)ccc4n3)CC2)c1 ZINC000341236181 334421131 /nfs/dbraw/zinc/42/11/31/334421131.db2.gz IOZXXBAQAZVGAT-UHFFFAOYSA-N 1 1 322.799 3.638 20 30 DHEDMO C=CCn1c2ccccc2nc1SCCCn1cc[nH+]c1C ZINC000342708095 334567491 /nfs/dbraw/zinc/56/74/91/334567491.db2.gz YQYIRKLMMNHGOM-UHFFFAOYSA-N 1 1 312.442 3.910 20 30 DHEDMO C=CCNC(=O)[C@H](C)[N@H+](CC)Cc1ccc(Cl)c(Cl)c1 ZINC000343652635 335185180 /nfs/dbraw/zinc/18/51/80/335185180.db2.gz TWKYYSZDPWCRIO-NSHDSACASA-N 1 1 315.244 3.506 20 30 DHEDMO C=CCNC(=O)[C@H](C)[N@@H+](CC)Cc1ccc(Cl)c(Cl)c1 ZINC000343652635 335185181 /nfs/dbraw/zinc/18/51/81/335185181.db2.gz TWKYYSZDPWCRIO-NSHDSACASA-N 1 1 315.244 3.506 20 30 DHEDMO C=CCCN(C)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000344296947 335237924 /nfs/dbraw/zinc/23/79/24/335237924.db2.gz XFNGKDKJHNUODA-UHFFFAOYSA-N 1 1 322.452 3.723 20 30 DHEDMO COc1ccc(F)cc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000344338424 335242095 /nfs/dbraw/zinc/24/20/95/335242095.db2.gz PUWCLHMAXMXYBO-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO COc1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1OCC(C)C ZINC000348715549 335604349 /nfs/dbraw/zinc/60/43/49/335604349.db2.gz QFNJSHZQDILNNQ-UHFFFAOYSA-N 1 1 320.408 3.558 20 30 DHEDMO COCC[N@@H+](Cc1cc(C#N)cs1)[C@H](C)c1ccccc1 ZINC000351581232 336047054 /nfs/dbraw/zinc/04/70/54/336047054.db2.gz GVZZTEXHVHPCED-CQSZACIVSA-N 1 1 300.427 3.829 20 30 DHEDMO N#C[C@H](NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000329695343 336052779 /nfs/dbraw/zinc/05/27/79/336052779.db2.gz BJPYIMHVNKPQCD-WSTZPKSXSA-N 1 1 323.440 3.547 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(OC(C)(C)C)n1 ZINC000351699679 336059604 /nfs/dbraw/zinc/05/96/04/336059604.db2.gz CQGOUVASHWBGAF-UHFFFAOYSA-N 1 1 309.413 3.763 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(OC(C)(C)C)n1 ZINC000351699679 336059606 /nfs/dbraw/zinc/05/96/06/336059606.db2.gz CQGOUVASHWBGAF-UHFFFAOYSA-N 1 1 309.413 3.763 20 30 DHEDMO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000351782277 336068902 /nfs/dbraw/zinc/06/89/02/336068902.db2.gz POFPWWGRSXIGFM-GFCCVEGCSA-N 1 1 317.339 3.748 20 30 DHEDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000351782277 336068904 /nfs/dbraw/zinc/06/89/04/336068904.db2.gz POFPWWGRSXIGFM-GFCCVEGCSA-N 1 1 317.339 3.748 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1coc(C2CCCC2)n1 ZINC000329953225 336099259 /nfs/dbraw/zinc/09/92/59/336099259.db2.gz JHICCAHCOIRAGP-ZDUSSCGKSA-N 1 1 305.422 3.511 20 30 DHEDMO C[C@]1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCC[C@@H]1O ZINC000329991724 336103574 /nfs/dbraw/zinc/10/35/74/336103574.db2.gz AECAHJXACXGQSZ-HHXXYDBFSA-N 1 1 322.493 3.539 20 30 DHEDMO O=C(Nc1ccc(O)c(C(F)(F)F)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330218147 336125560 /nfs/dbraw/zinc/12/55/60/336125560.db2.gz JBWOVJWKPPYPDK-LBPRGKRZSA-N 1 1 314.307 3.626 20 30 DHEDMO O=C(Nc1ccc(O)c(C(F)(F)F)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330218147 336125561 /nfs/dbraw/zinc/12/55/61/336125561.db2.gz JBWOVJWKPPYPDK-LBPRGKRZSA-N 1 1 314.307 3.626 20 30 DHEDMO Cc1nc2cc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)ccc2o1 ZINC000330308476 336146483 /nfs/dbraw/zinc/14/64/83/336146483.db2.gz SUPBDUKIAYULKW-CQSZACIVSA-N 1 1 301.390 3.989 20 30 DHEDMO Cc1nc2ccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)cc2o1 ZINC000330312659 336151840 /nfs/dbraw/zinc/15/18/40/336151840.db2.gz WREFUGXTJDKLAB-AWEZNQCLSA-N 1 1 301.390 3.989 20 30 DHEDMO Cc1nc2ccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)cc2o1 ZINC000330312660 336151980 /nfs/dbraw/zinc/15/19/80/336151980.db2.gz WREFUGXTJDKLAB-CQSZACIVSA-N 1 1 301.390 3.989 20 30 DHEDMO C=C(C)CC[NH+](Cc1c(C)noc1C)Cc1c(C)noc1C ZINC000352008006 336188325 /nfs/dbraw/zinc/18/83/25/336188325.db2.gz ZDSHRUMVWDKEGK-UHFFFAOYSA-N 1 1 303.406 3.865 20 30 DHEDMO C[C@H]([NH2+]CCCN(C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000192919250 336197015 /nfs/dbraw/zinc/19/70/15/336197015.db2.gz PCEXGICGJPNMOD-KRWDZBQOSA-N 1 1 307.441 3.731 20 30 DHEDMO C[C@H](NCCC[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000192919250 336197016 /nfs/dbraw/zinc/19/70/16/336197016.db2.gz PCEXGICGJPNMOD-KRWDZBQOSA-N 1 1 307.441 3.731 20 30 DHEDMO C[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000192919250 336197017 /nfs/dbraw/zinc/19/70/17/336197017.db2.gz PCEXGICGJPNMOD-KRWDZBQOSA-N 1 1 307.441 3.731 20 30 DHEDMO CC[C@@]1(C)CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000352611399 336226787 /nfs/dbraw/zinc/22/67/87/336226787.db2.gz HDKUIIDBBPENLP-FQEVSTJZSA-N 1 1 322.456 3.971 20 30 DHEDMO Cn1cc(C[N@@H+](C)Cc2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000352693807 336230747 /nfs/dbraw/zinc/23/07/47/336230747.db2.gz UCIIFTDGSVPQRI-UHFFFAOYSA-N 1 1 322.437 3.652 20 30 DHEDMO N#CCC[C@H](C#N)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000367138512 336287283 /nfs/dbraw/zinc/28/72/83/336287283.db2.gz PYRRQHULJXJDAG-KDOFPFPSSA-N 1 1 317.383 3.992 20 30 DHEDMO C[C@@H](CNc1cccc(F)c1C#N)[N@H+]1CCc2ccccc2C1 ZINC000301094238 336289587 /nfs/dbraw/zinc/28/95/87/336289587.db2.gz NVKIXBYEBHRTFQ-AWEZNQCLSA-N 1 1 309.388 3.556 20 30 DHEDMO CC[C@H](C#N)Oc1cccc(CNc2nc(C)[nH+]c(C)c2C)c1 ZINC000301671015 336322498 /nfs/dbraw/zinc/32/24/98/336322498.db2.gz FLDAAIQBSUNQBQ-MRXNPFEDSA-N 1 1 310.401 3.695 20 30 DHEDMO Cc1ccc(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)nc1C#N ZINC000302607106 336362449 /nfs/dbraw/zinc/36/24/49/336362449.db2.gz DIXZWPHPLDJFGR-INIZCTEOSA-N 1 1 308.429 3.584 20 30 DHEDMO Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1C#N ZINC000302610368 336362588 /nfs/dbraw/zinc/36/25/88/336362588.db2.gz DUIKRAHXMOZCEN-SJLPKXTDSA-N 1 1 320.440 3.727 20 30 DHEDMO C[N@@H+](CCSc1ncc(C#N)cc1Cl)Cc1ccccc1 ZINC000302862568 336372330 /nfs/dbraw/zinc/37/23/30/336372330.db2.gz RHLICRZYBIPLAC-UHFFFAOYSA-N 1 1 317.845 3.831 20 30 DHEDMO CN(CCCCC#N)[C@H]1CCCC[C@H]1[N@@H+](C)CCCCC#N ZINC000352969629 336380185 /nfs/dbraw/zinc/38/01/85/336380185.db2.gz SIPXVGWFPGZVAI-HDICACEKSA-N 1 1 304.482 3.549 20 30 DHEDMO CN(CCCCC#N)[C@@H]1CCCC[C@@H]1[N@H+](C)CCCCC#N ZINC000352969629 336380186 /nfs/dbraw/zinc/38/01/86/336380186.db2.gz SIPXVGWFPGZVAI-HDICACEKSA-N 1 1 304.482 3.549 20 30 DHEDMO CN(CCCCC#N)[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCCC#N ZINC000352969629 336380187 /nfs/dbraw/zinc/38/01/87/336380187.db2.gz SIPXVGWFPGZVAI-HDICACEKSA-N 1 1 304.482 3.549 20 30 DHEDMO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H]3CCC3CCCC3)cnc12 ZINC000582242267 336391283 /nfs/dbraw/zinc/39/12/83/336391283.db2.gz SWOMVCDWRTVTIP-GOSISDBHSA-N 1 1 323.444 3.536 20 30 DHEDMO C#CCCOc1ccc(C[NH2+][C@@H](C)c2csc(CC)n2)cc1 ZINC000113341740 336400636 /nfs/dbraw/zinc/40/06/36/336400636.db2.gz JUUYJLVQNMCIMF-AWEZNQCLSA-N 1 1 314.454 3.958 20 30 DHEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cn3cc(Cl)ccc3n1)CC2 ZINC000353380847 336414188 /nfs/dbraw/zinc/41/41/88/336414188.db2.gz CHWWZFVNZQOEKP-KRWDZBQOSA-N 1 1 322.799 3.636 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000355461263 336510091 /nfs/dbraw/zinc/51/00/91/336510091.db2.gz XSCXLFFSAZJLBU-AEFFLSMTSA-N 1 1 300.446 3.707 20 30 DHEDMO N#Cc1ccc(C[NH+]2CC(c3nc4ccccc4s3)C2)cc1F ZINC000361864836 336776043 /nfs/dbraw/zinc/77/60/43/336776043.db2.gz GBYDRFSHVOAAID-UHFFFAOYSA-N 1 1 323.396 3.906 20 30 DHEDMO C=C[C@@H](C)NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000362627926 336807074 /nfs/dbraw/zinc/80/70/74/336807074.db2.gz PFPSMVRDNBFDHY-CQSZACIVSA-N 1 1 312.417 3.751 20 30 DHEDMO COc1cc(C[NH2+]Cc2ncoc2-c2ccccc2)ccc1C#N ZINC000374149754 336982438 /nfs/dbraw/zinc/98/24/38/336982438.db2.gz UXKZUKMDUVYJIO-UHFFFAOYSA-N 1 1 319.364 3.512 20 30 DHEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](Cc2ccc(C(F)F)cc2)C1 ZINC000375155382 337004716 /nfs/dbraw/zinc/00/47/16/337004716.db2.gz XZSAOPIJHQOGFS-HZPDHXFCSA-N 1 1 317.383 3.932 20 30 DHEDMO Cc1cc(C)n([C@@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000375405212 337010476 /nfs/dbraw/zinc/01/04/76/337010476.db2.gz OIZQETHQCVEWTA-QGZVFWFLSA-N 1 1 302.466 3.857 20 30 DHEDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)ccc1C#N ZINC000375587499 337013930 /nfs/dbraw/zinc/01/39/30/337013930.db2.gz YYLPJJVVFCEKST-KBXCAEBGSA-N 1 1 307.397 3.545 20 30 DHEDMO Cc1cc([C@@H]2CC[N@@H+](CCCC3(C#N)CCOCC3)C2)cs1 ZINC000375611626 337014472 /nfs/dbraw/zinc/01/44/72/337014472.db2.gz KDGAIXWYUVTXPB-MRXNPFEDSA-N 1 1 318.486 3.946 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000122895923 337028173 /nfs/dbraw/zinc/02/81/73/337028173.db2.gz VGHSPLPOGWPVHD-MRXNPFEDSA-N 1 1 313.445 3.667 20 30 DHEDMO CCCCCCCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376930870 337043769 /nfs/dbraw/zinc/04/37/69/337043769.db2.gz LKKKHPKDBOGLOM-SJPCQFCGSA-N 1 1 309.498 3.614 20 30 DHEDMO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000377407964 337052203 /nfs/dbraw/zinc/05/22/03/337052203.db2.gz OCBRVJCKRHHZJM-QGHHPUGFSA-N 1 1 316.763 3.963 20 30 DHEDMO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H]2c2nccs2)cc1 ZINC000377493999 337053589 /nfs/dbraw/zinc/05/35/89/337053589.db2.gz HKFMVVJUVNBSJT-INIZCTEOSA-N 1 1 313.426 3.621 20 30 DHEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@H]2c2nccs2)cc1 ZINC000377493999 337053590 /nfs/dbraw/zinc/05/35/90/337053590.db2.gz HKFMVVJUVNBSJT-INIZCTEOSA-N 1 1 313.426 3.621 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000377565446 337055188 /nfs/dbraw/zinc/05/51/88/337055188.db2.gz KZKUVAXEPZWANH-UWJYYQICSA-N 1 1 320.436 3.993 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000377688778 337058589 /nfs/dbraw/zinc/05/85/89/337058589.db2.gz CYNPWBQUPHCKGN-KXBFYZLASA-N 1 1 307.397 3.710 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000377688777 337058620 /nfs/dbraw/zinc/05/86/20/337058620.db2.gz CYNPWBQUPHCKGN-HNAYVOBHSA-N 1 1 307.397 3.710 20 30 DHEDMO CC[N@@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)C[C@@H](C)C#N ZINC000378337393 337070184 /nfs/dbraw/zinc/07/01/84/337070184.db2.gz VGBAJEHGZKFSIK-ZDUSSCGKSA-N 1 1 308.385 3.804 20 30 DHEDMO CC[N@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)C[C@@H](C)C#N ZINC000378337393 337070185 /nfs/dbraw/zinc/07/01/85/337070185.db2.gz VGBAJEHGZKFSIK-ZDUSSCGKSA-N 1 1 308.385 3.804 20 30 DHEDMO CC[C@@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000378351960 337070773 /nfs/dbraw/zinc/07/07/73/337070773.db2.gz VBNYVMQAXDYERV-GOSISDBHSA-N 1 1 308.429 3.838 20 30 DHEDMO N#Cc1ccc2nc(N3CCC[N@H+](C4CCCC4)CC3)ccc2c1 ZINC000378414973 337072222 /nfs/dbraw/zinc/07/22/22/337072222.db2.gz LJFYQQPCLAYVSO-UHFFFAOYSA-N 1 1 320.440 3.561 20 30 DHEDMO C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000378514689 337074751 /nfs/dbraw/zinc/07/47/51/337074751.db2.gz FIFAXAWZLYTTKA-ORYQWCPZSA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000378514689 337074752 /nfs/dbraw/zinc/07/47/52/337074752.db2.gz FIFAXAWZLYTTKA-ORYQWCPZSA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@H](NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000378514689 337074753 /nfs/dbraw/zinc/07/47/53/337074753.db2.gz FIFAXAWZLYTTKA-ORYQWCPZSA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@H](NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000378514689 337074754 /nfs/dbraw/zinc/07/47/54/337074754.db2.gz FIFAXAWZLYTTKA-ORYQWCPZSA-N 1 1 319.452 3.902 20 30 DHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000320987971 337135563 /nfs/dbraw/zinc/13/55/63/337135563.db2.gz IRUHDQDIRXEKHL-GOSISDBHSA-N 1 1 311.429 3.541 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2cccnc2)s1 ZINC000176962332 337153796 /nfs/dbraw/zinc/15/37/96/337153796.db2.gz LADGIMIHHUXCOH-GOSISDBHSA-N 1 1 305.406 3.894 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc3ccccc3n2)CC1 ZINC000177917386 337158919 /nfs/dbraw/zinc/15/89/19/337158919.db2.gz AIEHPFPYUVOCIN-MRXNPFEDSA-N 1 1 309.457 3.926 20 30 DHEDMO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cn(-c2ccccc2)nn1 ZINC000178053800 337160078 /nfs/dbraw/zinc/16/00/78/337160078.db2.gz QWBVQLMRBYYIRQ-GJZGRUSLSA-N 1 1 317.396 3.551 20 30 DHEDMO Clc1cccc(C#CCN2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000178939009 337166329 /nfs/dbraw/zinc/16/63/29/337166329.db2.gz JFAKPNRNJLZCGY-UHFFFAOYSA-N 1 1 316.876 3.642 20 30 DHEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000179424264 337169403 /nfs/dbraw/zinc/16/94/03/337169403.db2.gz RTHZZKLCZDCPGU-WBVHZDCISA-N 1 1 306.837 3.558 20 30 DHEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000179424264 337169404 /nfs/dbraw/zinc/16/94/04/337169404.db2.gz RTHZZKLCZDCPGU-WBVHZDCISA-N 1 1 306.837 3.558 20 30 DHEDMO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000182318507 337187998 /nfs/dbraw/zinc/18/79/98/337187998.db2.gz JZNYIXGBXOVQMG-CQSZACIVSA-N 1 1 318.380 3.768 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1-n1cccn1 ZINC000183169792 337190199 /nfs/dbraw/zinc/19/01/99/337190199.db2.gz KTPUBMGQSVUAIH-AWEZNQCLSA-N 1 1 320.371 3.734 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCCC2(CC2)C1 ZINC000186999847 337262255 /nfs/dbraw/zinc/26/22/55/337262255.db2.gz VSKAIWWIWYIJAW-HNNXBMFYSA-N 1 1 318.486 3.527 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCCC2(CC2)C1 ZINC000186999866 337262275 /nfs/dbraw/zinc/26/22/75/337262275.db2.gz VSKAIWWIWYIJAW-OAHLLOKOSA-N 1 1 318.486 3.527 20 30 DHEDMO COc1ccc(C[N@H+]2CCCC[C@@H](C)C2)cc1OCCCC#N ZINC000187515178 337266472 /nfs/dbraw/zinc/26/64/72/337266472.db2.gz XJCPSYHCSABGQB-MRXNPFEDSA-N 1 1 316.445 4.000 20 30 DHEDMO CCN(C)c1ccc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000191240559 337295156 /nfs/dbraw/zinc/29/51/56/337295156.db2.gz FTGBBQVUBIOTGK-INIZCTEOSA-N 1 1 322.456 3.992 20 30 DHEDMO C[C@H]1SCC[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H]1c1ccccc1 ZINC000191384133 337296469 /nfs/dbraw/zinc/29/64/69/337296469.db2.gz JRTWUYWRICAFCD-KDOFPFPSSA-N 1 1 311.454 3.575 20 30 DHEDMO COc1ccccc1C[N@H+](Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000191951676 337301440 /nfs/dbraw/zinc/30/14/40/337301440.db2.gz WBOFARMIJWFXNY-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO COc1ccccc1C[N@@H+](Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000191951676 337301441 /nfs/dbraw/zinc/30/14/41/337301441.db2.gz WBOFARMIJWFXNY-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)cc1F ZINC000192059109 337302432 /nfs/dbraw/zinc/30/24/32/337302432.db2.gz VQDYTUCJTBIQKF-HXUWFJFHSA-N 1 1 324.399 3.569 20 30 DHEDMO CC[C@](C)([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(C)cs1 ZINC000192112512 337302972 /nfs/dbraw/zinc/30/29/72/337302972.db2.gz ZWXHHLWWSPMKTH-INIZCTEOSA-N 1 1 303.406 3.877 20 30 DHEDMO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2cccc(C#N)c2)CC1 ZINC000116367460 337392661 /nfs/dbraw/zinc/39/26/61/337392661.db2.gz YEGWYXCLUWPSLU-KRWDZBQOSA-N 1 1 319.452 3.873 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2C[C@@H](C)CCC[C@H]2C)c(C#N)c1C ZINC000426471868 338033237 /nfs/dbraw/zinc/03/32/37/338033237.db2.gz XKSQWHCLZBTLQM-NWDGAFQWSA-N 1 1 319.474 3.686 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1c(C(C)C)nc2sc(C)nn12 ZINC000426559488 338034703 /nfs/dbraw/zinc/03/47/03/338034703.db2.gz YGTCXYHIKHBYHO-CYBMUJFWSA-N 1 1 304.463 3.763 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1c(C(C)C)nc2sc(C)nn12 ZINC000426559488 338034704 /nfs/dbraw/zinc/03/47/04/338034704.db2.gz YGTCXYHIKHBYHO-CYBMUJFWSA-N 1 1 304.463 3.763 20 30 DHEDMO C=CC[C@H](C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000426649905 338037002 /nfs/dbraw/zinc/03/70/02/338037002.db2.gz YWVRTCALSHUGFU-AOIWGVFYSA-N 1 1 314.473 3.583 20 30 DHEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(-n2cccn2)cc1 ZINC000428342921 338048131 /nfs/dbraw/zinc/04/81/31/338048131.db2.gz YXAQLHSRGYGDRQ-CQSZACIVSA-N 1 1 320.371 3.734 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@](CC)(CO)C2)cc1Cl ZINC000428447098 338052042 /nfs/dbraw/zinc/05/20/42/338052042.db2.gz LEITTZLIRNOJTL-GOSISDBHSA-N 1 1 323.864 3.889 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000428782436 338060924 /nfs/dbraw/zinc/06/09/24/338060924.db2.gz UIZZSFWZBKISKA-APWZRJJASA-N 1 1 301.430 3.548 20 30 DHEDMO C[N@H+](CCCOCc1ccccc1)Cc1cccc(F)c1C#N ZINC000428964861 338066850 /nfs/dbraw/zinc/06/68/50/338066850.db2.gz GGSFZUUAEGWRTB-UHFFFAOYSA-N 1 1 312.388 3.736 20 30 DHEDMO C[N@@H+](CCCOCc1ccccc1)Cc1cccc(F)c1C#N ZINC000428964861 338066851 /nfs/dbraw/zinc/06/68/51/338066851.db2.gz GGSFZUUAEGWRTB-UHFFFAOYSA-N 1 1 312.388 3.736 20 30 DHEDMO C=CCN1CC[N@H+](CCCc2ccccc2)C[C@H]1CC(C)C ZINC000429405020 338079705 /nfs/dbraw/zinc/07/97/05/338079705.db2.gz IHCLVAXYMKROLO-HXUWFJFHSA-N 1 1 300.490 3.838 20 30 DHEDMO C=CC[N@H+]1CCN(CCCc2ccccc2)C[C@H]1CC(C)C ZINC000429405020 338079706 /nfs/dbraw/zinc/07/97/06/338079706.db2.gz IHCLVAXYMKROLO-HXUWFJFHSA-N 1 1 300.490 3.838 20 30 DHEDMO C=CC[N@@H+]1CCN(CCCc2ccccc2)C[C@H]1CC(C)C ZINC000429405020 338079707 /nfs/dbraw/zinc/07/97/07/338079707.db2.gz IHCLVAXYMKROLO-HXUWFJFHSA-N 1 1 300.490 3.838 20 30 DHEDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2Br)C1 ZINC000429555704 338083823 /nfs/dbraw/zinc/08/38/23/338083823.db2.gz BLVKERYGMYTYNM-SMDDNHRTSA-N 1 1 307.235 3.941 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000429705352 338087804 /nfs/dbraw/zinc/08/78/04/338087804.db2.gz CZARRTYZCMZJLH-INIZCTEOSA-N 1 1 313.445 3.842 20 30 DHEDMO CCC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@H](C)C(=O)OCC ZINC000429710860 338088021 /nfs/dbraw/zinc/08/80/21/338088021.db2.gz CKXICBPONAQYED-OAHLLOKOSA-N 1 1 316.445 3.651 20 30 DHEDMO CCC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H](C)C(=O)OCC ZINC000429710860 338088022 /nfs/dbraw/zinc/08/80/22/338088022.db2.gz CKXICBPONAQYED-OAHLLOKOSA-N 1 1 316.445 3.651 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000429895550 338091628 /nfs/dbraw/zinc/09/16/28/338091628.db2.gz LWPIAKMUTQLWFB-NVXWUHKLSA-N 1 1 300.446 3.540 20 30 DHEDMO C[C@H](CC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1 ZINC000430157491 338099507 /nfs/dbraw/zinc/09/95/07/338099507.db2.gz QQJCTQUQANFCEQ-APWZRJJASA-N 1 1 321.424 3.600 20 30 DHEDMO CSC[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000430208231 338101423 /nfs/dbraw/zinc/10/14/23/338101423.db2.gz SYCHXVSJNGJZSX-QGZVFWFLSA-N 1 1 318.486 3.944 20 30 DHEDMO CC1=C[C@H](C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000430884041 338117929 /nfs/dbraw/zinc/11/79/29/338117929.db2.gz ULFFKRXFVIRQHP-INIZCTEOSA-N 1 1 320.440 3.862 20 30 DHEDMO Cc1cnc(C2CC[NH+](Cc3cccc(C#N)c3F)CC2)s1 ZINC000433282750 338189254 /nfs/dbraw/zinc/18/92/54/338189254.db2.gz BJVAIXOIAVPNSD-UHFFFAOYSA-N 1 1 315.417 3.842 20 30 DHEDMO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(C)[nH+]c2c(OC)cccc12 ZINC000435593600 338243075 /nfs/dbraw/zinc/24/30/75/338243075.db2.gz RMVCSIMDSRDYLQ-AUUYWEPGSA-N 1 1 312.413 3.945 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)c(OC(F)F)c1 ZINC000437141745 338302536 /nfs/dbraw/zinc/30/25/36/338302536.db2.gz LNHXQOVAHRKQKF-OAHLLOKOSA-N 1 1 306.356 3.924 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000437870307 338323920 /nfs/dbraw/zinc/32/39/20/338323920.db2.gz UFEGQBULIMSDSW-SFHVURJKSA-N 1 1 324.449 3.857 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000437870307 338323921 /nfs/dbraw/zinc/32/39/21/338323921.db2.gz UFEGQBULIMSDSW-SFHVURJKSA-N 1 1 324.449 3.857 20 30 DHEDMO C[C@@H](C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccc(F)cc1 ZINC000438101266 338331681 /nfs/dbraw/zinc/33/16/81/338331681.db2.gz FSQDIONMKWTPML-MGPUTAFESA-N 1 1 324.399 3.874 20 30 DHEDMO C[C@@H](C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccc(F)cc1 ZINC000438101266 338331682 /nfs/dbraw/zinc/33/16/82/338331682.db2.gz FSQDIONMKWTPML-MGPUTAFESA-N 1 1 324.399 3.874 20 30 DHEDMO Clc1ccccc1C#CC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000439281029 338366003 /nfs/dbraw/zinc/36/60/03/338366003.db2.gz FQRAHEZSKVOGCN-GOSISDBHSA-N 1 1 303.833 3.583 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000439879139 338380058 /nfs/dbraw/zinc/38/00/58/338380058.db2.gz NNVXDDNTXPGBQW-LJQANCHMSA-N 1 1 310.828 3.878 20 30 DHEDMO CCC[C@H]1[C@H](C)CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000440763974 338396675 /nfs/dbraw/zinc/39/66/75/338396675.db2.gz UCFOLNDCUQPVPS-WBMJQRKESA-N 1 1 317.433 3.607 20 30 DHEDMO C[C@H]1CCc2nc(C[NH2+]Cc3ccc(C#N)c(F)c3)sc2C1 ZINC000449735154 338649136 /nfs/dbraw/zinc/64/91/36/338649136.db2.gz PUITWPKBOGPGGI-NSHDSACASA-N 1 1 315.417 3.568 20 30 DHEDMO C=CCC1(NC(=O)CCn2cc[nH+]c2C(C)C)CCCCC1 ZINC000456371351 338928110 /nfs/dbraw/zinc/92/81/10/338928110.db2.gz STSRZDCZFZOKSO-UHFFFAOYSA-N 1 1 303.450 3.792 20 30 DHEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459346228 339023432 /nfs/dbraw/zinc/02/34/32/339023432.db2.gz PYOHFTKUUJRBQB-RHSMWYFYSA-N 1 1 321.380 3.844 20 30 DHEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459373655 339025402 /nfs/dbraw/zinc/02/54/02/339025402.db2.gz LEJSINMALNBBMD-YOEHRIQHSA-N 1 1 321.380 3.844 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459559577 339035765 /nfs/dbraw/zinc/03/57/65/339035765.db2.gz LACPZVBLWTUJMI-LIRRHRJNSA-N 1 1 314.429 3.673 20 30 DHEDMO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc(C#N)cc1Cl ZINC000459575169 339036831 /nfs/dbraw/zinc/03/68/31/339036831.db2.gz BHHNMDCILOMKJG-UHFFFAOYSA-N 1 1 316.836 3.603 20 30 DHEDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(C#N)cc1Cl ZINC000459575169 339036832 /nfs/dbraw/zinc/03/68/32/339036832.db2.gz BHHNMDCILOMKJG-UHFFFAOYSA-N 1 1 316.836 3.603 20 30 DHEDMO CN(Cc1ccccc1)CC(C)(C)C[NH2+]CC(C)(C)CC#N ZINC000459737773 339045392 /nfs/dbraw/zinc/04/53/92/339045392.db2.gz WOMWXHDDFJEKMU-UHFFFAOYSA-N 1 1 301.478 3.674 20 30 DHEDMO COc1ccc(C[N@@H+](C)C2CC(C)(C)C2)cc1OCCCC#N ZINC000459746090 339045856 /nfs/dbraw/zinc/04/58/56/339045856.db2.gz YYEBJUSXCVFBIG-UHFFFAOYSA-N 1 1 316.445 3.998 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459810141 339049469 /nfs/dbraw/zinc/04/94/69/339049469.db2.gz PWGXDRWHXSBHAO-UONOGXRCSA-N 1 1 302.418 3.529 20 30 DHEDMO CC#CCC[N@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000462319774 339075736 /nfs/dbraw/zinc/07/57/36/339075736.db2.gz ZXXMIFZHOFXCBP-UHFFFAOYSA-N 1 1 324.390 3.627 20 30 DHEDMO CC#CCCN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000462319774 339075737 /nfs/dbraw/zinc/07/57/37/339075737.db2.gz ZXXMIFZHOFXCBP-UHFFFAOYSA-N 1 1 324.390 3.627 20 30 DHEDMO CC#CCCN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000462319774 339075738 /nfs/dbraw/zinc/07/57/38/339075738.db2.gz ZXXMIFZHOFXCBP-UHFFFAOYSA-N 1 1 324.390 3.627 20 30 DHEDMO N#Cc1cc(F)ccc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000462826593 339092632 /nfs/dbraw/zinc/09/26/32/339092632.db2.gz MHCWREOOHCQGPX-DAXSKMNVSA-N 1 1 321.399 3.533 20 30 DHEDMO Cc1cc(C)c2ncc(C#N)c(N(C)C[C@@H]3CCC[N@@H+](C)C3)c2c1 ZINC000462839426 339093623 /nfs/dbraw/zinc/09/36/23/339093623.db2.gz KAEKYMPBLMTSKI-MRXNPFEDSA-N 1 1 322.456 3.501 20 30 DHEDMO C=CC[N@H+](Cc1cc(Br)cc2c1OCC2)C1CC1 ZINC000463052153 339103134 /nfs/dbraw/zinc/10/31/34/339103134.db2.gz DWZQUWURDGSSQH-UHFFFAOYSA-N 1 1 308.219 3.534 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC000463191618 339108711 /nfs/dbraw/zinc/10/87/11/339108711.db2.gz IZXJLIHVJIWZHP-XCLNPWKQSA-N 1 1 312.457 3.710 20 30 DHEDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000463237583 339111014 /nfs/dbraw/zinc/11/10/14/339111014.db2.gz WQHGABWIFRAYTQ-IBGZPJMESA-N 1 1 306.409 3.570 20 30 DHEDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000464731356 339150344 /nfs/dbraw/zinc/15/03/44/339150344.db2.gz FGJHQBCNTVFNAP-YJBOKZPZSA-N 1 1 313.445 3.787 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000464854314 339158075 /nfs/dbraw/zinc/15/80/75/339158075.db2.gz ONKBZEQCBXEFDB-NVXWUHKLSA-N 1 1 323.358 3.558 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000467696347 339244455 /nfs/dbraw/zinc/24/44/55/339244455.db2.gz UNBAKEAUAITFRR-QZTJIDSGSA-N 1 1 300.446 3.512 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)ccc1F ZINC000468273825 339258563 /nfs/dbraw/zinc/25/85/63/339258563.db2.gz DCBIGMMJCMPITJ-GOSISDBHSA-N 1 1 310.372 3.741 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1cc2ccccc2o1 ZINC000472287629 339369083 /nfs/dbraw/zinc/36/90/83/339369083.db2.gz QPUFNOGPMAIBSY-OAHLLOKOSA-N 1 1 314.429 3.678 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000472287629 339369084 /nfs/dbraw/zinc/36/90/84/339369084.db2.gz QPUFNOGPMAIBSY-OAHLLOKOSA-N 1 1 314.429 3.678 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000499047910 339383271 /nfs/dbraw/zinc/38/32/71/339383271.db2.gz KOOXXQDYFCTAOK-HRCADAONSA-N 1 1 320.502 3.914 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000499047910 339383272 /nfs/dbraw/zinc/38/32/72/339383272.db2.gz KOOXXQDYFCTAOK-HRCADAONSA-N 1 1 320.502 3.914 20 30 DHEDMO C=CCCCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000473893439 339394398 /nfs/dbraw/zinc/39/43/98/339394398.db2.gz IGRXRPVKSNWRQM-MRXNPFEDSA-N 1 1 323.868 3.598 20 30 DHEDMO C=C(C)[C@@H]([NH2+]CC(=O)NC1CCCCC1)c1ccc(F)c(F)c1 ZINC000481578061 339607008 /nfs/dbraw/zinc/60/70/08/339607008.db2.gz BSPRSVKZAWDZCI-GOSISDBHSA-N 1 1 322.399 3.621 20 30 DHEDMO C=C(C)[C@H]([NH2+]CC(=O)N(CCC)CCC)c1ccc(F)c(F)c1 ZINC000481610591 339607599 /nfs/dbraw/zinc/60/75/99/339607599.db2.gz QIZPDVNFWZPNMW-SFHVURJKSA-N 1 1 324.415 3.820 20 30 DHEDMO C=C(C)[C@H]([NH2+]CC(=O)N(CC)CCCC)c1ccc(F)c(F)c1 ZINC000481617853 339607812 /nfs/dbraw/zinc/60/78/12/339607812.db2.gz AAVZOSZJYIYNEJ-SFHVURJKSA-N 1 1 324.415 3.820 20 30 DHEDMO C#C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(F)cc1 ZINC000491808758 339883362 /nfs/dbraw/zinc/88/33/62/339883362.db2.gz WBTDOMHRDQLPBE-FQEVSTJZSA-N 1 1 322.383 3.972 20 30 DHEDMO CC(C)[N@@H+](CCC#N)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496730027 340011452 /nfs/dbraw/zinc/01/14/52/340011452.db2.gz IEDZOPGETJPVCP-CVEARBPZSA-N 1 1 323.481 3.646 20 30 DHEDMO COc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1F ZINC000502530910 340107060 /nfs/dbraw/zinc/10/70/60/340107060.db2.gz SSZYFYUCJTUXIF-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000505016537 340158873 /nfs/dbraw/zinc/15/88/73/340158873.db2.gz ITULSIHCEKYCLA-INIZCTEOSA-N 1 1 315.461 3.611 20 30 DHEDMO Cc1[nH]nc2ncc(C[N@H+](Cc3ccc(C#N)cc3)C(C)C)cc12 ZINC000507151642 340209674 /nfs/dbraw/zinc/20/96/74/340209674.db2.gz ITLQMTQDRKGEHV-UHFFFAOYSA-N 1 1 319.412 3.549 20 30 DHEDMO C[N@H+](Cc1conc1Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000507186948 340211772 /nfs/dbraw/zinc/21/17/72/340211772.db2.gz HWIJUXQHLQKFBA-UHFFFAOYSA-N 1 1 317.392 3.769 20 30 DHEDMO C[N@@H+](Cc1conc1Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000507186948 340211773 /nfs/dbraw/zinc/21/17/73/340211773.db2.gz HWIJUXQHLQKFBA-UHFFFAOYSA-N 1 1 317.392 3.769 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1OCC1CC1 ZINC000507225731 340214519 /nfs/dbraw/zinc/21/45/19/340214519.db2.gz DMKBBLKUYBGISI-UHFFFAOYSA-N 1 1 306.409 3.979 20 30 DHEDMO C[N@@H+](Cc1cnc(-c2ccncc2)s1)Cc1ccc(C#N)cc1 ZINC000507231047 340214783 /nfs/dbraw/zinc/21/47/83/340214783.db2.gz PLNNSVQKUCELNM-UHFFFAOYSA-N 1 1 320.421 3.709 20 30 DHEDMO Cc1sccc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000507494072 340222776 /nfs/dbraw/zinc/22/27/76/340222776.db2.gz WCIOKNHZXJDKNU-UHFFFAOYSA-N 1 1 311.454 3.641 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1F)[C@@H](C)c1ccccc1 ZINC000508530124 340245879 /nfs/dbraw/zinc/24/58/79/340245879.db2.gz FRZFCFMVCWIHBB-HNNXBMFYSA-N 1 1 312.388 3.907 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H](C)c1ccccc1 ZINC000508530124 340245880 /nfs/dbraw/zinc/24/58/80/340245880.db2.gz FRZFCFMVCWIHBB-HNNXBMFYSA-N 1 1 312.388 3.907 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OCCOC)cc1 ZINC000508541844 340246181 /nfs/dbraw/zinc/24/61/81/340246181.db2.gz CKYHLPZUNQCFSI-UHFFFAOYSA-N 1 1 311.425 3.900 20 30 DHEDMO C=CC[N@@H+](Cc1nc2cc(Br)ccc2o1)C1CC1 ZINC000508991198 340257420 /nfs/dbraw/zinc/25/74/20/340257420.db2.gz PEEHYYBDBCDAIR-UHFFFAOYSA-N 1 1 307.191 3.741 20 30 DHEDMO C=CC[N@H+](Cc1nc2cc(Br)ccc2o1)C1CC1 ZINC000508991198 340257421 /nfs/dbraw/zinc/25/74/21/340257421.db2.gz PEEHYYBDBCDAIR-UHFFFAOYSA-N 1 1 307.191 3.741 20 30 DHEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000509392915 340268146 /nfs/dbraw/zinc/26/81/46/340268146.db2.gz MSYRIRXDJZUFCO-QGZVFWFLSA-N 1 1 301.434 3.629 20 30 DHEDMO C=C(C)CN(Cc1ccccc1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000509410814 340268566 /nfs/dbraw/zinc/26/85/66/340268566.db2.gz MAISNGUJBVPXNI-IBGZPJMESA-N 1 1 314.473 3.856 20 30 DHEDMO C=CCCCC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510128242 340289797 /nfs/dbraw/zinc/28/97/97/340289797.db2.gz AWBQPDYVKVIUIJ-IEBWSBKVSA-N 1 1 314.473 3.760 20 30 DHEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000510261408 340294454 /nfs/dbraw/zinc/29/44/54/340294454.db2.gz WHHXHVHCQWJJRL-UHFFFAOYSA-N 1 1 320.742 3.805 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000510261408 340294455 /nfs/dbraw/zinc/29/44/55/340294455.db2.gz WHHXHVHCQWJJRL-UHFFFAOYSA-N 1 1 320.742 3.805 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)c(F)c1 ZINC000510516963 340301542 /nfs/dbraw/zinc/30/15/42/340301542.db2.gz FXDMEOKWWMBOLF-GOSISDBHSA-N 1 1 310.372 3.741 20 30 DHEDMO C=CC[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccc(OC)cc1 ZINC000510645490 340304816 /nfs/dbraw/zinc/30/48/16/340304816.db2.gz FCAVNJOEOKTWAD-UHFFFAOYSA-N 1 1 313.445 3.904 20 30 DHEDMO C=CC[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccc(OC)cc1 ZINC000510645490 340304817 /nfs/dbraw/zinc/30/48/17/340304817.db2.gz FCAVNJOEOKTWAD-UHFFFAOYSA-N 1 1 313.445 3.904 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)C[C@H](C)CC ZINC000303447816 340325865 /nfs/dbraw/zinc/32/58/65/340325865.db2.gz HMVHODDEXQSHTQ-HUUCEWRRSA-N 1 1 308.491 3.629 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000511970270 340344144 /nfs/dbraw/zinc/34/41/44/340344144.db2.gz BYIBCXPGHMFEPF-INIZCTEOSA-N 1 1 306.409 3.979 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1cccc(OC)c1 ZINC000512193509 340351686 /nfs/dbraw/zinc/35/16/86/340351686.db2.gz IDZWTVSAZRNFKD-HNNXBMFYSA-N 1 1 315.413 3.920 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000512246864 340354055 /nfs/dbraw/zinc/35/40/55/340354055.db2.gz VOZYOGVHLYJDFI-INIZCTEOSA-N 1 1 300.446 3.637 20 30 DHEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000512440041 340361982 /nfs/dbraw/zinc/36/19/82/340361982.db2.gz ZMUNSMQBJMPRAY-QAPCUYQASA-N 1 1 305.849 3.707 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000512497344 340364222 /nfs/dbraw/zinc/36/42/22/340364222.db2.gz SWFYUQFCNYWCKV-UHFFFAOYSA-N 1 1 316.332 3.589 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2ccn(-c3ccccc3)n2)cc1 ZINC000512521736 340365443 /nfs/dbraw/zinc/36/54/43/340365443.db2.gz JAVVFAQIYSSEQL-UHFFFAOYSA-N 1 1 319.408 3.727 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2cc(F)c(F)cc2F)cc1 ZINC000512561221 340366964 /nfs/dbraw/zinc/36/69/64/340366964.db2.gz JDYHAEHMIAIZET-UHFFFAOYSA-N 1 1 307.315 3.959 20 30 DHEDMO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512610543 340368897 /nfs/dbraw/zinc/36/88/97/340368897.db2.gz CBDSAEGQAVOHKY-VHKYSDTDSA-N 1 1 323.415 3.793 20 30 DHEDMO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512610543 340368898 /nfs/dbraw/zinc/36/88/98/340368898.db2.gz CBDSAEGQAVOHKY-VHKYSDTDSA-N 1 1 323.415 3.793 20 30 DHEDMO C=C1CC[NH+](CC(=O)N(CC)c2cccc3ccccc32)CC1 ZINC000521252431 340484621 /nfs/dbraw/zinc/48/46/21/340484621.db2.gz JWLJUGPFWRGXIU-UHFFFAOYSA-N 1 1 308.425 3.845 20 30 DHEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000193278868 340575419 /nfs/dbraw/zinc/57/54/19/340575419.db2.gz PCYCHUWEWDPDMQ-QGZVFWFLSA-N 1 1 318.779 3.828 20 30 DHEDMO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(C)cc2)c1C#N ZINC000539229548 340877666 /nfs/dbraw/zinc/87/76/66/340877666.db2.gz KFGRMIKAYSAYKF-CQSZACIVSA-N 1 1 308.381 3.504 20 30 DHEDMO Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC(CC#N)CC2)n1 ZINC000541951354 340991226 /nfs/dbraw/zinc/99/12/26/340991226.db2.gz CFOBMEUORFJCPS-CQSZACIVSA-N 1 1 310.401 3.732 20 30 DHEDMO C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000543208749 341036997 /nfs/dbraw/zinc/03/69/97/341036997.db2.gz UNWCKUPFPCLQIU-FQEVSTJZSA-N 1 1 306.409 3.500 20 30 DHEDMO COc1cc2c(c(C[N@H+](C)Cc3cccc(C#N)c3)c1)O[C@H](C)C2 ZINC000130743878 341040343 /nfs/dbraw/zinc/04/03/43/341040343.db2.gz HPLUPJBRCFIVSR-CQSZACIVSA-N 1 1 322.408 3.522 20 30 DHEDMO COc1cc2c(c(C[N@@H+](C)Cc3cccc(C#N)c3)c1)O[C@H](C)C2 ZINC000130743878 341040344 /nfs/dbraw/zinc/04/03/44/341040344.db2.gz HPLUPJBRCFIVSR-CQSZACIVSA-N 1 1 322.408 3.522 20 30 DHEDMO Cc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000131156367 341063279 /nfs/dbraw/zinc/06/32/79/341063279.db2.gz CNXSVFSZHJAWLR-UHFFFAOYSA-N 1 1 316.408 3.889 20 30 DHEDMO C=CCOc1ccc(C[N@H+](CCO)Cc2ccc(C)cc2)cc1 ZINC000544034117 341067432 /nfs/dbraw/zinc/06/74/32/341067432.db2.gz JXEBKVDUZYKBTB-UHFFFAOYSA-N 1 1 311.425 3.554 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)CCC(=O)Nc1ccccc1C ZINC000072692677 341098992 /nfs/dbraw/zinc/09/89/92/341098992.db2.gz VMXQCWQDWJEXTN-UHFFFAOYSA-N 1 1 315.461 3.976 20 30 DHEDMO COc1ccc(OC)c(C[N@@H+](CC(C)(C)CCC#N)C2CC2)c1 ZINC000133421662 341174966 /nfs/dbraw/zinc/17/49/66/341174966.db2.gz MBXIUFSHFAKLPM-UHFFFAOYSA-N 1 1 316.445 3.998 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000076737663 341213325 /nfs/dbraw/zinc/21/33/25/341213325.db2.gz MFTAQDYRCYFRLO-OAHLLOKOSA-N 1 1 314.429 3.850 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000564329902 341230248 /nfs/dbraw/zinc/23/02/48/341230248.db2.gz FHIQERKUDWALCH-UHFFFAOYSA-N 1 1 323.392 3.625 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000564329902 341230249 /nfs/dbraw/zinc/23/02/49/341230249.db2.gz FHIQERKUDWALCH-UHFFFAOYSA-N 1 1 323.392 3.625 20 30 DHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(C#N)c2)C1 ZINC000135110550 341231313 /nfs/dbraw/zinc/23/13/13/341231313.db2.gz CVKPEHKXNFBCMY-JKSUJKDBSA-N 1 1 304.459 3.673 20 30 DHEDMO C[N@H+](CC(=O)Nc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000135124464 341231728 /nfs/dbraw/zinc/23/17/28/341231728.db2.gz XONXWSHBROSBBZ-UHFFFAOYSA-N 1 1 321.424 3.558 20 30 DHEDMO C[N@@H+](CC(=O)Nc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000135124464 341231729 /nfs/dbraw/zinc/23/17/29/341231729.db2.gz XONXWSHBROSBBZ-UHFFFAOYSA-N 1 1 321.424 3.558 20 30 DHEDMO C=CCOc1cccc(NC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC000548060267 341245157 /nfs/dbraw/zinc/24/51/57/341245157.db2.gz NQYKZLIITRSSDP-UHFFFAOYSA-N 1 1 316.445 3.845 20 30 DHEDMO CC[N@@H+](CCOc1cccc(C#N)c1)[C@@H](C)c1cccc(O)c1 ZINC000080932730 341276886 /nfs/dbraw/zinc/27/68/86/341276886.db2.gz DMEOTYXZMLXIRR-HNNXBMFYSA-N 1 1 310.397 3.726 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246567721 341353748 /nfs/dbraw/zinc/35/37/48/341353748.db2.gz RRDSTJZACLFKGI-JXFKEZNVSA-N 1 1 306.409 3.867 20 30 DHEDMO CC(C)[C@@H]1[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1(C)C ZINC000552072104 341367579 /nfs/dbraw/zinc/36/75/79/341367579.db2.gz VOYUKTKSPMHDBW-IBGZPJMESA-N 1 1 322.456 3.825 20 30 DHEDMO C[N@@H+](CCOc1cccc(Cl)c1)Cc1ccc(C#N)cc1 ZINC000248038328 341372513 /nfs/dbraw/zinc/37/25/13/341372513.db2.gz KAZPNFBSUBOKAA-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000249288956 341396143 /nfs/dbraw/zinc/39/61/43/341396143.db2.gz QHJBMBHREWTWDT-IERDGZPVSA-N 1 1 318.420 3.793 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2nc3ccccc3n2C2CC2)cc1F ZINC000421348530 518196515 /nfs/dbraw/zinc/19/65/15/518196515.db2.gz WEQOHZOQOOZIRM-UHFFFAOYSA-N 1 1 320.371 3.672 20 30 DHEDMO CCCO[C@@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)CC1 ZINC000156305876 520271881 /nfs/dbraw/zinc/27/18/81/520271881.db2.gz VXCDLYZWPOUNIY-GOSISDBHSA-N 1 1 316.445 3.608 20 30 DHEDMO CCOc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1O ZINC000180029303 521333905 /nfs/dbraw/zinc/33/39/05/521333905.db2.gz RBICNAJFHWECLB-UHFFFAOYSA-N 1 1 322.408 3.827 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)o1 ZINC000130800217 523021817 /nfs/dbraw/zinc/02/18/17/523021817.db2.gz RMMXCYZHZSTNOL-QGZVFWFLSA-N 1 1 314.360 3.774 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)o1 ZINC000130800217 523021822 /nfs/dbraw/zinc/02/18/22/523021822.db2.gz RMMXCYZHZSTNOL-QGZVFWFLSA-N 1 1 314.360 3.774 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccncc1F ZINC000338366795 525518787 /nfs/dbraw/zinc/51/87/87/525518787.db2.gz IYIVYYGGCKSLBM-SNVBAGLBSA-N 1 1 321.302 3.545 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338333007 526037628 /nfs/dbraw/zinc/03/76/28/526037628.db2.gz OKXNYPSSZYIVHL-LAUBAEHRSA-N 1 1 320.436 3.645 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338333006 526044327 /nfs/dbraw/zinc/04/43/27/526044327.db2.gz OKXNYPSSZYIVHL-DYESRHJHSA-N 1 1 320.436 3.645 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000364794934 526068192 /nfs/dbraw/zinc/06/81/92/526068192.db2.gz SZWUORZNRPWQFF-AWEZNQCLSA-N 1 1 307.372 3.943 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc3c[nH]nc3c2)C2CC2)cc1 ZINC000180028928 526610006 /nfs/dbraw/zinc/61/00/06/526610006.db2.gz MWRWWIZBHZMMAR-UHFFFAOYSA-N 1 1 302.381 3.599 20 30 DHEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(C#N)ccc1F)CCC2 ZINC000264729613 527107208 /nfs/dbraw/zinc/10/72/08/527107208.db2.gz PKYUBVLERNHAMM-INIZCTEOSA-N 1 1 315.417 3.972 20 30 DHEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(C#N)ccc1F)CCC2 ZINC000264729613 527107214 /nfs/dbraw/zinc/10/72/14/527107214.db2.gz PKYUBVLERNHAMM-INIZCTEOSA-N 1 1 315.417 3.972 20 30 DHEDMO CCS[C@@H]1CCCC[N@@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000340196140 535704264 /nfs/dbraw/zinc/70/42/64/535704264.db2.gz WOYDPWXWRTYNDZ-MRXNPFEDSA-N 1 1 304.459 3.674 20 30 DHEDMO C=CC[NH+]1CCN(c2nc(Cl)cc3cccc(C)c32)CC1 ZINC001165034103 721872988 /nfs/dbraw/zinc/87/29/88/721872988.db2.gz FEJLUTIUKYGDJF-UHFFFAOYSA-N 1 1 301.821 3.505 20 30 DHEDMO C=CC[NH+]1CCN(c2ccc3c(Cl)ccc(Cl)c3n2)CC1 ZINC001165035937 721873011 /nfs/dbraw/zinc/87/30/11/721873011.db2.gz YLJPFTVPIDQJCK-UHFFFAOYSA-N 1 1 322.239 3.850 20 30 DHEDMO C=C[C@@H](CC)CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000931171414 1032058569 /nfs/dbraw/zinc/05/85/69/1032058569.db2.gz ICTRCNLXCRNJDA-HNNXBMFYSA-N 1 1 318.486 3.776 20 30 DHEDMO C=CCOc1ccc(CNC[C@@H]2CCCC[N@H+]2CC)cc1Cl ZINC000517710848 1013053885 /nfs/dbraw/zinc/05/38/85/1013053885.db2.gz BUXGUESCOHOYEG-INIZCTEOSA-N 1 1 322.880 3.869 20 30 DHEDMO C=CCOc1ccc(CNC[C@@H]2CCCC[N@@H+]2CC)cc1Cl ZINC000517710848 1013053899 /nfs/dbraw/zinc/05/38/99/1013053899.db2.gz BUXGUESCOHOYEG-INIZCTEOSA-N 1 1 322.880 3.869 20 30 DHEDMO Cc1c[nH+]ccc1OC1CCN(c2ccc(C#N)cc2C)CC1 ZINC000846750840 1032062754 /nfs/dbraw/zinc/06/27/54/1032062754.db2.gz WIOCJEAQQPKEET-UHFFFAOYSA-N 1 1 307.397 3.618 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000187235004 1013143669 /nfs/dbraw/zinc/14/36/69/1013143669.db2.gz UROBZFABCSJJRW-GOSISDBHSA-N 1 1 311.816 3.898 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000187235004 1013143678 /nfs/dbraw/zinc/14/36/78/1013143678.db2.gz UROBZFABCSJJRW-GOSISDBHSA-N 1 1 311.816 3.898 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2CCCC(C)(C)CC2)c(C#N)c1C ZINC000426446968 1013232850 /nfs/dbraw/zinc/23/28/50/1013232850.db2.gz FGYKSKKMYLPPFY-UHFFFAOYSA-N 1 1 319.474 3.687 20 30 DHEDMO C=CCCCCCC[N@H+]1CC[C@H](N2Cc3ccccc3C2=O)C1 ZINC001209441116 1013288084 /nfs/dbraw/zinc/28/80/84/1013288084.db2.gz SMWMGZMZGBUBHK-SFHVURJKSA-N 1 1 312.457 3.853 20 30 DHEDMO C=CCCCCCCCC[N@H+]1Cc2cn(C)nc2[C@H](COC)C1 ZINC001209442326 1013292772 /nfs/dbraw/zinc/29/27/72/1013292772.db2.gz FRYIYHKSFHESFF-SFHVURJKSA-N 1 1 319.493 3.882 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(F)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC001167216960 1013405907 /nfs/dbraw/zinc/40/59/07/1013405907.db2.gz CGTZAMDHNNEKCL-LJQANCHMSA-N 1 1 312.388 3.641 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(F)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC001167216959 1013406663 /nfs/dbraw/zinc/40/66/63/1013406663.db2.gz CGTZAMDHNNEKCL-IBGZPJMESA-N 1 1 312.388 3.641 20 30 DHEDMO CC(C)n1cc(C2=CCC[N@H+]([C@@H](C)CC(C)(C)C#N)CC2)nn1 ZINC000894710115 1013464900 /nfs/dbraw/zinc/46/49/00/1013464900.db2.gz ALPYNWSSEDJBLU-HNNXBMFYSA-N 1 1 315.465 3.667 20 30 DHEDMO CC(C)[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000519918306 1013625219 /nfs/dbraw/zinc/62/52/19/1013625219.db2.gz LKCXQCQHAKWTPT-UHFFFAOYSA-N 1 1 312.388 3.987 20 30 DHEDMO COc1ccc([C@H](C)[N@@H+](C)CCOc2ccc(C#N)cc2)cc1 ZINC000484599415 1013658201 /nfs/dbraw/zinc/65/82/01/1013658201.db2.gz OVKPJAAVNKRWTK-HNNXBMFYSA-N 1 1 310.397 3.639 20 30 DHEDMO C=CCNC(=O)C[N@H+](Cc1ccccc1)[C@H](C)c1cccs1 ZINC000520169802 1013666833 /nfs/dbraw/zinc/66/68/33/1013666833.db2.gz JPPLKSWGPBFGBF-OAHLLOKOSA-N 1 1 314.454 3.614 20 30 DHEDMO C=CCNC(=O)C[N@@H+](Cc1ccccc1)[C@H](C)c1cccs1 ZINC000520169802 1013666838 /nfs/dbraw/zinc/66/68/38/1013666838.db2.gz JPPLKSWGPBFGBF-OAHLLOKOSA-N 1 1 314.454 3.614 20 30 DHEDMO CC[C@@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000578712864 1013685159 /nfs/dbraw/zinc/68/51/59/1013685159.db2.gz NAUZLOOKYQWGOM-MSOLQXFVSA-N 1 1 301.478 3.965 20 30 DHEDMO N#Cc1ccc(CNCC[NH+]2CCC3(CCCCC3)CC2)s1 ZINC000441345475 1013722342 /nfs/dbraw/zinc/72/23/42/1013722342.db2.gz GSABWJASAPYHCK-UHFFFAOYSA-N 1 1 317.502 3.756 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000150903562 1013759497 /nfs/dbraw/zinc/75/94/97/1013759497.db2.gz XLBNTCOCVIVXEK-UHFFFAOYSA-N 1 1 320.389 3.640 20 30 DHEDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1coc(C2CCCC2)n1 ZINC000328715948 1013794615 /nfs/dbraw/zinc/79/46/15/1013794615.db2.gz DPJNEFMMBCGQFS-CQSZACIVSA-N 1 1 317.433 3.654 20 30 DHEDMO CC(C)c1nnc(NC(=O)C[N@@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)s1 ZINC000328804856 1013796887 /nfs/dbraw/zinc/79/68/87/1013796887.db2.gz HLYAQJOXZGAOFF-RYUDHWBXSA-N 1 1 322.478 3.760 20 30 DHEDMO CC(C)c1nnc(NC(=O)C[N@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)s1 ZINC000328804856 1013796890 /nfs/dbraw/zinc/79/68/90/1013796890.db2.gz HLYAQJOXZGAOFF-RYUDHWBXSA-N 1 1 322.478 3.760 20 30 DHEDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000328877562 1013804111 /nfs/dbraw/zinc/80/41/11/1013804111.db2.gz KPELFRZKVVXYSU-CYBMUJFWSA-N 1 1 319.449 3.767 20 30 DHEDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC000328877562 1013804126 /nfs/dbraw/zinc/80/41/26/1013804126.db2.gz KPELFRZKVVXYSU-CYBMUJFWSA-N 1 1 319.449 3.767 20 30 DHEDMO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000328929603 1013808039 /nfs/dbraw/zinc/80/80/39/1013808039.db2.gz YQYMVGHHBLQNOW-NVXWUHKLSA-N 1 1 324.428 3.723 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)CCOC(C)C ZINC000349246166 1013810481 /nfs/dbraw/zinc/81/04/81/1013810481.db2.gz WLHBKGYCIQYCAO-CYBMUJFWSA-N 1 1 317.882 3.566 20 30 DHEDMO CCc1noc(C)c1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000330708928 1013834375 /nfs/dbraw/zinc/83/43/75/1013834375.db2.gz VWUPOKJOFIEDOR-AWEZNQCLSA-N 1 1 321.465 3.751 20 30 DHEDMO C[C@@H]1CCC[C@H](C[N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC001167318624 1013835154 /nfs/dbraw/zinc/83/51/54/1013835154.db2.gz OZBYVZJYZOAPJI-MSOLQXFVSA-N 1 1 311.473 3.897 20 30 DHEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(F)c(C#N)c2)C1 ZINC000330941338 1013847478 /nfs/dbraw/zinc/84/74/78/1013847478.db2.gz DCDUHUDODXKMEV-CYBMUJFWSA-N 1 1 317.408 3.512 20 30 DHEDMO C=CCCO[C@@H](C)c1nc(CCCCn2c[nH+]c(C)c2C)no1 ZINC000656036965 1013940804 /nfs/dbraw/zinc/94/08/04/1013940804.db2.gz PIANXLPBEDSTML-HNNXBMFYSA-N 1 1 318.421 3.560 20 30 DHEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc2ccccc2c(=O)[nH]1 ZINC000610343469 1013952326 /nfs/dbraw/zinc/95/23/26/1013952326.db2.gz IMQJCLSHNGUVEW-QWHCGFSZSA-N 1 1 318.380 3.619 20 30 DHEDMO CC[NH+](CC)[C@@H](CNCc1cc(C#N)cs1)c1ccccc1 ZINC000177680173 1013962056 /nfs/dbraw/zinc/96/20/56/1013962056.db2.gz WMQKKIISANFNRW-SFHVURJKSA-N 1 1 313.470 3.792 20 30 DHEDMO N#Cc1csc(C[NH2+][C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000177682990 1013977416 /nfs/dbraw/zinc/97/74/16/1013977416.db2.gz DVQXTSTYFCJQMI-SFHVURJKSA-N 1 1 311.454 3.546 20 30 DHEDMO CC1(C)[C@H](c2cccc(F)c2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC000931257513 1032081256 /nfs/dbraw/zinc/08/12/56/1032081256.db2.gz RBERFEAZHKYVEO-SFHVURJKSA-N 1 1 309.388 3.860 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1cc(C)cc(Br)c1O)C(C)(C)C ZINC000809780968 1026621919 /nfs/dbraw/zinc/62/19/19/1026621919.db2.gz CIGXEJXSLUCHEA-CYBMUJFWSA-N 1 1 310.235 3.601 20 30 DHEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CC[C@H](O)CC1 ZINC000275916121 1014212800 /nfs/dbraw/zinc/21/28/00/1014212800.db2.gz YJOMNKXUXIZDKN-MXVIHJGJSA-N 1 1 320.436 3.961 20 30 DHEDMO COC(=O)[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)[C@@H]2CCC[C@H]21 ZINC000931262764 1032086128 /nfs/dbraw/zinc/08/61/28/1032086128.db2.gz IIBSMJXIEAHNDB-GVDBMIGSSA-N 1 1 318.461 3.514 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cccc2cc[nH]c21 ZINC000580637957 1014263130 /nfs/dbraw/zinc/26/31/30/1014263130.db2.gz MAVOAPMSCFGRKS-UHFFFAOYSA-N 1 1 319.408 3.688 20 30 DHEDMO N#CC1(C[NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)CCCCC1 ZINC001203155702 1014290609 /nfs/dbraw/zinc/29/06/09/1014290609.db2.gz DSGNDLCTABTYRF-UHFFFAOYSA-N 1 1 313.376 3.643 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]2CCCC[C@@H]12 ZINC000248420344 1014335231 /nfs/dbraw/zinc/33/52/31/1014335231.db2.gz LSRKWEHFTWTSTQ-COXVUDFISA-N 1 1 322.412 3.619 20 30 DHEDMO COc1ccccc1C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001203438611 1014435273 /nfs/dbraw/zinc/43/52/73/1014435273.db2.gz MHHDUESMMXZALI-IBGZPJMESA-N 1 1 322.408 3.610 20 30 DHEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)c(OC)c1 ZINC000177860522 1014469039 /nfs/dbraw/zinc/46/90/39/1014469039.db2.gz PEYOUCWYXYNNDC-GFCCVEGCSA-N 1 1 314.360 3.565 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@](C)(c3ccccc3)CC2)cc1C#N ZINC000581064857 1014537310 /nfs/dbraw/zinc/53/73/10/1014537310.db2.gz XNKFHCCASNPTET-FQEVSTJZSA-N 1 1 307.441 3.841 20 30 DHEDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccc(C)c(C#N)c3)C2)n1 ZINC000933124835 1014659018 /nfs/dbraw/zinc/65/90/18/1014659018.db2.gz HCYLOMPYKDIIHF-INIZCTEOSA-N 1 1 311.454 3.696 20 30 DHEDMO Cc1cc2c(cc1Br)C[N@@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000933127734 1014675350 /nfs/dbraw/zinc/67/53/50/1014675350.db2.gz HZSKBSODCXGSOP-SWLSCSKDSA-N 1 1 319.246 3.808 20 30 DHEDMO Cc1cc2c(cc1Br)C[N@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000933127734 1014675356 /nfs/dbraw/zinc/67/53/56/1014675356.db2.gz HZSKBSODCXGSOP-SWLSCSKDSA-N 1 1 319.246 3.808 20 30 DHEDMO C=CCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000521341423 1014691086 /nfs/dbraw/zinc/69/10/86/1014691086.db2.gz YDVGQGXKLQLTNT-KRWDZBQOSA-N 1 1 320.864 3.777 20 30 DHEDMO C=C(Br)C[NH2+]Cc1cscc1Br ZINC000307994589 1014713283 /nfs/dbraw/zinc/71/32/83/1014713283.db2.gz AKMZRRHBJDCPMX-UHFFFAOYSA-N 1 1 311.042 3.509 20 30 DHEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C#N)c(OC)c2)cc1 ZINC000442795222 1014735968 /nfs/dbraw/zinc/73/59/68/1014735968.db2.gz DSWSXYPDPUGJQB-AWEZNQCLSA-N 1 1 310.397 3.768 20 30 DHEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)c(OC)c1 ZINC000442797407 1014738166 /nfs/dbraw/zinc/73/81/66/1014738166.db2.gz HUCUJQVMQXYBBJ-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO COc1cc(C[N@@H+](C)CCc2ccc(Cl)cc2)ccc1C#N ZINC000442831680 1014745153 /nfs/dbraw/zinc/74/51/53/1014745153.db2.gz WQYIOPIGSOLVOI-UHFFFAOYSA-N 1 1 314.816 3.895 20 30 DHEDMO COc1cc(C[N@H+]2Cc3ccccc3C3(CC3)C2)ccc1C#N ZINC000442833762 1014747049 /nfs/dbraw/zinc/74/70/49/1014747049.db2.gz IHEOXJFPFNKCLT-UHFFFAOYSA-N 1 1 304.393 3.614 20 30 DHEDMO COc1cc(C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)ccc1C#N ZINC000442883021 1014760619 /nfs/dbraw/zinc/76/06/19/1014760619.db2.gz GHLRGPYKDZJIDC-BEFAXECRSA-N 1 1 306.409 3.945 20 30 DHEDMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cccn2C)cc1C#N ZINC000135116466 1014763927 /nfs/dbraw/zinc/76/39/27/1014763927.db2.gz LLGNMQWNTIXLTA-GOSISDBHSA-N 1 1 309.413 3.633 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000442892830 1014766054 /nfs/dbraw/zinc/76/60/54/1014766054.db2.gz FUEBHCWOIQMSHM-UTKZUKDTSA-N 1 1 320.436 3.953 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000442892830 1014766066 /nfs/dbraw/zinc/76/60/66/1014766066.db2.gz FUEBHCWOIQMSHM-UTKZUKDTSA-N 1 1 320.436 3.953 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2cccc3[nH]ccc32)ccc1C#N ZINC000443063432 1014798083 /nfs/dbraw/zinc/79/80/83/1014798083.db2.gz ANEFRPUNUSAUFF-UHFFFAOYSA-N 1 1 305.381 3.680 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)ccc1OC ZINC000443071424 1014801177 /nfs/dbraw/zinc/80/11/77/1014801177.db2.gz SMJJCUYQYFIIPI-DOTOQJQBSA-N 1 1 319.445 3.649 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1cc(C(=O)OC)ccc1OC ZINC001167461208 1014845606 /nfs/dbraw/zinc/84/56/06/1014845606.db2.gz BRONGEPHFWYBGN-UHFFFAOYSA-N 1 1 305.418 3.660 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H](C)CC)cc1 ZINC001167461466 1014842852 /nfs/dbraw/zinc/84/28/52/1014842852.db2.gz JNEHUNHXHVFKQK-QFBILLFUSA-N 1 1 312.457 3.897 20 30 DHEDMO Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(C#N)n1 ZINC000308275329 1014980763 /nfs/dbraw/zinc/98/07/63/1014980763.db2.gz FJMSOZZHCCBPGZ-WMZOPIPTSA-N 1 1 320.440 3.727 20 30 DHEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(C#N)c1 ZINC001167472772 1015026111 /nfs/dbraw/zinc/02/61/11/1015026111.db2.gz CZXBUWCPUHXCES-CQSZACIVSA-N 1 1 314.816 3.595 20 30 DHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)C1(C)C ZINC001167473068 1015034793 /nfs/dbraw/zinc/03/47/93/1015034793.db2.gz FTJDIMTZOAHRIK-HZPDHXFCSA-N 1 1 306.837 3.847 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000474149397 1015108506 /nfs/dbraw/zinc/10/85/06/1015108506.db2.gz BBIPVJNRONKBFT-XYJFISCASA-N 1 1 320.864 3.804 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000474149397 1015108512 /nfs/dbraw/zinc/10/85/12/1015108512.db2.gz BBIPVJNRONKBFT-XYJFISCASA-N 1 1 320.864 3.804 20 30 DHEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000665391854 1015171976 /nfs/dbraw/zinc/17/19/76/1015171976.db2.gz LPMDRQBKKMHXRR-MHORFTMASA-N 1 1 321.509 3.636 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2cccc3[nH]c(=O)oc32)C2CC2)cc1 ZINC000891596112 1015434220 /nfs/dbraw/zinc/43/42/20/1015434220.db2.gz LPMACTFCPHETIV-UHFFFAOYSA-N 1 1 319.364 3.570 20 30 DHEDMO C=C1CCC(c2nc(-c3ccc(-n4cc[nH+]c4C)nc3)no2)CC1 ZINC000896067249 1015435774 /nfs/dbraw/zinc/43/57/74/1015435774.db2.gz QQLWBWRVXNWNJC-UHFFFAOYSA-N 1 1 321.384 3.840 20 30 DHEDMO CC(C)[N@@H+](Cc1cnn(C)c1C1CC1)Cc1ccc(C#N)cc1 ZINC000891624453 1015462590 /nfs/dbraw/zinc/46/25/90/1015462590.db2.gz BIXUECCUKISVTR-UHFFFAOYSA-N 1 1 308.429 3.580 20 30 DHEDMO C[N@H+](CCC#N)CCCCOc1cccc(C(F)(F)F)c1 ZINC000083218813 1015472168 /nfs/dbraw/zinc/47/21/68/1015472168.db2.gz UPVZHPQOAGCECM-UHFFFAOYSA-N 1 1 300.324 3.710 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC)[C@H](C)c1cccc(OC)c1 ZINC000054340035 1015488612 /nfs/dbraw/zinc/48/86/12/1015488612.db2.gz WMUDWTNYRYPRQJ-MRXNPFEDSA-N 1 1 318.461 3.503 20 30 DHEDMO C=C1CCC(C(=O)N2CCC(C[N@H+](C)CCCC)CC2)CC1 ZINC000896422490 1015580950 /nfs/dbraw/zinc/58/09/50/1015580950.db2.gz VMSAVBSGNLYPCH-UHFFFAOYSA-N 1 1 306.494 3.703 20 30 DHEDMO N#Cc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001141893868 1015594170 /nfs/dbraw/zinc/59/41/70/1015594170.db2.gz CFQXYKCUWVSYLH-OKILXGFUSA-N 1 1 319.246 3.943 20 30 DHEDMO C=CCCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474824947 1015622599 /nfs/dbraw/zinc/62/25/99/1015622599.db2.gz XOEINHFIFJDEGL-SFHVURJKSA-N 1 1 318.436 3.605 20 30 DHEDMO C=CCCCN(C)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474824947 1015622606 /nfs/dbraw/zinc/62/26/06/1015622606.db2.gz XOEINHFIFJDEGL-SFHVURJKSA-N 1 1 318.436 3.605 20 30 DHEDMO CCSCC[C@@H](C)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000477762433 1015634442 /nfs/dbraw/zinc/63/44/42/1015634442.db2.gz VMLWFMZUULGDCW-OAHLLOKOSA-N 1 1 306.475 3.791 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000891823302 1015657042 /nfs/dbraw/zinc/65/70/42/1015657042.db2.gz PEBLBPCFIBEEKB-HZPDHXFCSA-N 1 1 317.502 3.706 20 30 DHEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000933773057 1015662340 /nfs/dbraw/zinc/66/23/40/1015662340.db2.gz AUTZWFPRJKZGKE-HNNXBMFYSA-N 1 1 324.808 3.578 20 30 DHEDMO COC[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000610615488 1015670530 /nfs/dbraw/zinc/67/05/30/1015670530.db2.gz GSDMISOXJJJVAJ-IBGZPJMESA-N 1 1 306.409 3.836 20 30 DHEDMO Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000896801713 1015750938 /nfs/dbraw/zinc/75/09/38/1015750938.db2.gz QHVQUUCAEDZNPX-LLVKDONJSA-N 1 1 303.768 3.905 20 30 DHEDMO CSc1nc(C[N@H+]2CC[C@@H](c3ccccc3)C2)ccc1C#N ZINC001141929437 1015770816 /nfs/dbraw/zinc/77/08/16/1015770816.db2.gz VUYVWEOKAXVUON-MRXNPFEDSA-N 1 1 309.438 3.665 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2)cc1C#N ZINC000087833210 1015777504 /nfs/dbraw/zinc/77/75/04/1015777504.db2.gz KIQNYGLMCAGPSX-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2cccc(Cl)c2)cc1C#N ZINC000087833208 1015778615 /nfs/dbraw/zinc/77/86/15/1015778615.db2.gz WSSZHWIKWOKLAK-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO CCCOc1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1OCC ZINC000348709336 1015782219 /nfs/dbraw/zinc/78/22/19/1015782219.db2.gz MGKURUXHFQMEDV-UHFFFAOYSA-N 1 1 320.408 3.702 20 30 DHEDMO C=C1CC(c2noc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)C1 ZINC000896881067 1015796531 /nfs/dbraw/zinc/79/65/31/1015796531.db2.gz BSTNBBXGPSUWPZ-INIZCTEOSA-N 1 1 309.413 3.883 20 30 DHEDMO COc1ccc(C[N@H+](CCC#N)C(C)C)cc1OCC(C)C ZINC000535786255 1015823679 /nfs/dbraw/zinc/82/36/79/1015823679.db2.gz KHCOZHLHZGHWAO-UHFFFAOYSA-N 1 1 304.434 3.854 20 30 DHEDMO COc1ccc(C[N@@H+](CCC#N)C(C)C)cc1OCC(C)C ZINC000535786255 1015823689 /nfs/dbraw/zinc/82/36/89/1015823689.db2.gz KHCOZHLHZGHWAO-UHFFFAOYSA-N 1 1 304.434 3.854 20 30 DHEDMO CCCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001173309369 1033664024 /nfs/dbraw/zinc/66/40/24/1033664024.db2.gz HEJJCHAGLUGVMN-IPMKNSEASA-N 1 1 313.526 3.971 20 30 DHEDMO CC[C@H](c1ccc(F)cc1F)[NH+]1CCC(C#N)(COC)CC1 ZINC000341981236 1015862011 /nfs/dbraw/zinc/86/20/11/1015862011.db2.gz BNDKWZFRHQQVNS-MRXNPFEDSA-N 1 1 308.372 3.668 20 30 DHEDMO C=C[C@@H](CC)CC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001126789678 1032130499 /nfs/dbraw/zinc/13/04/99/1032130499.db2.gz ACYLAKGXPDUXCC-SJORKVTESA-N 1 1 302.462 3.616 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000341986754 1015863788 /nfs/dbraw/zinc/86/37/88/1015863788.db2.gz FNNPYYWTBKPHOS-UHFFFAOYSA-N 1 1 304.393 3.856 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000610859425 1015895316 /nfs/dbraw/zinc/89/53/16/1015895316.db2.gz IGUVHHZRDJDIBE-KRWDZBQOSA-N 1 1 308.429 3.521 20 30 DHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@H]1CC[C@@H](CC)C1)CCO2 ZINC001173282435 1033674378 /nfs/dbraw/zinc/67/43/78/1033674378.db2.gz YNHVENMXTQUTLK-AKHDSKFASA-N 1 1 307.478 3.639 20 30 DHEDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(OC)c(C#N)c1 ZINC000610991809 1015990644 /nfs/dbraw/zinc/99/06/44/1015990644.db2.gz SJZHODIAMUMFFR-UHFFFAOYSA-N 1 1 324.424 3.988 20 30 DHEDMO CCC[N@@H+](Cc1ccnc(C#N)c1)[C@@H](C)c1ccccc1OC ZINC000610991548 1015993539 /nfs/dbraw/zinc/99/35/39/1015993539.db2.gz MUXLNZDMSBAXFS-HNNXBMFYSA-N 1 1 309.413 3.935 20 30 DHEDMO C[N@H+](Cc1ccnc(C#N)c1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000610992283 1015996961 /nfs/dbraw/zinc/99/69/61/1015996961.db2.gz RHSUQTWTYQHYGX-QUCCMNQESA-N 1 1 321.424 3.553 20 30 DHEDMO CC[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000610993714 1015999638 /nfs/dbraw/zinc/99/96/38/1015999638.db2.gz DFNWSNRTWHVWBY-FXAWDEMLSA-N 1 1 305.425 3.969 20 30 DHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccnc(C#N)c2)C12CCCCC2 ZINC000610994033 1016006396 /nfs/dbraw/zinc/00/63/96/1016006396.db2.gz RPADLBKOBASKLH-ZWKOTPCHSA-N 1 1 313.445 3.513 20 30 DHEDMO C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccnc(C#N)c2)C2CC2)o1 ZINC000610995306 1016008454 /nfs/dbraw/zinc/00/84/54/1016008454.db2.gz JRQNZANHHAFISW-UGSOOPFHSA-N 1 1 307.397 3.834 20 30 DHEDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccnc(C#N)c2)C2CC2)o1 ZINC000610995306 1016008467 /nfs/dbraw/zinc/00/84/67/1016008467.db2.gz JRQNZANHHAFISW-UGSOOPFHSA-N 1 1 307.397 3.834 20 30 DHEDMO CCOC(=O)CC[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187715948 1016279070 /nfs/dbraw/zinc/27/90/70/1016279070.db2.gz FOZFXCKTGZJQLL-JKSUJKDBSA-N 1 1 314.429 3.675 20 30 DHEDMO C[C@@H](C1CC1)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000158028737 1016379753 /nfs/dbraw/zinc/37/97/53/1016379753.db2.gz CHQNJRHCFYBWDJ-HNNXBMFYSA-N 1 1 308.429 3.694 20 30 DHEDMO CC(C)OC(=O)C[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000248629842 1016584825 /nfs/dbraw/zinc/58/48/25/1016584825.db2.gz QFCSHPLSHCEFMB-WBVHZDCISA-N 1 1 314.429 3.673 20 30 DHEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000588978180 1038414111 /nfs/dbraw/zinc/41/41/11/1038414111.db2.gz OHSOEDGQNBZJOL-CQSZACIVSA-N 1 1 319.246 3.943 20 30 DHEDMO CC(C)C[N@H+](Cc1ccn(C(C)C)n1)Cc1ccc(C#N)cc1 ZINC000342508551 1016628090 /nfs/dbraw/zinc/62/80/90/1016628090.db2.gz DITUBCFKXWAKMR-UHFFFAOYSA-N 1 1 310.445 3.994 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccn(C(C)C)n1)Cc1ccc(C#N)cc1 ZINC000342508551 1016628096 /nfs/dbraw/zinc/62/80/96/1016628096.db2.gz DITUBCFKXWAKMR-UHFFFAOYSA-N 1 1 310.445 3.994 20 30 DHEDMO N#Cc1cc(F)ccc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281857267 1016765263 /nfs/dbraw/zinc/76/52/63/1016765263.db2.gz JXABSRUTJGXTLB-CQSZACIVSA-N 1 1 324.403 3.614 20 30 DHEDMO C=CC[C@H](CC)NC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000347272127 1016833141 /nfs/dbraw/zinc/83/31/41/1016833141.db2.gz PVWCKOTYYKFHSL-SFHVURJKSA-N 1 1 317.477 3.681 20 30 DHEDMO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)s1 ZINC000175859540 1016894854 /nfs/dbraw/zinc/89/48/54/1016894854.db2.gz FKJGFNBCDFEHSS-CQSZACIVSA-N 1 1 315.442 3.985 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(CNc2nc(C)ccc2C#N)cc1F ZINC000127842784 1016914674 /nfs/dbraw/zinc/91/46/74/1016914674.db2.gz CAEQXXSHRYOBGC-UHFFFAOYSA-N 1 1 321.359 3.507 20 30 DHEDMO CC[N@H+](CC#Cc1ccc(Cl)cc1)CCc1nccs1 ZINC000159259859 1016917141 /nfs/dbraw/zinc/91/71/41/1016917141.db2.gz OYHVLDOZTNZRJP-UHFFFAOYSA-N 1 1 304.846 3.713 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cnn(CC2CCC2)c1 ZINC000934551904 1017031866 /nfs/dbraw/zinc/03/18/66/1017031866.db2.gz DBDACMZSMBUXKO-ZDUSSCGKSA-N 1 1 312.392 3.545 20 30 DHEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCC1CCCCC1 ZINC001275763280 1032178222 /nfs/dbraw/zinc/17/82/22/1032178222.db2.gz AYMPCLICSSOBKB-QZTJIDSGSA-N 1 1 304.478 3.598 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000847032172 1032183930 /nfs/dbraw/zinc/18/39/30/1032183930.db2.gz VTNVMPPEUNFFLX-ZDUSSCGKSA-N 1 1 300.402 3.794 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000847032172 1032183937 /nfs/dbraw/zinc/18/39/37/1032183937.db2.gz VTNVMPPEUNFFLX-ZDUSSCGKSA-N 1 1 300.402 3.794 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000847033726 1032184398 /nfs/dbraw/zinc/18/43/98/1032184398.db2.gz ZMLUOMJAHYVKDG-QGZVFWFLSA-N 1 1 318.420 3.784 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2nnc(-c3cc(C)c(CC)s3)o2)C1 ZINC000847032926 1032185004 /nfs/dbraw/zinc/18/50/04/1032185004.db2.gz ZDMMMMVEOMNNST-CYBMUJFWSA-N 1 1 315.442 3.514 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2nnc(-c3cc(C)c(CC)s3)o2)C1 ZINC000847032926 1032185007 /nfs/dbraw/zinc/18/50/07/1032185007.db2.gz ZDMMMMVEOMNNST-CYBMUJFWSA-N 1 1 315.442 3.514 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+](CC#Cc1ccc(Cl)cc1)CCO ZINC001168310547 1032189061 /nfs/dbraw/zinc/18/90/61/1032189061.db2.gz UYROZEWDWPWHAO-INIZCTEOSA-N 1 1 313.828 3.747 20 30 DHEDMO CSCc1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000877462389 1033309281 /nfs/dbraw/zinc/30/92/81/1033309281.db2.gz PINDTISMNXMIGK-UHFFFAOYSA-N 1 1 317.845 3.759 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)ccc1C#N ZINC000295017729 1032245629 /nfs/dbraw/zinc/24/56/29/1032245629.db2.gz MVDLOGFCGYJRKD-RISCZKNCSA-N 1 1 312.335 3.730 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]([C@@H](C)C2CC2)C2CC2)c1C ZINC000362235001 1032280956 /nfs/dbraw/zinc/28/09/56/1032280956.db2.gz OEKRNOBEGLEHMU-AWEZNQCLSA-N 1 1 300.446 3.737 20 30 DHEDMO C=CCOc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1 ZINC000537615858 1032288459 /nfs/dbraw/zinc/28/84/59/1032288459.db2.gz FEHWEIKCWUWOIZ-MOPGFXCFSA-N 1 1 314.473 3.699 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1cccc(OC)c1OC ZINC000119937544 1032331987 /nfs/dbraw/zinc/33/19/87/1032331987.db2.gz KKNZDYQERKUVGV-UHFFFAOYSA-N 1 1 303.427 3.954 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc(OC)c1OC ZINC000119937544 1032332000 /nfs/dbraw/zinc/33/20/00/1032332000.db2.gz KKNZDYQERKUVGV-UHFFFAOYSA-N 1 1 303.427 3.954 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCC2(CC)COC2)cc1 ZINC001168334249 1032337953 /nfs/dbraw/zinc/33/79/53/1032337953.db2.gz OOUGJSUFBNBLLF-SFHVURJKSA-N 1 1 300.446 3.848 20 30 DHEDMO C=C(CC(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001148388081 1032389611 /nfs/dbraw/zinc/38/96/11/1032389611.db2.gz KNCDESGBCAYPJY-PKOBYXMFSA-N 1 1 314.473 3.616 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N(CC)c1nc2ccccc2s1 ZINC000121128410 1032421562 /nfs/dbraw/zinc/42/15/62/1032421562.db2.gz ALWOJMMTUJCXEQ-UHFFFAOYSA-N 1 1 317.458 3.547 20 30 DHEDMO C[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000216382518 1032468054 /nfs/dbraw/zinc/46/80/54/1032468054.db2.gz CNJQAHCUWQQRNR-OXJNMPFZSA-N 1 1 323.415 3.769 20 30 DHEDMO CS[C@H]1CCCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000092064082 1032471826 /nfs/dbraw/zinc/47/18/26/1032471826.db2.gz WYCIHTPMNDNKTF-PBHICJAKSA-N 1 1 304.459 3.695 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(OC)c(O)c1 ZINC000092217503 1032483802 /nfs/dbraw/zinc/48/38/02/1032483802.db2.gz MTYONZYATIXTBC-UHFFFAOYSA-N 1 1 313.397 3.598 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(NC(C)=O)cc1 ZINC000092505662 1032502298 /nfs/dbraw/zinc/50/22/98/1032502298.db2.gz HUFDPEXURSHQDQ-UHFFFAOYSA-N 1 1 308.425 3.876 20 30 DHEDMO C=CCOc1ccccc1[C@@H](C)Nc1cc[nH+]c(N2CCCC2)n1 ZINC001171372954 1032531589 /nfs/dbraw/zinc/53/15/89/1032531589.db2.gz MXCANIGWUXDXNN-OAHLLOKOSA-N 1 1 324.428 3.815 20 30 DHEDMO N#CCC[N@@H+](C1CCCC1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171379276 1032549780 /nfs/dbraw/zinc/54/97/80/1032549780.db2.gz CGDYLTIEXNLUKU-INIZCTEOSA-N 1 1 304.384 3.980 20 30 DHEDMO C=C(C)C(C)(C)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000424577502 1012054318 /nfs/dbraw/zinc/05/43/18/1012054318.db2.gz PCAJCWJWYBMTBK-UHFFFAOYSA-N 1 1 314.473 3.542 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000424868771 1012162755 /nfs/dbraw/zinc/16/27/55/1012162755.db2.gz IWCFWJWIPLIOAS-QGZVFWFLSA-N 1 1 314.473 3.569 20 30 DHEDMO C=CC[N@H+](CCCO[C@@H]1CCCCO1)Cc1ccccc1F ZINC000513880440 1012210436 /nfs/dbraw/zinc/21/04/36/1012210436.db2.gz XPTZSAZQGCFFPY-GOSISDBHSA-N 1 1 307.409 3.747 20 30 DHEDMO Clc1ccc(C#CC[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000583963447 1012257153 /nfs/dbraw/zinc/25/71/53/1012257153.db2.gz JWHHSEJVXAUZOT-MSOLQXFVSA-N 1 1 315.844 3.725 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000583963447 1012257169 /nfs/dbraw/zinc/25/71/69/1012257169.db2.gz JWHHSEJVXAUZOT-MSOLQXFVSA-N 1 1 315.844 3.725 20 30 DHEDMO C=CCN1CCC([NH2+][C@@H](CCC)c2ncccc2Cl)CC1 ZINC000924983450 1012332711 /nfs/dbraw/zinc/33/27/11/1012332711.db2.gz FLIHRARGFNBNHJ-INIZCTEOSA-N 1 1 307.869 3.816 20 30 DHEDMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000122881083 1032625329 /nfs/dbraw/zinc/62/53/29/1032625329.db2.gz KBFCSYZLTAIZJN-MRXNPFEDSA-N 1 1 321.424 3.807 20 30 DHEDMO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000122881083 1032625338 /nfs/dbraw/zinc/62/53/38/1032625338.db2.gz KBFCSYZLTAIZJN-MRXNPFEDSA-N 1 1 321.424 3.807 20 30 DHEDMO C=CCOc1ccc(CNc2ccc(C3CCC3)c[nH+]2)cc1OC ZINC000339565139 1012417006 /nfs/dbraw/zinc/41/70/06/1012417006.db2.gz MGFRCQDPZLHZAK-UHFFFAOYSA-N 1 1 324.424 4.535 20 30 DHEDMO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000122868916 1032625598 /nfs/dbraw/zinc/62/55/98/1032625598.db2.gz ZIEDILZDYQOASV-AWEZNQCLSA-N 1 1 308.381 3.538 20 30 DHEDMO Cc1cccc2ncc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)n21 ZINC000425363150 1012488809 /nfs/dbraw/zinc/48/88/09/1012488809.db2.gz BBGOUIAYILGJEU-HNNXBMFYSA-N 1 1 304.397 3.707 20 30 DHEDMO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000425469033 1012676468 /nfs/dbraw/zinc/67/64/68/1012676468.db2.gz FCQFVWBSBZTNLX-OAHLLOKOSA-N 1 1 308.466 3.903 20 30 DHEDMO N#Cc1cccc(CN2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000515742773 1012706825 /nfs/dbraw/zinc/70/68/25/1012706825.db2.gz XBDKOCRBPKRLLO-UHFFFAOYSA-N 1 1 311.473 3.646 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1nc2ccccc2n1C ZINC000425531191 1012732849 /nfs/dbraw/zinc/73/28/49/1012732849.db2.gz GWRVHQUHGYBQKQ-HNNXBMFYSA-N 1 1 318.424 3.680 20 30 DHEDMO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC000359182983 1012747631 /nfs/dbraw/zinc/74/76/31/1012747631.db2.gz BZFWRWNCVSRNKB-LLVKDONJSA-N 1 1 303.406 3.964 20 30 DHEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC000359182983 1012747647 /nfs/dbraw/zinc/74/76/47/1012747647.db2.gz BZFWRWNCVSRNKB-LLVKDONJSA-N 1 1 303.406 3.964 20 30 DHEDMO C=CC[N@H+](Cc1cccc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297655 1012781178 /nfs/dbraw/zinc/78/11/78/1012781178.db2.gz FXUXHQWWXFPASD-UHFFFAOYSA-N 1 1 300.333 3.922 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297655 1012781186 /nfs/dbraw/zinc/78/11/86/1012781186.db2.gz FXUXHQWWXFPASD-UHFFFAOYSA-N 1 1 300.333 3.922 20 30 DHEDMO Cc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cc(C)c1F ZINC001143376767 1012946136 /nfs/dbraw/zinc/94/61/36/1012946136.db2.gz GXSAWYKMNFIIQW-UHFFFAOYSA-N 1 1 323.415 3.636 20 30 DHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000336864541 1013020324 /nfs/dbraw/zinc/02/03/24/1013020324.db2.gz GYOGQLZLBDLBHI-AEFFLSMTSA-N 1 1 311.429 3.541 20 30 DHEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000342743350 1017143684 /nfs/dbraw/zinc/14/36/84/1017143684.db2.gz ZYOAZNBNCYKIAJ-INIZCTEOSA-N 1 1 314.429 3.825 20 30 DHEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCOc1ccccc1C#N ZINC001167599312 1017165042 /nfs/dbraw/zinc/16/50/42/1017165042.db2.gz SDRUFBOKOITVKZ-LPHOPBHVSA-N 1 1 306.409 3.815 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121387128 1017409586 /nfs/dbraw/zinc/40/95/86/1017409586.db2.gz BORCYJAZUJFPPC-OAHLLOKOSA-N 1 1 310.372 3.695 20 30 DHEDMO C[C@H](CNc1ncc(C#N)cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000347329520 1017433003 /nfs/dbraw/zinc/43/30/03/1017433003.db2.gz YCMBHQQPDNDLCI-CYBMUJFWSA-N 1 1 314.820 3.539 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCOC(=O)C(=C)C)cc1 ZINC001168077102 1017515603 /nfs/dbraw/zinc/51/56/03/1017515603.db2.gz RFNAIXCZUZPRTF-GOSISDBHSA-N 1 1 314.429 3.541 20 30 DHEDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444614874 1017592566 /nfs/dbraw/zinc/59/25/66/1017592566.db2.gz XMIQMOJZEXOBEF-IAGOWNOFSA-N 1 1 321.509 3.723 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444655440 1017607183 /nfs/dbraw/zinc/60/71/83/1017607183.db2.gz VEUDEXUVDBKURB-UHFFFAOYSA-N 1 1 302.378 3.649 20 30 DHEDMO C=CCn1cc(C[NH2+][C@@H](CCC)c2cc(C)sc2C)nn1 ZINC000624004053 1017631877 /nfs/dbraw/zinc/63/18/77/1017631877.db2.gz UEUWJKIRPURPDN-INIZCTEOSA-N 1 1 304.463 3.773 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2csc(NC(C)=O)n2)CCCC1(C)C ZINC000444777553 1017673993 /nfs/dbraw/zinc/67/39/93/1017673993.db2.gz GHBNAQNYWNHMPC-CQSZACIVSA-N 1 1 307.463 3.668 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2csc(NC(C)=O)n2)CCCC1(C)C ZINC000444777553 1017674002 /nfs/dbraw/zinc/67/40/02/1017674002.db2.gz GHBNAQNYWNHMPC-CQSZACIVSA-N 1 1 307.463 3.668 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCSc2ccccc21 ZINC000523553181 1017729367 /nfs/dbraw/zinc/72/93/67/1017729367.db2.gz QJVBCMKAFZPCPK-UHFFFAOYSA-N 1 1 318.486 3.804 20 30 DHEDMO N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000091479528 1017749982 /nfs/dbraw/zinc/74/99/82/1017749982.db2.gz JUONEGOVXBANKY-LLVKDONJSA-N 1 1 320.318 3.684 20 30 DHEDMO C[N@H+](CCOc1ccccc1)Cc1cc(C#N)ccc1Cl ZINC001140600900 1017754682 /nfs/dbraw/zinc/75/46/82/1017754682.db2.gz AALVXNPTAVEZEM-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO C[N@@H+](CCOc1ccccc1)Cc1cc(C#N)ccc1Cl ZINC001140600900 1017754706 /nfs/dbraw/zinc/75/47/06/1017754706.db2.gz AALVXNPTAVEZEM-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1c1ccc(NCc2ccccc2C#N)nc1 ZINC001167636225 1017828034 /nfs/dbraw/zinc/82/80/34/1017828034.db2.gz YAHQJBKVFBVQKV-GOSISDBHSA-N 1 1 306.413 3.722 20 30 DHEDMO C=CCN(Cc1ccccc1F)C(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000339263884 1017834942 /nfs/dbraw/zinc/83/49/42/1017834942.db2.gz JTZMIOHAUOCXRM-INIZCTEOSA-N 1 1 318.436 3.605 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC001171488971 1032728003 /nfs/dbraw/zinc/72/80/03/1032728003.db2.gz BHAQQIIIRPZLAL-AWEZNQCLSA-N 1 1 311.347 3.820 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC001171488972 1032728640 /nfs/dbraw/zinc/72/86/40/1032728640.db2.gz BHAQQIIIRPZLAL-CQSZACIVSA-N 1 1 311.347 3.820 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000091508332 1017848395 /nfs/dbraw/zinc/84/83/95/1017848395.db2.gz CJOJYQKXLRRFBL-IRXDYDNUSA-N 1 1 316.493 3.929 20 30 DHEDMO C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000171138366 1017869271 /nfs/dbraw/zinc/86/92/71/1017869271.db2.gz VDVKLTVBVCTKNW-ACJLOTCBSA-N 1 1 314.816 3.938 20 30 DHEDMO C=CC1(CC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CCCCC1 ZINC001128652258 1017881609 /nfs/dbraw/zinc/88/16/09/1017881609.db2.gz KDCHYPGKKDUCKG-MRXNPFEDSA-N 1 1 306.494 3.750 20 30 DHEDMO C[C@@H](CC#N)[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000161955733 1017895607 /nfs/dbraw/zinc/89/56/07/1017895607.db2.gz UEENVTWWBMLXOB-JTQLQIEISA-N 1 1 314.216 3.556 20 30 DHEDMO C[C@@H](CC#N)[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000161955733 1017895622 /nfs/dbraw/zinc/89/56/22/1017895622.db2.gz UEENVTWWBMLXOB-JTQLQIEISA-N 1 1 314.216 3.556 20 30 DHEDMO COc1ccc([C@@H]([NH2+]Cc2ccc(F)cc2C#N)C2CC2)cc1 ZINC000171375117 1017929347 /nfs/dbraw/zinc/92/93/47/1017929347.db2.gz NWYNPIGPQSCPQL-IBGZPJMESA-N 1 1 310.372 3.947 20 30 DHEDMO CCOc1cccc2cc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)oc21 ZINC000182651114 1017938466 /nfs/dbraw/zinc/93/84/66/1017938466.db2.gz AIXKLKZIFQQVSP-UONOGXRCSA-N 1 1 311.385 3.926 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000524307528 1017953531 /nfs/dbraw/zinc/95/35/31/1017953531.db2.gz IJTWWCLOHYTQCS-IBGZPJMESA-N 1 1 314.473 3.681 20 30 DHEDMO FC(F)(F)CC[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000674462326 1017998482 /nfs/dbraw/zinc/99/84/82/1017998482.db2.gz IARMEYQKURXBRY-WDSKDSINSA-N 1 1 303.168 3.611 20 30 DHEDMO C=CCCC[C@H](C)[N@@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000091555424 1018066275 /nfs/dbraw/zinc/06/62/75/1018066275.db2.gz MGJHAQLQVREXLG-INIZCTEOSA-N 1 1 302.462 3.955 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000153977074 1018074117 /nfs/dbraw/zinc/07/41/17/1018074117.db2.gz KXWLTKBIADLERD-CYBMUJFWSA-N 1 1 301.390 3.704 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1cnc2c(c1)c(C)nn2C ZINC000193829758 1018162533 /nfs/dbraw/zinc/16/25/33/1018162533.db2.gz LAADEFGHGDTECN-UHFFFAOYSA-N 1 1 312.442 3.526 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cnc2c(c1)c(C)nn2C ZINC000193829758 1018162540 /nfs/dbraw/zinc/16/25/40/1018162540.db2.gz LAADEFGHGDTECN-UHFFFAOYSA-N 1 1 312.442 3.526 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000525121852 1018175690 /nfs/dbraw/zinc/17/56/90/1018175690.db2.gz HOMHNKYYQSUJBG-HKUYNNGSSA-N 1 1 314.473 3.537 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2ccc([S@](C)=O)cc2)CCCC1(C)C ZINC000446827468 1018261394 /nfs/dbraw/zinc/26/13/94/1018261394.db2.gz ONBHKXHRSCEQPN-UTKZUKDTSA-N 1 1 305.487 3.991 20 30 DHEDMO COCC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H](C)c1ccccc1 ZINC000446863641 1018276843 /nfs/dbraw/zinc/27/68/43/1018276843.db2.gz WKDHSMDMUDMPQX-KRWDZBQOSA-N 1 1 311.400 3.887 20 30 DHEDMO Cc1ccc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000441186556 1018321850 /nfs/dbraw/zinc/32/18/50/1018321850.db2.gz XAYHXTNOZFBRBC-UHFFFAOYSA-N 1 1 318.380 3.549 20 30 DHEDMO Cc1ccc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000441186556 1018321868 /nfs/dbraw/zinc/32/18/68/1018321868.db2.gz XAYHXTNOZFBRBC-UHFFFAOYSA-N 1 1 318.380 3.549 20 30 DHEDMO C=CCCCCC[N@@H+](C)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000150895926 1018331311 /nfs/dbraw/zinc/33/13/11/1018331311.db2.gz LNVPMCHMCMLTBG-UHFFFAOYSA-N 1 1 302.418 3.506 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000150895926 1018331324 /nfs/dbraw/zinc/33/13/24/1018331324.db2.gz LNVPMCHMCMLTBG-UHFFFAOYSA-N 1 1 302.418 3.506 20 30 DHEDMO CSCC[C@@H](C)[N@@H+](C)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000121719245 1018339696 /nfs/dbraw/zinc/33/96/96/1018339696.db2.gz PSADAFFLGAMXSY-CYBMUJFWSA-N 1 1 315.442 3.787 20 30 DHEDMO CC(C)CCOC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428472260 1018348136 /nfs/dbraw/zinc/34/81/36/1018348136.db2.gz GWBKRLMLHDCOCH-UHFFFAOYSA-N 1 1 304.409 3.724 20 30 DHEDMO C#CCCOc1ccc(CNc2[nH+]c3cc(F)ccc3n2C)cc1 ZINC000766106565 1018364505 /nfs/dbraw/zinc/36/45/05/1018364505.db2.gz FKYFAEQJNWAZAP-UHFFFAOYSA-N 1 1 323.371 3.727 20 30 DHEDMO CC1CC[NH+]([C@H](CNCc2ccc(C#N)o2)c2ccccc2)CC1 ZINC000174297348 1018413787 /nfs/dbraw/zinc/41/37/87/1018413787.db2.gz PULDWSYLIXSQGU-HXUWFJFHSA-N 1 1 323.440 3.714 20 30 DHEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000525993011 1018416496 /nfs/dbraw/zinc/41/64/96/1018416496.db2.gz CXXCEVVRXMBJNF-QMMMGPOBSA-N 1 1 321.140 3.717 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N2CC[N@H+](C)C(C)(C)CC2)c1 ZINC000934885921 1018421495 /nfs/dbraw/zinc/42/14/95/1018421495.db2.gz VZTQQKGLRPFBTP-UHFFFAOYSA-N 1 1 301.434 3.668 20 30 DHEDMO CC[C@@H](NC[C@H]1CCC[N@H+](CC(C)C)C1)c1ccc(C#N)cc1 ZINC000447585559 1018430426 /nfs/dbraw/zinc/43/04/26/1018430426.db2.gz KLXFUFQYYPIZLL-UYAOXDASSA-N 1 1 313.489 3.967 20 30 DHEDMO CC[C@@H](NC[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(C#N)cc1 ZINC000447585559 1018430434 /nfs/dbraw/zinc/43/04/34/1018430434.db2.gz KLXFUFQYYPIZLL-UYAOXDASSA-N 1 1 313.489 3.967 20 30 DHEDMO N#CC1(C[N@@H+](Cc2cccc(Br)c2)C2CC2)CC1 ZINC000343240228 1018479543 /nfs/dbraw/zinc/47/95/43/1018479543.db2.gz TUDZRQKGXMEGDW-UHFFFAOYSA-N 1 1 305.219 3.717 20 30 DHEDMO N#CC1(C[N@H+](Cc2cccc(Br)c2)C2CC2)CC1 ZINC000343240228 1018479548 /nfs/dbraw/zinc/47/95/48/1018479548.db2.gz TUDZRQKGXMEGDW-UHFFFAOYSA-N 1 1 305.219 3.717 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000448250807 1018564137 /nfs/dbraw/zinc/56/41/37/1018564137.db2.gz YKIRHJMNQKLXCC-IBGZPJMESA-N 1 1 306.409 3.774 20 30 DHEDMO CC[N@H+]1CC[C@H](Nc2cccc(OCCCC#N)c2)[C@H](C)C1 ZINC000129938279 1018654269 /nfs/dbraw/zinc/65/42/69/1018654269.db2.gz VMHZJUXTMCJZAW-QAPCUYQASA-N 1 1 301.434 3.511 20 30 DHEDMO Cc1cccc2c1CC[C@@H]([N@H+]1CCc3ccc(C#N)cc3C1)C2 ZINC001171565187 1032783182 /nfs/dbraw/zinc/78/31/82/1032783182.db2.gz MGMAVHAPFWEQEC-HXUWFJFHSA-N 1 1 302.421 3.782 20 30 DHEDMO Fc1ccc(C#CC[N@@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000676558234 1018771094 /nfs/dbraw/zinc/77/10/94/1018771094.db2.gz IAUKPPVPKGBZHF-FQEVSTJZSA-N 1 1 309.384 3.641 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000676558234 1018771106 /nfs/dbraw/zinc/77/11/06/1018771106.db2.gz IAUKPPVPKGBZHF-FQEVSTJZSA-N 1 1 309.384 3.641 20 30 DHEDMO Clc1ccc2c(N=NC3CC[N@H+]4CCC[C@H]34)ccnc2c1 ZINC000765549452 1018906700 /nfs/dbraw/zinc/90/67/00/1018906700.db2.gz VWMSSQHXQSMSSL-MRXNPFEDSA-N 1 1 300.793 3.524 20 30 DHEDMO CC(C)[C@@H]([NH2+]Cc1csc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000921528522 1018928068 /nfs/dbraw/zinc/92/80/68/1018928068.db2.gz VYYKSTYALDZUPE-MRXNPFEDSA-N 1 1 310.426 3.983 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(Br)c(F)c1 ZINC000721953188 1019025505 /nfs/dbraw/zinc/02/55/05/1019025505.db2.gz ZCNBJCZSJNCGSQ-UHFFFAOYSA-N 1 1 313.214 3.960 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(Br)c(F)c1 ZINC000721953188 1019025513 /nfs/dbraw/zinc/02/55/13/1019025513.db2.gz ZCNBJCZSJNCGSQ-UHFFFAOYSA-N 1 1 313.214 3.960 20 30 DHEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000801913169 1019050839 /nfs/dbraw/zinc/05/08/39/1019050839.db2.gz REZKAOXESLDIBZ-WFASDCNBSA-N 1 1 323.234 3.515 20 30 DHEDMO CC(C)[N@@H+](C)CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000063582955 1019060559 /nfs/dbraw/zinc/06/05/59/1019060559.db2.gz QTBLMMFUNNPOAF-UHFFFAOYSA-N 1 1 323.396 3.629 20 30 DHEDMO N#Cc1ccc(NC(=O)C[N@@H+](C2CC2)C2CCCC2)cc1Cl ZINC000064808262 1019199804 /nfs/dbraw/zinc/19/98/04/1019199804.db2.gz HVUDOKFOEHUQOU-UHFFFAOYSA-N 1 1 317.820 3.557 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000611276663 1019432371 /nfs/dbraw/zinc/43/23/71/1019432371.db2.gz RGOHBLBEJZXCEU-AOOOYVTPSA-N 1 1 316.289 3.989 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1C#N ZINC000611348305 1019456822 /nfs/dbraw/zinc/45/68/22/1019456822.db2.gz URSZYSJXWJSMCP-APWZRJJASA-N 1 1 320.440 3.817 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1C#N ZINC000611348305 1019456828 /nfs/dbraw/zinc/45/68/28/1019456828.db2.gz URSZYSJXWJSMCP-APWZRJJASA-N 1 1 320.440 3.817 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccn(-c2cccc(F)c2)n1)c1ccc(C#N)cc1 ZINC000611381769 1019460248 /nfs/dbraw/zinc/46/02/48/1019460248.db2.gz IHCQDBQRNAWZDF-CQSZACIVSA-N 1 1 320.371 3.734 20 30 DHEDMO CCn1c(C[NH2+][C@H](C)c2cccc(C#N)c2)nc2c1cccc2F ZINC000611387853 1019463089 /nfs/dbraw/zinc/46/30/89/1019463089.db2.gz GYACCPFPPLUXSU-CYBMUJFWSA-N 1 1 322.387 3.918 20 30 DHEDMO CC(C)c1nnc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)[nH]1 ZINC000611395145 1019468870 /nfs/dbraw/zinc/46/88/70/1019468870.db2.gz NJNOPDBKFJCTLO-BLLLJJGKSA-N 1 1 309.417 3.528 20 30 DHEDMO C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611392696 1019469044 /nfs/dbraw/zinc/46/90/44/1019469044.db2.gz DSGXTUFPKHSXFG-YRNRMSPPSA-N 1 1 311.473 3.788 20 30 DHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611392696 1019469050 /nfs/dbraw/zinc/46/90/50/1019469050.db2.gz DSGXTUFPKHSXFG-YRNRMSPPSA-N 1 1 311.473 3.788 20 30 DHEDMO C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390340 1019474576 /nfs/dbraw/zinc/47/45/76/1019474576.db2.gz UCOCKBLTLKZDTG-OXJNMPFZSA-N 1 1 311.473 3.790 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390340 1019474586 /nfs/dbraw/zinc/47/45/86/1019474586.db2.gz UCOCKBLTLKZDTG-OXJNMPFZSA-N 1 1 311.473 3.790 20 30 DHEDMO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cn1 ZINC000611524507 1019508693 /nfs/dbraw/zinc/50/86/93/1019508693.db2.gz LFKMHDKWJZEZJL-QGZVFWFLSA-N 1 1 301.340 3.718 20 30 DHEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000671699786 1019512997 /nfs/dbraw/zinc/51/29/97/1019512997.db2.gz UAKKHCXVKMWGKF-GOEBONIOSA-N 1 1 313.363 3.822 20 30 DHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000611553984 1019514827 /nfs/dbraw/zinc/51/48/27/1019514827.db2.gz AGGDZJKJMWBLID-JSGCOSHPSA-N 1 1 312.335 3.600 20 30 DHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000611554891 1019518346 /nfs/dbraw/zinc/51/83/46/1019518346.db2.gz ALOCJSKWYGHUEY-OCCSQVGLSA-N 1 1 312.335 3.600 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C1CCCCC1 ZINC000078649490 1019561188 /nfs/dbraw/zinc/56/11/88/1019561188.db2.gz NVMGQJPEKIQGAL-UHFFFAOYSA-N 1 1 319.474 3.830 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3C)C2)cc1 ZINC000186192954 1019607856 /nfs/dbraw/zinc/60/78/56/1019607856.db2.gz HWOQFJBUVXJVDF-IBGZPJMESA-N 1 1 306.409 3.865 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(C)c1OC ZINC000347588397 1019745927 /nfs/dbraw/zinc/74/59/27/1019745927.db2.gz NEOWODBBZOTCIB-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000618305171 1019781155 /nfs/dbraw/zinc/78/11/55/1019781155.db2.gz COVGRKZNKUMSGY-KRWDZBQOSA-N 1 1 304.409 3.999 20 30 DHEDMO C=C[C@H](CC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC000536234063 1019808457 /nfs/dbraw/zinc/80/84/57/1019808457.db2.gz PAGAVBCMRDOWNS-OXQOHEQNSA-N 1 1 320.436 3.649 20 30 DHEDMO C=C[C@H](CC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC000536234063 1019808465 /nfs/dbraw/zinc/80/84/65/1019808465.db2.gz PAGAVBCMRDOWNS-OXQOHEQNSA-N 1 1 320.436 3.649 20 30 DHEDMO CCC[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1O ZINC000727830542 1019819528 /nfs/dbraw/zinc/81/95/28/1019819528.db2.gz AYRFGRIWSDFKAB-UHFFFAOYSA-N 1 1 324.424 3.945 20 30 DHEDMO CC[C@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000068450313 1019898993 /nfs/dbraw/zinc/89/89/93/1019898993.db2.gz LHJQHQKEZIXIED-LBPRGKRZSA-N 1 1 319.474 3.557 20 30 DHEDMO C=C(Cl)C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000309652599 1019934129 /nfs/dbraw/zinc/93/41/29/1019934129.db2.gz UDOXHCHWYMKGCS-NSHDSACASA-N 1 1 302.599 3.615 20 30 DHEDMO Clc1cccc(C#CC[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000685604308 1019971568 /nfs/dbraw/zinc/97/15/68/1019971568.db2.gz QKGBYBRYWVBDHV-ROUUACIJSA-N 1 1 315.844 3.725 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000685604308 1019971575 /nfs/dbraw/zinc/97/15/75/1019971575.db2.gz QKGBYBRYWVBDHV-ROUUACIJSA-N 1 1 315.844 3.725 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c(Cl)c1 ZINC000318125783 1020026944 /nfs/dbraw/zinc/02/69/44/1020026944.db2.gz MQKWEVKPQPNTJR-KBAYOESNSA-N 1 1 318.848 3.727 20 30 DHEDMO CC(C)C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000123504694 1020071942 /nfs/dbraw/zinc/07/19/42/1020071942.db2.gz UUEUDMQSPKYEGD-KRWDZBQOSA-N 1 1 313.445 3.787 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1O ZINC000154373875 1020101205 /nfs/dbraw/zinc/10/12/05/1020101205.db2.gz FXPJNDZHWWBGCX-UHFFFAOYSA-N 1 1 310.397 3.683 20 30 DHEDMO CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@@H](C)c1cccc(O)c1 ZINC000154601773 1020132381 /nfs/dbraw/zinc/13/23/81/1020132381.db2.gz JWQIZOUVWBZRBD-AWEZNQCLSA-N 1 1 310.397 3.856 20 30 DHEDMO CC(C)n1ncc2cc(C[N@@H+](C)Cc3cccc(C#N)c3)cnc21 ZINC000154843003 1020157428 /nfs/dbraw/zinc/15/74/28/1020157428.db2.gz WEWXYASZGSGRFW-UHFFFAOYSA-N 1 1 319.412 3.516 20 30 DHEDMO C#Cc1cccc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000731866357 1020163668 /nfs/dbraw/zinc/16/36/68/1020163668.db2.gz GLODDUXVKAQRPV-KRWDZBQOSA-N 1 1 312.800 3.563 20 30 DHEDMO CC1CCC([N@H+](Cc2ccc(C#N)o2)C[C@@H]2CCCO2)CC1 ZINC000093666345 1020164885 /nfs/dbraw/zinc/16/48/85/1020164885.db2.gz SLPXUTDJCWBZAW-DQPZFDDXSA-N 1 1 302.418 3.711 20 30 DHEDMO CC1CCC([N@H+](Cc2ccc(C#N)o2)C[C@H]2CCCO2)CC1 ZINC000093666346 1020165142 /nfs/dbraw/zinc/16/51/42/1020165142.db2.gz SLPXUTDJCWBZAW-VMBOVVBDSA-N 1 1 302.418 3.711 20 30 DHEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093689501 1020166232 /nfs/dbraw/zinc/16/62/32/1020166232.db2.gz KMBMUZSGRJOWED-BEFAXECRSA-N 1 1 316.408 3.584 20 30 DHEDMO CCCCCCCCC(=O)Nc1c[nH+]ccc1-n1cccn1 ZINC000731990068 1020191739 /nfs/dbraw/zinc/19/17/39/1020191739.db2.gz CSWWSAHTBFIIIX-UHFFFAOYSA-N 1 1 300.406 3.956 20 30 DHEDMO C=CC1CC[NH+](Cn2c3c(sc2=O)C[C@@H](CCC)CC3)CC1 ZINC000732181498 1020205694 /nfs/dbraw/zinc/20/56/94/1020205694.db2.gz WPTJALHKDDOMAM-HNNXBMFYSA-N 1 1 320.502 3.670 20 30 DHEDMO C(#Cc1ccccc1)CNC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000892424602 1020205834 /nfs/dbraw/zinc/20/58/34/1020205834.db2.gz GBJLXECPPKVXOQ-GOSISDBHSA-N 1 1 310.466 3.526 20 30 DHEDMO C=CC1CC[NH+](Cn2c3c(sc2=O)C[C@H](CCC)CC3)CC1 ZINC000732181499 1020207279 /nfs/dbraw/zinc/20/72/79/1020207279.db2.gz WPTJALHKDDOMAM-OAHLLOKOSA-N 1 1 320.502 3.670 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2C[C@H](C)O[C@@H](CC)C2)c1O ZINC000732185001 1020209864 /nfs/dbraw/zinc/20/98/64/1020209864.db2.gz IUMPHJNBFWPLCO-YOEHRIQHSA-N 1 1 319.445 3.519 20 30 DHEDMO C=CC[N@@H+](CC1CCCCC1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000732667692 1020266548 /nfs/dbraw/zinc/26/65/48/1020266548.db2.gz BLXDQNZWZFIXOR-IBGZPJMESA-N 1 1 312.457 3.986 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c(F)c1 ZINC000280889373 1020312602 /nfs/dbraw/zinc/31/26/02/1020312602.db2.gz DBDJZWCIOUVIRT-BHIYHBOVSA-N 1 1 316.420 3.603 20 30 DHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1 ZINC000347761157 1020314940 /nfs/dbraw/zinc/31/49/40/1020314940.db2.gz RMEBTMIXEFABOU-SFHVURJKSA-N 1 1 321.424 3.804 20 30 DHEDMO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCOCCC#N ZINC000338889355 1020337940 /nfs/dbraw/zinc/33/79/40/1020337940.db2.gz DOWFCJTTZVMCLQ-NSHDSACASA-N 1 1 301.217 3.916 20 30 DHEDMO C#CC[N@H+](CC(C)C)[C@H]1CCOc2ccc(Br)cc21 ZINC000733197494 1020343022 /nfs/dbraw/zinc/34/30/22/1020343022.db2.gz RELFZRRPDNUMPL-HNNXBMFYSA-N 1 1 322.246 3.864 20 30 DHEDMO COCC[N@@H+](Cc1sccc1C)Cc1ccc(C#N)cc1 ZINC000125736085 1020344526 /nfs/dbraw/zinc/34/45/26/1020344526.db2.gz APRSXGJHXRKLHY-UHFFFAOYSA-N 1 1 300.427 3.577 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@@](C)(C#N)C3)cc2)n1 ZINC000612161341 1020354107 /nfs/dbraw/zinc/35/41/07/1020354107.db2.gz CKMSDHXHXUEOLV-IBGZPJMESA-N 1 1 308.429 3.615 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@@](C)(C#N)C3)cc2)n1 ZINC000612161341 1020354121 /nfs/dbraw/zinc/35/41/21/1020354121.db2.gz CKMSDHXHXUEOLV-IBGZPJMESA-N 1 1 308.429 3.615 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000125995940 1020366700 /nfs/dbraw/zinc/36/67/00/1020366700.db2.gz UDZVOTJMLXCZSD-IBGZPJMESA-N 1 1 321.424 3.514 20 30 DHEDMO COc1ccc([C@H]([NH2+]Cc2nc(C#N)cs2)C2CCC2)cc1 ZINC000922889559 1020386557 /nfs/dbraw/zinc/38/65/57/1020386557.db2.gz USFRTAAVVGJQNU-QGZVFWFLSA-N 1 1 313.426 3.654 20 30 DHEDMO C=C(C)CN1CCC([NH2+]Cc2ccccc2OCC2CC2)CC1 ZINC000106244903 1020400972 /nfs/dbraw/zinc/40/09/72/1020400972.db2.gz ASDLXWGQHBHBIB-UHFFFAOYSA-N 1 1 314.473 3.606 20 30 DHEDMO N#Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C(F)(F)F ZINC000364172069 1020423971 /nfs/dbraw/zinc/42/39/71/1020423971.db2.gz BVGSMMGOLJXINN-KGLIPLIRSA-N 1 1 309.335 3.616 20 30 DHEDMO N#Cc1ccnc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310537949 1020432787 /nfs/dbraw/zinc/43/27/87/1020432787.db2.gz PSZMWFYCYGVGRN-LJQANCHMSA-N 1 1 320.440 3.667 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(F)c(OC)c1)c1ccc(Cl)cc1 ZINC001117682181 1020444775 /nfs/dbraw/zinc/44/47/75/1020444775.db2.gz DWMQRCCCBYTGMR-INIZCTEOSA-N 1 1 303.764 3.952 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC001171841513 1032903456 /nfs/dbraw/zinc/90/34/56/1032903456.db2.gz OYYPVZDADOWLFR-CYBMUJFWSA-N 1 1 315.442 3.523 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC001171841513 1032903466 /nfs/dbraw/zinc/90/34/66/1032903466.db2.gz OYYPVZDADOWLFR-CYBMUJFWSA-N 1 1 315.442 3.523 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)CC2CCC(C#N)CC2)cc1 ZINC000929327535 1020461918 /nfs/dbraw/zinc/46/19/18/1020461918.db2.gz KBFMWLLAOZNJAG-UHFFFAOYSA-N 1 1 300.446 3.890 20 30 DHEDMO CC(C)(C)c1n[nH]cc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000537722249 1032903878 /nfs/dbraw/zinc/90/38/78/1032903878.db2.gz JYNMKBXUTKQFJA-UHFFFAOYSA-N 1 1 320.440 3.868 20 30 DHEDMO C=CCOCCC[N@H+](C)Cc1ccc(Br)s1 ZINC000347967639 1020468137 /nfs/dbraw/zinc/46/81/37/1020468137.db2.gz PTFGCDFGTMIREJ-UHFFFAOYSA-N 1 1 304.253 3.535 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2csc(C#N)c2)C1 ZINC000921690766 1020474611 /nfs/dbraw/zinc/47/46/11/1020474611.db2.gz DILLLZSGVRPCIY-YOEHRIQHSA-N 1 1 311.454 3.545 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCc2csc(C#N)c2)C1 ZINC000921690766 1020474618 /nfs/dbraw/zinc/47/46/18/1020474618.db2.gz DILLLZSGVRPCIY-YOEHRIQHSA-N 1 1 311.454 3.545 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC001171840549 1032904576 /nfs/dbraw/zinc/90/45/76/1032904576.db2.gz FDCFMMXMEABOSN-PBHICJAKSA-N 1 1 318.848 3.733 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cn2cccc(C)c2n1 ZINC000062364367 1020524764 /nfs/dbraw/zinc/52/47/64/1020524764.db2.gz VZCVKFSHIWUBIJ-UHFFFAOYSA-N 1 1 305.425 3.873 20 30 DHEDMO CC#CC(=O)N1CCC[C@]2(CC[N@H+](C[C@H](CC)CCCC)C2)C1 ZINC001272887995 1020549117 /nfs/dbraw/zinc/54/91/17/1020549117.db2.gz YLWWPOIFZVWVDS-UYAOXDASSA-N 1 1 318.505 3.541 20 30 DHEDMO Cc1ccc([C@H]2CC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)cc1 ZINC000359956769 1020573221 /nfs/dbraw/zinc/57/32/21/1020573221.db2.gz FLSMYYVYVIMHAT-SFHVURJKSA-N 1 1 316.408 3.504 20 30 DHEDMO C=CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171904057 1032916532 /nfs/dbraw/zinc/91/65/32/1032916532.db2.gz SPDNZIZECRSZFS-LJQANCHMSA-N 1 1 314.473 3.969 20 30 DHEDMO C=CC[C@H](C)[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC001171911856 1032916845 /nfs/dbraw/zinc/91/68/45/1032916845.db2.gz ZIBIWRZFRPLZAZ-YOEHRIQHSA-N 1 1 301.430 3.892 20 30 DHEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000734487496 1020613753 /nfs/dbraw/zinc/61/37/53/1020613753.db2.gz RJNHJLOQJCFETR-LPHOPBHVSA-N 1 1 306.409 3.967 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(c3ncco3)CC2)c(Cl)c1 ZINC000826777000 1020729815 /nfs/dbraw/zinc/72/98/15/1020729815.db2.gz NISYWRPLLVQHQS-UHFFFAOYSA-N 1 1 301.777 3.579 20 30 DHEDMO C#CC[N@H+](CCCCCC(=O)OCC)[C@H]1CCc2ccccc21 ZINC000735491284 1020738451 /nfs/dbraw/zinc/73/84/51/1020738451.db2.gz HKABPEHLWARXPA-IBGZPJMESA-N 1 1 313.441 3.733 20 30 DHEDMO C[C@H](c1cccc(NCc2ccccc2C#N)c1)[NH+]1CCOCC1 ZINC000264409512 1032926020 /nfs/dbraw/zinc/92/60/20/1032926020.db2.gz ZAFPQDIJYZWCNL-MRXNPFEDSA-N 1 1 321.424 3.564 20 30 DHEDMO C=CCCC[N@@H+](C)Cn1ccn(-c2cccc(OC)c2)c1=S ZINC000736586210 1020822322 /nfs/dbraw/zinc/82/23/22/1020822322.db2.gz XRLQMFOQXBSZJD-UHFFFAOYSA-N 1 1 317.458 3.872 20 30 DHEDMO C=CCCC[N@H+](C)Cn1ccn(-c2cccc(OC)c2)c1=S ZINC000736586210 1020822331 /nfs/dbraw/zinc/82/23/31/1020822331.db2.gz XRLQMFOQXBSZJD-UHFFFAOYSA-N 1 1 317.458 3.872 20 30 DHEDMO CCCCCCCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001267544389 1020835650 /nfs/dbraw/zinc/83/56/50/1020835650.db2.gz XRQIFDHYDHNNBL-MJGOQNOKSA-N 1 1 316.489 3.984 20 30 DHEDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000581223288 1020877227 /nfs/dbraw/zinc/87/72/27/1020877227.db2.gz LEPOILQPVLUOLG-INIZCTEOSA-N 1 1 316.405 3.533 20 30 DHEDMO C=CCCCCC[N@H+](C)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000739883708 1020919022 /nfs/dbraw/zinc/91/90/22/1020919022.db2.gz CVCGBRUFCXPRDO-SFHVURJKSA-N 1 1 316.445 3.686 20 30 DHEDMO C#CCSCCNc1cc[nH+]c2c(Br)cccc12 ZINC000739898974 1020921030 /nfs/dbraw/zinc/92/10/30/1020921030.db2.gz VXGJNPAPMFJJMI-UHFFFAOYSA-N 1 1 321.243 3.776 20 30 DHEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000180152584 1020953876 /nfs/dbraw/zinc/95/38/76/1020953876.db2.gz SJKJVYJCOYTYCB-IBGZPJMESA-N 1 1 316.408 3.852 20 30 DHEDMO CCCCCCC[N@@H+](Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000740874558 1020958446 /nfs/dbraw/zinc/95/84/46/1020958446.db2.gz PPVUAYAUNAKADH-UHFFFAOYSA-N 1 1 302.462 3.981 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000613492047 1020998050 /nfs/dbraw/zinc/99/80/50/1020998050.db2.gz FBZWXYBIDXKEKZ-QGZVFWFLSA-N 1 1 318.848 3.678 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000613492047 1020998054 /nfs/dbraw/zinc/99/80/54/1020998054.db2.gz FBZWXYBIDXKEKZ-QGZVFWFLSA-N 1 1 318.848 3.678 20 30 DHEDMO C[C@@H]1CC(=NN=C2c3ccccc3-c3ccccc32)CC[N@H+]1C ZINC000741462396 1021008487 /nfs/dbraw/zinc/00/84/87/1021008487.db2.gz OHQVJOFXNLUXPI-CQSZACIVSA-N 1 1 303.409 3.975 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000829785582 1021041313 /nfs/dbraw/zinc/04/13/13/1021041313.db2.gz WRPGJOXHKNXYCM-HNNXBMFYSA-N 1 1 316.470 3.696 20 30 DHEDMO CC(C)(C)c1ccc(C#N)c(NC[C@@H]2CCCC[N@H+]2C2CC2)n1 ZINC000617976652 1021200823 /nfs/dbraw/zinc/20/08/23/1021200823.db2.gz HZBOMVZHMPLHDG-INIZCTEOSA-N 1 1 312.461 3.680 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@@H](CC)c1ccccc1OCC)C(C)C ZINC000917168175 1021205562 /nfs/dbraw/zinc/20/55/62/1021205562.db2.gz RLCQXDGZWOXXGD-KRWDZBQOSA-N 1 1 318.461 3.549 20 30 DHEDMO C=CC[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C(C)C ZINC000917481628 1021273621 /nfs/dbraw/zinc/27/36/21/1021273621.db2.gz SDQUZIOFVLVVKH-UHFFFAOYSA-N 1 1 307.375 3.726 20 30 DHEDMO C=CC[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C(C)C ZINC000917481628 1021273630 /nfs/dbraw/zinc/27/36/30/1021273630.db2.gz SDQUZIOFVLVVKH-UHFFFAOYSA-N 1 1 307.375 3.726 20 30 DHEDMO Oc1ccc2ccccc2c1/C=N\CC[NH+]1Cc2ccccc2C1 ZINC000743538908 1021319750 /nfs/dbraw/zinc/31/97/50/1021319750.db2.gz SARNHZQTKXEFBM-XKZIYDEJSA-N 1 1 316.404 3.980 20 30 DHEDMO C[C@]1(C#N)CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987127 1032971376 /nfs/dbraw/zinc/97/13/76/1032971376.db2.gz PEOSXAWZVURLIT-AZUAARDMSA-N 1 1 311.473 3.665 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)c1cc(C)cc(C)c1 ZINC000743842586 1021370607 /nfs/dbraw/zinc/37/06/07/1021370607.db2.gz HRQIOXOWNFSQJJ-NRFANRHFSA-N 1 1 320.436 3.897 20 30 DHEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1cccc(F)c1F ZINC000181961912 1021403436 /nfs/dbraw/zinc/40/34/36/1021403436.db2.gz VEYBVEQXKKGPLI-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000589820847 1021498343 /nfs/dbraw/zinc/49/83/43/1021498343.db2.gz BXTDLTLRWRBBJR-UKRRQHHQSA-N 1 1 302.422 3.804 20 30 DHEDMO O=C1C=C(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC001172062955 1032989115 /nfs/dbraw/zinc/98/91/15/1032989115.db2.gz UFIWBLXTKBVMHA-OWZKRDHZSA-N 1 1 324.468 3.799 20 30 DHEDMO CC(=O)C=C(C)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062991 1032990197 /nfs/dbraw/zinc/99/01/97/1032990197.db2.gz VFDBIFMLLRJPGF-WNCKDGNASA-N 1 1 312.457 3.655 20 30 DHEDMO C[N@@H+](CCS[C@H](C#N)Cc1ccccc1)Cc1ccccc1 ZINC000618966016 1021594240 /nfs/dbraw/zinc/59/42/40/1021594240.db2.gz MGLPWVOTQQGMBO-IBGZPJMESA-N 1 1 310.466 3.986 20 30 DHEDMO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccccn1 ZINC000181809172 1021619978 /nfs/dbraw/zinc/61/99/78/1021619978.db2.gz XNIQAFHWZGLCLV-CYBMUJFWSA-N 1 1 320.314 3.683 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000093643741 1021640437 /nfs/dbraw/zinc/64/04/37/1021640437.db2.gz DLKGZWMPHFWMET-ZBFHGGJFSA-N 1 1 322.880 3.819 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1Cl ZINC000093643741 1021640442 /nfs/dbraw/zinc/64/04/42/1021640442.db2.gz DLKGZWMPHFWMET-ZBFHGGJFSA-N 1 1 322.880 3.819 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1Cl ZINC000093643741 1021640447 /nfs/dbraw/zinc/64/04/47/1021640447.db2.gz DLKGZWMPHFWMET-ZBFHGGJFSA-N 1 1 322.880 3.819 20 30 DHEDMO COc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1OC ZINC000123391723 1021643393 /nfs/dbraw/zinc/64/33/93/1021643393.db2.gz IUGNMEFRCZBMDW-UHFFFAOYSA-N 1 1 324.424 3.986 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(C#N)c1 ZINC000182433656 1021660311 /nfs/dbraw/zinc/66/03/11/1021660311.db2.gz NJFKIMSQZGZEDB-NSHDSACASA-N 1 1 315.760 3.971 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1O)CCC2 ZINC000745162236 1021673058 /nfs/dbraw/zinc/67/30/58/1021673058.db2.gz KWZDWUVGQWYLQQ-UHFFFAOYSA-N 1 1 318.420 3.941 20 30 DHEDMO C[C@@H](CC#N)C(=O)OC[C@]1(C)CCCC[N@H+]1Cc1ccccc1 ZINC000850936759 1021690634 /nfs/dbraw/zinc/69/06/34/1021690634.db2.gz BBEASINOJYZVOF-LPHOPBHVSA-N 1 1 314.429 3.524 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c(Cl)c1 ZINC000615229114 1021715025 /nfs/dbraw/zinc/71/50/25/1021715025.db2.gz LMGRWOSFPOXZRC-CVEARBPZSA-N 1 1 318.848 3.850 20 30 DHEDMO N#CC1CCC(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000930062317 1021733573 /nfs/dbraw/zinc/73/35/73/1021733573.db2.gz YASCWVZLQCVKLM-UHFFFAOYSA-N 1 1 313.401 3.889 20 30 DHEDMO CCCCCCC[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000745703371 1021767756 /nfs/dbraw/zinc/76/77/56/1021767756.db2.gz NRUMUVPPOBQARA-YESZJQIVSA-N 1 1 311.514 3.765 20 30 DHEDMO CCCCCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000745855726 1021793709 /nfs/dbraw/zinc/79/37/09/1021793709.db2.gz YCCVNOKFMBGLQC-DLBZAZTESA-N 1 1 311.514 3.861 20 30 DHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000619621181 1021813304 /nfs/dbraw/zinc/81/33/04/1021813304.db2.gz CEBNSQZBBHBNBE-UONOGXRCSA-N 1 1 318.383 3.750 20 30 DHEDMO COc1ccccc1CC[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000480798121 1021834399 /nfs/dbraw/zinc/83/43/99/1021834399.db2.gz XUPHHWNZOMKXJX-UHFFFAOYSA-N 1 1 314.816 3.895 20 30 DHEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@](C)(C#N)c1ccccc1Cl)C2 ZINC001172107165 1033010510 /nfs/dbraw/zinc/01/05/10/1033010510.db2.gz UAJBAPVXIVJWBB-BASYENTBSA-N 1 1 317.864 3.684 20 30 DHEDMO CCCCOC(=O)CC[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000919770989 1021891275 /nfs/dbraw/zinc/89/12/75/1021891275.db2.gz YKJXAFOESBXDCH-HNNXBMFYSA-N 1 1 302.418 3.675 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)ccn1 ZINC000619784506 1021895987 /nfs/dbraw/zinc/89/59/87/1021895987.db2.gz INYJTUUFQHMBKC-CQSZACIVSA-N 1 1 309.335 3.508 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)ccn1 ZINC000619784506 1021895999 /nfs/dbraw/zinc/89/59/99/1021895999.db2.gz INYJTUUFQHMBKC-CQSZACIVSA-N 1 1 309.335 3.508 20 30 DHEDMO N#Cc1ccc(F)c(C[NH2+][C@H]2CCCc3c(Cl)ccnc32)c1 ZINC000925472706 1021914866 /nfs/dbraw/zinc/91/48/66/1021914866.db2.gz GCCMAVASHCLRBF-INIZCTEOSA-N 1 1 315.779 3.913 20 30 DHEDMO Cc1csc(C(C)(C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000116381563 1033016356 /nfs/dbraw/zinc/01/63/56/1033016356.db2.gz SZCASXQSXLFAAA-CYBMUJFWSA-N 1 1 315.442 3.767 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccccc2OCC)CC1 ZINC000153031912 1021933131 /nfs/dbraw/zinc/93/31/31/1021933131.db2.gz KKJOKCVRPLVLPL-MRXNPFEDSA-N 1 1 302.462 3.776 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000919944262 1021981463 /nfs/dbraw/zinc/98/14/63/1021981463.db2.gz BSHHOZHUNYDDJD-UHFFFAOYSA-N 1 1 304.434 3.767 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000919944262 1021981452 /nfs/dbraw/zinc/98/14/52/1021981452.db2.gz BSHHOZHUNYDDJD-UHFFFAOYSA-N 1 1 304.434 3.767 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)s1 ZINC000128384069 1022047146 /nfs/dbraw/zinc/04/71/46/1022047146.db2.gz BPBNCHJVUDOEFR-MRXNPFEDSA-N 1 1 300.452 3.910 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)s1 ZINC000128384069 1022047156 /nfs/dbraw/zinc/04/71/56/1022047156.db2.gz BPBNCHJVUDOEFR-MRXNPFEDSA-N 1 1 300.452 3.910 20 30 DHEDMO CCS[C@H]1CCCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000480950087 1022050245 /nfs/dbraw/zinc/05/02/45/1022050245.db2.gz CTJBPHCSRMSASD-KRWDZBQOSA-N 1 1 304.459 3.545 20 30 DHEDMO Cn1cc[nH+]c1[C@H]1CCCN([C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000851990172 1022054818 /nfs/dbraw/zinc/05/48/18/1022054818.db2.gz OVIGVIVAJAXLAB-HOCLYGCPSA-N 1 1 314.820 3.518 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000128394586 1022058961 /nfs/dbraw/zinc/05/89/61/1022058961.db2.gz IFVBHKLMAWEFOP-MRXNPFEDSA-N 1 1 300.452 3.910 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000128394586 1022058978 /nfs/dbraw/zinc/05/89/78/1022058978.db2.gz IFVBHKLMAWEFOP-MRXNPFEDSA-N 1 1 300.452 3.910 20 30 DHEDMO CC[N@@H+](CCc1ccc(C#N)cc1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000852065272 1022065869 /nfs/dbraw/zinc/06/58/69/1022065869.db2.gz FPIYJNXJKHBFCN-OXJNMPFZSA-N 1 1 308.425 3.545 20 30 DHEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(-c2ccc(OC)cc2)n1 ZINC000852098325 1022071635 /nfs/dbraw/zinc/07/16/35/1022071635.db2.gz KBBNDZYUTCJLJB-QGZVFWFLSA-N 1 1 300.427 3.710 20 30 DHEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1c(C)cc(C#N)cc1C ZINC000930126285 1022106614 /nfs/dbraw/zinc/10/66/14/1022106614.db2.gz NESPMVWNTBDOSP-SFHVURJKSA-N 1 1 308.429 3.852 20 30 DHEDMO CCc1ccccc1C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852332084 1022107243 /nfs/dbraw/zinc/10/72/43/1022107243.db2.gz OEAVSCJTPDWZQS-FQEVSTJZSA-N 1 1 305.425 3.701 20 30 DHEDMO CCc1ccccc1C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852332084 1022107248 /nfs/dbraw/zinc/10/72/48/1022107248.db2.gz OEAVSCJTPDWZQS-FQEVSTJZSA-N 1 1 305.425 3.701 20 30 DHEDMO CC(C)(C)OCCCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852330508 1022107610 /nfs/dbraw/zinc/10/76/10/1022107610.db2.gz DHFSZQZUKZMMGA-IBGZPJMESA-N 1 1 315.461 3.534 20 30 DHEDMO CC(C)(C)OCCCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852330508 1022107614 /nfs/dbraw/zinc/10/76/14/1022107614.db2.gz DHFSZQZUKZMMGA-IBGZPJMESA-N 1 1 315.461 3.534 20 30 DHEDMO C=CC[N@@H+](Cc1cc2ccccc2c(Cl)n1)[C@H](C)COC ZINC000852356750 1022112589 /nfs/dbraw/zinc/11/25/89/1022112589.db2.gz NDPPVAIHJTYBBT-CYBMUJFWSA-N 1 1 304.821 3.911 20 30 DHEDMO CC[C@@H]1C[N@@H+](CCC(C)(C)C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000776593690 1022117009 /nfs/dbraw/zinc/11/70/09/1022117009.db2.gz MJWRJWCIZSPIDL-HUUCEWRRSA-N 1 1 323.481 3.551 20 30 DHEDMO CC[C@H]1C[N@@H+](CCC(C)(C)C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000776593688 1022118216 /nfs/dbraw/zinc/11/82/16/1022118216.db2.gz MJWRJWCIZSPIDL-GJZGRUSLSA-N 1 1 323.481 3.551 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)cc1 ZINC000852426084 1022119221 /nfs/dbraw/zinc/11/92/21/1022119221.db2.gz HFIUPOCQYIKOGD-HKUYNNGSSA-N 1 1 322.408 3.802 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000920484949 1022127649 /nfs/dbraw/zinc/12/76/49/1022127649.db2.gz LFEWFOSMXWRGNJ-CQSZACIVSA-N 1 1 306.479 3.555 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@@H]2C(C)C)c1=S ZINC000920484949 1022127653 /nfs/dbraw/zinc/12/76/53/1022127653.db2.gz LFEWFOSMXWRGNJ-CQSZACIVSA-N 1 1 306.479 3.555 20 30 DHEDMO CCC[N@@H+](C)CC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000609316465 1022145771 /nfs/dbraw/zinc/14/57/71/1022145771.db2.gz DSBWMCVZORJSOQ-UHFFFAOYSA-N 1 1 323.396 3.631 20 30 DHEDMO Oc1ccc(Cl)cc1/C=N\[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000920944746 1022193798 /nfs/dbraw/zinc/19/37/98/1022193798.db2.gz JFDLHBPMVJFJQM-BCUAHEQISA-N 1 1 314.816 3.739 20 30 DHEDMO CC1(C)C[C@@H](NCC2(C#N)CCCC2)C[N@H+]1Cc1ccccc1 ZINC001204020270 1022219785 /nfs/dbraw/zinc/21/97/85/1022219785.db2.gz LHAQGDYKCMNTIH-GOSISDBHSA-N 1 1 311.473 3.713 20 30 DHEDMO CC1(C)C[C@@H]([NH2+]CC2(C#N)CCCC2)CN1Cc1ccccc1 ZINC001204020270 1022219795 /nfs/dbraw/zinc/21/97/95/1022219795.db2.gz LHAQGDYKCMNTIH-GOSISDBHSA-N 1 1 311.473 3.713 20 30 DHEDMO N#CCC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCCCCC1 ZINC001169027149 1022220542 /nfs/dbraw/zinc/22/05/42/1022220542.db2.gz PHMOYVPTGIFXFC-DOTOQJQBSA-N 1 1 307.438 3.760 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000153844713 1022257022 /nfs/dbraw/zinc/25/70/22/1022257022.db2.gz NXDJDSULECPALT-FQEVSTJZSA-N 1 1 323.411 3.716 20 30 DHEDMO C=CC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@H](C)COC ZINC000853532984 1022287586 /nfs/dbraw/zinc/28/75/86/1022287586.db2.gz RJHFBOWMKAPQCV-CQSZACIVSA-N 1 1 315.413 3.577 20 30 DHEDMO CC(C)(CCC#N)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154325310 1022296041 /nfs/dbraw/zinc/29/60/41/1022296041.db2.gz QDKAITKPQKYETQ-UHFFFAOYSA-N 1 1 301.390 3.889 20 30 DHEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CCCC1 ZINC000620784976 1022305063 /nfs/dbraw/zinc/30/50/63/1022305063.db2.gz WWWMEFOOHKUMGD-SFHVURJKSA-N 1 1 312.457 3.514 20 30 DHEDMO CC[C@H]1c2ccccc2CC[N@@H+]1CCOc1ccccc1C#N ZINC000609625757 1022318022 /nfs/dbraw/zinc/31/80/22/1022318022.db2.gz YUKFZXXQTDJYCZ-IBGZPJMESA-N 1 1 306.409 3.946 20 30 DHEDMO Cc1ccc(C)n1-c1ccc([NH+]=C(NO)c2ccc(C)cn2)cc1 ZINC001169408076 1022385425 /nfs/dbraw/zinc/38/54/25/1022385425.db2.gz FMDXZXJBVDCIQJ-UHFFFAOYSA-N 1 1 320.396 3.855 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@@H+]([C@H]1CSc3ccccc3C1)C2 ZINC001172195241 1033054244 /nfs/dbraw/zinc/05/42/44/1033054244.db2.gz GUNCBTFRIGTFPT-GOSISDBHSA-N 1 1 306.434 3.633 20 30 DHEDMO N#Cc1cccc(OCC[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000610079994 1022416534 /nfs/dbraw/zinc/41/65/34/1022416534.db2.gz WRXMXCSUILXUDE-UHFFFAOYSA-N 1 1 312.800 3.649 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CCc3c(Cl)cccc3C2)c1 ZINC000610079994 1022416539 /nfs/dbraw/zinc/41/65/39/1022416539.db2.gz WRXMXCSUILXUDE-UHFFFAOYSA-N 1 1 312.800 3.649 20 30 DHEDMO CCN(CC)C(=O)C[C@@H](C)[N@@H+](CCC#N)C1CCCCCCC1 ZINC001169473524 1022423562 /nfs/dbraw/zinc/42/35/62/1022423562.db2.gz FNNKWLFGECZRCJ-QGZVFWFLSA-N 1 1 321.509 3.962 20 30 DHEDMO CC(C)C[C@@H]1CCCCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000610133897 1022424917 /nfs/dbraw/zinc/42/49/17/1022424917.db2.gz IPMGOWNOTSGZSF-KRWDZBQOSA-N 1 1 319.493 3.620 20 30 DHEDMO C=CCCC[N@@H+](C)Cc1nc(COc2cc(C)cc(C)c2)no1 ZINC000156146976 1022441922 /nfs/dbraw/zinc/44/19/22/1022441922.db2.gz DPMGJDQUFMEVLH-UHFFFAOYSA-N 1 1 315.417 3.663 20 30 DHEDMO C=CCCC[N@H+](C)Cc1nc(COc2cc(C)cc(C)c2)no1 ZINC000156146976 1022441930 /nfs/dbraw/zinc/44/19/30/1022441930.db2.gz DPMGJDQUFMEVLH-UHFFFAOYSA-N 1 1 315.417 3.663 20 30 DHEDMO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H](C)C#N)cc1 ZINC000183835189 1022458952 /nfs/dbraw/zinc/45/89/52/1022458952.db2.gz BDJJBFBDVQUGSF-KRWDZBQOSA-N 1 1 307.441 3.962 20 30 DHEDMO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000615447499 1022480171 /nfs/dbraw/zinc/48/01/71/1022480171.db2.gz KTDHFULXGBLIJV-DOMZBBRYSA-N 1 1 312.335 3.663 20 30 DHEDMO C=CC[N@@H+]([C@H]1CCCN(C(=O)c2ccccc2)C1)C(C)(C)C ZINC001169786904 1022545396 /nfs/dbraw/zinc/54/53/96/1022545396.db2.gz CCHPNYZUMGMTLG-KRWDZBQOSA-N 1 1 300.446 3.578 20 30 DHEDMO C#CCOc1ccccc1C[NH2+]Cc1ccccc1OC1CCC1 ZINC000236688722 1022546297 /nfs/dbraw/zinc/54/62/97/1022546297.db2.gz ANLWBKVARQWGDD-UHFFFAOYSA-N 1 1 321.420 3.920 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1ccc(OC)c(Cl)c1)C(C)C ZINC000766856355 1022563374 /nfs/dbraw/zinc/56/33/74/1022563374.db2.gz WOXCHORCIHOXSI-UHFFFAOYSA-N 1 1 310.825 3.574 20 30 DHEDMO Cc1cc(C#N)ccc1C[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000186327950 1022567823 /nfs/dbraw/zinc/56/78/23/1022567823.db2.gz WLGAIHOWQDOJFX-GOSISDBHSA-N 1 1 312.413 3.963 20 30 DHEDMO C=C1CC(c2noc([C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)n2)C1 ZINC000924122266 1022579194 /nfs/dbraw/zinc/57/91/94/1022579194.db2.gz APHPOOQNPFSCSC-RHSMWYFYSA-N 1 1 309.413 3.739 20 30 DHEDMO C#CCCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC000766907105 1022605762 /nfs/dbraw/zinc/60/57/62/1022605762.db2.gz UIASDSMKCXLBFZ-NRFANRHFSA-N 1 1 307.437 3.944 20 30 DHEDMO C#CCCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC000766907106 1022606127 /nfs/dbraw/zinc/60/61/27/1022606127.db2.gz UIASDSMKCXLBFZ-OAQYLSRUSA-N 1 1 307.437 3.944 20 30 DHEDMO C#CCCC[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@H]21 ZINC000766915835 1022608099 /nfs/dbraw/zinc/60/80/99/1022608099.db2.gz IHIIQHJEYOLDCB-IEWDOMPSSA-N 1 1 318.505 3.584 20 30 DHEDMO C#CCCC[N@H+](CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766903435 1022613119 /nfs/dbraw/zinc/61/31/19/1022613119.db2.gz DJSYYTBQVBSTSK-UHFFFAOYSA-N 1 1 308.466 3.511 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](C)C(C)C ZINC000120265783 1022620506 /nfs/dbraw/zinc/62/05/06/1022620506.db2.gz CEIKDTRBKAQJID-LBPRGKRZSA-N 1 1 307.825 3.517 20 30 DHEDMO C[N@@H+](CCc1cccc(NCc2ccc(C#N)s2)c1)C1CC1 ZINC000538451483 1033069630 /nfs/dbraw/zinc/06/96/30/1033069630.db2.gz BOEFXKQSWOBXHT-UHFFFAOYSA-N 1 1 311.454 3.869 20 30 DHEDMO C#CC[N@@H+](Cc1nc(-c2ccccc2F)no1)C1CCCCC1 ZINC000781885844 1022655772 /nfs/dbraw/zinc/65/57/72/1022655772.db2.gz WTEAZFLNQGHKRV-UHFFFAOYSA-N 1 1 313.376 3.644 20 30 DHEDMO C#CC[N@H+](Cc1nc(-c2ccccc2F)no1)C1CCCCC1 ZINC000781885844 1022655776 /nfs/dbraw/zinc/65/57/76/1022655776.db2.gz WTEAZFLNQGHKRV-UHFFFAOYSA-N 1 1 313.376 3.644 20 30 DHEDMO C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)cc(C#N)c1)CCOCC2 ZINC000930823907 1022711620 /nfs/dbraw/zinc/71/16/20/1022711620.db2.gz YJZBDTIERXMBJQ-CYBMUJFWSA-N 1 1 304.821 3.603 20 30 DHEDMO C=CCC[C@H]([NH2+]CCc1c[nH]nn1)c1ccc(C(F)(F)F)cc1 ZINC000660203599 1022717900 /nfs/dbraw/zinc/71/79/00/1022717900.db2.gz FTRLIGHKRWEKEZ-HNNXBMFYSA-N 1 1 324.350 3.663 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001172304907 1033075074 /nfs/dbraw/zinc/07/50/74/1033075074.db2.gz BFPIXKPHWKOJFP-YWZLYKJASA-N 1 1 324.399 3.782 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001172312280 1033079057 /nfs/dbraw/zinc/07/90/57/1033079057.db2.gz GCBOMOHENOZOLU-MGPUTAFESA-N 1 1 324.399 3.782 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCN(C)Cc1ccccc1 ZINC001172313417 1033081770 /nfs/dbraw/zinc/08/17/70/1033081770.db2.gz WONRUBURMXEYNV-SFHVURJKSA-N 1 1 321.468 3.553 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)N(C)CC[N@H+](C)Cc1ccccc1 ZINC001172313417 1033081779 /nfs/dbraw/zinc/08/17/79/1033081779.db2.gz WONRUBURMXEYNV-SFHVURJKSA-N 1 1 321.468 3.553 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@@H]2CSC)c1O ZINC000767770194 1022803250 /nfs/dbraw/zinc/80/32/50/1022803250.db2.gz HHOKOBWKFNSKCK-MRXNPFEDSA-N 1 1 321.486 3.847 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)N(C)CC[N@@H+](C)Cc1ccccc1 ZINC001172313417 1033081791 /nfs/dbraw/zinc/08/17/91/1033081791.db2.gz WONRUBURMXEYNV-SFHVURJKSA-N 1 1 321.468 3.553 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cncc(OCC)c1 ZINC000621712826 1022832820 /nfs/dbraw/zinc/83/28/20/1022832820.db2.gz QGHZGGUZXDOVJO-UHFFFAOYSA-N 1 1 312.413 3.677 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cncc(OCC)c1 ZINC000621712826 1022832836 /nfs/dbraw/zinc/83/28/36/1022832836.db2.gz QGHZGGUZXDOVJO-UHFFFAOYSA-N 1 1 312.413 3.677 20 30 DHEDMO C=C(C)CN(CC)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000856764767 1022857743 /nfs/dbraw/zinc/85/77/43/1022857743.db2.gz MVRFIYHJOXXYGQ-SFHVURJKSA-N 1 1 300.446 3.534 20 30 DHEDMO COc1cc(C[N@H+](CCC#N)CC(C)C)cc(Cl)c1OC ZINC000768153462 1022905224 /nfs/dbraw/zinc/90/52/24/1022905224.db2.gz GOBGYQMHIKKCIY-UHFFFAOYSA-N 1 1 310.825 3.729 20 30 DHEDMO COc1cc(C[N@@H+](CCC#N)CC(C)C)cc(Cl)c1OC ZINC000768153462 1022905232 /nfs/dbraw/zinc/90/52/32/1022905232.db2.gz GOBGYQMHIKKCIY-UHFFFAOYSA-N 1 1 310.825 3.729 20 30 DHEDMO C#CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)cc1 ZINC000768237375 1022934228 /nfs/dbraw/zinc/93/42/28/1022934228.db2.gz MGQNBEVZYITJOM-INIZCTEOSA-N 1 1 309.409 3.900 20 30 DHEDMO C#CCCOc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000768261454 1022935228 /nfs/dbraw/zinc/93/52/28/1022935228.db2.gz CUXQHILNGGDYLV-UHFFFAOYSA-N 1 1 315.363 3.999 20 30 DHEDMO C=CC[N@H+](Cc1cc(OC)c(OC)cc1O)CC1CCCCC1 ZINC000768445730 1022967869 /nfs/dbraw/zinc/96/78/69/1022967869.db2.gz GZCKEPXNRKHPDI-UHFFFAOYSA-N 1 1 319.445 3.978 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1c(O)cccc1OC ZINC000768485704 1022970862 /nfs/dbraw/zinc/97/08/62/1022970862.db2.gz XMZZYZPQUAKJDS-UHFFFAOYSA-N 1 1 310.397 3.685 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ncc(Cl)s1 ZINC000418153120 1022980054 /nfs/dbraw/zinc/98/00/54/1022980054.db2.gz YPGQGLAYOBWLRG-CYBMUJFWSA-N 1 1 303.818 3.835 20 30 DHEDMO CC[N@@H+](Cc1c(O)cccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000768514929 1022984983 /nfs/dbraw/zinc/98/49/83/1022984983.db2.gz MMKRBJBOVXBUOU-AWEZNQCLSA-N 1 1 310.397 3.856 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857332800 1022990648 /nfs/dbraw/zinc/99/06/48/1022990648.db2.gz HHAWBVVPMYWLDW-AQNXPRMDSA-N 1 1 324.468 3.819 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)cnc1F ZINC000876591767 1033098862 /nfs/dbraw/zinc/09/88/62/1033098862.db2.gz CHKTYZNGAMWMDM-UHFFFAOYSA-N 1 1 313.376 3.513 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)cnc1F ZINC000876591767 1033098872 /nfs/dbraw/zinc/09/88/72/1033098872.db2.gz CHKTYZNGAMWMDM-UHFFFAOYSA-N 1 1 313.376 3.513 20 30 DHEDMO C=CCc1c(Cl)ncnc1NCCC[N@@H+]1CCCC[C@H]1C ZINC001167752144 1023032599 /nfs/dbraw/zinc/03/25/99/1023032599.db2.gz SSAURBKPJFKWSN-CYBMUJFWSA-N 1 1 308.857 3.535 20 30 DHEDMO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000695865959 1023037545 /nfs/dbraw/zinc/03/75/45/1023037545.db2.gz VYGQEWQEKJGIMD-PXNSSMCTSA-N 1 1 313.489 3.817 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CCN(C)C)c1ccccc1 ZINC001172296165 1033101500 /nfs/dbraw/zinc/10/15/00/1033101500.db2.gz XQWPYHYGGVNMHR-UTKZUKDTSA-N 1 1 321.468 3.772 20 30 DHEDMO C=CCc1cc(C[N@@H+](CC)CCC(F)(F)F)cc(OC)c1O ZINC000092737712 1023073657 /nfs/dbraw/zinc/07/36/57/1023073657.db2.gz KMGBOTIWKPETAZ-UHFFFAOYSA-N 1 1 317.351 3.904 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c1 ZINC000769240862 1023105824 /nfs/dbraw/zinc/10/58/24/1023105824.db2.gz HAAODWICBQQSNA-QZTJIDSGSA-N 1 1 312.438 3.708 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)ccc1OC ZINC000652063045 1023113462 /nfs/dbraw/zinc/11/34/62/1023113462.db2.gz CDYARAJYHWUHCK-KRWDZBQOSA-N 1 1 323.383 3.881 20 30 DHEDMO C#CCOc1ccccc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000769316346 1023120988 /nfs/dbraw/zinc/12/09/88/1023120988.db2.gz OCNCJYJYGCNJBM-OAQYLSRUSA-N 1 1 321.420 3.662 20 30 DHEDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000769549138 1023177250 /nfs/dbraw/zinc/17/72/50/1023177250.db2.gz OBHFZIBFNZPRCB-AEFFLSMTSA-N 1 1 322.408 3.673 20 30 DHEDMO C#CC[N@H+](CCCP(=O)(OCC)OCC)C1CCCCC1 ZINC000876642819 1033112754 /nfs/dbraw/zinc/11/27/54/1033112754.db2.gz MUWUAOKLQVRBQS-UHFFFAOYSA-N 1 1 315.394 3.911 20 30 DHEDMO C#CC[C@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000769787187 1023214505 /nfs/dbraw/zinc/21/45/05/1023214505.db2.gz PPZBGMOQQSHEHD-INIZCTEOSA-N 1 1 304.315 3.955 20 30 DHEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000769960983 1023246446 /nfs/dbraw/zinc/24/64/46/1023246446.db2.gz JTQCINCYQMPQDD-CQSZACIVSA-N 1 1 314.816 3.768 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000769960983 1023246456 /nfs/dbraw/zinc/24/64/56/1023246456.db2.gz JTQCINCYQMPQDD-CQSZACIVSA-N 1 1 314.816 3.768 20 30 DHEDMO Cc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1C ZINC000770389291 1023304066 /nfs/dbraw/zinc/30/40/66/1023304066.db2.gz FNERPJLOJXJFDB-HXUWFJFHSA-N 1 1 306.409 3.749 20 30 DHEDMO Cc1cccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1C ZINC000770389291 1023304076 /nfs/dbraw/zinc/30/40/76/1023304076.db2.gz FNERPJLOJXJFDB-HXUWFJFHSA-N 1 1 306.409 3.749 20 30 DHEDMO C#CCOc1ccccc1C[NH2+][C@H]1COc2c1ccc(C)c2C ZINC000770429154 1023310746 /nfs/dbraw/zinc/31/07/46/1023310746.db2.gz FNWFNADGMAJTOL-SFHVURJKSA-N 1 1 307.393 3.539 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000198403002 1023352346 /nfs/dbraw/zinc/35/23/46/1023352346.db2.gz PJIUWGNCWQEPBY-QGZVFWFLSA-N 1 1 321.424 3.626 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660931360 1023438058 /nfs/dbraw/zinc/43/80/58/1023438058.db2.gz OXWAFPKWRZSETR-ZOBUZTSGSA-N 1 1 318.486 3.526 20 30 DHEDMO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](c2nccn2C)c2ccccc2F)C1 ZINC000651673668 1023449325 /nfs/dbraw/zinc/44/93/25/1023449325.db2.gz SMYMQVAQARFAHY-RKVPGOIHSA-N 1 1 313.420 3.983 20 30 DHEDMO CC[C@@H]1C[N@@H+](C[C@@H](C)CCC#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000876762644 1033136983 /nfs/dbraw/zinc/13/69/83/1033136983.db2.gz GDWYJKNYLRIVFL-XHSDSOJGSA-N 1 1 323.481 3.551 20 30 DHEDMO CC(C)[N@H+](CCc1nccs1)Cc1cc(C#N)cnc1Cl ZINC000876777707 1033140145 /nfs/dbraw/zinc/14/01/45/1033140145.db2.gz PLCAJFBHIIRUGC-UHFFFAOYSA-N 1 1 320.849 3.516 20 30 DHEDMO CC(C)[N@@H+](CCc1nccs1)Cc1cc(C#N)cnc1Cl ZINC000876777707 1033140149 /nfs/dbraw/zinc/14/01/49/1033140149.db2.gz PLCAJFBHIIRUGC-UHFFFAOYSA-N 1 1 320.849 3.516 20 30 DHEDMO C#CCCC[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000772327255 1023548214 /nfs/dbraw/zinc/54/82/14/1023548214.db2.gz ZMSIHNAHKLIHKD-UHFFFAOYSA-N 1 1 302.468 3.952 20 30 DHEDMO C=CCN(CC1CCCCC1)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001126063360 1023557831 /nfs/dbraw/zinc/55/78/31/1023557831.db2.gz OSPFYEPUPCNPOL-IBGZPJMESA-N 1 1 324.484 3.794 20 30 DHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001172362151 1033141978 /nfs/dbraw/zinc/14/19/78/1033141978.db2.gz SSSCEZFJDHUBFV-CVEARBPZSA-N 1 1 303.512 3.635 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2CC)C1 ZINC000661378531 1023585425 /nfs/dbraw/zinc/58/54/25/1023585425.db2.gz IGFIXYWWGWSAAB-MRXNPFEDSA-N 1 1 300.446 3.784 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000661379808 1023585563 /nfs/dbraw/zinc/58/55/63/1023585563.db2.gz IPCMNTLPKPAQSJ-HOCLYGCPSA-N 1 1 314.429 3.504 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000661379808 1023585569 /nfs/dbraw/zinc/58/55/69/1023585569.db2.gz IPCMNTLPKPAQSJ-HOCLYGCPSA-N 1 1 314.429 3.504 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000876808404 1033147280 /nfs/dbraw/zinc/14/72/80/1033147280.db2.gz QYWOZBZJGJSOJY-IKGGRYGDSA-N 1 1 304.434 3.888 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](OC(C)C)C2)cc(OC)c1O ZINC000651897728 1023621367 /nfs/dbraw/zinc/62/13/67/1023621367.db2.gz JEHSOUKHPLUBSC-QGZVFWFLSA-N 1 1 319.445 3.519 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000538727627 1033149844 /nfs/dbraw/zinc/14/98/44/1033149844.db2.gz JDPZCAHPRSTDRR-UHFFFAOYSA-N 1 1 302.462 3.701 20 30 DHEDMO C[C@@H]1CC(=NOCc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000746575627 1023679154 /nfs/dbraw/zinc/67/91/54/1023679154.db2.gz ABFGJHVZZXSSEK-LLVKDONJSA-N 1 1 300.324 3.692 20 30 DHEDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000093558849 1023773984 /nfs/dbraw/zinc/77/39/84/1023773984.db2.gz SBZIPSIGWHPJSY-HNNXBMFYSA-N 1 1 305.491 3.610 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000787291702 1023780357 /nfs/dbraw/zinc/78/03/57/1023780357.db2.gz WFLXGNVLOJTSRH-NSHDSACASA-N 1 1 307.319 3.549 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000661873196 1023791582 /nfs/dbraw/zinc/79/15/82/1023791582.db2.gz FNZOOKOLVVVAFJ-HKUYNNGSSA-N 1 1 317.860 3.973 20 30 DHEDMO C[C@H](CCC#N)CNc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000876838034 1033164345 /nfs/dbraw/zinc/16/43/45/1033164345.db2.gz VMAMGQIRRAPJIS-IAGOWNOFSA-N 1 1 315.461 3.759 20 30 DHEDMO N#Cc1cccc(N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000709621311 1023831032 /nfs/dbraw/zinc/83/10/32/1023831032.db2.gz WWPMWNPFZWFVRF-LJQANCHMSA-N 1 1 320.440 3.810 20 30 DHEDMO CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598585629 1023854329 /nfs/dbraw/zinc/85/43/29/1023854329.db2.gz HIXWIYPSBXEREC-INIZCTEOSA-N 1 1 308.853 3.851 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000662080183 1023889254 /nfs/dbraw/zinc/88/92/54/1023889254.db2.gz NTXFLRBHUWWAIM-FPMFFAJLSA-N 1 1 322.811 3.989 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000662080183 1023889262 /nfs/dbraw/zinc/88/92/62/1023889262.db2.gz NTXFLRBHUWWAIM-FPMFFAJLSA-N 1 1 322.811 3.989 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000662078248 1023890183 /nfs/dbraw/zinc/89/01/83/1023890183.db2.gz AEOCISGPELNDEW-NONVJHHQSA-N 1 1 316.420 3.574 20 30 DHEDMO CCN(C)c1ccc(C=[NH+]Nc2ccc(Cl)c(OC)c2)cn1 ZINC000788471412 1023890207 /nfs/dbraw/zinc/89/02/07/1023890207.db2.gz ASFAYCZMJJWVQT-UHFFFAOYSA-N 1 1 318.808 3.646 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000662084642 1023891948 /nfs/dbraw/zinc/89/19/48/1023891948.db2.gz UIAQLESRFBCBTF-BHYGNILZSA-N 1 1 309.413 3.904 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000662085363 1023892256 /nfs/dbraw/zinc/89/22/56/1023892256.db2.gz FSEFBIPZVVTXKG-BETUJISGSA-N 1 1 315.804 3.672 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000662085363 1023892260 /nfs/dbraw/zinc/89/22/60/1023892260.db2.gz FSEFBIPZVVTXKG-BETUJISGSA-N 1 1 315.804 3.672 20 30 DHEDMO CC[N@H+](Cc1cnc(Cl)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000788478360 1023892306 /nfs/dbraw/zinc/89/23/06/1023892306.db2.gz IFNPTDAUBBTOFO-GFCCVEGCSA-N 1 1 300.793 3.585 20 30 DHEDMO CC[N@@H+](Cc1cnc(Cl)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000788478360 1023892311 /nfs/dbraw/zinc/89/23/11/1023892311.db2.gz IFNPTDAUBBTOFO-GFCCVEGCSA-N 1 1 300.793 3.585 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(SC)cc1 ZINC000662085593 1023893617 /nfs/dbraw/zinc/89/36/17/1023893617.db2.gz HSLMGZWPEPMURH-GASCZTMLSA-N 1 1 302.443 3.530 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1nc(-c2cccs2)no1 ZINC000662082329 1023895698 /nfs/dbraw/zinc/89/56/98/1023895698.db2.gz TVYPRCIXJYRKKG-OKILXGFUSA-N 1 1 315.442 3.914 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1noc(-c2ccc(F)cc2F)n1 ZINC000662091285 1023901410 /nfs/dbraw/zinc/90/14/10/1023901410.db2.gz WIDYPLMOLTVMRK-BETUJISGSA-N 1 1 317.339 3.698 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1noc(-c2ccc(F)cc2F)n1 ZINC000662091285 1023901417 /nfs/dbraw/zinc/90/14/17/1023901417.db2.gz WIDYPLMOLTVMRK-BETUJISGSA-N 1 1 317.339 3.698 20 30 DHEDMO C#CCOc1ccc(C[NH2+]Cc2cc(F)c(Cl)cc2F)cc1 ZINC000788532590 1023907060 /nfs/dbraw/zinc/90/70/60/1023907060.db2.gz RDZCFNFGTCWTCQ-UHFFFAOYSA-N 1 1 321.754 3.920 20 30 DHEDMO CCSCC[C@H](C)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093870931 1023943557 /nfs/dbraw/zinc/94/35/57/1023943557.db2.gz XXVPIYHNEIGDNB-GJZGRUSLSA-N 1 1 306.475 3.941 20 30 DHEDMO C=CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC001167789383 1023944598 /nfs/dbraw/zinc/94/45/98/1023944598.db2.gz PLHWAHPRHBAPNB-UHFFFAOYSA-N 1 1 308.466 3.818 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000266568065 1024042627 /nfs/dbraw/zinc/04/26/27/1024042627.db2.gz ORZWSKSTXHXFLK-OXQOHEQNSA-N 1 1 322.408 3.551 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000266568065 1024042641 /nfs/dbraw/zinc/04/26/41/1024042641.db2.gz ORZWSKSTXHXFLK-OXQOHEQNSA-N 1 1 322.408 3.551 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000789327023 1024050217 /nfs/dbraw/zinc/05/02/17/1024050217.db2.gz OXCSXGHZNQRCII-QGZVFWFLSA-N 1 1 300.446 3.615 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCc3c2cccc3Cl)n1 ZINC000789329708 1024050284 /nfs/dbraw/zinc/05/02/84/1024050284.db2.gz QYIITJTYGPAKQX-GOSISDBHSA-N 1 1 313.832 3.679 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCc3c2cccc3Cl)n1 ZINC000789329708 1024050303 /nfs/dbraw/zinc/05/03/03/1024050303.db2.gz QYIITJTYGPAKQX-GOSISDBHSA-N 1 1 313.832 3.679 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000562049049 1024082763 /nfs/dbraw/zinc/08/27/63/1024082763.db2.gz DYOUQUSWWLKJTP-HNNXBMFYSA-N 1 1 306.837 3.991 20 30 DHEDMO Cc1nc2sccn2c1C[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000268457425 1024114178 /nfs/dbraw/zinc/11/41/78/1024114178.db2.gz CPJHXZUXCYWXPV-ZDUSSCGKSA-N 1 1 310.426 3.769 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2C[C@@H](C)CCC#N)c(OC)c1 ZINC000602437375 1024135176 /nfs/dbraw/zinc/13/51/76/1024135176.db2.gz VTDXGKLDNVOHLE-WMLDXEAASA-N 1 1 302.418 3.781 20 30 DHEDMO CCn1cc(C(=O)/C=C/c2[nH+]c(C(C)C)n3ccccc23)cn1 ZINC000268620882 1024135692 /nfs/dbraw/zinc/13/56/92/1024135692.db2.gz YPONAUPXBCPLFJ-CMDGGOBGSA-N 1 1 308.385 3.570 20 30 DHEDMO CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000268649416 1024137390 /nfs/dbraw/zinc/13/73/90/1024137390.db2.gz GEWPNOLCRFPVML-QRWLVFNGSA-N 1 1 319.408 3.546 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(Cl)c(C)c2)n1 ZINC000789758218 1024158060 /nfs/dbraw/zinc/15/80/60/1024158060.db2.gz HBGKSPNHYIOMBQ-UHFFFAOYSA-N 1 1 301.821 3.500 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(Cl)c(C)c2)n1 ZINC000789758218 1024158070 /nfs/dbraw/zinc/15/80/70/1024158070.db2.gz HBGKSPNHYIOMBQ-UHFFFAOYSA-N 1 1 301.821 3.500 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)C[C@H](CCC)c2ccccc2)n1 ZINC000789759563 1024158320 /nfs/dbraw/zinc/15/83/20/1024158320.db2.gz VSRIGIQDGFUKGO-IBGZPJMESA-N 1 1 309.457 3.922 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000130455511 1024168041 /nfs/dbraw/zinc/16/80/41/1024168041.db2.gz IZHXSNNDNGABNZ-CYBMUJFWSA-N 1 1 316.351 3.888 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1Cl ZINC000268832794 1024174055 /nfs/dbraw/zinc/17/40/55/1024174055.db2.gz KWLWFZLXMYFZDQ-OAHLLOKOSA-N 1 1 317.820 3.795 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000269044578 1024229375 /nfs/dbraw/zinc/22/93/75/1024229375.db2.gz MFYBKJFECQMQQJ-IBGZPJMESA-N 1 1 321.424 3.665 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCc3cc(F)ccc32)c1 ZINC000876973734 1033194964 /nfs/dbraw/zinc/19/49/64/1033194964.db2.gz OGUYLQUMVINXJP-OAHLLOKOSA-N 1 1 301.752 3.523 20 30 DHEDMO C[N@H+]1CCCC(=NNCc2cccc(Cl)c2Cl)CC1 ZINC000790180573 1024237966 /nfs/dbraw/zinc/23/79/66/1024237966.db2.gz HSWBTEBXCCFOAQ-UHFFFAOYSA-N 1 1 300.233 3.555 20 30 DHEDMO C[C@@H](CCCC#N)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001172486132 1033198273 /nfs/dbraw/zinc/19/82/73/1033198273.db2.gz ZDDCGTDNLCZVGW-FRYIKTPZSA-N 1 1 311.473 3.854 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134281305 1033198765 /nfs/dbraw/zinc/19/87/65/1033198765.db2.gz FADOIWVFVXWIIN-UHFFFAOYSA-N 1 1 308.853 3.854 20 30 DHEDMO C#CCOc1ccc(C[NH2+]C2(c3nc(C)cs3)CCC2)cc1 ZINC000264937985 1033199182 /nfs/dbraw/zinc/19/91/82/1033199182.db2.gz DZBFCIVQZBQPSK-UHFFFAOYSA-N 1 1 312.438 3.633 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C)CC(C)(C)OC)ccc1OC ZINC000538828601 1033199228 /nfs/dbraw/zinc/19/92/28/1033199228.db2.gz PMTNHKKFLCJRPL-UHFFFAOYSA-N 1 1 307.434 3.507 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCSCC[C@@H]2C)c1O ZINC000790476835 1024309537 /nfs/dbraw/zinc/30/95/37/1024309537.db2.gz HFOHIWYSMVWMIH-AWEZNQCLSA-N 1 1 321.486 3.847 20 30 DHEDMO C#CC[C@H]([NH2+]Cc1ccc(Br)o1)c1ccccc1 ZINC000790980901 1024423277 /nfs/dbraw/zinc/42/32/77/1024423277.db2.gz QJCLMRVJNSHGCU-AWEZNQCLSA-N 1 1 304.187 3.896 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1F)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000453378228 1024497716 /nfs/dbraw/zinc/49/77/16/1024497716.db2.gz VVQOQNKVHOWHPY-SUMWQHHRSA-N 1 1 304.434 3.977 20 30 DHEDMO C#CC[C@H]([NH2+]Cc1cc(F)cc2c1OCOC2)c1ccccc1 ZINC000271648344 1024556738 /nfs/dbraw/zinc/55/67/38/1024556738.db2.gz AREWKDJACSIETP-SFHVURJKSA-N 1 1 311.356 3.546 20 30 DHEDMO N#CCC[N@@H+](CCOc1ccccc1C(F)(F)F)CC1CC1 ZINC000348552518 1024562104 /nfs/dbraw/zinc/56/21/04/1024562104.db2.gz LKBVKODKWZNZTM-UHFFFAOYSA-N 1 1 312.335 3.710 20 30 DHEDMO N#CCC[N@H+](CCOc1ccccc1C(F)(F)F)CC1CC1 ZINC000348552518 1024562109 /nfs/dbraw/zinc/56/21/09/1024562109.db2.gz LKBVKODKWZNZTM-UHFFFAOYSA-N 1 1 312.335 3.710 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC000274261985 1024566693 /nfs/dbraw/zinc/56/66/93/1024566693.db2.gz CHBMIJXONSLFMR-KVSKMBFKSA-N 1 1 312.457 3.732 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274320228 1024569003 /nfs/dbraw/zinc/56/90/03/1024569003.db2.gz GFWVGSWMWSKSGV-YQVWRLOYSA-N 1 1 314.473 3.616 20 30 DHEDMO CN(CC[C@H]1CCCC[N@H+]1C)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000585719850 1024573092 /nfs/dbraw/zinc/57/30/92/1024573092.db2.gz VTSCUWAJIQXLIS-SJORKVTESA-N 1 1 305.853 3.711 20 30 DHEDMO N#C[C@H](c1ccc(Cl)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000585719750 1024574535 /nfs/dbraw/zinc/57/45/35/1024574535.db2.gz MWPQCHYQTQWMKE-OAHLLOKOSA-N 1 1 300.793 3.507 20 30 DHEDMO C=CC[N@H+](Cc1cn(C)nc1C(F)F)Cc1ccc(OC)cc1 ZINC000274471985 1024583060 /nfs/dbraw/zinc/58/30/60/1024583060.db2.gz KIIHGCHBIXQTAF-UHFFFAOYSA-N 1 1 321.371 3.555 20 30 DHEDMO C=CC[N@@H+](Cc1cn(C)nc1C(F)F)Cc1ccc(OC)cc1 ZINC000274471985 1024583067 /nfs/dbraw/zinc/58/30/67/1024583067.db2.gz KIIHGCHBIXQTAF-UHFFFAOYSA-N 1 1 321.371 3.555 20 30 DHEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CCOc2ccccc2C#N)s1 ZINC000106877675 1024606686 /nfs/dbraw/zinc/60/66/86/1024606686.db2.gz NPUHWDOBBXOZCC-ZDUSSCGKSA-N 1 1 315.442 3.703 20 30 DHEDMO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000348715435 1024609026 /nfs/dbraw/zinc/60/90/26/1024609026.db2.gz PTLMIBZCLJKVJV-DNVCBOLYSA-N 1 1 323.440 3.879 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCc2ncnc(-c3ccccc3)c2CC1 ZINC001172498330 1033228550 /nfs/dbraw/zinc/22/85/50/1033228550.db2.gz KPIRLIYVCURDLQ-INIZCTEOSA-N 1 1 320.440 3.627 20 30 DHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc2c[nH]nc21 ZINC000348867197 1024635618 /nfs/dbraw/zinc/63/56/18/1024635618.db2.gz HXSQKUAOLRLOEZ-UHFFFAOYSA-N 1 1 323.444 3.919 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001172496545 1033225921 /nfs/dbraw/zinc/22/59/21/1033225921.db2.gz NUJXSBRXASIEMS-CRAIPNDOSA-N 1 1 321.465 3.544 20 30 DHEDMO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1[C@@H](C)CCCC#N ZINC001172496774 1033226046 /nfs/dbraw/zinc/22/60/46/1033226046.db2.gz QLJOHBNGIWEDKM-HOTGVXAUSA-N 1 1 323.481 3.646 20 30 DHEDMO COCC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@@H]1CC[C@H](C)C1 ZINC000792193418 1024645087 /nfs/dbraw/zinc/64/50/87/1024645087.db2.gz VHLBLRSPDRCUNB-LZLYRXPVSA-N 1 1 316.445 3.614 20 30 DHEDMO CCOC(=O)CC[N@@H+](Cc1ccccc1)[C@@H](C)CCCC#N ZINC001172497169 1033226418 /nfs/dbraw/zinc/22/64/18/1033226418.db2.gz ZEHZOWUOZOJURH-INIZCTEOSA-N 1 1 302.418 3.524 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001172496591 1033226484 /nfs/dbraw/zinc/22/64/84/1033226484.db2.gz OISGCTHFFICQEG-CRAIPNDOSA-N 1 1 321.465 3.544 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)cc1F ZINC000792246431 1024652689 /nfs/dbraw/zinc/65/26/89/1024652689.db2.gz IIYWSGOOXDPKSI-UXHICEINSA-N 1 1 324.399 3.785 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001172496807 1033226690 /nfs/dbraw/zinc/22/66/90/1033226690.db2.gz RJVIJZXDFDRSLF-HNNXBMFYSA-N 1 1 321.465 3.544 20 30 DHEDMO CCN(Cc1cc(C#N)cs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000349014838 1024660843 /nfs/dbraw/zinc/66/08/43/1024660843.db2.gz XFTNUTBRUZFYMT-UHFFFAOYSA-N 1 1 313.470 3.703 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCc2ccccc2)Cc2cccnc2)o1 ZINC000349071800 1024670541 /nfs/dbraw/zinc/67/05/41/1024670541.db2.gz HVBFAJIJKDVIEC-UHFFFAOYSA-N 1 1 317.392 3.791 20 30 DHEDMO N#Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)o1 ZINC000349071800 1024670544 /nfs/dbraw/zinc/67/05/44/1024670544.db2.gz HVBFAJIJKDVIEC-UHFFFAOYSA-N 1 1 317.392 3.791 20 30 DHEDMO CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000349144753 1024680640 /nfs/dbraw/zinc/68/06/40/1024680640.db2.gz DCSAZIQQIQICAJ-UHFFFAOYSA-N 1 1 310.445 3.538 20 30 DHEDMO CC(C)([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc(F)c(F)c1 ZINC000877077242 1033229072 /nfs/dbraw/zinc/22/90/72/1033229072.db2.gz AAWWTTGWLAYWLO-UHFFFAOYSA-N 1 1 321.758 3.910 20 30 DHEDMO C[NH+](C)Cc1c(F)cc(NCc2ccc(C#N)s2)cc1F ZINC001170201810 1024699823 /nfs/dbraw/zinc/69/98/23/1024699823.db2.gz MYTKKXSPCRNINW-UHFFFAOYSA-N 1 1 307.369 3.572 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001172500381 1033229336 /nfs/dbraw/zinc/22/93/36/1033229336.db2.gz NCAQJZRDFFUFQP-UGUYLWEFSA-N 1 1 306.450 3.511 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)CCCn2ccnc2)cc1Cl ZINC000349374685 1024707915 /nfs/dbraw/zinc/70/79/15/1024707915.db2.gz ZCEYQPDEJPUTQF-UHFFFAOYSA-N 1 1 319.836 3.623 20 30 DHEDMO CCCCCCCC[C@@H](CC)[NH2+]CCCN1CCN(C)CC1 ZINC001172503538 1033232687 /nfs/dbraw/zinc/23/26/87/1033232687.db2.gz GFIUYKUWIQUZGZ-LJQANCHMSA-N 1 1 311.558 3.743 20 30 DHEDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)C12CCC2 ZINC001170325425 1024744716 /nfs/dbraw/zinc/74/47/16/1024744716.db2.gz ZZQVJWUJLGUAMM-HZPDHXFCSA-N 1 1 304.821 3.601 20 30 DHEDMO C[Si](C)(C)C#CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001170331498 1024747169 /nfs/dbraw/zinc/74/71/69/1024747169.db2.gz VYDUPFZRDKXZPK-LDLYASANSA-N 1 1 312.533 3.610 20 30 DHEDMO C[Si](C)(C)C#CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001170331498 1024747181 /nfs/dbraw/zinc/74/71/81/1024747181.db2.gz VYDUPFZRDKXZPK-LDLYASANSA-N 1 1 312.533 3.610 20 30 DHEDMO C[Si](C)(C)C#C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001170331498 1024747194 /nfs/dbraw/zinc/74/71/94/1024747194.db2.gz VYDUPFZRDKXZPK-LDLYASANSA-N 1 1 312.533 3.610 20 30 DHEDMO COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)[C@@H](C)CCCC#N ZINC001172502789 1033233113 /nfs/dbraw/zinc/23/31/13/1033233113.db2.gz WTQIQUXZKQBTHD-JKSUJKDBSA-N 1 1 304.434 3.614 20 30 DHEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C#N)cc1F)CCC2 ZINC000111312444 1024753305 /nfs/dbraw/zinc/75/33/05/1024753305.db2.gz OEZBXURNFUHORO-INIZCTEOSA-N 1 1 315.417 3.972 20 30 DHEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(C#N)cc1F)CCC2 ZINC000111312444 1024753313 /nfs/dbraw/zinc/75/33/13/1024753313.db2.gz OEZBXURNFUHORO-INIZCTEOSA-N 1 1 315.417 3.972 20 30 DHEDMO CCO[C@@H]1CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170386280 1024759561 /nfs/dbraw/zinc/75/95/61/1024759561.db2.gz CWMZOTQJIWXANS-IOJLRTSASA-N 1 1 312.457 3.891 20 30 DHEDMO C[N@@H+](Cc1nccs1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170394865 1024761713 /nfs/dbraw/zinc/76/17/13/1024761713.db2.gz CTJITCZIZKLHSR-UHFFFAOYSA-N 1 1 311.454 3.979 20 30 DHEDMO C[C@@]1(O)CCCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170378428 1024765226 /nfs/dbraw/zinc/76/52/26/1024765226.db2.gz AUVVQLPJIPDASM-IOJLRTSASA-N 1 1 312.457 3.627 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@H]3OCCC[C@@H]3C2)CC1 ZINC001170378765 1024765801 /nfs/dbraw/zinc/76/58/01/1024765801.db2.gz KNJYLFBOFKTCHW-PPXMBRMGSA-N 1 1 324.468 3.891 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+](C)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001172508683 1033237479 /nfs/dbraw/zinc/23/74/79/1033237479.db2.gz GBALBMUWFKXBDP-OAHLLOKOSA-N 1 1 323.481 3.790 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@H]3CCCO[C@H]3C2)CC1 ZINC001170382874 1024768071 /nfs/dbraw/zinc/76/80/71/1024768071.db2.gz GDBFJBDPWPXHSV-PPXMBRMGSA-N 1 1 324.468 3.891 20 30 DHEDMO CC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C)CCCC#N ZINC001172508001 1033237717 /nfs/dbraw/zinc/23/77/17/1033237717.db2.gz ASCNFLNPKAQIPU-JKSUJKDBSA-N 1 1 323.481 3.648 20 30 DHEDMO CCCCCCCC[C@@H](CC)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001172505785 1033234398 /nfs/dbraw/zinc/23/43/98/1033234398.db2.gz UXHNYVJEAABNTF-LJQANCHMSA-N 1 1 311.558 3.695 20 30 DHEDMO CCCCCCCC[C@@H](CC)[N@H+](C)CCN1CCN(C)CC1 ZINC001172505785 1033234406 /nfs/dbraw/zinc/23/44/06/1033234406.db2.gz UXHNYVJEAABNTF-LJQANCHMSA-N 1 1 311.558 3.695 20 30 DHEDMO CCCCCCCC[C@@H](CC)[N@@H+](C)CCN1CCN(C)CC1 ZINC001172505785 1033234417 /nfs/dbraw/zinc/23/44/17/1033234417.db2.gz UXHNYVJEAABNTF-LJQANCHMSA-N 1 1 311.558 3.695 20 30 DHEDMO COc1ccccc1O[C@H]1CCC[N@H+]([C@H](C)CCCC#N)C1 ZINC001172507263 1033234572 /nfs/dbraw/zinc/23/45/72/1033234572.db2.gz RMGYHTCDELBBAU-CVEARBPZSA-N 1 1 302.418 3.621 20 30 DHEDMO CCCCCCCC[C@@H](CC)[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001172505498 1033234871 /nfs/dbraw/zinc/23/48/71/1033234871.db2.gz OEVHIHLYDQCHJI-CVEARBPZSA-N 1 1 303.512 3.635 20 30 DHEDMO N#C[C@@H]1CCC[C@@H](N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000618568733 1024836142 /nfs/dbraw/zinc/83/61/42/1024836142.db2.gz ZZYRVTBRJUTPHQ-RLLQIKCJSA-N 1 1 311.473 3.886 20 30 DHEDMO N#C[C@@H]1CCC[C@H](N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000618568735 1024837480 /nfs/dbraw/zinc/83/74/80/1024837480.db2.gz ZZYRVTBRJUTPHQ-YZGWKJHDSA-N 1 1 311.473 3.886 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000350733138 1024847677 /nfs/dbraw/zinc/84/76/77/1024847677.db2.gz XQVFZXONWRFXQD-GDBMZVCRSA-N 1 1 315.465 3.724 20 30 DHEDMO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000350733138 1024847700 /nfs/dbraw/zinc/84/77/00/1024847700.db2.gz XQVFZXONWRFXQD-GDBMZVCRSA-N 1 1 315.465 3.724 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000350733138 1024847719 /nfs/dbraw/zinc/84/77/19/1024847719.db2.gz XQVFZXONWRFXQD-GDBMZVCRSA-N 1 1 315.465 3.724 20 30 DHEDMO C=C(C)CN1c2ccccc2[C@@]2(CC[N@H+](C[C@@H](C)CC)C2)C1=O ZINC001275070258 1024904260 /nfs/dbraw/zinc/90/42/60/1024904260.db2.gz XQEUWSYHSJSODK-JXFKEZNVSA-N 1 1 312.457 3.599 20 30 DHEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCCCCCC ZINC001275114201 1024920025 /nfs/dbraw/zinc/92/00/25/1024920025.db2.gz KTZAZIGRROLZFO-QZTJIDSGSA-N 1 1 306.494 3.988 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CC[N@H+](CCCCCCCC)C2)C1=O ZINC001275113601 1024921330 /nfs/dbraw/zinc/92/13/30/1024921330.db2.gz GJWANDXKQKKBOA-LJQANCHMSA-N 1 1 306.494 3.847 20 30 DHEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C)c(C#N)c1 ZINC001139726905 1024956628 /nfs/dbraw/zinc/95/66/28/1024956628.db2.gz BGAMSWQIORBTTK-UHFFFAOYSA-N 1 1 307.441 3.955 20 30 DHEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1cccc2[nH]ccc21 ZINC000353305072 1025020016 /nfs/dbraw/zinc/02/00/16/1025020016.db2.gz ATDSYLJBVDFMFI-UHFFFAOYSA-N 1 1 305.381 3.550 20 30 DHEDMO CC#CCCNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000353394156 1025053639 /nfs/dbraw/zinc/05/36/39/1025053639.db2.gz DJYHQITYMAQRJG-UHFFFAOYSA-N 1 1 324.428 3.590 20 30 DHEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000191481552 1025110461 /nfs/dbraw/zinc/11/04/61/1025110461.db2.gz GWZJWRRZNXNRPC-FQEVSTJZSA-N 1 1 308.425 3.556 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCc3ccsc3C2)cc1OC ZINC000353676844 1025196543 /nfs/dbraw/zinc/19/65/43/1025196543.db2.gz XCVMBRXBOQZMGL-UHFFFAOYSA-N 1 1 315.438 3.880 20 30 DHEDMO CN(Cc1ccccc1C#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000351963719 1025226643 /nfs/dbraw/zinc/22/66/43/1025226643.db2.gz GNWBYSHSVOOELS-OAQYLSRUSA-N 1 1 319.452 3.655 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)Cc2cccc(C)n2)cc1OC ZINC000353765395 1025241423 /nfs/dbraw/zinc/24/14/23/1025241423.db2.gz CSCZWMCSPSJVEQ-UHFFFAOYSA-N 1 1 312.413 3.595 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cccc(C)n2)cc1OC ZINC000353765395 1025241435 /nfs/dbraw/zinc/24/14/35/1025241435.db2.gz CSCZWMCSPSJVEQ-UHFFFAOYSA-N 1 1 312.413 3.595 20 30 DHEDMO N#CCc1ccc(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000859926257 1033270160 /nfs/dbraw/zinc/27/01/60/1033270160.db2.gz NQPXFNYFTBNGGZ-PCCBWWKXSA-N 1 1 302.421 3.988 20 30 DHEDMO N#C[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001142401220 1025315726 /nfs/dbraw/zinc/31/57/26/1025315726.db2.gz AJFJUJWNUIDHEW-NSHDSACASA-N 1 1 318.218 3.666 20 30 DHEDMO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001142401220 1025315735 /nfs/dbraw/zinc/31/57/35/1025315735.db2.gz AJFJUJWNUIDHEW-NSHDSACASA-N 1 1 318.218 3.666 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001142402043 1025317121 /nfs/dbraw/zinc/31/71/21/1025317121.db2.gz NEMHUVJAGPLKPW-GFCCVEGCSA-N 1 1 317.230 3.776 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000932079132 1025340840 /nfs/dbraw/zinc/34/08/40/1025340840.db2.gz NYYORSKSJCKHAE-GXFFZTMASA-N 1 1 300.349 3.599 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000932079132 1025340853 /nfs/dbraw/zinc/34/08/53/1025340853.db2.gz NYYORSKSJCKHAE-GXFFZTMASA-N 1 1 300.349 3.599 20 30 DHEDMO C#C[C@H](NC(=O)c1ccc(C[N@H+](CC)CCC)cc1)C(C)(C)C ZINC001129738595 1025404488 /nfs/dbraw/zinc/40/44/88/1025404488.db2.gz JEIUDYFCFAQOIV-SFHVURJKSA-N 1 1 314.473 3.696 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC000885937897 1025411889 /nfs/dbraw/zinc/41/18/89/1025411889.db2.gz MKDORPFJLCRKAZ-DLBZAZTESA-N 1 1 318.848 3.922 20 30 DHEDMO CC[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@H](C)c1cccc(OC)c1 ZINC000885965395 1025421144 /nfs/dbraw/zinc/42/11/44/1025421144.db2.gz MWCHFQBGPNEQTD-WBVHZDCISA-N 1 1 316.445 3.523 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCc3sccc3C2)c1 ZINC000124280858 1025422534 /nfs/dbraw/zinc/42/25/34/1025422534.db2.gz BLVOFNGMDLVMKP-UHFFFAOYSA-N 1 1 312.438 3.989 20 30 DHEDMO C=CCCCCC[N@H+]1CCC[C@]2(CCN(CC=C)C2=O)CC1 ZINC001275325604 1025427617 /nfs/dbraw/zinc/42/76/17/1025427617.db2.gz PRXDLMOROFXUIM-LJQANCHMSA-N 1 1 304.478 3.623 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CCC1 ZINC000886006879 1025436466 /nfs/dbraw/zinc/43/64/66/1025436466.db2.gz YDHGJMUNCPEPEP-DOTOQJQBSA-N 1 1 318.848 3.574 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCCCC[C@@H]2c2ccco2)CCC1 ZINC000886014759 1025439434 /nfs/dbraw/zinc/43/94/34/1025439434.db2.gz OYSVSXNMYNFFME-HZPDHXFCSA-N 1 1 302.418 3.642 20 30 DHEDMO Cc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)CC2(C#N)CCC2)o1 ZINC000886017055 1025440260 /nfs/dbraw/zinc/44/02/60/1025440260.db2.gz RCTUJZLGGIZEJI-IAGOWNOFSA-N 1 1 316.445 3.950 20 30 DHEDMO C=CCCCCCC[N@@H+]1CCC[C@@]12CCN([C@@H](C)CC)C2=O ZINC001275329300 1025441048 /nfs/dbraw/zinc/44/10/48/1025441048.db2.gz RSJOXEKORNFVOF-HKUYNNGSSA-N 1 1 306.494 3.988 20 30 DHEDMO C=CCCCCCC[N@@H+]1CCC[C@]12CCN(CC(C)C)C2=O ZINC001275329592 1025441159 /nfs/dbraw/zinc/44/11/59/1025441159.db2.gz ASFAEXDSFNQPTR-LJQANCHMSA-N 1 1 306.494 3.846 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](F)CC2)c(Br)c1 ZINC001137632883 1025448507 /nfs/dbraw/zinc/44/85/07/1025448507.db2.gz NVNBXZLAVRNIEG-CYBMUJFWSA-N 1 1 311.198 3.645 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1CCCCCC1 ZINC000354556246 1025455091 /nfs/dbraw/zinc/45/50/91/1025455091.db2.gz BXCLAWRRTSZVFH-OAHLLOKOSA-N 1 1 306.475 3.527 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1CCCCCC1 ZINC000354556246 1025455097 /nfs/dbraw/zinc/45/50/97/1025455097.db2.gz BXCLAWRRTSZVFH-OAHLLOKOSA-N 1 1 306.475 3.527 20 30 DHEDMO C=CCCCCCCC[N@@H+]1CCC[C@@]2(CCN(C)C2=O)CC1 ZINC001275336347 1025455325 /nfs/dbraw/zinc/45/53/25/1025455325.db2.gz BOQQZZVFCOJLFW-LJQANCHMSA-N 1 1 306.494 3.847 20 30 DHEDMO Cc1csc([C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000237583308 1025457240 /nfs/dbraw/zinc/45/72/40/1025457240.db2.gz ADYZLKPPSDJGQW-CHWSQXEVSA-N 1 1 301.415 3.593 20 30 DHEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000126002720 1025498411 /nfs/dbraw/zinc/49/84/11/1025498411.db2.gz YESOMLBZRVFHCZ-NEPJUHHUSA-N 1 1 311.307 3.679 20 30 DHEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886207515 1025557014 /nfs/dbraw/zinc/55/70/14/1025557014.db2.gz FENJDFUWNZDGRC-FUHWJXTLSA-N 1 1 316.445 3.523 20 30 DHEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172616856 1033291463 /nfs/dbraw/zinc/29/14/63/1033291463.db2.gz OMCIDZGOXPVUAT-QZTJIDSGSA-N 1 1 301.430 3.797 20 30 DHEDMO Cc1cc([C@H]2C[N@H+](CCCC(C)(C)C#N)CCO2)ccc1F ZINC000128458872 1025580773 /nfs/dbraw/zinc/58/07/73/1025580773.db2.gz CIBGCCXLOKAOPF-QGZVFWFLSA-N 1 1 304.409 3.837 20 30 DHEDMO Cc1cc([C@H]2C[N@@H+](CCCC(C)(C)C#N)CCO2)ccc1F ZINC000128458872 1025580785 /nfs/dbraw/zinc/58/07/85/1025580785.db2.gz CIBGCCXLOKAOPF-QGZVFWFLSA-N 1 1 304.409 3.837 20 30 DHEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000886355436 1025603749 /nfs/dbraw/zinc/60/37/49/1025603749.db2.gz IQZNACRBLLOARO-DLBZAZTESA-N 1 1 312.457 3.791 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000893951502 1025621826 /nfs/dbraw/zinc/62/18/26/1025621826.db2.gz HUTQKEBGZUFGQG-UHFFFAOYSA-N 1 1 320.396 3.552 20 30 DHEDMO CC[N@@H+](Cc1ccc2oc(=O)oc2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000893950827 1025622510 /nfs/dbraw/zinc/62/25/10/1025622510.db2.gz BZAYXOMHLYGURA-CYBMUJFWSA-N 1 1 322.364 3.841 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C)C1CCC(C)CC1)Cc1ccccc1 ZINC000355243331 1025652909 /nfs/dbraw/zinc/65/29/09/1025652909.db2.gz SCDROGTXYIHHFM-UHFFFAOYSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)C1CCC(C)CC1)Cc1ccccc1 ZINC000355243331 1025652932 /nfs/dbraw/zinc/65/29/32/1025652932.db2.gz SCDROGTXYIHHFM-UHFFFAOYSA-N 1 1 314.473 3.712 20 30 DHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)O[C@H](C#N)C(C)C)cc1 ZINC000805873831 1025696142 /nfs/dbraw/zinc/69/61/42/1025696142.db2.gz SLIUSQCSGISZEI-QGZVFWFLSA-N 1 1 302.418 3.623 20 30 DHEDMO CC[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CCN1Cc1ccccc1 ZINC000355369490 1025697651 /nfs/dbraw/zinc/69/76/51/1025697651.db2.gz RDFLWRURPZTQPG-LJQANCHMSA-N 1 1 313.489 3.913 20 30 DHEDMO C#CC[N@H+](C)[C@@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170491491 1025704078 /nfs/dbraw/zinc/70/40/78/1025704078.db2.gz JYYQNGOIOPQSQS-MUJYYYPQSA-N 1 1 308.466 3.508 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](CN[C@H](C)c1cncc(F)c1)C(C)C ZINC000152071184 1025716441 /nfs/dbraw/zinc/71/64/41/1025716441.db2.gz ZODXIIJCBCUHRY-CRAIPNDOSA-N 1 1 305.441 3.570 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CN[C@@H](C)c1cncc(F)c1)C(C)C ZINC000152071108 1025718084 /nfs/dbraw/zinc/71/80/84/1025718084.db2.gz ZODXIIJCBCUHRY-YJBOKZPZSA-N 1 1 305.441 3.570 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617661 1025743766 /nfs/dbraw/zinc/74/37/66/1025743766.db2.gz VGUZWWIWQSHMIX-HOCLYGCPSA-N 1 1 324.346 3.731 20 30 DHEDMO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1ccccc1SCC#N ZINC000072607252 1025760844 /nfs/dbraw/zinc/76/08/44/1025760844.db2.gz KEHZVUKSFXBAID-ZIAGYGMSSA-N 1 1 317.458 3.504 20 30 DHEDMO N#CCSCCC[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000133285375 1025770896 /nfs/dbraw/zinc/77/08/96/1025770896.db2.gz XTBFZBZNJUNQSM-CQSZACIVSA-N 1 1 324.877 3.830 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000614160919 1025779740 /nfs/dbraw/zinc/77/97/40/1025779740.db2.gz UJAUUNWHMGVKNH-INIZCTEOSA-N 1 1 308.429 3.590 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000614160919 1025779749 /nfs/dbraw/zinc/77/97/49/1025779749.db2.gz UJAUUNWHMGVKNH-INIZCTEOSA-N 1 1 308.429 3.590 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000614160919 1025779766 /nfs/dbraw/zinc/77/97/66/1025779766.db2.gz UJAUUNWHMGVKNH-INIZCTEOSA-N 1 1 308.429 3.590 20 30 DHEDMO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614167419 1025790271 /nfs/dbraw/zinc/79/02/71/1025790271.db2.gz MCGQIAUVHLGZBF-GOSISDBHSA-N 1 1 300.446 3.735 20 30 DHEDMO CSc1ccc(C[NH2+][C@H](C)c2nc(C)cs2)cc1C#N ZINC000886692126 1025797849 /nfs/dbraw/zinc/79/78/49/1025797849.db2.gz SODYJRZFBVTAGF-LLVKDONJSA-N 1 1 303.456 3.896 20 30 DHEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171616 1025801136 /nfs/dbraw/zinc/80/11/36/1025801136.db2.gz VJACCSZEGFZUJQ-IBGZPJMESA-N 1 1 322.456 3.867 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000429895553 1025803588 /nfs/dbraw/zinc/80/35/88/1025803588.db2.gz LWPIAKMUTQLWFB-WBVHZDCISA-N 1 1 300.446 3.540 20 30 DHEDMO Cc1cc(NCc2ccc(C#N)o2)c[nH+]c1N1CCCC[C@H]1C ZINC000355742299 1025825731 /nfs/dbraw/zinc/82/57/31/1025825731.db2.gz SSCSAXAJUAUNCQ-CQSZACIVSA-N 1 1 310.401 3.846 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000135133800 1025830934 /nfs/dbraw/zinc/83/09/34/1025830934.db2.gz HCEPHMFYMAZCHS-MRXNPFEDSA-N 1 1 308.429 3.590 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000135133800 1025830955 /nfs/dbraw/zinc/83/09/55/1025830955.db2.gz HCEPHMFYMAZCHS-MRXNPFEDSA-N 1 1 308.429 3.590 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000135133800 1025830972 /nfs/dbraw/zinc/83/09/72/1025830972.db2.gz HCEPHMFYMAZCHS-MRXNPFEDSA-N 1 1 308.429 3.590 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2csc(-c3ccc(C)o3)n2)CC1 ZINC000886762012 1025881172 /nfs/dbraw/zinc/88/11/72/1025881172.db2.gz PHTQGNHGQQFYGE-UHFFFAOYSA-N 1 1 318.442 3.615 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2coc(-c3ccc(C)cc3)n2)CC1 ZINC000886757246 1025881316 /nfs/dbraw/zinc/88/13/16/1025881316.db2.gz AOUWQWPLVGJHTP-UHFFFAOYSA-N 1 1 312.413 3.553 20 30 DHEDMO C[C@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1ccc(C#N)cc1F ZINC000453277109 1025887011 /nfs/dbraw/zinc/88/70/11/1025887011.db2.gz AMZQEORTUMQGAO-JTQLQIEISA-N 1 1 323.293 3.962 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2ncc(-c3ccc(C)cc3)o2)CC1 ZINC000886766367 1025887476 /nfs/dbraw/zinc/88/74/76/1025887476.db2.gz INYHSKPCMOIABK-UHFFFAOYSA-N 1 1 312.413 3.553 20 30 DHEDMO C=CCCC1(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000355983573 1025910550 /nfs/dbraw/zinc/91/05/50/1025910550.db2.gz HLCYMXGSMNCXNW-UHFFFAOYSA-N 1 1 314.473 3.889 20 30 DHEDMO CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H]1CCCO1 ZINC000356052779 1025930966 /nfs/dbraw/zinc/93/09/66/1025930966.db2.gz IEMXQQMEMHPDMG-AWEZNQCLSA-N 1 1 312.335 3.578 20 30 DHEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000614219127 1025935116 /nfs/dbraw/zinc/93/51/16/1025935116.db2.gz ZEOPQBHBEPOGHN-RDTXWAMCSA-N 1 1 308.429 3.673 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c(C(F)(F)F)c1 ZINC000886816215 1025939405 /nfs/dbraw/zinc/93/94/05/1025939405.db2.gz PIOJQKTTYNDKNM-GOEBONIOSA-N 1 1 324.346 3.578 20 30 DHEDMO C[N@@H+](Cc1nc(C#N)cs1)C1CCC(C(F)(F)F)CC1 ZINC000356331470 1026023724 /nfs/dbraw/zinc/02/37/24/1026023724.db2.gz DJCMNOJJVDFQBW-UHFFFAOYSA-N 1 1 303.353 3.568 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)Cc1csc(-c2ccsc2)n1 ZINC000411640910 1026081861 /nfs/dbraw/zinc/08/18/61/1026081861.db2.gz LDUTYDUVZYHCNC-UHFFFAOYSA-N 1 1 321.515 3.811 20 30 DHEDMO C=CCCCCCCNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000807571289 1026083727 /nfs/dbraw/zinc/08/37/27/1026083727.db2.gz IBCDGCZNSBFQJH-KRWDZBQOSA-N 1 1 309.498 3.639 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2OC)C2CC2)cc1 ZINC000120493598 1026089404 /nfs/dbraw/zinc/08/94/04/1026089404.db2.gz UDOBYFRWYMRAAD-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO CC[N@@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCOC(C)(C)C1 ZINC000289640063 1026111671 /nfs/dbraw/zinc/11/16/71/1026111671.db2.gz CYBFGVHNAIIHHN-INIZCTEOSA-N 1 1 311.429 3.590 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@@H+](CCC3CCCCC3)CC2)C1=O ZINC001275500390 1026143609 /nfs/dbraw/zinc/14/36/09/1026143609.db2.gz GBRJERCPHOOHAN-HXUWFJFHSA-N 1 1 318.505 3.847 20 30 DHEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000532968057 1026154685 /nfs/dbraw/zinc/15/46/85/1026154685.db2.gz QIJMQEGWCSKOFU-QAPCUYQASA-N 1 1 313.445 3.787 20 30 DHEDMO CN(C)c1ccc(C=[NH+]NCC2CCCC2)c(C(F)(F)F)c1 ZINC000808005593 1026175148 /nfs/dbraw/zinc/17/51/48/1026175148.db2.gz GXEKYRJIMDLSSY-UHFFFAOYSA-N 1 1 313.367 3.885 20 30 DHEDMO CC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCOC(C)(C)C1 ZINC000289813882 1026186050 /nfs/dbraw/zinc/18/60/50/1026186050.db2.gz NSADVTGLHFELGU-INIZCTEOSA-N 1 1 306.837 3.991 20 30 DHEDMO N#Cc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000265531025 1026209512 /nfs/dbraw/zinc/20/95/12/1026209512.db2.gz NNOHJJVCUFIRAV-YQQQUEKLSA-N 1 1 318.424 3.561 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@@H](C3CC3)C2)c1O ZINC000808230541 1026230609 /nfs/dbraw/zinc/23/06/09/1026230609.db2.gz KGVICEZCFQMXGN-MRXNPFEDSA-N 1 1 301.430 3.751 20 30 DHEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cnccc1C#N ZINC000398051036 1026284144 /nfs/dbraw/zinc/28/41/44/1026284144.db2.gz XSNVTRAQCVPJFH-LJQANCHMSA-N 1 1 308.429 3.522 20 30 DHEDMO CC[N@H+](Cc1ccc(C#N)cc1C)C[C@H]1COc2ccccc2O1 ZINC000614395984 1026290022 /nfs/dbraw/zinc/29/00/22/1026290022.db2.gz ILCYCFUZYJNTSB-SFHVURJKSA-N 1 1 322.408 3.529 20 30 DHEDMO COc1ccc2c(c1)CCC[N@H+](Cc1ccc(C#N)cc1C)C2 ZINC000614397252 1026291406 /nfs/dbraw/zinc/29/14/06/1026291406.db2.gz GDZMUGDASLUELC-UHFFFAOYSA-N 1 1 306.409 3.824 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000614401746 1026296469 /nfs/dbraw/zinc/29/64/69/1026296469.db2.gz BTZKIKYVFAIMJB-NRFANRHFSA-N 1 1 320.436 3.739 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000614402909 1026298478 /nfs/dbraw/zinc/29/84/78/1026298478.db2.gz YTRXNEIXILPSRE-NRFANRHFSA-N 1 1 322.452 3.886 20 30 DHEDMO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000614403901 1026299266 /nfs/dbraw/zinc/29/92/66/1026299266.db2.gz YSAYYXAXLHIARN-UHFFFAOYSA-N 1 1 310.426 3.516 20 30 DHEDMO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc(C#N)cc1C ZINC000614403901 1026299278 /nfs/dbraw/zinc/29/92/78/1026299278.db2.gz YSAYYXAXLHIARN-UHFFFAOYSA-N 1 1 310.426 3.516 20 30 DHEDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000513270686 1026467798 /nfs/dbraw/zinc/46/77/98/1026467798.db2.gz GLLLZJWTJRFKKV-KXBFYZLASA-N 1 1 319.408 3.580 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@]2(CCC[C@H]2C(=O)N(C)C)C1 ZINC001279870278 1026519653 /nfs/dbraw/zinc/51/96/53/1026519653.db2.gz AJDSCMLQNOQAML-PKOBYXMFSA-N 1 1 308.510 3.927 20 30 DHEDMO CN(CCC#N)c1ccc(CNc2ccc3[nH]c[nH+]c3c2)cc1 ZINC000809423793 1026523807 /nfs/dbraw/zinc/52/38/07/1026523807.db2.gz UCMUYGIVHVHNHR-UHFFFAOYSA-N 1 1 305.385 3.525 20 30 DHEDMO C[C@H](CC#N)[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809566489 1026550916 /nfs/dbraw/zinc/55/09/16/1026550916.db2.gz MCPYSLHPJSGFGI-QGZVFWFLSA-N 1 1 319.452 3.983 20 30 DHEDMO C[C@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809566489 1026550925 /nfs/dbraw/zinc/55/09/25/1026550925.db2.gz MCPYSLHPJSGFGI-QGZVFWFLSA-N 1 1 319.452 3.983 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000809546585 1026557468 /nfs/dbraw/zinc/55/74/68/1026557468.db2.gz BLIQNUHLYHZQKE-IBGZPJMESA-N 1 1 311.812 3.895 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000809546585 1026557471 /nfs/dbraw/zinc/55/74/71/1026557471.db2.gz BLIQNUHLYHZQKE-IBGZPJMESA-N 1 1 311.812 3.895 20 30 DHEDMO C#Cc1ccc(C[NH2+]CC(C)(C)N[C@@H](C)c2ccccc2)cc1 ZINC000809618494 1026565374 /nfs/dbraw/zinc/56/53/74/1026565374.db2.gz KTXXPQIWMJQGEC-KRWDZBQOSA-N 1 1 306.453 3.887 20 30 DHEDMO C#C[C@H](C)[NH2+]Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000809683682 1026593547 /nfs/dbraw/zinc/59/35/47/1026593547.db2.gz KHOBKBGUAQTUGT-JTQLQIEISA-N 1 1 308.212 3.599 20 30 DHEDMO C#CCOc1ccc(C[N@@H+](CCC)CCc2ccccn2)cc1 ZINC000809734993 1026598123 /nfs/dbraw/zinc/59/81/23/1026598123.db2.gz VEOXCIAKQQBPPR-UHFFFAOYSA-N 1 1 308.425 3.548 20 30 DHEDMO C#CC[N@@H+](Cc1c[nH]nc1-c1ccsc1)Cc1ccccc1 ZINC000809717228 1026603208 /nfs/dbraw/zinc/60/32/08/1026603208.db2.gz FGBOAZJIJNBWMY-UHFFFAOYSA-N 1 1 307.422 3.774 20 30 DHEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000810042687 1026666716 /nfs/dbraw/zinc/66/67/16/1026666716.db2.gz FDTQXBQMYCNOSR-QGZVFWFLSA-N 1 1 316.445 3.607 20 30 DHEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000810247097 1026729039 /nfs/dbraw/zinc/72/90/39/1026729039.db2.gz RMSKKUONTYDUFW-RVKKMQEKSA-N 1 1 310.482 3.824 20 30 DHEDMO C=CCC[C@@H](C(=O)O[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000810613970 1026807769 /nfs/dbraw/zinc/80/77/69/1026807769.db2.gz BZUHMYNJXXBMRD-MAUKXSAKSA-N 1 1 312.413 3.873 20 30 DHEDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CCCC(C)(C)C#N ZINC000420926012 1026879826 /nfs/dbraw/zinc/87/98/26/1026879826.db2.gz MPEBLIRRJNRYMG-CABCVRRESA-N 1 1 308.466 3.759 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c1F ZINC000420944271 1026887496 /nfs/dbraw/zinc/88/74/96/1026887496.db2.gz JIZCCZKFJWKUPX-LLVKDONJSA-N 1 1 300.299 3.862 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)c1F ZINC000420944271 1026887504 /nfs/dbraw/zinc/88/75/04/1026887504.db2.gz JIZCCZKFJWKUPX-LLVKDONJSA-N 1 1 300.299 3.862 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420952706 1026890163 /nfs/dbraw/zinc/89/01/63/1026890163.db2.gz SFVPBDXSQLWHAP-CYBMUJFWSA-N 1 1 312.335 3.731 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000137192785 1026998326 /nfs/dbraw/zinc/99/83/26/1026998326.db2.gz JHCVXKBEOOVYOU-GJZGRUSLSA-N 1 1 318.486 3.881 20 30 DHEDMO C=CCCc1ccccc1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000811495547 1027012391 /nfs/dbraw/zinc/01/23/91/1027012391.db2.gz DSLZDCYWKWUYFI-LJQANCHMSA-N 1 1 318.436 3.956 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000811517049 1027018494 /nfs/dbraw/zinc/01/84/94/1027018494.db2.gz GVLHDYQYRGIWQY-MRXNPFEDSA-N 1 1 313.784 3.575 20 30 DHEDMO C[C@@H]1C(=NOCCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000811648542 1027048639 /nfs/dbraw/zinc/04/86/39/1027048639.db2.gz MMKOTULOJPXXPH-GFCCVEGCSA-N 1 1 300.324 3.606 20 30 DHEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(Cl)c1F ZINC000421896449 1027083535 /nfs/dbraw/zinc/08/35/35/1027083535.db2.gz ZNQDABJEANTPGG-CQSZACIVSA-N 1 1 324.808 3.890 20 30 DHEDMO C#CC1(NC(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CCCC1 ZINC001133023870 1027090228 /nfs/dbraw/zinc/09/02/28/1027090228.db2.gz FCWAXDMGPCOPQE-UHFFFAOYSA-N 1 1 312.457 3.593 20 30 DHEDMO CCn1nc(C)c(C[N@@H+](C)Cc2c(C)cc(C#N)cc2C)c1C ZINC000931379871 1027105381 /nfs/dbraw/zinc/10/53/81/1027105381.db2.gz LLEWSOKEGQWRHE-UHFFFAOYSA-N 1 1 310.445 3.640 20 30 DHEDMO COCC[N@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CC=CCC1 ZINC000362261434 1027119662 /nfs/dbraw/zinc/11/96/62/1027119662.db2.gz LPDRULUZRHPTOT-OAHLLOKOSA-N 1 1 302.393 3.502 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000362300402 1027136501 /nfs/dbraw/zinc/13/65/01/1027136501.db2.gz UNSMUCFLTMWYTJ-OAHLLOKOSA-N 1 1 310.372 3.695 20 30 DHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CCOc2ccc(C#N)cc2)C1 ZINC000362383740 1027171587 /nfs/dbraw/zinc/17/15/87/1027171587.db2.gz AHAOMWULHSGSTI-DOTOQJQBSA-N 1 1 304.459 3.543 20 30 DHEDMO C#C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812794400 1027423409 /nfs/dbraw/zinc/42/34/09/1027423409.db2.gz ZYLRPLHBEFTWJE-WVRJYTFGSA-N 1 1 310.328 3.711 20 30 DHEDMO C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000932275397 1027437477 /nfs/dbraw/zinc/43/74/77/1027437477.db2.gz PGDYTZQCGRORCF-BHIYHBOVSA-N 1 1 312.457 3.699 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1C)[C@H](C)[C@H](O)c1ccccc1 ZINC000812852815 1027449492 /nfs/dbraw/zinc/44/94/92/1027449492.db2.gz KTNRIALKNQNHDU-UZLBHIALSA-N 1 1 308.425 3.811 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932361213 1027465105 /nfs/dbraw/zinc/46/51/05/1027465105.db2.gz RTCMOHBOJQZVIU-QGZVFWFLSA-N 1 1 306.413 3.519 20 30 DHEDMO N#CCSCCC[N@@H+](Cc1nc2ccccc2s1)C1CC1 ZINC000932400534 1027481840 /nfs/dbraw/zinc/48/18/40/1027481840.db2.gz LFWICPZPKMYLEN-UHFFFAOYSA-N 1 1 317.483 3.908 20 30 DHEDMO C=CCCCCCCCCC[N@@H+]1CCC[C@@]12CCN(C)C2=O ZINC001275805771 1027491167 /nfs/dbraw/zinc/49/11/67/1027491167.db2.gz ZBALTRCQEZZPKZ-IBGZPJMESA-N 1 1 306.494 3.990 20 30 DHEDMO C=CC[N@H+](C)Cc1cc(Br)cc(Br)c1 ZINC000575786298 1027501697 /nfs/dbraw/zinc/50/16/97/1027501697.db2.gz HWMWTECXZRCMDD-UHFFFAOYSA-N 1 1 319.040 3.829 20 30 DHEDMO Cc1ccc([C@@H]2CC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)cc1 ZINC000562681936 1027564770 /nfs/dbraw/zinc/56/47/70/1027564770.db2.gz HWISKYOXKXCXLM-QGZVFWFLSA-N 1 1 321.380 3.764 20 30 DHEDMO C=CC1(CC(=O)NCCn2cc[nH+]c2C(C)C)CCCCC1 ZINC000932645096 1027576999 /nfs/dbraw/zinc/57/69/99/1027576999.db2.gz UPHAUZZSKQUPRK-UHFFFAOYSA-N 1 1 303.450 3.649 20 30 DHEDMO CC(C)(C)OC(=O)C1([NH2+]CCCCC(C)(C)C#N)CCCC1 ZINC000576184833 1027577292 /nfs/dbraw/zinc/57/72/92/1027577292.db2.gz UZJUWUDHTSKQOC-UHFFFAOYSA-N 1 1 308.466 3.951 20 30 DHEDMO Cc1cccc(NC[C@@H]2CCC[N@H+]2CCCC(C)(C)C#N)n1 ZINC000363353700 1027607663 /nfs/dbraw/zinc/60/76/63/1027607663.db2.gz VFTZRXRWXAWENQ-INIZCTEOSA-N 1 1 300.450 3.596 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H](c2ccncc2)c2ccc(F)cc2)cc1 ZINC000363393121 1027618799 /nfs/dbraw/zinc/61/87/99/1027618799.db2.gz NEMFLIYZMSYDEF-FQEVSTJZSA-N 1 1 317.367 3.972 20 30 DHEDMO C=CCOc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000363460733 1027643506 /nfs/dbraw/zinc/64/35/06/1027643506.db2.gz DGAXPGLQUDIGFV-HZPDHXFCSA-N 1 1 320.864 3.621 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(OC)cc1 ZINC000778152539 1027664160 /nfs/dbraw/zinc/66/41/60/1027664160.db2.gz WRFKZXYMLVRHQA-UHFFFAOYSA-N 1 1 315.800 3.650 20 30 DHEDMO C[C@@]1([NH2+]Cc2ccc(Cl)cc2C#N)CCOc2ccccc21 ZINC000933369526 1027725300 /nfs/dbraw/zinc/72/53/00/1027725300.db2.gz HUCVMMMZOBIQCB-GOSISDBHSA-N 1 1 312.800 3.999 20 30 DHEDMO C=C1CC(C)(C(=O)N2CCC[C@@]3(CC[N@H+](C4CCCC4)C3)C2)C1 ZINC001275868007 1027772765 /nfs/dbraw/zinc/77/27/65/1027772765.db2.gz NPVDGAKXVUVXTP-FQEVSTJZSA-N 1 1 316.489 3.600 20 30 DHEDMO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933613192 1027774425 /nfs/dbraw/zinc/77/44/25/1027774425.db2.gz RUBMZCLCCZXUPL-CYBMUJFWSA-N 1 1 322.412 3.759 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000023039460 1027781298 /nfs/dbraw/zinc/78/12/98/1027781298.db2.gz VDCQAVNVPZFPOJ-CYBMUJFWSA-N 1 1 313.426 3.641 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@H+](CCCCC3(C#N)CCC3)CCO2)cc1 ZINC000933631748 1027782304 /nfs/dbraw/zinc/78/23/04/1027782304.db2.gz LBKCGXOYFBLQOB-IBGZPJMESA-N 1 1 323.440 3.796 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@@H+](CCCCC3(C#N)CCC3)CCO2)cc1 ZINC000933631748 1027782325 /nfs/dbraw/zinc/78/23/25/1027782325.db2.gz LBKCGXOYFBLQOB-IBGZPJMESA-N 1 1 323.440 3.796 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000527620421 1027783390 /nfs/dbraw/zinc/78/33/90/1027783390.db2.gz SZXCHXKLJHCNJD-UHFFFAOYSA-N 1 1 323.440 3.723 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000527620421 1027783408 /nfs/dbraw/zinc/78/34/08/1027783408.db2.gz SZXCHXKLJHCNJD-UHFFFAOYSA-N 1 1 323.440 3.723 20 30 DHEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC[C@@H](C)CC(C)(C)C ZINC001275880375 1027800757 /nfs/dbraw/zinc/80/07/57/1027800757.db2.gz LNVAJHBSXBFCSK-BRWVUGGUSA-N 1 1 306.494 3.700 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)n[nH]1 ZINC000364360065 1027814720 /nfs/dbraw/zinc/81/47/20/1027814720.db2.gz IEHVNSYXQSNEKV-CQSZACIVSA-N 1 1 314.820 3.623 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)n[nH]1 ZINC000364360065 1027814738 /nfs/dbraw/zinc/81/47/38/1027814738.db2.gz IEHVNSYXQSNEKV-CQSZACIVSA-N 1 1 314.820 3.623 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3C#N)C2)[nH]n1 ZINC000364360065 1027814756 /nfs/dbraw/zinc/81/47/56/1027814756.db2.gz IEHVNSYXQSNEKV-CQSZACIVSA-N 1 1 314.820 3.623 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)[nH]n1 ZINC000364360065 1027814778 /nfs/dbraw/zinc/81/47/78/1027814778.db2.gz IEHVNSYXQSNEKV-CQSZACIVSA-N 1 1 314.820 3.623 20 30 DHEDMO C=C[C@@H](CC)CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000933815413 1027835989 /nfs/dbraw/zinc/83/59/89/1027835989.db2.gz UUZJEHMWIBQLJP-PKOBYXMFSA-N 1 1 314.473 3.569 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000563215721 1027935993 /nfs/dbraw/zinc/93/59/93/1027935993.db2.gz PDGSATWCKMZTHR-GOSISDBHSA-N 1 1 321.380 3.674 20 30 DHEDMO C#C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000934513747 1028027566 /nfs/dbraw/zinc/02/75/66/1028027566.db2.gz CJAVAPHNLRWHPJ-CYBMUJFWSA-N 1 1 324.346 3.522 20 30 DHEDMO N#CCSCCC[N@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000366982963 1028118149 /nfs/dbraw/zinc/11/81/49/1028118149.db2.gz PYDKFRGUTNRQJH-OAHLLOKOSA-N 1 1 312.841 3.857 20 30 DHEDMO N#CCSCCC[N@@H+]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000366982963 1028118156 /nfs/dbraw/zinc/11/81/56/1028118156.db2.gz PYDKFRGUTNRQJH-OAHLLOKOSA-N 1 1 312.841 3.857 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)CCC1 ZINC000934832069 1028120063 /nfs/dbraw/zinc/12/00/63/1028120063.db2.gz NHLHVSLZQBJIHB-ZWKOTPCHSA-N 1 1 304.478 3.989 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000934881899 1028138586 /nfs/dbraw/zinc/13/85/86/1028138586.db2.gz GCXQMAFNBOGROB-JWTNVVGKSA-N 1 1 313.445 3.809 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H](O)c3ccccc3F)CC2)cc1 ZINC000367209491 1028146900 /nfs/dbraw/zinc/14/69/00/1028146900.db2.gz QWGGCCRMRUEQLH-FQEVSTJZSA-N 1 1 322.383 3.520 20 30 DHEDMO N#CC1(CC[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)CCCCC1 ZINC000578420568 1028148067 /nfs/dbraw/zinc/14/80/67/1028148067.db2.gz HHZFCRYHGGAYAO-AWEZNQCLSA-N 1 1 318.383 3.894 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1nccn1-c1ccccc1 ZINC000367299763 1028159067 /nfs/dbraw/zinc/15/90/67/1028159067.db2.gz JZBQXDRFCVTPKD-OAHLLOKOSA-N 1 1 302.381 3.595 20 30 DHEDMO C[C@H](c1cccs1)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563715696 1028174689 /nfs/dbraw/zinc/17/46/89/1028174689.db2.gz LILHCKYMFZKIJZ-LLVKDONJSA-N 1 1 301.371 3.721 20 30 DHEDMO C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563715696 1028174696 /nfs/dbraw/zinc/17/46/96/1028174696.db2.gz LILHCKYMFZKIJZ-LLVKDONJSA-N 1 1 301.371 3.721 20 30 DHEDMO CCc1nccc([C@@H]2CCC[N@@H+](CC(C)(C)CCC#N)C2)n1 ZINC000367433309 1028184007 /nfs/dbraw/zinc/18/40/07/1028184007.db2.gz VQCCBEIHQJRWRL-OAHLLOKOSA-N 1 1 300.450 3.548 20 30 DHEDMO C=CC[C@H](C(=O)N[C@H](C)C[N@H+](CC)CCC)c1ccccc1 ZINC000563758497 1028191062 /nfs/dbraw/zinc/19/10/62/1028191062.db2.gz CVRNAYKUEWXRBP-AEFFLSMTSA-N 1 1 302.462 3.583 20 30 DHEDMO C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000578689443 1028216845 /nfs/dbraw/zinc/21/68/45/1028216845.db2.gz RLSZUJGSPLJFEA-QGZVFWFLSA-N 1 1 317.477 3.503 20 30 DHEDMO CC(=[NH+]NCCCOc1ccccc1)c1ccc(Cl)c(N)c1 ZINC000814838579 1028240134 /nfs/dbraw/zinc/24/01/34/1028240134.db2.gz UBWOOEJWEDMTHX-UHFFFAOYSA-N 1 1 317.820 3.705 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(CF)cc1 ZINC001170768900 1028252730 /nfs/dbraw/zinc/25/27/30/1028252730.db2.gz JSPJPWMUYCLADI-UHFFFAOYSA-N 1 1 312.388 3.676 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)cc1 ZINC000579251527 1028364636 /nfs/dbraw/zinc/36/46/36/1028364636.db2.gz XYIZIXLCDFUWFA-NRFANRHFSA-N 1 1 321.395 3.647 20 30 DHEDMO C=CC[NH+]1CCC(NCc2cc3ccccc3cc2OC)CC1 ZINC000449127851 1028379380 /nfs/dbraw/zinc/37/93/80/1028379380.db2.gz YBLCNENGMHAAFI-UHFFFAOYSA-N 1 1 310.441 3.588 20 30 DHEDMO C=CCOc1cccc(C[NH2+]Cc2c(F)cc(F)cc2F)c1 ZINC000815152460 1028383245 /nfs/dbraw/zinc/38/32/45/1028383245.db2.gz UNWABBTWOVQACL-UHFFFAOYSA-N 1 1 307.315 3.959 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000579359461 1028390595 /nfs/dbraw/zinc/39/05/95/1028390595.db2.gz LRRGLJZGXMYRRJ-QGZVFWFLSA-N 1 1 307.353 3.586 20 30 DHEDMO CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000579532840 1028431027 /nfs/dbraw/zinc/43/10/27/1028431027.db2.gz DDKIPVXYYJBGEZ-UYAOXDASSA-N 1 1 311.473 3.646 20 30 DHEDMO CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000579532840 1028431033 /nfs/dbraw/zinc/43/10/33/1028431033.db2.gz DDKIPVXYYJBGEZ-UYAOXDASSA-N 1 1 311.473 3.646 20 30 DHEDMO C[N@H+]1CCN(CC#Cc2ccc(Cl)cc2)CC12CCCCC2 ZINC000579609327 1028448071 /nfs/dbraw/zinc/44/80/71/1028448071.db2.gz UNOITRHCIPKHCI-UHFFFAOYSA-N 1 1 316.876 3.642 20 30 DHEDMO Cn1cc(C[N@H+]2CCC23CCCCC3)c(-c2ccc(C#N)cc2)n1 ZINC000369326025 1028471670 /nfs/dbraw/zinc/47/16/70/1028471670.db2.gz CCLMTDZVOXVALH-UHFFFAOYSA-N 1 1 320.440 3.867 20 30 DHEDMO CCCCCCCC[N@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000369592266 1028507176 /nfs/dbraw/zinc/50/71/76/1028507176.db2.gz QPHCRXRQQZDPIU-UHFFFAOYSA-N 1 1 310.526 3.922 20 30 DHEDMO CCCCCCCC[N@@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000369592266 1028507189 /nfs/dbraw/zinc/50/71/89/1028507189.db2.gz QPHCRXRQQZDPIU-UHFFFAOYSA-N 1 1 310.526 3.922 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@H](c2n[nH]cc2NC(C)=O)C1 ZINC000369827236 1028535522 /nfs/dbraw/zinc/53/55/22/1028535522.db2.gz DYILZUCGFLALKD-INIZCTEOSA-N 1 1 320.481 3.908 20 30 DHEDMO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1F ZINC000565159353 1028548713 /nfs/dbraw/zinc/54/87/13/1028548713.db2.gz XCCVNMJUCZXIDQ-QGZVFWFLSA-N 1 1 301.340 3.718 20 30 DHEDMO CCc1nccc([C@@H]2CCC[N@@H+](CCCC(C)(C)C#N)C2)n1 ZINC000369996565 1028551165 /nfs/dbraw/zinc/55/11/65/1028551165.db2.gz DNUXTWWAGFAGAI-OAHLLOKOSA-N 1 1 300.450 3.548 20 30 DHEDMO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)o1 ZINC000370532631 1028611946 /nfs/dbraw/zinc/61/19/46/1028611946.db2.gz CFCIGBHRHXENMH-NVXWUHKLSA-N 1 1 321.424 3.855 20 30 DHEDMO Cn1cccc1[C@@H]1CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000076612869 1028679699 /nfs/dbraw/zinc/67/96/99/1028679699.db2.gz DVKVSNDNOUTWMP-IBGZPJMESA-N 1 1 309.413 3.503 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000371331372 1028692463 /nfs/dbraw/zinc/69/24/63/1028692463.db2.gz HEPMLOIGUBARFF-QGZVFWFLSA-N 1 1 309.413 3.619 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000371334761 1028693535 /nfs/dbraw/zinc/69/35/35/1028693535.db2.gz ZKTNOXVCWMPPDG-KRWDZBQOSA-N 1 1 310.397 3.952 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OCC)[C@H](C)C2)cc1OC ZINC000449489752 1028699705 /nfs/dbraw/zinc/69/97/05/1028699705.db2.gz AXVDQJLNNNNHIN-NVXWUHKLSA-N 1 1 319.445 3.507 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](n3cnc4ccccc43)C2)s1 ZINC000371419750 1028708225 /nfs/dbraw/zinc/70/82/25/1028708225.db2.gz PKLHGGLMBBUCIP-CQSZACIVSA-N 1 1 322.437 3.807 20 30 DHEDMO N#CC1(C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)CCCCC1 ZINC000371565846 1028732549 /nfs/dbraw/zinc/73/25/49/1028732549.db2.gz VJHFDDBHSJISON-UHFFFAOYSA-N 1 1 309.413 3.577 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)s1 ZINC000449581627 1028825770 /nfs/dbraw/zinc/82/57/70/1028825770.db2.gz BERDTCKUMJFQEO-LBPRGKRZSA-N 1 1 308.328 3.814 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000449684091 1028908896 /nfs/dbraw/zinc/90/88/96/1028908896.db2.gz QNFZIXLYACHSKC-INIZCTEOSA-N 1 1 324.346 3.580 20 30 DHEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1Cl)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000372986234 1028929260 /nfs/dbraw/zinc/92/92/60/1028929260.db2.gz VQLDPTMIZZVYGP-HFBAOOFYSA-N 1 1 322.811 3.596 20 30 DHEDMO CC(C)CCc1ccc(NCc2cnc3ccc(C#N)cn23)[nH+]c1 ZINC000449712336 1028934831 /nfs/dbraw/zinc/93/48/31/1028934831.db2.gz RGOYNNXLYOAXDP-UHFFFAOYSA-N 1 1 319.412 3.802 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)[C@@H]1C ZINC000816648505 1028971215 /nfs/dbraw/zinc/97/12/15/1028971215.db2.gz LJMSJZIGCQSEMI-HZPDHXFCSA-N 1 1 306.409 3.977 20 30 DHEDMO C=CCC1(C(=O)NCc2cccc(C[N@H+](C)CC)c2)CCCC1 ZINC000449797724 1029017101 /nfs/dbraw/zinc/01/71/01/1029017101.db2.gz MHCKKBFLTCPSQL-UHFFFAOYSA-N 1 1 314.473 3.891 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC001170845836 1029023848 /nfs/dbraw/zinc/02/38/48/1029023848.db2.gz FEDITHCIUBJFHX-STQMWFEESA-N 1 1 309.816 3.682 20 30 DHEDMO COc1ccc([C@@H](CO)[N@@H+](C)CCC2(C#N)CCCCC2)cc1 ZINC000411271859 1029087641 /nfs/dbraw/zinc/08/76/41/1029087641.db2.gz RPLTXPRXVBKAMG-GOSISDBHSA-N 1 1 316.445 3.525 20 30 DHEDMO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000817297891 1029119378 /nfs/dbraw/zinc/11/93/78/1029119378.db2.gz XGGDBQFVWWSPSZ-WOJBJXKFSA-N 1 1 320.436 3.860 20 30 DHEDMO N#CC1(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCCC1 ZINC000411397541 1029122780 /nfs/dbraw/zinc/12/27/80/1029122780.db2.gz HUSBFWYJLAVMQO-PKOBYXMFSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CCCCC1 ZINC000411397541 1029122791 /nfs/dbraw/zinc/12/27/91/1029122791.db2.gz HUSBFWYJLAVMQO-PKOBYXMFSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CC[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CCCCC1 ZINC000411397541 1029122797 /nfs/dbraw/zinc/12/27/97/1029122797.db2.gz HUSBFWYJLAVMQO-PKOBYXMFSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CC[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)CCCCC1 ZINC000411410179 1029123216 /nfs/dbraw/zinc/12/32/16/1029123216.db2.gz RPKLFRGXCJZKEN-SJORKVTESA-N 1 1 322.518 3.837 20 30 DHEDMO CCCCCC[N@H+](C)CC(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000778666000 1029126184 /nfs/dbraw/zinc/12/61/84/1029126184.db2.gz IRBKMNGWJNDTRY-HNNXBMFYSA-N 1 1 302.418 3.675 20 30 DHEDMO CCCCCC[N@@H+](C)CC(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000778666000 1029126190 /nfs/dbraw/zinc/12/61/90/1029126190.db2.gz IRBKMNGWJNDTRY-HNNXBMFYSA-N 1 1 302.418 3.675 20 30 DHEDMO Cc1cnccc1CC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000568877038 1029140519 /nfs/dbraw/zinc/14/05/19/1029140519.db2.gz NGEVOTFQBWRWHQ-WOJBJXKFSA-N 1 1 305.425 3.704 20 30 DHEDMO CC1(C)C[N@@H+](C[C@@H](O)c2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC001170869707 1029173720 /nfs/dbraw/zinc/17/37/20/1029173720.db2.gz BILUJGUOJNHWRN-NVXWUHKLSA-N 1 1 312.438 3.736 20 30 DHEDMO COc1ccc2c(c1)OCC[N@@H+](CCC1(C#N)CCCCC1)C2 ZINC000411701268 1029188478 /nfs/dbraw/zinc/18/84/78/1029188478.db2.gz XVKFEYCUUSJHEC-UHFFFAOYSA-N 1 1 314.429 3.754 20 30 DHEDMO COc1ccc2c(c1)OCC[N@H+](CCC1(C#N)CCCCC1)C2 ZINC000411701268 1029188482 /nfs/dbraw/zinc/18/84/82/1029188482.db2.gz XVKFEYCUUSJHEC-UHFFFAOYSA-N 1 1 314.429 3.754 20 30 DHEDMO N#CCCCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000374052397 1029194981 /nfs/dbraw/zinc/19/49/81/1029194981.db2.gz DNTRLWKOBWQHPM-FQEVSTJZSA-N 1 1 311.473 3.668 20 30 DHEDMO N#CCCCC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000374052397 1029194986 /nfs/dbraw/zinc/19/49/86/1029194986.db2.gz DNTRLWKOBWQHPM-FQEVSTJZSA-N 1 1 311.473 3.668 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)Cc2ccc(Br)cc2)C1 ZINC001257567350 1029234359 /nfs/dbraw/zinc/23/43/59/1029234359.db2.gz JVJUSYMCVJXXLH-ZIAGYGMSSA-N 1 1 306.247 3.725 20 30 DHEDMO CC(C)c1nnc([C@@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)[nH]1 ZINC000569821474 1029269750 /nfs/dbraw/zinc/26/97/50/1029269750.db2.gz NEEBKASGHHCVTK-CXAGYDPISA-N 1 1 323.444 3.918 20 30 DHEDMO C=CCC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccco1 ZINC000817942337 1029287648 /nfs/dbraw/zinc/28/76/48/1029287648.db2.gz OHYKEUPTBHYOSV-MSOLQXFVSA-N 1 1 313.445 3.643 20 30 DHEDMO C[C@@H]1CC(C)(C)C[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000412049070 1029310929 /nfs/dbraw/zinc/31/09/29/1029310929.db2.gz VZCAMJHDQYKKKP-OAHLLOKOSA-N 1 1 323.440 3.858 20 30 DHEDMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000412086183 1029318497 /nfs/dbraw/zinc/31/84/97/1029318497.db2.gz ZYQAASXGOHDQMO-OAHLLOKOSA-N 1 1 308.466 3.760 20 30 DHEDMO CCc1cc(CCC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)on1 ZINC000450300461 1029331258 /nfs/dbraw/zinc/33/12/58/1029331258.db2.gz SBELKWTUYMJMAR-UHFFFAOYSA-N 1 1 309.413 3.706 20 30 DHEDMO N#Cc1csc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)n1 ZINC000570326075 1029352349 /nfs/dbraw/zinc/35/23/49/1029352349.db2.gz ILNPGLPNBVKNGN-ACHSLPGTSA-N 1 1 309.438 3.925 20 30 DHEDMO N#Cc1csc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)n1 ZINC000570326075 1029352366 /nfs/dbraw/zinc/35/23/66/1029352366.db2.gz ILNPGLPNBVKNGN-ACHSLPGTSA-N 1 1 309.438 3.925 20 30 DHEDMO CCCC[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCCC[C@H]1OC ZINC000570815002 1029425466 /nfs/dbraw/zinc/42/54/66/1029425466.db2.gz WREFKEUBGHPDLU-QZTJIDSGSA-N 1 1 301.434 3.513 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H]3CCCCC3(F)F)CCO2)c1 ZINC000450653173 1029596376 /nfs/dbraw/zinc/59/63/76/1029596376.db2.gz VMCBUSANWGDGID-IRXDYDNUSA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H]3CCCCC3(F)F)CCO2)c1 ZINC000450653173 1029596385 /nfs/dbraw/zinc/59/63/85/1029596385.db2.gz VMCBUSANWGDGID-IRXDYDNUSA-N 1 1 320.383 3.757 20 30 DHEDMO CCCOc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1OC ZINC000450668000 1029603596 /nfs/dbraw/zinc/60/35/96/1029603596.db2.gz XSFCMAZXEMWUJB-AWEZNQCLSA-N 1 1 302.418 3.828 20 30 DHEDMO CCCCCC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000819737398 1029607182 /nfs/dbraw/zinc/60/71/82/1029607182.db2.gz XBJJWLQBVBDDJV-INIZCTEOSA-N 1 1 315.461 3.590 20 30 DHEDMO CCC[N@@H+](CC1(C#N)CCC1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000450931094 1029735574 /nfs/dbraw/zinc/73/55/74/1029735574.db2.gz YNNGDBSJAMGSGY-INIZCTEOSA-N 1 1 313.445 3.810 20 30 DHEDMO C[C@@H]1CN(CCC(C)(C)C#N)C(C)(C)C[N@H+]1CCC(C)(C)C#N ZINC000451085833 1029788030 /nfs/dbraw/zinc/78/80/30/1029788030.db2.gz RQIQONFQQVPSTD-MRXNPFEDSA-N 1 1 318.509 3.651 20 30 DHEDMO C[C@@H]1C[N@H+](CCC(C)(C)C#N)C(C)(C)CN1CCC(C)(C)C#N ZINC000451085833 1029788036 /nfs/dbraw/zinc/78/80/36/1029788036.db2.gz RQIQONFQQVPSTD-MRXNPFEDSA-N 1 1 318.509 3.651 20 30 DHEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)C(C)(C)CN1CCC(C)(C)C#N ZINC000451085833 1029788041 /nfs/dbraw/zinc/78/80/41/1029788041.db2.gz RQIQONFQQVPSTD-MRXNPFEDSA-N 1 1 318.509 3.651 20 30 DHEDMO N#CC(CC[N@H+]1CC[C@@H](F)C1)(c1ccccc1)c1ccccc1 ZINC000451203217 1029820468 /nfs/dbraw/zinc/82/04/68/1029820468.db2.gz YQUOXUOLXREKBU-LJQANCHMSA-N 1 1 308.400 3.930 20 30 DHEDMO N#CC(CC[N@@H+]1CC[C@@H](F)C1)(c1ccccc1)c1ccccc1 ZINC000451203217 1029820475 /nfs/dbraw/zinc/82/04/75/1029820475.db2.gz YQUOXUOLXREKBU-LJQANCHMSA-N 1 1 308.400 3.930 20 30 DHEDMO C=C[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCCC)c1ccccc1 ZINC001136465828 1029858244 /nfs/dbraw/zinc/85/82/44/1029858244.db2.gz WUQZQMNWELRYOL-MOPGFXCFSA-N 1 1 314.473 3.727 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000451409081 1029864743 /nfs/dbraw/zinc/86/47/43/1029864743.db2.gz PNYNLFSONAMGKR-FZMZJTMJSA-N 1 1 312.335 3.730 20 30 DHEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000451402595 1029866450 /nfs/dbraw/zinc/86/64/50/1029866450.db2.gz BRRRYJIVLHQKLC-ZIAGYGMSSA-N 1 1 318.383 3.750 20 30 DHEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000451405315 1029868252 /nfs/dbraw/zinc/86/82/52/1029868252.db2.gz CRKXHBIWPJHGDY-GXTWGEPZSA-N 1 1 312.335 3.600 20 30 DHEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000451414484 1029870334 /nfs/dbraw/zinc/87/03/34/1029870334.db2.gz GOCUZMFDXXSJIZ-TZMCWYRMSA-N 1 1 321.346 3.974 20 30 DHEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000451414484 1029870342 /nfs/dbraw/zinc/87/03/42/1029870342.db2.gz GOCUZMFDXXSJIZ-TZMCWYRMSA-N 1 1 321.346 3.974 20 30 DHEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000451410926 1029871235 /nfs/dbraw/zinc/87/12/35/1029871235.db2.gz UEKVQJGAMQVXOR-MFKMUULPSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000451410926 1029871240 /nfs/dbraw/zinc/87/12/40/1029871240.db2.gz UEKVQJGAMQVXOR-MFKMUULPSA-N 1 1 300.299 3.860 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](c3cccc(Br)c3)C2)C1 ZINC000451565815 1029921353 /nfs/dbraw/zinc/92/13/53/1029921353.db2.gz IKOBSVCPMWDCLN-IVMMDQJWSA-N 1 1 319.246 3.931 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000304308316 1029937519 /nfs/dbraw/zinc/93/75/19/1029937519.db2.gz KVULUYIYDBKNSJ-AQNXPRMDSA-N 1 1 324.399 3.631 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000304308316 1029937529 /nfs/dbraw/zinc/93/75/29/1029937529.db2.gz KVULUYIYDBKNSJ-AQNXPRMDSA-N 1 1 324.399 3.631 20 30 DHEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2CC1(C)CCCCC1 ZINC001276288164 1029975015 /nfs/dbraw/zinc/97/50/15/1029975015.db2.gz GTPJWLNXUBKARH-HXUWFJFHSA-N 1 1 318.505 3.990 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2cccnc2C#N)cc1 ZINC000357320278 1029993903 /nfs/dbraw/zinc/99/39/03/1029993903.db2.gz WSQWZIVTNMCENV-INIZCTEOSA-N 1 1 320.440 3.940 20 30 DHEDMO CC(C)(C)OC(=O)c1ccccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000865729773 1029995496 /nfs/dbraw/zinc/99/54/96/1029995496.db2.gz NEAHQSFLIBHVRQ-UHFFFAOYSA-N 1 1 322.408 3.803 20 30 DHEDMO C=CC[N@H+](CC1(COc2cccc(COC)c2)CC1)C1CC1 ZINC000357532857 1030094697 /nfs/dbraw/zinc/09/46/97/1030094697.db2.gz WKSYRMHDEJATHU-UHFFFAOYSA-N 1 1 301.430 3.642 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@@H](CC(C)C)c1ccccc1)C1CC1 ZINC000357548874 1030101066 /nfs/dbraw/zinc/10/10/66/1030101066.db2.gz BVFYHOIQBOYXRB-SFHVURJKSA-N 1 1 300.446 3.540 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@@H](CC(C)C)c1ccccc1)C1CC1 ZINC000357548874 1030101068 /nfs/dbraw/zinc/10/10/68/1030101068.db2.gz BVFYHOIQBOYXRB-SFHVURJKSA-N 1 1 300.446 3.540 20 30 DHEDMO N#CCCC[C@H]([NH3+])c1nc(CCCc2ccccc2Cl)no1 ZINC000822817853 1030135384 /nfs/dbraw/zinc/13/53/84/1030135384.db2.gz AADIJWSEBQDGPI-AWEZNQCLSA-N 1 1 318.808 3.592 20 30 DHEDMO C[C@H]([N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N)C(C)(C)C ZINC000533249027 1030220461 /nfs/dbraw/zinc/22/04/61/1030220461.db2.gz GLIYPIAQRKPGGR-NSHDSACASA-N 1 1 307.825 3.517 20 30 DHEDMO COc1cccc(C2([NH2+][C@H](C)c3cccc(C#N)c3O)CC2)c1 ZINC000866318984 1030226656 /nfs/dbraw/zinc/22/66/56/1030226656.db2.gz AAFOTPANDMPPBG-CYBMUJFWSA-N 1 1 308.381 3.612 20 30 DHEDMO CCSc1cccc(-c2noc([C@H]([NH3+])CCCC#N)n2)c1 ZINC000823238733 1030247454 /nfs/dbraw/zinc/24/74/54/1030247454.db2.gz CPAICZRCXQFYLP-CYBMUJFWSA-N 1 1 302.403 3.542 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3C3CCCC3)o2)cc1 ZINC000173557352 1030254541 /nfs/dbraw/zinc/25/45/41/1030254541.db2.gz GCQWHDNDVIRTNL-QGZVFWFLSA-N 1 1 322.412 3.763 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000533300633 1030261301 /nfs/dbraw/zinc/26/13/01/1030261301.db2.gz HYCBDLBVEPUSRF-LSDHHAIUSA-N 1 1 314.429 3.897 20 30 DHEDMO CC(C)[C@H](O)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866394903 1030275802 /nfs/dbraw/zinc/27/58/02/1030275802.db2.gz XEVONIZRDMSBHY-JVPBZIDWSA-N 1 1 324.424 3.673 20 30 DHEDMO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026323980 1030287893 /nfs/dbraw/zinc/28/78/93/1030287893.db2.gz ACOKKEBDAAXTQH-UHFFFAOYSA-N 1 1 317.392 3.663 20 30 DHEDMO Cc1[nH]c2ccccc2c1C(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000026323980 1030287905 /nfs/dbraw/zinc/28/79/05/1030287905.db2.gz ACOKKEBDAAXTQH-UHFFFAOYSA-N 1 1 317.392 3.663 20 30 DHEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@](C)(O)c1ccccc1 ZINC000823604893 1030336132 /nfs/dbraw/zinc/33/61/32/1030336132.db2.gz FZSWHHGNENHTPL-SFHVURJKSA-N 1 1 314.816 3.551 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC000823617932 1030341695 /nfs/dbraw/zinc/34/16/95/1030341695.db2.gz NTJZPCZXAIOOOR-UGSOOPFHSA-N 1 1 314.816 3.938 20 30 DHEDMO C=CCSCC[NH2+][C@H](c1ccccn1)c1ccccc1OC ZINC000925349161 1030346241 /nfs/dbraw/zinc/34/62/41/1030346241.db2.gz BLUFABFUCGIUJU-SFHVURJKSA-N 1 1 314.454 3.688 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(CF)cc1 ZINC000777564653 1030412294 /nfs/dbraw/zinc/41/22/94/1030412294.db2.gz CXKQAEOBILDMFV-UHFFFAOYSA-N 1 1 312.388 3.676 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)cc1C#N ZINC000533538921 1030417975 /nfs/dbraw/zinc/41/79/75/1030417975.db2.gz VBYZAMGMWWRJMQ-GOSISDBHSA-N 1 1 306.409 3.631 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2cc(C)c(OC)c(C)c2)cc1C#N ZINC000533538629 1030418314 /nfs/dbraw/zinc/41/83/14/1030418314.db2.gz FLRQXXUPGCILHN-UHFFFAOYSA-N 1 1 324.424 3.824 20 30 DHEDMO C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1CCC(C)(C)C#N ZINC000558118937 1030429536 /nfs/dbraw/zinc/42/95/36/1030429536.db2.gz SSAFYCOEGJARDC-INIZCTEOSA-N 1 1 322.456 3.685 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000558126660 1030431229 /nfs/dbraw/zinc/43/12/29/1030431229.db2.gz IESPOFCEAPCXQG-UKRRQHHQSA-N 1 1 315.379 3.895 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3cccs3)CC2)C1=O ZINC001275608222 1030563625 /nfs/dbraw/zinc/56/36/25/1030563625.db2.gz BEQAXCUWDMYSNQ-GOSISDBHSA-N 1 1 318.486 3.529 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1N=Nc1cccc(F)n1 ZINC000795007952 1030565617 /nfs/dbraw/zinc/56/56/17/1030565617.db2.gz AEWWFRNSBPOKNC-CQSZACIVSA-N 1 1 312.392 3.531 20 30 DHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1cccc(F)n1 ZINC000795008088 1030566267 /nfs/dbraw/zinc/56/62/67/1030566267.db2.gz VEZRRVNRSLZMLJ-UHFFFAOYSA-N 1 1 314.408 3.777 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1 ZINC000824702560 1030605251 /nfs/dbraw/zinc/60/52/51/1030605251.db2.gz NRAOZHUNPVSIIB-QMALUCSJSA-N 1 1 308.425 3.621 20 30 DHEDMO Cc1ccc2c(C[N@H+]3CCc4ccc(C#N)cc4C3)c[nH]c2c1 ZINC001136969716 1030670508 /nfs/dbraw/zinc/67/05/08/1030670508.db2.gz ZCCLUFOGQGMEHP-UHFFFAOYSA-N 1 1 301.393 3.906 20 30 DHEDMO C#CCOc1ccc(C[NH2+]Cc2ncc(C(C)C)s2)cc1 ZINC000824926180 1030673513 /nfs/dbraw/zinc/67/35/13/1030673513.db2.gz LUVZXIGCHRZGPV-UHFFFAOYSA-N 1 1 300.427 3.568 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@H](CC)c1ccccc1OCC ZINC000358923528 1030678396 /nfs/dbraw/zinc/67/83/96/1030678396.db2.gz WIBKWLCOHNINFH-QGZVFWFLSA-N 1 1 318.461 3.551 20 30 DHEDMO CC[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1cccc(C#N)c1O ZINC000926293974 1030690176 /nfs/dbraw/zinc/69/01/76/1030690176.db2.gz RQDVDOWCIRUWEA-SFHVURJKSA-N 1 1 321.424 3.779 20 30 DHEDMO C=CCC1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CCCCC1 ZINC000825024540 1030699101 /nfs/dbraw/zinc/69/91/01/1030699101.db2.gz QMQLQUSQPXCFGE-UHFFFAOYSA-N 1 1 320.389 3.678 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1c[nH]c3cccc(F)c13)C2 ZINC001136979475 1030703416 /nfs/dbraw/zinc/70/34/16/1030703416.db2.gz KMLFUQFMKTYYDQ-UHFFFAOYSA-N 1 1 305.356 3.737 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1c[nH]c3cccc(F)c13)C2 ZINC001136979475 1030703433 /nfs/dbraw/zinc/70/34/33/1030703433.db2.gz KMLFUQFMKTYYDQ-UHFFFAOYSA-N 1 1 305.356 3.737 20 30 DHEDMO C=CCC1(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CCCC1 ZINC000825158610 1030745188 /nfs/dbraw/zinc/74/51/88/1030745188.db2.gz SDRRWWTXLVJJRA-UHFFFAOYSA-N 1 1 310.401 3.651 20 30 DHEDMO CC(C)n1cc([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)nn1 ZINC000926480006 1030756822 /nfs/dbraw/zinc/75/68/22/1030756822.db2.gz NQXDRDMVWPWWEW-WBVHZDCISA-N 1 1 311.433 3.945 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc2ccccc2o1 ZINC001275640503 1030841220 /nfs/dbraw/zinc/84/12/20/1030841220.db2.gz AWCLFMXJTJQCOB-FQEVSTJZSA-N 1 1 324.424 3.576 20 30 DHEDMO CCC[N@H+](CCC#N)Cc1ccc(OC)c(C(F)(F)F)c1 ZINC001143644129 1030878399 /nfs/dbraw/zinc/87/83/99/1030878399.db2.gz AJFOFCNTTSNTFQ-UHFFFAOYSA-N 1 1 300.324 3.840 20 30 DHEDMO CCC[N@@H+](CCC#N)Cc1ccc(OC)c(C(F)(F)F)c1 ZINC001143644129 1030878422 /nfs/dbraw/zinc/87/84/22/1030878422.db2.gz AJFOFCNTTSNTFQ-UHFFFAOYSA-N 1 1 300.324 3.840 20 30 DHEDMO C[C@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccc(C#N)c(F)c1 ZINC000926920927 1030993768 /nfs/dbraw/zinc/99/37/68/1030993768.db2.gz SYVMKTJWVXGCOM-NSHDSACASA-N 1 1 315.417 3.883 20 30 DHEDMO C[N@H+](Cc1ccc(C(F)F)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370519 1031075075 /nfs/dbraw/zinc/07/50/75/1031075075.db2.gz HYWMIPHSOCGIAM-QGZVFWFLSA-N 1 1 316.351 3.661 20 30 DHEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CCC1 ZINC000359849352 1031163449 /nfs/dbraw/zinc/16/34/49/1031163449.db2.gz YZSVLCMIHMLLFV-AEFFLSMTSA-N 1 1 312.457 3.512 20 30 DHEDMO C=CC[C@H](C)C(=O)N(C)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001144019680 1031180009 /nfs/dbraw/zinc/18/00/09/1031180009.db2.gz ZVTLECUWNYUKDY-LNLFQRSKSA-N 1 1 314.473 3.568 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+](CCCO)Cc1ccccc1 ZINC000359894242 1031185142 /nfs/dbraw/zinc/18/51/42/1031185142.db2.gz CKNLPEFVBMRVTP-UHFFFAOYSA-N 1 1 314.816 3.596 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+](CCCO)Cc1ccccc1 ZINC000359894242 1031185152 /nfs/dbraw/zinc/18/51/52/1031185152.db2.gz CKNLPEFVBMRVTP-UHFFFAOYSA-N 1 1 314.816 3.596 20 30 DHEDMO Cc1c(O)cccc1C[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001144120366 1031256229 /nfs/dbraw/zinc/25/62/29/1031256229.db2.gz KVKLAPUJVKFSRY-UHFFFAOYSA-N 1 1 324.399 3.897 20 30 DHEDMO CCc1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc(CC)c1O ZINC001144139425 1031273530 /nfs/dbraw/zinc/27/35/30/1031273530.db2.gz HDDKBBMJJYCSTD-UHFFFAOYSA-N 1 1 320.436 3.947 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cn1 ZINC001144166675 1031307762 /nfs/dbraw/zinc/30/77/62/1031307762.db2.gz QGYWQVSAUSNNLD-UHFFFAOYSA-N 1 1 319.330 3.994 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]2CCCC[C@@H]21 ZINC000360201418 1031322812 /nfs/dbraw/zinc/32/28/12/1031322812.db2.gz ZVUFMBJWVLHHKM-KBRIMQKVSA-N 1 1 322.412 3.619 20 30 DHEDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1cncc(C#N)c1 ZINC000929287887 1031483253 /nfs/dbraw/zinc/48/32/53/1031483253.db2.gz PIJPPQFTTUOWIC-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1cncc(C#N)c1 ZINC000929287887 1031483261 /nfs/dbraw/zinc/48/32/61/1031483261.db2.gz PIJPPQFTTUOWIC-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000537038549 1031492089 /nfs/dbraw/zinc/49/20/89/1031492089.db2.gz ROEDXMDHVMCLFD-KRWDZBQOSA-N 1 1 306.494 3.846 20 30 DHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCC[C@H](C)C1 ZINC000360627741 1031497471 /nfs/dbraw/zinc/49/74/71/1031497471.db2.gz COTDLNPENVVURL-QWHCGFSZSA-N 1 1 319.836 3.661 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c1F ZINC000537047298 1031497650 /nfs/dbraw/zinc/49/76/50/1031497650.db2.gz BNEYQVUFAIVXQQ-GOSISDBHSA-N 1 1 309.388 3.774 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000360668709 1031513123 /nfs/dbraw/zinc/51/31/23/1031513123.db2.gz JHWHADQUGYWVHU-HXUWFJFHSA-N 1 1 322.383 3.719 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000360668709 1031513133 /nfs/dbraw/zinc/51/31/33/1031513133.db2.gz JHWHADQUGYWVHU-HXUWFJFHSA-N 1 1 322.383 3.719 20 30 DHEDMO C[N@H+](Cc1cncc(C#N)c1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000929423850 1031517586 /nfs/dbraw/zinc/51/75/86/1031517586.db2.gz DREJGPZWJVGSTF-VQTJNVASSA-N 1 1 321.424 3.553 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCC[C@@H]2CN2CCCCC2)CCC1 ZINC000929491770 1031532182 /nfs/dbraw/zinc/53/21/82/1031532182.db2.gz ISUSBJYSZQXNKX-GOSISDBHSA-N 1 1 303.494 3.801 20 30 DHEDMO N#CC1(CCCCN2CCC[C@@H]2C[NH+]2CCCCC2)CCC1 ZINC000929491770 1031532195 /nfs/dbraw/zinc/53/21/95/1031532195.db2.gz ISUSBJYSZQXNKX-GOSISDBHSA-N 1 1 303.494 3.801 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2c(C)cc(C)cc2C)no1 ZINC000872173523 1031551133 /nfs/dbraw/zinc/55/11/33/1031551133.db2.gz QNLZIRWFPJCAHC-AWEZNQCLSA-N 1 1 305.809 3.728 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872275156 1031571056 /nfs/dbraw/zinc/57/10/56/1031571056.db2.gz FVVOXIGWOJANNA-QGZVFWFLSA-N 1 1 302.393 3.621 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCc1cccnc1 ZINC000929756551 1031599828 /nfs/dbraw/zinc/59/98/28/1031599828.db2.gz HLFAWSKJSJFYAB-WOJBJXKFSA-N 1 1 305.425 3.786 20 30 DHEDMO CSc1nnc(SC)n1[NH+]=CC[C@H](C)c1ccccc1 ZINC000872417381 1031603852 /nfs/dbraw/zinc/60/38/52/1031603852.db2.gz AIEHGUSNTWTMOR-NSHDSACASA-N 1 1 306.460 3.750 20 30 DHEDMO CC[N@H+]1CC[C@H](N(C)Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C ZINC000929782296 1031608624 /nfs/dbraw/zinc/60/86/24/1031608624.db2.gz UNMABGOPHVHQFK-GUYCJALGSA-N 1 1 305.853 3.516 20 30 DHEDMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929800131 1031610538 /nfs/dbraw/zinc/61/05/38/1031610538.db2.gz SOGTYHBWBAVWCH-UUKMXZOPSA-N 1 1 311.473 3.523 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000929806478 1031613298 /nfs/dbraw/zinc/61/32/98/1031613298.db2.gz BBNFCRBCHBJMDA-BHUNQDJPSA-N 1 1 318.486 3.966 20 30 DHEDMO N#CC1(CCCC[N@H+](CCCO)Cc2ccccc2)CCC1 ZINC000929851733 1031627385 /nfs/dbraw/zinc/62/73/85/1031627385.db2.gz ANKQVFFIDVGKJH-UHFFFAOYSA-N 1 1 300.446 3.735 20 30 DHEDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000845737144 1031678310 /nfs/dbraw/zinc/67/83/10/1031678310.db2.gz WENRSCIAJJYPIF-INIZCTEOSA-N 1 1 314.429 3.517 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](CCCc3cccnc3)CC2)cc1 ZINC000930160146 1031718138 /nfs/dbraw/zinc/71/81/38/1031718138.db2.gz ZSTSQRIKNBYNJV-UHFFFAOYSA-N 1 1 303.409 3.675 20 30 DHEDMO C#Cc1ccc(C[N@H+](Cc2ccccc2)[C@H](C)CC(=O)OC)cc1 ZINC001144578547 1031719689 /nfs/dbraw/zinc/71/96/89/1031719689.db2.gz GNFFSUPFKGFSKD-QGZVFWFLSA-N 1 1 321.420 3.622 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)cc1 ZINC001144576901 1031724333 /nfs/dbraw/zinc/72/43/33/1031724333.db2.gz VIGGNSBQUWSRIU-OAQYLSRUSA-N 1 1 305.421 3.849 20 30 DHEDMO CC(C)(C#N)c1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000873164377 1031734391 /nfs/dbraw/zinc/73/43/91/1031734391.db2.gz HQCWHXYFSZWJHW-UHFFFAOYSA-N 1 1 305.834 3.887 20 30 DHEDMO COc1cc(C)cc(C[N@H+](C)Cc2cc(C#N)cs2)c1OC ZINC000897624534 1031745282 /nfs/dbraw/zinc/74/52/82/1031745282.db2.gz NQVGEJASOQUQSB-UHFFFAOYSA-N 1 1 316.426 3.577 20 30 DHEDMO COc1cc(C)cc(C[N@@H+](C)Cc2cc(C#N)cs2)c1OC ZINC000897624534 1031745299 /nfs/dbraw/zinc/74/52/99/1031745299.db2.gz NQVGEJASOQUQSB-UHFFFAOYSA-N 1 1 316.426 3.577 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000897625044 1031747946 /nfs/dbraw/zinc/74/79/46/1031747946.db2.gz AMFTWLOVSNZWPV-UHFFFAOYSA-N 1 1 324.453 3.602 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(C(F)(F)F)nc1 ZINC000873185476 1031748957 /nfs/dbraw/zinc/74/89/57/1031748957.db2.gz VNGRGVZQDXSLNC-SNVBAGLBSA-N 1 1 323.293 3.962 20 30 DHEDMO CCC[C@@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(F)cc1F ZINC000930233403 1031751047 /nfs/dbraw/zinc/75/10/47/1031751047.db2.gz PJAMRLWYUWVDDP-QGZVFWFLSA-N 1 1 301.340 3.862 20 30 DHEDMO Cc1cc(Br)c(O)c(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000846009949 1031804409 /nfs/dbraw/zinc/80/44/09/1031804409.db2.gz GDXUCNFVBRLJDO-UHFFFAOYSA-N 1 1 323.234 3.637 20 30 DHEDMO COc1cccc2c1C[N@H+]([C@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171203097 1031794190 /nfs/dbraw/zinc/79/41/90/1031794190.db2.gz IYMGIKOXFCJUKB-OAHLLOKOSA-N 1 1 306.409 3.556 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+](CCC#N)Cc1ccccc1 ZINC001171204320 1031803326 /nfs/dbraw/zinc/80/33/26/1031803326.db2.gz VSWZAAZAZBMWTD-QGZVFWFLSA-N 1 1 303.409 3.905 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](CCC#N)Cc1ccccc1 ZINC001171204320 1031803337 /nfs/dbraw/zinc/80/33/37/1031803337.db2.gz VSWZAAZAZBMWTD-QGZVFWFLSA-N 1 1 303.409 3.905 20 30 DHEDMO Cc1cc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)ccc1Cl ZINC000846008775 1031806386 /nfs/dbraw/zinc/80/63/86/1031806386.db2.gz XSEUMGDKFGDCAB-GOSISDBHSA-N 1 1 314.816 3.686 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000846106997 1031879774 /nfs/dbraw/zinc/87/97/74/1031879774.db2.gz DQDXUESYJMRPTC-BBRMVZONSA-N 1 1 306.356 3.599 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000361404192 1031908240 /nfs/dbraw/zinc/90/82/40/1031908240.db2.gz LHNYIKNIVSOOTC-QZTJIDSGSA-N 1 1 300.446 3.904 20 30 DHEDMO N#Cc1cncc(C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000930721213 1031928922 /nfs/dbraw/zinc/92/89/22/1031928922.db2.gz XCURKBBMOAPYLA-LJQANCHMSA-N 1 1 303.409 3.723 20 30 DHEDMO C=CCOc1ccc(C[N@H+](CCC2OCCO2)C(C)(C)C)cc1 ZINC000124673203 1031938994 /nfs/dbraw/zinc/93/89/94/1031938994.db2.gz OBBDUPFZTACGQI-UHFFFAOYSA-N 1 1 319.445 3.615 20 30 DHEDMO N#CC1CCC(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)CC1 ZINC000930763352 1031940350 /nfs/dbraw/zinc/94/03/50/1031940350.db2.gz ODSWFVIFIFDQHL-HTWSVDAQSA-N 1 1 302.462 3.597 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000930764038 1031941439 /nfs/dbraw/zinc/94/14/39/1031941439.db2.gz IWBWUZQMRWAZLG-KCPJHIHWSA-N 1 1 312.335 3.661 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000930763071 1031942077 /nfs/dbraw/zinc/94/20/77/1031942077.db2.gz MDILTVBJUKSPDF-VKYMVXLJSA-N 1 1 318.848 3.778 20 30 DHEDMO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1nccn1C)c1ccc(F)cc1F ZINC000898107824 1031950003 /nfs/dbraw/zinc/95/00/03/1031950003.db2.gz XPUSQSOMASKQJT-OGHNNQOOSA-N 1 1 319.399 3.978 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)Cc2cccc(C#N)c2)cc1OC ZINC001171220750 1031955902 /nfs/dbraw/zinc/95/59/02/1031955902.db2.gz DYAJHMHNNIJHOB-HNNXBMFYSA-N 1 1 324.424 3.638 20 30 DHEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000930934230 1031988249 /nfs/dbraw/zinc/98/82/49/1031988249.db2.gz IOJSCIDSYJKUGV-MJGOQNOKSA-N 1 1 314.473 3.617 20 30 DHEDMO COc1ccc([C@H]2CC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)cc1 ZINC001171229374 1031995402 /nfs/dbraw/zinc/99/54/02/1031995402.db2.gz MVPIQDKFUXIMPB-UZLBHIALSA-N 1 1 320.436 3.987 20 30 DHEDMO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1CCCCC1(C#N)CCC1 ZINC000930989193 1032004141 /nfs/dbraw/zinc/00/41/41/1032004141.db2.gz DUSDYZRUMPJZPX-HNNXBMFYSA-N 1 1 311.429 3.693 20 30 DHEDMO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930989193 1032004154 /nfs/dbraw/zinc/00/41/54/1032004154.db2.gz DUSDYZRUMPJZPX-HNNXBMFYSA-N 1 1 311.429 3.693 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1nccn1-c1ccccc1 ZINC000361592457 1032005113 /nfs/dbraw/zinc/00/51/13/1032005113.db2.gz CSQBXVVVPSHMMH-UHFFFAOYSA-N 1 1 307.397 3.696 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1nccn1-c1ccccc1 ZINC000361592457 1032005127 /nfs/dbraw/zinc/00/51/27/1032005127.db2.gz CSQBXVVVPSHMMH-UHFFFAOYSA-N 1 1 307.397 3.696 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(Br)c(C)c1 ZINC000931061676 1032020912 /nfs/dbraw/zinc/02/09/12/1032020912.db2.gz AYMWSBBKOVJPQB-OKILXGFUSA-N 1 1 307.235 3.836 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(Br)c(C)c1 ZINC000931061676 1032020928 /nfs/dbraw/zinc/02/09/28/1032020928.db2.gz AYMWSBBKOVJPQB-OKILXGFUSA-N 1 1 307.235 3.836 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000877488968 1033319783 /nfs/dbraw/zinc/31/97/83/1033319783.db2.gz JTMZCLPRGGJVHC-FUHWJXTLSA-N 1 1 314.429 3.524 20 30 DHEDMO COc1ccc(C[N@H+]2CCC(C)=C(c3ccco3)C2)cc1C#N ZINC000338343426 1033327466 /nfs/dbraw/zinc/32/74/66/1033327466.db2.gz MBYIEXUFRGGXHZ-UHFFFAOYSA-N 1 1 308.381 3.839 20 30 DHEDMO C[N@H+](Cc1cc(C#N)cnc1Cl)C[C@H]1CCc2ccccc21 ZINC000877641006 1033394117 /nfs/dbraw/zinc/39/41/17/1033394117.db2.gz UEAXZUIQJGBOHA-OAHLLOKOSA-N 1 1 311.816 3.768 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172800672 1033404807 /nfs/dbraw/zinc/40/48/07/1033404807.db2.gz ZSDOZVNZTPLICX-ROUUACIJSA-N 1 1 301.430 3.797 20 30 DHEDMO N#Cc1ccccc1C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000877736395 1033425073 /nfs/dbraw/zinc/42/50/73/1033425073.db2.gz XVJLQJXBFKSFIP-UHFFFAOYSA-N 1 1 322.412 3.588 20 30 DHEDMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)n1 ZINC000877812879 1033463547 /nfs/dbraw/zinc/46/35/47/1033463547.db2.gz CAOUHHQETXNBBW-MRXNPFEDSA-N 1 1 323.465 3.996 20 30 DHEDMO C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](CCC#N)C1CCCC1 ZINC001172965340 1033486351 /nfs/dbraw/zinc/48/63/51/1033486351.db2.gz SNQFBRVGPNTDNH-OAHLLOKOSA-N 1 1 323.481 3.790 20 30 DHEDMO CCC(CC)[N@@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988495 1033492182 /nfs/dbraw/zinc/49/21/82/1033492182.db2.gz BQJWPXKWLLWJOX-HOTGVXAUSA-N 1 1 323.481 3.789 20 30 DHEDMO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](C#N)C1 ZINC001173088861 1033518955 /nfs/dbraw/zinc/51/89/55/1033518955.db2.gz RLTOPICDDZMCDL-TZMCWYRMSA-N 1 1 312.335 3.752 20 30 DHEDMO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](C#N)C1 ZINC001173088861 1033518963 /nfs/dbraw/zinc/51/89/63/1033518963.db2.gz RLTOPICDDZMCDL-TZMCWYRMSA-N 1 1 312.335 3.752 20 30 DHEDMO CC[N@@H+](CCC#N)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173083218 1033534027 /nfs/dbraw/zinc/53/40/27/1033534027.db2.gz OAQGVONSSMGFPW-LBPRGKRZSA-N 1 1 300.324 3.752 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H]1C1CCC1)c1ccccc1 ZINC000878048229 1033567093 /nfs/dbraw/zinc/56/70/93/1033567093.db2.gz NUGDXTHTVFMVAD-PMACEKPBSA-N 1 1 310.441 3.692 20 30 DHEDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001173228645 1033606496 /nfs/dbraw/zinc/60/64/96/1033606496.db2.gz YNSQSUHWBOUVCJ-AWEZNQCLSA-N 1 1 309.369 3.529 20 30 DHEDMO CCC1(CC)CC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878183624 1033614800 /nfs/dbraw/zinc/61/48/00/1033614800.db2.gz HYJPGLLKWLLAAC-FQEVSTJZSA-N 1 1 312.457 3.939 20 30 DHEDMO CCC1(CC)CC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878183627 1033615210 /nfs/dbraw/zinc/61/52/10/1033615210.db2.gz HYJPGLLKWLLAAC-HXUWFJFHSA-N 1 1 312.457 3.939 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC2)cc1 ZINC000878334035 1033661367 /nfs/dbraw/zinc/66/13/67/1033661367.db2.gz MEJPRWCFCLKSNE-UFYCRDLUSA-N 1 1 308.425 3.605 20 30 DHEDMO C=CCOC1CCC([NH2+][C@H](CCN(C)C)c2ccccc2)CC1 ZINC001173311622 1033666515 /nfs/dbraw/zinc/66/65/15/1033666515.db2.gz MSWMKJFPTNZQOX-SOAGJPPSSA-N 1 1 316.489 3.783 20 30 DHEDMO C=CCCC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000878359253 1033673329 /nfs/dbraw/zinc/67/33/29/1033673329.db2.gz HNCGTPUDWQKDCN-PKOBYXMFSA-N 1 1 314.473 3.585 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3cc(C(F)(F)F)co3)CC2)c1 ZINC000878365550 1033676856 /nfs/dbraw/zinc/67/68/56/1033676856.db2.gz YBMUODXTEIJMPC-UHFFFAOYSA-N 1 1 306.287 3.949 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CC[C@@H](CC)C1)[C@H]2CC ZINC001173284357 1033677536 /nfs/dbraw/zinc/67/75/36/1033677536.db2.gz ZEKUXQKGOQYUEI-LXZJYRNTSA-N 1 1 318.505 3.987 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@H](C(=O)c3ccccc3)C2)CC1 ZINC001173322736 1033686695 /nfs/dbraw/zinc/68/66/95/1033686695.db2.gz KLGOQRCVGDBSSL-VIQWUECVSA-N 1 1 313.441 3.705 20 30 DHEDMO CCOC(=O)C[N@H+](Cc1ccsc1)C1CCC(CC#N)CC1 ZINC001173337513 1033695032 /nfs/dbraw/zinc/69/50/32/1033695032.db2.gz MUBQGMSJFDXPDM-UHFFFAOYSA-N 1 1 320.458 3.586 20 30 DHEDMO CCOC(=O)C[N@@H+](Cc1ccsc1)C1CCC(CC#N)CC1 ZINC001173337513 1033695049 /nfs/dbraw/zinc/69/50/49/1033695049.db2.gz MUBQGMSJFDXPDM-UHFFFAOYSA-N 1 1 320.458 3.586 20 30 DHEDMO N#CCC1CCC([N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001173341175 1033697122 /nfs/dbraw/zinc/69/71/22/1033697122.db2.gz QKRIMWLMJOSWHE-WDQDQHCCSA-N 1 1 323.484 3.665 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@H](C)C(C)(C)C1)c1ccccc1 ZINC000878432824 1033703226 /nfs/dbraw/zinc/70/32/26/1033703226.db2.gz KEMMWHCDJZOELW-JXFKEZNVSA-N 1 1 312.457 3.795 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1CC2(CO1)CCOCC2 ZINC000878533994 1033741993 /nfs/dbraw/zinc/74/19/93/1033741993.db2.gz UYOKRDMDJCPFME-LJQANCHMSA-N 1 1 315.457 3.650 20 30 DHEDMO C#CCCCCC[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000878616681 1033771054 /nfs/dbraw/zinc/77/10/54/1033771054.db2.gz QIYYGFJXIOUEMK-JKSUJKDBSA-N 1 1 317.433 3.642 20 30 DHEDMO C#CCCCCC[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000878616681 1033771075 /nfs/dbraw/zinc/77/10/75/1033771075.db2.gz QIYYGFJXIOUEMK-JKSUJKDBSA-N 1 1 317.433 3.642 20 30 DHEDMO CC1(C#N)CCC([NH2+]C2(c3ccccc3Cl)COC2)CC1 ZINC001173591691 1033779736 /nfs/dbraw/zinc/77/97/36/1033779736.db2.gz PQNQOIAUXIOOIR-UHFFFAOYSA-N 1 1 304.821 3.628 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001173597446 1033783006 /nfs/dbraw/zinc/78/30/06/1033783006.db2.gz UDYXSSOIJFLOGS-SYYJFZTOSA-N 1 1 323.440 3.874 20 30 DHEDMO C[N@@H+](CCCCNC(=O)OC(C)(C)C)C1CCC(C)(C#N)CC1 ZINC001173601659 1033788534 /nfs/dbraw/zinc/78/85/34/1033788534.db2.gz YAWLSSAYVMAHFQ-UHFFFAOYSA-N 1 1 323.481 3.696 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CCO2)c1 ZINC000862254154 1033799125 /nfs/dbraw/zinc/79/91/25/1033799125.db2.gz WKLYVHBXZGQDOX-FQEVSTJZSA-N 1 1 317.392 3.613 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CCO2)c1 ZINC000862254154 1033799138 /nfs/dbraw/zinc/79/91/38/1033799138.db2.gz WKLYVHBXZGQDOX-FQEVSTJZSA-N 1 1 317.392 3.613 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@H](C2CCC2)C1)c1ccccc1 ZINC000878716700 1033807466 /nfs/dbraw/zinc/80/74/66/1033807466.db2.gz NROBSHNIRRICPC-ICSRJNTNSA-N 1 1 310.441 3.549 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878886697 1033857483 /nfs/dbraw/zinc/85/74/83/1033857483.db2.gz NTMQEKLWIDPRHO-XHDPSFHLSA-N 1 1 313.228 3.652 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878886697 1033857493 /nfs/dbraw/zinc/85/74/93/1033857493.db2.gz NTMQEKLWIDPRHO-XHDPSFHLSA-N 1 1 313.228 3.652 20 30 DHEDMO C#CC[C@H]1CC[N@@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000862448069 1033859299 /nfs/dbraw/zinc/85/92/99/1033859299.db2.gz WKWSTNNAQPITSV-KRWDZBQOSA-N 1 1 310.466 3.774 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1 ZINC000862541298 1033881770 /nfs/dbraw/zinc/88/17/70/1033881770.db2.gz SQIFRMWDRKXOQV-MAUKXSAKSA-N 1 1 322.408 3.673 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1 ZINC000862541300 1033883701 /nfs/dbraw/zinc/88/37/01/1033883701.db2.gz SQIFRMWDRKXOQV-YJBOKZPZSA-N 1 1 322.408 3.673 20 30 DHEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000339040490 1033902198 /nfs/dbraw/zinc/90/21/98/1033902198.db2.gz PHWDONPCITUPNE-GOSISDBHSA-N 1 1 313.445 3.957 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCCC2(CC2)CC1)c1ccccc1 ZINC000879063877 1033911448 /nfs/dbraw/zinc/91/14/48/1033911448.db2.gz VBHWQAVTIKHMQO-FQEVSTJZSA-N 1 1 310.441 3.693 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3ccc(C#N)o3)cc2)C1 ZINC000174269877 1033916872 /nfs/dbraw/zinc/91/68/72/1033916872.db2.gz WVJRBNRUNPLHRJ-MRXNPFEDSA-N 1 1 323.440 3.673 20 30 DHEDMO C=CCOCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000339043006 1033918855 /nfs/dbraw/zinc/91/88/55/1033918855.db2.gz LBJVHIHLVRQCJU-LLVKDONJSA-N 1 1 320.380 3.544 20 30 DHEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000879099292 1033922865 /nfs/dbraw/zinc/92/28/65/1033922865.db2.gz JRHAUKWGKUXLLG-FUHWJXTLSA-N 1 1 314.473 3.758 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)C1 ZINC000339050316 1033986737 /nfs/dbraw/zinc/98/67/37/1033986737.db2.gz BCMFIEZCJUAYIR-NFAWXSAZSA-N 1 1 313.376 3.839 20 30 DHEDMO Cc1cc(C[NH2+]C[C@@H](C#N)CCC#N)c(C)n1-c1ccccc1 ZINC000863387554 1034081342 /nfs/dbraw/zinc/08/13/42/1034081342.db2.gz CNINUXZQLMTGMH-QGZVFWFLSA-N 1 1 306.413 3.627 20 30 DHEDMO C[N@@H+](CCCSCC#N)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000554304632 1034084706 /nfs/dbraw/zinc/08/47/06/1034084706.db2.gz ZSXAASQYEFZGIJ-DLBZAZTESA-N 1 1 318.486 3.811 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCCCC2N=NCCC(F)(F)F)C1 ZINC000794546697 1034171754 /nfs/dbraw/zinc/17/17/54/1034171754.db2.gz AZBHIYONGROZKA-GUTXKFCHSA-N 1 1 319.415 3.805 20 30 DHEDMO Cc1csc([C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)n1 ZINC000880008600 1034180932 /nfs/dbraw/zinc/18/09/32/1034180932.db2.gz UPLDGLWXWAEGGU-OAHLLOKOSA-N 1 1 316.857 3.946 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880059860 1034197330 /nfs/dbraw/zinc/19/73/30/1034197330.db2.gz KICWEQMBGPOGOP-JMSVASOKSA-N 1 1 312.335 3.661 20 30 DHEDMO CCC1(CC)CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000880095675 1034205726 /nfs/dbraw/zinc/20/57/26/1034205726.db2.gz KCZDHFCDHJUVGQ-UHFFFAOYSA-N 1 1 305.447 3.603 20 30 DHEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(C(F)(F)F)nc1 ZINC000880098946 1034209597 /nfs/dbraw/zinc/20/95/97/1034209597.db2.gz ZNMIVXCBCBQTJB-SNVBAGLBSA-N 1 1 323.293 3.962 20 30 DHEDMO CCC1(CC)CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000880096012 1034209678 /nfs/dbraw/zinc/20/96/78/1034209678.db2.gz XVJTWSXFUZEIGD-UHFFFAOYSA-N 1 1 310.401 3.763 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880277809 1034274144 /nfs/dbraw/zinc/27/41/44/1034274144.db2.gz PTZMFFOQVSVFRG-RDJZCZTQSA-N 1 1 308.429 3.948 20 30 DHEDMO CC[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1nccs1 ZINC000119863302 1034291629 /nfs/dbraw/zinc/29/16/29/1034291629.db2.gz ZDEDQCRBSQPCDK-SWLSCSKDSA-N 1 1 301.415 3.675 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@](C)(OC)C2)c1O ZINC000794652925 1034329660 /nfs/dbraw/zinc/32/96/60/1034329660.db2.gz BJBYYRGUSHXPFB-IBGZPJMESA-N 1 1 319.445 3.520 20 30 DHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](Cc1cc(C)cs1)CCO2 ZINC001137156179 1034348572 /nfs/dbraw/zinc/34/85/72/1034348572.db2.gz WLJDWYIQXSYWHH-SJLPKXTDSA-N 1 1 321.486 3.630 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)cc1 ZINC000880578632 1034367165 /nfs/dbraw/zinc/36/71/65/1034367165.db2.gz RKRFIFSYGMRIGY-FQEVSTJZSA-N 1 1 312.457 3.781 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000554946401 1034427529 /nfs/dbraw/zinc/42/75/29/1034427529.db2.gz RZHXIUYOVWDHQV-HXUWFJFHSA-N 1 1 304.393 3.528 20 30 DHEDMO C[C@]1(C/N=C/c2ccccc2O)CCC[N@H+]1Cc1ccccc1 ZINC000777402267 1034451972 /nfs/dbraw/zinc/45/19/72/1034451972.db2.gz VLTXAECPAPZDPT-DOAWATSRSA-N 1 1 308.425 3.866 20 30 DHEDMO C=CCCCCn1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000881196665 1034559041 /nfs/dbraw/zinc/55/90/41/1034559041.db2.gz XSDBOMHKPIGDSR-IBGZPJMESA-N 1 1 310.445 3.802 20 30 DHEDMO CCC[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000185858120 1034579084 /nfs/dbraw/zinc/57/90/84/1034579084.db2.gz MGAXYIVGZOPKCD-INIZCTEOSA-N 1 1 310.401 3.763 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C3CC3)C2)c(Br)c1 ZINC000481116320 1034590744 /nfs/dbraw/zinc/59/07/44/1034590744.db2.gz MKEGUWAGLQSOAF-ZDUSSCGKSA-N 1 1 305.219 3.553 20 30 DHEDMO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)o1 ZINC000865417895 1034637040 /nfs/dbraw/zinc/63/70/40/1034637040.db2.gz BFBGLLQPXZZORY-DYVFJYSZSA-N 1 1 309.413 3.630 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001174889866 1034642862 /nfs/dbraw/zinc/64/28/62/1034642862.db2.gz AAWLIBMEVGTNPQ-DLBZAZTESA-N 1 1 322.493 3.922 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1OC1CC1 ZINC000600109287 1034738502 /nfs/dbraw/zinc/73/85/02/1034738502.db2.gz IRINXDSKHWYGKI-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO N#Cc1ccc(C2=CC[N@H+](Cc3cnc(C4CC4)o3)CC2)cc1 ZINC000600135561 1034760416 /nfs/dbraw/zinc/76/04/16/1034760416.db2.gz ZEVBQZGPOWMQKD-UHFFFAOYSA-N 1 1 305.381 3.713 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cnc(C4CC4)o3)CC2)cc1 ZINC000600135561 1034760429 /nfs/dbraw/zinc/76/04/29/1034760429.db2.gz ZEVBQZGPOWMQKD-UHFFFAOYSA-N 1 1 305.381 3.713 20 30 DHEDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481376779 1034788757 /nfs/dbraw/zinc/78/87/57/1034788757.db2.gz XURUQVXJWXMMET-LRDDRELGSA-N 1 1 319.836 3.661 20 30 DHEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000481376744 1034790387 /nfs/dbraw/zinc/79/03/87/1034790387.db2.gz XERHBAUKLKQOEY-XHDPSFHLSA-N 1 1 307.235 3.941 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCc4c(O)cccc4C3)cc2)CC1 ZINC000600207186 1034810953 /nfs/dbraw/zinc/81/09/53/1034810953.db2.gz JXBNZMYTXTVFOI-UHFFFAOYSA-N 1 1 304.393 3.506 20 30 DHEDMO CC(C)c1ccc(CN2CC[NH+](CCC(C)(C)C#N)CC2)cc1 ZINC000555604356 1034830915 /nfs/dbraw/zinc/83/09/15/1034830915.db2.gz KJRIBLYJQIACBP-UHFFFAOYSA-N 1 1 313.489 3.867 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(Br)c2)no1 ZINC000899994313 1035001864 /nfs/dbraw/zinc/00/18/64/1035001864.db2.gz YBUVRWALYOQLLR-GFCCVEGCSA-N 1 1 322.206 3.855 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2cccc3cccnc32)no1 ZINC000899994650 1035004218 /nfs/dbraw/zinc/00/42/18/1035004218.db2.gz KRHZFQYLWHNQEY-HNNXBMFYSA-N 1 1 308.385 3.565 20 30 DHEDMO C=CCCC[N@H+](C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000159755994 1035088359 /nfs/dbraw/zinc/08/83/59/1035088359.db2.gz PGVCMEAMTKGLNQ-UHFFFAOYSA-N 1 1 308.223 3.723 20 30 DHEDMO C=CCCC[N@H+](C)Cc1nc2cc(Br)ccc2[nH]1 ZINC000159755994 1035088339 /nfs/dbraw/zinc/08/83/39/1035088339.db2.gz PGVCMEAMTKGLNQ-UHFFFAOYSA-N 1 1 308.223 3.723 20 30 DHEDMO C=CCCC[N@@H+](C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000159755994 1035088349 /nfs/dbraw/zinc/08/83/49/1035088349.db2.gz PGVCMEAMTKGLNQ-UHFFFAOYSA-N 1 1 308.223 3.723 20 30 DHEDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000482590568 1035141689 /nfs/dbraw/zinc/14/16/89/1035141689.db2.gz IAGJHAXIKQTHQK-KRWDZBQOSA-N 1 1 300.402 3.922 20 30 DHEDMO C#Cc1cccc(Nc2cc[nH+]c(CNC(=O)OC(C)(C)C)c2)c1 ZINC001175973827 1035171491 /nfs/dbraw/zinc/17/14/91/1035171491.db2.gz GACDNXNMXHDFAS-UHFFFAOYSA-N 1 1 323.396 3.831 20 30 DHEDMO Cc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c(F)c1F ZINC001176093359 1035194988 /nfs/dbraw/zinc/19/49/88/1035194988.db2.gz LOVHQRONKVUVFU-UHFFFAOYSA-N 1 1 319.380 3.938 20 30 DHEDMO CC#CCC[N@@H+](CCc1ccccn1)Cc1ccc(OC)cc1 ZINC000483072267 1035220931 /nfs/dbraw/zinc/22/09/31/1035220931.db2.gz JWAZSVFPRMNQFL-UHFFFAOYSA-N 1 1 308.425 3.548 20 30 DHEDMO C#CC[N@H+](CCC(=O)Nc1cccc2ccccc21)C(C)(C)C ZINC001176280454 1035232415 /nfs/dbraw/zinc/23/24/15/1035232415.db2.gz BXELGKOBLCWCHQ-UHFFFAOYSA-N 1 1 308.425 3.902 20 30 DHEDMO CC(C)(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000483229379 1035245441 /nfs/dbraw/zinc/24/54/41/1035245441.db2.gz DNPGMZGBIVEMDA-INIZCTEOSA-N 1 1 313.445 3.645 20 30 DHEDMO C=CC[N@H+](CCOC)C[C@H](C)c1cccc(Br)c1 ZINC000483419442 1035267481 /nfs/dbraw/zinc/26/74/81/1035267481.db2.gz KSIDYAJOSBZUGL-ZDUSSCGKSA-N 1 1 312.251 3.687 20 30 DHEDMO CC[N@@H+](CC#Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000483539011 1035278044 /nfs/dbraw/zinc/27/80/44/1035278044.db2.gz AFHAVPZLPWKLOK-UHFFFAOYSA-N 1 1 309.409 3.577 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)c(F)c1 ZINC000483537445 1035278697 /nfs/dbraw/zinc/27/86/97/1035278697.db2.gz OAYOLYAHYUCRQH-UHFFFAOYSA-N 1 1 310.372 3.894 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC001176642164 1035306050 /nfs/dbraw/zinc/30/60/50/1035306050.db2.gz WZSFWEFYTAWHKU-MRXNPFEDSA-N 1 1 306.862 3.929 20 30 DHEDMO C[C@H]1CCN(CC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000483925870 1035309108 /nfs/dbraw/zinc/30/91/08/1035309108.db2.gz JDCNMTWCGULNIT-FQEVSTJZSA-N 1 1 318.464 3.635 20 30 DHEDMO C[C@@H]1CCN(CC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000483925873 1035309347 /nfs/dbraw/zinc/30/93/47/1035309347.db2.gz JDCNMTWCGULNIT-HXUWFJFHSA-N 1 1 318.464 3.635 20 30 DHEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000484080344 1035316638 /nfs/dbraw/zinc/31/66/38/1035316638.db2.gz CSSGPIYFDPMYHM-DJJJIMSYSA-N 1 1 310.372 3.521 20 30 DHEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC001176833168 1035332806 /nfs/dbraw/zinc/33/28/06/1035332806.db2.gz SKFLRLJIXATBIV-LJQANCHMSA-N 1 1 306.409 3.648 20 30 DHEDMO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC001176833168 1035332807 /nfs/dbraw/zinc/33/28/07/1035332807.db2.gz SKFLRLJIXATBIV-LJQANCHMSA-N 1 1 306.409 3.648 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCCC[C@H]2[C@H]2CCCO2)cc1 ZINC001176927670 1035336969 /nfs/dbraw/zinc/33/69/69/1035336969.db2.gz VOUZNCBTHBGTAJ-ZWKOTPCHSA-N 1 1 303.833 3.725 20 30 DHEDMO CC[C@@H](CSC)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000773700476 1035386594 /nfs/dbraw/zinc/38/65/94/1035386594.db2.gz AGFQLEULXFCOCE-AWEZNQCLSA-N 1 1 312.866 3.816 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2ccccc2OC(F)F)no1 ZINC000904546988 1035424768 /nfs/dbraw/zinc/42/47/68/1035424768.db2.gz YTGBWMRVHCJHRQ-LBPRGKRZSA-N 1 1 323.343 3.618 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(COc2ccc(Cl)cc2)no1 ZINC000904551540 1035425326 /nfs/dbraw/zinc/42/53/26/1035425326.db2.gz NBYHJNANFVDRJI-ZDUSSCGKSA-N 1 1 307.781 3.658 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cccc(OC(C)C)c2)no1 ZINC000904583633 1035426824 /nfs/dbraw/zinc/42/68/24/1035426824.db2.gz LFJVAZFWOXFDJB-HNNXBMFYSA-N 1 1 301.390 3.880 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(-n3ccc(C)n3)cc2)no1 ZINC000904736163 1035450156 /nfs/dbraw/zinc/45/01/56/1035450156.db2.gz OGFFBTSMCHUOKH-INIZCTEOSA-N 1 1 323.400 3.587 20 30 DHEDMO CC#CC(=O)Nc1cc2[nH+]c3cc(N(C)C)ccc3cc2cc1C ZINC001179754744 1035501326 /nfs/dbraw/zinc/50/13/26/1035501326.db2.gz NQTZCXPWLHNQHH-UHFFFAOYSA-N 1 1 317.392 3.724 20 30 DHEDMO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000485238417 1035501897 /nfs/dbraw/zinc/50/18/97/1035501897.db2.gz ZIENKZXQKZCLNM-CVEARBPZSA-N 1 1 306.409 3.834 20 30 DHEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC001179920560 1035549113 /nfs/dbraw/zinc/54/91/13/1035549113.db2.gz USTHNJMNXYLQHL-ZWKOTPCHSA-N 1 1 316.445 3.592 20 30 DHEDMO Cc1cc(C[N@@H+](C)CCCOc2ccc(F)cc2)ccc1C#N ZINC001179984434 1035555319 /nfs/dbraw/zinc/55/53/19/1035555319.db2.gz PUBAVZXISFMAKQ-UHFFFAOYSA-N 1 1 312.388 3.907 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000668493240 1035667285 /nfs/dbraw/zinc/66/72/85/1035667285.db2.gz LGPOLKDWTUQBGB-LPHOPBHVSA-N 1 1 301.430 3.642 20 30 DHEDMO C=CC[N@@H+](C)CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000494639855 1035754686 /nfs/dbraw/zinc/75/46/86/1035754686.db2.gz XRAKCSCRGOWIDB-MRXNPFEDSA-N 1 1 306.425 3.537 20 30 DHEDMO C=CC[N@H+](C)CC(=O)N[C@H](CC(C)(C)C)c1ccc(F)cc1 ZINC000494639855 1035754704 /nfs/dbraw/zinc/75/47/04/1035754704.db2.gz XRAKCSCRGOWIDB-MRXNPFEDSA-N 1 1 306.425 3.537 20 30 DHEDMO COCC[N@@H+](Cc1c(C)cc(C#N)cc1C)[C@H]1CC[C@H](C)C1 ZINC001193977808 1035783474 /nfs/dbraw/zinc/78/34/74/1035783474.db2.gz WTVBYZYQCCUCLC-KSSFIOAISA-N 1 1 300.446 3.812 20 30 DHEDMO C[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)[N@@H+]1CCCC[C@H]1C ZINC000539607481 1035792136 /nfs/dbraw/zinc/79/21/36/1035792136.db2.gz KAMHBTSXCNUCLG-KFWWJZLASA-N 1 1 303.425 3.611 20 30 DHEDMO C[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)[N@H+]1CCCC[C@H]1C ZINC000539607481 1035792150 /nfs/dbraw/zinc/79/21/50/1035792150.db2.gz KAMHBTSXCNUCLG-KFWWJZLASA-N 1 1 303.425 3.611 20 30 DHEDMO CCCCCCC[C@H](C)C(=O)N1CCc2[nH]c(C)[nH+]c2CC1 ZINC001181112312 1035834014 /nfs/dbraw/zinc/83/40/14/1035834014.db2.gz NZEOXIXEZDXHNL-AWEZNQCLSA-N 1 1 305.466 3.642 20 30 DHEDMO C=CCCC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC001194154810 1035851508 /nfs/dbraw/zinc/85/15/08/1035851508.db2.gz XGSGVLHTHWXGIZ-QGZVFWFLSA-N 1 1 308.466 3.676 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc2[nH]cnc2c1 ZINC000539823252 1035882116 /nfs/dbraw/zinc/88/21/16/1035882116.db2.gz XMFNOYJWGOSPHY-XLIONFOSSA-N 1 1 316.408 3.835 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC000539823252 1035882132 /nfs/dbraw/zinc/88/21/32/1035882132.db2.gz XMFNOYJWGOSPHY-XLIONFOSSA-N 1 1 316.408 3.835 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC000539823252 1035882153 /nfs/dbraw/zinc/88/21/53/1035882153.db2.gz XMFNOYJWGOSPHY-XLIONFOSSA-N 1 1 316.408 3.835 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@H](CO)C(C)(C)C)cc1Cl ZINC000539864358 1035909027 /nfs/dbraw/zinc/90/90/27/1035909027.db2.gz YWMVHFPWZCAQCX-MRXNPFEDSA-N 1 1 311.853 3.744 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)C1CC1 ZINC000540056963 1035962391 /nfs/dbraw/zinc/96/23/91/1035962391.db2.gz XEOIQVKTLLFKAN-FQEVSTJZSA-N 1 1 312.457 3.685 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)C1CC1 ZINC000540056963 1035962414 /nfs/dbraw/zinc/96/24/14/1035962414.db2.gz XEOIQVKTLLFKAN-FQEVSTJZSA-N 1 1 312.457 3.685 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC001194754412 1036001676 /nfs/dbraw/zinc/00/16/76/1036001676.db2.gz CZILNRMOMZMVBT-INIZCTEOSA-N 1 1 323.415 3.717 20 30 DHEDMO C=CCC[C@H]([NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)C(=O)OCC ZINC001181828262 1036010812 /nfs/dbraw/zinc/01/08/12/1036010812.db2.gz SAEDIHSBSLOADQ-FHWLQOOXSA-N 1 1 315.457 3.885 20 30 DHEDMO CCCCC[N@@H+](C)CCC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC001181859765 1036020628 /nfs/dbraw/zinc/02/06/28/1036020628.db2.gz RCWLJABEZPJFHT-UHFFFAOYSA-N 1 1 318.465 3.565 20 30 DHEDMO C=C(C)CC[N@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC001194845009 1036063237 /nfs/dbraw/zinc/06/32/37/1036063237.db2.gz CMAKKVDWDPUEFF-KRWDZBQOSA-N 1 1 308.466 3.866 20 30 DHEDMO C[C@H](C[N@@H+](C)CCC1(C#N)CCCCC1)C(=O)OC(C)(C)C ZINC001194965306 1036091243 /nfs/dbraw/zinc/09/12/43/1036091243.db2.gz UULVWJGMEIHFRC-OAHLLOKOSA-N 1 1 308.466 3.760 20 30 DHEDMO C=C(C)CC[N@@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000775626446 1036101229 /nfs/dbraw/zinc/10/12/29/1036101229.db2.gz XLTBTJXZYIXNTE-UHFFFAOYSA-N 1 1 308.466 3.817 20 30 DHEDMO C[C@@H](NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000540597260 1036108198 /nfs/dbraw/zinc/10/81/98/1036108198.db2.gz MVLZOESPVDLJJN-IXDOHACOSA-N 1 1 313.489 3.965 20 30 DHEDMO C[C@@H]([NH2+]CC(C)(C)N1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000540597260 1036108208 /nfs/dbraw/zinc/10/82/08/1036108208.db2.gz MVLZOESPVDLJJN-IXDOHACOSA-N 1 1 313.489 3.965 20 30 DHEDMO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)N1CCC(C)CC1 ZINC000540597865 1036110471 /nfs/dbraw/zinc/11/04/71/1036110471.db2.gz XWIYAYSDIFAAOC-FXAWDEMLSA-N 1 1 313.489 3.965 20 30 DHEDMO C#CC[N@H+](Cc1ccc2c(c1)ncn2C)[C@H]1CCc2ccccc21 ZINC000775631734 1036119177 /nfs/dbraw/zinc/11/91/77/1036119177.db2.gz VBFUOOKDZIRNHY-FQEVSTJZSA-N 1 1 315.420 3.696 20 30 DHEDMO C=CCC[C@@H](C(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000495010575 1036183785 /nfs/dbraw/zinc/18/37/85/1036183785.db2.gz XRXGCQSQXUEMRC-PKOBYXMFSA-N 1 1 314.473 3.585 20 30 DHEDMO COc1cccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1OC ZINC000487824436 1036186979 /nfs/dbraw/zinc/18/69/79/1036186979.db2.gz SWCUAOOAYRMELM-AWEZNQCLSA-N 1 1 310.397 3.768 20 30 DHEDMO C#CC[N@H+](CC)Cc1ccc(OC(F)F)c(Br)c1 ZINC000775663101 1036275526 /nfs/dbraw/zinc/27/55/26/1036275526.db2.gz YTILNUGEJPGCNV-UHFFFAOYSA-N 1 1 318.161 3.506 20 30 DHEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccccc1N1CCCC1 ZINC000541282684 1036285846 /nfs/dbraw/zinc/28/58/46/1036285846.db2.gz OQWXCAZPISNCBA-UHFFFAOYSA-N 1 1 319.452 3.985 20 30 DHEDMO CCCCCCCC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000914735360 1036287602 /nfs/dbraw/zinc/28/76/02/1036287602.db2.gz LCFLZJOKPKYPMZ-OAHLLOKOSA-N 1 1 322.518 3.971 20 30 DHEDMO CCCCCCCC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000914735360 1036287616 /nfs/dbraw/zinc/28/76/16/1036287616.db2.gz LCFLZJOKPKYPMZ-OAHLLOKOSA-N 1 1 322.518 3.971 20 30 DHEDMO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000541388015 1036316935 /nfs/dbraw/zinc/31/69/35/1036316935.db2.gz UDIRLSZDXWINCK-CYBMUJFWSA-N 1 1 319.836 3.518 20 30 DHEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)[C@@H](C)Cc1ccsc1 ZINC000495199412 1036338245 /nfs/dbraw/zinc/33/82/45/1036338245.db2.gz COTJVNCEHRSSLC-HNNXBMFYSA-N 1 1 314.454 3.952 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC001195825350 1036360697 /nfs/dbraw/zinc/36/06/97/1036360697.db2.gz IJKJNMISWZFAKZ-QGZVFWFLSA-N 1 1 314.429 3.600 20 30 DHEDMO C=CCCCCC[NH+]1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000486703995 1036366979 /nfs/dbraw/zinc/36/69/79/1036366979.db2.gz UBBBECBIFAJEIE-UHFFFAOYSA-N 1 1 306.475 3.561 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC001195946173 1036400896 /nfs/dbraw/zinc/40/08/96/1036400896.db2.gz IHYLHYLLZQHSKZ-CQSZACIVSA-N 1 1 306.837 3.957 20 30 DHEDMO CCCCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000486812935 1036419170 /nfs/dbraw/zinc/41/91/70/1036419170.db2.gz PJEHGGNVTVDCQP-CQSZACIVSA-N 1 1 305.447 3.603 20 30 DHEDMO CCCCC[C@@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000486812935 1036419179 /nfs/dbraw/zinc/41/91/79/1036419179.db2.gz PJEHGGNVTVDCQP-CQSZACIVSA-N 1 1 305.447 3.603 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)CCc2ccc(F)cc21 ZINC001182655117 1036423747 /nfs/dbraw/zinc/42/37/47/1036423747.db2.gz VMNUTPSUFMBNQV-ZDUSSCGKSA-N 1 1 312.363 3.998 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@@H](C)COC ZINC001196047803 1036430382 /nfs/dbraw/zinc/43/03/82/1036430382.db2.gz FHXWCAOIOJCSLE-HNNXBMFYSA-N 1 1 319.445 3.665 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)[C@H](C)COC ZINC001196047804 1036430547 /nfs/dbraw/zinc/43/05/47/1036430547.db2.gz FHXWCAOIOJCSLE-OAHLLOKOSA-N 1 1 319.445 3.665 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001182795756 1036445003 /nfs/dbraw/zinc/44/50/03/1036445003.db2.gz KKONYTZLDCEKBN-OAGGEKHMSA-N 1 1 308.466 3.578 20 30 DHEDMO CC#CCCCCCCCC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001182771466 1036453162 /nfs/dbraw/zinc/45/31/62/1036453162.db2.gz AHXJVLIJSMFSPA-MOPGFXCFSA-N 1 1 320.521 3.975 20 30 DHEDMO N#Cc1cccc(OCC[NH2+][C@@H](C(F)F)C2CCCCC2)c1 ZINC001196262747 1036485545 /nfs/dbraw/zinc/48/55/45/1036485545.db2.gz JGEJXVXZQJZRDZ-MRXNPFEDSA-N 1 1 308.372 3.741 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)c(C#N)c1C ZINC000443660505 1036487118 /nfs/dbraw/zinc/48/71/18/1036487118.db2.gz SBIQIKOVTQRAID-VXGBXAGGSA-N 1 1 319.474 3.543 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001183065940 1036514716 /nfs/dbraw/zinc/51/47/16/1036514716.db2.gz SMHXPZSYYGSZNQ-BRWVUGGUSA-N 1 1 322.493 3.920 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(CC#N)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000542200381 1036527145 /nfs/dbraw/zinc/52/71/45/1036527145.db2.gz KCSVTNBRHBYJFV-UHFFFAOYSA-N 1 1 321.380 3.849 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000774583491 1036527249 /nfs/dbraw/zinc/52/72/49/1036527249.db2.gz RQPLRZIHGGNXHH-GOSISDBHSA-N 1 1 317.791 3.648 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929726671 1036532157 /nfs/dbraw/zinc/53/21/57/1036532157.db2.gz TXTDJAAQFSGFTO-GTPINHCMSA-N 1 1 300.446 3.888 20 30 DHEDMO N#Cc1cncc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC000929732203 1036538503 /nfs/dbraw/zinc/53/85/03/1036538503.db2.gz OAZJRFAOAKAYFC-HNNXBMFYSA-N 1 1 309.438 3.567 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(OCC)c1)c1ccc(F)cc1 ZINC000491691967 1036626608 /nfs/dbraw/zinc/62/66/08/1036626608.db2.gz GNXSGQUXBVMWLO-KRWDZBQOSA-N 1 1 313.372 3.697 20 30 DHEDMO C[C@@H]([NH2+]Cc1sc(N(C)C)nc1Cl)c1cccc(C#N)c1 ZINC001183800790 1036677065 /nfs/dbraw/zinc/67/70/65/1036677065.db2.gz PJZQQBKEYDYBDA-SNVBAGLBSA-N 1 1 320.849 3.585 20 30 DHEDMO CCCCCCCC[C@H]1C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C ZINC001273737099 1036688484 /nfs/dbraw/zinc/68/84/84/1036688484.db2.gz AXJCADHCNZJCKB-XSLAGTTESA-N 1 1 306.494 3.678 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c1=S ZINC000915210125 1036705759 /nfs/dbraw/zinc/70/57/59/1036705759.db2.gz UJDZLCUILFVECK-BPUTZDHNSA-N 1 1 320.506 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c1=S ZINC000915210125 1036705777 /nfs/dbraw/zinc/70/57/77/1036705777.db2.gz UJDZLCUILFVECK-BPUTZDHNSA-N 1 1 320.506 3.767 20 30 DHEDMO CC(C)(C)[C@H]1CSCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001197294717 1036742443 /nfs/dbraw/zinc/74/24/43/1036742443.db2.gz BWBOJDJGRQHMRU-QGZVFWFLSA-N 1 1 318.486 3.791 20 30 DHEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(Br)cc2Cl)C1 ZINC001197701145 1036847024 /nfs/dbraw/zinc/84/70/24/1036847024.db2.gz CUSPLVBONNIVEX-NSHDSACASA-N 1 1 312.638 3.948 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Br)cc2Cl)C1 ZINC001197701145 1036847043 /nfs/dbraw/zinc/84/70/43/1036847043.db2.gz CUSPLVBONNIVEX-NSHDSACASA-N 1 1 312.638 3.948 20 30 DHEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000492584050 1036933479 /nfs/dbraw/zinc/93/34/79/1036933479.db2.gz SOUASLSGHMGJCG-CYBMUJFWSA-N 1 1 305.219 3.553 20 30 DHEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc(C#N)ccc1Br ZINC000492634501 1036951447 /nfs/dbraw/zinc/95/14/47/1036951447.db2.gz XGVIMUMRFCUTEM-RISCZKNCSA-N 1 1 307.235 3.941 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(OCC)cn1)[C@@H]1CCCc2ccccc21 ZINC001198104848 1036953459 /nfs/dbraw/zinc/95/34/59/1036953459.db2.gz UCYUMFBEDMBNAG-OAQYLSRUSA-N 1 1 320.436 3.993 20 30 DHEDMO C#CC[N@H+](Cc1ccc(OCC)cn1)[C@@H]1CCCc2ccccc21 ZINC001198104848 1036953479 /nfs/dbraw/zinc/95/34/79/1036953479.db2.gz UCYUMFBEDMBNAG-OAQYLSRUSA-N 1 1 320.436 3.993 20 30 DHEDMO Cc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)ccc1C#N ZINC000488413765 1037012779 /nfs/dbraw/zinc/01/27/79/1037012779.db2.gz ZRDGNVBWIJNJML-OXQOHEQNSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)ccc1C#N ZINC000488413765 1037012799 /nfs/dbraw/zinc/01/27/99/1037012799.db2.gz ZRDGNVBWIJNJML-OXQOHEQNSA-N 1 1 306.409 3.829 20 30 DHEDMO C=CCC[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC001198414417 1037016068 /nfs/dbraw/zinc/01/60/68/1037016068.db2.gz RBDNSQBCQQIYRV-QUCCMNQESA-N 1 1 312.457 3.685 20 30 DHEDMO C=CCC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C)c(F)c1 ZINC001198414112 1037016223 /nfs/dbraw/zinc/01/62/23/1037016223.db2.gz BMVCBXUDQJXHQC-MRXNPFEDSA-N 1 1 304.409 3.893 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)ccc1C#N ZINC000488452910 1037031649 /nfs/dbraw/zinc/03/16/49/1037031649.db2.gz YTILUZPYTZMORT-HXUWFJFHSA-N 1 1 320.436 3.905 20 30 DHEDMO C=C(C)CN(CC)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000175647837 1037066595 /nfs/dbraw/zinc/06/65/95/1037066595.db2.gz ZHNVCGLCIPCGNN-KRWDZBQOSA-N 1 1 317.477 3.505 20 30 DHEDMO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000495898837 1037110204 /nfs/dbraw/zinc/11/02/04/1037110204.db2.gz QCROLLASOULFCK-INIZCTEOSA-N 1 1 323.481 3.696 20 30 DHEDMO CC(C)(C)C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000488727435 1037113698 /nfs/dbraw/zinc/11/36/98/1037113698.db2.gz OBRAWRMRTTXIMI-QGZVFWFLSA-N 1 1 313.445 3.787 20 30 DHEDMO Cc1cc(Br)cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000774911166 1037208467 /nfs/dbraw/zinc/20/84/67/1037208467.db2.gz VZJBBWNBUAFIJC-LBPRGKRZSA-N 1 1 307.235 3.882 20 30 DHEDMO Cc1cc(Br)cc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000774911166 1037208476 /nfs/dbraw/zinc/20/84/76/1037208476.db2.gz VZJBBWNBUAFIJC-LBPRGKRZSA-N 1 1 307.235 3.882 20 30 DHEDMO C=CCN1CCC([NH2+][C@@H](C)c2ccccc2Br)CC1 ZINC000177906472 1037280171 /nfs/dbraw/zinc/28/01/71/1037280171.db2.gz MLJSJLVBXQGGDC-ZDUSSCGKSA-N 1 1 323.278 3.750 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000776016215 1037311948 /nfs/dbraw/zinc/31/19/48/1037311948.db2.gz ZNWZNQVZCAZUPQ-CJNGLKHVSA-N 1 1 311.347 3.861 20 30 DHEDMO CCc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000489376791 1037396493 /nfs/dbraw/zinc/39/64/93/1037396493.db2.gz YKKUICIQZQQBSD-HNNXBMFYSA-N 1 1 321.424 3.752 20 30 DHEDMO CCc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000489376791 1037396504 /nfs/dbraw/zinc/39/65/04/1037396504.db2.gz YKKUICIQZQQBSD-HNNXBMFYSA-N 1 1 321.424 3.752 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000489404345 1037399493 /nfs/dbraw/zinc/39/94/93/1037399493.db2.gz PBIVVGHROVFSEM-HNNXBMFYSA-N 1 1 313.401 3.594 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000489404345 1037399510 /nfs/dbraw/zinc/39/95/10/1037399510.db2.gz PBIVVGHROVFSEM-HNNXBMFYSA-N 1 1 313.401 3.594 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000489426300 1037424212 /nfs/dbraw/zinc/42/42/12/1037424212.db2.gz MSIMVVMMIWEZAE-AWEZNQCLSA-N 1 1 303.793 3.931 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000489426300 1037424220 /nfs/dbraw/zinc/42/42/20/1037424220.db2.gz MSIMVVMMIWEZAE-AWEZNQCLSA-N 1 1 303.793 3.931 20 30 DHEDMO CCCC[N@H+](CCC#N)Cc1cc(Br)ccc1O ZINC001203643065 1037461404 /nfs/dbraw/zinc/46/14/04/1037461404.db2.gz RFOMYBBUYCBJBL-UHFFFAOYSA-N 1 1 311.223 3.670 20 30 DHEDMO CCCC[N@@H+](CCC#N)Cc1cc(Br)ccc1O ZINC001203643065 1037461424 /nfs/dbraw/zinc/46/14/24/1037461424.db2.gz RFOMYBBUYCBJBL-UHFFFAOYSA-N 1 1 311.223 3.670 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1SC ZINC000489494001 1037464417 /nfs/dbraw/zinc/46/44/17/1037464417.db2.gz ITZDPCNUGJTMTG-CQSZACIVSA-N 1 1 304.459 3.778 20 30 DHEDMO C=CCC(C)(C)CNC(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000489741104 1037528702 /nfs/dbraw/zinc/52/87/02/1037528702.db2.gz YGIIQXWWMRNRLE-QGZVFWFLSA-N 1 1 302.462 3.616 20 30 DHEDMO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)c(Cl)c1 ZINC000609239015 1037549116 /nfs/dbraw/zinc/54/91/16/1037549116.db2.gz DFKJFBHAUVCQHH-UHFFFAOYSA-N 1 1 304.752 3.649 20 30 DHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](CC1CCCCC1)C2 ZINC001201389033 1037646537 /nfs/dbraw/zinc/64/65/37/1037646537.db2.gz JJXUWLOHGVUDAR-LJQANCHMSA-N 1 1 304.478 3.600 20 30 DHEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCS1 ZINC000494147091 1037652595 /nfs/dbraw/zinc/65/25/95/1037652595.db2.gz YHKDRRJGDOSNBH-CYBMUJFWSA-N 1 1 313.388 3.884 20 30 DHEDMO CC[N@H+](Cc1ccc(F)c(C#N)c1)C[C@@H](O)c1ccc(C)cc1 ZINC000121583459 1037699870 /nfs/dbraw/zinc/69/98/70/1037699870.db2.gz OPEANNBKHFOVAL-LJQANCHMSA-N 1 1 312.388 3.561 20 30 DHEDMO CCCCCCCCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000916193920 1037706739 /nfs/dbraw/zinc/70/67/39/1037706739.db2.gz ABHJPXDALGCUHX-IRXDYDNUSA-N 1 1 309.498 3.663 20 30 DHEDMO C[N@@H+](CCCNc1ccc(C#N)cc1[N+](=O)[O-])C1CCCCC1 ZINC000029526831 1037778024 /nfs/dbraw/zinc/77/80/24/1037778024.db2.gz CPALKKWMHARWQS-UHFFFAOYSA-N 1 1 316.405 3.533 20 30 DHEDMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000916576702 1037790962 /nfs/dbraw/zinc/79/09/62/1037790962.db2.gz HOYDMVMAVMEQIB-HUUCEWRRSA-N 1 1 324.453 3.919 20 30 DHEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000916576702 1037790979 /nfs/dbraw/zinc/79/09/79/1037790979.db2.gz HOYDMVMAVMEQIB-HUUCEWRRSA-N 1 1 324.453 3.919 20 30 DHEDMO COc1ccc(C#N)cc1Nc1ccc(-n2cc[nH+]c2C)cc1 ZINC001201584383 1037792906 /nfs/dbraw/zinc/79/29/06/1037792906.db2.gz UYELMVNLNUJSDU-UHFFFAOYSA-N 1 1 304.353 3.805 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000185300718 1037796200 /nfs/dbraw/zinc/79/62/00/1037796200.db2.gz PSIYNDRXHKYRPP-APWZRJJASA-N 1 1 314.473 3.616 20 30 DHEDMO C#CCN(CC)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000490742740 1037801206 /nfs/dbraw/zinc/80/12/06/1037801206.db2.gz YVYALURMYOZSIJ-UHFFFAOYSA-N 1 1 324.428 3.542 20 30 DHEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC001201610458 1037810919 /nfs/dbraw/zinc/81/09/19/1037810919.db2.gz VYIYMWSTBGARSU-HXUWFJFHSA-N 1 1 306.409 3.644 20 30 DHEDMO CC[C@@H](C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000387379583 1037828380 /nfs/dbraw/zinc/82/83/80/1037828380.db2.gz NDZBRQITISJSLL-MRXNPFEDSA-N 1 1 321.424 3.797 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC000763404038 1037829003 /nfs/dbraw/zinc/82/90/03/1037829003.db2.gz QJYFAUYQXKXWEZ-TZIWHRDSSA-N 1 1 320.436 3.546 20 30 DHEDMO C#CC[N@@H+](CC1CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000763411204 1037829663 /nfs/dbraw/zinc/82/96/63/1037829663.db2.gz RJYFSJBWCSBBNJ-OAHLLOKOSA-N 1 1 320.230 3.618 20 30 DHEDMO Cc1cc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)ccc1C#N ZINC000488173433 1037850986 /nfs/dbraw/zinc/85/09/86/1037850986.db2.gz VAYUSGWVDXDEQZ-KSSFIOAISA-N 1 1 312.438 3.890 20 30 DHEDMO Cc1cc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)ccc1C#N ZINC000488173433 1037851008 /nfs/dbraw/zinc/85/10/08/1037851008.db2.gz VAYUSGWVDXDEQZ-KSSFIOAISA-N 1 1 312.438 3.890 20 30 DHEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](CCCCCC)C2)C1 ZINC001201743497 1037870976 /nfs/dbraw/zinc/87/09/76/1037870976.db2.gz RESJHXYPNSMVCH-SFHVURJKSA-N 1 1 308.466 3.677 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C ZINC000491001098 1037880427 /nfs/dbraw/zinc/88/04/27/1037880427.db2.gz YQHAGGVUBXGKLE-UHFFFAOYSA-N 1 1 316.493 3.809 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2nn(C)cc2[C@H](COCC2CC2)C1 ZINC001201762446 1037884136 /nfs/dbraw/zinc/88/41/36/1037884136.db2.gz LIPFBNLIWCXUKP-KRWDZBQOSA-N 1 1 319.493 3.716 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2c(cnn2CC)[C@H](COCC)C1 ZINC001201762363 1037884856 /nfs/dbraw/zinc/88/48/56/1037884856.db2.gz HMUPANYQETYWTL-INIZCTEOSA-N 1 1 307.482 3.809 20 30 DHEDMO CCCCCCC[N@H+]1CCCN(C(=O)Cc2ccccc2)CC1 ZINC001201798375 1037898068 /nfs/dbraw/zinc/89/80/68/1037898068.db2.gz WCXIDSNUHOSXJG-UHFFFAOYSA-N 1 1 316.489 3.734 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001201813462 1037902474 /nfs/dbraw/zinc/90/24/74/1037902474.db2.gz DOHGUMDNVIHECG-ZWKOTPCHSA-N 1 1 308.510 3.926 20 30 DHEDMO CCCCCCC[N@H+]1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 ZINC001201776292 1037903373 /nfs/dbraw/zinc/90/33/73/1037903373.db2.gz AKPQFMMVVOSRIY-HOCLYGCPSA-N 1 1 306.475 3.613 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC001201776557 1037905333 /nfs/dbraw/zinc/90/53/33/1037905333.db2.gz FNWYCYYEXJSHLP-SJORKVTESA-N 1 1 318.461 3.786 20 30 DHEDMO CCCCCCCCC[N@@H+]1CCn2c(C(=O)OCC)cnc2C1 ZINC001201852999 1037907654 /nfs/dbraw/zinc/90/76/54/1037907654.db2.gz WXNXDMLTFQBPMN-UHFFFAOYSA-N 1 1 321.465 3.626 20 30 DHEDMO CCCCCCCCC[N@H+]1CCn2c(C(=O)OCC)cnc2C1 ZINC001201852999 1037907667 /nfs/dbraw/zinc/90/76/67/1037907667.db2.gz WXNXDMLTFQBPMN-UHFFFAOYSA-N 1 1 321.465 3.626 20 30 DHEDMO CCCCCCCCC[N@@H+]1Cc2nccn2C[C@H](COC)C1 ZINC001201840114 1037917396 /nfs/dbraw/zinc/91/73/96/1037917396.db2.gz UHKOLZFANPVOSL-QGZVFWFLSA-N 1 1 307.482 3.712 20 30 DHEDMO CCCCCCCCN1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001201839508 1037917847 /nfs/dbraw/zinc/91/78/47/1037917847.db2.gz GBSGSJHKNNLIDO-UHFFFAOYSA-N 1 1 310.526 3.922 20 30 DHEDMO CCCCCCCCC[N@@H+]1Cc2nnn(CC)c2[C@@H](COC)C1 ZINC001201840040 1037917902 /nfs/dbraw/zinc/91/79/02/1037917902.db2.gz SEEBQQKWONTPEY-MRXNPFEDSA-N 1 1 322.497 3.594 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000775177956 1037921292 /nfs/dbraw/zinc/92/12/92/1037921292.db2.gz DVEPCPUYNQSGRO-GFCCVEGCSA-N 1 1 300.383 3.777 20 30 DHEDMO CCCCCCCCCC[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001201875345 1037927016 /nfs/dbraw/zinc/92/70/16/1037927016.db2.gz WHJUXDXGTUERDS-MRXNPFEDSA-N 1 1 303.512 3.636 20 30 DHEDMO C/C(=C\c1ccccc1)C[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000494241789 1037986786 /nfs/dbraw/zinc/98/67/86/1037986786.db2.gz OFTPAEBWQBFJJC-FOWTUZBSSA-N 1 1 319.408 3.532 20 30 DHEDMO C/C(=C\c1ccccc1)C[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000494241789 1037986813 /nfs/dbraw/zinc/98/68/13/1037986813.db2.gz OFTPAEBWQBFJJC-FOWTUZBSSA-N 1 1 319.408 3.532 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 ZINC000571186316 1038087643 /nfs/dbraw/zinc/08/76/43/1038087643.db2.gz YTDQNULQGWSXRK-UHFFFAOYSA-N 1 1 319.836 3.805 20 30 DHEDMO CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000609204297 1038100843 /nfs/dbraw/zinc/10/08/43/1038100843.db2.gz FDEIUCOCTIUDBT-CVEARBPZSA-N 1 1 319.493 3.570 20 30 DHEDMO Cc1ccc(C[N@@H+](CCCOc2ccc(C#N)cc2)C2CC2)o1 ZINC000917062706 1038149443 /nfs/dbraw/zinc/14/94/43/1038149443.db2.gz VEIBZFQBZDTVOE-UHFFFAOYSA-N 1 1 310.397 3.893 20 30 DHEDMO CN(C)c1ccc(C[N@@H+](Cc2cccc(C#N)c2)C2CC2)cc1 ZINC000917074006 1038160798 /nfs/dbraw/zinc/16/07/98/1038160798.db2.gz MSIGBCLGUJCPNZ-UHFFFAOYSA-N 1 1 305.425 3.789 20 30 DHEDMO C=CC[N@@H+](C[C@@H](O)COc1ccc(C(C)(C)C)cc1)C(C)C ZINC000917069555 1038167825 /nfs/dbraw/zinc/16/78/25/1038167825.db2.gz RWFDCWHGMNMADY-QGZVFWFLSA-N 1 1 305.462 3.620 20 30 DHEDMO C=CC[N@@H+](C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C(C)C ZINC000917069078 1038168371 /nfs/dbraw/zinc/16/83/71/1038168371.db2.gz GILKDUUHLHJUPV-WMLDXEAASA-N 1 1 311.853 3.675 20 30 DHEDMO C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000571689513 1038179946 /nfs/dbraw/zinc/17/99/46/1038179946.db2.gz UHHVJUZRRRCGGH-HOCLYGCPSA-N 1 1 310.445 3.853 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1C(C)(C)C ZINC001189608954 1038181441 /nfs/dbraw/zinc/18/14/41/1038181441.db2.gz QOIBBSVAVZLJFK-HNNXBMFYSA-N 1 1 315.461 3.756 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)CCc2cccs2)c(O)c(OC)c1 ZINC000164421545 1038188949 /nfs/dbraw/zinc/18/89/49/1038188949.db2.gz QKWBLJCKDCSGGX-UHFFFAOYSA-N 1 1 317.454 3.865 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCc2ccccc21 ZINC000917116955 1038216639 /nfs/dbraw/zinc/21/66/39/1038216639.db2.gz AORVZKHUWUNOMT-HXUWFJFHSA-N 1 1 304.368 3.820 20 30 DHEDMO C#CC[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCc2ccccc21 ZINC000917116955 1038216650 /nfs/dbraw/zinc/21/66/50/1038216650.db2.gz AORVZKHUWUNOMT-HXUWFJFHSA-N 1 1 304.368 3.820 20 30 DHEDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000775335965 1038237697 /nfs/dbraw/zinc/23/76/97/1038237697.db2.gz VRWXSAMVCBQHSH-NSHDSACASA-N 1 1 315.760 3.971 20 30 DHEDMO CCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000164820568 1038309225 /nfs/dbraw/zinc/30/92/25/1038309225.db2.gz QGHTZSTUMMOQKW-GFCCVEGCSA-N 1 1 307.825 3.661 20 30 DHEDMO C#CC[N@@H+](C[C@@H]1CCC2(CCC2)CO1)[C@H]1CCc2ccccc21 ZINC001190526458 1038333848 /nfs/dbraw/zinc/33/38/48/1038333848.db2.gz AFCDRJOFCXOFLW-ICSRJNTNSA-N 1 1 309.453 3.958 20 30 DHEDMO C#CC[N@@H+](Cc1cc(OC(C)C)ccn1)[C@H]1CCc2ccccc21 ZINC001190528345 1038337539 /nfs/dbraw/zinc/33/75/39/1038337539.db2.gz JWLYAEBPNWWFSN-NRFANRHFSA-N 1 1 320.436 3.992 20 30 DHEDMO C#CC[N@H+](Cc1cc(OC(C)C)ccn1)[C@H]1CCc2ccccc21 ZINC001190528345 1038337555 /nfs/dbraw/zinc/33/75/55/1038337555.db2.gz JWLYAEBPNWWFSN-NRFANRHFSA-N 1 1 320.436 3.992 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC001190550484 1038342011 /nfs/dbraw/zinc/34/20/11/1038342011.db2.gz KNPYHAMSQFDEKP-GBESFXJTSA-N 1 1 310.526 3.921 20 30 DHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCC[C@H]1O ZINC001190616676 1038344785 /nfs/dbraw/zinc/34/47/85/1038344785.db2.gz PUKLDRSBOWUQOC-RBUKOAKNSA-N 1 1 300.446 3.567 20 30 DHEDMO C=CCN(Cc1cccc(C#N)c1)C[C@H]1CCCC[N@@H+]1C(C)C ZINC001190642589 1038360828 /nfs/dbraw/zinc/36/08/28/1038360828.db2.gz DWOLDBJQWKDPIL-HXUWFJFHSA-N 1 1 311.473 3.809 20 30 DHEDMO C#CC[N@H+](CCCc1ccccc1OC)Cc1ccc(F)cc1 ZINC001190707456 1038367234 /nfs/dbraw/zinc/36/72/34/1038367234.db2.gz ILEHBDFJNDJCSO-UHFFFAOYSA-N 1 1 311.400 3.902 20 30 DHEDMO C#CCN(Cc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001190707216 1038368018 /nfs/dbraw/zinc/36/80/18/1038368018.db2.gz FULBUZBIYZEOLV-OAQYLSRUSA-N 1 1 322.427 3.535 20 30 DHEDMO C=CC[N@@H+](C[C@H]1CCC2(CCOCC2)O1)CC1CCCCC1 ZINC001190985619 1038413356 /nfs/dbraw/zinc/41/33/56/1038413356.db2.gz RHCXVGCAESIVJS-GOSISDBHSA-N 1 1 307.478 3.783 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000589280558 1038458227 /nfs/dbraw/zinc/45/82/27/1038458227.db2.gz RTODBAMKXNCGPN-UZLBHIALSA-N 1 1 317.436 3.756 20 30 DHEDMO Cc1ccc(CN2CC[C@@H](C[N@H+](C)[C@@H](C)CCC#N)C2)s1 ZINC000572606567 1038476004 /nfs/dbraw/zinc/47/60/04/1038476004.db2.gz XUZHRVWZLLCPKV-HOCLYGCPSA-N 1 1 305.491 3.503 20 30 DHEDMO C=C(Br)C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000775462071 1038507372 /nfs/dbraw/zinc/50/73/72/1038507372.db2.gz IPBPPKDUDZYULU-UHFFFAOYSA-N 1 1 302.162 3.842 20 30 DHEDMO C=CCOc1ccc(CNCC[N@H+](C)[C@H](C)CC)cc1Cl ZINC000589649180 1038528299 /nfs/dbraw/zinc/52/82/99/1038528299.db2.gz KBXXUOMZTCSVQE-CQSZACIVSA-N 1 1 310.869 3.725 20 30 DHEDMO C=CCOc1ccc(C[NH2+]CCN(C)[C@H](C)CC)cc1Cl ZINC000589649180 1038528304 /nfs/dbraw/zinc/52/83/04/1038528304.db2.gz KBXXUOMZTCSVQE-CQSZACIVSA-N 1 1 310.869 3.725 20 30 DHEDMO CCc1nnc(C[NH2+][C@@H](CCCC#N)c2ccccc2)s1 ZINC000590122658 1038586636 /nfs/dbraw/zinc/58/66/36/1038586636.db2.gz JWXURPOILPATGL-AWEZNQCLSA-N 1 1 300.431 3.625 20 30 DHEDMO C=C(C)CC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC001192371110 1038642231 /nfs/dbraw/zinc/64/22/31/1038642231.db2.gz XFPPDMYQNIJCBG-FXAWDEMLSA-N 1 1 315.505 3.889 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000590602149 1038675780 /nfs/dbraw/zinc/67/57/80/1038675780.db2.gz FZZVQDRFNGTLNB-QGZVFWFLSA-N 1 1 321.509 3.533 20 30 DHEDMO N#Cc1cccc(C[NH2+]CC2(N3CCCCC3)CCCCC2)c1 ZINC000057597169 1038686651 /nfs/dbraw/zinc/68/66/51/1038686651.db2.gz WNXIIFZIPWISIK-UHFFFAOYSA-N 1 1 311.473 3.837 20 30 DHEDMO N#CC1(CCCC[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)CCC1 ZINC001192955094 1038719381 /nfs/dbraw/zinc/71/93/81/1038719381.db2.gz FKMKKFFHGKKHRU-DLBZAZTESA-N 1 1 322.518 3.837 20 30 DHEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000591016071 1038744188 /nfs/dbraw/zinc/74/41/88/1038744188.db2.gz QWLIMMKOABFRNQ-QGZVFWFLSA-N 1 1 300.450 3.730 20 30 DHEDMO COc1ccc(C[N@@H+](C)CCC2(C#N)CCCCC2)cc1OC ZINC000591010705 1038744810 /nfs/dbraw/zinc/74/48/10/1038744810.db2.gz XVRKVYFIFBYOEG-UHFFFAOYSA-N 1 1 316.445 4.000 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000591045346 1038748174 /nfs/dbraw/zinc/74/81/74/1038748174.db2.gz HGZNJLHTGTYVEB-PMACEKPBSA-N 1 1 320.436 3.796 20 30 DHEDMO CC1(C)C[C@H](NCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000761292852 1038934047 /nfs/dbraw/zinc/93/40/47/1038934047.db2.gz DVPALVKLGWSDAX-FQEVSTJZSA-N 1 1 319.452 3.701 20 30 DHEDMO CC1(C)C[C@H](NCc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000761292852 1038934064 /nfs/dbraw/zinc/93/40/64/1038934064.db2.gz DVPALVKLGWSDAX-FQEVSTJZSA-N 1 1 319.452 3.701 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCc2nccc(Br)c2C1 ZINC000598946350 1038951216 /nfs/dbraw/zinc/95/12/16/1038951216.db2.gz PDVXRURJGHUWKM-UHFFFAOYSA-N 1 1 322.250 3.532 20 30 DHEDMO Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)nc1 ZINC000603433047 1038972841 /nfs/dbraw/zinc/97/28/41/1038972841.db2.gz QJUVMAICZOPZHJ-UHFFFAOYSA-N 1 1 305.303 3.570 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573493641 1038979336 /nfs/dbraw/zinc/97/93/36/1038979336.db2.gz FCYPUCBPJDXEFO-KDOFPFPSSA-N 1 1 321.380 3.844 20 30 DHEDMO COc1ccc(C[C@H]2CCCC[N@H+]2Cc2ccc(C#N)o2)cc1 ZINC000593676453 1039044500 /nfs/dbraw/zinc/04/45/00/1039044500.db2.gz JMRUESDVTHFUDL-MRXNPFEDSA-N 1 1 310.397 3.757 20 30 DHEDMO C[N@H+](Cc1ccncc1C#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000592066278 1039116211 /nfs/dbraw/zinc/11/62/11/1039116211.db2.gz ODQSTIKZDRXLSF-AZUAARDMSA-N 1 1 321.424 3.553 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599298692 1039116231 /nfs/dbraw/zinc/11/62/31/1039116231.db2.gz XIJJEFBSTZRIMW-KRWDZBQOSA-N 1 1 306.409 3.865 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000592072740 1039116466 /nfs/dbraw/zinc/11/64/66/1039116466.db2.gz FZVQUFDDRWEZLU-QGZVFWFLSA-N 1 1 316.408 3.814 20 30 DHEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccncc1C#N ZINC000592123258 1039124078 /nfs/dbraw/zinc/12/40/78/1039124078.db2.gz RIVVCYAVWFOSHW-KXBFYZLASA-N 1 1 321.424 3.935 20 30 DHEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccncc1C#N ZINC000592123258 1039124086 /nfs/dbraw/zinc/12/40/86/1039124086.db2.gz RIVVCYAVWFOSHW-KXBFYZLASA-N 1 1 321.424 3.935 20 30 DHEDMO Cc1ccc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1C#N ZINC000599338055 1039132580 /nfs/dbraw/zinc/13/25/80/1039132580.db2.gz AGGSNBOJKCOEJW-NRFANRHFSA-N 1 1 320.436 3.640 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CCC2)cc1 ZINC000592138932 1039132857 /nfs/dbraw/zinc/13/28/57/1039132857.db2.gz GCBKRSOWEXFSOB-OAQYLSRUSA-N 1 1 320.436 3.721 20 30 DHEDMO Cc1ccc(C[N@@H+](CCOc2ccc(C#N)cc2)CC2CC2)cn1 ZINC000592145563 1039137357 /nfs/dbraw/zinc/13/73/57/1039137357.db2.gz WKBZNBWZYKTGAB-UHFFFAOYSA-N 1 1 321.424 3.553 20 30 DHEDMO COc1c(C)cnc(C[N@H+](C)Cc2ccc(C)c(C#N)c2)c1C ZINC000599431655 1039159358 /nfs/dbraw/zinc/15/93/58/1039159358.db2.gz MZLBOXMGWZWRHY-UHFFFAOYSA-N 1 1 309.413 3.519 20 30 DHEDMO COc1c(C)cnc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)c1C ZINC000599431655 1039159368 /nfs/dbraw/zinc/15/93/68/1039159368.db2.gz MZLBOXMGWZWRHY-UHFFFAOYSA-N 1 1 309.413 3.519 20 30 DHEDMO COc1c(C)c[nH+]c(CN(C)Cc2ccc(C)c(C#N)c2)c1C ZINC000599431655 1039159377 /nfs/dbraw/zinc/15/93/77/1039159377.db2.gz MZLBOXMGWZWRHY-UHFFFAOYSA-N 1 1 309.413 3.519 20 30 DHEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc(Cl)c1F ZINC000783300500 1039160059 /nfs/dbraw/zinc/16/00/59/1039160059.db2.gz NUAHZLFZRWKVTC-HNNXBMFYSA-N 1 1 303.768 3.987 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)CC1 ZINC000599437044 1039161101 /nfs/dbraw/zinc/16/11/01/1039161101.db2.gz LXBNOILUACOOBV-ROUUACIJSA-N 1 1 310.441 3.658 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](O)[C@H]2CCc2ccccc2)c1 ZINC000592168558 1039162685 /nfs/dbraw/zinc/16/26/85/1039162685.db2.gz RNAYLXAWOLSESU-RTWAWAEBSA-N 1 1 320.436 3.516 20 30 DHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000592198245 1039180838 /nfs/dbraw/zinc/18/08/38/1039180838.db2.gz MLIKYMZIDVYNRB-SFHVURJKSA-N 1 1 311.429 3.541 20 30 DHEDMO CCC[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc(C#N)cc1 ZINC000603849150 1039182867 /nfs/dbraw/zinc/18/28/67/1039182867.db2.gz LNDDJIGGDMNEOO-UHFFFAOYSA-N 1 1 319.408 3.721 20 30 DHEDMO CC[N@@H+](CCSC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000592530769 1039224287 /nfs/dbraw/zinc/22/42/87/1039224287.db2.gz QUEFUCQOXQAKHF-UHFFFAOYSA-N 1 1 302.365 3.762 20 30 DHEDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677604 1039253987 /nfs/dbraw/zinc/25/39/87/1039253987.db2.gz AJIJTTVPRVCRBP-AWEZNQCLSA-N 1 1 321.380 3.780 20 30 DHEDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677604 1039253998 /nfs/dbraw/zinc/25/39/98/1039253998.db2.gz AJIJTTVPRVCRBP-AWEZNQCLSA-N 1 1 321.380 3.780 20 30 DHEDMO COc1cccc([C@@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599679863 1039267353 /nfs/dbraw/zinc/26/73/53/1039267353.db2.gz YRPMUGJGTKYMAR-OAHLLOKOSA-N 1 1 306.409 3.881 20 30 DHEDMO C/C=C/C[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000599689226 1039273122 /nfs/dbraw/zinc/27/31/22/1039273122.db2.gz HOEKJSVJIUBQEL-XYBNCVKDSA-N 1 1 322.412 3.786 20 30 DHEDMO CC[C@@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1cccc(C#N)c1 ZINC000604494612 1039486098 /nfs/dbraw/zinc/48/60/98/1039486098.db2.gz GZRWQSYFLGFXIR-CQSZACIVSA-N 1 1 302.418 3.500 20 30 DHEDMO CC[C@@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc(C#N)c1 ZINC000604494612 1039486105 /nfs/dbraw/zinc/48/61/05/1039486105.db2.gz GZRWQSYFLGFXIR-CQSZACIVSA-N 1 1 302.418 3.500 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000574570854 1039749624 /nfs/dbraw/zinc/74/96/24/1039749624.db2.gz SPCWLTXMTGPGBI-KRWDZBQOSA-N 1 1 318.436 3.510 20 30 DHEDMO C=CCCC[N@H+](C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000605903446 1039754975 /nfs/dbraw/zinc/75/49/75/1039754975.db2.gz RNNGNWGDHCEBBO-LBPRGKRZSA-N 1 1 318.244 3.631 20 30 DHEDMO C[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)[NH+]1CCC(C)CC1 ZINC000594495505 1039798663 /nfs/dbraw/zinc/79/86/63/1039798663.db2.gz ATANXZKORQTASK-KRWDZBQOSA-N 1 1 313.489 3.698 20 30 DHEDMO Cc1ccc2nc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)[nH]c2c1 ZINC000594513268 1039815558 /nfs/dbraw/zinc/81/55/58/1039815558.db2.gz MGZXDDFQZPMJQB-UHFFFAOYSA-N 1 1 318.424 3.962 20 30 DHEDMO COC(=O)c1coc([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594519152 1039826094 /nfs/dbraw/zinc/82/60/94/1039826094.db2.gz UUFJAJAIVOIGJO-CYBMUJFWSA-N 1 1 324.380 3.668 20 30 DHEDMO N#Cc1c(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cccc1C(F)F ZINC000594601984 1039844986 /nfs/dbraw/zinc/84/49/86/1039844986.db2.gz QFALNSXYGYSZPI-HOTGVXAUSA-N 1 1 305.372 3.925 20 30 DHEDMO CN(C)CC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)C(C)(C)C ZINC000594924726 1039929340 /nfs/dbraw/zinc/92/93/40/1039929340.db2.gz MSTPBVBRFMIWSM-SFHVURJKSA-N 1 1 313.489 3.698 20 30 DHEDMO N#Cc1csc(C[NH2+]Cc2cccc(OC3CC3)c2F)c1 ZINC000594972120 1039948880 /nfs/dbraw/zinc/94/88/80/1039948880.db2.gz ZNYXNBFCLPJSAS-UHFFFAOYSA-N 1 1 302.374 3.590 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC2(C#N)CCCCC2)C1 ZINC000594981209 1039990940 /nfs/dbraw/zinc/99/09/40/1039990940.db2.gz KSPWISGSDWJFSR-IEBWSBKVSA-N 1 1 311.473 3.886 20 30 DHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC2(C#N)CCCCC2)C1 ZINC000594981209 1039990961 /nfs/dbraw/zinc/99/09/61/1039990961.db2.gz KSPWISGSDWJFSR-IEBWSBKVSA-N 1 1 311.473 3.886 20 30 DHEDMO Cc1ncc(C[NH2+]CC2(C#N)CCCCC2)n1-c1ccccc1 ZINC000594981416 1039991348 /nfs/dbraw/zinc/99/13/48/1039991348.db2.gz OSBKDRCZUYVODC-UHFFFAOYSA-N 1 1 308.429 3.744 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC2(C#N)CCCCC2)C1 ZINC000594981211 1039993344 /nfs/dbraw/zinc/99/33/44/1039993344.db2.gz KSPWISGSDWJFSR-PKOBYXMFSA-N 1 1 311.473 3.886 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC2(C#N)CCCCC2)C1 ZINC000594981211 1039993354 /nfs/dbraw/zinc/99/33/54/1039993354.db2.gz KSPWISGSDWJFSR-PKOBYXMFSA-N 1 1 311.473 3.886 20 30 DHEDMO N#CC1(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CCCCC1 ZINC000594980843 1039996834 /nfs/dbraw/zinc/99/68/34/1039996834.db2.gz BVPVNXAKLIPVKQ-UHFFFAOYSA-N 1 1 312.335 3.975 20 30 DHEDMO C=CCCSCC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000595060183 1040024432 /nfs/dbraw/zinc/02/44/32/1040024432.db2.gz UDGVHCCCJRAYSB-IEBWSBKVSA-N 1 1 318.530 3.796 20 30 DHEDMO C=CCCCCCN(C)C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000606881416 1040025462 /nfs/dbraw/zinc/02/54/62/1040025462.db2.gz LPXFPTZNLKRJFF-KRWDZBQOSA-N 1 1 314.473 3.638 20 30 DHEDMO N#Cc1ccc2c(c1)[C@H](N[C@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000595079986 1040072263 /nfs/dbraw/zinc/07/22/63/1040072263.db2.gz IMEXALZPHZGNHZ-FXAWDEMLSA-N 1 1 309.457 3.542 20 30 DHEDMO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(C3CCCCC3)C1)CC2 ZINC000595079986 1040072280 /nfs/dbraw/zinc/07/22/80/1040072280.db2.gz IMEXALZPHZGNHZ-FXAWDEMLSA-N 1 1 309.457 3.542 20 30 DHEDMO C[C@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(C#N)cc1F ZINC000595081972 1040075896 /nfs/dbraw/zinc/07/58/96/1040075896.db2.gz VKSYQAACMPYPEZ-GOEBONIOSA-N 1 1 315.436 3.755 20 30 DHEDMO COc1ncc([C@H](C)[NH2+]CC2(C#N)CCCCC2)cc1Cl ZINC000595092011 1040078031 /nfs/dbraw/zinc/07/80/31/1040078031.db2.gz UOZFVGWYVQKQTE-LBPRGKRZSA-N 1 1 307.825 3.868 20 30 DHEDMO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)c(OC)c1 ZINC000595097435 1040082126 /nfs/dbraw/zinc/08/21/26/1040082126.db2.gz IBZCOYLRWMJCRC-CQSZACIVSA-N 1 1 302.418 3.828 20 30 DHEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c(C#N)cnc3c(C)cccc32)C1 ZINC000078563671 1040084631 /nfs/dbraw/zinc/08/46/31/1040084631.db2.gz NOTKQBQLYMXHRB-INIZCTEOSA-N 1 1 322.456 3.583 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000595467903 1040147939 /nfs/dbraw/zinc/14/79/39/1040147939.db2.gz VAMWXPCAWBDZRC-XUVXKRRUSA-N 1 1 312.457 3.506 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CCCn3c(cc4ccccc43)C2)cc1 ZINC000595497276 1040156317 /nfs/dbraw/zinc/15/63/17/1040156317.db2.gz NQKXVYRJRDFNRQ-UHFFFAOYSA-N 1 1 315.420 3.961 20 30 DHEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)CCc3ccc(C#N)cc3)C2)c1 ZINC000595521899 1040160853 /nfs/dbraw/zinc/16/08/53/1040160853.db2.gz GOMYGVQSQWGZJE-MXVIHJGJSA-N 1 1 320.436 3.987 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCCCC#N)Cc2ccccc21 ZINC000595619162 1040192721 /nfs/dbraw/zinc/19/27/21/1040192721.db2.gz ULFDXJMMZURZDU-QGZVFWFLSA-N 1 1 314.429 3.621 20 30 DHEDMO CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595609092 1040204005 /nfs/dbraw/zinc/20/40/05/1040204005.db2.gz GBVFNTMZMUTLEQ-SFHVURJKSA-N 1 1 321.509 3.533 20 30 DHEDMO CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595609092 1040204010 /nfs/dbraw/zinc/20/40/10/1040204010.db2.gz GBVFNTMZMUTLEQ-SFHVURJKSA-N 1 1 321.509 3.533 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000595613603 1040206455 /nfs/dbraw/zinc/20/64/55/1040206455.db2.gz FPYXYVQVKUMQRA-ZDUSSCGKSA-N 1 1 312.335 3.710 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000595615022 1040209043 /nfs/dbraw/zinc/20/90/43/1040209043.db2.gz OGXQJHZURGRWFK-ZDUSSCGKSA-N 1 1 312.335 3.753 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000595658449 1040215955 /nfs/dbraw/zinc/21/59/55/1040215955.db2.gz JIBBFWFFXZWTAJ-QGZVFWFLSA-N 1 1 320.440 3.747 20 30 DHEDMO C[C@]12COC[C@@H]1C[N@@H+](Cc1ccc(-c3ccccc3C#N)cc1)C2 ZINC000595761536 1040235073 /nfs/dbraw/zinc/23/50/73/1040235073.db2.gz XRNHVRANWQHSKT-FPOVZHCZSA-N 1 1 318.420 3.694 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(OC)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063381279 1040235443 /nfs/dbraw/zinc/23/54/43/1040235443.db2.gz GXGBKXBWQWMFKF-UHFFFAOYSA-N 1 1 312.369 3.792 20 30 DHEDMO C=CC[N@H+](Cc1cccc(OC)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063381279 1040235458 /nfs/dbraw/zinc/23/54/58/1040235458.db2.gz GXGBKXBWQWMFKF-UHFFFAOYSA-N 1 1 312.369 3.792 20 30 DHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C[C@H]1CCc2ccccc21 ZINC000595881107 1040269439 /nfs/dbraw/zinc/26/94/39/1040269439.db2.gz QAHYHZGTHAKFDG-GOSISDBHSA-N 1 1 312.457 3.749 20 30 DHEDMO C=CCCCCC[N@@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595912412 1040273523 /nfs/dbraw/zinc/27/35/23/1040273523.db2.gz LNGDJBXFCKKFCL-CQSZACIVSA-N 1 1 322.474 3.856 20 30 DHEDMO NC(=[NH+]OCc1coc(-c2cccc(F)c2)n1)C1CCCCC1 ZINC000063458762 1040303276 /nfs/dbraw/zinc/30/32/76/1040303276.db2.gz MGIUEZXPCJLPGK-UHFFFAOYSA-N 1 1 317.364 3.850 20 30 DHEDMO Cc1cc([NH+]2CCCCCC2)ccc1Nc1cc(C#N)cnn1 ZINC000596232033 1040343984 /nfs/dbraw/zinc/34/39/84/1040343984.db2.gz SLQLDLWWZHINNB-UHFFFAOYSA-N 1 1 307.401 3.781 20 30 DHEDMO C[C@H](C#N)c1ccc(-c2ccccc2CN2CC[NH+](C)CC2)cc1 ZINC000596638777 1040533032 /nfs/dbraw/zinc/53/30/32/1040533032.db2.gz CLTSYNBDBUKAJO-QGZVFWFLSA-N 1 1 319.452 3.728 20 30 DHEDMO CC(C)[NH+]1CCC(N(C)Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596983078 1040618764 /nfs/dbraw/zinc/61/87/64/1040618764.db2.gz NNZROLJESDQHNU-UHFFFAOYSA-N 1 1 311.473 3.546 20 30 DHEDMO CC(C)N1CCC([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596983078 1040618775 /nfs/dbraw/zinc/61/87/75/1040618775.db2.gz NNZROLJESDQHNU-UHFFFAOYSA-N 1 1 311.473 3.546 20 30 DHEDMO CC(C)N1CCC([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596983078 1040618782 /nfs/dbraw/zinc/61/87/82/1040618782.db2.gz NNZROLJESDQHNU-UHFFFAOYSA-N 1 1 311.473 3.546 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597013710 1040624743 /nfs/dbraw/zinc/62/47/43/1040624743.db2.gz MHGOYGATPFMOQY-UHFFFAOYSA-N 1 1 324.424 3.792 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCCNc1ncc(C#N)cc1Cl ZINC000608885969 1040644482 /nfs/dbraw/zinc/64/44/82/1040644482.db2.gz ICYCKRLBRQLIDL-ZDUSSCGKSA-N 1 1 306.841 3.673 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H](C[C@@H]4CCOC4)C3)cc2)CC1 ZINC000597133859 1040662695 /nfs/dbraw/zinc/66/26/95/1040662695.db2.gz WQKGNGMCLIWZQI-OALUTQOASA-N 1 1 324.468 3.880 20 30 DHEDMO CCC[N@H+](CCN1CCCC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597126717 1040665483 /nfs/dbraw/zinc/66/54/83/1040665483.db2.gz CFJTXDZVCYQVFG-UHFFFAOYSA-N 1 1 311.473 3.550 20 30 DHEDMO CCC[N@@H+](CCN1CCCC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597126717 1040665487 /nfs/dbraw/zinc/66/54/87/1040665487.db2.gz CFJTXDZVCYQVFG-UHFFFAOYSA-N 1 1 311.473 3.550 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H](OC4CCC4)C3)cc2)CC1 ZINC000597157263 1040671139 /nfs/dbraw/zinc/67/11/39/1040671139.db2.gz NTQAXSHGVXNTJD-LJQANCHMSA-N 1 1 310.441 3.775 20 30 DHEDMO COc1ccc([C@@H](C)[N@@H+](C)CCOc2ccccc2C#N)cc1 ZINC000060467138 1040672710 /nfs/dbraw/zinc/67/27/10/1040672710.db2.gz MTMMYKIKPDQBBX-OAHLLOKOSA-N 1 1 310.397 3.639 20 30 DHEDMO CC[N@@H+](C[C@H](O)c1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000060477405 1040675594 /nfs/dbraw/zinc/67/55/94/1040675594.db2.gz JOPSQLBDCVDFOF-LIRRHRJNSA-N 1 1 312.388 3.814 20 30 DHEDMO CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1OC ZINC000597174733 1040676058 /nfs/dbraw/zinc/67/60/58/1040676058.db2.gz UJIILUGMILJHKW-CYBMUJFWSA-N 1 1 322.836 3.873 20 30 DHEDMO CCOc1c(Cl)cc(C[N@H+]2CCC[C@H](CC#N)C2)cc1OC ZINC000597174733 1040676062 /nfs/dbraw/zinc/67/60/62/1040676062.db2.gz UJIILUGMILJHKW-CYBMUJFWSA-N 1 1 322.836 3.873 20 30 DHEDMO N#CCC1C[NH+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000597193644 1040676256 /nfs/dbraw/zinc/67/62/56/1040676256.db2.gz JXIYPFQGUUAIOH-UHFFFAOYSA-N 1 1 310.372 3.750 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(-c2cnn(C)c2)c1 ZINC000597176132 1040678744 /nfs/dbraw/zinc/67/87/44/1040678744.db2.gz FRXSHSWSOOQFHU-MRXNPFEDSA-N 1 1 308.429 3.521 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CCCC4(CCCC4)CC3)n2c1 ZINC000597182663 1040681040 /nfs/dbraw/zinc/68/10/40/1040681040.db2.gz CTEUJVUBIQQFHG-UHFFFAOYSA-N 1 1 308.429 3.752 20 30 DHEDMO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH+]1CC(CC#N)C1 ZINC000597202787 1040692854 /nfs/dbraw/zinc/69/28/54/1040692854.db2.gz CKJJYJWGZRPZIT-UHFFFAOYSA-N 1 1 322.456 3.574 20 30 DHEDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597265720 1040710696 /nfs/dbraw/zinc/71/06/96/1040710696.db2.gz TUBMKRRGZSZVEB-LJQANCHMSA-N 1 1 312.457 3.879 20 30 DHEDMO C=CCSc1ccccc1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457049911 1041009389 /nfs/dbraw/zinc/00/93/89/1041009389.db2.gz FWVQZOBQQROMNF-UHFFFAOYSA-N 1 1 318.486 3.569 20 30 DHEDMO CCC[N@H+](CC(=O)Nc1ccccc1C)C[C@H](C)CCC#N ZINC000602431040 1041026138 /nfs/dbraw/zinc/02/61/38/1041026138.db2.gz BGAHQSNZYUMLNE-OAHLLOKOSA-N 1 1 301.434 3.585 20 30 DHEDMO COc1cc2c(cc1OC)[C@H]([N@@H+](C)Cc1ccc(C#N)cc1)CC2 ZINC000602438413 1041033844 /nfs/dbraw/zinc/03/38/44/1041033844.db2.gz IUPFNTFOSYUIEE-GOSISDBHSA-N 1 1 322.408 3.695 20 30 DHEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2C[C@H](C)CCC#N)c1 ZINC000602437644 1041034237 /nfs/dbraw/zinc/03/42/37/1041034237.db2.gz WOFILDOGOBBXPN-PBHICJAKSA-N 1 1 302.418 3.781 20 30 DHEDMO COc1cc2c(cc1OC)[C@H]([N@@H+](C)Cc1cccc(C#N)c1)CC2 ZINC000602442394 1041034524 /nfs/dbraw/zinc/03/45/24/1041034524.db2.gz YEZUZXXVDNFINB-GOSISDBHSA-N 1 1 322.408 3.695 20 30 DHEDMO C=CCSc1ccccc1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457161693 1041037155 /nfs/dbraw/zinc/03/71/55/1041037155.db2.gz DHCYELYOBUZCKS-UHFFFAOYSA-N 1 1 318.486 3.569 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000602463150 1041046008 /nfs/dbraw/zinc/04/60/08/1041046008.db2.gz RPVPJWPPJMHTPB-CJNGLKHVSA-N 1 1 324.371 3.601 20 30 DHEDMO CC(C)C1CCC(N2CC[NH+](C[C@H](C)CCC#N)CC2)CC1 ZINC000602480293 1041054288 /nfs/dbraw/zinc/05/42/88/1041054288.db2.gz FREROZJSFFPUTD-LMDPOFIKSA-N 1 1 305.510 3.759 20 30 DHEDMO C[C@@H](CCC#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000602548503 1041087831 /nfs/dbraw/zinc/08/78/31/1041087831.db2.gz YITBLYYLCSLRSQ-OHSMVPPVSA-N 1 1 311.473 3.711 20 30 DHEDMO CC(C)CCOc1ccccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602530336 1041088833 /nfs/dbraw/zinc/08/88/33/1041088833.db2.gz YKVFGXOASVIYOI-UHFFFAOYSA-N 1 1 309.413 3.668 20 30 DHEDMO N#CCC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602643408 1041129047 /nfs/dbraw/zinc/12/90/47/1041129047.db2.gz QOAGSVLPYOQBHB-HKUYNNGSSA-N 1 1 309.457 3.638 20 30 DHEDMO N#CCC1(CN[C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602643408 1041129056 /nfs/dbraw/zinc/12/90/56/1041129056.db2.gz QOAGSVLPYOQBHB-HKUYNNGSSA-N 1 1 309.457 3.638 20 30 DHEDMO N#CCC1(CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602643408 1041129061 /nfs/dbraw/zinc/12/90/61/1041129061.db2.gz QOAGSVLPYOQBHB-HKUYNNGSSA-N 1 1 309.457 3.638 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000602648115 1041132513 /nfs/dbraw/zinc/13/25/13/1041132513.db2.gz LNWBJLGAEGHGEC-GFCCVEGCSA-N 1 1 323.234 3.583 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCOc2c(Br)cccc2C1 ZINC000602648115 1041132522 /nfs/dbraw/zinc/13/25/22/1041132522.db2.gz LNWBJLGAEGHGEC-GFCCVEGCSA-N 1 1 323.234 3.583 20 30 DHEDMO N#Cc1cccc(C[NH2+][C@@H]2CCCc3sc(Cl)cc32)n1 ZINC000602671889 1041139706 /nfs/dbraw/zinc/13/97/06/1041139706.db2.gz LHNXXOPPUNOWAY-CYBMUJFWSA-N 1 1 303.818 3.835 20 30 DHEDMO N#CCC1(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000602762234 1041195535 /nfs/dbraw/zinc/19/55/35/1041195535.db2.gz CUFFKADYQSQWEW-AOOOYVTPSA-N 1 1 314.273 3.743 20 30 DHEDMO N#CCC1(C[N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000602762234 1041195527 /nfs/dbraw/zinc/19/55/27/1041195527.db2.gz CUFFKADYQSQWEW-AOOOYVTPSA-N 1 1 314.273 3.743 20 30 DHEDMO CC[C@H](C)[N@H+](Cc1nc2ccccc2c(=O)[nH]1)CC1(CC#N)CC1 ZINC000602795707 1041218726 /nfs/dbraw/zinc/21/87/26/1041218726.db2.gz VCEMLGZKVOBVPX-AWEZNQCLSA-N 1 1 324.428 3.630 20 30 DHEDMO CC[C@H](C)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)CC1(CC#N)CC1 ZINC000602795707 1041218768 /nfs/dbraw/zinc/21/87/68/1041218768.db2.gz VCEMLGZKVOBVPX-AWEZNQCLSA-N 1 1 324.428 3.630 20 30 DHEDMO C[N@H+](CC1(CC#N)CC1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000602890377 1041290221 /nfs/dbraw/zinc/29/02/21/1041290221.db2.gz XSSOWTQLWKBLHF-CYBMUJFWSA-N 1 1 313.228 3.652 20 30 DHEDMO CCC[N@@H+](CC1(CC#N)CC1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000602823421 1041242280 /nfs/dbraw/zinc/24/22/80/1041242280.db2.gz KSPHOGGAAKGSRJ-INIZCTEOSA-N 1 1 313.445 3.810 20 30 DHEDMO C[N@@H+](CC1(CC#N)CC1)[C@H](CO)c1cccc(Cl)c1Cl ZINC000602890377 1041290234 /nfs/dbraw/zinc/29/02/34/1041290234.db2.gz XSSOWTQLWKBLHF-CYBMUJFWSA-N 1 1 313.228 3.652 20 30 DHEDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602845721 1041276328 /nfs/dbraw/zinc/27/63/28/1041276328.db2.gz LEKMJBCYYYXXQF-HNNXBMFYSA-N 1 1 306.450 3.514 20 30 DHEDMO N#CCCCC[N@@H+](Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000602923524 1041317980 /nfs/dbraw/zinc/31/79/80/1041317980.db2.gz XFZZPKUKWCJYPA-FQEVSTJZSA-N 1 1 308.425 3.916 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000598603126 1041344561 /nfs/dbraw/zinc/34/45/61/1041344561.db2.gz XTVLQGYGNNEXHO-QAPCUYQASA-N 1 1 318.436 3.696 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000598586381 1041348436 /nfs/dbraw/zinc/34/84/36/1041348436.db2.gz SKBSDGQLSUUQLV-ZWKOTPCHSA-N 1 1 300.446 3.904 20 30 DHEDMO CCc1ccc([C@H]2CCCC[N@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598592998 1041350355 /nfs/dbraw/zinc/35/03/55/1041350355.db2.gz POFYNLMOXHXBBT-GDBMZVCRSA-N 1 1 304.434 3.670 20 30 DHEDMO Cc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598592521 1041350610 /nfs/dbraw/zinc/35/06/10/1041350610.db2.gz LMYUXNOIXKOJGO-HOTGVXAUSA-N 1 1 304.434 3.806 20 30 DHEDMO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598589455 1041352244 /nfs/dbraw/zinc/35/22/44/1041352244.db2.gz OCBSHSDJYXVPSX-LBPRGKRZSA-N 1 1 315.244 3.726 20 30 DHEDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)c1C ZINC000598592836 1041352560 /nfs/dbraw/zinc/35/25/60/1041352560.db2.gz NSLZKNYXFOCLNU-FUHWJXTLSA-N 1 1 300.446 3.741 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000598593869 1041353490 /nfs/dbraw/zinc/35/34/90/1041353490.db2.gz XUCHLETZQYHRQY-RBUKOAKNSA-N 1 1 314.473 3.774 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000598594699 1041354568 /nfs/dbraw/zinc/35/45/68/1041354568.db2.gz IDIGTHKEEDMBRQ-DLBZAZTESA-N 1 1 304.409 3.653 20 30 DHEDMO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598595564 1041355102 /nfs/dbraw/zinc/35/51/02/1041355102.db2.gz PFBPZFNLFUGAKB-INMHGKMJSA-N 1 1 318.461 3.916 20 30 DHEDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598617628 1041361163 /nfs/dbraw/zinc/36/11/63/1041361163.db2.gz UJQHKOMWUSYUHE-KBAYOESNSA-N 1 1 300.446 3.760 20 30 DHEDMO Cc1c2cccc(C)c2oc1C[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598624246 1041363622 /nfs/dbraw/zinc/36/36/22/1041363622.db2.gz XOYVUQFLOVEATD-OAHLLOKOSA-N 1 1 314.429 3.782 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000598624624 1041366865 /nfs/dbraw/zinc/36/68/65/1041366865.db2.gz JHMZBRFVQHKHOI-ROUUACIJSA-N 1 1 310.441 3.680 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H](COC)c2ccco2)cc1Cl ZINC000080270374 334944317 /nfs/dbraw/zinc/94/43/17/334944317.db2.gz YQQJUYAOAZQUPF-OAHLLOKOSA-N 1 1 321.804 3.975 20 30 DHEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000091336829 334955588 /nfs/dbraw/zinc/95/55/88/334955588.db2.gz KXSPAKKVERBKDF-HNNXBMFYSA-N 1 1 321.424 3.989 20 30 DHEDMO CC[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1nccn1C ZINC000183314323 335021913 /nfs/dbraw/zinc/02/19/13/335021913.db2.gz BJMMTGKUMYDQMP-HNNXBMFYSA-N 1 1 321.346 3.531 20 30 DHEDMO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1nc(CCCC)no1 ZINC000285262928 335022653 /nfs/dbraw/zinc/02/26/53/335022653.db2.gz XMZIRVCAUIQYHR-WBVHZDCISA-N 1 1 311.429 3.697 20 30 DHEDMO COc1nc(C)cc(C)c1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425541830 335027868 /nfs/dbraw/zinc/02/78/68/335027868.db2.gz XJOOTIVCBCKBQT-OAHLLOKOSA-N 1 1 309.413 3.772 20 30 DHEDMO COc1nc(C)cc(C)c1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425541830 335027869 /nfs/dbraw/zinc/02/78/69/335027869.db2.gz XJOOTIVCBCKBQT-OAHLLOKOSA-N 1 1 309.413 3.772 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)s1 ZINC000563821287 335029246 /nfs/dbraw/zinc/02/92/46/335029246.db2.gz QGVZLCLWBRPXOE-BRWVUGGUSA-N 1 1 304.459 3.525 20 30 DHEDMO C=CCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000286342057 335033350 /nfs/dbraw/zinc/03/33/50/335033350.db2.gz YJLGGWCGCOJNPF-HNNXBMFYSA-N 1 1 316.357 3.994 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccncc2)cc1OC ZINC000183707476 335040364 /nfs/dbraw/zinc/04/03/64/335040364.db2.gz FNCMLFGZAABIKQ-OAHLLOKOSA-N 1 1 312.413 3.848 20 30 DHEDMO Fc1ccc(C[N@@H+](CC#Cc2ccccc2)C2CCOCC2)cc1 ZINC000287833713 335048236 /nfs/dbraw/zinc/04/82/36/335048236.db2.gz QGRXOKSLQGPMGF-UHFFFAOYSA-N 1 1 323.411 3.858 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2cnc(C3OCCO3)s2)CCCC1(C)C ZINC000289502688 335063909 /nfs/dbraw/zinc/06/39/09/335063909.db2.gz CLTCWDRUERNKLE-AWEZNQCLSA-N 1 1 322.474 3.755 20 30 DHEDMO C[C@H](Nc1ccc(Cl)c(C#N)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273028546 130084119 /nfs/dbraw/zinc/08/41/19/130084119.db2.gz USNCIVXSPSGPMP-STQMWFEESA-N 1 1 318.852 3.672 20 30 DHEDMO COc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc(OC)c1 ZINC000275037760 130285332 /nfs/dbraw/zinc/28/53/32/130285332.db2.gz LVUJFLLBZQDKJN-CQSZACIVSA-N 1 1 310.397 3.768 20 30 DHEDMO C[C@]12CC[N@H+](Cc3ccc(C#N)s3)C[C@H]1C2(Cl)Cl ZINC000284230950 131061539 /nfs/dbraw/zinc/06/15/39/131061539.db2.gz DLZLICQZOBBUOP-NEPJUHHUSA-N 1 1 301.242 3.635 20 30 DHEDMO C[C@]12CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]1C2(Cl)Cl ZINC000284230950 131061541 /nfs/dbraw/zinc/06/15/41/131061541.db2.gz DLZLICQZOBBUOP-NEPJUHHUSA-N 1 1 301.242 3.635 20 30 DHEDMO C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000287058680 131262478 /nfs/dbraw/zinc/26/24/78/131262478.db2.gz XIKCWHNLOANIMM-GHMZBOCLSA-N 1 1 324.881 3.733 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000289365365 131378602 /nfs/dbraw/zinc/37/86/02/131378602.db2.gz OOKHXPGRZIPXJK-UHFFFAOYSA-N 1 1 319.408 3.511 20 30 DHEDMO C=CCCC[N@H+](C)CCCCOc1c(OC)cccc1OC ZINC000290275870 335070749 /nfs/dbraw/zinc/07/07/49/335070749.db2.gz LWWZYXDZGMDJPZ-UHFFFAOYSA-N 1 1 307.434 3.761 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425554321 335086848 /nfs/dbraw/zinc/08/68/48/335086848.db2.gz OFZJQKKNRLHBKI-BEFAXECRSA-N 1 1 310.441 3.900 20 30 DHEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000557665553 331807216 /nfs/dbraw/zinc/80/72/16/331807216.db2.gz UWTNTBNMUOGWNU-UHFFFAOYSA-N 1 1 306.287 3.949 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000518298425 332008914 /nfs/dbraw/zinc/00/89/14/332008914.db2.gz OWUMITSPPQBUTN-GFCCVEGCSA-N 1 1 311.351 3.863 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C#N)[C@H]1CCCc2ccccc21 ZINC000518372041 332018752 /nfs/dbraw/zinc/01/87/52/332018752.db2.gz BVLKIJLJZZLFRY-IBGZPJMESA-N 1 1 306.409 3.946 20 30 DHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](CC)[C@@H](C)C(C)C ZINC000520060029 332053174 /nfs/dbraw/zinc/05/31/74/332053174.db2.gz DDLPDDYXRXXEHQ-WMZOPIPTSA-N 1 1 305.462 3.521 20 30 DHEDMO C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000569376092 332068097 /nfs/dbraw/zinc/06/80/97/332068097.db2.gz NAHQBPASPLTJQE-LJQANCHMSA-N 1 1 309.388 3.690 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+](CCCC)[C@H](C)c2ccccc2)C1=O ZINC000410340024 332113080 /nfs/dbraw/zinc/11/30/80/332113080.db2.gz VXCWAMWEJZJBCJ-AEFFLSMTSA-N 1 1 300.446 3.637 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000410390794 332122962 /nfs/dbraw/zinc/12/29/62/332122962.db2.gz RRWZXPZOVNLSOD-KEYYUXOJSA-N 1 1 320.864 3.551 20 30 DHEDMO C[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)CC(C)(C)CCC#N ZINC000093337048 332137641 /nfs/dbraw/zinc/13/76/41/332137641.db2.gz WKZWASQPPICEFX-IBGZPJMESA-N 1 1 313.489 3.770 20 30 DHEDMO C[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)CC(C)(C)CCC#N ZINC000093337048 332137642 /nfs/dbraw/zinc/13/76/42/332137642.db2.gz WKZWASQPPICEFX-IBGZPJMESA-N 1 1 313.489 3.770 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000427007756 332164588 /nfs/dbraw/zinc/16/45/88/332164588.db2.gz IYWWBIDTAJDQDH-IBGZPJMESA-N 1 1 310.828 3.878 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1Br)C(C1CC1)C1CC1 ZINC000181041042 332173306 /nfs/dbraw/zinc/17/33/06/332173306.db2.gz GUYLWALJGDSKNJ-UHFFFAOYSA-N 1 1 319.246 3.941 20 30 DHEDMO C=C(C)C[N@@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000181292152 332189695 /nfs/dbraw/zinc/18/96/95/332189695.db2.gz JRCUWDOFLXQDNP-UHFFFAOYSA-N 1 1 302.399 3.547 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000181292152 332189697 /nfs/dbraw/zinc/18/96/97/332189697.db2.gz JRCUWDOFLXQDNP-UHFFFAOYSA-N 1 1 302.399 3.547 20 30 DHEDMO C=CCOc1cccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000236629107 332201059 /nfs/dbraw/zinc/20/10/59/332201059.db2.gz QSBDVRDCMFFCOK-UHFFFAOYSA-N 1 1 302.462 3.650 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000584303675 332234609 /nfs/dbraw/zinc/23/46/09/332234609.db2.gz JFXPQNJNRGWVSP-ACDBMABISA-N 1 1 324.468 3.598 20 30 DHEDMO Cc1c(Br)cccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000536425279 332242540 /nfs/dbraw/zinc/24/25/40/332242540.db2.gz BBCLVVSUGNSSNH-NSHDSACASA-N 1 1 307.235 3.882 20 30 DHEDMO Cc1c(Br)cccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000536425279 332242541 /nfs/dbraw/zinc/24/25/41/332242541.db2.gz BBCLVVSUGNSSNH-NSHDSACASA-N 1 1 307.235 3.882 20 30 DHEDMO C=C(Br)C[NH+]1CCC(Nc2ccccc2C)CC1 ZINC000370913406 332297423 /nfs/dbraw/zinc/29/74/23/332297423.db2.gz IBFIAUZXMGELEY-UHFFFAOYSA-N 1 1 309.251 3.780 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H]2CCSc3ccc(F)cc32)CC1 ZINC000152932262 332333367 /nfs/dbraw/zinc/33/33/67/332333367.db2.gz YTLFHDLYYWAXFE-KRWDZBQOSA-N 1 1 320.477 3.993 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@@H]1CCCN(C(C)C)C1=O)c1ccc(F)c(F)c1 ZINC000187766911 332356505 /nfs/dbraw/zinc/35/65/05/332356505.db2.gz LBKCTXQKXWPFND-SJORKVTESA-N 1 1 322.399 3.571 20 30 DHEDMO CC(C)(C#N)CC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000119647900 332375512 /nfs/dbraw/zinc/37/55/12/332375512.db2.gz UEYFMJVTMBEIIW-UHFFFAOYSA-N 1 1 300.446 3.855 20 30 DHEDMO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc1OCC ZINC000120997537 332391023 /nfs/dbraw/zinc/39/10/23/332391023.db2.gz VVNXKGBZRHQUOJ-HUUCEWRRSA-N 1 1 315.417 3.578 20 30 DHEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cn(-c2ccccc2)nn1 ZINC000150872729 332448993 /nfs/dbraw/zinc/44/89/93/332448993.db2.gz BHUAHFNYGRUELY-GJZGRUSLSA-N 1 1 317.396 3.551 20 30 DHEDMO CC[C@@H](C#N)Oc1cc(CNc2cccc(C)[nH+]2)ccc1OC ZINC000157560492 332529811 /nfs/dbraw/zinc/52/98/11/332529811.db2.gz VSVNKFLBOAAWAX-HNNXBMFYSA-N 1 1 311.385 3.692 20 30 DHEDMO Cc1ccc(OC2CC[NH+](Cc3ccc(C#N)cn3)CC2)cc1C ZINC000569937269 332694410 /nfs/dbraw/zinc/69/44/10/332694410.db2.gz ILLLTWWDWDUJKQ-UHFFFAOYSA-N 1 1 321.424 3.614 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CC3CC3)C2)c(OC(F)F)c1 ZINC000580219536 333020204 /nfs/dbraw/zinc/02/02/04/333020204.db2.gz PYDDRQBIYANHIC-AWEZNQCLSA-N 1 1 306.356 3.782 20 30 DHEDMO C=CCC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC)c1ccccc1 ZINC000580228119 333035367 /nfs/dbraw/zinc/03/53/67/333035367.db2.gz MVXCQDQIGBURJH-RBUKOAKNSA-N 1 1 314.473 3.727 20 30 DHEDMO CSc1ccccc1NC(=O)C[N@@H+](C)CCCC(C)(C)C#N ZINC000174809104 333091098 /nfs/dbraw/zinc/09/10/98/333091098.db2.gz HWSQKOVXSWIRDU-UHFFFAOYSA-N 1 1 319.474 3.609 20 30 DHEDMO C[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccc(C#N)cc1 ZINC000113318507 333119358 /nfs/dbraw/zinc/11/93/58/333119358.db2.gz IJCFTKNDINHSTA-LBPRGKRZSA-N 1 1 310.788 3.710 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000179708073 333154640 /nfs/dbraw/zinc/15/46/40/333154640.db2.gz FEVGRGQOWQCXSJ-FQEVSTJZSA-N 1 1 322.456 3.712 20 30 DHEDMO C[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(OCC#N)cc1 ZINC000181763570 333172133 /nfs/dbraw/zinc/17/21/33/333172133.db2.gz YEHDRVXLEFXEHA-MAUKXSAKSA-N 1 1 317.477 3.606 20 30 DHEDMO CN(c1ccc(F)cc1C#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388194292 333218201 /nfs/dbraw/zinc/21/82/01/333218201.db2.gz QDTRRIYDPDTMGQ-LJQANCHMSA-N 1 1 323.415 3.798 20 30 DHEDMO C=CCC(F)(F)C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000294867272 335128511 /nfs/dbraw/zinc/12/85/11/335128511.db2.gz YOTUDOXMXGOUIK-UHFFFAOYSA-N 1 1 305.328 3.639 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000318954279 333231643 /nfs/dbraw/zinc/23/16/43/333231643.db2.gz DMXQKBAQLCKQKO-AWEZNQCLSA-N 1 1 312.335 3.730 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000190526276 333271819 /nfs/dbraw/zinc/27/18/19/333271819.db2.gz RJRMXMTYGITOKR-SNVBAGLBSA-N 1 1 301.615 3.884 20 30 DHEDMO COc1cccc([C@H]2CCC[N@H+]2CCOc2ccccc2C#N)c1 ZINC000497612523 333269692 /nfs/dbraw/zinc/26/96/92/333269692.db2.gz SHPDJTIUGGREEI-LJQANCHMSA-N 1 1 322.408 3.783 20 30 DHEDMO CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(CCC#N)CC1 ZINC000563069416 333281892 /nfs/dbraw/zinc/28/18/92/333281892.db2.gz VXIHXDLKOMDTSQ-UHFFFAOYSA-N 1 1 314.429 3.804 20 30 DHEDMO C=CCC(CC=C)C(=O)N1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000364429958 333313911 /nfs/dbraw/zinc/31/39/11/333313911.db2.gz XMVSSYHSZFKDOE-ZCNNSNEGSA-N 1 1 324.468 3.516 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCSC3(CCCCC3)C2)c(F)c1 ZINC000531191146 333329968 /nfs/dbraw/zinc/32/99/68/333329968.db2.gz YEFQVCNEDIMJHV-UHFFFAOYSA-N 1 1 304.434 3.949 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000531441861 333353524 /nfs/dbraw/zinc/35/35/24/333353524.db2.gz IRLDXMLZJNLZQH-CHWSQXEVSA-N 1 1 324.827 3.719 20 30 DHEDMO C=CCn1cccc1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000337259367 333444860 /nfs/dbraw/zinc/44/48/60/333444860.db2.gz VHWQWHZXSGLZBV-UHFFFAOYSA-N 1 1 317.820 3.641 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000185724936 335147378 /nfs/dbraw/zinc/14/73/78/335147378.db2.gz NIFIXVBCNORNNP-IEBWSBKVSA-N 1 1 314.473 3.569 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCC1)c1ccc(F)c(F)c1 ZINC000411551800 333692945 /nfs/dbraw/zinc/69/29/45/333692945.db2.gz OEAYGYBNELOLQM-SUMWQHHRSA-N 1 1 322.399 3.573 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1ccc(F)c(F)c1 ZINC000186447614 335158010 /nfs/dbraw/zinc/15/80/10/335158010.db2.gz JBMSEVSRBHAKRG-GTNSWQLSSA-N 1 1 305.372 3.975 20 30 DHEDMO N#CCc1ccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1 ZINC000343423283 335163698 /nfs/dbraw/zinc/16/36/98/335163698.db2.gz OKUPOKGTVDAVOF-NRFANRHFSA-N 1 1 320.436 3.526 20 30 DHEDMO CC(C)(C)[N@@H+](CCCCC#N)CC(=O)Nc1ccc(F)cc1 ZINC000269348495 334000629 /nfs/dbraw/zinc/00/06/29/334000629.db2.gz YVTRMGIXLLHPQY-UHFFFAOYSA-N 1 1 305.397 3.559 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000571646246 334001851 /nfs/dbraw/zinc/00/18/51/334001851.db2.gz OYJBJXGMNYZBBQ-SFHVURJKSA-N 1 1 311.385 3.789 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)o1 ZINC000414539097 334012707 /nfs/dbraw/zinc/01/27/07/334012707.db2.gz AUPXSAUDDSVZPR-GOSISDBHSA-N 1 1 308.381 3.505 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)o1 ZINC000414539097 334012708 /nfs/dbraw/zinc/01/27/08/334012708.db2.gz AUPXSAUDDSVZPR-GOSISDBHSA-N 1 1 308.381 3.505 20 30 DHEDMO CC1(C#N)CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000272607342 334038191 /nfs/dbraw/zinc/03/81/91/334038191.db2.gz RSNDJCVWVCLQQH-CQSZACIVSA-N 1 1 313.228 3.652 20 30 DHEDMO C[C@@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(C)(C#N)CC1 ZINC000272645403 334038386 /nfs/dbraw/zinc/03/83/86/334038386.db2.gz YGUSKJBEMBCQBG-HNNXBMFYSA-N 1 1 321.424 3.792 20 30 DHEDMO C[C@H](C(=O)Nc1cccc2ccccc21)[NH+]1CCC(C)(C#N)CC1 ZINC000272645406 334038566 /nfs/dbraw/zinc/03/85/66/334038566.db2.gz YGUSKJBEMBCQBG-OAHLLOKOSA-N 1 1 321.424 3.792 20 30 DHEDMO C[N@@H+](CCCSCC#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273425260 334046678 /nfs/dbraw/zinc/04/66/78/334046678.db2.gz KOHCZQFCBHAFDT-IAGOWNOFSA-N 1 1 322.449 3.624 20 30 DHEDMO C=CCOc1ccc(CN(CC)[C@H]2CCC[NH2+]CC2)cc1Cl ZINC000414719294 334073980 /nfs/dbraw/zinc/07/39/80/334073980.db2.gz UWXYQYLTPRCKMG-INIZCTEOSA-N 1 1 322.880 3.869 20 30 DHEDMO C[N@H+](Cc1nc2c(s1)CCCC2)Cc1ccc(CC#N)cc1 ZINC000343534176 335175930 /nfs/dbraw/zinc/17/59/30/335175930.db2.gz HYVMWRINJCYOHU-UHFFFAOYSA-N 1 1 311.454 3.720 20 30 DHEDMO C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1ccc(CC#N)cc1 ZINC000343534176 335175932 /nfs/dbraw/zinc/17/59/32/335175932.db2.gz HYVMWRINJCYOHU-UHFFFAOYSA-N 1 1 311.454 3.720 20 30 DHEDMO C[C@@H](CO)[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CCCC1 ZINC000276477202 334079345 /nfs/dbraw/zinc/07/93/45/334079345.db2.gz RNONJCRDRVOAOU-HNNXBMFYSA-N 1 1 300.446 3.613 20 30 DHEDMO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C1CCCC1 ZINC000279329062 334108081 /nfs/dbraw/zinc/10/80/81/334108081.db2.gz COPSDKYFPOCSOS-UHFFFAOYSA-N 1 1 323.444 3.623 20 30 DHEDMO COc1ccc(C[N@@H+](C)CCCSC)cc1OCCCC#N ZINC000281169277 334123603 /nfs/dbraw/zinc/12/36/03/334123603.db2.gz GVEHKDGGHOTNER-UHFFFAOYSA-N 1 1 322.474 3.563 20 30 DHEDMO N#CC1(CCC[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)CCOCC1 ZINC000281638489 334127523 /nfs/dbraw/zinc/12/75/23/334127523.db2.gz BXFZTKFKJKNJPZ-QGZVFWFLSA-N 1 1 316.420 3.716 20 30 DHEDMO COc1ccc([C@@H](C)[N@@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000281897370 334129344 /nfs/dbraw/zinc/12/93/44/334129344.db2.gz FIIDUGFYURKPEI-MRXNPFEDSA-N 1 1 316.445 3.789 20 30 DHEDMO C[C@@H](c1ccccc1F)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281983293 334130173 /nfs/dbraw/zinc/13/01/73/334130173.db2.gz MCAHWAHKLMKALT-HNNXBMFYSA-N 1 1 304.409 3.919 20 30 DHEDMO C[C@@H](C[N@@H+](C)CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000282099010 334131456 /nfs/dbraw/zinc/13/14/56/334131456.db2.gz VVKDTBUGYWJAHP-KRWDZBQOSA-N 1 1 300.446 3.822 20 30 DHEDMO COc1ccc(C[N@@H+](CCCC#N)[C@@H](C)C2CC2)c(OC)c1 ZINC000282417626 334134616 /nfs/dbraw/zinc/13/46/16/334134616.db2.gz JDBHHYPJNVKQIS-AWEZNQCLSA-N 1 1 302.418 3.608 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291362200 334178056 /nfs/dbraw/zinc/17/80/56/334178056.db2.gz YKOQSAHCKGXUCP-HXUWFJFHSA-N 1 1 314.473 3.634 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CCC1(F)F ZINC000291558827 334179775 /nfs/dbraw/zinc/17/97/75/334179775.db2.gz MVSUGXNBBCHSIS-CQSZACIVSA-N 1 1 307.388 3.514 20 30 DHEDMO COc1ccc(C[N@@H+]2CCC[C@@](C)(F)C2)cc1OCCCC#N ZINC000294662171 334212155 /nfs/dbraw/zinc/21/21/55/334212155.db2.gz AMDUGWGPAORGOV-GOSISDBHSA-N 1 1 320.408 3.702 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@](C)(F)C2)cc1OCCCC#N ZINC000294662171 334212156 /nfs/dbraw/zinc/21/21/56/334212156.db2.gz AMDUGWGPAORGOV-GOSISDBHSA-N 1 1 320.408 3.702 20 30 DHEDMO N#CCCOCC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000294697732 334212680 /nfs/dbraw/zinc/21/26/80/334212680.db2.gz UIGILSHOALHCTQ-SFHVURJKSA-N 1 1 324.428 3.534 20 30 DHEDMO N#CCCOCC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000294697732 334212682 /nfs/dbraw/zinc/21/26/82/334212682.db2.gz UIGILSHOALHCTQ-SFHVURJKSA-N 1 1 324.428 3.534 20 30 DHEDMO N#CCC[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000299243719 334254245 /nfs/dbraw/zinc/25/42/45/334254245.db2.gz JGDAIWYDXWMPOR-AWEZNQCLSA-N 1 1 311.198 3.933 20 30 DHEDMO CC(C)[N@@H+](CCOc1ccccc1C#N)Cc1cccs1 ZINC000049028811 334309353 /nfs/dbraw/zinc/30/93/53/334309353.db2.gz BRUKWSCTKQDCLM-UHFFFAOYSA-N 1 1 300.427 3.909 20 30 DHEDMO C=C[C@H](CC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000121076823 334340965 /nfs/dbraw/zinc/34/09/65/334340965.db2.gz DHSWFCPEJKENGE-ZWKOTPCHSA-N 1 1 314.473 3.583 20 30 DHEDMO C=CCOc1cccc(CN2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000535083922 334366936 /nfs/dbraw/zinc/36/69/36/334366936.db2.gz LBYSDKIDRNKHEM-UHFFFAOYSA-N 1 1 302.462 3.558 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000340808266 334386984 /nfs/dbraw/zinc/38/69/84/334386984.db2.gz DDDNBXWFNKCRGM-DAYGRLMNSA-N 1 1 315.436 3.535 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc(F)c(F)c1 ZINC000425431245 334907249 /nfs/dbraw/zinc/90/72/49/334907249.db2.gz HPSDDGCPMHDOCN-HOTGVXAUSA-N 1 1 322.399 3.571 20 30 DHEDMO C=C(C)CC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343751351 335190545 /nfs/dbraw/zinc/19/05/45/335190545.db2.gz QBOSPRABSADCSR-LBPRGKRZSA-N 1 1 301.356 3.585 20 30 DHEDMO Cc1cccc(NCCNc2ccc(C(F)(F)F)cc2C#N)[nH+]1 ZINC000343853376 335197784 /nfs/dbraw/zinc/19/77/84/335197784.db2.gz NAMBIHOYBHZROG-UHFFFAOYSA-N 1 1 320.318 3.805 20 30 DHEDMO C=CCC(CC=C)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000343939777 335203256 /nfs/dbraw/zinc/20/32/56/335203256.db2.gz HFWBZYKFDYLGRW-JZXOWHBKSA-N 1 1 304.478 3.619 20 30 DHEDMO C=CCC(CC=C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000343953156 335207452 /nfs/dbraw/zinc/20/74/52/335207452.db2.gz YZMHSLQNLATFNF-UHFFFAOYSA-N 1 1 314.473 3.911 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000344738395 335272398 /nfs/dbraw/zinc/27/23/98/335272398.db2.gz SKKGGSFKQHCTPY-UHFFFAOYSA-N 1 1 313.445 3.565 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)o1 ZINC000345706895 335349129 /nfs/dbraw/zinc/34/91/29/335349129.db2.gz NNTCDXYLBUIREK-HNNXBMFYSA-N 1 1 302.761 3.808 20 30 DHEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)CC2(CCCC2)O1 ZINC000190975141 335356517 /nfs/dbraw/zinc/35/65/17/335356517.db2.gz BIKYUAWZOMJIQV-UHFFFAOYSA-N 1 1 302.393 3.621 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)CC2(CCCC2)O1 ZINC000190975141 335356519 /nfs/dbraw/zinc/35/65/19/335356519.db2.gz BIKYUAWZOMJIQV-UHFFFAOYSA-N 1 1 302.393 3.621 20 30 DHEDMO Cc1ccn2cc(C[NH2+][C@H](C)c3ccc(C#N)c(F)c3)nc2c1 ZINC000346130340 335379255 /nfs/dbraw/zinc/37/92/55/335379255.db2.gz MCABLOPWWOQKLF-CYBMUJFWSA-N 1 1 308.360 3.504 20 30 DHEDMO Cc1ccc2nc(C[NH2+][C@H](C)c3ccc(C#N)c(F)c3)cn2c1 ZINC000346143465 335380756 /nfs/dbraw/zinc/38/07/56/335380756.db2.gz YXPCXWMLAHIDLZ-CYBMUJFWSA-N 1 1 308.360 3.504 20 30 DHEDMO Cc1ccc2nc(C[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)cn2c1 ZINC000346143467 335380990 /nfs/dbraw/zinc/38/09/90/335380990.db2.gz YXPCXWMLAHIDLZ-ZDUSSCGKSA-N 1 1 308.360 3.504 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(F)(c3ccccn3)CC2)c(F)c1 ZINC000347682410 335516001 /nfs/dbraw/zinc/51/60/01/335516001.db2.gz CDBOVLNAQBBGAQ-UHFFFAOYSA-N 1 1 313.351 3.553 20 30 DHEDMO N#CCCC1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000583562396 335729419 /nfs/dbraw/zinc/72/94/19/335729419.db2.gz RCHDLGYYKXBKHE-UHFFFAOYSA-N 1 1 312.392 3.527 20 30 DHEDMO C=CC[NH+](CC=C)CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000114723920 335818151 /nfs/dbraw/zinc/81/81/51/335818151.db2.gz JRTOMPNXGBBDAV-OAHLLOKOSA-N 1 1 312.413 3.626 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329640268 336025400 /nfs/dbraw/zinc/02/54/00/336025400.db2.gz ZHZASYXIABWVTM-HUXNUIQUSA-N 1 1 315.461 3.582 20 30 DHEDMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000329966226 336100811 /nfs/dbraw/zinc/10/08/11/336100811.db2.gz UUICSKKEHOVZDY-NMHRLERGSA-N 1 1 321.465 3.546 20 30 DHEDMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000329966226 336100813 /nfs/dbraw/zinc/10/08/13/336100813.db2.gz UUICSKKEHOVZDY-NMHRLERGSA-N 1 1 321.465 3.546 20 30 DHEDMO NC(=O)C1(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC000330187698 336122119 /nfs/dbraw/zinc/12/21/19/336122119.db2.gz TYYGAHFMASNCRV-AWEZNQCLSA-N 1 1 321.465 3.836 20 30 DHEDMO CC[C@@H]1CCCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000351912072 336132287 /nfs/dbraw/zinc/13/22/87/336132287.db2.gz DHQKQEFCPUKLSR-QGZVFWFLSA-N 1 1 313.445 3.588 20 30 DHEDMO CCn1c2ccccc2nc1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000330309261 336146473 /nfs/dbraw/zinc/14/64/73/336146473.db2.gz UCZFNHDFKFVJDQ-AWEZNQCLSA-N 1 1 314.433 3.909 20 30 DHEDMO CC(C)Cc1nnc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)s1 ZINC000330312539 336151831 /nfs/dbraw/zinc/15/18/31/336151831.db2.gz WNHZXFYEQQPKBP-LBPRGKRZSA-N 1 1 310.467 3.589 20 30 DHEDMO NC(=O)C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCCC1 ZINC000330316291 336152906 /nfs/dbraw/zinc/15/29/06/336152906.db2.gz ZFSYTNKZJQSBKJ-OAHLLOKOSA-N 1 1 321.465 3.836 20 30 DHEDMO C[N@@H+](Cc1cccc(Br)c1)Cc1cccc(C#N)c1 ZINC000042374136 336239875 /nfs/dbraw/zinc/23/98/75/336239875.db2.gz PTYHVBJJOVWXTP-UHFFFAOYSA-N 1 1 315.214 3.953 20 30 DHEDMO C[C@H](C[N@@H+](CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000580378901 336261236 /nfs/dbraw/zinc/26/12/36/336261236.db2.gz DOFRAGOGKDMKGF-GOSISDBHSA-N 1 1 321.468 3.726 20 30 DHEDMO C[C@H](CN(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000580378901 336261237 /nfs/dbraw/zinc/26/12/37/336261237.db2.gz DOFRAGOGKDMKGF-GOSISDBHSA-N 1 1 321.468 3.726 20 30 DHEDMO COc1ccc(C[N@H+](Cc2cccc(C#N)c2F)C2CC2)cc1 ZINC000352865608 336283398 /nfs/dbraw/zinc/28/33/98/336283398.db2.gz CMDBGWGREJAYMR-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2cccc(C#N)c2F)C2CC2)cc1 ZINC000352865608 336283399 /nfs/dbraw/zinc/28/33/99/336283399.db2.gz CMDBGWGREJAYMR-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH+]1CCC([C@H](F)c2ccccc2F)CC1 ZINC000367138513 336287349 /nfs/dbraw/zinc/28/73/49/336287349.db2.gz PYRRQHULJXJDAG-KSSFIOAISA-N 1 1 317.383 3.992 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cccc(F)c2C#N)C1 ZINC000301297544 336299512 /nfs/dbraw/zinc/29/95/12/336299512.db2.gz SQTWKBOEULKWLX-CVEARBPZSA-N 1 1 315.436 3.788 20 30 DHEDMO C[C@H]1CCC[N@H+]1C1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000301792527 336330157 /nfs/dbraw/zinc/33/01/57/336330157.db2.gz RGWIAQSIIAQHFH-ZDUSSCGKSA-N 1 1 303.837 3.665 20 30 DHEDMO CCc1cc(NCc2cccc(O[C@@H](C#N)CC)c2)nc(C)[nH+]1 ZINC000302068559 336346709 /nfs/dbraw/zinc/34/67/09/336346709.db2.gz XEUCHWKHDKERLV-MRXNPFEDSA-N 1 1 310.401 3.641 20 30 DHEDMO C[N@H+]1CC[C@H](Nc2c(F)cc(C#N)cc2F)[C@@H]1c1ccccc1 ZINC000302830256 336371246 /nfs/dbraw/zinc/37/12/46/336371246.db2.gz PWBCVWWUHQTRHH-WMZOPIPTSA-N 1 1 313.351 3.694 20 30 DHEDMO CN(C)Cc1cc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)ccc1F ZINC000353258604 336408648 /nfs/dbraw/zinc/40/86/48/336408648.db2.gz CWBBNUZOTXJVIS-HXUWFJFHSA-N 1 1 323.415 3.536 20 30 DHEDMO CC(C)(C)n1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)nn1 ZINC000353916915 336448081 /nfs/dbraw/zinc/44/80/81/336448081.db2.gz RVDNOQDEUJGXLG-QGZVFWFLSA-N 1 1 311.433 3.558 20 30 DHEDMO CSc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)ccn1 ZINC000358569370 336634998 /nfs/dbraw/zinc/63/49/98/336634998.db2.gz MIMQWFYRMMOPFW-NSHDSACASA-N 1 1 301.390 3.665 20 30 DHEDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000362276028 336790471 /nfs/dbraw/zinc/79/04/71/336790471.db2.gz GLMAJSYTKQJSMR-GFCCVEGCSA-N 1 1 314.408 3.808 20 30 DHEDMO C=CCSc1ccccc1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000362817699 336812491 /nfs/dbraw/zinc/81/24/91/336812491.db2.gz NSEXKLTURLQBMQ-UHFFFAOYSA-N 1 1 313.426 3.678 20 30 DHEDMO N#CC1(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CCC1 ZINC000418142376 336896427 /nfs/dbraw/zinc/89/64/27/336896427.db2.gz NDTWDJQKPWMUCT-UHFFFAOYSA-N 1 1 300.736 3.725 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2/C=C/c2cccs2)cc1 ZINC000375150923 337004475 /nfs/dbraw/zinc/00/44/75/337004475.db2.gz HSRDPWXRIUPQGL-NYPDKFTISA-N 1 1 324.449 3.831 20 30 DHEDMO C=CCC[C@H](C(=O)NCc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000375373718 337009589 /nfs/dbraw/zinc/00/95/89/337009589.db2.gz PBDJPRADAGXFJS-SFHVURJKSA-N 1 1 323.440 3.586 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000122807768 337026496 /nfs/dbraw/zinc/02/64/96/337026496.db2.gz ZXALEVIODWIOER-UHFFFAOYSA-N 1 1 307.353 3.631 20 30 DHEDMO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCCC(C)(C)C#N ZINC000376508592 337035482 /nfs/dbraw/zinc/03/54/82/337035482.db2.gz VYOQPMATEZOTJN-AWEZNQCLSA-N 1 1 315.465 3.642 20 30 DHEDMO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCCC(C)(C)C#N ZINC000376508592 337035483 /nfs/dbraw/zinc/03/54/83/337035483.db2.gz VYOQPMATEZOTJN-AWEZNQCLSA-N 1 1 315.465 3.642 20 30 DHEDMO N#CCCCC[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000376557841 337036738 /nfs/dbraw/zinc/03/67/38/337036738.db2.gz LJVRPWSQBZQPEL-QGZVFWFLSA-N 1 1 321.465 3.594 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000377132217 337047401 /nfs/dbraw/zinc/04/74/01/337047401.db2.gz XCQFYJZSJWGAME-PCCBWWKXSA-N 1 1 320.436 3.882 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000377565444 337055256 /nfs/dbraw/zinc/05/52/56/337055256.db2.gz KZKUVAXEPZWANH-LAUBAEHRSA-N 1 1 320.436 3.993 20 30 DHEDMO Cn1cc([C@@H]2CC[N@@H+](CCCSCC#N)C2)c2ccccc21 ZINC000377930630 337064056 /nfs/dbraw/zinc/06/40/56/337064056.db2.gz DWDYBGDPOOUJSD-OAHLLOKOSA-N 1 1 313.470 3.614 20 30 DHEDMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)no1 ZINC000378170362 337067656 /nfs/dbraw/zinc/06/76/56/337067656.db2.gz VIARBPBKLHKIPW-INIZCTEOSA-N 1 1 324.428 3.559 20 30 DHEDMO COc1ccc([C@@H](O)[C@@H]2CCC[N@H+]2CCCC(C)(C)C#N)cc1 ZINC000378248075 337068733 /nfs/dbraw/zinc/06/87/33/337068733.db2.gz MPQHHEJPLKQHIE-ZWKOTPCHSA-N 1 1 316.445 3.523 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cnoc3C3CC3)CC2)cc1 ZINC000378404783 337072087 /nfs/dbraw/zinc/07/20/87/337072087.db2.gz PNGIHOPZLTYSQL-UHFFFAOYSA-N 1 1 305.381 3.713 20 30 DHEDMO C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000378514687 337074797 /nfs/dbraw/zinc/07/47/97/337074797.db2.gz FIFAXAWZLYTTKA-DQLDELGASA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000378514687 337074798 /nfs/dbraw/zinc/07/47/98/337074798.db2.gz FIFAXAWZLYTTKA-DQLDELGASA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@H](NC[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000378514687 337074799 /nfs/dbraw/zinc/07/47/99/337074799.db2.gz FIFAXAWZLYTTKA-DQLDELGASA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@H](NC[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000378514687 337074800 /nfs/dbraw/zinc/07/48/00/337074800.db2.gz FIFAXAWZLYTTKA-DQLDELGASA-N 1 1 319.452 3.902 20 30 DHEDMO CC[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000173775276 337138185 /nfs/dbraw/zinc/13/81/85/337138185.db2.gz VHCQYHHOFGSGII-UGSOOPFHSA-N 1 1 317.433 3.607 20 30 DHEDMO CC[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000173775276 337138186 /nfs/dbraw/zinc/13/81/86/337138186.db2.gz VHCQYHHOFGSGII-UGSOOPFHSA-N 1 1 317.433 3.607 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000174844969 337144975 /nfs/dbraw/zinc/14/49/75/337144975.db2.gz WUJFIXFDAIJJFA-HNNXBMFYSA-N 1 1 300.402 3.882 20 30 DHEDMO C#CCCOc1ccc(C[NH2+][C@@H](C)c2ncc(C)s2)cc1 ZINC000175860108 337149366 /nfs/dbraw/zinc/14/93/66/337149366.db2.gz VGBVFKFTELGTPO-AWEZNQCLSA-N 1 1 300.427 3.704 20 30 DHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000176695363 337152685 /nfs/dbraw/zinc/15/26/85/337152685.db2.gz WGGIEHZOHPCURR-ZFWWWQNUSA-N 1 1 317.458 3.603 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+](C)C2CCCCCC2)c(C#N)c1C ZINC000177240815 337155021 /nfs/dbraw/zinc/15/50/21/337155021.db2.gz JTZAVPRFTYZFGU-UHFFFAOYSA-N 1 1 319.474 3.830 20 30 DHEDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000177859190 337160717 /nfs/dbraw/zinc/16/07/17/337160717.db2.gz QFSONYFXSUTMAI-GFCCVEGCSA-N 1 1 314.408 3.808 20 30 DHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000179928443 337172744 /nfs/dbraw/zinc/17/27/44/337172744.db2.gz NYAWBIOBZMMHDL-DNVCBOLYSA-N 1 1 322.456 3.969 20 30 DHEDMO Cn1cc(C[N@H+](CCC#N)CC(C)(C)C)c(-c2cccs2)n1 ZINC000180059863 337173460 /nfs/dbraw/zinc/17/34/60/337173460.db2.gz MEMXVRMNAOLTQA-UHFFFAOYSA-N 1 1 316.474 3.910 20 30 DHEDMO Cn1cc(C[N@@H+](CCC#N)CC(C)(C)C)c(-c2cccs2)n1 ZINC000180059863 337173461 /nfs/dbraw/zinc/17/34/61/337173461.db2.gz MEMXVRMNAOLTQA-UHFFFAOYSA-N 1 1 316.474 3.910 20 30 DHEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000181302765 337181035 /nfs/dbraw/zinc/18/10/35/337181035.db2.gz UYGWBPCTMUMAGU-AWEZNQCLSA-N 1 1 317.458 3.527 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000181302765 337181036 /nfs/dbraw/zinc/18/10/36/337181036.db2.gz UYGWBPCTMUMAGU-AWEZNQCLSA-N 1 1 317.458 3.527 20 30 DHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C)nc1C ZINC000186791095 337259585 /nfs/dbraw/zinc/25/95/85/337259585.db2.gz MGSNNKOQLJMPTO-UHFFFAOYSA-N 1 1 311.385 3.795 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C)nc1C ZINC000186791095 337259586 /nfs/dbraw/zinc/25/95/86/337259586.db2.gz MGSNNKOQLJMPTO-UHFFFAOYSA-N 1 1 311.385 3.795 20 30 DHEDMO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1nc(C(C)(C)C)cs1 ZINC000190980617 337291912 /nfs/dbraw/zinc/29/19/12/337291912.db2.gz VELBZZCGCDLOEB-NSHDSACASA-N 1 1 302.447 3.502 20 30 DHEDMO Cn1cc(C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)cc1C#N ZINC000191178776 337292776 /nfs/dbraw/zinc/29/27/76/337292776.db2.gz FHGWHPBUZFKJCS-UHFFFAOYSA-N 1 1 308.212 3.836 20 30 DHEDMO COc1ccc(CC[C@H]2CCCC[N@H+]2CCCC#N)cc1OC ZINC000101908240 337386205 /nfs/dbraw/zinc/38/62/05/337386205.db2.gz OYLDEOSWSMCYLZ-QGZVFWFLSA-N 1 1 316.445 3.795 20 30 DHEDMO C=CCn1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)nn1 ZINC000424296365 337817031 /nfs/dbraw/zinc/81/70/31/337817031.db2.gz OFJKNTHLPSDKRV-QGZVFWFLSA-N 1 1 316.836 3.749 20 30 DHEDMO COC(=O)c1cccc(C[NH2+][C@H](C)c2cc(C)cc(C)c2)c1C#N ZINC000537105738 337891922 /nfs/dbraw/zinc/89/19/22/337891922.db2.gz VVMLSKMHGOBQKO-OAHLLOKOSA-N 1 1 322.408 3.813 20 30 DHEDMO COC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(F)cc1 ZINC000537174620 337906502 /nfs/dbraw/zinc/90/65/02/337906502.db2.gz UWVNYTFTVXZTLY-SFHVURJKSA-N 1 1 317.791 3.808 20 30 DHEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Br)s1 ZINC000514774864 337970617 /nfs/dbraw/zinc/97/06/17/337970617.db2.gz VUINYMBWKBQPJI-NXEZZACHSA-N 1 1 312.236 3.605 20 30 DHEDMO CC(C)n1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)n1 ZINC000516516230 338014320 /nfs/dbraw/zinc/01/43/20/338014320.db2.gz NYFSZAKPMAMIDF-UHFFFAOYSA-N 1 1 322.334 3.644 20 30 DHEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H]3CCC[C@@H]32)c2ccccc21 ZINC000426466955 338033000 /nfs/dbraw/zinc/03/30/00/338033000.db2.gz HOELEPBAMOKCKO-YJBOKZPZSA-N 1 1 321.424 3.612 20 30 DHEDMO C=CC[C@H](C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000426649908 338037013 /nfs/dbraw/zinc/03/70/13/338037013.db2.gz YWVRTCALSHUGFU-SCTDSRPQSA-N 1 1 314.473 3.583 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000428339514 338047877 /nfs/dbraw/zinc/04/78/77/338047877.db2.gz DDEGQLMKHROAIM-HNNXBMFYSA-N 1 1 310.372 3.598 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000428339514 338047878 /nfs/dbraw/zinc/04/78/78/338047878.db2.gz DDEGQLMKHROAIM-HNNXBMFYSA-N 1 1 310.372 3.598 20 30 DHEDMO COCC[N@H+](Cc1cccc(F)c1C#N)C[C@@H]1CC=CCC1 ZINC000428940295 338065784 /nfs/dbraw/zinc/06/57/84/338065784.db2.gz PPJLPFQWKDRURF-OAHLLOKOSA-N 1 1 302.393 3.502 20 30 DHEDMO C[C@]1(O)CCCC[C@@H]1[C@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428994875 338068210 /nfs/dbraw/zinc/06/82/10/338068210.db2.gz PYWPFMTZWUVKAU-QRQLOZEOSA-N 1 1 316.420 3.603 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](CSC)C2)c1C ZINC000429269964 338075475 /nfs/dbraw/zinc/07/54/75/338075475.db2.gz DASZUDPSIRDURU-INIZCTEOSA-N 1 1 320.502 3.549 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](CSC)C2)c1C ZINC000429269964 338075476 /nfs/dbraw/zinc/07/54/76/338075476.db2.gz DASZUDPSIRDURU-INIZCTEOSA-N 1 1 320.502 3.549 20 30 DHEDMO C[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000429560452 338084034 /nfs/dbraw/zinc/08/40/34/338084034.db2.gz NJEKHSWIWIDYHT-HZPDHXFCSA-N 1 1 323.440 3.858 20 30 DHEDMO CC[C@@H](C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1 ZINC000430161604 338099657 /nfs/dbraw/zinc/09/96/57/338099657.db2.gz NRCLHEUWKLPXNJ-HKUYNNGSSA-N 1 1 321.424 3.600 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2nc(C(=O)OCC)cs2)CCCC1(C)C ZINC000433209298 338186067 /nfs/dbraw/zinc/18/60/67/338186067.db2.gz XNJNQNFUVCOCRR-CQSZACIVSA-N 1 1 322.474 3.887 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2nc(C(=O)OCC)cs2)CCCC1(C)C ZINC000433209298 338186068 /nfs/dbraw/zinc/18/60/68/338186068.db2.gz XNJNQNFUVCOCRR-CQSZACIVSA-N 1 1 322.474 3.887 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000434532475 338219647 /nfs/dbraw/zinc/21/96/47/338219647.db2.gz YCBQXLDJMFLUKQ-LJQANCHMSA-N 1 1 319.408 3.506 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)cc1Cl ZINC000154445224 338243457 /nfs/dbraw/zinc/24/34/57/338243457.db2.gz OXBFMWZICPJAFT-INIZCTEOSA-N 1 1 309.837 3.640 20 30 DHEDMO CC[C@H](C)[C@H](C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000436244399 338263216 /nfs/dbraw/zinc/26/32/16/338263216.db2.gz YTEYVQUOMVSMLM-GJZGRUSLSA-N 1 1 313.445 3.786 20 30 DHEDMO C=CCC1(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CCCCC1 ZINC000448578767 338287832 /nfs/dbraw/zinc/28/78/32/338287832.db2.gz HCPKHQAKGFNBAB-HNNXBMFYSA-N 1 1 304.434 3.525 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)ccc1OC ZINC000438379089 338342268 /nfs/dbraw/zinc/34/22/68/338342268.db2.gz VEXMZKTWHOAXJK-JYJNAYRXSA-N 1 1 319.445 3.648 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)ccc1OC ZINC000438379089 338342269 /nfs/dbraw/zinc/34/22/69/338342269.db2.gz VEXMZKTWHOAXJK-JYJNAYRXSA-N 1 1 319.445 3.648 20 30 DHEDMO CCC1(CC)CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000438479706 338345396 /nfs/dbraw/zinc/34/53/96/338345396.db2.gz CEQDMWHJXOWONQ-UHFFFAOYSA-N 1 1 319.474 3.687 20 30 DHEDMO CCC1(CC)CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000438479706 338345397 /nfs/dbraw/zinc/34/53/97/338345397.db2.gz CEQDMWHJXOWONQ-UHFFFAOYSA-N 1 1 319.474 3.687 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440542658 338389820 /nfs/dbraw/zinc/38/98/20/338389820.db2.gz FBIPDYDTHWQJOR-GJYPPUQNSA-N 1 1 304.478 3.986 20 30 DHEDMO N#CC1CC[NH+](Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449017874 338583800 /nfs/dbraw/zinc/58/38/00/338583800.db2.gz LFPDMJQHBZXEDS-UHFFFAOYSA-N 1 1 301.390 3.685 20 30 DHEDMO C=CCC1(CNC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CCCC1 ZINC000459056259 339012305 /nfs/dbraw/zinc/01/23/05/339012305.db2.gz WIWGQNZTUMFNSG-DLBZAZTESA-N 1 1 321.509 3.637 20 30 DHEDMO C=CCOc1ccc(C[N@H+](CCc2cn[nH]c2)C(C)(C)C)cc1 ZINC000459364184 339024684 /nfs/dbraw/zinc/02/46/84/339024684.db2.gz LBZBUANSGYERGS-UHFFFAOYSA-N 1 1 313.445 3.818 20 30 DHEDMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000459471301 339031220 /nfs/dbraw/zinc/03/12/20/339031220.db2.gz SWCFOTBKFSQRTA-MJGOQNOKSA-N 1 1 319.408 3.721 20 30 DHEDMO C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1nc2c(s1)CCC2 ZINC000459629170 339039187 /nfs/dbraw/zinc/03/91/87/339039187.db2.gz DEHURABUAPLRKA-LBPRGKRZSA-N 1 1 316.857 3.988 20 30 DHEDMO C=CCc1cc(C[N@@H+]2CCCC[C@H]2COCC)cc(OC)c1O ZINC000459672358 339042168 /nfs/dbraw/zinc/04/21/68/339042168.db2.gz HZAQEWPFMICLPV-KRWDZBQOSA-N 1 1 319.445 3.520 20 30 DHEDMO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CC(C)(C)C1 ZINC000459744409 339045816 /nfs/dbraw/zinc/04/58/16/339045816.db2.gz RACVPRLHSRSSDA-UHFFFAOYSA-N 1 1 323.440 3.858 20 30 DHEDMO N#CC1(CCC[N@H+]2Cc3ccc(Cl)cc3C2)CCOCC1 ZINC000459751688 339046194 /nfs/dbraw/zinc/04/61/94/339046194.db2.gz BDSUXZYEYBZXEL-UHFFFAOYSA-N 1 1 304.821 3.756 20 30 DHEDMO N#CC1(CCC[N@@H+]2Cc3ccc(Cl)cc3C2)CCOCC1 ZINC000459751688 339046195 /nfs/dbraw/zinc/04/61/95/339046195.db2.gz BDSUXZYEYBZXEL-UHFFFAOYSA-N 1 1 304.821 3.756 20 30 DHEDMO C[C@@H](C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000459787370 339048613 /nfs/dbraw/zinc/04/86/13/339048613.db2.gz BYSANFLMBMFITI-KBPBESRZSA-N 1 1 302.418 3.529 20 30 DHEDMO C[C@H](C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000459787373 339048629 /nfs/dbraw/zinc/04/86/29/339048629.db2.gz BYSANFLMBMFITI-ZIAGYGMSSA-N 1 1 302.418 3.529 20 30 DHEDMO C=CCNC(=O)C[N@H+](Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000463219181 339110136 /nfs/dbraw/zinc/11/01/36/339110136.db2.gz AKAGQEMNRMTPKZ-KRWDZBQOSA-N 1 1 308.425 3.552 20 30 DHEDMO C=CCNC(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000463219181 339110137 /nfs/dbraw/zinc/11/01/37/339110137.db2.gz AKAGQEMNRMTPKZ-KRWDZBQOSA-N 1 1 308.425 3.552 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOc1ccc(F)cc1 ZINC000464826687 339155587 /nfs/dbraw/zinc/15/55/87/339155587.db2.gz FBOQNLCOQQSMPX-PMACEKPBSA-N 1 1 324.399 3.976 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOc1ccc(F)cc1 ZINC000464826687 339155588 /nfs/dbraw/zinc/15/55/88/339155588.db2.gz FBOQNLCOQQSMPX-PMACEKPBSA-N 1 1 324.399 3.976 20 30 DHEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000467297095 339230344 /nfs/dbraw/zinc/23/03/44/339230344.db2.gz LOJVDKWLJRJUTE-JTQLQIEISA-N 1 1 301.217 3.828 20 30 DHEDMO C=CCC[N@H+](C)[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000467295828 339230368 /nfs/dbraw/zinc/23/03/68/339230368.db2.gz VHTWSUBOZVNDGM-IBGZPJMESA-N 1 1 324.424 3.883 20 30 DHEDMO C=C[C@](C)(CC)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000467890162 339248739 /nfs/dbraw/zinc/24/87/39/339248739.db2.gz OOVCWDHWXSQEIK-WOJBJXKFSA-N 1 1 314.473 3.760 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000467904728 339249060 /nfs/dbraw/zinc/24/90/60/339249060.db2.gz WBZWCZMRANWJSK-QUCCMNQESA-N 1 1 314.473 3.616 20 30 DHEDMO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCCN(c2ccccc2)C1 ZINC000469292148 339285345 /nfs/dbraw/zinc/28/53/45/339285345.db2.gz FFLWRTDXZKJKLY-HXUWFJFHSA-N 1 1 323.415 3.798 20 30 DHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000469311251 339285790 /nfs/dbraw/zinc/28/57/90/339285790.db2.gz XHXMODZVNLQXIA-FUHWJXTLSA-N 1 1 314.429 3.530 20 30 DHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000469311251 339285791 /nfs/dbraw/zinc/28/57/91/339285791.db2.gz XHXMODZVNLQXIA-FUHWJXTLSA-N 1 1 314.429 3.530 20 30 DHEDMO C=CCOCCC[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000470872320 339329838 /nfs/dbraw/zinc/32/98/38/339329838.db2.gz RNRLQPOJDDKJGU-UHFFFAOYSA-N 1 1 316.214 3.613 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)c1 ZINC000470903221 339330752 /nfs/dbraw/zinc/33/07/52/339330752.db2.gz FOCOVPUGMZWIBT-IBGZPJMESA-N 1 1 324.399 3.879 20 30 DHEDMO C=C(C)C[N@@H+](CC(=O)N(C)Cc1ccccc1)Cc1ccccc1 ZINC000470922572 339331371 /nfs/dbraw/zinc/33/13/71/339331371.db2.gz WSZCWKRTWMTWJV-UHFFFAOYSA-N 1 1 322.452 3.723 20 30 DHEDMO C=C(C)C[N@H+](CC(=O)N(C)Cc1ccccc1)Cc1ccccc1 ZINC000470922572 339331372 /nfs/dbraw/zinc/33/13/72/339331372.db2.gz WSZCWKRTWMTWJV-UHFFFAOYSA-N 1 1 322.452 3.723 20 30 DHEDMO C=C(C)C[N@@H+](CCOCC(F)(F)C(F)F)Cc1ccccc1 ZINC000470924047 339331374 /nfs/dbraw/zinc/33/13/74/339331374.db2.gz SFNUADKEGMFGLU-UHFFFAOYSA-N 1 1 319.342 3.982 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000472774376 339377335 /nfs/dbraw/zinc/37/73/35/339377335.db2.gz XPOVVEBNFOJELU-CTNGQTDRSA-N 1 1 307.437 3.961 20 30 DHEDMO N#Cc1ccc(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)cc1F ZINC000484071326 339680390 /nfs/dbraw/zinc/68/03/90/339680390.db2.gz MXWYPBACPSPANI-UHFFFAOYSA-N 1 1 316.326 3.650 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(OCOCC)cc1)c1ccc(F)cc1 ZINC000491769483 339879910 /nfs/dbraw/zinc/87/99/10/339879910.db2.gz MMQDLNQDNDMKAU-IBGZPJMESA-N 1 1 313.372 3.663 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000496920085 340016192 /nfs/dbraw/zinc/01/61/92/340016192.db2.gz LDMLNYYMYGRPHT-UHFFFAOYSA-N 1 1 311.451 3.888 20 30 DHEDMO Cc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)ccc1Br ZINC000501028389 340072536 /nfs/dbraw/zinc/07/25/36/340072536.db2.gz JIVUVUKINYMXHQ-LLVKDONJSA-N 1 1 307.235 3.882 20 30 DHEDMO Cc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)ccc1Br ZINC000501028389 340072537 /nfs/dbraw/zinc/07/25/37/340072537.db2.gz JIVUVUKINYMXHQ-LLVKDONJSA-N 1 1 307.235 3.882 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000501319421 340078495 /nfs/dbraw/zinc/07/84/95/340078495.db2.gz SXNNSCHHMFSGNF-UHFFFAOYSA-N 1 1 324.424 3.986 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000501319421 340078496 /nfs/dbraw/zinc/07/84/96/340078496.db2.gz SXNNSCHHMFSGNF-UHFFFAOYSA-N 1 1 324.424 3.986 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000502442979 340103759 /nfs/dbraw/zinc/10/37/59/340103759.db2.gz FGUNTWHZAFHPLY-MJGOQNOKSA-N 1 1 314.473 3.854 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000502442979 340103760 /nfs/dbraw/zinc/10/37/60/340103760.db2.gz FGUNTWHZAFHPLY-MJGOQNOKSA-N 1 1 314.473 3.854 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000502442975 340103764 /nfs/dbraw/zinc/10/37/64/340103764.db2.gz FGUNTWHZAFHPLY-HKUYNNGSSA-N 1 1 314.473 3.854 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000502442975 340103765 /nfs/dbraw/zinc/10/37/65/340103765.db2.gz FGUNTWHZAFHPLY-HKUYNNGSSA-N 1 1 314.473 3.854 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(CC)c1ccccc1)Cc1ccccc1 ZINC000502633645 340109436 /nfs/dbraw/zinc/10/94/36/340109436.db2.gz AXUQGPRAQCJVIV-UHFFFAOYSA-N 1 1 308.425 3.728 20 30 DHEDMO C=CC[N@H+](CC(=O)N(CC)c1ccccc1)Cc1ccccc1 ZINC000502633645 340109437 /nfs/dbraw/zinc/10/94/37/340109437.db2.gz AXUQGPRAQCJVIV-UHFFFAOYSA-N 1 1 308.425 3.728 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505788662 340178106 /nfs/dbraw/zinc/17/81/06/340178106.db2.gz CBYXYPFJJRGJDZ-UHFFFAOYSA-N 1 1 314.360 3.965 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505788662 340178107 /nfs/dbraw/zinc/17/81/07/340178107.db2.gz CBYXYPFJJRGJDZ-UHFFFAOYSA-N 1 1 314.360 3.965 20 30 DHEDMO COc1ccc2cc(C[N@@H+](C)Cc3ccc(C#N)o3)ccc2c1 ZINC000506040000 340184038 /nfs/dbraw/zinc/18/40/38/340184038.db2.gz GPCPKNGGIWXNIS-UHFFFAOYSA-N 1 1 306.365 3.945 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000506064173 340184832 /nfs/dbraw/zinc/18/48/32/340184832.db2.gz QCOCADKJNJMKJC-UHFFFAOYSA-N 1 1 311.381 3.612 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H]2C(C)C)cc1OCCCC#N ZINC000507140055 340209220 /nfs/dbraw/zinc/20/92/20/340209220.db2.gz DCMCTBQAADGPGX-KRWDZBQOSA-N 1 1 316.445 3.998 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2c1OC(C)(C)C2 ZINC000507209374 340213537 /nfs/dbraw/zinc/21/35/37/340213537.db2.gz HKARWCWPMYLRKH-UHFFFAOYSA-N 1 1 306.409 3.904 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OCC1CC1 ZINC000507233828 340214930 /nfs/dbraw/zinc/21/49/30/340214930.db2.gz RNIYEDIATAEOCF-UHFFFAOYSA-N 1 1 306.409 3.979 20 30 DHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCC1CCCCC1 ZINC000507585989 340225624 /nfs/dbraw/zinc/22/56/24/340225624.db2.gz OJMZCRKIOJLHJB-OAHLLOKOSA-N 1 1 313.445 3.787 20 30 DHEDMO CC[C@@H]1C[C@H](C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)CCO1 ZINC000507794580 340231694 /nfs/dbraw/zinc/23/16/94/340231694.db2.gz LUCAVEJWXRDWAI-RTBURBONSA-N 1 1 300.446 3.974 20 30 DHEDMO CC[C@H]1C[C@H](C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)CCO1 ZINC000507794570 340231772 /nfs/dbraw/zinc/23/17/72/340231772.db2.gz LUCAVEJWXRDWAI-MOPGFXCFSA-N 1 1 300.446 3.974 20 30 DHEDMO C=CCc1cc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)cc(OC)c1O ZINC000508012143 340237300 /nfs/dbraw/zinc/23/73/00/340237300.db2.gz DCBHDVKGRYKZJE-ZDUSSCGKSA-N 1 1 301.430 3.892 20 30 DHEDMO C=C(C)CC[NH2+][C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000509032136 340258879 /nfs/dbraw/zinc/25/88/79/340258879.db2.gz MFJAQAYCYZGULE-MRXNPFEDSA-N 1 1 319.468 3.584 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC000509420289 340268985 /nfs/dbraw/zinc/26/89/85/340268985.db2.gz XCEKLPUHTDHFKI-UHFFFAOYSA-N 1 1 310.372 3.525 20 30 DHEDMO C=C(C)CC[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000509620205 340274734 /nfs/dbraw/zinc/27/47/34/340274734.db2.gz SUFMCJXJDIJGNU-UHFFFAOYSA-N 1 1 303.446 3.903 20 30 DHEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCCOC1 ZINC000510113084 340289248 /nfs/dbraw/zinc/28/92/48/340289248.db2.gz OMZWQBXSQCRMMO-IBGZPJMESA-N 1 1 306.409 3.836 20 30 DHEDMO C=CC[N@H+](CCc1nc2ccccc2n1C)Cc1ccccc1 ZINC000510224799 340293226 /nfs/dbraw/zinc/29/32/26/340293226.db2.gz VNTPBZUHXNOHME-UHFFFAOYSA-N 1 1 305.425 3.804 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1C[C@H](C)CC[C@@H]1c1ccccc1OC ZINC000510228129 340293305 /nfs/dbraw/zinc/29/33/05/340293305.db2.gz KVJGPCDQTHKFKA-SOLBZPMBSA-N 1 1 303.446 3.795 20 30 DHEDMO C[C@H]1C[C@@H](CCNc2cccc(C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000511605771 340332123 /nfs/dbraw/zinc/33/21/23/340332123.db2.gz WTMZKEGYVSXVCI-FUHWJXTLSA-N 1 1 320.440 3.666 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)cc1 ZINC000511666087 340334555 /nfs/dbraw/zinc/33/45/55/340334555.db2.gz TYIJSAGEXNYWGC-OAQYLSRUSA-N 1 1 323.436 3.997 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1c(C)nc2ccccn21 ZINC000512050282 340346760 /nfs/dbraw/zinc/34/67/60/340346760.db2.gz CAZIIPZHEMQERR-UHFFFAOYSA-N 1 1 305.425 3.873 20 30 DHEDMO C=C(C)C[N@@H+](CCCCC(C)(C)C#N)Cc1ccc(CO)o1 ZINC000512152698 340350099 /nfs/dbraw/zinc/35/00/99/340350099.db2.gz OKAYWAMEAGNFHK-UHFFFAOYSA-N 1 1 304.434 3.870 20 30 DHEDMO C=CCOc1cccc(CN2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000512530911 340365821 /nfs/dbraw/zinc/36/58/21/340365821.db2.gz BMKJRDOSBBKPGN-UHFFFAOYSA-N 1 1 314.473 3.702 20 30 DHEDMO CC[C@@H]1CCCC[N@H+]1CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000512612866 340368932 /nfs/dbraw/zinc/36/89/32/340368932.db2.gz QGYKWPIHUPBFJD-GOEBONIOSA-N 1 1 303.425 3.612 20 30 DHEDMO CC[C@@H]1CCCCN1CC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512612866 340368933 /nfs/dbraw/zinc/36/89/33/340368933.db2.gz QGYKWPIHUPBFJD-GOEBONIOSA-N 1 1 303.425 3.612 20 30 DHEDMO CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000512610624 340368966 /nfs/dbraw/zinc/36/89/66/340368966.db2.gz CROXNOXLZAMMPV-DOTOQJQBSA-N 1 1 317.452 3.858 20 30 DHEDMO CC(C)CN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512610624 340368967 /nfs/dbraw/zinc/36/89/67/340368967.db2.gz CROXNOXLZAMMPV-DOTOQJQBSA-N 1 1 317.452 3.858 20 30 DHEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512618820 340369238 /nfs/dbraw/zinc/36/92/38/340369238.db2.gz JVIJKURQRRBNAZ-QXSJWSMHSA-N 1 1 317.452 3.714 20 30 DHEDMO C[C@H](N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(C#N)cc1F ZINC000512632030 340370106 /nfs/dbraw/zinc/37/01/06/340370106.db2.gz VZCTYECIZYMRDR-YOEHRIQHSA-N 1 1 315.436 3.612 20 30 DHEDMO COc1cccc(C2=CC[N@H+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC000512687086 340373110 /nfs/dbraw/zinc/37/31/10/340373110.db2.gz MDUXEJGJIRQASG-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO COc1cccc(C2=CC[N@@H+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC000512687086 340373111 /nfs/dbraw/zinc/37/31/11/340373111.db2.gz MDUXEJGJIRQASG-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO C[C@H](C[N@@H+](C)CC#Cc1ccccc1Cl)c1nccs1 ZINC000543237483 341037456 /nfs/dbraw/zinc/03/74/56/341037456.db2.gz CWWQQUTUALGTBL-CYBMUJFWSA-N 1 1 304.846 3.884 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1ncccc1C(F)(F)F ZINC000130747611 341040483 /nfs/dbraw/zinc/04/04/83/341040483.db2.gz MEBGEWBJEUGATM-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ncccc1C(F)(F)F ZINC000130747611 341040484 /nfs/dbraw/zinc/04/04/84/341040484.db2.gz MEBGEWBJEUGATM-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO Cc1ncc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1-c1ccccc1 ZINC000131182853 341064105 /nfs/dbraw/zinc/06/41/05/341064105.db2.gz XGTJQSGPMLQZLP-UHFFFAOYSA-N 1 1 316.408 3.684 20 30 DHEDMO Cc1ncc(C[N@H+](C)Cc2ccc(C#N)cc2)n1-c1ccccc1 ZINC000131182853 341064106 /nfs/dbraw/zinc/06/41/06/341064106.db2.gz XGTJQSGPMLQZLP-UHFFFAOYSA-N 1 1 316.408 3.684 20 30 DHEDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000072775006 341105287 /nfs/dbraw/zinc/10/52/87/341105287.db2.gz RMMKVFIMEFJSQE-YJBOKZPZSA-N 1 1 313.445 3.787 20 30 DHEDMO C=CC[N@H+](CCc1scnc1C)Cc1ccc(OC)cc1 ZINC000074351057 341144566 /nfs/dbraw/zinc/14/45/66/341144566.db2.gz XLWRWVMXZFTAFY-UHFFFAOYSA-N 1 1 302.443 3.691 20 30 DHEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000134221633 341209947 /nfs/dbraw/zinc/20/99/47/341209947.db2.gz REQOQNCKIFVKFT-BFUOFWGJSA-N 1 1 310.372 3.521 20 30 DHEDMO C=CCN(Cc1ccccc1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000547430420 341212681 /nfs/dbraw/zinc/21/26/81/341212681.db2.gz VLRXAZLYOYMGMS-UHFFFAOYSA-N 1 1 314.473 3.856 20 30 DHEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCC(C)(C)C#N ZINC000134625315 341220221 /nfs/dbraw/zinc/22/02/21/341220221.db2.gz AKHJNZUKAGCYQF-GJZGRUSLSA-N 1 1 323.481 3.694 20 30 DHEDMO N#CCCC1CC[NH+](Cc2ccn(CCc3ccccc3)n2)CC1 ZINC000564327655 341225177 /nfs/dbraw/zinc/22/51/77/341225177.db2.gz WXKORVFNXLFSFZ-UHFFFAOYSA-N 1 1 322.456 3.642 20 30 DHEDMO CC(C)(C)C[N@@H+](CCCO)Cc1ccccc1C(C)(C)C#N ZINC000135205224 341233182 /nfs/dbraw/zinc/23/31/82/341233182.db2.gz WXBJARCZIBMFME-UHFFFAOYSA-N 1 1 302.462 3.718 20 30 DHEDMO CC(C)CO[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135287987 341235561 /nfs/dbraw/zinc/23/55/61/341235561.db2.gz XZSAVBMYQJCGNH-KRWDZBQOSA-N 1 1 300.446 3.735 20 30 DHEDMO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1C#N ZINC000548156973 341250048 /nfs/dbraw/zinc/25/00/48/341250048.db2.gz BQVHOBXPTYSZEF-CQSZACIVSA-N 1 1 314.816 3.595 20 30 DHEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1C#N ZINC000548156973 341250049 /nfs/dbraw/zinc/25/00/49/341250049.db2.gz BQVHOBXPTYSZEF-CQSZACIVSA-N 1 1 314.816 3.595 20 30 DHEDMO CC(C)[N@H+]1CC[C@H](CNc2cc(C#N)ccc2C(F)(F)F)C1 ZINC000548445551 341261239 /nfs/dbraw/zinc/26/12/39/341261239.db2.gz OERRTPTXZYMUKC-CYBMUJFWSA-N 1 1 311.351 3.719 20 30 DHEDMO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000548486977 341263467 /nfs/dbraw/zinc/26/34/67/341263467.db2.gz ZYOWPGVGPVHOSV-UHFFFAOYSA-N 1 1 319.880 3.764 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000081014681 341277927 /nfs/dbraw/zinc/27/79/27/341277927.db2.gz DZCAJTXOFFMNBE-HXUWFJFHSA-N 1 1 305.425 3.659 20 30 DHEDMO N#CCC[N@H+](CCC(=O)Nc1cccc2ccccc21)CC1CC1 ZINC000081043928 341278882 /nfs/dbraw/zinc/27/88/82/341278882.db2.gz GVJCBQRVXMTDMN-UHFFFAOYSA-N 1 1 321.424 3.794 20 30 DHEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000549181701 341288182 /nfs/dbraw/zinc/28/81/82/341288182.db2.gz UULWINCCKYBIJX-CYBMUJFWSA-N 1 1 316.351 3.908 20 30 DHEDMO CC(C)c1ccc(C[NH+]2CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000549346179 341291993 /nfs/dbraw/zinc/29/19/93/341291993.db2.gz VTJHBEKUHVJYDG-ICSRJNTNSA-N 1 1 311.473 3.620 20 30 DHEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](CC3CC3)C2)c1 ZINC000550041200 341308996 /nfs/dbraw/zinc/30/89/96/341308996.db2.gz XAMOPZZUVUKLSD-AWEZNQCLSA-N 1 1 319.246 3.943 20 30 DHEDMO C=CC[N@H+](CCc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000550306797 341314799 /nfs/dbraw/zinc/31/47/99/341314799.db2.gz JCEYNHBHQTXCLM-UHFFFAOYSA-N 1 1 311.425 3.935 20 30 DHEDMO C=CCOc1ccc(C[NH2+]C[C@@H](CC)N2CCCC2)cc1Cl ZINC000550616871 341319632 /nfs/dbraw/zinc/31/96/32/341319632.db2.gz KNSSVQNCRWMCSF-MRXNPFEDSA-N 1 1 322.880 3.869 20 30 DHEDMO CC(C)(C#N)CC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000551449920 341341981 /nfs/dbraw/zinc/34/19/81/341341981.db2.gz VHSIHGOIIJMEGC-UHFFFAOYSA-N 1 1 307.235 3.747 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCc2ccc(Br)cc2C1 ZINC000551449920 341341982 /nfs/dbraw/zinc/34/19/82/341341982.db2.gz VHSIHGOIIJMEGC-UHFFFAOYSA-N 1 1 307.235 3.747 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(CC(F)(F)F)CC2)c(F)c1 ZINC000551709002 341349526 /nfs/dbraw/zinc/34/95/26/341349526.db2.gz UWXAXQFSCFFNQH-UHFFFAOYSA-N 1 1 300.299 3.862 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000564390091 341382897 /nfs/dbraw/zinc/38/28/97/341382897.db2.gz OBAVERSTLKOHIW-ZWKOTPCHSA-N 1 1 306.494 3.846 20 30 DHEDMO COc1ccc(C2([NH2+]Cc3nc(C#N)cs3)CCCC2)cc1 ZINC000576554551 341852063 /nfs/dbraw/zinc/85/20/63/341852063.db2.gz LLPSBCJIZKDAAS-UHFFFAOYSA-N 1 1 313.426 3.582 20 30 DHEDMO COc1cc(F)c([C@@H](C)[NH2+]Cc2cc(C#N)cs2)cc1OC ZINC000177701685 341924241 /nfs/dbraw/zinc/92/42/41/341924241.db2.gz LKZKWYJOCDBIOR-SNVBAGLBSA-N 1 1 320.389 3.627 20 30 DHEDMO CC[N@@H+](C)C[C@@H]1CCN(c2c(C#N)cnc3c(C)cc(C)cc32)C1 ZINC000267209419 520245951 /nfs/dbraw/zinc/24/59/51/520245951.db2.gz GZIIHKTXZASPAE-INIZCTEOSA-N 1 1 322.456 3.501 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC)[C@@H]1CCCc2cccnc21 ZINC000365004889 521299744 /nfs/dbraw/zinc/29/97/44/521299744.db2.gz URRBKVWANXAWNK-GOSISDBHSA-N 1 1 321.424 3.861 20 30 DHEDMO CC[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCCc2cccnc21 ZINC000364997138 521314682 /nfs/dbraw/zinc/31/46/82/521314682.db2.gz BSFQNJUMNXTJGD-GOSISDBHSA-N 1 1 309.388 3.992 20 30 DHEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCCc2cccnc21 ZINC000364997138 521314690 /nfs/dbraw/zinc/31/46/90/521314690.db2.gz BSFQNJUMNXTJGD-GOSISDBHSA-N 1 1 309.388 3.992 20 30 DHEDMO CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000191470490 521662686 /nfs/dbraw/zinc/66/26/86/521662686.db2.gz IHJXWBAPDICAIH-INIZCTEOSA-N 1 1 310.445 3.790 20 30 DHEDMO CC[C@@H](C)[C@@H](C)[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000106439531 522287514 /nfs/dbraw/zinc/28/75/14/522287514.db2.gz RTEXLBNLMWKPBC-HUUCEWRRSA-N 1 1 313.445 3.786 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)c(OC)c1 ZINC000265451416 524009452 /nfs/dbraw/zinc/00/94/52/524009452.db2.gz DGNBHSBHGXDHMT-AWEZNQCLSA-N 1 1 310.397 3.768 20 30 DHEDMO C[C@H]1CCC[N@H+]1C1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000154897372 524119838 /nfs/dbraw/zinc/11/98/38/524119838.db2.gz KSCOGJKEIFLDMX-ZDUSSCGKSA-N 1 1 303.837 3.665 20 30 DHEDMO Cc1ccc(C#N)c(NCc2ccccc2C[N@H+](C)C(C)C)n1 ZINC000127755387 525993627 /nfs/dbraw/zinc/99/36/27/525993627.db2.gz FXIXXFIDPKUSBP-UHFFFAOYSA-N 1 1 308.429 3.714 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000102928787 526637313 /nfs/dbraw/zinc/63/73/13/526637313.db2.gz PCQXWSCAEALWJK-KRWDZBQOSA-N 1 1 324.355 3.763 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000102928787 526637318 /nfs/dbraw/zinc/63/73/18/526637318.db2.gz PCQXWSCAEALWJK-KRWDZBQOSA-N 1 1 324.355 3.763 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000267440508 526734880 /nfs/dbraw/zinc/73/48/80/526734880.db2.gz HYAHMKLCTWYYTA-IRXDYDNUSA-N 1 1 312.438 3.708 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182780307 1013063765 /nfs/dbraw/zinc/06/37/65/1013063765.db2.gz JWKDJOSOXYISMF-GVDBMIGSSA-N 1 1 321.509 3.683 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccncc2)c(F)c1 ZINC000336875597 1013118564 /nfs/dbraw/zinc/11/85/64/1013118564.db2.gz JHXHJKZZYZHRHR-FQEVSTJZSA-N 1 1 317.367 3.972 20 30 DHEDMO CCCCCCC/C=C/C[N@H+]1CC[C@]2(CCC[C@H]2C(N)=O)C1 ZINC001280214053 1013118593 /nfs/dbraw/zinc/11/85/93/1013118593.db2.gz APUOVFISFMFLNQ-RNBODJDXSA-N 1 1 306.494 3.881 20 30 DHEDMO Cc1cccc2c1ncc(C#N)c2NCCC[N@@H+]1CCCC[C@@H]1C ZINC000610245506 1013164142 /nfs/dbraw/zinc/16/41/42/1013164142.db2.gz KXDRPIXYKLKSJZ-INIZCTEOSA-N 1 1 322.456 3.513 20 30 DHEDMO C=C(CC)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001167130901 1013259338 /nfs/dbraw/zinc/25/93/38/1013259338.db2.gz JJPLBQKEPDSLBE-LSDHHAIUSA-N 1 1 300.229 3.850 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC001209428571 1013264794 /nfs/dbraw/zinc/26/47/94/1013264794.db2.gz MCNONDFGHDVLRN-UHFFFAOYSA-N 1 1 307.434 3.891 20 30 DHEDMO C=CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C(C)C ZINC001204442502 1013280236 /nfs/dbraw/zinc/28/02/36/1013280236.db2.gz ZPNOZYMCMSBKOT-HZPDHXFCSA-N 1 1 310.482 3.918 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155202699 1013289702 /nfs/dbraw/zinc/28/97/02/1013289702.db2.gz MPKWQWXENQWDKQ-LLVKDONJSA-N 1 1 322.334 3.504 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155202699 1013289708 /nfs/dbraw/zinc/28/97/08/1013289708.db2.gz MPKWQWXENQWDKQ-LLVKDONJSA-N 1 1 322.334 3.504 20 30 DHEDMO C=CC[N@@H+](CCOc1cccc(C#N)c1)CCc1ccccc1 ZINC000519507775 1013337904 /nfs/dbraw/zinc/33/79/04/1013337904.db2.gz JUXCIRDHIUSDDH-UHFFFAOYSA-N 1 1 306.409 3.668 20 30 DHEDMO C[C@H]1C[C@@H](CCNc2cnccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000519533281 1013368873 /nfs/dbraw/zinc/36/88/73/1013368873.db2.gz VMSZCGHYEOPMKJ-FUHWJXTLSA-N 1 1 320.440 3.666 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cs1 ZINC000894539802 1013411023 /nfs/dbraw/zinc/41/10/23/1013411023.db2.gz ZRHPOLIRLQWEBB-GOSISDBHSA-N 1 1 310.422 3.589 20 30 DHEDMO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC001173086297 1033536821 /nfs/dbraw/zinc/53/68/21/1033536821.db2.gz UKVLNHVZXAHBRI-DOMZBBRYSA-N 1 1 312.335 3.752 20 30 DHEDMO C=CCC[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000427459715 1013540895 /nfs/dbraw/zinc/54/08/95/1013540895.db2.gz SEXWLMNIKXHBBE-PKOBYXMFSA-N 1 1 314.473 3.537 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N(CC)c1ccccc1 ZINC000062364352 1013544990 /nfs/dbraw/zinc/54/49/90/1013544990.db2.gz HVYVLOCSDPVKLU-UHFFFAOYSA-N 1 1 322.452 3.770 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N(CC)c1ccccc1 ZINC000062364352 1013544995 /nfs/dbraw/zinc/54/49/95/1013544995.db2.gz HVYVLOCSDPVKLU-UHFFFAOYSA-N 1 1 322.452 3.770 20 30 DHEDMO N#Cc1ccc(CO[NH+]=C(N)CCCc2ccccc2)c(F)c1 ZINC000141243756 1013676996 /nfs/dbraw/zinc/67/69/96/1013676996.db2.gz NYETVVQSERRGLX-UHFFFAOYSA-N 1 1 311.360 3.509 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)CCC(=O)N(C)c1ccccc1 ZINC000441172809 1013679109 /nfs/dbraw/zinc/67/91/09/1013679109.db2.gz WQXBONNZZHJPDH-UHFFFAOYSA-N 1 1 315.461 3.691 20 30 DHEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000441179579 1013681817 /nfs/dbraw/zinc/68/18/17/1013681817.db2.gz VCSYTKUKFRDRNL-GOSISDBHSA-N 1 1 303.833 3.584 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000441179579 1013681820 /nfs/dbraw/zinc/68/18/20/1013681820.db2.gz VCSYTKUKFRDRNL-GOSISDBHSA-N 1 1 303.833 3.584 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441285198 1013703779 /nfs/dbraw/zinc/70/37/79/1013703779.db2.gz YMKDJBNINRSSAE-AEFFLSMTSA-N 1 1 312.457 3.736 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000441407808 1013739624 /nfs/dbraw/zinc/73/96/24/1013739624.db2.gz GNYOQSLNMGEIEF-CQSZACIVSA-N 1 1 312.388 3.769 20 30 DHEDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1coc(C2CCCCC2)n1 ZINC000328727161 1013797462 /nfs/dbraw/zinc/79/74/62/1013797462.db2.gz CZWFKUBABUJRFK-ZDUSSCGKSA-N 1 1 317.433 3.511 20 30 DHEDMO Cc1noc(C(C)C)c1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000330413685 1013816175 /nfs/dbraw/zinc/81/61/75/1013816175.db2.gz TVPRLNXPJCIMBU-CQSZACIVSA-N 1 1 307.438 3.531 20 30 DHEDMO C[C@@H]1CCC[N@@H+](CCCCNc2snc(Cl)c2C#N)C1 ZINC000048560432 1013828668 /nfs/dbraw/zinc/82/86/68/1013828668.db2.gz ISRYFENQSYTKKM-LLVKDONJSA-N 1 1 312.870 3.592 20 30 DHEDMO CCc1noc(C)c1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000330708929 1013833614 /nfs/dbraw/zinc/83/36/14/1013833614.db2.gz VWUPOKJOFIEDOR-CQSZACIVSA-N 1 1 321.465 3.751 20 30 DHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(C(C)(C)C)on1 ZINC000330881373 1013843277 /nfs/dbraw/zinc/84/32/77/1013843277.db2.gz AADBXODXMOGUSB-CYBMUJFWSA-N 1 1 307.438 3.541 20 30 DHEDMO Cc1noc(C(C)C)c1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000330972670 1013850796 /nfs/dbraw/zinc/85/07/96/1013850796.db2.gz NFHTUECPXRTJHL-UHFFFAOYSA-N 1 1 307.438 3.533 20 30 DHEDMO Cc1oc(C#N)cc1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000331231801 1013865070 /nfs/dbraw/zinc/86/50/70/1013865070.db2.gz QWFXLQCHURLTTH-BETUJISGSA-N 1 1 317.433 3.521 20 30 DHEDMO COc1ccc2c(c1)CCC[N@H+](CCc1ccc(C#N)cc1)C2 ZINC001167326920 1013886049 /nfs/dbraw/zinc/88/60/49/1013886049.db2.gz YAZSTYKWVVGAQD-UHFFFAOYSA-N 1 1 306.409 3.558 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000683889862 1014094527 /nfs/dbraw/zinc/09/45/27/1014094527.db2.gz RYTBPXYDZJFBDQ-RHSMWYFYSA-N 1 1 302.393 3.803 20 30 DHEDMO N#Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)nc1 ZINC000580445571 1014135827 /nfs/dbraw/zinc/13/58/27/1014135827.db2.gz KKUWUNJWJGFXJH-HXUWFJFHSA-N 1 1 303.409 3.995 20 30 DHEDMO N#Cc1cccnc1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000379907125 1014161028 /nfs/dbraw/zinc/16/10/28/1014161028.db2.gz KSVALAOUGCCAIV-SFHVURJKSA-N 1 1 320.440 3.667 20 30 DHEDMO Cc1ccccc1C[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000160524489 1014181238 /nfs/dbraw/zinc/18/12/38/1014181238.db2.gz CMTLYBIDDODVIE-UHFFFAOYSA-N 1 1 307.441 3.977 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2c[nH]nc21 ZINC000119256212 1014270833 /nfs/dbraw/zinc/27/08/33/1014270833.db2.gz BYYVVVDGNSNWBM-UHFFFAOYSA-N 1 1 304.397 3.847 20 30 DHEDMO CC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccc1OC(F)F ZINC000127789213 1014501444 /nfs/dbraw/zinc/50/14/44/1014501444.db2.gz PIPNLYNZLYIZIK-JSGCOSHPSA-N 1 1 307.344 3.772 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2nc(C)cs2)cc1OC ZINC000069168635 1014499254 /nfs/dbraw/zinc/49/92/54/1014499254.db2.gz WELQFRIHJDXYBU-CYBMUJFWSA-N 1 1 318.442 3.876 20 30 DHEDMO C=CCOc1cccc(CNCC2([NH+](C)C)CCCCC2)c1 ZINC000520955316 1014620716 /nfs/dbraw/zinc/62/07/16/1014620716.db2.gz RQRNCNQOKNMBER-UHFFFAOYSA-N 1 1 302.462 3.606 20 30 DHEDMO CC(C)[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1F ZINC000521195553 1014665006 /nfs/dbraw/zinc/66/50/06/1014665006.db2.gz GXYHFYORYRXKSI-UHFFFAOYSA-N 1 1 312.388 3.987 20 30 DHEDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)n1 ZINC000933128465 1014682340 /nfs/dbraw/zinc/68/23/40/1014682340.db2.gz USAXCXZZEMZCPL-KRWDZBQOSA-N 1 1 311.454 3.582 20 30 DHEDMO CC(C)(C)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC#N ZINC000093101119 1014730597 /nfs/dbraw/zinc/73/05/97/1014730597.db2.gz FDVPVGGZBWKNJS-RMKNXTFCSA-N 1 1 301.390 3.870 20 30 DHEDMO CC(C)(C)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC#N ZINC000093101119 1014730605 /nfs/dbraw/zinc/73/06/05/1014730605.db2.gz FDVPVGGZBWKNJS-RMKNXTFCSA-N 1 1 301.390 3.870 20 30 DHEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000442887340 1014762127 /nfs/dbraw/zinc/76/21/27/1014762127.db2.gz XVMYPWSRULJHJF-SFHVURJKSA-N 1 1 322.408 3.913 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)ccc1C#N ZINC000442888353 1014763711 /nfs/dbraw/zinc/76/37/11/1014763711.db2.gz GCDLCWWLDVZQHA-BEFAXECRSA-N 1 1 306.409 3.945 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)ccc1OC ZINC000443071430 1014800833 /nfs/dbraw/zinc/80/08/33/1014800833.db2.gz SMJJCUYQYFIIPI-RDJZCZTQSA-N 1 1 319.445 3.649 20 30 DHEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001167464774 1014898139 /nfs/dbraw/zinc/89/81/39/1014898139.db2.gz QNWLQMJSYQDTSM-SCWSEQNSSA-N 1 1 320.436 3.778 20 30 DHEDMO C#CCC1([NH2+][C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CCC1 ZINC000933304195 1014987666 /nfs/dbraw/zinc/98/76/66/1014987666.db2.gz ZGMMFFJZLUMCDR-ZDUSSCGKSA-N 1 1 313.376 3.781 20 30 DHEDMO COc1cccc(COc2ccc(C[NH+]3CC(CC#N)C3)cc2)c1 ZINC000895253789 1014995706 /nfs/dbraw/zinc/99/57/06/1014995706.db2.gz JZGPSQDROBAMBE-UHFFFAOYSA-N 1 1 322.408 3.620 20 30 DHEDMO C=CC1CC[NH+](Cc2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000443616343 1015037802 /nfs/dbraw/zinc/03/78/02/1015037802.db2.gz QZWCICKPURTQOW-UHFFFAOYSA-N 1 1 303.356 3.549 20 30 DHEDMO Cc1cc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C#N)n1 ZINC000308280743 1015057021 /nfs/dbraw/zinc/05/70/21/1015057021.db2.gz SATLSCCMVVIGSX-FUHWJXTLSA-N 1 1 320.440 3.584 20 30 DHEDMO C=CCN(CC[N@@H+]1Cc2cccc(C)c2C1)C(=O)OC(C)(C)C ZINC001207198503 1015065898 /nfs/dbraw/zinc/06/58/98/1015065898.db2.gz DZJMVAAIKHZGIW-UHFFFAOYSA-N 1 1 316.445 3.734 20 30 DHEDMO C=CCN(CC[N@H+]1Cc2cccc(C)c2C1)C(=O)OC(C)(C)C ZINC001207198503 1015065905 /nfs/dbraw/zinc/06/59/05/1015065905.db2.gz DZJMVAAIKHZGIW-UHFFFAOYSA-N 1 1 316.445 3.734 20 30 DHEDMO C=CCN(CC[N@H+](C)Cc1ccccc1)C(=O)OC(C)(C)C ZINC001207200135 1015083854 /nfs/dbraw/zinc/08/38/54/1015083854.db2.gz ZIQIIPQNTYVWQS-UHFFFAOYSA-N 1 1 304.434 3.542 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](Cc1cc(OC)ccc1OC)C(C)(C)C ZINC000474156232 1015120872 /nfs/dbraw/zinc/12/08/72/1015120872.db2.gz DMPGRRABXGWCNY-INIZCTEOSA-N 1 1 321.461 3.631 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000395061851 1015167455 /nfs/dbraw/zinc/16/74/55/1015167455.db2.gz JQNBMJIAXPLRKB-OAHLLOKOSA-N 1 1 307.397 3.580 20 30 DHEDMO C=C(C)C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC000106245622 1015181924 /nfs/dbraw/zinc/18/19/24/1015181924.db2.gz PTVFRPAPAXIANU-UHFFFAOYSA-N 1 1 324.472 3.515 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC000106245622 1015181930 /nfs/dbraw/zinc/18/19/30/1015181930.db2.gz PTVFRPAPAXIANU-UHFFFAOYSA-N 1 1 324.472 3.515 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000895562284 1015203249 /nfs/dbraw/zinc/20/32/49/1015203249.db2.gz CLLJMGJMYIMJCX-CYBMUJFWSA-N 1 1 320.458 3.940 20 30 DHEDMO C=CCC[N@@H+](C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000276494503 1015216961 /nfs/dbraw/zinc/21/69/61/1015216961.db2.gz VKQSIZVKFZKJQK-UHFFFAOYSA-N 1 1 311.307 3.763 20 30 DHEDMO C=CCC[N@H+](C)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000276494503 1015216968 /nfs/dbraw/zinc/21/69/68/1015216968.db2.gz VKQSIZVKFZKJQK-UHFFFAOYSA-N 1 1 311.307 3.763 20 30 DHEDMO C=CCN(CC[N@@H+](C)Cc1ccccc1F)C(=O)OC(C)(C)C ZINC001207205623 1015218153 /nfs/dbraw/zinc/21/81/53/1015218153.db2.gz MRWCPTPATZBWAD-UHFFFAOYSA-N 1 1 322.424 3.681 20 30 DHEDMO C=CCN(CC[N@H+](C)Cc1ccccc1F)C(=O)OC(C)(C)C ZINC001207205623 1015218156 /nfs/dbraw/zinc/21/81/56/1015218156.db2.gz MRWCPTPATZBWAD-UHFFFAOYSA-N 1 1 322.424 3.681 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000895836131 1015328544 /nfs/dbraw/zinc/32/85/44/1015328544.db2.gz WVVCMCYBEJZDRZ-UHFFFAOYSA-N 1 1 317.326 3.748 20 30 DHEDMO CC(C)CC[C@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000135305032 1015443842 /nfs/dbraw/zinc/44/38/42/1015443842.db2.gz UPBWFTZHSFCZFM-OAHLLOKOSA-N 1 1 319.474 3.849 20 30 DHEDMO N#Cc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cs1 ZINC000891623901 1015462005 /nfs/dbraw/zinc/46/20/05/1015462005.db2.gz RCNXXSRVQHCBMG-UHFFFAOYSA-N 1 1 313.382 3.693 20 30 DHEDMO N#Cc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cs1 ZINC000891623901 1015462016 /nfs/dbraw/zinc/46/20/16/1015462016.db2.gz RCNXXSRVQHCBMG-UHFFFAOYSA-N 1 1 313.382 3.693 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2ccc(C)s2)c1C ZINC000341555912 1015522153 /nfs/dbraw/zinc/52/21/53/1015522153.db2.gz BFBYBDAOSXJPPC-UHFFFAOYSA-N 1 1 316.470 3.976 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccc(C)s2)c1C ZINC000341555912 1015522162 /nfs/dbraw/zinc/52/21/62/1015522162.db2.gz BFBYBDAOSXJPPC-UHFFFAOYSA-N 1 1 316.470 3.976 20 30 DHEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000891716650 1015563375 /nfs/dbraw/zinc/56/33/75/1015563375.db2.gz VIPRMBKBABWUBP-MAUKXSAKSA-N 1 1 323.481 3.505 20 30 DHEDMO N#CCCCN1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000361834362 1032119497 /nfs/dbraw/zinc/11/94/97/1032119497.db2.gz SZBNMDFKEBCSIA-UHFFFAOYSA-N 1 1 311.473 3.811 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000896519067 1015616923 /nfs/dbraw/zinc/61/69/23/1015616923.db2.gz XABSAUSJVLGRCQ-ZIAGYGMSSA-N 1 1 303.475 3.751 20 30 DHEDMO N#Cc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001141897274 1015621947 /nfs/dbraw/zinc/62/19/47/1015621947.db2.gz LYCGHOLXQMRORB-JSGCOSHPSA-N 1 1 319.246 3.943 20 30 DHEDMO N#Cc1ccc(Br)cc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001141897274 1015621950 /nfs/dbraw/zinc/62/19/50/1015621950.db2.gz LYCGHOLXQMRORB-JSGCOSHPSA-N 1 1 319.246 3.943 20 30 DHEDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)CC12CCC2 ZINC000329157273 1015650030 /nfs/dbraw/zinc/65/00/30/1015650030.db2.gz WECOGJWUXHNMTN-ZDUSSCGKSA-N 1 1 316.401 3.515 20 30 DHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc(C#N)cc1CO ZINC000891845768 1015678038 /nfs/dbraw/zinc/67/80/38/1015678038.db2.gz RZAGGYLEXRATME-UHFFFAOYSA-N 1 1 323.440 3.503 20 30 DHEDMO CC(C)(C)OC(=O)Nc1ccsc1C[NH+]1CCC(C#N)CC1 ZINC000891852296 1015684896 /nfs/dbraw/zinc/68/48/96/1015684896.db2.gz KKVKOTGZZKMRFX-UHFFFAOYSA-N 1 1 321.446 3.831 20 30 DHEDMO CC(C)(C)OCCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000610682252 1015707180 /nfs/dbraw/zinc/70/71/80/1015707180.db2.gz IJGMEJBRRJBOLA-ZWKOTPCHSA-N 1 1 300.446 3.963 20 30 DHEDMO C[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccc2c(c1)OCO2 ZINC000329498057 1015718094 /nfs/dbraw/zinc/71/80/94/1015718094.db2.gz XSIMFQHNYULTTF-DZGCQCFKSA-N 1 1 318.417 3.697 20 30 DHEDMO C[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccc2c(c1)OCO2 ZINC000329498058 1015718821 /nfs/dbraw/zinc/71/88/21/1015718821.db2.gz XSIMFQHNYULTTF-ZFWWWQNUSA-N 1 1 318.417 3.697 20 30 DHEDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000092528790 1015765329 /nfs/dbraw/zinc/76/53/29/1015765329.db2.gz KIYBHBUGLUKUGX-HNNXBMFYSA-N 1 1 323.481 3.553 20 30 DHEDMO N#CCc1ccc(C[N@H+](Cc2ccccc2)CC2(CO)CC2)cc1 ZINC000341964990 1015859157 /nfs/dbraw/zinc/85/91/57/1015859157.db2.gz GQZPZBJHILJLQM-UHFFFAOYSA-N 1 1 320.436 3.527 20 30 DHEDMO COc1ccc(C[N@@H+]2CCOc3ccccc3[C@H]2C)cc1C#N ZINC000610993635 1015999356 /nfs/dbraw/zinc/99/93/56/1015999356.db2.gz XPUUNBCTUZVJPW-CQSZACIVSA-N 1 1 308.381 3.522 20 30 DHEDMO COc1ccc(C[N@H+]2CCOc3ccccc3[C@H]2C)cc1C#N ZINC000610993635 1015999363 /nfs/dbraw/zinc/99/93/63/1015999363.db2.gz XPUUNBCTUZVJPW-CQSZACIVSA-N 1 1 308.381 3.522 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cccnc2C)cc1 ZINC000255440807 1016134225 /nfs/dbraw/zinc/13/42/25/1016134225.db2.gz YTMAUXOXTKLGLG-YFHOEESVSA-N 1 1 303.365 3.780 20 30 DHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(C#N)cc3C)c2C1 ZINC000119591844 1016165564 /nfs/dbraw/zinc/16/55/64/1016165564.db2.gz WTOLNPOCBAPATF-UHFFFAOYSA-N 1 1 319.408 3.845 20 30 DHEDMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(C#N)cc3C)c2C1 ZINC000119591844 1016165568 /nfs/dbraw/zinc/16/55/68/1016165568.db2.gz WTOLNPOCBAPATF-UHFFFAOYSA-N 1 1 319.408 3.845 20 30 DHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001167516958 1016287049 /nfs/dbraw/zinc/28/70/49/1016287049.db2.gz LPYUGYPHLSSGCY-VQTJNVASSA-N 1 1 308.425 3.545 20 30 DHEDMO COc1cc(C[N@H+](C)Cc2ccc(Cl)s2)ccc1C#N ZINC000234928158 1016327487 /nfs/dbraw/zinc/32/74/87/1016327487.db2.gz KEGMYSGOSOATKW-UHFFFAOYSA-N 1 1 306.818 3.914 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2ccc(Cl)s2)ccc1C#N ZINC000234928158 1016327497 /nfs/dbraw/zinc/32/74/97/1016327497.db2.gz KEGMYSGOSOATKW-UHFFFAOYSA-N 1 1 306.818 3.914 20 30 DHEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCOc2cccc(C#N)c2)s1 ZINC000106875926 1016334386 /nfs/dbraw/zinc/33/43/86/1016334386.db2.gz FIDSBLMNLMGBGO-CYBMUJFWSA-N 1 1 315.442 3.703 20 30 DHEDMO C=CCCN(C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000346859439 1016609718 /nfs/dbraw/zinc/60/97/18/1016609718.db2.gz SCDZPZZLJORTEX-INIZCTEOSA-N 1 1 315.461 3.528 20 30 DHEDMO C=CCCCN(C)C(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000346934505 1016644642 /nfs/dbraw/zinc/64/46/42/1016644642.db2.gz FDQRGBXCUKDHPE-UHFFFAOYSA-N 1 1 302.462 3.957 20 30 DHEDMO Cc1noc(C)c1C[NH+](CCCCC#N)Cc1c(C)noc1C ZINC000346957221 1016655833 /nfs/dbraw/zinc/65/58/33/1016655833.db2.gz GPEGNUWTXKWWHI-UHFFFAOYSA-N 1 1 316.405 3.592 20 30 DHEDMO Cc1noc(C)c1CC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000336869449 1016729728 /nfs/dbraw/zinc/72/97/28/1016729728.db2.gz BZKDXCSVNNMVNI-MOPGFXCFSA-N 1 1 309.413 3.606 20 30 DHEDMO Cc1noc(C)c1CC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000336869449 1016729741 /nfs/dbraw/zinc/72/97/41/1016729741.db2.gz BZKDXCSVNNMVNI-MOPGFXCFSA-N 1 1 309.413 3.606 20 30 DHEDMO N#Cc1ccc(C[NH+]2CC(c3nc4ccccc4s3)C2)s1 ZINC000563354636 1016741334 /nfs/dbraw/zinc/74/13/34/1016741334.db2.gz NKUUAPQTWIWFEG-UHFFFAOYSA-N 1 1 311.435 3.829 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1CCCCOc1c(OC)cccc1OC ZINC000934462422 1016736267 /nfs/dbraw/zinc/73/62/67/1016736267.db2.gz DDRQRDZCDOXFAH-OAHLLOKOSA-N 1 1 305.418 3.513 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)cc1C#N ZINC000347203423 1016780930 /nfs/dbraw/zinc/78/09/30/1016780930.db2.gz PNGDODOUTPJTJF-RDTXWAMCSA-N 1 1 307.397 3.545 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1C#N ZINC000158498606 1016923719 /nfs/dbraw/zinc/92/37/19/1016923719.db2.gz CUXSGHSKJJUSAD-UHFFFAOYSA-N 1 1 307.372 3.981 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1C#N ZINC000158498606 1016923732 /nfs/dbraw/zinc/92/37/32/1016923732.db2.gz CUXSGHSKJJUSAD-UHFFFAOYSA-N 1 1 307.372 3.981 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1Cl ZINC000671312559 1016960294 /nfs/dbraw/zinc/96/02/94/1016960294.db2.gz SRFFQGVBGULFHV-GOSISDBHSA-N 1 1 321.848 3.907 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000523007203 1017042560 /nfs/dbraw/zinc/04/25/60/1017042560.db2.gz BVNKOSKYVXAKBE-INIZCTEOSA-N 1 1 314.473 3.641 20 30 DHEDMO C[C@@H]1C[C@@H](N2CCCC[C@@H]2C#N)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168058034 1017045835 /nfs/dbraw/zinc/04/58/35/1017045835.db2.gz ALVMIYCOVDBNPE-PIKOESSRSA-N 1 1 311.473 3.806 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000523008765 1017051791 /nfs/dbraw/zinc/05/17/91/1017051791.db2.gz BHIHNIWNOZZDBT-SFHVURJKSA-N 1 1 324.399 3.641 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000186257235 1017067888 /nfs/dbraw/zinc/06/78/88/1017067888.db2.gz SJGONFUCVSMPRW-HXUWFJFHSA-N 1 1 306.409 3.614 20 30 DHEDMO CCOC(C[N@@H+](CC)Cc1ccccc1C(C)(C)C#N)OCC ZINC000846975375 1032174943 /nfs/dbraw/zinc/17/49/43/1032174943.db2.gz QFNDVBXQYRCGSE-UHFFFAOYSA-N 1 1 318.461 3.709 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000847005959 1032175604 /nfs/dbraw/zinc/17/56/04/1032175604.db2.gz ZZGHDPQAAOHWHH-NSHDSACASA-N 1 1 303.768 3.939 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000847005959 1032175609 /nfs/dbraw/zinc/17/56/09/1032175609.db2.gz ZZGHDPQAAOHWHH-NSHDSACASA-N 1 1 303.768 3.939 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000847022492 1032181313 /nfs/dbraw/zinc/18/13/13/1032181313.db2.gz HVIHILPURVNHJW-ZDUSSCGKSA-N 1 1 300.789 3.840 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000847022492 1032181322 /nfs/dbraw/zinc/18/13/22/1032181322.db2.gz HVIHILPURVNHJW-ZDUSSCGKSA-N 1 1 300.789 3.840 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000847029711 1032183866 /nfs/dbraw/zinc/18/38/66/1032183866.db2.gz NIMVHFMUVHGUOR-CYBMUJFWSA-N 1 1 300.789 3.840 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000847029711 1032183872 /nfs/dbraw/zinc/18/38/72/1032183872.db2.gz NIMVHFMUVHGUOR-CYBMUJFWSA-N 1 1 300.789 3.840 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CC[C@@H](C)C1 ZINC000362170813 1032260580 /nfs/dbraw/zinc/26/05/80/1032260580.db2.gz SSRHTZDBIJSNBI-CZUORRHYSA-N 1 1 306.837 3.849 20 30 DHEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001171299372 1032285298 /nfs/dbraw/zinc/28/52/98/1032285298.db2.gz XYNWPPQPUVZCCP-BZSNNMDCSA-N 1 1 300.446 3.738 20 30 DHEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001171299380 1032287056 /nfs/dbraw/zinc/28/70/56/1032287056.db2.gz XYNWPPQPUVZCCP-SQNIBIBYSA-N 1 1 300.446 3.738 20 30 DHEDMO CC(C)OC(=O)CC[C@H](C)[N@H+](CCC#N)Cc1ccccc1 ZINC001172749989 1033341415 /nfs/dbraw/zinc/34/14/15/1033341415.db2.gz OXCSIOZUKGKGRK-INIZCTEOSA-N 1 1 302.418 3.523 20 30 DHEDMO CC(C)OC(=O)CC[C@H](C)[N@@H+](CCC#N)Cc1ccccc1 ZINC001172749989 1033341420 /nfs/dbraw/zinc/34/14/20/1033341420.db2.gz OXCSIOZUKGKGRK-INIZCTEOSA-N 1 1 302.418 3.523 20 30 DHEDMO COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CCC[C@H](CC#N)C1)CC2 ZINC001171322017 1032365902 /nfs/dbraw/zinc/36/59/02/1032365902.db2.gz QSJUCSRJIQUUKN-KGLIPLIRSA-N 1 1 318.848 3.832 20 30 DHEDMO Cc1nnc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)[nH]1 ZINC000428344552 1017266405 /nfs/dbraw/zinc/26/64/05/1017266405.db2.gz AKMMOCUQZNJGFM-CYBMUJFWSA-N 1 1 317.396 3.503 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000186434324 1017269184 /nfs/dbraw/zinc/26/91/84/1017269184.db2.gz NIZLGPGGDUQNDJ-INIZCTEOSA-N 1 1 316.408 3.937 20 30 DHEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000091919566 1032463977 /nfs/dbraw/zinc/46/39/77/1032463977.db2.gz KFUXALMYSZZSPO-MRXNPFEDSA-N 1 1 316.445 4.000 20 30 DHEDMO C[N@@H+](CC(C)(C)CCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000091933125 1032464055 /nfs/dbraw/zinc/46/40/55/1032464055.db2.gz DNWZEMFQRGYNIQ-IBGZPJMESA-N 1 1 313.489 3.913 20 30 DHEDMO CC[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@H](C)C#N ZINC000091983567 1032465860 /nfs/dbraw/zinc/46/58/60/1032465860.db2.gz SVVODDATYYSENZ-GFCCVEGCSA-N 1 1 302.809 3.712 20 30 DHEDMO CC[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@H](C)C#N ZINC000091983567 1032465864 /nfs/dbraw/zinc/46/58/64/1032465864.db2.gz SVVODDATYYSENZ-GFCCVEGCSA-N 1 1 302.809 3.712 20 30 DHEDMO Cc1ccc(C[C@H]2CCC[N@@H+](CCCSCC#N)C2)cc1 ZINC000074989760 1017285476 /nfs/dbraw/zinc/28/54/76/1017285476.db2.gz FNMURODUGQXVEA-GOSISDBHSA-N 1 1 302.487 3.896 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C)C[C@@H]2CCCCO2)ccc1OC ZINC000092428915 1032495295 /nfs/dbraw/zinc/49/52/95/1032495295.db2.gz IHXFCCFJKZVRMU-KRWDZBQOSA-N 1 1 319.445 3.651 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000093588980 1032547551 /nfs/dbraw/zinc/54/75/51/1032547551.db2.gz QXWRZBHEVSLSLA-UHFFFAOYSA-N 1 1 314.429 3.514 20 30 DHEDMO C=CC[N@@H+](Cc1cn(C)nc1C(C)(C)C)Cc1cccc(C#N)c1 ZINC000179856566 1017319362 /nfs/dbraw/zinc/31/93/62/1017319362.db2.gz IDGBLXLHNLKBPX-UHFFFAOYSA-N 1 1 322.456 3.777 20 30 DHEDMO C=CC[N@H+](Cc1cn(C)nc1C(C)(C)C)Cc1cccc(C#N)c1 ZINC000179856566 1017319374 /nfs/dbraw/zinc/31/93/74/1017319374.db2.gz IDGBLXLHNLKBPX-UHFFFAOYSA-N 1 1 322.456 3.777 20 30 DHEDMO C[C@H](NCc1ccc(C#N)cc1F)c1cccc(C[NH+](C)C)c1 ZINC000924980286 1012271700 /nfs/dbraw/zinc/27/17/00/1012271700.db2.gz PVICRZNYYSXTQS-AWEZNQCLSA-N 1 1 311.404 3.610 20 30 DHEDMO C[C@H](C#N)C[N@H+](C)CCCOc1cccc(C(F)(F)F)c1 ZINC000066376598 1012337865 /nfs/dbraw/zinc/33/78/65/1012337865.db2.gz XTULJAQBYDBQJX-GFCCVEGCSA-N 1 1 300.324 3.566 20 30 DHEDMO C[C@H](C#N)C[N@@H+](C)CCCOc1cccc(C(F)(F)F)c1 ZINC000066376598 1012337881 /nfs/dbraw/zinc/33/78/81/1012337881.db2.gz XTULJAQBYDBQJX-GFCCVEGCSA-N 1 1 300.324 3.566 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCCNc1c(C#N)cccc1[N+](=O)[O-] ZINC000425201861 1012351560 /nfs/dbraw/zinc/35/15/60/1012351560.db2.gz BCZVXKQUYWNQLX-AWEZNQCLSA-N 1 1 316.405 3.533 20 30 DHEDMO CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000064808457 1012413136 /nfs/dbraw/zinc/41/31/36/1012413136.db2.gz FDEIUCOCTIUDBT-JKSUJKDBSA-N 1 1 319.493 3.570 20 30 DHEDMO CC[N@H+](CC(=O)Nc1cccc(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000097393431 1012427538 /nfs/dbraw/zinc/42/75/38/1012427538.db2.gz WICQJVXZIHFPJY-INIZCTEOSA-N 1 1 321.424 3.888 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1cccc(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000097393431 1012427545 /nfs/dbraw/zinc/42/75/45/1012427545.db2.gz WICQJVXZIHFPJY-INIZCTEOSA-N 1 1 321.424 3.888 20 30 DHEDMO COCCOc1cccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425365852 1012493262 /nfs/dbraw/zinc/49/32/62/1012493262.db2.gz NKDNSYDNEKLTER-MRXNPFEDSA-N 1 1 324.424 3.776 20 30 DHEDMO N#Cc1cccc(OCCC[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000515168336 1012568859 /nfs/dbraw/zinc/56/88/59/1012568859.db2.gz WKJHTTDRNODIMG-KRWDZBQOSA-N 1 1 324.399 3.956 20 30 DHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000533399240 1012581193 /nfs/dbraw/zinc/58/11/93/1012581193.db2.gz KLHMVOLNIRAKHE-HZPDHXFCSA-N 1 1 321.424 3.621 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000515510577 1012648890 /nfs/dbraw/zinc/64/88/90/1012648890.db2.gz SLVZWVYINGCBOX-LJQANCHMSA-N 1 1 324.399 3.783 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+](C1CC1)C1CCC(CC)CC1 ZINC000515502752 1012649727 /nfs/dbraw/zinc/64/97/27/1012649727.db2.gz IIDNHKNATXATSA-UHFFFAOYSA-N 1 1 304.478 3.620 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000515539000 1012654501 /nfs/dbraw/zinc/65/45/01/1012654501.db2.gz CJAKGZHONUFQKI-UHFFFAOYSA-N 1 1 314.473 3.513 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1cccc(F)c1)Cc1ccccc1 ZINC000515548240 1012658450 /nfs/dbraw/zinc/65/84/50/1012658450.db2.gz NYALBDXZKJSFOY-UHFFFAOYSA-N 1 1 312.388 3.843 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1Cl ZINC000537687493 1032643914 /nfs/dbraw/zinc/64/39/14/1032643914.db2.gz IUPQAGNEEOCQLW-DOTOQJQBSA-N 1 1 321.848 3.906 20 30 DHEDMO COc1ccc2c(c1)C[N@H+](CCCc1ccc(C#N)cc1)CC2 ZINC001208860300 1012705985 /nfs/dbraw/zinc/70/59/85/1012705985.db2.gz JVRCEKAFVSYEJQ-UHFFFAOYSA-N 1 1 306.409 3.558 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)cc1 ZINC000558412420 1012711211 /nfs/dbraw/zinc/71/12/11/1012711211.db2.gz ZEYJNNSGLFUUID-WMZOPIPTSA-N 1 1 303.446 3.767 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)CCc1ccccc1 ZINC000425537228 1012736394 /nfs/dbraw/zinc/73/63/94/1012736394.db2.gz QDMWXKOPGFTRTA-OXJNMPFZSA-N 1 1 308.425 3.545 20 30 DHEDMO C[C@H](C[NH+]1CCC(C#N)(c2ccccc2F)CC1)C(F)(F)F ZINC001208898062 1012772858 /nfs/dbraw/zinc/77/28/58/1012772858.db2.gz LKEIXDTXASIBLM-GFCCVEGCSA-N 1 1 314.326 3.881 20 30 DHEDMO C=C(Br)C[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000125073738 1032672196 /nfs/dbraw/zinc/67/21/96/1032672196.db2.gz OKVOMWFVHICNBP-SECBINFHSA-N 1 1 306.150 3.847 20 30 DHEDMO C=CC[N@H+](CCc1cccc(C)n1)Cc1cccc([N+](=O)[O-])c1 ZINC000517362767 1012971663 /nfs/dbraw/zinc/97/16/63/1012971663.db2.gz AVPSPTGZNJHAOQ-UHFFFAOYSA-N 1 1 311.385 3.529 20 30 DHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000336864544 1013015504 /nfs/dbraw/zinc/01/55/04/1013015504.db2.gz GYOGQLZLBDLBHI-WMZOPIPTSA-N 1 1 311.429 3.541 20 30 DHEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000342732911 1017124235 /nfs/dbraw/zinc/12/42/35/1017124235.db2.gz FGTJJWVVXCYMKS-UONOGXRCSA-N 1 1 300.402 3.506 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000186312331 1017129667 /nfs/dbraw/zinc/12/96/67/1017129667.db2.gz LDHUMNVJHHJIGT-NRFANRHFSA-N 1 1 320.436 3.640 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1ccccc1)[C@H](C)CCO ZINC000186317055 1017146046 /nfs/dbraw/zinc/14/60/46/1017146046.db2.gz DECQNAQYSVZEDO-QGZVFWFLSA-N 1 1 308.425 3.640 20 30 DHEDMO COc1cccc(F)c1[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000179901003 1017324770 /nfs/dbraw/zinc/32/47/70/1017324770.db2.gz WWZWEFPNNVLPAI-ZDUSSCGKSA-N 1 1 301.336 3.676 20 30 DHEDMO CCc1ccccc1NC(=O)C[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000122883870 1017394304 /nfs/dbraw/zinc/39/43/04/1017394304.db2.gz BVJMBDRBDAIUAU-OAHLLOKOSA-N 1 1 321.424 3.752 20 30 DHEDMO CCc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000122883870 1017394312 /nfs/dbraw/zinc/39/43/12/1017394312.db2.gz BVJMBDRBDAIUAU-OAHLLOKOSA-N 1 1 321.424 3.752 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC000076415764 1017397270 /nfs/dbraw/zinc/39/72/70/1017397270.db2.gz DXHLMLGEDLCYLX-CQSZACIVSA-N 1 1 302.418 3.673 20 30 DHEDMO Cc1ccc(C#N)c(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000346858193 1017399002 /nfs/dbraw/zinc/39/90/02/1017399002.db2.gz ZOHZSFNJEGXVKC-BEFAXECRSA-N 1 1 320.440 3.584 20 30 DHEDMO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1nc(C2CCCCC2)no1 ZINC000249034691 1017510145 /nfs/dbraw/zinc/51/01/45/1017510145.db2.gz RZFDQUZKVAYBOR-GUTXKFCHSA-N 1 1 302.422 3.850 20 30 DHEDMO N#Cc1ccc(F)c(C[NH2+][C@H]2CCc3ccc(Cl)nc32)c1 ZINC000857905189 1032710015 /nfs/dbraw/zinc/71/00/15/1032710015.db2.gz AMACAUIRRVELFR-AWEZNQCLSA-N 1 1 301.752 3.523 20 30 DHEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444614873 1017592833 /nfs/dbraw/zinc/59/28/33/1017592833.db2.gz XMIQMOJZEXOBEF-DLBZAZTESA-N 1 1 321.509 3.723 20 30 DHEDMO Cc1[nH+]ccn1CCCNc1c(C#N)cnc2c(C)cc(C)cc21 ZINC000078333297 1017595457 /nfs/dbraw/zinc/59/54/57/1017595457.db2.gz MVTVVYYQIKZOAN-UHFFFAOYSA-N 1 1 319.412 3.730 20 30 DHEDMO Cc1cc(C)cc(C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)c1 ZINC000444696625 1017638746 /nfs/dbraw/zinc/63/87/46/1017638746.db2.gz VZCBBVVZYXHRPB-UHFFFAOYSA-N 1 1 321.424 3.636 20 30 DHEDMO CC(C)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC1CCC1 ZINC000444773710 1017671592 /nfs/dbraw/zinc/67/15/92/1017671592.db2.gz FPCWUQGWTGVVEV-UHFFFAOYSA-N 1 1 310.401 3.619 20 30 DHEDMO CCC(N)=[NH+]OCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000077409609 1017714061 /nfs/dbraw/zinc/71/40/61/1017714061.db2.gz HDAJPFDHWVVVPM-UHFFFAOYSA-N 1 1 305.422 3.571 20 30 DHEDMO N#Cc1ccc(F)c(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c1F ZINC001143174647 1017759499 /nfs/dbraw/zinc/75/94/99/1017759499.db2.gz VAOARALUXTZDOD-CYBMUJFWSA-N 1 1 308.347 3.941 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2c(CC)cccc2CC)C1 ZINC000625703600 1017777623 /nfs/dbraw/zinc/77/76/23/1017777623.db2.gz NQAMKDSOWYXXTP-HNNXBMFYSA-N 1 1 300.446 3.648 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCCO)Cc2cccc(Cl)c2)cc1 ZINC000134287571 1017789934 /nfs/dbraw/zinc/78/99/34/1017789934.db2.gz GZPFPPXKQYJTJC-UHFFFAOYSA-N 1 1 314.816 3.596 20 30 DHEDMO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](CO)c2c(Cl)cccc2Cl)C1 ZINC000475630265 1017911135 /nfs/dbraw/zinc/91/11/35/1017911135.db2.gz ZBRCPTXGOMPCMB-GYSYKLTISA-N 1 1 313.228 3.699 20 30 DHEDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000183715287 1018037785 /nfs/dbraw/zinc/03/77/85/1018037785.db2.gz PHMJNUQWOWNEAE-INIZCTEOSA-N 1 1 309.413 3.957 20 30 DHEDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000183730780 1018042029 /nfs/dbraw/zinc/04/20/29/1018042029.db2.gz DZCJZJDHZIWXNY-INIZCTEOSA-N 1 1 309.413 3.957 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000153976960 1018073497 /nfs/dbraw/zinc/07/34/97/1018073497.db2.gz KXWLTKBIADLERD-ZDUSSCGKSA-N 1 1 301.390 3.704 20 30 DHEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000674709196 1018116086 /nfs/dbraw/zinc/11/60/86/1018116086.db2.gz HASRPAXGIWTBIK-SFHVURJKSA-N 1 1 300.446 3.564 20 30 DHEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1OC)Cc1ccccc1 ZINC000524892929 1018119612 /nfs/dbraw/zinc/11/96/12/1018119612.db2.gz SRQFKGKQVGDLBZ-UHFFFAOYSA-N 1 1 324.424 3.858 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cn1ccc(-c2nccs2)n1 ZINC000766070176 1018141534 /nfs/dbraw/zinc/14/15/34/1018141534.db2.gz QRSGWWLLOBCUTE-UHFFFAOYSA-N 1 1 324.453 3.695 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)NC(C)(C)CC)c1ccc(F)c(F)c1 ZINC000187775922 1018162103 /nfs/dbraw/zinc/16/21/03/1018162103.db2.gz VLFREURGMXASMS-MLGOLLRUSA-N 1 1 324.415 3.865 20 30 DHEDMO C[C@H]1SCC[N@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)[C@H]1C ZINC000121688897 1018252691 /nfs/dbraw/zinc/25/26/91/1018252691.db2.gz BDPCZSDSIFIILL-QWHCGFSZSA-N 1 1 313.426 3.539 20 30 DHEDMO C[C@H]1SCC[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)[C@H]1C ZINC000121688897 1018252705 /nfs/dbraw/zinc/25/27/05/1018252705.db2.gz BDPCZSDSIFIILL-QWHCGFSZSA-N 1 1 313.426 3.539 20 30 DHEDMO CCc1ccc(C[N@@H+](C)CCOc2ccc(C#N)cc2OC)cc1 ZINC000525422775 1018289256 /nfs/dbraw/zinc/28/92/56/1018289256.db2.gz REXYGKQRRNNWBP-UHFFFAOYSA-N 1 1 324.424 3.640 20 30 DHEDMO C[C@@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)[C@@H](c2ccco2)C1 ZINC000245684767 1018304410 /nfs/dbraw/zinc/30/44/10/1018304410.db2.gz AIYIEMKBXOAKAJ-RHSMWYFYSA-N 1 1 320.396 3.772 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@@H](c2ccco2)C1 ZINC000245684767 1018304419 /nfs/dbraw/zinc/30/44/19/1018304419.db2.gz AIYIEMKBXOAKAJ-RHSMWYFYSA-N 1 1 320.396 3.772 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc1 ZINC000447081341 1018324988 /nfs/dbraw/zinc/32/49/88/1018324988.db2.gz FFAMMYHTCITJMM-UHFFFAOYSA-N 1 1 313.445 3.904 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc1 ZINC000447081341 1018324998 /nfs/dbraw/zinc/32/49/98/1018324998.db2.gz FFAMMYHTCITJMM-UHFFFAOYSA-N 1 1 313.445 3.904 20 30 DHEDMO CC#CC[N@H+](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000525633589 1018340057 /nfs/dbraw/zinc/34/00/57/1018340057.db2.gz FMDAQNBQSFFLSF-UHFFFAOYSA-N 1 1 309.409 3.729 20 30 DHEDMO CC[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(C#N)cc1 ZINC000447526243 1018405432 /nfs/dbraw/zinc/40/54/32/1018405432.db2.gz CDEHXGOZCOLLBD-CQSZACIVSA-N 1 1 322.334 3.558 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC)c1 ZINC000766122315 1018426721 /nfs/dbraw/zinc/42/67/21/1018426721.db2.gz SWWBUSGAANJYRE-HXUWFJFHSA-N 1 1 311.425 3.807 20 30 DHEDMO CC#CCC[N@H+](CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000156496665 1018459776 /nfs/dbraw/zinc/45/97/76/1018459776.db2.gz PIORDMRTPZREQL-UHFFFAOYSA-N 1 1 308.466 3.511 20 30 DHEDMO C=CC[NH+](CC=C)Cc1ccc(OC)cc1OCc1cccnc1 ZINC000447798339 1018473822 /nfs/dbraw/zinc/47/38/22/1018473822.db2.gz VSEITUMXXXOYRT-UHFFFAOYSA-N 1 1 324.424 3.843 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000765148189 1018484426 /nfs/dbraw/zinc/48/44/26/1018484426.db2.gz UABNCYQLYSEMIT-RDTXWAMCSA-N 1 1 322.880 3.809 20 30 DHEDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000447835028 1018484604 /nfs/dbraw/zinc/48/46/04/1018484604.db2.gz MGPFSUJXTCCDCW-WBVHZDCISA-N 1 1 300.446 3.613 20 30 DHEDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000447835025 1018484851 /nfs/dbraw/zinc/48/48/51/1018484851.db2.gz MGPFSUJXTCCDCW-DOTOQJQBSA-N 1 1 300.446 3.613 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000675502490 1018513564 /nfs/dbraw/zinc/51/35/64/1018513564.db2.gz RPYDDUVTKHGZGR-CJNGLKHVSA-N 1 1 324.262 3.913 20 30 DHEDMO C=CC[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)[C@@H](C)COC ZINC000661244879 1018704531 /nfs/dbraw/zinc/70/45/31/1018704531.db2.gz XBCOKVVDKMXKGT-LBPRGKRZSA-N 1 1 322.355 3.643 20 30 DHEDMO C=CC[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)[C@@H](C)COC ZINC000661244879 1018704541 /nfs/dbraw/zinc/70/45/41/1018704541.db2.gz XBCOKVVDKMXKGT-LBPRGKRZSA-N 1 1 322.355 3.643 20 30 DHEDMO COc1cc(F)c([C@H](C)[NH2+]Cc2csc(C#N)c2)cc1OC ZINC000921740681 1018722254 /nfs/dbraw/zinc/72/22/54/1018722254.db2.gz ABQQNFZJKRWFEU-JTQLQIEISA-N 1 1 320.389 3.627 20 30 DHEDMO C[C@@H]1C[C@@H](NCC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000405150684 1018730861 /nfs/dbraw/zinc/73/08/61/1018730861.db2.gz OKFYUTBAARMCSP-MJGOQNOKSA-N 1 1 311.473 3.713 20 30 DHEDMO CC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)CC1CCC1 ZINC000619515831 1018741566 /nfs/dbraw/zinc/74/15/66/1018741566.db2.gz ZQNJNFXLVBGYES-UHFFFAOYSA-N 1 1 308.429 3.674 20 30 DHEDMO CC[N@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)CC1CCC1 ZINC000619515831 1018741572 /nfs/dbraw/zinc/74/15/72/1018741572.db2.gz ZQNJNFXLVBGYES-UHFFFAOYSA-N 1 1 308.429 3.674 20 30 DHEDMO Cc1cccc2c1CC[C@H]([N@H+](CCC#N)Cc1cccnc1)C2 ZINC001171565239 1032785838 /nfs/dbraw/zinc/78/58/38/1032785838.db2.gz MSJJLQFWDSIYSV-IBGZPJMESA-N 1 1 305.425 3.663 20 30 DHEDMO Cc1cccc2c1CC[C@H]([N@@H+](CCC#N)Cc1cccnc1)C2 ZINC001171565239 1032785844 /nfs/dbraw/zinc/78/58/44/1032785844.db2.gz MSJJLQFWDSIYSV-IBGZPJMESA-N 1 1 305.425 3.663 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000583957664 1018777883 /nfs/dbraw/zinc/77/78/83/1018777883.db2.gz HWTPSUIVMZONLW-FOIQADDNSA-N 1 1 324.399 3.854 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000583957664 1018777887 /nfs/dbraw/zinc/77/78/87/1018777887.db2.gz HWTPSUIVMZONLW-FOIQADDNSA-N 1 1 324.399 3.854 20 30 DHEDMO C=CCCC[C@H](C)OC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000765458985 1018795135 /nfs/dbraw/zinc/79/51/35/1018795135.db2.gz QCXDLOOORUSWQC-INIZCTEOSA-N 1 1 316.445 3.894 20 30 DHEDMO N#Cc1cc(C[NH2+]Cc2cccnc2OC2CCCC2)cs1 ZINC000921525038 1018822803 /nfs/dbraw/zinc/82/28/03/1018822803.db2.gz ULGDWZOPFHNBOA-UHFFFAOYSA-N 1 1 313.426 3.626 20 30 DHEDMO C=CCCCC[N@@H+]1CCOc2cccc(Br)c2C1 ZINC001171567488 1032788288 /nfs/dbraw/zinc/78/82/88/1032788288.db2.gz KVXZIYZSDQFJIG-UHFFFAOYSA-N 1 1 310.235 4.000 20 30 DHEDMO C=CCCCC[N@H+]1CCOc2cccc(Br)c2C1 ZINC001171567488 1032788293 /nfs/dbraw/zinc/78/82/93/1032788293.db2.gz KVXZIYZSDQFJIG-UHFFFAOYSA-N 1 1 310.235 4.000 20 30 DHEDMO Cc1ccc2nc(C[NH2+]Cc3c(C)cc(C#N)cc3C)[nH]c2c1 ZINC000921807970 1018889713 /nfs/dbraw/zinc/88/97/13/1018889713.db2.gz UAXUZSLXYILKTB-UHFFFAOYSA-N 1 1 304.397 3.650 20 30 DHEDMO CC[C@H](C)[C@H](C)[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000584056094 1018907914 /nfs/dbraw/zinc/90/79/14/1018907914.db2.gz DVBLCULINIPATD-STQMWFEESA-N 1 1 301.390 3.865 20 30 DHEDMO C[C@H](c1ccc(F)cc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801171 1018941589 /nfs/dbraw/zinc/94/15/89/1018941589.db2.gz MICCUZXBAVHAPD-MRXNPFEDSA-N 1 1 323.415 3.971 20 30 DHEDMO CCC[N@@H+](Cc1nc(C#N)cs1)[C@@H]1CCc2ccccc2C1 ZINC000584144872 1018980577 /nfs/dbraw/zinc/98/05/77/1018980577.db2.gz RZZRRFIRBWNSKQ-QGZVFWFLSA-N 1 1 311.454 3.784 20 30 DHEDMO C[N@@H+](Cc1cc(C#N)ccc1F)Cc1cc2ccccc2[nH]c1=O ZINC000111200983 1019005931 /nfs/dbraw/zinc/00/59/31/1019005931.db2.gz ZIJAOMPWRKQMKC-UHFFFAOYSA-N 1 1 321.355 3.583 20 30 DHEDMO C[N@H+](Cc1cc(C#N)ccc1F)Cc1cc2ccccc2[nH]c1=O ZINC000111200983 1019005947 /nfs/dbraw/zinc/00/59/47/1019005947.db2.gz ZIJAOMPWRKQMKC-UHFFFAOYSA-N 1 1 321.355 3.583 20 30 DHEDMO C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)Cc1cccc(C#N)c1 ZINC000130766254 1019072355 /nfs/dbraw/zinc/07/23/55/1019072355.db2.gz WROZOUYYRYGVLQ-UHFFFAOYSA-N 1 1 320.371 3.719 20 30 DHEDMO CC[C@H](C)[C@H](C)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000112600397 1019143497 /nfs/dbraw/zinc/14/34/97/1019143497.db2.gz YGJZBIBPIJOLTG-GJZGRUSLSA-N 1 1 313.445 3.786 20 30 DHEDMO C=CCCCCC[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338597457 1019275473 /nfs/dbraw/zinc/27/54/73/1019275473.db2.gz KWSQSOCGDGUUBC-UHFFFAOYSA-N 1 1 310.445 3.978 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1cccc(C#N)c1 ZINC000340625277 1019420217 /nfs/dbraw/zinc/42/02/17/1019420217.db2.gz YMANDGPDMWNYBG-MRXNPFEDSA-N 1 1 316.408 3.654 20 30 DHEDMO CC(C)C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(C#N)o1 ZINC000611257895 1019425378 /nfs/dbraw/zinc/42/53/78/1019425378.db2.gz YIPHHMCVLXFXSW-UHFFFAOYSA-N 1 1 300.377 3.991 20 30 DHEDMO C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1CC(C)(C)CCC#N ZINC000611268190 1019427350 /nfs/dbraw/zinc/42/73/50/1019427350.db2.gz QCEZAQBSCUEVKI-SFHVURJKSA-N 1 1 313.489 3.913 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000611272014 1019427807 /nfs/dbraw/zinc/42/78/07/1019427807.db2.gz XXTORVABIYPNMB-INIZCTEOSA-N 1 1 300.452 3.910 20 30 DHEDMO COC(=O)C(C)(C)[C@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000611323070 1019443033 /nfs/dbraw/zinc/44/30/33/1019443033.db2.gz JLLMGMIDTRRSEE-PBHICJAKSA-N 1 1 314.429 3.530 20 30 DHEDMO COC(=O)C(C)(C)[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000611323077 1019443466 /nfs/dbraw/zinc/44/34/66/1019443466.db2.gz JLLMGMIDTRRSEE-YOEHRIQHSA-N 1 1 314.429 3.530 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCCCC[C@H]2C)c1C#N ZINC000611347250 1019454205 /nfs/dbraw/zinc/45/42/05/1019454205.db2.gz RSJHVZZIQGPOLZ-OAHLLOKOSA-N 1 1 308.429 3.817 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCCC[C@H]2C)c1C#N ZINC000611347250 1019454208 /nfs/dbraw/zinc/45/42/08/1019454208.db2.gz RSJHVZZIQGPOLZ-OAHLLOKOSA-N 1 1 308.429 3.817 20 30 DHEDMO C#CC[N@@H+](Cc1ccc2nccnc2c1)[C@@H]1CCc2ccccc21 ZINC001137088700 1032831741 /nfs/dbraw/zinc/83/17/41/1032831741.db2.gz MFVGVMSUKGCKGY-OAQYLSRUSA-N 1 1 313.404 3.753 20 30 DHEDMO C[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)[N@@H+]1CCCC[C@H]1C ZINC000611390642 1019466556 /nfs/dbraw/zinc/46/65/56/1019466556.db2.gz MMNBFGNJQXVKIL-GQIGUUNPSA-N 1 1 311.473 3.788 20 30 DHEDMO C[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)[N@H+]1CCCC[C@H]1C ZINC000611390642 1019466564 /nfs/dbraw/zinc/46/65/64/1019466564.db2.gz MMNBFGNJQXVKIL-GQIGUUNPSA-N 1 1 311.473 3.788 20 30 DHEDMO COC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(C)o1 ZINC000611393358 1019469198 /nfs/dbraw/zinc/46/91/98/1019469198.db2.gz DAILVBUTJVUTQO-ZWKOTPCHSA-N 1 1 310.397 3.814 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cn1nc(Cl)c2ccccc21 ZINC000158855078 1019487502 /nfs/dbraw/zinc/48/75/02/1019487502.db2.gz OKGVBFCVOQIJIH-UHFFFAOYSA-N 1 1 310.788 3.651 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)Cn1nc(Cl)c2ccccc21 ZINC000158855078 1019487510 /nfs/dbraw/zinc/48/75/10/1019487510.db2.gz OKGVBFCVOQIJIH-UHFFFAOYSA-N 1 1 310.788 3.651 20 30 DHEDMO COc1nc(C)cc(C)c1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000611465623 1019493106 /nfs/dbraw/zinc/49/31/06/1019493106.db2.gz JMARNOZDHMFFBW-ZDUSSCGKSA-N 1 1 313.376 3.569 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)c(F)c1 ZINC000114467984 1019513097 /nfs/dbraw/zinc/51/30/97/1019513097.db2.gz WPYXQTZEOFKDKA-FQEVSTJZSA-N 1 1 324.399 3.569 20 30 DHEDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000255620102 1019521457 /nfs/dbraw/zinc/52/14/57/1019521457.db2.gz NSPMCEOCNBXPTG-XQRVVYSFSA-N 1 1 307.353 3.612 20 30 DHEDMO CC(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000114729178 1019576646 /nfs/dbraw/zinc/57/66/46/1019576646.db2.gz GZCMQWAQRBURIY-CQSZACIVSA-N 1 1 319.474 3.706 20 30 DHEDMO COC(=O)c1cccc(Cl)c1C[NH+]1CCC(CCC#N)CC1 ZINC000567609525 1019641797 /nfs/dbraw/zinc/64/17/97/1019641797.db2.gz OJBYOSPBMBUYCF-UHFFFAOYSA-N 1 1 320.820 3.642 20 30 DHEDMO C=CCOc1ccc(CNC[C@H](C)[NH+]2CCCCC2)cc1Cl ZINC000727467266 1019714946 /nfs/dbraw/zinc/71/49/46/1019714946.db2.gz XTYVLBXJVSNKJZ-HNNXBMFYSA-N 1 1 322.880 3.869 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C)c(OC)c1 ZINC000685442349 1019820498 /nfs/dbraw/zinc/82/04/98/1019820498.db2.gz LGMCGNAFHZLOSF-UHFFFAOYSA-N 1 1 315.413 3.667 20 30 DHEDMO COc1ccc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cc1C#N ZINC000179188069 1019821897 /nfs/dbraw/zinc/82/18/97/1019821897.db2.gz STMRJHQWACJXTP-UHFFFAOYSA-N 1 1 320.392 3.562 20 30 DHEDMO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000116387105 1019875158 /nfs/dbraw/zinc/87/51/58/1019875158.db2.gz DFQQRTOMZLUMGS-UHFFFAOYSA-N 1 1 322.408 3.514 20 30 DHEDMO CC[N@@H+](CC#Cc1ccccc1Cl)[C@H]1CCOC(C)(C)C1 ZINC000685590328 1019965278 /nfs/dbraw/zinc/96/52/78/1019965278.db2.gz YKBAPUJLGOSBDP-INIZCTEOSA-N 1 1 305.849 3.971 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168721673 1019973922 /nfs/dbraw/zinc/97/39/22/1019973922.db2.gz QSLDBDSCZCXLCQ-QGZVFWFLSA-N 1 1 308.812 3.737 20 30 DHEDMO C[C@@H]1C[C@@H](N(C)Cc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC001171768719 1032869102 /nfs/dbraw/zinc/86/91/02/1032869102.db2.gz WZVYVPVRRKCFFO-DYESRHJHSA-N 1 1 319.452 3.653 20 30 DHEDMO C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)c2)CN1Cc1ccccc1 ZINC001171768719 1032869121 /nfs/dbraw/zinc/86/91/21/1032869121.db2.gz WZVYVPVRRKCFFO-DYESRHJHSA-N 1 1 319.452 3.653 20 30 DHEDMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)CN1Cc1ccccc1 ZINC001171768719 1032869138 /nfs/dbraw/zinc/86/91/38/1032869138.db2.gz WZVYVPVRRKCFFO-DYESRHJHSA-N 1 1 319.452 3.653 20 30 DHEDMO C[C@H]1C[C@@H](N(C)Cc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC001171768722 1032869880 /nfs/dbraw/zinc/86/98/80/1032869880.db2.gz WZVYVPVRRKCFFO-LAUBAEHRSA-N 1 1 319.452 3.653 20 30 DHEDMO C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)c2)CN1Cc1ccccc1 ZINC001171768722 1032869896 /nfs/dbraw/zinc/86/98/96/1032869896.db2.gz WZVYVPVRRKCFFO-LAUBAEHRSA-N 1 1 319.452 3.653 20 30 DHEDMO C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)CN1Cc1ccccc1 ZINC001171768722 1032869915 /nfs/dbraw/zinc/86/99/15/1032869915.db2.gz WZVYVPVRRKCFFO-LAUBAEHRSA-N 1 1 319.452 3.653 20 30 DHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2nc(C)cs2)c1 ZINC000858378445 1032870019 /nfs/dbraw/zinc/87/00/19/1032870019.db2.gz KNEUCMKYSFRXOG-UKRRQHHQSA-N 1 1 315.442 3.983 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1cccc(C#N)c1 ZINC000731211917 1020079781 /nfs/dbraw/zinc/07/97/81/1020079781.db2.gz IKRHJGALHPJNPP-UHFFFAOYSA-N 1 1 317.392 3.649 20 30 DHEDMO COCCC[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000092537405 1020097200 /nfs/dbraw/zinc/09/72/00/1020097200.db2.gz XPUYWQFFGKDNSR-UHFFFAOYSA-N 1 1 324.424 3.606 20 30 DHEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093689497 1020167933 /nfs/dbraw/zinc/16/79/33/1020167933.db2.gz KMBMUZSGRJOWED-DNVCBOLYSA-N 1 1 316.408 3.584 20 30 DHEDMO CCCCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732442890 1020243519 /nfs/dbraw/zinc/24/35/19/1020243519.db2.gz BPBZAUYSXMXTII-KRWDZBQOSA-N 1 1 309.498 3.615 20 30 DHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000619621180 1020250805 /nfs/dbraw/zinc/25/08/05/1020250805.db2.gz CEBNSQZBBHBNBE-KGLIPLIRSA-N 1 1 318.383 3.750 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000331291708 1020261654 /nfs/dbraw/zinc/26/16/54/1020261654.db2.gz WOSCRJUPANCFIL-YOEHRIQHSA-N 1 1 314.429 3.673 20 30 DHEDMO C=CCCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000338670532 1020316599 /nfs/dbraw/zinc/31/65/99/1020316599.db2.gz LHHVSSONFALTMK-MRXNPFEDSA-N 1 1 300.446 3.643 20 30 DHEDMO CCOc1cc(Cl)ccc1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902886894 1020317459 /nfs/dbraw/zinc/31/74/59/1020317459.db2.gz VWKAMPRUGTWEKT-GFCCVEGCSA-N 1 1 315.804 3.856 20 30 DHEDMO CC[N@@H+](Cc1cccc2c1OCCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000122962047 1020329661 /nfs/dbraw/zinc/32/96/61/1020329661.db2.gz CVWJNMKPRBASCN-OAHLLOKOSA-N 1 1 322.408 3.913 20 30 DHEDMO CC[N@@H+](Cc1cccc(OC)c1O)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463940 1020354644 /nfs/dbraw/zinc/35/46/44/1020354644.db2.gz DOLMIYPYWYLMLM-AWEZNQCLSA-N 1 1 310.397 3.856 20 30 DHEDMO CC[N@H+](Cc1nnc(-c2ccco2)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340647 1020377396 /nfs/dbraw/zinc/37/73/96/1020377396.db2.gz FESPGLZHKLMTFM-ZDUSSCGKSA-N 1 1 322.368 3.784 20 30 DHEDMO CC[N@@H+](Cc1nnc(-c2ccco2)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340647 1020377408 /nfs/dbraw/zinc/37/74/08/1020377408.db2.gz FESPGLZHKLMTFM-ZDUSSCGKSA-N 1 1 322.368 3.784 20 30 DHEDMO N#Cc1ccc(Cl)cc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161901824 1020426751 /nfs/dbraw/zinc/42/67/51/1020426751.db2.gz BBNDBEBHEBMIMH-RHSMWYFYSA-N 1 1 315.848 3.665 20 30 DHEDMO C=C1CC(C)(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001171814032 1032900908 /nfs/dbraw/zinc/90/09/08/1032900908.db2.gz FFXREWMEBOFBSU-GOSISDBHSA-N 1 1 312.457 3.514 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](CC2CCC2)[C@@H](C)c2ccccc2)C1=O ZINC000337134354 1032903597 /nfs/dbraw/zinc/90/35/97/1032903597.db2.gz BHHQGEZDSRNGMU-LPHOPBHVSA-N 1 1 312.457 3.637 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+](Cc2ccc3ccccc3c2)C2CC2)C1=O ZINC000337137582 1032904973 /nfs/dbraw/zinc/90/49/73/1032904973.db2.gz OGFHYSNVRAEBIJ-HXUWFJFHSA-N 1 1 320.436 3.591 20 30 DHEDMO COc1ccc2oc([C@@H](C)[NH2+]Cc3ccc(C#N)cn3)c(C)c2c1 ZINC000554066366 1020523886 /nfs/dbraw/zinc/52/38/86/1020523886.db2.gz GWUIFJVHWJQDSX-CYBMUJFWSA-N 1 1 321.380 3.867 20 30 DHEDMO COc1ccc2oc([C@H](C)[NH2+]Cc3ccc(C#N)cn3)c(C)c2c1 ZINC000554066368 1020524278 /nfs/dbraw/zinc/52/42/78/1020524278.db2.gz GWUIFJVHWJQDSX-ZDUSSCGKSA-N 1 1 321.380 3.867 20 30 DHEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(C#N)cn1 ZINC000302216193 1020531725 /nfs/dbraw/zinc/53/17/25/1020531725.db2.gz IIQIXBFTSSEWMU-SFHVURJKSA-N 1 1 308.429 3.522 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)cc1 ZINC000673890155 1020539957 /nfs/dbraw/zinc/53/99/57/1020539957.db2.gz DKNFOGKCBSBYKM-UHFFFAOYSA-N 1 1 314.454 3.877 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(-c2cncnc2)cc1 ZINC000163018729 1020569795 /nfs/dbraw/zinc/56/97/95/1020569795.db2.gz GCSODJGUWHPCMB-OAHLLOKOSA-N 1 1 314.392 3.866 20 30 DHEDMO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cn1 ZINC000542833759 1020576836 /nfs/dbraw/zinc/57/68/36/1020576836.db2.gz MVHNMRLKOGOMKE-OLZOCXBDSA-N 1 1 300.381 3.887 20 30 DHEDMO Cc1ccc(N=NC2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000734295729 1020581615 /nfs/dbraw/zinc/58/16/15/1020581615.db2.gz IBVBABYPMYSYDA-MRXNPFEDSA-N 1 1 308.429 3.842 20 30 DHEDMO CC[C@H](C)C[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000303475090 1020583350 /nfs/dbraw/zinc/58/33/50/1020583350.db2.gz ONSQIXXJGRZELR-LBPRGKRZSA-N 1 1 307.825 3.518 20 30 DHEDMO CC[N@@H+](C[C@](O)(CC)C(F)(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000929333563 1020600857 /nfs/dbraw/zinc/60/08/57/1020600857.db2.gz PGQLPQOZHUABNP-IUODEOHRSA-N 1 1 314.351 3.645 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000303861674 1020609386 /nfs/dbraw/zinc/60/93/86/1020609386.db2.gz GPONKVFOGPIYJY-LJQANCHMSA-N 1 1 312.457 3.641 20 30 DHEDMO CCc1nccc([C@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000365413928 1020624765 /nfs/dbraw/zinc/62/47/65/1020624765.db2.gz QYECXLYBTVTOKC-QAPCUYQASA-N 1 1 320.440 3.851 20 30 DHEDMO CCC1(CC)C[N@@H+](CCCC2(C#N)CCOCC2)CCS1 ZINC000337182951 1032914936 /nfs/dbraw/zinc/91/49/36/1032914936.db2.gz BOEKFHAIBHIDRW-UHFFFAOYSA-N 1 1 310.507 3.695 20 30 DHEDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000480654739 1020745908 /nfs/dbraw/zinc/74/59/08/1020745908.db2.gz RJFBQBMWCOSKCN-OAHLLOKOSA-N 1 1 307.235 3.941 20 30 DHEDMO C[C@@H]1SCC[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]1C ZINC000735674822 1020762447 /nfs/dbraw/zinc/76/24/47/1020762447.db2.gz WDKIHDUXYRAMCJ-RYUDHWBXSA-N 1 1 310.850 3.568 20 30 DHEDMO C[C@@H]1SCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]1C ZINC000735674822 1020762453 /nfs/dbraw/zinc/76/24/53/1020762453.db2.gz WDKIHDUXYRAMCJ-RYUDHWBXSA-N 1 1 310.850 3.568 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(F)ccc2F)C1 ZINC000661378702 1020795356 /nfs/dbraw/zinc/79/53/56/1020795356.db2.gz KPSNOKPRIIBCSQ-QWHCGFSZSA-N 1 1 308.372 3.580 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(F)ccc2F)C1 ZINC000661378702 1020795362 /nfs/dbraw/zinc/79/53/62/1020795362.db2.gz KPSNOKPRIIBCSQ-QWHCGFSZSA-N 1 1 308.372 3.580 20 30 DHEDMO N#Cc1ccc(C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)nc1 ZINC000580445570 1020839859 /nfs/dbraw/zinc/83/98/59/1020839859.db2.gz KKUWUNJWJGFXJH-FQEVSTJZSA-N 1 1 303.409 3.995 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCCC[C@@H]2[C@H](C)CC)c1=S ZINC000738054950 1020860237 /nfs/dbraw/zinc/86/02/37/1020860237.db2.gz LODJYSBELYWYSF-UKRRQHHQSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCCC[C@@H]2[C@H](C)CC)c1=S ZINC000738054950 1020860243 /nfs/dbraw/zinc/86/02/43/1020860243.db2.gz LODJYSBELYWYSF-UKRRQHHQSA-N 1 1 308.495 3.767 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000829779373 1020909474 /nfs/dbraw/zinc/90/94/74/1020909474.db2.gz SDXSRVQHUBADTL-ZDUSSCGKSA-N 1 1 322.811 3.543 20 30 DHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000739912741 1020922756 /nfs/dbraw/zinc/92/27/56/1020922756.db2.gz SOQZKAFNTBEXQZ-BEFAXECRSA-N 1 1 322.408 3.508 20 30 DHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000739912741 1020922760 /nfs/dbraw/zinc/92/27/60/1020922760.db2.gz SOQZKAFNTBEXQZ-BEFAXECRSA-N 1 1 322.408 3.508 20 30 DHEDMO C=CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000739912247 1020923175 /nfs/dbraw/zinc/92/31/75/1020923175.db2.gz IHNBCWIEYHTUKT-CVEARBPZSA-N 1 1 308.466 3.817 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000739915317 1020924133 /nfs/dbraw/zinc/92/41/33/1020924133.db2.gz YFRQGOUEWZFSLG-UHFFFAOYSA-N 1 1 323.481 3.505 20 30 DHEDMO C#CC[N@H+](CCC=C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000739916487 1020925483 /nfs/dbraw/zinc/92/54/83/1020925483.db2.gz YSGLCUFMBFBVTR-OAHLLOKOSA-N 1 1 320.230 3.784 20 30 DHEDMO CC(C)(CC#N)C[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000414162206 1020949179 /nfs/dbraw/zinc/94/91/79/1020949179.db2.gz GTFNNNGQTGCBOP-QGZVFWFLSA-N 1 1 315.367 3.979 20 30 DHEDMO C[C@@H]1CC(N=Nc2ccnc3cc(Cl)ccc23)CC[N@H+]1C ZINC000741451750 1021011529 /nfs/dbraw/zinc/01/15/29/1021011529.db2.gz NXUMENXNXRUAKA-LLVKDONJSA-N 1 1 302.809 3.770 20 30 DHEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(OCC#N)cc2)cc1 ZINC000264535301 1032953898 /nfs/dbraw/zinc/95/38/98/1032953898.db2.gz FWSHEHZVFUGNKF-OAHLLOKOSA-N 1 1 310.397 3.791 20 30 DHEDMO C#CCC[NH+]1CCN(C(=O)[C@@](C)(CC)CCCCCC)CC1 ZINC000742606925 1021142177 /nfs/dbraw/zinc/14/21/77/1021142177.db2.gz LLVXNBXVXUELBT-IBGZPJMESA-N 1 1 306.494 3.541 20 30 DHEDMO CC(C)[N@@H+](C)CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000742804067 1021166773 /nfs/dbraw/zinc/16/67/73/1021166773.db2.gz IAKCFNWLNJXSOI-IBGZPJMESA-N 1 1 321.424 3.621 20 30 DHEDMO C=CC[N@H+](CC(=O)N(CC)[C@H](C)c1ccc(F)cc1)C(C)C ZINC000917168689 1021205527 /nfs/dbraw/zinc/20/55/27/1021205527.db2.gz WLVVGPPQVWYJNL-OAHLLOKOSA-N 1 1 306.425 3.632 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H]2CCCc3ccccc32)c1 ZINC000917153752 1021208214 /nfs/dbraw/zinc/20/82/14/1021208214.db2.gz GLPDSOGGBQPMHJ-FQEVSTJZSA-N 1 1 318.420 3.616 20 30 DHEDMO CCOc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000154376390 1021247812 /nfs/dbraw/zinc/24/78/12/1021247812.db2.gz JAOQQVSQKWKRQJ-UHFFFAOYSA-N 1 1 309.413 3.763 20 30 DHEDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177370288 1021255967 /nfs/dbraw/zinc/25/59/67/1021255967.db2.gz VHSGLKDHLJLWPZ-LLVKDONJSA-N 1 1 307.463 3.543 20 30 DHEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000091161619 1021269835 /nfs/dbraw/zinc/26/98/35/1021269835.db2.gz APCMCMMJWMJKEN-RDJZCZTQSA-N 1 1 324.827 3.697 20 30 DHEDMO C=CCCC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000091161619 1021269844 /nfs/dbraw/zinc/26/98/44/1021269844.db2.gz APCMCMMJWMJKEN-RDJZCZTQSA-N 1 1 324.827 3.697 20 30 DHEDMO CC(C)[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C1CCCC1 ZINC000068448855 1021324689 /nfs/dbraw/zinc/32/46/89/1021324689.db2.gz RSYAQVFHIYHAPQ-UHFFFAOYSA-N 1 1 313.445 3.586 20 30 DHEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCc2nc(C)sc2C1 ZINC001252130662 1021344235 /nfs/dbraw/zinc/34/42/35/1021344235.db2.gz VXTQRZVZVXEYQJ-OAHLLOKOSA-N 1 1 310.507 3.921 20 30 DHEDMO COC(=O)c1ccc2c(c1)C[N@@H+](CCCCC(C)(C)C#N)C2 ZINC000618280674 1021348152 /nfs/dbraw/zinc/34/81/52/1021348152.db2.gz NUKYABVUZOUJPM-UHFFFAOYSA-N 1 1 300.402 3.509 20 30 DHEDMO COC(=O)c1ccc2c(c1)C[N@H+](CCCCC(C)(C)C#N)C2 ZINC000618280674 1021348167 /nfs/dbraw/zinc/34/81/67/1021348167.db2.gz NUKYABVUZOUJPM-UHFFFAOYSA-N 1 1 300.402 3.509 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000618305177 1021349556 /nfs/dbraw/zinc/34/95/56/1021349556.db2.gz COVGRKZNKUMSGY-QGZVFWFLSA-N 1 1 304.409 3.999 20 30 DHEDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000618324056 1021354966 /nfs/dbraw/zinc/35/49/66/1021354966.db2.gz KQEVTQZVIZCUBL-IBGZPJMESA-N 1 1 300.446 3.615 20 30 DHEDMO C#CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 ZINC000128872729 1021363265 /nfs/dbraw/zinc/36/32/65/1021363265.db2.gz XVXPINZJKYTDIM-UHFFFAOYSA-N 1 1 315.804 3.768 20 30 DHEDMO C#CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 ZINC000128872729 1021363283 /nfs/dbraw/zinc/36/32/83/1021363283.db2.gz XVXPINZJKYTDIM-UHFFFAOYSA-N 1 1 315.804 3.768 20 30 DHEDMO C=C(Cl)C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000743872426 1021397955 /nfs/dbraw/zinc/39/79/55/1021397955.db2.gz WFPOIVBMYUXSHQ-UHFFFAOYSA-N 1 1 304.615 3.729 20 30 DHEDMO C=C(Cl)C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000743872426 1021397972 /nfs/dbraw/zinc/39/79/72/1021397972.db2.gz WFPOIVBMYUXSHQ-UHFFFAOYSA-N 1 1 304.615 3.729 20 30 DHEDMO CCC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000069092167 1021445967 /nfs/dbraw/zinc/44/59/67/1021445967.db2.gz IDCNABOUDBNGBR-GFCCVEGCSA-N 1 1 319.474 3.557 20 30 DHEDMO C=C(C)COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000589552927 1021457605 /nfs/dbraw/zinc/45/76/05/1021457605.db2.gz OBGNOYHGQKAYQY-IBGZPJMESA-N 1 1 324.424 3.883 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000744211285 1021469590 /nfs/dbraw/zinc/46/95/90/1021469590.db2.gz KACUQCIEAMASBK-LJQANCHMSA-N 1 1 317.379 3.729 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cn1)Cc1ccccc1C(F)(F)F ZINC000618903952 1021577534 /nfs/dbraw/zinc/57/75/34/1021577534.db2.gz VXRIMVWLELNWOC-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cn1)Cc1ccccc1C(F)(F)F ZINC000618903952 1021577541 /nfs/dbraw/zinc/57/75/41/1021577541.db2.gz VXRIMVWLELNWOC-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000538147122 1033002367 /nfs/dbraw/zinc/00/23/67/1033002367.db2.gz DYTYWQKLZZDJIR-CABCVRRESA-N 1 1 306.416 3.937 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1F ZINC000538149374 1033001581 /nfs/dbraw/zinc/00/15/81/1033001581.db2.gz XBRYFGXPLCILBW-OAHLLOKOSA-N 1 1 312.363 3.901 20 30 DHEDMO C[C@@H](CC#N)C(=O)OC[C@@]1(C)CCCC[N@H+]1Cc1ccccc1 ZINC000850936761 1021690573 /nfs/dbraw/zinc/69/05/73/1021690573.db2.gz BBEASINOJYZVOF-QFBILLFUSA-N 1 1 314.429 3.524 20 30 DHEDMO CCCCCCCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000745342776 1021701361 /nfs/dbraw/zinc/70/13/61/1021701361.db2.gz KUXLWHABEUQVSH-SJORKVTESA-N 1 1 309.498 3.615 20 30 DHEDMO C=C(Cl)C[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000763435209 1021737320 /nfs/dbraw/zinc/73/73/20/1021737320.db2.gz QTORPPUDFUQWKC-AWEZNQCLSA-N 1 1 316.228 3.740 20 30 DHEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173190496 1021751197 /nfs/dbraw/zinc/75/11/97/1021751197.db2.gz BCWFBIQWDTYGQV-BBRMVZONSA-N 1 1 310.401 3.619 20 30 DHEDMO C[C@H](CC(C)(C)C#N)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000851207225 1021779793 /nfs/dbraw/zinc/77/97/93/1021779793.db2.gz ATHCFRZOXCLVAH-NVXWUHKLSA-N 1 1 314.429 3.523 20 30 DHEDMO C[C@H](CC(C)(C)C#N)OC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000851207225 1021779811 /nfs/dbraw/zinc/77/98/11/1021779811.db2.gz ATHCFRZOXCLVAH-NVXWUHKLSA-N 1 1 314.429 3.523 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCC(=O)Nc2ccccc2)C2CC2)cc1 ZINC000194961547 1021826327 /nfs/dbraw/zinc/82/63/27/1021826327.db2.gz XMVCXABOLSTYRR-UHFFFAOYSA-N 1 1 319.408 3.551 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001127520408 1021896878 /nfs/dbraw/zinc/89/68/78/1021896878.db2.gz RNJAAYDXOGVHRL-CJNGLKHVSA-N 1 1 308.853 3.804 20 30 DHEDMO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(Br)cc2C#N)C1 ZINC000311142712 1021908797 /nfs/dbraw/zinc/90/87/97/1021908797.db2.gz LNDRNJKXMWVPSG-VXGBXAGGSA-N 1 1 307.235 3.799 20 30 DHEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(C#N)cc1 ZINC000110033235 1021914081 /nfs/dbraw/zinc/91/40/81/1021914081.db2.gz KAWSCSKTGOIFIY-GUXCAODWSA-N 1 1 306.409 3.909 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)c(-c2cnn(C)c2)c1 ZINC000619845291 1021918768 /nfs/dbraw/zinc/91/87/68/1021918768.db2.gz KTLLXHDYUSIAHQ-LJQANCHMSA-N 1 1 308.429 3.521 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)c(-c2cnn(C)c2)c1 ZINC000619845291 1021918786 /nfs/dbraw/zinc/91/87/86/1021918786.db2.gz KTLLXHDYUSIAHQ-LJQANCHMSA-N 1 1 308.429 3.521 20 30 DHEDMO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000153195458 1022009762 /nfs/dbraw/zinc/00/97/62/1022009762.db2.gz VLZCDSSIOFFYOY-QFBILLFUSA-N 1 1 312.457 3.534 20 30 DHEDMO CC[C@@H](CC(F)F)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000851880513 1022026674 /nfs/dbraw/zinc/02/66/74/1022026674.db2.gz BFAUMRPTMCXPBQ-XJKSGUPXSA-N 1 1 308.372 3.613 20 30 DHEDMO CC[C@@H](CC(F)F)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000851880513 1022026689 /nfs/dbraw/zinc/02/66/89/1022026689.db2.gz BFAUMRPTMCXPBQ-XJKSGUPXSA-N 1 1 308.372 3.613 20 30 DHEDMO CC[C@H]([NH2+]Cc1ccc(OC)cc1F)c1cccc(C#N)c1O ZINC000925514529 1022055567 /nfs/dbraw/zinc/05/55/67/1022055567.db2.gz AABQTNACQBWYNT-KRWDZBQOSA-N 1 1 314.360 3.652 20 30 DHEDMO C[N@@H+](CCc1cccc(NCc2cccc(C#N)c2)c1)C1CC1 ZINC000341271705 1022070948 /nfs/dbraw/zinc/07/09/48/1022070948.db2.gz AJPJBEUDXRKLTE-UHFFFAOYSA-N 1 1 305.425 3.807 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000159053765 1022077831 /nfs/dbraw/zinc/07/78/31/1022077831.db2.gz OORBHXQNGRDCGL-UHFFFAOYSA-N 1 1 310.372 3.815 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000159053765 1022077844 /nfs/dbraw/zinc/07/78/44/1022077844.db2.gz OORBHXQNGRDCGL-UHFFFAOYSA-N 1 1 310.372 3.815 20 30 DHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000776581819 1022101189 /nfs/dbraw/zinc/10/11/89/1022101189.db2.gz MOZPBDAWXBLONK-CABCVRRESA-N 1 1 323.481 3.694 20 30 DHEDMO Cc1ccc2c(C[N@H+]3CCC[C@@H](CC#N)C3)cc(=O)oc2c1C ZINC000852320047 1022104628 /nfs/dbraw/zinc/10/46/28/1022104628.db2.gz VBICDBMZNIPJPH-HNNXBMFYSA-N 1 1 310.397 3.536 20 30 DHEDMO CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331289 1022107535 /nfs/dbraw/zinc/10/75/35/1022107535.db2.gz KOFQJFWNNKAKSR-YOEHRIQHSA-N 1 1 307.388 3.620 20 30 DHEDMO CC[C@@H](CC(F)F)C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331289 1022107540 /nfs/dbraw/zinc/10/75/40/1022107540.db2.gz KOFQJFWNNKAKSR-YOEHRIQHSA-N 1 1 307.388 3.620 20 30 DHEDMO Cc1ccc(CCC[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc1 ZINC000852332462 1022111079 /nfs/dbraw/zinc/11/10/79/1022111079.db2.gz RVACOPCOIUCGKD-NRFANRHFSA-N 1 1 319.452 3.880 20 30 DHEDMO Cc1ccc(CCC[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc1 ZINC000852332462 1022111094 /nfs/dbraw/zinc/11/10/94/1022111094.db2.gz RVACOPCOIUCGKD-NRFANRHFSA-N 1 1 319.452 3.880 20 30 DHEDMO N#Cc1c(C[NH+]2CCC(OC3CCCC3)CC2)cn2ccccc12 ZINC000195323462 1022113354 /nfs/dbraw/zinc/11/33/54/1022113354.db2.gz NXFXSNVNYIIPNE-UHFFFAOYSA-N 1 1 323.440 3.735 20 30 DHEDMO C#CCC[N@H+](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000920416187 1022117068 /nfs/dbraw/zinc/11/70/68/1022117068.db2.gz UFFCWZKHOPZYCV-UHFFFAOYSA-N 1 1 309.409 3.729 20 30 DHEDMO Cc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)c(-c2cnn(C)c2)c1 ZINC000338947498 1022140448 /nfs/dbraw/zinc/14/04/48/1022140448.db2.gz QNUQMZFWCJZDIG-OAHLLOKOSA-N 1 1 308.429 3.520 20 30 DHEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc2c(c1)CCCO2 ZINC000852779433 1022174015 /nfs/dbraw/zinc/17/40/15/1022174015.db2.gz CCZXMOHBUCCIBK-ZDUSSCGKSA-N 1 1 310.372 3.873 20 30 DHEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc2c(c1)CCCO2 ZINC000852779432 1022174692 /nfs/dbraw/zinc/17/46/92/1022174692.db2.gz CCZXMOHBUCCIBK-CYBMUJFWSA-N 1 1 310.372 3.873 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc2c(c1)CCCO2 ZINC000852780061 1022176979 /nfs/dbraw/zinc/17/69/79/1022176979.db2.gz DXFAZKLGYLELTF-CYBMUJFWSA-N 1 1 310.372 3.873 20 30 DHEDMO N#Cc1c(C[N@@H+]2CCCc3sccc3C2)cn2ccccc12 ZINC000609322695 1022200595 /nfs/dbraw/zinc/20/05/95/1022200595.db2.gz JABBCQUUXCNHTH-UHFFFAOYSA-N 1 1 307.422 3.821 20 30 DHEDMO N#Cc1c(C[N@H+]2CCCc3sccc3C2)cn2ccccc12 ZINC000609322695 1022200600 /nfs/dbraw/zinc/20/06/00/1022200600.db2.gz JABBCQUUXCNHTH-UHFFFAOYSA-N 1 1 307.422 3.821 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000538328471 1033036170 /nfs/dbraw/zinc/03/61/70/1033036170.db2.gz YZWVKXUCGSPIQR-BBRMVZONSA-N 1 1 308.853 3.804 20 30 DHEDMO C[C@H]1C[C@H](CNCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000120247317 1022253698 /nfs/dbraw/zinc/25/36/98/1022253698.db2.gz GQJPKVMGEGKTQF-LAUBAEHRSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@H]1C[C@H](CNCc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000120247317 1022253705 /nfs/dbraw/zinc/25/37/05/1022253705.db2.gz GQJPKVMGEGKTQF-LAUBAEHRSA-N 1 1 319.452 3.558 20 30 DHEDMO C[N@H+]1CCCC(N=Nc2nc3ccc(Cl)cc3s2)CC1 ZINC000853438829 1022273613 /nfs/dbraw/zinc/27/36/13/1022273613.db2.gz PGLGNHJFADVAEX-UHFFFAOYSA-N 1 1 308.838 3.833 20 30 DHEDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H](CC#N)C3)c2c1 ZINC000853525604 1022287073 /nfs/dbraw/zinc/28/70/73/1022287073.db2.gz GYUIJHNPLWHVGN-CQSZACIVSA-N 1 1 310.397 3.680 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000853598764 1022295994 /nfs/dbraw/zinc/29/59/94/1022295994.db2.gz WJNROHMUVVPKNS-IXDOHACOSA-N 1 1 316.832 3.754 20 30 DHEDMO C[C@]1(C#N)CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000853599017 1022297523 /nfs/dbraw/zinc/29/75/23/1022297523.db2.gz IUUJRSPGKVJPTI-LJQANCHMSA-N 1 1 310.397 3.753 20 30 DHEDMO CC[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000609625651 1022317169 /nfs/dbraw/zinc/31/71/69/1022317169.db2.gz ISIFUFFKBHDATR-LJQANCHMSA-N 1 1 319.408 3.506 20 30 DHEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000609625651 1022317183 /nfs/dbraw/zinc/31/71/83/1022317183.db2.gz ISIFUFFKBHDATR-LJQANCHMSA-N 1 1 319.408 3.506 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000609800790 1022353943 /nfs/dbraw/zinc/35/39/43/1022353943.db2.gz TWBYVQCINLDEMO-SFHVURJKSA-N 1 1 312.413 3.987 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000609800790 1022353960 /nfs/dbraw/zinc/35/39/60/1022353960.db2.gz TWBYVQCINLDEMO-SFHVURJKSA-N 1 1 312.413 3.987 20 30 DHEDMO N#Cc1ccc(OCC[N@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000609800580 1022354340 /nfs/dbraw/zinc/35/43/40/1022354340.db2.gz OLXSWCLHZMPJOO-IBGZPJMESA-N 1 1 324.449 3.727 20 30 DHEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC001169329899 1022359939 /nfs/dbraw/zinc/35/99/39/1022359939.db2.gz AUUGULIYQWEJHQ-SJLPKXTDSA-N 1 1 313.445 3.787 20 30 DHEDMO Cc1nccc([C@@H]2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000609822911 1022360802 /nfs/dbraw/zinc/36/08/02/1022360802.db2.gz RAKUPVSHQAZGOE-KBXCAEBGSA-N 1 1 306.413 3.597 20 30 DHEDMO CC#CCC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000155314782 1022393374 /nfs/dbraw/zinc/39/33/74/1022393374.db2.gz XJZFTGUHDVUZHF-UHFFFAOYSA-N 1 1 313.420 3.504 20 30 DHEDMO CC1(C)C[N@H+](Cc2ccc(OCC#N)cc2)[C@H]1c1ccncc1 ZINC000854044193 1022398022 /nfs/dbraw/zinc/39/80/22/1022398022.db2.gz YNULOONRHDZEOD-SFHVURJKSA-N 1 1 307.397 3.567 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)[C@H]1c1ccncc1 ZINC000854044193 1022398034 /nfs/dbraw/zinc/39/80/34/1022398034.db2.gz YNULOONRHDZEOD-SFHVURJKSA-N 1 1 307.397 3.567 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H](C)c2cnccn2)cc1 ZINC001169534328 1022440397 /nfs/dbraw/zinc/44/03/97/1022440397.db2.gz UJRJHNHUWCSUCO-HNAYVOBHSA-N 1 1 308.429 3.973 20 30 DHEDMO Cc1cc(C#N)ccc1CO[NH+]=C(N)CCCc1ccccc1 ZINC000776745923 1022486724 /nfs/dbraw/zinc/48/67/24/1022486724.db2.gz LYYQDPLFABTNLY-UHFFFAOYSA-N 1 1 307.397 3.888 20 30 DHEDMO CCCCCCCC[C@@H](C)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000854605030 1022501390 /nfs/dbraw/zinc/50/13/90/1022501390.db2.gz GQWZVECMESBUNJ-MJGOQNOKSA-N 1 1 308.510 3.927 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)OCC)CC1 ZINC001169707309 1022512425 /nfs/dbraw/zinc/51/24/25/1022512425.db2.gz PUWSHBQHGUTULJ-GOSISDBHSA-N 1 1 316.445 3.686 20 30 DHEDMO C=CC[N@@H+](C1CCCCC1)[C@H]1CCCN(C(=O)OCC)CC1 ZINC001169712176 1022515251 /nfs/dbraw/zinc/51/52/51/1022515251.db2.gz XXQYGCXOIQBGNC-KRWDZBQOSA-N 1 1 308.466 3.818 20 30 DHEDMO N#Cc1cc(Cl)cc(C[NH+]2CCC(OC3CCC3)CC2)c1 ZINC000930742187 1022595219 /nfs/dbraw/zinc/59/52/19/1022595219.db2.gz JGJPVSFGEWBVHL-UHFFFAOYSA-N 1 1 304.821 3.745 20 30 DHEDMO C#CCCC[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000766902009 1022612503 /nfs/dbraw/zinc/61/25/03/1022612503.db2.gz CMJZOMWOGZLCHH-UHFFFAOYSA-N 1 1 306.247 3.826 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616133127 1022643506 /nfs/dbraw/zinc/64/35/06/1022643506.db2.gz YWTJDIDEHWIDIS-HZPDHXFCSA-N 1 1 323.415 3.969 20 30 DHEDMO CC[N@H+](CCC#N)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000081039989 1022651494 /nfs/dbraw/zinc/65/14/94/1022651494.db2.gz OQBOLROJZMWDQI-UHFFFAOYSA-N 1 1 314.216 3.558 20 30 DHEDMO CC[N@@H+](CCC#N)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000081039989 1022651501 /nfs/dbraw/zinc/65/15/01/1022651501.db2.gz OQBOLROJZMWDQI-UHFFFAOYSA-N 1 1 314.216 3.558 20 30 DHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cn2)C12CCCCC2 ZINC000584756940 1022709394 /nfs/dbraw/zinc/70/93/94/1022709394.db2.gz DVKYPZNFWCIXKS-QZTJIDSGSA-N 1 1 313.445 3.513 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001172306914 1033075575 /nfs/dbraw/zinc/07/55/75/1033075575.db2.gz LSMCXJOQXOPZNF-JXFKEZNVSA-N 1 1 305.425 3.591 20 30 DHEDMO Cc1cc(C)c2c(c1)C[N@H+](Cc1ccc(OCC#N)cc1)CC2 ZINC000776857661 1022734484 /nfs/dbraw/zinc/73/44/84/1022734484.db2.gz UQIGUCJOZRIFSG-UHFFFAOYSA-N 1 1 306.409 3.764 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)CC/C=C/c1cccnc1 ZINC001172311095 1033078483 /nfs/dbraw/zinc/07/84/83/1033078483.db2.gz OQFHYZQJIZRIKE-ZNNBYXKUSA-N 1 1 305.425 3.920 20 30 DHEDMO C[N@H+](CCC#N)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000068831600 1022767550 /nfs/dbraw/zinc/76/75/50/1022767550.db2.gz AMFYFCGDGSSPEP-UHFFFAOYSA-N 1 1 314.408 3.774 20 30 DHEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CCCCC1 ZINC000617004233 1022814800 /nfs/dbraw/zinc/81/48/00/1022814800.db2.gz NJNARJXCXCIBLE-INIZCTEOSA-N 1 1 306.494 3.750 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCN(C)Cc1ccccc1 ZINC001172313416 1033082693 /nfs/dbraw/zinc/08/26/93/1033082693.db2.gz WONRUBURMXEYNV-GOSISDBHSA-N 1 1 321.468 3.553 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)N(C)CC[N@H+](C)Cc1ccccc1 ZINC001172313416 1033082703 /nfs/dbraw/zinc/08/27/03/1033082703.db2.gz WONRUBURMXEYNV-GOSISDBHSA-N 1 1 321.468 3.553 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)N(C)CC[N@@H+](C)Cc1ccccc1 ZINC001172313416 1033082715 /nfs/dbraw/zinc/08/27/15/1033082715.db2.gz WONRUBURMXEYNV-GOSISDBHSA-N 1 1 321.468 3.553 20 30 DHEDMO COc1ccc(CC[N@@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172321091 1033084873 /nfs/dbraw/zinc/08/48/73/1033084873.db2.gz YOAAYKIYMPTBGF-INIZCTEOSA-N 1 1 308.425 3.672 20 30 DHEDMO CC[C@H](C)c1nc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000617097574 1022845104 /nfs/dbraw/zinc/84/51/04/1022845104.db2.gz LZQRARQEVIKURL-GDZNZVCISA-N 1 1 323.444 3.918 20 30 DHEDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)[nH]1 ZINC000617097574 1022845114 /nfs/dbraw/zinc/84/51/14/1022845114.db2.gz LZQRARQEVIKURL-GDZNZVCISA-N 1 1 323.444 3.918 20 30 DHEDMO C=CCc1cc(C[N@H+](CCC#N)CC(C)C)cc(OC)c1O ZINC000768153352 1022904515 /nfs/dbraw/zinc/90/45/15/1022904515.db2.gz DQYFMJDSSVGNGO-UHFFFAOYSA-N 1 1 302.418 3.501 20 30 DHEDMO C=CCc1cc(C[N@@H+](CCC#N)CC(C)C)cc(OC)c1O ZINC000768153352 1022904522 /nfs/dbraw/zinc/90/45/22/1022904522.db2.gz DQYFMJDSSVGNGO-UHFFFAOYSA-N 1 1 302.418 3.501 20 30 DHEDMO COc1ccc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)cc1C#N ZINC000181011233 1022910887 /nfs/dbraw/zinc/91/08/87/1022910887.db2.gz SCLFXJFFGUOAGW-UHFFFAOYSA-N 1 1 320.314 3.616 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)cc1C#N ZINC000181011233 1022910894 /nfs/dbraw/zinc/91/08/94/1022910894.db2.gz SCLFXJFFGUOAGW-UHFFFAOYSA-N 1 1 320.314 3.616 20 30 DHEDMO C#CCOc1ccc(C[N@H+](C)[C@H](C)c2ccc(OC)cc2)cc1 ZINC000768237377 1022932498 /nfs/dbraw/zinc/93/24/98/1022932498.db2.gz MGQNBEVZYITJOM-MRXNPFEDSA-N 1 1 309.409 3.900 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857170404 1022960851 /nfs/dbraw/zinc/96/08/51/1022960851.db2.gz OTEPXINDRKOILB-VQIMIIECSA-N 1 1 314.473 3.970 20 30 DHEDMO Cc1ncccc1OC[C@H]1CCC[N@H+]1CC(C)(C)CCC#N ZINC000418145500 1022975876 /nfs/dbraw/zinc/97/58/76/1022975876.db2.gz YGGSGKDGAUCHAA-MRXNPFEDSA-N 1 1 301.434 3.563 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OCC)cc1O ZINC000769105697 1023083937 /nfs/dbraw/zinc/08/39/37/1023083937.db2.gz OIFVFISCUGUGRZ-UHFFFAOYSA-N 1 1 322.408 3.851 20 30 DHEDMO C#CCOc1ccccc1C[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000769106634 1023085539 /nfs/dbraw/zinc/08/55/39/1023085539.db2.gz RXTPEBRJVZAIGW-LAUBAEHRSA-N 1 1 321.420 3.661 20 30 DHEDMO C#CCOc1ccccc1C[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000769106634 1023085549 /nfs/dbraw/zinc/08/55/49/1023085549.db2.gz RXTPEBRJVZAIGW-LAUBAEHRSA-N 1 1 321.420 3.661 20 30 DHEDMO C#CC[N@H+](CC)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000769106744 1023085568 /nfs/dbraw/zinc/08/55/68/1023085568.db2.gz SKPUXYILPKTUIV-UHFFFAOYSA-N 1 1 308.425 3.733 20 30 DHEDMO C#CC[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccc(F)cc1 ZINC000769145599 1023089453 /nfs/dbraw/zinc/08/94/53/1023089453.db2.gz IMQFQHBKDCUSKX-UHFFFAOYSA-N 1 1 319.383 3.851 20 30 DHEDMO C#CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccc(F)cc1 ZINC000769145599 1023089463 /nfs/dbraw/zinc/08/94/63/1023089463.db2.gz IMQFQHBKDCUSKX-UHFFFAOYSA-N 1 1 319.383 3.851 20 30 DHEDMO Cc1cccc(C2=CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000092821907 1023115175 /nfs/dbraw/zinc/11/51/75/1023115175.db2.gz SARPWZJXOCVHAO-OAQYLSRUSA-N 1 1 318.420 3.689 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCc3ccccc3C2)cc1 ZINC000769333130 1023125472 /nfs/dbraw/zinc/12/54/72/1023125472.db2.gz PRCWULJATOJKRE-UHFFFAOYSA-N 1 1 319.452 3.985 20 30 DHEDMO Cc1cccc2c1CC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C2 ZINC000769337510 1023129297 /nfs/dbraw/zinc/12/92/97/1023129297.db2.gz FLSBFGPSXCMRGU-INIZCTEOSA-N 1 1 306.409 3.844 20 30 DHEDMO C=C1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769337664 1023129356 /nfs/dbraw/zinc/12/93/56/1023129356.db2.gz HDGOZLCQLFNMQD-UHFFFAOYSA-N 1 1 315.417 3.737 20 30 DHEDMO C#CC[N@H+](Cc1c(C(C)C)nc2sc(C)nn12)C1CCCC1 ZINC000769531015 1023173331 /nfs/dbraw/zinc/17/33/31/1023173331.db2.gz QFVAKVZLXSIMFS-UHFFFAOYSA-N 1 1 316.474 3.600 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000769846915 1023227089 /nfs/dbraw/zinc/22/70/89/1023227089.db2.gz RGMBAOVBYBPULD-MISXGVKJSA-N 1 1 316.792 3.733 20 30 DHEDMO N#Cc1cc(C[NH+]2CCC(c3cccc(F)c3F)CC2)ccn1 ZINC000613750284 1023276319 /nfs/dbraw/zinc/27/63/19/1023276319.db2.gz PTMWBHRDELTSBV-UHFFFAOYSA-N 1 1 313.351 3.611 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H]3C[C@@H]3c3ccccc3)CCO2)c1 ZINC000770390912 1023304401 /nfs/dbraw/zinc/30/44/01/1023304401.db2.gz MLCJIVMQDUYXKK-NJYVYQBISA-N 1 1 318.420 3.735 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000198402987 1023351480 /nfs/dbraw/zinc/35/14/80/1023351480.db2.gz PJIUWGNCWQEPBY-KRWDZBQOSA-N 1 1 321.424 3.626 20 30 DHEDMO CC(C)C[N@@H+](C[C@H](C)CCC#N)C[C@@H](O)c1ccc(F)cc1 ZINC000876746134 1033132352 /nfs/dbraw/zinc/13/23/52/1033132352.db2.gz TVBULWABKCECJM-CRAIPNDOSA-N 1 1 306.425 3.757 20 30 DHEDMO C#CCCOc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000771935353 1023489297 /nfs/dbraw/zinc/48/92/97/1023489297.db2.gz PHRAYYXNKDUSCU-UHFFFAOYSA-N 1 1 322.452 3.787 20 30 DHEDMO N#CC1(C[NH2+]Cc2cc(F)cc(Br)c2)CCCC1 ZINC000593654741 1023529898 /nfs/dbraw/zinc/52/98/98/1023529898.db2.gz MEPQZELLYQZHHN-UHFFFAOYSA-N 1 1 311.198 3.762 20 30 DHEDMO CCCCCCC[C@H](CC)[N@H+]1Cc2ccnn2CC[C@H]1CO ZINC001172362480 1033142149 /nfs/dbraw/zinc/14/21/49/1033142149.db2.gz ZBKKVBHTRKJJIR-WMZOPIPTSA-N 1 1 307.482 3.589 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc([C@@H](C)OCC(C)C)no2)C1 ZINC000661380751 1023581470 /nfs/dbraw/zinc/58/14/70/1023581470.db2.gz OYWPKRVIQADGGM-CABCVRRESA-N 1 1 307.438 3.591 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2nc([C@@H](C)OCC(C)C)no2)C1 ZINC000661380751 1023581477 /nfs/dbraw/zinc/58/14/77/1023581477.db2.gz OYWPKRVIQADGGM-CABCVRRESA-N 1 1 307.438 3.591 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000661379090 1023582604 /nfs/dbraw/zinc/58/26/04/1023582604.db2.gz SPXYLQGLNNCBSP-CYBMUJFWSA-N 1 1 322.836 3.575 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(F)cccc2F)C1 ZINC000661378498 1023584616 /nfs/dbraw/zinc/58/46/16/1023584616.db2.gz HPKVRPBUVZFJQK-QWHCGFSZSA-N 1 1 308.372 3.580 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(F)cccc2F)C1 ZINC000661378498 1023584623 /nfs/dbraw/zinc/58/46/23/1023584623.db2.gz HPKVRPBUVZFJQK-QWHCGFSZSA-N 1 1 308.372 3.580 20 30 DHEDMO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000785756904 1023614445 /nfs/dbraw/zinc/61/44/45/1023614445.db2.gz OVPBAUCIOKCZKN-HZPDHXFCSA-N 1 1 310.482 3.968 20 30 DHEDMO C[C@@H]1CC(=NOCc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000746588961 1023702350 /nfs/dbraw/zinc/70/23/50/1023702350.db2.gz VQJFXZQNSQYIGS-MRXNPFEDSA-N 1 1 309.413 3.639 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)C(C)(C)C ZINC000661757050 1023732474 /nfs/dbraw/zinc/73/24/74/1023732474.db2.gz CFUIHDISLUNQCW-UHFFFAOYSA-N 1 1 304.825 3.707 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000787770778 1023820515 /nfs/dbraw/zinc/82/05/15/1023820515.db2.gz HXQDAKPHKZSLFA-HXUWFJFHSA-N 1 1 303.405 3.905 20 30 DHEDMO C#Cc1ccc(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000787779291 1023821360 /nfs/dbraw/zinc/82/13/60/1023821360.db2.gz XRHCCQQNFRTIDL-INIZCTEOSA-N 1 1 310.466 3.608 20 30 DHEDMO C#Cc1ccc(C[NH+]2CCN([C@@H](C)c3ccsc3)CC2)cc1 ZINC000787779291 1023821365 /nfs/dbraw/zinc/82/13/65/1023821365.db2.gz XRHCCQQNFRTIDL-INIZCTEOSA-N 1 1 310.466 3.608 20 30 DHEDMO O=C1CCCC12CC[NH+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000661956256 1023825143 /nfs/dbraw/zinc/82/51/43/1023825143.db2.gz WYWRAKWRFOCPOD-UHFFFAOYSA-N 1 1 301.817 3.527 20 30 DHEDMO Clc1cccc(C#CC[NH+]2CCC(c3ccon3)CC2)c1 ZINC000662047633 1023870750 /nfs/dbraw/zinc/87/07/50/1023870750.db2.gz HQRISBPYUIBPFM-UHFFFAOYSA-N 1 1 300.789 3.559 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788467871 1023888158 /nfs/dbraw/zinc/88/81/58/1023888158.db2.gz ARHYXHBKIYMYHF-UHFFFAOYSA-N 1 1 300.333 3.922 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788467871 1023888163 /nfs/dbraw/zinc/88/81/63/1023888163.db2.gz ARHYXHBKIYMYHF-UHFFFAOYSA-N 1 1 300.333 3.922 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1nc(-c2ccccc2)no1 ZINC000662079605 1023890191 /nfs/dbraw/zinc/89/01/91/1023890191.db2.gz HSILLRWTXRDQSP-CALCHBBNSA-N 1 1 309.413 3.852 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000662084637 1023890544 /nfs/dbraw/zinc/89/05/44/1023890544.db2.gz UCDACBAFFIJOKP-JKIFEVAISA-N 1 1 316.832 3.628 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000662085369 1023892320 /nfs/dbraw/zinc/89/23/20/1023892320.db2.gz FVDHIHNBHVNCRU-BNOWGMLFSA-N 1 1 322.811 3.989 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000662085369 1023892323 /nfs/dbraw/zinc/89/23/23/1023892323.db2.gz FVDHIHNBHVNCRU-BNOWGMLFSA-N 1 1 322.811 3.989 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccc(OCC)cc1 ZINC000662087750 1023894970 /nfs/dbraw/zinc/89/49/70/1023894970.db2.gz JTMSBWQHEFHYIY-CALCHBBNSA-N 1 1 314.429 3.597 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)NCc1ccccc1Cl ZINC000662082213 1023895220 /nfs/dbraw/zinc/89/52/20/1023895220.db2.gz ZLLZTSJGRCITDX-IYBDPMFKSA-N 1 1 318.848 3.529 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cccc(F)c1C ZINC000662088095 1023896991 /nfs/dbraw/zinc/89/69/91/1023896991.db2.gz VYSBDVSJOCHPTF-GASCZTMLSA-N 1 1 302.393 3.646 20 30 DHEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075837616 1023956052 /nfs/dbraw/zinc/95/60/52/1023956052.db2.gz LXMLICMIDDSTTH-UNEWFSDZSA-N 1 1 322.412 3.761 20 30 DHEDMO C[C@H](C#N)C[N@H+](C)[C@H]1CCCc2ccc(Br)cc21 ZINC000538781091 1033176700 /nfs/dbraw/zinc/17/67/00/1033176700.db2.gz HGLOROHLWDVAAV-ABAIWWIYSA-N 1 1 307.235 3.918 20 30 DHEDMO C[C@H](C#N)C[N@@H+](C)[C@H]1CCCc2ccc(Br)cc21 ZINC000538781091 1033176706 /nfs/dbraw/zinc/17/67/06/1033176706.db2.gz HGLOROHLWDVAAV-ABAIWWIYSA-N 1 1 307.235 3.918 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000876885347 1033176758 /nfs/dbraw/zinc/17/67/58/1033176758.db2.gz NNPGIIIARPFEER-CQSZACIVSA-N 1 1 315.829 3.933 20 30 DHEDMO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]CC(C)(C)C#N ZINC000893552431 1023993877 /nfs/dbraw/zinc/99/38/77/1023993877.db2.gz UFLKXFXDLJDYOC-UHFFFAOYSA-N 1 1 309.435 3.734 20 30 DHEDMO COc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1F ZINC000876900957 1033179452 /nfs/dbraw/zinc/17/94/52/1033179452.db2.gz VMDYFCQGHIZPRN-SNVBAGLBSA-N 1 1 319.767 3.605 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@H]2CC(C)C)c1=S ZINC000129623577 1024029695 /nfs/dbraw/zinc/02/96/95/1024029695.db2.gz BVQPGFQCVYMNLY-HNNXBMFYSA-N 1 1 320.506 3.945 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@H]2CC(C)C)c1=S ZINC000129623577 1024029709 /nfs/dbraw/zinc/02/97/09/1024029709.db2.gz BVQPGFQCVYMNLY-HNNXBMFYSA-N 1 1 320.506 3.945 20 30 DHEDMO CCCC[N@@H+](CC(=O)Nc1ccccc1SCC#N)C1CC1 ZINC000266685826 1024040807 /nfs/dbraw/zinc/04/08/07/1024040807.db2.gz UIZDUVPBQYOZQH-UHFFFAOYSA-N 1 1 317.458 3.505 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000266938945 1024045831 /nfs/dbraw/zinc/04/58/31/1024045831.db2.gz PAJDMSVKKFPAIE-SFHVURJKSA-N 1 1 300.446 3.688 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)[C@H](C)c2cccc(Cl)c2)n1 ZINC000789332794 1024053873 /nfs/dbraw/zinc/05/38/73/1024053873.db2.gz XCOUPKKZZVWIEM-CQSZACIVSA-N 1 1 301.821 3.753 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)[C@H](C)c2cccc(Cl)c2)n1 ZINC000789332794 1024053891 /nfs/dbraw/zinc/05/38/91/1024053891.db2.gz XCOUPKKZZVWIEM-CQSZACIVSA-N 1 1 301.821 3.753 20 30 DHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1 ZINC000267946132 1024062395 /nfs/dbraw/zinc/06/23/95/1024062395.db2.gz AXOJTOVUKQCKDC-KRWDZBQOSA-N 1 1 315.461 3.587 20 30 DHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@H](CC)CC(C)C)CCO2 ZINC001172397164 1033181076 /nfs/dbraw/zinc/18/10/76/1033181076.db2.gz JMPMHXDXADBJRQ-GUDVDZBRSA-N 1 1 309.494 3.885 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000268586110 1024129981 /nfs/dbraw/zinc/12/99/81/1024129981.db2.gz DQWJWOSAOFYKTM-RBUKOAKNSA-N 1 1 310.372 3.568 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000268586112 1024130570 /nfs/dbraw/zinc/13/05/70/1024130570.db2.gz DQWJWOSAOFYKTM-RTBURBONSA-N 1 1 310.372 3.568 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCCC[C@H]2c2ccco2)cc1 ZINC000268649583 1024138004 /nfs/dbraw/zinc/13/80/04/1024138004.db2.gz GHJMFFJVGYMKHB-ZWKOTPCHSA-N 1 1 310.397 3.802 20 30 DHEDMO CC(C)[N@H+](Cc1ccccc1F)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268667036 1024141538 /nfs/dbraw/zinc/14/15/38/1024141538.db2.gz JMCSQDPGJUTCRX-LJQANCHMSA-N 1 1 312.388 3.641 20 30 DHEDMO C[C@H](C(=O)Nc1ccc(CC#N)cc1Cl)[NH+]1CCCCCC1 ZINC000452644655 1024151891 /nfs/dbraw/zinc/15/18/91/1024151891.db2.gz LTGIDAUROSFRIX-CYBMUJFWSA-N 1 1 319.836 3.609 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000268975214 1024209104 /nfs/dbraw/zinc/20/91/04/1024209104.db2.gz NFRUYXBHOULRTB-UHFFFAOYSA-N 1 1 312.457 3.880 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CSCc3ccccc32)c1 ZINC000876974556 1033196694 /nfs/dbraw/zinc/19/66/94/1033196694.db2.gz KWSZDEHWGMPMSK-HNNXBMFYSA-N 1 1 315.829 3.684 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc(F)cc(F)c1O ZINC000883147026 1024258720 /nfs/dbraw/zinc/25/87/20/1024258720.db2.gz IGHNBLLLRKXQBL-KRWDZBQOSA-N 1 1 314.335 3.709 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000131144745 1024265398 /nfs/dbraw/zinc/26/53/98/1024265398.db2.gz LGQUEMWDOFRYAR-LBPRGKRZSA-N 1 1 313.426 3.601 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)c(F)c1 ZINC000269396650 1024274545 /nfs/dbraw/zinc/27/45/45/1024274545.db2.gz FCKIYLAORMNHRS-RTBURBONSA-N 1 1 310.372 3.707 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cnccc1C#N ZINC000094136698 1024314035 /nfs/dbraw/zinc/31/40/35/1024314035.db2.gz JIGNPHXFEHHXLZ-MRXNPFEDSA-N 1 1 320.440 3.940 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccccc1C#N ZINC000270050163 1024343918 /nfs/dbraw/zinc/34/39/18/1024343918.db2.gz DXQLQELHTWVWJS-LAUBAEHRSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccccc1C#N ZINC000270050165 1024345247 /nfs/dbraw/zinc/34/52/47/1024345247.db2.gz DXQLQELHTWVWJS-UTKZUKDTSA-N 1 1 319.452 3.558 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@@H+](CC)CCC(F)(F)F)c1O ZINC000754730610 1024358100 /nfs/dbraw/zinc/35/81/00/1024358100.db2.gz UBRNUAAMFIRLFP-UHFFFAOYSA-N 1 1 317.351 3.904 20 30 DHEDMO C[NH+](C)Cc1cnc(CNc2ccc(C3CC3)c(C#N)c2)s1 ZINC000883337466 1024388019 /nfs/dbraw/zinc/38/80/19/1024388019.db2.gz GURKQUCHIFMMOD-UHFFFAOYSA-N 1 1 312.442 3.566 20 30 DHEDMO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000883391072 1024424707 /nfs/dbraw/zinc/42/47/07/1024424707.db2.gz BGHVVODDHUSZJZ-ZJUUUORDSA-N 1 1 304.217 3.677 20 30 DHEDMO CC[N@@H+](Cc1cnc(N(C)C)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000271083166 1024455453 /nfs/dbraw/zinc/45/54/53/1024455453.db2.gz JSBUFZWZLACGBZ-CYBMUJFWSA-N 1 1 314.458 3.664 20 30 DHEDMO C[N@@H+]1CC[C@@H](NCc2ccc(C#N)c(F)c2)C[C@@H]1c1ccccc1 ZINC000453361227 1024487264 /nfs/dbraw/zinc/48/72/64/1024487264.db2.gz APKXQZXKHKVUJK-UYAOXDASSA-N 1 1 323.415 3.622 20 30 DHEDMO C[N@H+]1CC[C@@H](NCc2ccc(C#N)c(F)c2)C[C@@H]1c1ccccc1 ZINC000453361227 1024487269 /nfs/dbraw/zinc/48/72/69/1024487269.db2.gz APKXQZXKHKVUJK-UYAOXDASSA-N 1 1 323.415 3.622 20 30 DHEDMO CCN1CCC([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000271647124 1024555431 /nfs/dbraw/zinc/55/54/31/1024555431.db2.gz AILDIBBIKOMIKY-UHFFFAOYSA-N 1 1 319.452 3.799 20 30 DHEDMO CC[NH+]1CCC(NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000271647124 1024555435 /nfs/dbraw/zinc/55/54/35/1024555435.db2.gz AILDIBBIKOMIKY-UHFFFAOYSA-N 1 1 319.452 3.799 20 30 DHEDMO C[C@@H]([NH2+]Cc1nc(C(F)(F)F)cs1)c1ccc(C#N)cc1 ZINC000271645484 1024556051 /nfs/dbraw/zinc/55/60/51/1024556051.db2.gz IAPVWEOMGXAJCO-SECBINFHSA-N 1 1 311.332 3.884 20 30 DHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000532125028 1024560182 /nfs/dbraw/zinc/56/01/82/1024560182.db2.gz RDCRAEOAKZMZPS-QGZVFWFLSA-N 1 1 314.429 3.502 20 30 DHEDMO C=C(C)C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000103479223 1024561634 /nfs/dbraw/zinc/56/16/34/1024561634.db2.gz PCUXSIBOLGVWBU-AWEZNQCLSA-N 1 1 301.365 3.631 20 30 DHEDMO CN(CC[C@@H]1CCCC[N@H+]1C)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000585719849 1024573327 /nfs/dbraw/zinc/57/33/27/1024573327.db2.gz VTSCUWAJIQXLIS-IRXDYDNUSA-N 1 1 305.853 3.711 20 30 DHEDMO CCC[N@@H+](C)C[C@@H]1CCN([C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000585719863 1024574338 /nfs/dbraw/zinc/57/43/38/1024574338.db2.gz WZYJACMKVGXBCG-WMLDXEAASA-N 1 1 305.853 3.568 20 30 DHEDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000339151966 1024575191 /nfs/dbraw/zinc/57/51/91/1024575191.db2.gz KYCNHRAGPMSUNA-GOSISDBHSA-N 1 1 308.429 3.696 20 30 DHEDMO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000339151966 1024575203 /nfs/dbraw/zinc/57/52/03/1024575203.db2.gz KYCNHRAGPMSUNA-GOSISDBHSA-N 1 1 308.429 3.696 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)CC[C@H]1C ZINC001172491916 1033223343 /nfs/dbraw/zinc/22/33/43/1033223343.db2.gz IFPAEDXESHDBDP-BZUAXINKSA-N 1 1 323.481 3.694 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001172496808 1033224884 /nfs/dbraw/zinc/22/48/84/1033224884.db2.gz RJVIJZXDFDRSLF-OAHLLOKOSA-N 1 1 321.465 3.544 20 30 DHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc2c[nH]nc2c1 ZINC000348864015 1024634578 /nfs/dbraw/zinc/63/45/78/1024634578.db2.gz AKKSQZDZVYHEDW-UHFFFAOYSA-N 1 1 323.444 3.919 20 30 DHEDMO CCOC(=O)CC[N@@H+](Cc1ccccc1)[C@H](C)CCCC#N ZINC001172497170 1033226297 /nfs/dbraw/zinc/22/62/97/1033226297.db2.gz ZEHZOWUOZOJURH-MRXNPFEDSA-N 1 1 302.418 3.524 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001172495737 1033226764 /nfs/dbraw/zinc/22/67/64/1033226764.db2.gz HCOPDSFIPCXSIX-YJBOKZPZSA-N 1 1 321.465 3.544 20 30 DHEDMO CCCCCCCCC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000792269880 1024657271 /nfs/dbraw/zinc/65/72/71/1024657271.db2.gz XXRITNWWDHQDLJ-PMACEKPBSA-N 1 1 323.569 3.695 20 30 DHEDMO CCCCCCCCC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000792269880 1024657280 /nfs/dbraw/zinc/65/72/80/1024657280.db2.gz XXRITNWWDHQDLJ-PMACEKPBSA-N 1 1 323.569 3.695 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001172493650 1033226977 /nfs/dbraw/zinc/22/69/77/1033226977.db2.gz NIAZYMOGOSTHII-BZUAXINKSA-N 1 1 323.481 3.551 20 30 DHEDMO COc1ccc(C[N@H+](Cc2ccc(O)cc2)CC2CC2)cc1C#N ZINC000349037172 1024665106 /nfs/dbraw/zinc/66/51/06/1024665106.db2.gz RKBINJTYTKJLJA-UHFFFAOYSA-N 1 1 322.408 3.685 20 30 DHEDMO CC[N@@H+]1CC=C(c2cnc(N[C@H]3CC[C@H](C#N)CC3)c(C)c2)CC1 ZINC001167843220 1024681484 /nfs/dbraw/zinc/68/14/84/1024681484.db2.gz YURCKYOKVDMCLD-RUCARUNLSA-N 1 1 324.472 3.993 20 30 DHEDMO N#CCCCOc1cccc(C[N@@H+](Cc2ccccn2)C2CC2)c1 ZINC000349242493 1024691182 /nfs/dbraw/zinc/69/11/82/1024691182.db2.gz LZZIZKGRQHSRIX-UHFFFAOYSA-N 1 1 321.424 3.929 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CC[C@]2(CCCN2Cc2ccccc2)C1 ZINC001172497582 1033228808 /nfs/dbraw/zinc/22/88/08/1033228808.db2.gz DAKLBQOPBNTCKC-UYAOXDASSA-N 1 1 311.473 3.809 20 30 DHEDMO C[C@H](CCCC#N)N1CC[C@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC001172497582 1033228815 /nfs/dbraw/zinc/22/88/15/1033228815.db2.gz DAKLBQOPBNTCKC-UYAOXDASSA-N 1 1 311.473 3.809 20 30 DHEDMO C[C@H](CCCC#N)N1CC[C@]2(CCC[N@H+]2Cc2ccccc2)C1 ZINC001172497582 1033228819 /nfs/dbraw/zinc/22/88/19/1033228819.db2.gz DAKLBQOPBNTCKC-UYAOXDASSA-N 1 1 311.473 3.809 20 30 DHEDMO C=C(Br)C[NH2+]Cc1ccc(Br)s1 ZINC000038018746 1024712828 /nfs/dbraw/zinc/71/28/28/1024712828.db2.gz HCWXBWWRXKZODX-UHFFFAOYSA-N 1 1 311.042 3.509 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001172499496 1033230334 /nfs/dbraw/zinc/23/03/34/1033230334.db2.gz DNZOZUKKUBLEMN-UYAOXDASSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001172499496 1033230346 /nfs/dbraw/zinc/23/03/46/1033230346.db2.gz DNZOZUKKUBLEMN-UYAOXDASSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC001172504591 1033233933 /nfs/dbraw/zinc/23/39/33/1033233933.db2.gz HMQWDFHHGKXKCL-LVQVYYBASA-N 1 1 321.465 3.589 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC001172501696 1033232087 /nfs/dbraw/zinc/23/20/87/1033232087.db2.gz FFKJMCLAQYPJLN-AEFFLSMTSA-N 1 1 314.429 3.524 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCCc3ccccc3CC2)c1 ZINC001170331833 1024746099 /nfs/dbraw/zinc/74/60/99/1024746099.db2.gz ASHFOOZPMBVIHP-UHFFFAOYSA-N 1 1 320.436 3.818 20 30 DHEDMO CCCC[N@H+](CCC#N)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170343137 1024756293 /nfs/dbraw/zinc/75/62/93/1024756293.db2.gz NXEMAPYPVFVPEE-AWEZNQCLSA-N 1 1 319.405 3.550 20 30 DHEDMO CCCC[N@@H+](CCC#N)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170343137 1024756303 /nfs/dbraw/zinc/75/63/03/1024756303.db2.gz NXEMAPYPVFVPEE-AWEZNQCLSA-N 1 1 319.405 3.550 20 30 DHEDMO Cc1cc([C@@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)ccc1F ZINC000877083146 1033233644 /nfs/dbraw/zinc/23/36/44/1033233644.db2.gz IOFKAEZBJWEPKI-LLVKDONJSA-N 1 1 303.768 3.905 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCOCC23CCC3)CC1 ZINC001170388875 1024760594 /nfs/dbraw/zinc/76/05/94/1024760594.db2.gz IHWMBARGURWGJO-UHFFFAOYSA-N 1 1 310.441 3.645 20 30 DHEDMO C[N@@H+](C[C@H]1CCCCO1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170389475 1024761792 /nfs/dbraw/zinc/76/17/92/1024761792.db2.gz UKGYWJXJHDKRDV-IOJLRTSASA-N 1 1 312.457 3.891 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+](C)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001172509892 1033237225 /nfs/dbraw/zinc/23/72/25/1033237225.db2.gz SMDJJNKTWSUIIY-OWCLPIDISA-N 1 1 323.481 3.836 20 30 DHEDMO CC(=O)[C@@H]1CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170396384 1024764545 /nfs/dbraw/zinc/76/45/45/1024764545.db2.gz ZKIGQARCMBBSPU-QHGAOEGBSA-N 1 1 310.441 3.692 20 30 DHEDMO CCOc1cccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000349916424 1024768391 /nfs/dbraw/zinc/76/83/91/1024768391.db2.gz RKFMJQJRHHZDDN-UHFFFAOYSA-N 1 1 307.397 3.517 20 30 DHEDMO CCOc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000349916424 1024768404 /nfs/dbraw/zinc/76/84/04/1024768404.db2.gz RKFMJQJRHHZDDN-UHFFFAOYSA-N 1 1 307.397 3.517 20 30 DHEDMO CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H](C)CCCC#N ZINC001172507998 1033238714 /nfs/dbraw/zinc/23/87/14/1033238714.db2.gz ASCNFLNPKAQIPU-CVEARBPZSA-N 1 1 323.481 3.648 20 30 DHEDMO N#Cc1c(F)cccc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279193632 1024785023 /nfs/dbraw/zinc/78/50/23/1024785023.db2.gz WRAYDQFNVRILCV-UHFFFAOYSA-N 1 1 324.403 3.614 20 30 DHEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@@H](C)C#N ZINC000792788881 1024791647 /nfs/dbraw/zinc/79/16/47/1024791647.db2.gz SEHMRYSURSTJGT-LBPRGKRZSA-N 1 1 313.367 3.753 20 30 DHEDMO CC[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@@H](C)C#N ZINC000792788881 1024791652 /nfs/dbraw/zinc/79/16/52/1024791652.db2.gz SEHMRYSURSTJGT-LBPRGKRZSA-N 1 1 313.367 3.753 20 30 DHEDMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000350463671 1024817138 /nfs/dbraw/zinc/81/71/38/1024817138.db2.gz VHNQQWRNSNVRJC-IUODEOHRSA-N 1 1 300.793 3.512 20 30 DHEDMO CCCCCCC[C@@H](CCC)[NH2+]C1(C(=O)OC)CCOCC1 ZINC001172508755 1033236720 /nfs/dbraw/zinc/23/67/20/1033236720.db2.gz NZMJJAWVABBRJY-MRXNPFEDSA-N 1 1 313.482 3.827 20 30 DHEDMO COCc1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)o1 ZINC000350630315 1024834923 /nfs/dbraw/zinc/83/49/23/1024834923.db2.gz ZHPPTLCJQMBXDZ-UHFFFAOYSA-N 1 1 312.413 3.956 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1cn(CC)nc1C)c1ccc(F)c(F)c1 ZINC000893667538 1024890959 /nfs/dbraw/zinc/89/09/59/1024890959.db2.gz CMWYEXQYFPUUJA-KRWDZBQOSA-N 1 1 305.372 3.897 20 30 DHEDMO CCN1C[C@@H](C[N@@H+](C)CCCC(C)(C)C#N)Oc2ccccc21 ZINC000610447506 1024900422 /nfs/dbraw/zinc/90/04/22/1024900422.db2.gz WYWLGWMZMWUSAL-MRXNPFEDSA-N 1 1 315.461 3.536 20 30 DHEDMO CCCC[C@H](CC)C[N@H+]1CCC[C@]12CCN(CCCC#N)C2=O ZINC001275081018 1024907067 /nfs/dbraw/zinc/90/70/67/1024907067.db2.gz DPODHWHIRNMXPN-PKOBYXMFSA-N 1 1 319.493 3.573 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@H+](C[C@@H](C)CCC)CC2)C1=O ZINC001275082012 1024907279 /nfs/dbraw/zinc/90/72/79/1024907279.db2.gz KRQHCNASECTFLP-PKOBYXMFSA-N 1 1 306.494 3.703 20 30 DHEDMO CCCCCCC[N@H+]1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001275111247 1024917444 /nfs/dbraw/zinc/91/74/44/1024917444.db2.gz JNQZFNHKFWSTID-IBGZPJMESA-N 1 1 319.493 3.718 20 30 DHEDMO C[C@@H]1CC(N=Nc2cccc(Cl)n2)C[N@H+]1Cc1ccccc1 ZINC000793181200 1024927104 /nfs/dbraw/zinc/92/71/04/1024927104.db2.gz LBADKNAUJZJJNJ-CYBMUJFWSA-N 1 1 314.820 3.797 20 30 DHEDMO Cc1nccn1CCCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000163197399 1024984304 /nfs/dbraw/zinc/98/43/04/1024984304.db2.gz FEYVNZXZBCGLAI-VQTJNVASSA-N 1 1 322.456 3.744 20 30 DHEDMO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000353284507 1025013511 /nfs/dbraw/zinc/01/35/11/1025013511.db2.gz FLIFIFGOYAKEOR-SFHVURJKSA-N 1 1 322.408 3.610 20 30 DHEDMO COc1ncc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1Cl ZINC000793540813 1025084415 /nfs/dbraw/zinc/08/44/15/1025084415.db2.gz OMPSUPVCGDMRFV-JTQLQIEISA-N 1 1 319.767 3.605 20 30 DHEDMO CC#CCCCCCCCC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001274162555 1033258878 /nfs/dbraw/zinc/25/88/78/1033258878.db2.gz ABKYTDITUKVVAM-FQEVSTJZSA-N 1 1 318.505 3.685 20 30 DHEDMO COc1cc(C[NH2+][C@H](C)c2c(F)cccc2F)ccc1C#N ZINC000353623183 1025155981 /nfs/dbraw/zinc/15/59/81/1025155981.db2.gz ANLFSEMHLKMNDK-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO COc1cc(C[NH2+][C@@H](C)c2c(F)cccc2F)ccc1C#N ZINC000353623184 1025156249 /nfs/dbraw/zinc/15/62/49/1025156249.db2.gz ANLFSEMHLKMNDK-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO C[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000353681684 1025196845 /nfs/dbraw/zinc/19/68/45/1025196845.db2.gz WTGWCYHZGGACMH-XERREHJYSA-N 1 1 323.484 3.788 20 30 DHEDMO C[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000353681684 1025196862 /nfs/dbraw/zinc/19/68/62/1025196862.db2.gz WTGWCYHZGGACMH-XERREHJYSA-N 1 1 323.484 3.788 20 30 DHEDMO C=CCc1cc(C)c[nH+]c1NC1CCN(CC(F)(F)F)CC1 ZINC001170444820 1025241400 /nfs/dbraw/zinc/24/14/00/1025241400.db2.gz KPMLABICZIMREL-UHFFFAOYSA-N 1 1 313.367 3.557 20 30 DHEDMO N#Cc1ccccc1C[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000353986122 1025311139 /nfs/dbraw/zinc/31/11/39/1025311139.db2.gz GZVXQZXONIUIQT-NRFANRHFSA-N 1 1 320.436 3.820 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CCC(C)CC1)CC2 ZINC001168215018 1025328842 /nfs/dbraw/zinc/32/88/42/1025328842.db2.gz LDXXXBRPJWQFMA-TVPLGVNVSA-N 1 1 304.478 3.598 20 30 DHEDMO O=C1C=C2C[N@@H+]([C@H]3CCC[C@@H](c4ccccc4)C3)CCC2S1 ZINC001172541676 1033276416 /nfs/dbraw/zinc/27/64/16/1033276416.db2.gz RCJFSZNJVUGKQR-BPQIPLTHSA-N 1 1 313.466 3.987 20 30 DHEDMO C=CCCCCC[N@@H+]1CCCC[C@]12CC(=O)N([C@H](C)CC)C2 ZINC001275323444 1025422028 /nfs/dbraw/zinc/42/20/28/1025422028.db2.gz BJAAFKMMZUUSFX-IEBWSBKVSA-N 1 1 306.494 3.988 20 30 DHEDMO C=CCCCCCC[N@@H+]1CCC[C@]12CCN(CCCC)C2=O ZINC001275328920 1025437899 /nfs/dbraw/zinc/43/78/99/1025437899.db2.gz GZCPVSPNZFPQPZ-LJQANCHMSA-N 1 1 306.494 3.990 20 30 DHEDMO C=CCCCCC[N@@H+]1CCCC[C@@]12CC(=O)N(CC(C)C)C2 ZINC001275328689 1025438133 /nfs/dbraw/zinc/43/81/33/1025438133.db2.gz ATPULZYOXLPTTC-IBGZPJMESA-N 1 1 306.494 3.846 20 30 DHEDMO C=CCCCCCC[N@@H+]1CC[C@]2(CCN(CCCC)C2=O)C1 ZINC001275329249 1025440262 /nfs/dbraw/zinc/44/02/62/1025440262.db2.gz QPQFDHRESVWRCI-IBGZPJMESA-N 1 1 306.494 3.847 20 30 DHEDMO C=CCCCCCC[N@@H+]1CC[C@@]2(CCN(CC(=C)C)C2=O)C1 ZINC001275330801 1025443216 /nfs/dbraw/zinc/44/32/16/1025443216.db2.gz PUHCJWRUFMXRJF-LJQANCHMSA-N 1 1 304.478 3.623 20 30 DHEDMO N#CC1(C[C@H](O)C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)CCC1 ZINC000886052447 1025454252 /nfs/dbraw/zinc/45/42/52/1025454252.db2.gz QSXRCJMSLLSONY-HKUYNNGSSA-N 1 1 310.441 3.583 20 30 DHEDMO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCCCCCCC=C ZINC001275336692 1025454633 /nfs/dbraw/zinc/45/46/33/1025454633.db2.gz IJSMCGCTUKGVFO-RTBURBONSA-N 1 1 316.489 3.602 20 30 DHEDMO CCC[C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000051686664 1025491952 /nfs/dbraw/zinc/49/19/52/1025491952.db2.gz OXXPILJVOJEFJK-MRXNPFEDSA-N 1 1 315.461 3.671 20 30 DHEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC1CCC1 ZINC000127789589 1025553372 /nfs/dbraw/zinc/55/33/72/1025553372.db2.gz XVNQICWKFFCINT-UHFFFAOYSA-N 1 1 308.429 3.696 20 30 DHEDMO CC[C@H](c1ccccc1OC)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886207744 1025557525 /nfs/dbraw/zinc/55/75/25/1025557525.db2.gz LDWCVGBXAJVDHU-DOTOQJQBSA-N 1 1 316.445 3.523 20 30 DHEDMO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccns1 ZINC000860053850 1033290593 /nfs/dbraw/zinc/29/05/93/1033290593.db2.gz IGZMZVIEMDQVKP-NSHDSACASA-N 1 1 310.344 3.864 20 30 DHEDMO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886237282 1025568167 /nfs/dbraw/zinc/56/81/67/1025568167.db2.gz ZRJCTLFJEYERSI-WMZOPIPTSA-N 1 1 316.420 3.716 20 30 DHEDMO CC(C)(C)[N@H+](Cc1ccsc1)C[C@H](O)CC1(C#N)CCC1 ZINC000886274619 1025576902 /nfs/dbraw/zinc/57/69/02/1025576902.db2.gz XPZZRYPQTBLXEY-OAHLLOKOSA-N 1 1 306.475 3.793 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2ncc(CN(C)C)s2)CCCC1(C)C ZINC000348373712 1025577956 /nfs/dbraw/zinc/57/79/56/1025577956.db2.gz INTLSRSKCDNHNH-OAHLLOKOSA-N 1 1 307.507 3.771 20 30 DHEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000886356193 1025602283 /nfs/dbraw/zinc/60/22/83/1025602283.db2.gz VRSRGAVJCDYNEH-KGLIPLIRSA-N 1 1 313.376 3.590 20 30 DHEDMO CCC[N@H+]1Cc2cccc(/N=C/c3cccc(OC)c3O)c2C1 ZINC000066255612 1025617355 /nfs/dbraw/zinc/61/73/55/1025617355.db2.gz LGOUEFCWLCJKKG-RGVLZGJSSA-N 1 1 310.397 3.877 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cnc2n[nH]c(C)c2c1 ZINC000355210248 1025639517 /nfs/dbraw/zinc/63/95/17/1025639517.db2.gz AUQCTBBYXGCKOB-UHFFFAOYSA-N 1 1 306.413 3.845 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000355272316 1025660609 /nfs/dbraw/zinc/66/06/09/1025660609.db2.gz ZOSAYWUDTQSXOB-MRXNPFEDSA-N 1 1 319.408 3.573 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000355272316 1025660615 /nfs/dbraw/zinc/66/06/15/1025660615.db2.gz ZOSAYWUDTQSXOB-MRXNPFEDSA-N 1 1 319.408 3.573 20 30 DHEDMO C=CC[N@H+](CC[S@](=O)c1ccccc1)Cc1cccs1 ZINC000355269837 1025662124 /nfs/dbraw/zinc/66/21/24/1025662124.db2.gz IHENAXAAEJRYQC-FQEVSTJZSA-N 1 1 305.468 3.544 20 30 DHEDMO C=CC[N@@H+](CC[S@](=O)c1ccccc1)Cc1cccs1 ZINC000355269837 1025662128 /nfs/dbraw/zinc/66/21/28/1025662128.db2.gz IHENAXAAEJRYQC-FQEVSTJZSA-N 1 1 305.468 3.544 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000355360239 1025691556 /nfs/dbraw/zinc/69/15/56/1025691556.db2.gz ATWFPWUHKIYFPS-UHFFFAOYSA-N 1 1 305.406 3.781 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)OCC2(CC#N)CC2)cc1)C(C)C ZINC000805888020 1025712392 /nfs/dbraw/zinc/71/23/92/1025712392.db2.gz CRXZERWAVILFKG-UHFFFAOYSA-N 1 1 314.429 3.768 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000573741905 1025748315 /nfs/dbraw/zinc/74/83/15/1025748315.db2.gz VAMDBPFEFUVCFT-RTBURBONSA-N 1 1 321.424 3.631 20 30 DHEDMO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Br)cn1 ZINC000355517945 1025753133 /nfs/dbraw/zinc/75/31/33/1025753133.db2.gz SVLURECMFFTFLJ-SECBINFHSA-N 1 1 322.231 3.628 20 30 DHEDMO Cn1cc(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000355583650 1025775811 /nfs/dbraw/zinc/77/58/11/1025775811.db2.gz NYSPDKXXDIJHFA-GOSISDBHSA-N 1 1 322.456 3.969 20 30 DHEDMO CC[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)CC(C)C ZINC000051740836 1025781081 /nfs/dbraw/zinc/78/10/81/1025781081.db2.gz GVMXLRYGRRCECI-UHFFFAOYSA-N 1 1 315.461 3.528 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000614179792 1025816818 /nfs/dbraw/zinc/81/68/18/1025816818.db2.gz NIBQBHGGPBMCDU-CABCVRRESA-N 1 1 318.848 3.850 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000614179792 1025816824 /nfs/dbraw/zinc/81/68/24/1025816824.db2.gz NIBQBHGGPBMCDU-CABCVRRESA-N 1 1 318.848 3.850 20 30 DHEDMO C[C@H]1CCC[N@H+]1C1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000134768714 1025820639 /nfs/dbraw/zinc/82/06/39/1025820639.db2.gz KLGOOZUCMJPHFG-INIZCTEOSA-N 1 1 316.876 3.640 20 30 DHEDMO COC[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc(C)o1 ZINC000614183865 1025823389 /nfs/dbraw/zinc/82/33/89/1025823389.db2.gz JJSDDIDVHYGALE-KRWDZBQOSA-N 1 1 312.413 3.867 20 30 DHEDMO CC[N@@H+](CCCSCC#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000074990584 1025829630 /nfs/dbraw/zinc/82/96/30/1025829630.db2.gz ISLKRCBPFBXIST-HNNXBMFYSA-N 1 1 306.475 3.595 20 30 DHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075637841 1025849295 /nfs/dbraw/zinc/84/92/95/1025849295.db2.gz UWWALPDFYJAKLC-CJNGLKHVSA-N 1 1 310.401 3.619 20 30 DHEDMO CC1(C)CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075768042 1025852933 /nfs/dbraw/zinc/85/29/33/1025852933.db2.gz ZFDWPWBUMRLKQQ-UHFFFAOYSA-N 1 1 310.401 3.620 20 30 DHEDMO C[C@H]1CCN(Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000354008988 1025924550 /nfs/dbraw/zinc/92/45/50/1025924550.db2.gz GMBSIMJEWIIUHG-SFHVURJKSA-N 1 1 319.452 3.655 20 30 DHEDMO C[C@H](CCC#N)[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000411306082 1025937030 /nfs/dbraw/zinc/93/70/30/1025937030.db2.gz LACIKBABWYSJFJ-QUCCMNQESA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000411306082 1025937040 /nfs/dbraw/zinc/93/70/40/1025937040.db2.gz LACIKBABWYSJFJ-QUCCMNQESA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@H](CCC#N)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000411306082 1025937046 /nfs/dbraw/zinc/93/70/46/1025937046.db2.gz LACIKBABWYSJFJ-QUCCMNQESA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@H](CCC#N)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000411306082 1025937062 /nfs/dbraw/zinc/93/70/62/1025937062.db2.gz LACIKBABWYSJFJ-QUCCMNQESA-N 1 1 311.473 3.667 20 30 DHEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356114507 1025951223 /nfs/dbraw/zinc/95/12/23/1025951223.db2.gz RKGUVZWCZSSWLZ-INIZCTEOSA-N 1 1 317.433 3.853 20 30 DHEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000356117394 1025952508 /nfs/dbraw/zinc/95/25/08/1025952508.db2.gz WMPUDXQGURGKPO-YPMHNXCESA-N 1 1 301.390 3.532 20 30 DHEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1nc(C#N)cs1 ZINC000356117394 1025952517 /nfs/dbraw/zinc/95/25/17/1025952517.db2.gz WMPUDXQGURGKPO-YPMHNXCESA-N 1 1 301.390 3.532 20 30 DHEDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nc(C#N)cs2)C12CCCCC2 ZINC000356127237 1025956903 /nfs/dbraw/zinc/95/69/03/1025956903.db2.gz NNPCXTJDWOZSBR-HUUCEWRRSA-N 1 1 319.474 3.574 20 30 DHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nc(C#N)cs2)C12CCCCC2 ZINC000356127237 1025956914 /nfs/dbraw/zinc/95/69/14/1025956914.db2.gz NNPCXTJDWOZSBR-HUUCEWRRSA-N 1 1 319.474 3.574 20 30 DHEDMO Cn1c2ccc(NCc3cccc(C#N)c3)cc2[nH+]c1C1CC1 ZINC000089806546 1026066340 /nfs/dbraw/zinc/06/63/40/1026066340.db2.gz OSPSHBSZBVRJHB-UHFFFAOYSA-N 1 1 302.381 3.934 20 30 DHEDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411560069 1026068858 /nfs/dbraw/zinc/06/88/58/1026068858.db2.gz XXASLFHNNBPCTD-QGZVFWFLSA-N 1 1 320.477 3.904 20 30 DHEDMO C[C@H](CCC#N)[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000411617252 1026080971 /nfs/dbraw/zinc/08/09/71/1026080971.db2.gz LBOCYUGRXCQQOV-GFCCVEGCSA-N 1 1 300.324 3.708 20 30 DHEDMO C=CCCCCCCNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000807571290 1026083935 /nfs/dbraw/zinc/08/39/35/1026083935.db2.gz IBCDGCZNSBFQJH-QGZVFWFLSA-N 1 1 309.498 3.639 20 30 DHEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000532968055 1026153165 /nfs/dbraw/zinc/15/31/65/1026153165.db2.gz QIJMQEGWCSKOFU-CRAIPNDOSA-N 1 1 313.445 3.787 20 30 DHEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC[C@H]1CC=C(C)C1(C)C ZINC001275502252 1026160267 /nfs/dbraw/zinc/16/02/67/1026160267.db2.gz BIYYTDSJZYTUKF-KZNAEPCWSA-N 1 1 316.489 3.620 20 30 DHEDMO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419330633 1026172573 /nfs/dbraw/zinc/17/25/73/1026172573.db2.gz IBYXDMAPOLVHKU-KGLIPLIRSA-N 1 1 319.474 3.705 20 30 DHEDMO CC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCOC(C)(C)C1 ZINC000289813884 1026185218 /nfs/dbraw/zinc/18/52/18/1026185218.db2.gz NSADVTGLHFELGU-MRXNPFEDSA-N 1 1 306.837 3.991 20 30 DHEDMO C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000533034715 1026185859 /nfs/dbraw/zinc/18/58/59/1026185859.db2.gz NJBDVJHRGAYEPU-KRWDZBQOSA-N 1 1 301.434 3.629 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1C)Cc1ccc(OC)cc1OC ZINC000614396825 1026291457 /nfs/dbraw/zinc/29/14/57/1026291457.db2.gz QEMVQRNINLTQGO-UHFFFAOYSA-N 1 1 324.424 3.906 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000614403508 1026300972 /nfs/dbraw/zinc/30/09/72/1026300972.db2.gz DUCJMVZXFIOMGG-HXUWFJFHSA-N 1 1 305.425 3.943 20 30 DHEDMO C#CC[N@H+](CC[C@H](O)c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000808711381 1026360409 /nfs/dbraw/zinc/36/04/09/1026360409.db2.gz FKGNQYUKRQQNGJ-RTWAWAEBSA-N 1 1 305.421 3.733 20 30 DHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000808777984 1026392666 /nfs/dbraw/zinc/39/26/66/1026392666.db2.gz IUUBXXBETSOJOX-CQSZACIVSA-N 1 1 304.821 3.864 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)Cc2ccccc2O1 ZINC000808791367 1026395202 /nfs/dbraw/zinc/39/52/02/1026395202.db2.gz URPOUHJURJYQBI-UHFFFAOYSA-N 1 1 322.408 3.762 20 30 DHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C(C)C)cc1C ZINC000747530448 1026411681 /nfs/dbraw/zinc/41/16/81/1026411681.db2.gz LMICWTDCOWWFEV-KRWDZBQOSA-N 1 1 315.461 3.526 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)c(F)c1 ZINC000151141639 1026455404 /nfs/dbraw/zinc/45/54/04/1026455404.db2.gz VZJJPOJJEVEKGV-QGZVFWFLSA-N 1 1 314.335 3.840 20 30 DHEDMO Cc1cc(C[N@H+]2CCCN(c3ccccc3F)CC2)ccc1C#N ZINC000513406764 1026498246 /nfs/dbraw/zinc/49/82/46/1026498246.db2.gz XHEFDLKBSFZSJF-UHFFFAOYSA-N 1 1 323.415 3.718 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCOC2)cc1 ZINC000513442168 1026506897 /nfs/dbraw/zinc/50/68/97/1026506897.db2.gz FNCVXYWDTLOXRB-IBGZPJMESA-N 1 1 324.399 3.736 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)cc1 ZINC000809560304 1026550040 /nfs/dbraw/zinc/55/00/40/1026550040.db2.gz UEBCMBJWCKAHGN-NHCUHLMSSA-N 1 1 305.421 3.756 20 30 DHEDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C[C@H](O)CC#N)C1CC1 ZINC000809573219 1026552860 /nfs/dbraw/zinc/55/28/60/1026552860.db2.gz DZIUEZGAHPSWTK-XHDPSFHLSA-N 1 1 312.335 3.505 20 30 DHEDMO C#Cc1ccc(C[N@H+](CC)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000809580508 1026554628 /nfs/dbraw/zinc/55/46/28/1026554628.db2.gz BKHULYYMQKLHQH-UHFFFAOYSA-N 1 1 320.436 3.745 20 30 DHEDMO C#Cc1ccc(C[N@@H+](CC)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000809580508 1026554634 /nfs/dbraw/zinc/55/46/34/1026554634.db2.gz BKHULYYMQKLHQH-UHFFFAOYSA-N 1 1 320.436 3.745 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000809592930 1026568056 /nfs/dbraw/zinc/56/80/56/1026568056.db2.gz KOHOMPWOXXIQGZ-MSOLQXFVSA-N 1 1 311.450 3.818 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1cc(C)ccc1O)c1ccc(Cl)cc1F ZINC000809698991 1026586761 /nfs/dbraw/zinc/58/67/61/1026586761.db2.gz JGXXJDJDEGMLCX-MRXNPFEDSA-N 1 1 303.764 3.957 20 30 DHEDMO C#C[C@@H](C)[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000809682954 1026590953 /nfs/dbraw/zinc/59/09/53/1026590953.db2.gz JWILAOJZCYSRBB-LLVKDONJSA-N 1 1 322.239 3.658 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(OC)c1O ZINC000809717503 1026604095 /nfs/dbraw/zinc/60/40/95/1026604095.db2.gz JDCNUMIUOXZWCQ-UHFFFAOYSA-N 1 1 315.800 3.690 20 30 DHEDMO C#CC[N@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)C1CCCCC1 ZINC001307445231 1026652370 /nfs/dbraw/zinc/65/23/70/1026652370.db2.gz WGMCFIUMLXTNPI-GJZGRUSLSA-N 1 1 303.368 3.754 20 30 DHEDMO Cc1nc2c(s1)CCC[C@H]2C[N@H+](C)Cc1cccc(C#N)c1 ZINC000366469131 1026767239 /nfs/dbraw/zinc/76/72/39/1026767239.db2.gz SYGONGDZFQUAMW-INIZCTEOSA-N 1 1 311.454 3.875 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000420937799 1026882952 /nfs/dbraw/zinc/88/29/52/1026882952.db2.gz ACUAUBCHRAJFOI-AWEZNQCLSA-N 1 1 312.335 3.601 20 30 DHEDMO COc1ccc2c(c1)OC(C)(C)C[N@H+](CCC(C)(C)C#N)C2 ZINC000421048701 1026922944 /nfs/dbraw/zinc/92/29/44/1026922944.db2.gz ZXVZDRPMTULTTD-UHFFFAOYSA-N 1 1 302.418 3.608 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000016339527 1026950402 /nfs/dbraw/zinc/95/04/02/1026950402.db2.gz MIIZPJBZAITFOS-GOSISDBHSA-N 1 1 320.392 3.667 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000016339527 1026950408 /nfs/dbraw/zinc/95/04/08/1026950408.db2.gz MIIZPJBZAITFOS-GOSISDBHSA-N 1 1 320.392 3.667 20 30 DHEDMO N#Cc1ccc(CNC[C@H](c2ccccc2)[NH+]2CCCC2)cc1F ZINC000421331390 1026956665 /nfs/dbraw/zinc/95/66/65/1026956665.db2.gz JPRMHMYBNIIWEY-HXUWFJFHSA-N 1 1 323.415 3.624 20 30 DHEDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C#N)s1 ZINC000421362299 1026963740 /nfs/dbraw/zinc/96/37/40/1026963740.db2.gz NCPXAQGFGNAIET-OLZOCXBDSA-N 1 1 320.458 3.562 20 30 DHEDMO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CC(C)(C)CCC#N)C1 ZINC000421374371 1026969286 /nfs/dbraw/zinc/96/92/86/1026969286.db2.gz FPPUDLZJAGHVEC-GJZGRUSLSA-N 1 1 308.466 3.616 20 30 DHEDMO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CC(C)(C)CCC#N)C1 ZINC000421374370 1026970485 /nfs/dbraw/zinc/97/04/85/1026970485.db2.gz FPPUDLZJAGHVEC-CABCVRRESA-N 1 1 308.466 3.616 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000137192749 1026985570 /nfs/dbraw/zinc/98/55/70/1026985570.db2.gz JHCVXKBEOOVYOU-GASCZTMLSA-N 1 1 318.486 3.881 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000137192749 1026985580 /nfs/dbraw/zinc/98/55/80/1026985580.db2.gz JHCVXKBEOOVYOU-GASCZTMLSA-N 1 1 318.486 3.881 20 30 DHEDMO CCC[N@@H+](CCC(C)(C)C#N)[C@H](C)C(=O)Nc1ccccc1C ZINC000561887463 1027106971 /nfs/dbraw/zinc/10/69/71/1027106971.db2.gz YRRXGANDCZLQEZ-MRXNPFEDSA-N 1 1 315.461 3.974 20 30 DHEDMO CCC[N@H+]1CCc2c(N)sc(NC3=CC[C@H](C#N)CC3)c2C1 ZINC001212859463 1027143750 /nfs/dbraw/zinc/14/37/50/1027143750.db2.gz JVGVPMSWCLVLSS-LBPRGKRZSA-N 1 1 316.474 3.718 20 30 DHEDMO COc1ccccc1[C@@H]1CCC[N@@H+](Cc2cncc(C#N)c2)CC1 ZINC000931562229 1027171219 /nfs/dbraw/zinc/17/12/19/1027171219.db2.gz AUSRFTLDWYEXMF-GOSISDBHSA-N 1 1 321.424 3.732 20 30 DHEDMO Cc1nc(CC[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cs1 ZINC000362407752 1027190908 /nfs/dbraw/zinc/19/09/08/1027190908.db2.gz MXZSMAPMRTVXJG-MSOLQXFVSA-N 1 1 311.454 3.766 20 30 DHEDMO Cc1nc(CC[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cs1 ZINC000362407752 1027190918 /nfs/dbraw/zinc/19/09/18/1027190918.db2.gz MXZSMAPMRTVXJG-MSOLQXFVSA-N 1 1 311.454 3.766 20 30 DHEDMO COC(=O)CC[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000931618358 1027192820 /nfs/dbraw/zinc/19/28/20/1027192820.db2.gz DNOJIUBLQLMVDK-MRXNPFEDSA-N 1 1 306.450 3.516 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCc2nc[nH]c2C12CCC2 ZINC000931676573 1027211433 /nfs/dbraw/zinc/21/14/33/1027211433.db2.gz BBDRPWYBLNOPPG-UHFFFAOYSA-N 1 1 320.440 3.648 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2nc[nH]c2C12CCC2 ZINC000931676573 1027211446 /nfs/dbraw/zinc/21/14/46/1027211446.db2.gz BBDRPWYBLNOPPG-UHFFFAOYSA-N 1 1 320.440 3.648 20 30 DHEDMO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](CC1CCC(C#N)CC1)C3 ZINC000931693994 1027218738 /nfs/dbraw/zinc/21/87/38/1027218738.db2.gz GUOIKYXBMYXNOY-UHFFFAOYSA-N 1 1 323.440 3.865 20 30 DHEDMO CC(C)OCCO[NH+]=Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000812240478 1027221473 /nfs/dbraw/zinc/22/14/73/1027221473.db2.gz SHPYSYDIJUOPHF-UHFFFAOYSA-N 1 1 318.339 3.547 20 30 DHEDMO C=C[C@@H](CC(=O)OCCCCn1cc[nH+]c1C)c1ccccc1 ZINC000778840705 1027271482 /nfs/dbraw/zinc/27/14/82/1027271482.db2.gz ZYHRDAUCSMFHKA-KRWDZBQOSA-N 1 1 312.413 3.875 20 30 DHEDMO CC(=[NH+]Nc1cc(C)cc(C)c1)c1cccc(N2CCOCC2)c1 ZINC000812435263 1027280643 /nfs/dbraw/zinc/28/06/43/1027280643.db2.gz CHLJEUXKSXXGAC-UHFFFAOYSA-N 1 1 323.440 3.976 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000931907095 1027297283 /nfs/dbraw/zinc/29/72/83/1027297283.db2.gz CJYDXLWKHTZZSV-HBGVWJBISA-N 1 1 318.420 3.519 20 30 DHEDMO Cc1cnc(CC[N@@H+](C)CC#Cc2ccccc2Cl)s1 ZINC000157664812 1027346875 /nfs/dbraw/zinc/34/68/75/1027346875.db2.gz LLOXIHRMXNGJDT-UHFFFAOYSA-N 1 1 304.846 3.631 20 30 DHEDMO Cc1cnc(CC[N@H+](C)CC#Cc2ccccc2Cl)s1 ZINC000157664812 1027346892 /nfs/dbraw/zinc/34/68/92/1027346892.db2.gz LLOXIHRMXNGJDT-UHFFFAOYSA-N 1 1 304.846 3.631 20 30 DHEDMO C=C[C@H](CC)CC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000932072267 1027358376 /nfs/dbraw/zinc/35/83/76/1027358376.db2.gz CMHYOGHBMFVBJL-JKSUJKDBSA-N 1 1 316.445 3.621 20 30 DHEDMO N#Cc1csc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000093684243 1027376117 /nfs/dbraw/zinc/37/61/17/1027376117.db2.gz WLUCJBSEJBWHEF-MRXNPFEDSA-N 1 1 312.438 3.658 20 30 DHEDMO Cc1ccnc([C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)c1 ZINC000574336717 1027384354 /nfs/dbraw/zinc/38/43/54/1027384354.db2.gz IJBRHYLROQGHDU-QGZVFWFLSA-N 1 1 310.828 3.884 20 30 DHEDMO N#Cc1ccccc1CSCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422987450 1027387630 /nfs/dbraw/zinc/38/76/30/1027387630.db2.gz IKIRWEYGKGWQQQ-MOPGFXCFSA-N 1 1 323.465 3.526 20 30 DHEDMO C=CCSc1ccccc1C(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000362830098 1027406096 /nfs/dbraw/zinc/40/60/96/1027406096.db2.gz YPVHTSYXSJMUBQ-GJZGRUSLSA-N 1 1 318.486 3.519 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2nnc([C@H](C)CC)[nH]2)cc1 ZINC000362911413 1027440227 /nfs/dbraw/zinc/44/02/27/1027440227.db2.gz BTSUCOLJBQQDRZ-KGLIPLIRSA-N 1 1 314.433 3.734 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC)[C@H](C)[C@H](O)c1ccccc1 ZINC000812847422 1027442216 /nfs/dbraw/zinc/44/22/16/1027442216.db2.gz DBBWHUUMZHIVOW-QRWLVFNGSA-N 1 1 324.424 3.511 20 30 DHEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1SCCC#N ZINC000932297162 1027445626 /nfs/dbraw/zinc/44/56/26/1027445626.db2.gz HDWSTYSMYAFLEO-HNNXBMFYSA-N 1 1 317.458 3.504 20 30 DHEDMO Cc1cc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)ccc1C#N ZINC000362934023 1027452180 /nfs/dbraw/zinc/45/21/80/1027452180.db2.gz JFLLJYLLMHWPPE-IBGZPJMESA-N 1 1 310.397 3.641 20 30 DHEDMO Cc1cc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)ccc1C#N ZINC000362934023 1027452190 /nfs/dbraw/zinc/45/21/90/1027452190.db2.gz JFLLJYLLMHWPPE-IBGZPJMESA-N 1 1 310.397 3.641 20 30 DHEDMO CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000423233622 1027468208 /nfs/dbraw/zinc/46/82/08/1027468208.db2.gz DVUULKSVAMXCPC-RTWAWAEBSA-N 1 1 319.452 3.959 20 30 DHEDMO COCC[N@@H+](Cc1cccs1)Cc1ccc(C#N)c(C)c1 ZINC000362961717 1027468765 /nfs/dbraw/zinc/46/87/65/1027468765.db2.gz YKUFRTMLIYQFLX-UHFFFAOYSA-N 1 1 300.427 3.577 20 30 DHEDMO C#CC[N@H+](Cc1cncc(-c2cc(F)ccc2OC)c1)C(C)C ZINC000932387404 1027475045 /nfs/dbraw/zinc/47/50/45/1027475045.db2.gz XSUCNCDNHHVUAI-UHFFFAOYSA-N 1 1 312.388 3.740 20 30 DHEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2CCCC1CCCC1 ZINC001275831491 1027620735 /nfs/dbraw/zinc/62/07/35/1027620735.db2.gz QVVZMVPBSIWHDW-FQEVSTJZSA-N 1 1 318.505 3.990 20 30 DHEDMO C[C@H]1C[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)C[N@H+]1C1CC1 ZINC000576512713 1027626225 /nfs/dbraw/zinc/62/62/25/1027626225.db2.gz JQZMZWQGAKNSTJ-CMPLNLGQSA-N 1 1 309.335 3.614 20 30 DHEDMO Cc1nc2ccccn2c1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000158812766 1027644051 /nfs/dbraw/zinc/64/40/51/1027644051.db2.gz LPJLWXSBNMCNNS-UHFFFAOYSA-N 1 1 318.424 3.925 20 30 DHEDMO CC1(C)C[C@H](c2ccccc2)C[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000932898247 1027645609 /nfs/dbraw/zinc/64/56/09/1027645609.db2.gz JRRRKJQFRQPNQM-ROUUACIJSA-N 1 1 312.457 3.699 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CC[C@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC000933046814 1027663952 /nfs/dbraw/zinc/66/39/52/1027663952.db2.gz WSADFBJJSCMVTE-QAPCUYQASA-N 1 1 321.465 3.544 20 30 DHEDMO C#CCC1([NH2+]Cc2nc([C@@H](C)SCC)no2)CCCCC1 ZINC000933268829 1027706652 /nfs/dbraw/zinc/70/66/52/1027706652.db2.gz GFEDRQCIUANNOC-CYBMUJFWSA-N 1 1 307.463 3.700 20 30 DHEDMO N#CCCC1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000577175166 1027721835 /nfs/dbraw/zinc/72/18/35/1027721835.db2.gz ICXZIGNOTZKOSP-UHFFFAOYSA-N 1 1 301.415 3.919 20 30 DHEDMO C[C@]1([NH2+]Cc2ccc(C#N)cc2Cl)CCOc2ccccc21 ZINC000933373003 1027725721 /nfs/dbraw/zinc/72/57/21/1027725721.db2.gz ZWFJQTDOOAXCLQ-SFHVURJKSA-N 1 1 312.800 3.999 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@@H]1CCC(C)=C[C@H]1C ZINC001275851100 1027728782 /nfs/dbraw/zinc/72/87/82/1027728782.db2.gz FFNLVVKCRDMJAC-HBFSDRIKSA-N 1 1 316.489 3.622 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(Cl)nn1)[C@H]1CCCc2ccccc21 ZINC000933416621 1027734476 /nfs/dbraw/zinc/73/44/76/1027734476.db2.gz AUUPUCOJXYIFHU-KRWDZBQOSA-N 1 1 311.816 3.643 20 30 DHEDMO C#CC[N@H+](Cc1ccc(Cl)nn1)[C@H]1CCCc2ccccc21 ZINC000933416621 1027734493 /nfs/dbraw/zinc/73/44/93/1027734493.db2.gz AUUPUCOJXYIFHU-KRWDZBQOSA-N 1 1 311.816 3.643 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc2c(c1)CCO2 ZINC000933487457 1027743390 /nfs/dbraw/zinc/74/33/90/1027743390.db2.gz CDUGSHDUAQBNMH-GFCCVEGCSA-N 1 1 312.800 3.997 20 30 DHEDMO CC(C)c1ncc2c(n1)CC[N@@H+](CCC1(C#N)CCCCC1)C2 ZINC000527622389 1027790432 /nfs/dbraw/zinc/79/04/32/1027790432.db2.gz XVBCHQPKYVFUSD-UHFFFAOYSA-N 1 1 312.461 3.822 20 30 DHEDMO CC(C)c1ncc2c(n1)CC[N@H+](CCC1(C#N)CCCCC1)C2 ZINC000527622389 1027790439 /nfs/dbraw/zinc/79/04/39/1027790439.db2.gz XVBCHQPKYVFUSD-UHFFFAOYSA-N 1 1 312.461 3.822 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](c3ccco3)C2)c1C ZINC000600689116 1027795175 /nfs/dbraw/zinc/79/51/75/1027795175.db2.gz ARXWTVLGZCPBPX-MRXNPFEDSA-N 1 1 312.413 3.556 20 30 DHEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC[C@H](C)CC(C)(C)C ZINC001275880376 1027800261 /nfs/dbraw/zinc/80/02/61/1027800261.db2.gz LNVAJHBSXBFCSK-GVDBMIGSSA-N 1 1 306.494 3.700 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+](CCC3CCCC3)CC2)C1=O ZINC001275900202 1027816658 /nfs/dbraw/zinc/81/66/58/1027816658.db2.gz TWSZZETUFRBSKY-HXUWFJFHSA-N 1 1 318.505 3.847 20 30 DHEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000933770677 1027822906 /nfs/dbraw/zinc/82/29/06/1027822906.db2.gz QXKJFPCZQFPURI-WCQYABFASA-N 1 1 318.364 3.552 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000297750752 1027851468 /nfs/dbraw/zinc/85/14/68/1027851468.db2.gz OUVWMSZGIFFFPZ-AEFFLSMTSA-N 1 1 314.473 3.616 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000297750762 1027852449 /nfs/dbraw/zinc/85/24/49/1027852449.db2.gz OUVWMSZGIFFFPZ-FUHWJXTLSA-N 1 1 314.473 3.616 20 30 DHEDMO COc1ccccc1N1CCC[N@@H+](CCCC(C)(C)C#N)CC1 ZINC000934174727 1027918519 /nfs/dbraw/zinc/91/85/19/1027918519.db2.gz QZILCNVONRSNMH-UHFFFAOYSA-N 1 1 315.461 3.537 20 30 DHEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000934273565 1027949590 /nfs/dbraw/zinc/94/95/90/1027949590.db2.gz FVRSGBIETVIQHQ-YQVWRLOYSA-N 1 1 314.473 3.758 20 30 DHEDMO C=CCCCCC[N@@H+]1CCC[C@@H](c2ccnc(COC)n2)C1 ZINC000365516467 1027961406 /nfs/dbraw/zinc/96/14/06/1027961406.db2.gz RMAIQELQENDOGT-MRXNPFEDSA-N 1 1 303.450 3.549 20 30 DHEDMO N#Cc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@@H+]1C1CCCCC1)CC2 ZINC000527948836 1027983354 /nfs/dbraw/zinc/98/33/54/1027983354.db2.gz MIAROXJQKOSQRP-QUCCMNQESA-N 1 1 309.457 3.542 20 30 DHEDMO N#Cc1ccc2c(c1)[C@@H](NC[C@H]1CC[N@H+]1C1CCCCC1)CC2 ZINC000527948836 1027983364 /nfs/dbraw/zinc/98/33/64/1027983364.db2.gz MIAROXJQKOSQRP-QUCCMNQESA-N 1 1 309.457 3.542 20 30 DHEDMO C=CC(C)(C)C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000448705276 1027991126 /nfs/dbraw/zinc/99/11/26/1027991126.db2.gz SQMCEKNUABJHNG-MRXNPFEDSA-N 1 1 314.473 3.747 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2cccc(F)n2)cc1Cl ZINC000747939066 1028018807 /nfs/dbraw/zinc/01/88/07/1028018807.db2.gz UQVINYAQLSZJCH-UHFFFAOYSA-N 1 1 306.768 3.729 20 30 DHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1C[C@H]2CCCCCC[C@H]21 ZINC000366248783 1028069574 /nfs/dbraw/zinc/06/95/74/1028069574.db2.gz TZSJMZLZXOUDCC-SJLPKXTDSA-N 1 1 311.429 3.541 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CC(=O)Nc2cccc3c2[C@@H]1CCC3 ZINC000366312405 1028073958 /nfs/dbraw/zinc/07/39/58/1028073958.db2.gz OBWGFFBXKFHMQO-INIZCTEOSA-N 1 1 311.429 3.648 20 30 DHEDMO CCOc1ccc(CC[N@@H+](C)CC2CCC(C#N)CC2)cc1 ZINC000934719657 1028092623 /nfs/dbraw/zinc/09/26/23/1028092623.db2.gz RSAZAQAXSSUYLL-UHFFFAOYSA-N 1 1 300.446 3.890 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000934884054 1028140600 /nfs/dbraw/zinc/14/06/00/1028140600.db2.gz IBKAZVRJQKYRFD-IBGZPJMESA-N 1 1 313.445 3.669 20 30 DHEDMO C#CCCC[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000814677502 1028147666 /nfs/dbraw/zinc/14/76/66/1028147666.db2.gz YTSVLDYHZNYCCX-HNNXBMFYSA-N 1 1 306.247 3.727 20 30 DHEDMO C=C(Br)C[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000747969627 1028156023 /nfs/dbraw/zinc/15/60/23/1028156023.db2.gz QTBQAUAIIVFENL-HOTGVXAUSA-N 1 1 324.262 3.995 20 30 DHEDMO C=C(Br)C[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000747969627 1028156027 /nfs/dbraw/zinc/15/60/27/1028156027.db2.gz QTBQAUAIIVFENL-HOTGVXAUSA-N 1 1 324.262 3.995 20 30 DHEDMO N#Cc1ccc(C2=CC[N@H+](Cc3ccc(Cl)nc3)CC2)cc1 ZINC000367296344 1028160711 /nfs/dbraw/zinc/16/07/11/1028160711.db2.gz PRTFXYIXAKWRJN-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(Cl)nc3)CC2)cc1 ZINC000367296344 1028160719 /nfs/dbraw/zinc/16/07/19/1028160719.db2.gz PRTFXYIXAKWRJN-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000367365869 1028172179 /nfs/dbraw/zinc/17/21/79/1028172179.db2.gz SWDLGGILIFLDAS-HNNXBMFYSA-N 1 1 315.442 3.787 20 30 DHEDMO C=C[C@@H](CC)CC(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000935216913 1028222876 /nfs/dbraw/zinc/22/28/76/1028222876.db2.gz YCOZDVCWGNRTMW-KRWDZBQOSA-N 1 1 320.521 3.949 20 30 DHEDMO CC(C)[N@@H+]1CCc2nc(/C=C/C(=O)c3cccs3)sc2C1 ZINC000367824998 1028245628 /nfs/dbraw/zinc/24/56/28/1028245628.db2.gz QSTXEIAIMULLIZ-AATRIKPKSA-N 1 1 318.467 3.867 20 30 DHEDMO CC(C)[N@H+]1CCc2nc(/C=C/C(=O)c3cccs3)sc2C1 ZINC000367824998 1028245643 /nfs/dbraw/zinc/24/56/43/1028245643.db2.gz QSTXEIAIMULLIZ-AATRIKPKSA-N 1 1 318.467 3.867 20 30 DHEDMO N#CCCC[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC000578866722 1028259709 /nfs/dbraw/zinc/25/97/09/1028259709.db2.gz XROOTTQUKJZVLW-FQEVSTJZSA-N 1 1 311.473 3.886 20 30 DHEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000368131565 1028307986 /nfs/dbraw/zinc/30/79/86/1028307986.db2.gz ASDGYJWVNRJHNH-SCLBCKFNSA-N 1 1 324.428 3.655 20 30 DHEDMO C=CCOCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000815059949 1028341837 /nfs/dbraw/zinc/34/18/37/1028341837.db2.gz FSGLSHVMUBMGOQ-CVEARBPZSA-N 1 1 309.475 3.619 20 30 DHEDMO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000368366389 1028343444 /nfs/dbraw/zinc/34/34/44/1028343444.db2.gz CKFJKLINBUQQLU-AABGKKOBSA-N 1 1 311.473 3.571 20 30 DHEDMO CC[N@@H+](Cc1cc(CO)ccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000528359821 1028344880 /nfs/dbraw/zinc/34/48/80/1028344880.db2.gz SQCYUYIRXZNHOM-CQSZACIVSA-N 1 1 312.388 3.773 20 30 DHEDMO C#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000368578172 1028378012 /nfs/dbraw/zinc/37/80/12/1028378012.db2.gz KOVPGSFVHZILTC-HKUYNNGSSA-N 1 1 310.466 3.512 20 30 DHEDMO C#Cc1ccc(C[NH2+]C[C@@H]2CCN(C)[C@@H]2c2cccs2)cc1 ZINC000368578172 1028378030 /nfs/dbraw/zinc/37/80/30/1028378030.db2.gz KOVPGSFVHZILTC-HKUYNNGSSA-N 1 1 310.466 3.512 20 30 DHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc2[nH]cnc2c1 ZINC000564251849 1028381817 /nfs/dbraw/zinc/38/18/17/1028381817.db2.gz LAERRYJSHDDASD-UHFFFAOYSA-N 1 1 323.444 3.919 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc2nc[nH]c2c1 ZINC000564251849 1028381854 /nfs/dbraw/zinc/38/18/54/1028381854.db2.gz LAERRYJSHDDASD-UHFFFAOYSA-N 1 1 323.444 3.919 20 30 DHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc2nc[nH]c2c1 ZINC000564251849 1028381874 /nfs/dbraw/zinc/38/18/74/1028381874.db2.gz LAERRYJSHDDASD-UHFFFAOYSA-N 1 1 323.444 3.919 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)cc1 ZINC000368636901 1028388162 /nfs/dbraw/zinc/38/81/62/1028388162.db2.gz IZWIBALXZPRZGG-JKSUJKDBSA-N 1 1 322.408 3.761 20 30 DHEDMO C[C@@H]1[N@@H+](Cc2ccccc2C(C)(C)C#N)CCC12CCOCC2 ZINC000368813518 1028412333 /nfs/dbraw/zinc/41/23/33/1028412333.db2.gz HNCNHHNCRSMDST-INIZCTEOSA-N 1 1 312.457 3.879 20 30 DHEDMO C[C@@H](CC[NH2+]C1CCC(C)(C#N)CC1)N(C)Cc1ccccc1 ZINC000449173404 1028414064 /nfs/dbraw/zinc/41/40/64/1028414064.db2.gz GAYUGTLKTNFDCA-KKXNLOMOSA-N 1 1 313.489 3.959 20 30 DHEDMO C=CC1(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC000935943272 1028424829 /nfs/dbraw/zinc/42/48/29/1028424829.db2.gz JSTZHIAPTXAXGL-SJPCQFCGSA-N 1 1 304.478 3.597 20 30 DHEDMO CC(C)C[N@@H+]1CCCC[C@H]1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000579532836 1028431589 /nfs/dbraw/zinc/43/15/89/1028431589.db2.gz DDKIPVXYYJBGEZ-ICSRJNTNSA-N 1 1 311.473 3.646 20 30 DHEDMO CC(C)C[N@H+]1CCCC[C@H]1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000579532836 1028431597 /nfs/dbraw/zinc/43/15/97/1028431597.db2.gz DDKIPVXYYJBGEZ-ICSRJNTNSA-N 1 1 311.473 3.646 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[NH+]1CCC(C(F)F)CC1 ZINC000779157665 1028467858 /nfs/dbraw/zinc/46/78/58/1028467858.db2.gz GYSBFVMIIAGMDS-UHFFFAOYSA-N 1 1 313.775 3.829 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000369318315 1028471369 /nfs/dbraw/zinc/47/13/69/1028471369.db2.gz BEKUJCOJDGGVKE-GOSISDBHSA-N 1 1 311.429 3.652 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000369318315 1028471371 /nfs/dbraw/zinc/47/13/71/1028471371.db2.gz BEKUJCOJDGGVKE-GOSISDBHSA-N 1 1 311.429 3.652 20 30 DHEDMO CCOc1ccc(C2=CC[N@H+](Cc3ccc(C#N)cn3)CC2)cc1 ZINC000564585971 1028480062 /nfs/dbraw/zinc/48/00/62/1028480062.db2.gz RKLBLOJFIUBHIE-UHFFFAOYSA-N 1 1 319.408 3.641 20 30 DHEDMO CCOc1ccc(C2=CC[N@@H+](Cc3ccc(C#N)cn3)CC2)cc1 ZINC000564585971 1028480067 /nfs/dbraw/zinc/48/00/67/1028480067.db2.gz RKLBLOJFIUBHIE-UHFFFAOYSA-N 1 1 319.408 3.641 20 30 DHEDMO N#C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CCCCC1 ZINC000815444476 1028502553 /nfs/dbraw/zinc/50/25/53/1028502553.db2.gz COBFECYCOSXXFE-ROUUACIJSA-N 1 1 318.461 3.799 20 30 DHEDMO CC(C)(C#N)CCCOC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815444481 1028502750 /nfs/dbraw/zinc/50/27/50/1028502750.db2.gz CQDYBFFFMAZMGE-MRXNPFEDSA-N 1 1 306.450 3.657 20 30 DHEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)CC(C)(C)C#N)c2C1 ZINC000370080502 1028563475 /nfs/dbraw/zinc/56/34/75/1028563475.db2.gz IVDADUHBPRFAAY-UHFFFAOYSA-N 1 1 313.445 3.927 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3C[C@H]4CCCCCC[C@H]43)o2)cc1 ZINC000370546713 1028615093 /nfs/dbraw/zinc/61/50/93/1028615093.db2.gz MUBHWICFGQKTIX-IAGOWNOFSA-N 1 1 322.412 3.763 20 30 DHEDMO COc1cccc([C@H]2C[N@@H+](Cc3ccnc(C#N)c3)CC2(C)C)c1 ZINC000528626930 1028617735 /nfs/dbraw/zinc/61/77/35/1028617735.db2.gz SOSSBGXDIKXXBO-LJQANCHMSA-N 1 1 321.424 3.587 20 30 DHEDMO N#Cc1cccc([C@H]2CN(c3cc[nH+]c4ccsc43)CCO2)c1 ZINC000371287041 1028687275 /nfs/dbraw/zinc/68/72/75/1028687275.db2.gz KJVHTIUAAFXPOL-QGZVFWFLSA-N 1 1 321.405 3.746 20 30 DHEDMO Cc1cccc(NC[C@H]2CCC[N@H+]2CC(C)(C)CCC#N)n1 ZINC000371403255 1028705835 /nfs/dbraw/zinc/70/58/35/1028705835.db2.gz MPLGEWNNELBEEN-MRXNPFEDSA-N 1 1 300.450 3.596 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc2nccn21 ZINC000371478267 1028721122 /nfs/dbraw/zinc/72/11/22/1028721122.db2.gz VIMMPNPBQNGYAY-OALUTQOASA-N 1 1 316.408 3.606 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc2nccn21 ZINC000371478267 1028721135 /nfs/dbraw/zinc/72/11/35/1028721135.db2.gz VIMMPNPBQNGYAY-OALUTQOASA-N 1 1 316.408 3.606 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CCCc2ccccc2)nc1 ZINC000566922531 1028806227 /nfs/dbraw/zinc/80/62/27/1028806227.db2.gz NWBALTMFQHHECQ-FQEVSTJZSA-N 1 1 305.425 3.941 20 30 DHEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3c3ccsc3)n2c1 ZINC000372392569 1028846757 /nfs/dbraw/zinc/84/67/57/1028846757.db2.gz LDZLOGLOMBPXCP-MRXNPFEDSA-N 1 1 308.410 3.605 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3c3ccsc3)n2c1 ZINC000372392569 1028846775 /nfs/dbraw/zinc/84/67/75/1028846775.db2.gz LDZLOGLOMBPXCP-MRXNPFEDSA-N 1 1 308.410 3.605 20 30 DHEDMO N#Cc1c(F)ccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1Cl ZINC000372967349 1028927624 /nfs/dbraw/zinc/92/76/24/1028927624.db2.gz MUUZKPRWHZNXME-CYBMUJFWSA-N 1 1 322.811 3.599 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000567790398 1028952590 /nfs/dbraw/zinc/95/25/90/1028952590.db2.gz ZUOOMLNFBQSWBE-AEFFLSMTSA-N 1 1 303.833 3.583 20 30 DHEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)c1 ZINC000449753262 1028973472 /nfs/dbraw/zinc/97/34/72/1028973472.db2.gz FVEWJRIDIBXFDA-WGSAOQKQSA-N 1 1 306.409 3.945 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)[C@@H]1C ZINC000816647781 1028976748 /nfs/dbraw/zinc/97/67/48/1028976748.db2.gz YAYDEQNEWCLTFL-HZPDHXFCSA-N 1 1 306.409 3.977 20 30 DHEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H]3C[C@H]3C2)cc1OC ZINC000628349217 1029013947 /nfs/dbraw/zinc/01/39/47/1029013947.db2.gz CPGSNBKEIGLDCM-KBPBESRZSA-N 1 1 307.821 3.755 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000373409350 1029036865 /nfs/dbraw/zinc/03/68/65/1029036865.db2.gz SVVDWNUHBXDTMC-HNNXBMFYSA-N 1 1 308.385 3.615 20 30 DHEDMO Cc1cc([C@@H]2CC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)cs1 ZINC000373569942 1029083716 /nfs/dbraw/zinc/08/37/16/1029083716.db2.gz XDPBUXKRKXIVNT-OAHLLOKOSA-N 1 1 322.437 3.565 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000817280639 1029109231 /nfs/dbraw/zinc/10/92/31/1029109231.db2.gz BUIYCOHUTGCTKN-AWEZNQCLSA-N 1 1 312.335 3.753 20 30 DHEDMO Cc1nc([C@H]2CCCCN2CCC2(C#N)CCCCC2)n[nH]1 ZINC000411399311 1029120973 /nfs/dbraw/zinc/12/09/73/1029120973.db2.gz QYKIDEFKEHQDOR-OAHLLOKOSA-N 1 1 301.438 3.504 20 30 DHEDMO C=CCC1(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCCCC1 ZINC000450018023 1029146701 /nfs/dbraw/zinc/14/67/01/1029146701.db2.gz QJYVISYTYCVASE-SFHVURJKSA-N 1 1 318.505 3.703 20 30 DHEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C)sc1C ZINC001276167424 1029154120 /nfs/dbraw/zinc/15/41/20/1029154120.db2.gz VNMSYVCWEKHHOW-GOSISDBHSA-N 1 1 318.486 3.508 20 30 DHEDMO CC1(C)C[N@@H+](C[C@H](O)c2cccc(C#N)c2)[C@H]1c1cccs1 ZINC001170869708 1029172761 /nfs/dbraw/zinc/17/27/61/1029172761.db2.gz BILUJGUOJNHWRN-RDJZCZTQSA-N 1 1 312.438 3.736 20 30 DHEDMO N#CC1(CC[N@H+]2CC[C@H](OCc3ccncc3)C2)CCCCC1 ZINC000411660372 1029178335 /nfs/dbraw/zinc/17/83/35/1029178335.db2.gz BARQCBIEUFIMAV-SFHVURJKSA-N 1 1 313.445 3.537 20 30 DHEDMO N#CC1(CC[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CCCCC1 ZINC000411746452 1029196309 /nfs/dbraw/zinc/19/63/09/1029196309.db2.gz OGPWBRZGNKNVOL-SJORKVTESA-N 1 1 302.462 3.884 20 30 DHEDMO C[C@]1(c2ccccc2)CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000374058501 1029197900 /nfs/dbraw/zinc/19/79/00/1029197900.db2.gz SVJBPGGRSARLQB-IBGZPJMESA-N 1 1 312.457 3.751 20 30 DHEDMO COc1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)ccc1O ZINC000374211570 1029239229 /nfs/dbraw/zinc/23/92/29/1029239229.db2.gz OMPVKYKWVNFIGT-UHFFFAOYSA-N 1 1 320.392 3.562 20 30 DHEDMO C=CCC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCC1 ZINC000450191028 1029248291 /nfs/dbraw/zinc/24/82/91/1029248291.db2.gz WLJQKWBHLYIRGD-FUHWJXTLSA-N 1 1 316.489 3.598 20 30 DHEDMO CC[N@@H+](CCC#N)[C@H]1CCc2ccc(Br)cc2C1 ZINC001170880616 1029263088 /nfs/dbraw/zinc/26/30/88/1029263088.db2.gz ZMHUFUPLFPHURP-HNNXBMFYSA-N 1 1 307.235 3.542 20 30 DHEDMO CC(C)c1nnc([C@@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)[nH]1 ZINC000569821475 1029271548 /nfs/dbraw/zinc/27/15/48/1029271548.db2.gz NEEBKASGHHCVTK-DYVFJYSZSA-N 1 1 323.444 3.918 20 30 DHEDMO C=CCC[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccco1 ZINC000817942341 1029286392 /nfs/dbraw/zinc/28/63/92/1029286392.db2.gz OHYKEUPTBHYOSV-ROUUACIJSA-N 1 1 313.445 3.643 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)c1F ZINC000569970513 1029295315 /nfs/dbraw/zinc/29/53/15/1029295315.db2.gz OXNWSFYFWDQSNS-FQEVSTJZSA-N 1 1 322.383 3.667 20 30 DHEDMO C#CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)C1CCCC1 ZINC000155835357 1029313677 /nfs/dbraw/zinc/31/36/77/1029313677.db2.gz FFGVLPVUZYBPTK-UHFFFAOYSA-N 1 1 318.848 3.773 20 30 DHEDMO C#CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)C1CCCC1 ZINC000155835357 1029313688 /nfs/dbraw/zinc/31/36/88/1029313688.db2.gz FFGVLPVUZYBPTK-UHFFFAOYSA-N 1 1 318.848 3.773 20 30 DHEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCCC1 ZINC000450278442 1029323577 /nfs/dbraw/zinc/32/35/77/1029323577.db2.gz RTPVMMCNZYNLMM-ROUUACIJSA-N 1 1 312.457 3.685 20 30 DHEDMO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000450299090 1029333499 /nfs/dbraw/zinc/33/34/99/1029333499.db2.gz OPKDNEKJFRBTIA-IERDGZPVSA-N 1 1 320.436 3.687 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCCC1(F)F ZINC000450316985 1029369196 /nfs/dbraw/zinc/36/91/96/1029369196.db2.gz RVWFPWBXADVMNO-KRWDZBQOSA-N 1 1 322.399 3.832 20 30 DHEDMO N#CC1(CCC[N@@H+]2CC[C@@](F)(c3ccccc3)C2)CCOCC1 ZINC000374522402 1029370945 /nfs/dbraw/zinc/37/09/45/1029370945.db2.gz SUJVVSYVMSCVLL-IBGZPJMESA-N 1 1 316.420 3.658 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(c3c(F)cccc3F)CC2)nc1 ZINC000570860529 1029433264 /nfs/dbraw/zinc/43/32/64/1029433264.db2.gz WDAXGUZFLCIAHY-UHFFFAOYSA-N 1 1 313.351 3.611 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000570972691 1029441097 /nfs/dbraw/zinc/44/10/97/1029441097.db2.gz JDSWEORTNGKOBD-FUHWJXTLSA-N 1 1 303.446 3.767 20 30 DHEDMO CC(C)(C)[N@@H+]1CC[C@H](NCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000374779840 1029457192 /nfs/dbraw/zinc/45/71/92/1029457192.db2.gz MUKLCFDKDOGURF-LSDHHAIUSA-N 1 1 309.816 3.506 20 30 DHEDMO CC(C)(C)[N@H+]1CC[C@H](NCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000374779840 1029457196 /nfs/dbraw/zinc/45/71/96/1029457196.db2.gz MUKLCFDKDOGURF-LSDHHAIUSA-N 1 1 309.816 3.506 20 30 DHEDMO C=C[C@H](CC)CC(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001136201193 1029515827 /nfs/dbraw/zinc/51/58/27/1029515827.db2.gz ZMAYVGFCXIJETI-VQIMIIECSA-N 1 1 314.473 3.542 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](C[C@@H]3CCCCC3(F)F)CCO2)c1 ZINC000450653163 1029596840 /nfs/dbraw/zinc/59/68/40/1029596840.db2.gz VMCBUSANWGDGID-DLBZAZTESA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H]3CCCCC3(F)F)CCO2)c1 ZINC000450653163 1029596845 /nfs/dbraw/zinc/59/68/45/1029596845.db2.gz VMCBUSANWGDGID-DLBZAZTESA-N 1 1 320.383 3.757 20 30 DHEDMO CCC(=[NH+]N[C@H](C)c1ccncc1)c1ccc(Cl)c(N)c1 ZINC000819818589 1029614038 /nfs/dbraw/zinc/61/40/38/1029614038.db2.gz NWBAMHZNYFVAJE-LLVKDONJSA-N 1 1 302.809 3.782 20 30 DHEDMO C=CCC[C@H]([NH2+]Cc1nc(C(=O)OC)cs1)c1ccccc1 ZINC000450676456 1029618033 /nfs/dbraw/zinc/61/80/33/1029618033.db2.gz DKILPOLKRYHFOM-AWEZNQCLSA-N 1 1 316.426 3.727 20 30 DHEDMO N#CC1(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)CCC1 ZINC000450851049 1029704756 /nfs/dbraw/zinc/70/47/56/1029704756.db2.gz ZRCPEULDBLCAQS-UHFFFAOYSA-N 1 1 302.393 3.501 20 30 DHEDMO N#CCCn1cc(C(=O)Cn2cc[nH+]c2C2CC2)c2ccccc21 ZINC000530131402 1029748544 /nfs/dbraw/zinc/74/85/44/1029748544.db2.gz GPQURQBIVVNTTG-UHFFFAOYSA-N 1 1 318.380 3.512 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1C#N ZINC000530280638 1029800380 /nfs/dbraw/zinc/80/03/80/1029800380.db2.gz DZSKYNXUQOLBTM-INIZCTEOSA-N 1 1 310.372 3.695 20 30 DHEDMO CC[N@@H+](Cc1ccc2nonc2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000821362202 1029831613 /nfs/dbraw/zinc/83/16/13/1029831613.db2.gz DKMXXCLHCFKCRT-CYBMUJFWSA-N 1 1 306.369 3.678 20 30 DHEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000451407569 1029863092 /nfs/dbraw/zinc/86/30/92/1029863092.db2.gz MAPYXBAZNLJQBX-ZWNOBZJWSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000451407569 1029863098 /nfs/dbraw/zinc/86/30/98/1029863098.db2.gz MAPYXBAZNLJQBX-ZWNOBZJWSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000451402592 1029866740 /nfs/dbraw/zinc/86/67/40/1029866740.db2.gz BRRRYJIVLHQKLC-KBPBESRZSA-N 1 1 318.383 3.750 20 30 DHEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000451414479 1029870401 /nfs/dbraw/zinc/87/04/01/1029870401.db2.gz GOCUZMFDXXSJIZ-JSGCOSHPSA-N 1 1 321.346 3.974 20 30 DHEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000451414479 1029870407 /nfs/dbraw/zinc/87/04/07/1029870407.db2.gz GOCUZMFDXXSJIZ-JSGCOSHPSA-N 1 1 321.346 3.974 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000451413472 1029870741 /nfs/dbraw/zinc/87/07/41/1029870741.db2.gz YPDFDAQGQLJABG-RISCZKNCSA-N 1 1 312.335 3.730 20 30 DHEDMO C=CCN1c2ccccc2[C@]2(CC[N@H+](CCCC(C)C)C2)C1=O ZINC001276260212 1029968191 /nfs/dbraw/zinc/96/81/91/1029968191.db2.gz ZCQFIWRLFSXNRW-HXUWFJFHSA-N 1 1 312.457 3.599 20 30 DHEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H](CO)CC(C)(C)C ZINC000451786918 1030003994 /nfs/dbraw/zinc/00/39/94/1030003994.db2.gz XECQWUYNICIAGE-INIZCTEOSA-N 1 1 302.462 3.717 20 30 DHEDMO N#CC1(c2ccc(C[NH2+]Cc3noc4ccc(F)cc43)cc2)CC1 ZINC000865761442 1030012823 /nfs/dbraw/zinc/01/28/23/1030012823.db2.gz NDCJBRYEPQRZRK-UHFFFAOYSA-N 1 1 321.355 3.812 20 30 DHEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000357387796 1030029107 /nfs/dbraw/zinc/02/91/07/1030029107.db2.gz JPNJTCOTKKQMPD-CYBMUJFWSA-N 1 1 319.836 3.662 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000822525637 1030046450 /nfs/dbraw/zinc/04/64/50/1030046450.db2.gz KSGZHDXPGUQKDL-CQSZACIVSA-N 1 1 311.404 3.956 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1C ZINC000357529720 1030092291 /nfs/dbraw/zinc/09/22/91/1030092291.db2.gz KXVPBGZNRVJFCB-UHFFFAOYSA-N 1 1 321.424 3.717 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc2occc2c1 ZINC001275549431 1030096277 /nfs/dbraw/zinc/09/62/77/1030096277.db2.gz UILXPFBMIPMDCR-FQEVSTJZSA-N 1 1 324.424 3.576 20 30 DHEDMO CC[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000557436022 1030127620 /nfs/dbraw/zinc/12/76/20/1030127620.db2.gz UAHQAWOGKHWMLC-IBGZPJMESA-N 1 1 306.409 3.836 20 30 DHEDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC000357716939 1030162564 /nfs/dbraw/zinc/16/25/64/1030162564.db2.gz PGGZMXGAJNNBLE-STQMWFEESA-N 1 1 319.836 3.661 20 30 DHEDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866236988 1030171889 /nfs/dbraw/zinc/17/18/89/1030171889.db2.gz GPRSKLNWBXZWIF-VXGBXAGGSA-N 1 1 314.360 3.823 20 30 DHEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC001171007145 1030207065 /nfs/dbraw/zinc/20/70/65/1030207065.db2.gz MDOSJNLZEMWFDE-ZDUSSCGKSA-N 1 1 300.352 3.899 20 30 DHEDMO C[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1cccc(C#N)c1O ZINC000866295588 1030210114 /nfs/dbraw/zinc/21/01/14/1030210114.db2.gz GTNLMHLZQBXXGB-BZNIZROVSA-N 1 1 312.344 3.577 20 30 DHEDMO COc1cccc(C2([NH2+][C@@H](C)c3cccc(C#N)c3O)CC2)c1 ZINC000866318985 1030227670 /nfs/dbraw/zinc/22/76/70/1030227670.db2.gz AAFOTPANDMPPBG-ZDUSSCGKSA-N 1 1 308.381 3.612 20 30 DHEDMO C[NH+](C)Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1Cl ZINC000357911664 1030244488 /nfs/dbraw/zinc/24/44/88/1030244488.db2.gz MWXFKJSPNUBVLY-UHFFFAOYSA-N 1 1 313.788 3.526 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1cccc(C#N)c1O ZINC000866365726 1030258356 /nfs/dbraw/zinc/25/83/56/1030258356.db2.gz ZSZWZBKWXYFSQZ-SNVBAGLBSA-N 1 1 321.302 3.528 20 30 DHEDMO CC(C)[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866394902 1030274752 /nfs/dbraw/zinc/27/47/52/1030274752.db2.gz XEVONIZRDMSBHY-GDIGMMSISA-N 1 1 324.424 3.673 20 30 DHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ncc1F ZINC000823408525 1030280873 /nfs/dbraw/zinc/28/08/73/1030280873.db2.gz KJPJMLLEUYTZPP-UHFFFAOYSA-N 1 1 315.367 3.890 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ncc1F ZINC000823408525 1030280878 /nfs/dbraw/zinc/28/08/78/1030280878.db2.gz KJPJMLLEUYTZPP-UHFFFAOYSA-N 1 1 315.367 3.890 20 30 DHEDMO C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000533399239 1030315155 /nfs/dbraw/zinc/31/51/55/1030315155.db2.gz KLHMVOLNIRAKHE-HOTGVXAUSA-N 1 1 321.424 3.621 20 30 DHEDMO Cc1cc(CNc2cccc(F)c2C#N)cc(N2CCCC2)[nH+]1 ZINC000291119388 1030344792 /nfs/dbraw/zinc/34/47/92/1030344792.db2.gz MCQLRBBJNKTDMX-UHFFFAOYSA-N 1 1 310.376 3.613 20 30 DHEDMO C=CCC[N@@H+]1CC2(C[C@@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823643123 1030351199 /nfs/dbraw/zinc/35/11/99/1030351199.db2.gz MSOOUQJNRMKRMJ-HNNXBMFYSA-N 1 1 308.466 3.674 20 30 DHEDMO C[C@@H](NCc1cc(C#N)ccc1F)c1cccc(C[NH+](C)C)c1 ZINC000925474010 1030371923 /nfs/dbraw/zinc/37/19/23/1030371923.db2.gz IAXCEUIEPOXBNM-CQSZACIVSA-N 1 1 311.404 3.610 20 30 DHEDMO C[C@@H](O)C[N@@H+](CCC(C)(C)C#N)[C@H](C)Cc1ccc(Cl)cc1 ZINC000558116148 1030429100 /nfs/dbraw/zinc/42/91/00/1030429100.db2.gz VCGSNVWYLMIOJZ-HUUCEWRRSA-N 1 1 322.880 3.894 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000558133669 1030435481 /nfs/dbraw/zinc/43/54/81/1030435481.db2.gz GSFZEBBCAWSTLH-JKSUJKDBSA-N 1 1 318.486 3.817 20 30 DHEDMO C[C@H](C[N@H+](CC#Cc1ccccc1)[C@@H](C)CO)c1ccccc1 ZINC000558146767 1030437989 /nfs/dbraw/zinc/43/79/89/1030437989.db2.gz UBUOPTGDITXVEL-MOPGFXCFSA-N 1 1 307.437 3.525 20 30 DHEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccc(Cl)nc1 ZINC000824548877 1030578403 /nfs/dbraw/zinc/57/84/03/1030578403.db2.gz TXKGUENDNSKAGB-UHFFFAOYSA-N 1 1 311.816 3.922 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000558466834 1030590328 /nfs/dbraw/zinc/59/03/28/1030590328.db2.gz RMDVZHUZWNOHRD-HXUWFJFHSA-N 1 1 322.383 3.667 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000558466834 1030590339 /nfs/dbraw/zinc/59/03/39/1030590339.db2.gz RMDVZHUZWNOHRD-HXUWFJFHSA-N 1 1 322.383 3.667 20 30 DHEDMO C[C@H](CC(C)(C)C#N)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000926083557 1030603285 /nfs/dbraw/zinc/60/32/85/1030603285.db2.gz DBUGXZXUIXLZEB-CVEARBPZSA-N 1 1 315.461 3.820 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@H](CC)CSC)c1C ZINC000358742721 1030609917 /nfs/dbraw/zinc/60/99/17/1030609917.db2.gz GHOXPNUFHXRKJW-OAHLLOKOSA-N 1 1 308.491 3.547 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H](CC)CSC)c1C ZINC000358742721 1030609925 /nfs/dbraw/zinc/60/99/25/1030609925.db2.gz GHOXPNUFHXRKJW-OAHLLOKOSA-N 1 1 308.491 3.547 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCc4c(F)cccc4C3)cc2)CC1 ZINC000824767690 1030628610 /nfs/dbraw/zinc/62/86/10/1030628610.db2.gz AGNBTVJIDPDPRB-UHFFFAOYSA-N 1 1 306.384 3.939 20 30 DHEDMO C=CCCCC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000246874060 1030657369 /nfs/dbraw/zinc/65/73/69/1030657369.db2.gz MLFSBICGTMXCQN-PBHICJAKSA-N 1 1 306.475 3.604 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000824942325 1030677865 /nfs/dbraw/zinc/67/78/65/1030677865.db2.gz YIKDEGJCJJPBTF-WOJBJXKFSA-N 1 1 309.457 3.657 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCOCC23CCCCC3)cc1 ZINC000825098233 1030709731 /nfs/dbraw/zinc/70/97/31/1030709731.db2.gz DJPNMVBLBBBXAS-MRXNPFEDSA-N 1 1 314.429 3.513 20 30 DHEDMO CC[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1cccc(C#N)c1O ZINC000926598520 1030818660 /nfs/dbraw/zinc/81/86/60/1030818660.db2.gz NFAWHMHFPJMTOC-QZTJIDSGSA-N 1 1 308.381 3.576 20 30 DHEDMO N#CC1(C[NH2+][C@H]2CCCc3ncc(Br)cc32)CCC1 ZINC000926628813 1030828067 /nfs/dbraw/zinc/82/80/67/1030828067.db2.gz YYOUUYUYZHRERD-AWEZNQCLSA-N 1 1 320.234 3.505 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1c(C)cc(OC)nc1C ZINC000359218175 1030847338 /nfs/dbraw/zinc/84/73/38/1030847338.db2.gz CYDOBFYFVUTHBU-UHFFFAOYSA-N 1 1 321.424 3.767 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1c(C)cc(OC)nc1C ZINC000359218175 1030847356 /nfs/dbraw/zinc/84/73/56/1030847356.db2.gz CYDOBFYFVUTHBU-UHFFFAOYSA-N 1 1 321.424 3.767 20 30 DHEDMO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000614924922 1030854569 /nfs/dbraw/zinc/85/45/69/1030854569.db2.gz PELHRDJFESGZEH-WFASDCNBSA-N 1 1 312.335 3.663 20 30 DHEDMO C#CC[N@H+](Cc1cccc(OC)c1O)[C@@H]1CCc2ccccc21 ZINC000179203459 1030858971 /nfs/dbraw/zinc/85/89/71/1030858971.db2.gz AGMAINGNQWJNKE-GOSISDBHSA-N 1 1 307.393 3.524 20 30 DHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccnn1CC1CCC1 ZINC000926712866 1030877980 /nfs/dbraw/zinc/87/79/80/1030877980.db2.gz OHCOLJYSCBQZGO-HNNXBMFYSA-N 1 1 300.450 3.808 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC(C)=O)cc1)Cc1cccc(C#N)c1 ZINC000122943645 1030923088 /nfs/dbraw/zinc/92/30/88/1030923088.db2.gz WCSDEIABPSWRMB-UHFFFAOYSA-N 1 1 320.392 3.672 20 30 DHEDMO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001143726100 1030934288 /nfs/dbraw/zinc/93/42/88/1030934288.db2.gz GDOXOJUIFHHWQS-MRXNPFEDSA-N 1 1 311.816 3.814 20 30 DHEDMO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001143726100 1030934305 /nfs/dbraw/zinc/93/43/05/1030934305.db2.gz GDOXOJUIFHHWQS-MRXNPFEDSA-N 1 1 311.816 3.814 20 30 DHEDMO N#Cc1cccc(Cl)c1C[NH+]1CCC(c2ccccn2)CC1 ZINC001143726319 1030934773 /nfs/dbraw/zinc/93/47/73/1030934773.db2.gz MDNVIWNBGNYBMI-UHFFFAOYSA-N 1 1 311.816 3.986 20 30 DHEDMO C=CCC1(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CCC1 ZINC000359433092 1030965570 /nfs/dbraw/zinc/96/55/70/1030965570.db2.gz VSBLNDRMPDPWHG-IXDOHACOSA-N 1 1 304.478 3.597 20 30 DHEDMO N#Cc1cccc(CNC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000237846383 1031039426 /nfs/dbraw/zinc/03/94/26/1031039426.db2.gz NWFCJBPBNOEDMI-FQEVSTJZSA-N 1 1 311.473 3.693 20 30 DHEDMO N#Cc1cccc(C[NH2+]C[C@@H]2CCCN2CC2CCCCC2)c1 ZINC000237846383 1031039442 /nfs/dbraw/zinc/03/94/42/1031039442.db2.gz NWFCJBPBNOEDMI-FQEVSTJZSA-N 1 1 311.473 3.693 20 30 DHEDMO CC[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1cccc(C#N)c1O ZINC000927062879 1031062607 /nfs/dbraw/zinc/06/26/07/1031062607.db2.gz PKQBWDXPSKZNRF-SJORKVTESA-N 1 1 307.397 3.777 20 30 DHEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370497 1031073723 /nfs/dbraw/zinc/07/37/23/1031073723.db2.gz HLQKFVDUJPPEKL-YCRPNKLZSA-N 1 1 320.436 3.773 20 30 DHEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CCC1 ZINC000359849355 1031162790 /nfs/dbraw/zinc/16/27/90/1031162790.db2.gz YZSVLCMIHMLLFV-WMZOPIPTSA-N 1 1 312.457 3.512 20 30 DHEDMO Cc1nc(NCCCC[N@@H+]2CCCC[C@H]2C)c(Cl)cc1C#N ZINC000359893486 1031185391 /nfs/dbraw/zinc/18/53/91/1031185391.db2.gz CSCALCHWATUIGZ-CYBMUJFWSA-N 1 1 320.868 3.982 20 30 DHEDMO COc1cccc([C@H]2CCCC[N@@H+]2Cc2cncc(C#N)c2)c1 ZINC001144079114 1031230910 /nfs/dbraw/zinc/23/09/10/1031230910.db2.gz BIUDXAAUJVOSIK-LJQANCHMSA-N 1 1 307.397 3.689 20 30 DHEDMO COc1cccc([C@H]2CCCC[N@H+]2Cc2cncc(C#N)c2)c1 ZINC001144079114 1031230919 /nfs/dbraw/zinc/23/09/19/1031230919.db2.gz BIUDXAAUJVOSIK-LJQANCHMSA-N 1 1 307.397 3.689 20 30 DHEDMO C[C@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1cccc(C#N)c1 ZINC000359993082 1031233701 /nfs/dbraw/zinc/23/37/01/1031233701.db2.gz LOSUCHZWCJTKLJ-LBPRGKRZSA-N 1 1 324.815 3.949 20 30 DHEDMO C=CCCCCCN(C)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000455643640 1031261072 /nfs/dbraw/zinc/26/10/72/1031261072.db2.gz NYJJSHNDWSLUKJ-UHFFFAOYSA-N 1 1 300.406 3.853 20 30 DHEDMO C#CC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)c1ccccc1 ZINC000273497234 1031280310 /nfs/dbraw/zinc/28/03/10/1031280310.db2.gz PKGANDRAACULLW-KBXCAEBGSA-N 1 1 323.392 3.594 20 30 DHEDMO COc1cc(C=NOCc2c(C)cc(C)[nH+]c2C)cc(OC)c1 ZINC000871749047 1031300972 /nfs/dbraw/zinc/30/09/72/1031300972.db2.gz MQQKPFGTYCAUBX-UHFFFAOYSA-N 1 1 314.385 3.575 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](OC(C)C)C2)c(O)c(OC)c1 ZINC000844721799 1031305173 /nfs/dbraw/zinc/30/51/73/1031305173.db2.gz XOFQMYIVSPSDPW-QGZVFWFLSA-N 1 1 319.445 3.519 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1O ZINC000844747007 1031314738 /nfs/dbraw/zinc/31/47/38/1031314738.db2.gz RJEFNPQLSZMTTH-QGZVFWFLSA-N 1 1 323.383 3.751 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000536669382 1031368336 /nfs/dbraw/zinc/36/83/36/1031368336.db2.gz ADFITDAIMUGGCP-UXHICEINSA-N 1 1 318.420 3.893 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000536669382 1031368343 /nfs/dbraw/zinc/36/83/43/1031368343.db2.gz ADFITDAIMUGGCP-UXHICEINSA-N 1 1 318.420 3.893 20 30 DHEDMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000872095068 1031490332 /nfs/dbraw/zinc/49/03/32/1031490332.db2.gz KURIHGVPUJVKMM-ZYSHUDEJSA-N 1 1 315.436 3.587 20 30 DHEDMO N#Cc1ccc(C[N@@H+](CCSc2ccncc2)C2CC2)cc1 ZINC000929368345 1031505238 /nfs/dbraw/zinc/50/52/38/1031505238.db2.gz YXTNZJYXAQBAKK-UHFFFAOYSA-N 1 1 309.438 3.710 20 30 DHEDMO COC(=O)c1cccc(C[NH2+]C(C)(C)c2cccc(C)c2)c1C#N ZINC000537114533 1031511473 /nfs/dbraw/zinc/51/14/73/1031511473.db2.gz WKPXRQDBCCIOCZ-UHFFFAOYSA-N 1 1 322.408 3.678 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCC[C@H]2CN2CCCCC2)CCC1 ZINC000929491773 1031531460 /nfs/dbraw/zinc/53/14/60/1031531460.db2.gz ISUSBJYSZQXNKX-SFHVURJKSA-N 1 1 303.494 3.801 20 30 DHEDMO N#CC1(CCCCN2CCC[C@H]2C[NH+]2CCCCC2)CCC1 ZINC000929491773 1031531471 /nfs/dbraw/zinc/53/14/71/1031531471.db2.gz ISUSBJYSZQXNKX-SFHVURJKSA-N 1 1 303.494 3.801 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(OC(C)C)cc2)no1 ZINC000872176550 1031550926 /nfs/dbraw/zinc/55/09/26/1031550926.db2.gz SEVDSSVVOMKGCH-ZDUSSCGKSA-N 1 1 307.781 3.666 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433232593 1031562627 /nfs/dbraw/zinc/56/26/27/1031562627.db2.gz CJUMETPLAYYHNL-CYBMUJFWSA-N 1 1 324.827 3.500 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433232593 1031562636 /nfs/dbraw/zinc/56/26/36/1031562636.db2.gz CJUMETPLAYYHNL-CYBMUJFWSA-N 1 1 324.827 3.500 20 30 DHEDMO CN1C[C@@H]2C[N@H+](CC(C)(C)CCC#N)C[C@@H]2[C@H]1c1ccccc1 ZINC000360790282 1031564554 /nfs/dbraw/zinc/56/45/54/1031564554.db2.gz DJWHGYRADHKFPC-CEXWTWQISA-N 1 1 311.473 3.551 20 30 DHEDMO CN1C[C@@H]2C[N@@H+](CC(C)(C)CCC#N)C[C@@H]2[C@H]1c1ccccc1 ZINC000360790282 1031564565 /nfs/dbraw/zinc/56/45/65/1031564565.db2.gz DJWHGYRADHKFPC-CEXWTWQISA-N 1 1 311.473 3.551 20 30 DHEDMO CC1CCC(N2CC[NH+](CC3CCC(C#N)CC3)CC2)CC1 ZINC000929658551 1031569445 /nfs/dbraw/zinc/56/94/45/1031569445.db2.gz BHAYRZIUICMKHI-UHFFFAOYSA-N 1 1 303.494 3.513 20 30 DHEDMO C[C@H]1SCC[N@H+](Cc2cncc(C#N)c2)[C@H]1c1ccccc1 ZINC000929674447 1031575400 /nfs/dbraw/zinc/57/54/00/1031575400.db2.gz KHSQTTIJAKGDMJ-RDTXWAMCSA-N 1 1 309.438 3.632 20 30 DHEDMO C[C@H]1SCC[N@@H+](Cc2cncc(C#N)c2)[C@H]1c1ccccc1 ZINC000929674447 1031575410 /nfs/dbraw/zinc/57/54/10/1031575410.db2.gz KHSQTTIJAKGDMJ-RDTXWAMCSA-N 1 1 309.438 3.632 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000360835368 1031581574 /nfs/dbraw/zinc/58/15/74/1031581574.db2.gz KRGYPTMUJBNFBC-NRFANRHFSA-N 1 1 323.484 3.790 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2NC1CC[NH+](CC2CC2)CC1 ZINC000360835368 1031581580 /nfs/dbraw/zinc/58/15/80/1031581580.db2.gz KRGYPTMUJBNFBC-NRFANRHFSA-N 1 1 323.484 3.790 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCN(CC2CC2)CC1 ZINC000360835369 1031582356 /nfs/dbraw/zinc/58/23/56/1031582356.db2.gz KRGYPTMUJBNFBC-OAQYLSRUSA-N 1 1 323.484 3.790 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2NC1CC[NH+](CC2CC2)CC1 ZINC000360835369 1031582369 /nfs/dbraw/zinc/58/23/69/1031582369.db2.gz KRGYPTMUJBNFBC-OAQYLSRUSA-N 1 1 323.484 3.790 20 30 DHEDMO N#CC1CCC(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)CC1 ZINC000929721157 1031587929 /nfs/dbraw/zinc/58/79/29/1031587929.db2.gz NTMJNANOTYYMEY-AFMYVXGZSA-N 1 1 312.457 3.855 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCSc1ccncc1 ZINC000929756958 1031600373 /nfs/dbraw/zinc/60/03/73/1031600373.db2.gz LXCRMQIJSHBPRZ-RBUKOAKNSA-N 1 1 323.465 3.945 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCSc1ccncc1 ZINC000929756958 1031600377 /nfs/dbraw/zinc/60/03/77/1031600377.db2.gz LXCRMQIJSHBPRZ-RBUKOAKNSA-N 1 1 323.465 3.945 20 30 DHEDMO CCc1ccc(CCC=[NH+]n2c(SC)nnc2SC)cc1 ZINC000872417824 1031605478 /nfs/dbraw/zinc/60/54/78/1031605478.db2.gz PYZDXCRFFJHQDU-UHFFFAOYSA-N 1 1 320.487 3.751 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000929929257 1031650337 /nfs/dbraw/zinc/65/03/37/1031650337.db2.gz GYOAUWVPWONJSH-WXDAQCLHSA-N 1 1 312.457 3.904 20 30 DHEDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000929974858 1031666975 /nfs/dbraw/zinc/66/69/75/1031666975.db2.gz JFNBVRFIYNWRIC-OAHLLOKOSA-N 1 1 323.481 3.696 20 30 DHEDMO CN(c1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388667467 1031667996 /nfs/dbraw/zinc/66/79/96/1031667996.db2.gz UFBNKWHAUWBTEN-HXUWFJFHSA-N 1 1 305.425 3.659 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@H+](Cc3coc4ccccc34)CCO2)cc1 ZINC000897595613 1031679057 /nfs/dbraw/zinc/67/90/57/1031679057.db2.gz DIPYWJWMAMYXNP-HXUWFJFHSA-N 1 1 318.376 3.878 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@@H+](Cc3coc4ccccc34)CCO2)cc1 ZINC000897595613 1031679060 /nfs/dbraw/zinc/67/90/60/1031679060.db2.gz DIPYWJWMAMYXNP-HXUWFJFHSA-N 1 1 318.376 3.878 20 30 DHEDMO Cc1scc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c1C ZINC000897597028 1031681093 /nfs/dbraw/zinc/68/10/93/1031681093.db2.gz YVJUGGQTXIRIFX-SFHVURJKSA-N 1 1 312.438 3.810 20 30 DHEDMO Cc1scc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c1C ZINC000897597028 1031681099 /nfs/dbraw/zinc/68/10/99/1031681099.db2.gz YVJUGGQTXIRIFX-SFHVURJKSA-N 1 1 312.438 3.810 20 30 DHEDMO N#CC1(CCCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000930060778 1031688320 /nfs/dbraw/zinc/68/83/20/1031688320.db2.gz LQJIPGVZZRCYHJ-IEBWSBKVSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CCC1 ZINC000930060778 1031688341 /nfs/dbraw/zinc/68/83/41/1031688341.db2.gz LQJIPGVZZRCYHJ-IEBWSBKVSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CCCC[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CCC1 ZINC000930060778 1031688346 /nfs/dbraw/zinc/68/83/46/1031688346.db2.gz LQJIPGVZZRCYHJ-IEBWSBKVSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CCCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000930060778 1031688357 /nfs/dbraw/zinc/68/83/57/1031688357.db2.gz LQJIPGVZZRCYHJ-IEBWSBKVSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CCCCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000930060778 1031688365 /nfs/dbraw/zinc/68/83/65/1031688365.db2.gz LQJIPGVZZRCYHJ-IEBWSBKVSA-N 1 1 315.505 3.799 20 30 DHEDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000930067092 1031691859 /nfs/dbraw/zinc/69/18/59/1031691859.db2.gz UQTHOSNLOHFLDM-MRXNPFEDSA-N 1 1 300.450 3.593 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(C(=O)OC)c2)cc1 ZINC001144581269 1031717839 /nfs/dbraw/zinc/71/78/39/1031717839.db2.gz NZRVGZXMRZUBQV-HXUWFJFHSA-N 1 1 319.404 3.792 20 30 DHEDMO C[C@@H]1C[C@H](C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000930158528 1031718627 /nfs/dbraw/zinc/71/86/27/1031718627.db2.gz MPYWOBIIWRQRNZ-VQFNDLOPSA-N 1 1 310.441 3.851 20 30 DHEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1ccccc1OCC(F)F ZINC000897624361 1031747157 /nfs/dbraw/zinc/74/71/57/1031747157.db2.gz IUOUDWAIWHCZHP-UHFFFAOYSA-N 1 1 322.380 3.896 20 30 DHEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1OCC(F)F ZINC000897624361 1031747171 /nfs/dbraw/zinc/74/71/71/1031747171.db2.gz IUOUDWAIWHCZHP-UHFFFAOYSA-N 1 1 322.380 3.896 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2nccnc2C)cc1Cl ZINC000873187568 1031749234 /nfs/dbraw/zinc/74/92/34/1031749234.db2.gz WLZUGGBPKIOVEF-ZDUSSCGKSA-N 1 1 317.820 3.854 20 30 DHEDMO C[C@H]1CCC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000026470150 1031768260 /nfs/dbraw/zinc/76/82/60/1031768260.db2.gz DWUWWTURGVNOJM-WFASDCNBSA-N 1 1 319.836 3.661 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@H+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171203682 1031789122 /nfs/dbraw/zinc/78/91/22/1031789122.db2.gz OVQIVPCOVIBWDB-VQIMIIECSA-N 1 1 320.436 3.987 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001171203967 1031789974 /nfs/dbraw/zinc/78/99/74/1031789974.db2.gz QXEYAZYYDMVUKK-NILFDRSVSA-N 1 1 314.326 3.569 20 30 DHEDMO COCC1(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)CCC1 ZINC000361298193 1031841850 /nfs/dbraw/zinc/84/18/50/1031841850.db2.gz WFUQCLUYSKBANM-UHFFFAOYSA-N 1 1 300.446 3.833 20 30 DHEDMO N#CC1(CCCC[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CCC1 ZINC000930521042 1031858269 /nfs/dbraw/zinc/85/82/69/1031858269.db2.gz HSZMRPOUKIPHFK-SJORKVTESA-N 1 1 302.462 3.884 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1cncc(-c2cc(F)ccc2OC)c1 ZINC000930692454 1031918173 /nfs/dbraw/zinc/91/81/73/1031918173.db2.gz GGQZGQHRKDJICI-MRXNPFEDSA-N 1 1 313.376 3.678 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000930703063 1031921420 /nfs/dbraw/zinc/92/14/20/1031921420.db2.gz KZHAHOKMYQYSIW-ZWKOTPCHSA-N 1 1 318.848 3.585 20 30 DHEDMO C=CCc1cc(C)c[nH+]c1NCCC1CCC2(CC1)OCCO2 ZINC001171220334 1031948372 /nfs/dbraw/zinc/94/83/72/1031948372.db2.gz IQTZZOFFLNGOQF-UHFFFAOYSA-N 1 1 316.445 3.854 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC1CCC1 ZINC000361482229 1031948890 /nfs/dbraw/zinc/94/88/90/1031948890.db2.gz VZTXSLGGIFYIBT-UHFFFAOYSA-N 1 1 319.836 3.662 20 30 DHEDMO C[C@]1(Cc2ccccc2F)CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000930817884 1031960281 /nfs/dbraw/zinc/96/02/81/1031960281.db2.gz ZWWAQIVZNZCGAI-LJQANCHMSA-N 1 1 309.388 3.690 20 30 DHEDMO N#Cc1cccc2c1C[N@@H+](C1CC(OCc3ccccc3)C1)C2 ZINC000930867504 1031968008 /nfs/dbraw/zinc/96/80/08/1031968008.db2.gz QPGMMBUUFQHUEV-UHFFFAOYSA-N 1 1 304.393 3.622 20 30 DHEDMO N#Cc1cccc2c1C[N@H+](C1CC(OCc3ccccc3)C1)C2 ZINC000930867504 1031968023 /nfs/dbraw/zinc/96/80/23/1031968023.db2.gz QPGMMBUUFQHUEV-UHFFFAOYSA-N 1 1 304.393 3.622 20 30 DHEDMO Cc1cccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1Br ZINC000930923108 1031985782 /nfs/dbraw/zinc/98/57/82/1031985782.db2.gz GTWVXPSWIVAMQP-ZDUSSCGKSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1Br ZINC000930923108 1031985795 /nfs/dbraw/zinc/98/57/95/1031985795.db2.gz GTWVXPSWIVAMQP-ZDUSSCGKSA-N 1 1 307.235 3.883 20 30 DHEDMO COc1ccc(CC[N@@H+](C)[C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171225215 1031980873 /nfs/dbraw/zinc/98/08/73/1031980873.db2.gz YREBRIVGWLICOW-INIZCTEOSA-N 1 1 308.425 3.672 20 30 DHEDMO CC(C)(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000361552017 1031983766 /nfs/dbraw/zinc/98/37/66/1031983766.db2.gz YTJDDIGVYIGFEX-AWEZNQCLSA-N 1 1 319.474 3.706 20 30 DHEDMO COc1cccc(C[N@@H+](C)[C@@H](C)Cc2cccc(C#N)c2)c1OC ZINC001171229721 1031990913 /nfs/dbraw/zinc/99/09/13/1031990913.db2.gz QKXAGTRYCFUZKL-HNNXBMFYSA-N 1 1 324.424 3.638 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC000361572476 1031994148 /nfs/dbraw/zinc/99/41/48/1031994148.db2.gz DRIFDRZSNNIMTD-UHFFFAOYSA-N 1 1 304.393 3.506 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001171230731 1031998593 /nfs/dbraw/zinc/99/85/93/1031998593.db2.gz GJKZIBAKTDHYNW-QRWLVFNGSA-N 1 1 324.399 3.702 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001171230731 1031998608 /nfs/dbraw/zinc/99/86/08/1031998608.db2.gz GJKZIBAKTDHYNW-QRWLVFNGSA-N 1 1 324.399 3.702 20 30 DHEDMO C[C@H](C#N)C[N@H+](Cc1ccc(OCc2ccncc2)cc1)C1CC1 ZINC000338345474 1033328696 /nfs/dbraw/zinc/32/86/96/1033328696.db2.gz CSBLVDXDGROYFN-MRXNPFEDSA-N 1 1 321.424 3.785 20 30 DHEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)C1CC1 ZINC000338345474 1033328704 /nfs/dbraw/zinc/32/87/04/1033328704.db2.gz CSBLVDXDGROYFN-MRXNPFEDSA-N 1 1 321.424 3.785 20 30 DHEDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)cn1 ZINC001137121417 1033328996 /nfs/dbraw/zinc/32/89/96/1033328996.db2.gz KMJFUATVFJXBJB-IBGZPJMESA-N 1 1 307.397 3.630 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[N@@H+](C[C@H](C)C#N)C3CC3)cc2)n1 ZINC000338360548 1033332338 /nfs/dbraw/zinc/33/23/38/1033332338.db2.gz PZZDKLJXPJNMJE-CQSZACIVSA-N 1 1 308.429 3.613 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[N@H+](C[C@H](C)C#N)C3CC3)cc2)n1 ZINC000338360548 1033332349 /nfs/dbraw/zinc/33/23/49/1033332349.db2.gz PZZDKLJXPJNMJE-CQSZACIVSA-N 1 1 308.429 3.613 20 30 DHEDMO C=CC[N@@H+](CCC(=O)N1CCc2ccccc21)Cc1ccccc1 ZINC000338383933 1033335650 /nfs/dbraw/zinc/33/56/50/1033335650.db2.gz FIAWIMROPYXPSA-UHFFFAOYSA-N 1 1 320.436 3.654 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000539390038 1033344365 /nfs/dbraw/zinc/34/43/65/1033344365.db2.gz XMVZHTFWPIDCAL-IAGOWNOFSA-N 1 1 309.498 3.685 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCSc3ccccc3C2)cc1 ZINC001137122505 1033363387 /nfs/dbraw/zinc/36/33/87/1033363387.db2.gz DWWWFFWUGAFHMD-UHFFFAOYSA-N 1 1 310.422 3.697 20 30 DHEDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(OCC#N)cc1)CCC2 ZINC001137122479 1033364411 /nfs/dbraw/zinc/36/44/11/1033364411.db2.gz CKGJFUKKTJIVNH-UHFFFAOYSA-N 1 1 322.408 3.546 20 30 DHEDMO Cc1ccc2c(c1)C[C@H]([N@H+](CCC#N)Cc1cccnc1)CC2 ZINC001172827011 1033390686 /nfs/dbraw/zinc/39/06/86/1033390686.db2.gz IJJBQIMPYRIVPY-HXUWFJFHSA-N 1 1 305.425 3.663 20 30 DHEDMO Cc1ccc2c(c1)C[C@H]([N@@H+](CCC#N)Cc1cccnc1)CC2 ZINC001172827011 1033390699 /nfs/dbraw/zinc/39/06/99/1033390699.db2.gz IJJBQIMPYRIVPY-HXUWFJFHSA-N 1 1 305.425 3.663 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)cc1 ZINC000877703838 1033417226 /nfs/dbraw/zinc/41/72/26/1033417226.db2.gz FJPCLFFFCJDXKR-MRXNPFEDSA-N 1 1 319.408 3.524 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1CCOc2ccccc21 ZINC000877703625 1033418638 /nfs/dbraw/zinc/41/86/38/1033418638.db2.gz BKIAVXGBJBXOCG-GOSISDBHSA-N 1 1 306.409 3.599 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000877906274 1033508845 /nfs/dbraw/zinc/50/88/45/1033508845.db2.gz MIDOQGNMQVJFSP-HXUWFJFHSA-N 1 1 324.399 3.698 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000877906274 1033508849 /nfs/dbraw/zinc/50/88/49/1033508849.db2.gz MIDOQGNMQVJFSP-HXUWFJFHSA-N 1 1 324.399 3.698 20 30 DHEDMO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001173088854 1033519159 /nfs/dbraw/zinc/51/91/59/1033519159.db2.gz RLTOPICDDZMCDL-JSGCOSHPSA-N 1 1 312.335 3.752 20 30 DHEDMO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H](C#N)C1 ZINC001173088854 1033519168 /nfs/dbraw/zinc/51/91/68/1033519168.db2.gz RLTOPICDDZMCDL-JSGCOSHPSA-N 1 1 312.335 3.752 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001173088130 1033519589 /nfs/dbraw/zinc/51/95/89/1033519589.db2.gz PVRSIHYCLWWWRU-UONOGXRCSA-N 1 1 311.347 3.861 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1ccc(C)cc1)c1ccccc1 ZINC000877931941 1033521632 /nfs/dbraw/zinc/52/16/32/1033521632.db2.gz IMLIWVFPIUKUTL-OAQYLSRUSA-N 1 1 320.436 3.868 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@H](C)C(C)(C)C)c1ccccc1 ZINC000877953362 1033527505 /nfs/dbraw/zinc/52/75/05/1033527505.db2.gz LKMZDBQJONTMJE-DNVCBOLYSA-N 1 1 300.446 3.793 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153271487 1033568449 /nfs/dbraw/zinc/56/84/49/1033568449.db2.gz UIFAKDISSIJCKW-UHFFFAOYSA-N 1 1 301.390 3.889 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@H]2CCC[C@H]21)c1ccccc1 ZINC000878133857 1033591621 /nfs/dbraw/zinc/59/16/21/1033591621.db2.gz OBZFGKFUMDEFEN-MISYRCLQSA-N 1 1 310.441 3.692 20 30 DHEDMO CCC[C@H]1CCC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878186196 1033614077 /nfs/dbraw/zinc/61/40/77/1033614077.db2.gz HBBALHGZPCBTSL-ICSRJNTNSA-N 1 1 312.457 3.939 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CC[C@H](CC)C1)CC2 ZINC001173273802 1033642644 /nfs/dbraw/zinc/64/26/44/1033642644.db2.gz BQQRSVLXQPTJNP-LNLFQRSKSA-N 1 1 304.478 3.598 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC2)cc1 ZINC000878334034 1033660526 /nfs/dbraw/zinc/66/05/26/1033660526.db2.gz MEJPRWCFCLKSNE-SLFFLAALSA-N 1 1 308.425 3.605 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](C)C2(CCC2)C1)c1ccccc1 ZINC000878337099 1033662547 /nfs/dbraw/zinc/66/25/47/1033662547.db2.gz BVIGHUXRNOXORC-LAUBAEHRSA-N 1 1 324.468 3.939 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CC[C@@H](CC)C1)[C@@H]2CC ZINC001173281780 1033672456 /nfs/dbraw/zinc/67/24/56/1033672456.db2.gz ZEKUXQKGOQYUEI-RMJJICAUSA-N 1 1 318.505 3.987 20 30 DHEDMO CCCCCCCCC[C@H](CCC)[NH2+]Cc1noc(C(N)=O)n1 ZINC001173284417 1033677781 /nfs/dbraw/zinc/67/77/81/1033677781.db2.gz GBOSDOBJESXCHU-AWEZNQCLSA-N 1 1 324.469 3.568 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC001173325936 1033685274 /nfs/dbraw/zinc/68/52/74/1033685274.db2.gz UFEWJNMCMSFPPT-FAFZWHIHSA-N 1 1 319.420 3.793 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC001173327038 1033688349 /nfs/dbraw/zinc/68/83/49/1033688349.db2.gz BVBQKXBOSZBGET-JLAWEPINSA-N 1 1 300.446 3.602 20 30 DHEDMO C=CCOC1CCC([NH+]2CC(Oc3ccc(F)c(F)c3)C2)CC1 ZINC001173327805 1033688899 /nfs/dbraw/zinc/68/88/99/1033688899.db2.gz SRGQVXUCEKMPJC-UHFFFAOYSA-N 1 1 323.383 3.542 20 30 DHEDMO C[N@@H+](CCCCNC(=O)OC(C)(C)C)C1CCC(CC#N)CC1 ZINC001173336690 1033691037 /nfs/dbraw/zinc/69/10/37/1033691037.db2.gz IULAVSXQSQCNMM-UHFFFAOYSA-N 1 1 323.481 3.696 20 30 DHEDMO N#CCC1CCC([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)CC1 ZINC001173332817 1033692089 /nfs/dbraw/zinc/69/20/89/1033692089.db2.gz GNIYRZASFINEND-IIJMLMANSA-N 1 1 316.489 3.986 20 30 DHEDMO N#CCC1CCC([N@@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)CC1 ZINC001173339502 1033695356 /nfs/dbraw/zinc/69/53/56/1033695356.db2.gz QIMLJCWEDGWKII-YXIVMFJDSA-N 1 1 323.484 3.665 20 30 DHEDMO Cc1cccnc1O[C@H]1CCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173341211 1033695957 /nfs/dbraw/zinc/69/59/57/1033695957.db2.gz SCXHPYGTHWNDSO-ABHNRTSZSA-N 1 1 313.445 3.706 20 30 DHEDMO C=CCOC1CCC([N@H+](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC001173320250 1033714994 /nfs/dbraw/zinc/71/49/94/1033714994.db2.gz JWRZQWUZNPBGGX-UHFFFAOYSA-N 1 1 319.445 3.649 20 30 DHEDMO C=CC[C@H]1[N@H+](C[C@@H]2CCC3(CCOCC3)O2)CCCC1(C)C ZINC000878515843 1033733405 /nfs/dbraw/zinc/73/34/05/1033733405.db2.gz JLPHDWKBJYCCAV-DLBZAZTESA-N 1 1 307.478 3.781 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+](CC1CC1)CC1CCC1)c1ccccc1 ZINC000878544181 1033744596 /nfs/dbraw/zinc/74/45/96/1033744596.db2.gz NQSSSMVYTWSROJ-NRFANRHFSA-N 1 1 324.468 3.939 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+](CC1CC1)CC1CCC1)c1ccccc1 ZINC000878544182 1033745521 /nfs/dbraw/zinc/74/55/21/1033745521.db2.gz NQSSSMVYTWSROJ-OAQYLSRUSA-N 1 1 324.468 3.939 20 30 DHEDMO CCOC(=O)[C@]1(C)CCCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173594234 1033782216 /nfs/dbraw/zinc/78/22/16/1033782216.db2.gz WAXNRAVTLOCXLS-VMWRSERWSA-N 1 1 306.450 3.514 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC001173596843 1033783557 /nfs/dbraw/zinc/78/35/57/1033783557.db2.gz FRJLVKFOBTUTKL-IIIMJFFVSA-N 1 1 302.393 3.751 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCc3nn(-c4ccccc4)cc3C2)CC1 ZINC001173598963 1033784119 /nfs/dbraw/zinc/78/41/19/1033784119.db2.gz XDUFLWNNUURRRI-UHFFFAOYSA-N 1 1 320.440 3.703 20 30 DHEDMO Cc1cccnc1O[C@H]1CCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596743 1033784544 /nfs/dbraw/zinc/78/45/44/1033784544.db2.gz CEMQYBWPTLHUQU-HFCFLWKCSA-N 1 1 313.445 3.706 20 30 DHEDMO CC1(C#N)CCC([NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173600307 1033788239 /nfs/dbraw/zinc/78/82/39/1033788239.db2.gz YZZKVWAPGGNDMR-IKJYFWGWSA-N 1 1 323.484 3.523 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000878757626 1033821098 /nfs/dbraw/zinc/82/10/98/1033821098.db2.gz QMKCOLQYERDQCC-IHPCNDPISA-N 1 1 310.441 3.692 20 30 DHEDMO C#CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cccc2Cl)C1 ZINC000878759752 1033823301 /nfs/dbraw/zinc/82/33/01/1033823301.db2.gz ADNHQTGNUNOLSG-GJZGRUSLSA-N 1 1 318.848 3.711 20 30 DHEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2Cl)C1 ZINC000878759752 1033823308 /nfs/dbraw/zinc/82/33/08/1033823308.db2.gz ADNHQTGNUNOLSG-GJZGRUSLSA-N 1 1 318.848 3.711 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000862445563 1033858574 /nfs/dbraw/zinc/85/85/74/1033858574.db2.gz XATDHFLKPBPXNL-OAHLLOKOSA-N 1 1 312.438 3.567 20 30 DHEDMO C#CC[C@@H]1CC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000862445563 1033858589 /nfs/dbraw/zinc/85/85/89/1033858589.db2.gz XATDHFLKPBPXNL-OAHLLOKOSA-N 1 1 312.438 3.567 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878915253 1033864790 /nfs/dbraw/zinc/86/47/90/1033864790.db2.gz RMNYKOWWUFHYQR-QUCCMNQESA-N 1 1 310.441 3.715 20 30 DHEDMO CC(=O)Oc1ccc(C2CCC([N@@H+]3CCC[C@H]3C#N)CC2)cc1 ZINC001173792961 1033866510 /nfs/dbraw/zinc/86/65/10/1033866510.db2.gz MFARTBLNQUFLMV-VJFUWPCTSA-N 1 1 312.413 3.626 20 30 DHEDMO CC(=O)Oc1ccc(C2CCC([N@H+]3CCC[C@H]3C#N)CC2)cc1 ZINC001173792961 1033866536 /nfs/dbraw/zinc/86/65/36/1033866536.db2.gz MFARTBLNQUFLMV-VJFUWPCTSA-N 1 1 312.413 3.626 20 30 DHEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000878951392 1033875500 /nfs/dbraw/zinc/87/55/00/1033875500.db2.gz JWIYUQKOWSOZAU-WMLDXEAASA-N 1 1 320.502 3.850 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC000862542754 1033883453 /nfs/dbraw/zinc/88/34/53/1033883453.db2.gz ZKPQMYTYFATOSQ-UHFFFAOYSA-N 1 1 312.800 3.670 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+](CCC1CC1)CC1CC1)c1ccccc1 ZINC000878996572 1033889321 /nfs/dbraw/zinc/88/93/21/1033889321.db2.gz UICSDTSXTSNGNV-OAQYLSRUSA-N 1 1 324.468 3.939 20 30 DHEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(Br)cc3)CC2)o1 ZINC000174344001 1033924065 /nfs/dbraw/zinc/92/40/65/1033924065.db2.gz BJNSOXPYBADKOY-UHFFFAOYSA-N 1 1 317.186 3.693 20 30 DHEDMO CC(=O)c1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1 ZINC001173894593 1033925918 /nfs/dbraw/zinc/92/59/18/1033925918.db2.gz TUFZIWLHMBJGFE-UHFFFAOYSA-N 1 1 311.410 3.554 20 30 DHEDMO COc1ccc(C[NH2+]C2(c3nccs3)CCCC2)cc1C#N ZINC000174402731 1033930667 /nfs/dbraw/zinc/93/06/67/1033930667.db2.gz YLEQIBKCTSJCRH-UHFFFAOYSA-N 1 1 313.426 3.582 20 30 DHEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CCCCC(C)(C)C#N ZINC000879226513 1033955955 /nfs/dbraw/zinc/95/59/55/1033955955.db2.gz PVYDUWCPJAWZPS-CABCVRRESA-N 1 1 323.481 3.694 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879245157 1033962547 /nfs/dbraw/zinc/96/25/47/1033962547.db2.gz IKPAFBZKDATNRV-ZWKOTPCHSA-N 1 1 300.446 3.904 20 30 DHEDMO C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000879308347 1033978623 /nfs/dbraw/zinc/97/86/23/1033978623.db2.gz AJBMGLFJDWBBSQ-HZPDHXFCSA-N 1 1 323.481 3.696 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)C1 ZINC000339050317 1033985927 /nfs/dbraw/zinc/98/59/27/1033985927.db2.gz BCMFIEZCJUAYIR-UMVBOHGHSA-N 1 1 313.376 3.839 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3Cc4ccccc43)CC2)cc1 ZINC000554241231 1034036229 /nfs/dbraw/zinc/03/62/29/1034036229.db2.gz GDHMQQVBZCFJBK-HXUWFJFHSA-N 1 1 300.405 3.987 20 30 DHEDMO COc1ccc([C@H]2C[N@@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)cc1 ZINC000879632834 1034064628 /nfs/dbraw/zinc/06/46/28/1034064628.db2.gz AQDWVHWIOIRTFT-FOIQADDNSA-N 1 1 322.408 3.701 20 30 DHEDMO COc1ccc([C@H]2C[N@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)cc1 ZINC000879632834 1034064644 /nfs/dbraw/zinc/06/46/44/1034064644.db2.gz AQDWVHWIOIRTFT-FOIQADDNSA-N 1 1 322.408 3.701 20 30 DHEDMO C#CC[N@H+](CCCCn1ccnc1C)[C@@H]1CCc2ccccc21 ZINC000119427756 1034074449 /nfs/dbraw/zinc/07/44/49/1034074449.db2.gz NWERXXBBZKPYAR-HXUWFJFHSA-N 1 1 307.441 3.594 20 30 DHEDMO CCCC(N)=[NH+]OCc1nc(-c2c(F)cccc2F)cs1 ZINC000128096208 1034166205 /nfs/dbraw/zinc/16/62/05/1034166205.db2.gz AJUCKJBIDJDYEZ-UHFFFAOYSA-N 1 1 311.357 3.677 20 30 DHEDMO CC(C)Oc1cccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000842154013 1034176527 /nfs/dbraw/zinc/17/65/27/1034176527.db2.gz QMVLAEOUPCLYGI-FQEVSTJZSA-N 1 1 324.424 3.511 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880059861 1034198042 /nfs/dbraw/zinc/19/80/42/1034198042.db2.gz KICWEQMBGPOGOP-LALPHHSUSA-N 1 1 312.335 3.661 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880316811 1034292027 /nfs/dbraw/zinc/29/20/27/1034292027.db2.gz HPFOGCCLNKVOLT-HNNXBMFYSA-N 1 1 311.454 3.934 20 30 DHEDMO CC(C)(C)OC(=O)N1CC[N@@H+](CCCCC#N)C2(CCC2)CC1 ZINC000880349133 1034303150 /nfs/dbraw/zinc/30/31/50/1034303150.db2.gz WPUBORWTEDVFHD-UHFFFAOYSA-N 1 1 321.465 3.546 20 30 DHEDMO N#Cc1ccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC001174395139 1034317201 /nfs/dbraw/zinc/31/72/01/1034317201.db2.gz RYUMPGJNRDNRQZ-UHFFFAOYSA-N 1 1 314.392 3.632 20 30 DHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1cc(C)cs1)C2 ZINC001137154410 1034344359 /nfs/dbraw/zinc/34/43/59/1034344359.db2.gz GPIFMAUXHOVMAJ-GOSISDBHSA-N 1 1 318.486 3.590 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182069441 1034350143 /nfs/dbraw/zinc/35/01/43/1034350143.db2.gz ASBKMNPVVKYVTP-SFHVURJKSA-N 1 1 318.436 3.670 20 30 DHEDMO CCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC1CC1 ZINC000183244213 1034366788 /nfs/dbraw/zinc/36/67/88/1034366788.db2.gz YKXAZIJOGUVEAZ-UHFFFAOYSA-N 1 1 308.429 3.581 20 30 DHEDMO Cc1csc(C[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)c1 ZINC001137158523 1034402373 /nfs/dbraw/zinc/40/23/73/1034402373.db2.gz WMSZQGJYQVEAEX-MRXNPFEDSA-N 1 1 312.438 3.972 20 30 DHEDMO Cn1cc([C@@H]([NH2+]Cc2ccc(Cl)cc2C#N)C(C)(C)C)cn1 ZINC000480865160 1034476737 /nfs/dbraw/zinc/47/67/37/1034476737.db2.gz JBYADRBSWIPKCD-MRXNPFEDSA-N 1 1 316.836 3.822 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)o1 ZINC000185675168 1034564561 /nfs/dbraw/zinc/56/45/61/1034564561.db2.gz DCLBOQGCUJRRDH-HNNXBMFYSA-N 1 1 302.399 3.696 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)o1 ZINC000185675168 1034564565 /nfs/dbraw/zinc/56/45/65/1034564565.db2.gz DCLBOQGCUJRRDH-HNNXBMFYSA-N 1 1 302.399 3.696 20 30 DHEDMO C#CC[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000773406591 1034605907 /nfs/dbraw/zinc/60/59/07/1034605907.db2.gz VHVHIMXACDQALG-HXUWFJFHSA-N 1 1 301.393 3.727 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2cnc3c(F)cccc3c2)CC1 ZINC000865454210 1034654361 /nfs/dbraw/zinc/65/43/61/1034654361.db2.gz UOYCQKZAYKGKAG-UHFFFAOYSA-N 1 1 313.420 3.504 20 30 DHEDMO C[C@H](C[N@@H+](C)Cc1ccc(Cl)cc1C#N)c1nccs1 ZINC000187482697 1034708920 /nfs/dbraw/zinc/70/89/20/1034708920.db2.gz BQRDTDDADUCXFZ-LLVKDONJSA-N 1 1 305.834 3.904 20 30 DHEDMO C=CCC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000188225511 1034743174 /nfs/dbraw/zinc/74/31/74/1034743174.db2.gz UEPAPJUVKGLTAO-UHOSZYNNSA-N 1 1 314.473 3.678 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000481321779 1034744367 /nfs/dbraw/zinc/74/43/67/1034744367.db2.gz RYCAUFGQJJATCH-LJQANCHMSA-N 1 1 318.436 3.681 20 30 DHEDMO COCc1csc(C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000600213006 1034806090 /nfs/dbraw/zinc/80/60/90/1034806090.db2.gz NZHNPZGWOWSPOF-UHFFFAOYSA-N 1 1 312.438 3.519 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1[N+](=O)[O-] ZINC000600214268 1034815353 /nfs/dbraw/zinc/81/53/53/1034815353.db2.gz OCROAEIMZPYYLO-UHFFFAOYSA-N 1 1 321.380 3.528 20 30 DHEDMO Cc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1[N+](=O)[O-] ZINC000600214268 1034815378 /nfs/dbraw/zinc/81/53/78/1034815378.db2.gz OCROAEIMZPYYLO-UHFFFAOYSA-N 1 1 321.380 3.528 20 30 DHEDMO CCC#C[C@@H](C)[N@H+]1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001175267742 1034913724 /nfs/dbraw/zinc/91/37/24/1034913724.db2.gz KDZGFYCYAYRVSV-CVEARBPZSA-N 1 1 308.466 3.558 20 30 DHEDMO N#CC1(C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000481715638 1034950008 /nfs/dbraw/zinc/95/00/08/1034950008.db2.gz IZAAZQKKHHGGIB-CQSZACIVSA-N 1 1 323.209 3.933 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000323607445 1035000737 /nfs/dbraw/zinc/00/07/37/1035000737.db2.gz AMJJRWKVSPCEFK-ZCNNSNEGSA-N 1 1 312.457 3.772 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2cccc3cccnc32)no1 ZINC000899994651 1035005366 /nfs/dbraw/zinc/00/53/66/1035005366.db2.gz KRHZFQYLWHNQEY-OAHLLOKOSA-N 1 1 308.385 3.565 20 30 DHEDMO N#Cc1cc(F)ccc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175507453 1035018672 /nfs/dbraw/zinc/01/86/72/1035018672.db2.gz VNZLVEFIRZFCIT-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO C[C@H](Cc1ccccc1)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000481986280 1035040766 /nfs/dbraw/zinc/04/07/66/1035040766.db2.gz SDJVTMAOWACLLG-UTKZUKDTSA-N 1 1 320.436 3.810 20 30 DHEDMO Cc1n[nH]c2ccc(Nc3sc4c(c3C#N)CC[N@H+](C)C4)cc12 ZINC001175696153 1035068744 /nfs/dbraw/zinc/06/87/44/1035068744.db2.gz UYXYCHLVZCPIGC-UHFFFAOYSA-N 1 1 323.425 3.536 20 30 DHEDMO Cc1[nH]nc2ccc(Nc3sc4c(c3C#N)CC[N@@H+](C)C4)cc12 ZINC001175696153 1035068748 /nfs/dbraw/zinc/06/87/48/1035068748.db2.gz UYXYCHLVZCPIGC-UHFFFAOYSA-N 1 1 323.425 3.536 20 30 DHEDMO Cc1[nH]nc2ccc(Nc3sc4c(c3C#N)CC[N@H+](C)C4)cc12 ZINC001175696153 1035068753 /nfs/dbraw/zinc/06/87/53/1035068753.db2.gz UYXYCHLVZCPIGC-UHFFFAOYSA-N 1 1 323.425 3.536 20 30 DHEDMO N#CCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000346746498 1035115349 /nfs/dbraw/zinc/11/53/49/1035115349.db2.gz JBANVZTZIVLRRP-UHFFFAOYSA-N 1 1 322.437 3.663 20 30 DHEDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000482560015 1035135632 /nfs/dbraw/zinc/13/56/32/1035135632.db2.gz SPHLQUZCEIGEHZ-KRWDZBQOSA-N 1 1 300.402 3.922 20 30 DHEDMO N#Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)ccc1C1CC1 ZINC001176011268 1035184105 /nfs/dbraw/zinc/18/41/05/1035184105.db2.gz UDRUQKBUHUXSOL-LJQANCHMSA-N 1 1 323.440 3.781 20 30 DHEDMO C=C(Br)C[N@@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC001176061635 1035198675 /nfs/dbraw/zinc/19/86/75/1035198675.db2.gz KRTNUFPQEGPCPU-AWEZNQCLSA-N 1 1 316.283 3.835 20 30 DHEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(OC(F)F)cc1 ZINC000160631205 1035216395 /nfs/dbraw/zinc/21/63/95/1035216395.db2.gz SVRVIAXNLPBWIX-UHFFFAOYSA-N 1 1 308.353 3.853 20 30 DHEDMO C#CCC[N@@H+]1CCC[C@]1(C)Cc1cccc(Br)c1 ZINC001176253392 1035237082 /nfs/dbraw/zinc/23/70/82/1035237082.db2.gz PQXZLGZGNOAZMA-MRXNPFEDSA-N 1 1 306.247 3.869 20 30 DHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483270845 1035249395 /nfs/dbraw/zinc/24/93/95/1035249395.db2.gz NTNUDKVRPCTJQD-SJORKVTESA-N 1 1 314.429 3.530 20 30 DHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483270845 1035249398 /nfs/dbraw/zinc/24/93/98/1035249398.db2.gz NTNUDKVRPCTJQD-SJORKVTESA-N 1 1 314.429 3.530 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1ccc(-c2cccc(F)c2F)o1 ZINC000483419507 1035267619 /nfs/dbraw/zinc/26/76/19/1035267619.db2.gz PUHCXEBFPXGFPK-UHFFFAOYSA-N 1 1 307.340 3.859 20 30 DHEDMO C#CC[N@@H+](Cc1cccnc1OC)[C@@H]1CCCc2ccccc21 ZINC001176451317 1035271483 /nfs/dbraw/zinc/27/14/83/1035271483.db2.gz AUXYWUMGTSWHKT-LJQANCHMSA-N 1 1 306.409 3.603 20 30 DHEDMO C#CC[N@H+](Cc1cccnc1OC)[C@@H]1CCCc2ccccc21 ZINC001176451317 1035271490 /nfs/dbraw/zinc/27/14/90/1035271490.db2.gz AUXYWUMGTSWHKT-LJQANCHMSA-N 1 1 306.409 3.603 20 30 DHEDMO C[N@@H+](CC#Cc1ccccc1)Cc1ccc(OC(F)F)cc1 ZINC000483538935 1035278534 /nfs/dbraw/zinc/27/85/34/1035278534.db2.gz AMFUJJVAOQNNIY-UHFFFAOYSA-N 1 1 301.336 3.772 20 30 DHEDMO N#Cc1cc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)ccc1F ZINC000160981319 1035279786 /nfs/dbraw/zinc/27/97/86/1035279786.db2.gz IUCGIOQPTUHTMH-LJQANCHMSA-N 1 1 324.399 3.879 20 30 DHEDMO C=CCCCC[N@H+]1CCCN(Cc2ccccc2)CCOCC1 ZINC001176495368 1035280042 /nfs/dbraw/zinc/28/00/42/1035280042.db2.gz IAVOEJLTFQQIML-UHFFFAOYSA-N 1 1 316.489 3.567 20 30 DHEDMO Cc1[nH+]ccn1Cc1ccc(Nc2ccc(F)c(C#N)c2)cc1 ZINC001176615624 1035301413 /nfs/dbraw/zinc/30/14/13/1035301413.db2.gz MGTAQTGPDDLCBA-UHFFFAOYSA-N 1 1 306.344 3.994 20 30 DHEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001176771266 1035329953 /nfs/dbraw/zinc/32/99/53/1035329953.db2.gz JKAYQZUGFGZJDK-CVEARBPZSA-N 1 1 308.466 3.674 20 30 DHEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1sncc1Br ZINC001176771650 1035330486 /nfs/dbraw/zinc/33/04/86/1035330486.db2.gz PXYBAUZKRVYEGP-SNVBAGLBSA-N 1 1 301.253 3.836 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001176816011 1035331442 /nfs/dbraw/zinc/33/14/42/1035331442.db2.gz ZKKKMSLHZAHFNL-BBRMVZONSA-N 1 1 306.837 3.510 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001176927313 1035337109 /nfs/dbraw/zinc/33/71/09/1035337109.db2.gz QTWFWACLTUCANY-IAGOWNOFSA-N 1 1 304.821 3.745 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001176927313 1035337114 /nfs/dbraw/zinc/33/71/14/1035337114.db2.gz QTWFWACLTUCANY-IAGOWNOFSA-N 1 1 304.821 3.745 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](CNCc1cc(F)ccc1F)C(C)C ZINC001177221791 1035357290 /nfs/dbraw/zinc/35/72/90/1035357290.db2.gz BEPHUCZPIQTRNQ-GOSISDBHSA-N 1 1 308.416 3.753 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H](C)c2cccc(OC)c2)no1 ZINC000904581758 1035427212 /nfs/dbraw/zinc/42/72/12/1035427212.db2.gz HFZKPAQLGNIWKP-IUODEOHRSA-N 1 1 301.390 3.586 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2c(C)[nH]c3ccccc32)no1 ZINC000904589976 1035427954 /nfs/dbraw/zinc/42/79/54/1035427954.db2.gz QXLMWJSKOAZLOF-HNNXBMFYSA-N 1 1 310.401 3.806 20 30 DHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(CC2CCOCC2)no1 ZINC000904598066 1035433528 /nfs/dbraw/zinc/43/35/28/1035433528.db2.gz MROBNPJBMAORNG-OAHLLOKOSA-N 1 1 309.454 3.789 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(OCC)c(F)c2)no1 ZINC000904708103 1035446267 /nfs/dbraw/zinc/44/62/67/1035446267.db2.gz MBJWUSIFXRKGND-CYBMUJFWSA-N 1 1 305.353 3.631 20 30 DHEDMO C=CCN(Cc1ccc(OC)cc1)Cc1cc(OC)cc(C)[nH+]1 ZINC000535295081 1035546963 /nfs/dbraw/zinc/54/69/63/1035546963.db2.gz QYXAQNRYUNGKQV-UHFFFAOYSA-N 1 1 312.413 3.595 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(OC)cc(C)n1 ZINC000535295081 1035546972 /nfs/dbraw/zinc/54/69/72/1035546972.db2.gz QYXAQNRYUNGKQV-UHFFFAOYSA-N 1 1 312.413 3.595 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(OC)cc(C)n1 ZINC000535295081 1035546979 /nfs/dbraw/zinc/54/69/79/1035546979.db2.gz QYXAQNRYUNGKQV-UHFFFAOYSA-N 1 1 312.413 3.595 20 30 DHEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCCC[C@@H]2c2ccccc2)c1 ZINC001193053659 1035558646 /nfs/dbraw/zinc/55/86/46/1035558646.db2.gz HBVJMRJOXZONNM-WOJBJXKFSA-N 1 1 306.409 3.819 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2cccc(OC)c2)cc1 ZINC001179966550 1035560715 /nfs/dbraw/zinc/56/07/15/1035560715.db2.gz OGPKAKTUUMRCHT-HXUWFJFHSA-N 1 1 305.421 3.884 20 30 DHEDMO C=C[C@H](CC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000535360030 1035591380 /nfs/dbraw/zinc/59/13/80/1035591380.db2.gz NLTXOCXKFSYIQG-FGTMMUONSA-N 1 1 314.473 3.725 20 30 DHEDMO Cc1ccccc1-n1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC001180168955 1035619738 /nfs/dbraw/zinc/61/97/38/1035619738.db2.gz DKWAYZBGCTVZAE-UHFFFAOYSA-N 1 1 316.408 3.684 20 30 DHEDMO Cc1ccccc1-n1cc(C[N@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC001180168955 1035619744 /nfs/dbraw/zinc/61/97/44/1035619744.db2.gz DKWAYZBGCTVZAE-UHFFFAOYSA-N 1 1 316.408 3.684 20 30 DHEDMO C#CC[N@H+](Cc1ccc(C#N)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001180296267 1035646183 /nfs/dbraw/zinc/64/61/83/1035646183.db2.gz FPOWIIRGKKZAST-OAQYLSRUSA-N 1 1 300.405 3.989 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(COCCOC)cc2)C1 ZINC000668494311 1035669413 /nfs/dbraw/zinc/66/94/13/1035669413.db2.gz XKFZKQHYYZKYEI-QGZVFWFLSA-N 1 1 303.446 3.638 20 30 DHEDMO C=CC[N@H+](CCC(C)(C)C(=O)OC)Cc1ccc(Cl)s1 ZINC001180422859 1035679238 /nfs/dbraw/zinc/67/92/38/1035679238.db2.gz PEFNOLJQSJOUFW-UHFFFAOYSA-N 1 1 315.866 3.979 20 30 DHEDMO CCc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)nc1 ZINC000569006942 1035711866 /nfs/dbraw/zinc/71/18/66/1035711866.db2.gz QJEWNIVFHOVSLP-VQTJNVASSA-N 1 1 305.425 3.916 20 30 DHEDMO CCc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)nc1 ZINC000569006942 1035711931 /nfs/dbraw/zinc/71/19/31/1035711931.db2.gz QJEWNIVFHOVSLP-VQTJNVASSA-N 1 1 305.425 3.916 20 30 DHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000494608194 1035730917 /nfs/dbraw/zinc/73/09/17/1035730917.db2.gz QCFFPMISMKQGBS-GJZGRUSLSA-N 1 1 323.481 3.551 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)cc1 ZINC000191976798 1035744287 /nfs/dbraw/zinc/74/42/87/1035744287.db2.gz CZPQYWPEXVJJLB-KRWDZBQOSA-N 1 1 310.372 3.695 20 30 DHEDMO C=CC[N@H+](C)C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000494637732 1035755015 /nfs/dbraw/zinc/75/50/15/1035755015.db2.gz MWUTUCGLMZYANF-CQSZACIVSA-N 1 1 311.853 3.629 20 30 DHEDMO C[C@@H](NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000539498741 1035759157 /nfs/dbraw/zinc/75/91/57/1035759157.db2.gz WCSDZSQNMCJLNQ-IXDOHACOSA-N 1 1 313.489 3.965 20 30 DHEDMO C[C@@H]([NH2+]CC(C)(C)N1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000539498741 1035759174 /nfs/dbraw/zinc/75/91/74/1035759174.db2.gz WCSDZSQNMCJLNQ-IXDOHACOSA-N 1 1 313.489 3.965 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000491264840 1035782328 /nfs/dbraw/zinc/78/23/28/1035782328.db2.gz BJQLIQGNFZMCCX-HNNXBMFYSA-N 1 1 316.470 3.635 20 30 DHEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)OC(C)C)cc1 ZINC001194165151 1035853527 /nfs/dbraw/zinc/85/35/27/1035853527.db2.gz PFIZYCZAAVYHRB-UHFFFAOYSA-N 1 1 321.420 3.887 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)OC(C)C)cc1 ZINC001194165151 1035853534 /nfs/dbraw/zinc/85/35/34/1035853534.db2.gz PFIZYCZAAVYHRB-UHFFFAOYSA-N 1 1 321.420 3.887 20 30 DHEDMO C=CCCC[N@H+](C)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000485696974 1035889242 /nfs/dbraw/zinc/88/92/42/1035889242.db2.gz PHQKEEGOCYJSPM-UHFFFAOYSA-N 1 1 314.351 3.932 20 30 DHEDMO CC[N@H+]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC001194268761 1035896865 /nfs/dbraw/zinc/89/68/65/1035896865.db2.gz JNYLYEDVJADJOK-KRWDZBQOSA-N 1 1 319.452 3.751 20 30 DHEDMO CCN1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC001194268761 1035896887 /nfs/dbraw/zinc/89/68/87/1035896887.db2.gz JNYLYEDVJADJOK-KRWDZBQOSA-N 1 1 319.452 3.751 20 30 DHEDMO CCN1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC001194268761 1035896904 /nfs/dbraw/zinc/89/69/04/1035896904.db2.gz JNYLYEDVJADJOK-KRWDZBQOSA-N 1 1 319.452 3.751 20 30 DHEDMO N#Cc1ccnc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC001194377511 1035912323 /nfs/dbraw/zinc/91/23/23/1035912323.db2.gz ZIYFOXMUCGECPG-UHFFFAOYSA-N 1 1 317.314 3.751 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)CC1(OC)CCCCCC1 ZINC001181687000 1035954499 /nfs/dbraw/zinc/95/44/99/1035954499.db2.gz MAGUBLYJNNXKHW-UHFFFAOYSA-N 1 1 321.461 3.889 20 30 DHEDMO CSc1cccc(F)c1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001181688217 1035955640 /nfs/dbraw/zinc/95/56/40/1035955640.db2.gz QHKTVPWXEFOKGW-UHFFFAOYSA-N 1 1 304.365 3.848 20 30 DHEDMO CCOC(=O)[C@@H]1C2CCC(CC2)[N@@H+]1CCC1(C#N)CCCCC1 ZINC001194588699 1035964498 /nfs/dbraw/zinc/96/44/98/1035964498.db2.gz KHDRNNCRRIAFKG-JCYILVPMSA-N 1 1 318.461 3.657 20 30 DHEDMO CCOC(=O)[C@@H]1C2CCC(CC2)[N@H+]1CCC1(C#N)CCCCC1 ZINC001194588699 1035964507 /nfs/dbraw/zinc/96/45/07/1035964507.db2.gz KHDRNNCRRIAFKG-JCYILVPMSA-N 1 1 318.461 3.657 20 30 DHEDMO CC1(C)CN(c2ccc(Cl)cc2)CC[N@H+]1CC1(CC#N)CC1 ZINC001194692982 1035996988 /nfs/dbraw/zinc/99/69/88/1035996988.db2.gz WQRXCFLMQSPEFJ-UHFFFAOYSA-N 1 1 317.864 3.934 20 30 DHEDMO C=C(CC)C[N@@H+](Cc1cccc(OC)c1)C1CCC(O)CC1 ZINC000540203861 1036009332 /nfs/dbraw/zinc/00/93/32/1036009332.db2.gz CEMXYUBYZBFBIY-UHFFFAOYSA-N 1 1 303.446 3.767 20 30 DHEDMO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)C(=O)OCC ZINC001181828263 1036009530 /nfs/dbraw/zinc/00/95/30/1036009530.db2.gz SAEDIHSBSLOADQ-OTWHNJEPSA-N 1 1 315.457 3.885 20 30 DHEDMO C[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC001194763232 1036027761 /nfs/dbraw/zinc/02/77/61/1036027761.db2.gz CJRQCHNHULXYPE-INIZCTEOSA-N 1 1 322.408 3.610 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)Cc2ccccc2O1 ZINC001194764887 1036028237 /nfs/dbraw/zinc/02/82/37/1036028237.db2.gz PONLRQUSIZWZAN-MRXNPFEDSA-N 1 1 322.408 3.610 20 30 DHEDMO C=CCCC[C@H](C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000540297865 1036029939 /nfs/dbraw/zinc/02/99/39/1036029939.db2.gz QPSVPXBMHJVFHI-ZDUSSCGKSA-N 1 1 324.852 3.964 20 30 DHEDMO CCC[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000540349665 1036042964 /nfs/dbraw/zinc/04/29/64/1036042964.db2.gz FRBOQSAQQWPPJG-NXHRZFHOSA-N 1 1 316.420 3.723 20 30 DHEDMO C=CCC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000494829960 1036072688 /nfs/dbraw/zinc/07/26/88/1036072688.db2.gz RIGIZZZWDSUHPY-IEBWSBKVSA-N 1 1 314.473 3.585 20 30 DHEDMO CCCCCCCCCOC(=O)N1CCn2c(C)[nH+]cc2C1 ZINC001194911824 1036075168 /nfs/dbraw/zinc/07/51/68/1036075168.db2.gz VTTHSALVBMDFBJ-UHFFFAOYSA-N 1 1 307.438 3.894 20 30 DHEDMO CCc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000761757379 1036087571 /nfs/dbraw/zinc/08/75/71/1036087571.db2.gz KJZRWKWFJNYYIV-FQEVSTJZSA-N 1 1 306.409 3.694 20 30 DHEDMO CCc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000761757379 1036087590 /nfs/dbraw/zinc/08/75/90/1036087590.db2.gz KJZRWKWFJNYYIV-FQEVSTJZSA-N 1 1 306.409 3.694 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc2oc(=O)oc2c1)c1ccc(Cl)cc1 ZINC001182160366 1036111491 /nfs/dbraw/zinc/11/14/91/1036111491.db2.gz IZSGVTASLIYALJ-CQSZACIVSA-N 1 1 313.740 3.504 20 30 DHEDMO COCC[N@H+](CCC(C)(C)C#N)Cc1ccc(F)cc1Cl ZINC000540686255 1036130066 /nfs/dbraw/zinc/13/00/66/1036130066.db2.gz AXEUQNYLSQLXSK-UHFFFAOYSA-N 1 1 312.816 3.867 20 30 DHEDMO COCC[N@@H+](CCC(C)(C)C#N)Cc1ccc(F)cc1Cl ZINC000540686255 1036130076 /nfs/dbraw/zinc/13/00/76/1036130076.db2.gz AXEUQNYLSQLXSK-UHFFFAOYSA-N 1 1 312.816 3.867 20 30 DHEDMO CCCC[N@@H+](CC)[C@@H](C(=O)Nc1[nH]ccc1C#N)c1ccccc1 ZINC001182232485 1036138533 /nfs/dbraw/zinc/13/85/33/1036138533.db2.gz NQILCMKEGYRPGU-QGZVFWFLSA-N 1 1 324.428 3.688 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)C1CCC1 ZINC000907678763 1036250524 /nfs/dbraw/zinc/25/05/24/1036250524.db2.gz XMXAIUOHWDXCJQ-UHFFFAOYSA-N 1 1 300.446 3.961 20 30 DHEDMO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC001195426384 1036253501 /nfs/dbraw/zinc/25/35/01/1036253501.db2.gz NYRBRCPERVQWIA-IPMKNSEASA-N 1 1 312.457 3.740 20 30 DHEDMO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000090117906 1036260090 /nfs/dbraw/zinc/26/00/90/1036260090.db2.gz UCHWWIGVQKIGSI-KRWDZBQOSA-N 1 1 313.332 3.846 20 30 DHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001195526991 1036278054 /nfs/dbraw/zinc/27/80/54/1036278054.db2.gz NLCGSGYLFKLOEO-WBVHZDCISA-N 1 1 318.436 3.509 20 30 DHEDMO C=CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccco1 ZINC000495182109 1036321048 /nfs/dbraw/zinc/32/10/48/1036321048.db2.gz GONBWUJYRGVHDQ-VMPITWQZSA-N 1 1 312.369 3.932 20 30 DHEDMO CCOCCO[NH+]=C(C)c1ccc(N2CCCCC2)c(F)c1 ZINC000774436746 1036330829 /nfs/dbraw/zinc/33/08/29/1036330829.db2.gz VXDGHFDDCIBSSI-UHFFFAOYSA-N 1 1 308.397 3.593 20 30 DHEDMO Cc1cc(C[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)ccc1C#N ZINC000487859704 1036337130 /nfs/dbraw/zinc/33/71/30/1036337130.db2.gz MCEIURXXUDRPHW-OXJNMPFZSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1cc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)ccc1C#N ZINC000487859704 1036337141 /nfs/dbraw/zinc/33/71/41/1036337141.db2.gz MCEIURXXUDRPHW-OXJNMPFZSA-N 1 1 306.409 3.829 20 30 DHEDMO CC[C@@H](C)CN(C)c1ccc(F)cc1C=[NH+]OC1CCOCC1 ZINC000774454569 1036339353 /nfs/dbraw/zinc/33/93/53/1036339353.db2.gz ZHKMBAQGVCOQDL-CQSZACIVSA-N 1 1 322.424 3.838 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC001182508030 1036368360 /nfs/dbraw/zinc/36/83/60/1036368360.db2.gz IPXSCFKJHFMKLL-HZPDHXFCSA-N 1 1 308.466 3.903 20 30 DHEDMO C#CC[N@H+](Cc1ccc(N2CCCCC2)c(C)c1)C1CSC1 ZINC001195979979 1036398277 /nfs/dbraw/zinc/39/82/77/1036398277.db2.gz YGZHXFPGAWGHKT-UHFFFAOYSA-N 1 1 314.498 3.536 20 30 DHEDMO CC(C)C1CCC(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001182765727 1036450589 /nfs/dbraw/zinc/45/05/89/1036450589.db2.gz VXDAROXEGQYGNQ-OUNSHVDWSA-N 1 1 314.473 3.986 20 30 DHEDMO C=CCCCCC[N@@H+]1CCc2c(F)ccc(C(=O)OC)c2C1 ZINC001196149748 1036452310 /nfs/dbraw/zinc/45/23/10/1036452310.db2.gz GDLQEHOGWMRIIC-UHFFFAOYSA-N 1 1 305.393 3.717 20 30 DHEDMO C=CCCCCC[N@H+]1CCc2c(F)ccc(C(=O)OC)c2C1 ZINC001196149748 1036452318 /nfs/dbraw/zinc/45/23/18/1036452318.db2.gz GDLQEHOGWMRIIC-UHFFFAOYSA-N 1 1 305.393 3.717 20 30 DHEDMO CC#CCCCCCCCC(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001182769847 1036453297 /nfs/dbraw/zinc/45/32/97/1036453297.db2.gz XWCUUTRSRIFTPV-GOSISDBHSA-N 1 1 306.494 3.682 20 30 DHEDMO C=CC[N@H+](CCOc1ccc2c(C)cc(=O)oc2c1)C(C)(C)C ZINC001196187271 1036459546 /nfs/dbraw/zinc/45/95/46/1036459546.db2.gz MLDRJSBSYKOZJR-UHFFFAOYSA-N 1 1 315.413 3.767 20 30 DHEDMO C=CC[N@@H+](C[C@H](O)c1ccccc1Br)C(C)(C)C ZINC001196198982 1036470162 /nfs/dbraw/zinc/47/01/62/1036470162.db2.gz UUTKPOKEXHQPFS-AWEZNQCLSA-N 1 1 312.251 3.769 20 30 DHEDMO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH+]1CCC(CC#N)CC1 ZINC000541948354 1036471032 /nfs/dbraw/zinc/47/10/32/1036471032.db2.gz GPOSBCPOGBOBHJ-CYBMUJFWSA-N 1 1 319.836 3.601 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1CO ZINC001196358132 1036513545 /nfs/dbraw/zinc/51/35/45/1036513545.db2.gz RYDDQLBXDTVMLA-JXFKEZNVSA-N 1 1 320.436 3.676 20 30 DHEDMO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nnc2n1CCCCC2 ZINC000271824052 1036552467 /nfs/dbraw/zinc/55/24/67/1036552467.db2.gz CYBBBNBLHYTSDW-YOEHRIQHSA-N 1 1 323.444 3.678 20 30 DHEDMO C=CCc1cc(C[N@H+]2CC3(CCC3)C[C@H]2C)c(O)c(OC)c1 ZINC000762139558 1036553570 /nfs/dbraw/zinc/55/35/70/1036553570.db2.gz AUMXHVCJASQCBO-CQSZACIVSA-N 1 1 301.430 3.894 20 30 DHEDMO CCc1ccccc1N[NH+]=C(C)c1cccc(N2CCOCC2)c1 ZINC000915051561 1036588288 /nfs/dbraw/zinc/58/82/88/1036588288.db2.gz HSBAYAYYAVIATR-UHFFFAOYSA-N 1 1 323.440 3.922 20 30 DHEDMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000030143974 1036628180 /nfs/dbraw/zinc/62/81/80/1036628180.db2.gz GDJBSCDBKFMNPO-QWHCGFSZSA-N 1 1 319.836 3.661 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)cs1 ZINC001183779431 1036666993 /nfs/dbraw/zinc/66/69/93/1036666993.db2.gz MJEFJHZANBRGKY-GFCCVEGCSA-N 1 1 304.365 3.887 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)cs1 ZINC001183779431 1036666997 /nfs/dbraw/zinc/66/69/97/1036666997.db2.gz MJEFJHZANBRGKY-GFCCVEGCSA-N 1 1 304.365 3.887 20 30 DHEDMO C[N@H+](CCc1cccc(C#N)c1)Cc1nc(C(C)(C)C)cs1 ZINC001197106018 1036687629 /nfs/dbraw/zinc/68/76/29/1036687629.db2.gz VUMPSDLPYVHHNQ-UHFFFAOYSA-N 1 1 313.470 3.987 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1nc(C(C)(C)C)cs1 ZINC001197106018 1036687638 /nfs/dbraw/zinc/68/76/38/1036687638.db2.gz VUMPSDLPYVHHNQ-UHFFFAOYSA-N 1 1 313.470 3.987 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@@H+](CC2CC2)C(C)C)c1=S ZINC000915208427 1036707847 /nfs/dbraw/zinc/70/78/47/1036707847.db2.gz LHOWASWLVBBVQJ-UHFFFAOYSA-N 1 1 306.479 3.555 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@H+](CC2CC2)C(C)C)c1=S ZINC000915208427 1036707864 /nfs/dbraw/zinc/70/78/64/1036707864.db2.gz LHOWASWLVBBVQJ-UHFFFAOYSA-N 1 1 306.479 3.555 20 30 DHEDMO C=CCCCCC[C@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)n[nH]1 ZINC001184002792 1036726986 /nfs/dbraw/zinc/72/69/86/1036726986.db2.gz UDXUUUQJLMYVAT-QWRGUYRKSA-N 1 1 304.360 3.999 20 30 DHEDMO N#Cc1ccc(NC(=O)C[N@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000193464945 1036794531 /nfs/dbraw/zinc/79/45/31/1036794531.db2.gz TUKLUEJEXJLUST-UHFFFAOYSA-N 1 1 323.396 3.535 20 30 DHEDMO N#Cc1ccc(NC(=O)C[N@@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000193464945 1036794548 /nfs/dbraw/zinc/79/45/48/1036794548.db2.gz TUKLUEJEXJLUST-UHFFFAOYSA-N 1 1 323.396 3.535 20 30 DHEDMO C=CCC1(O)C[NH+](C/C(C)=C\c2ccccc2C(F)(F)F)C1 ZINC001184337432 1036818742 /nfs/dbraw/zinc/81/87/42/1036818742.db2.gz GQKLVLHPZAUNAR-LCYFTJDESA-N 1 1 311.347 3.732 20 30 DHEDMO C#CCCC[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000762626470 1036880865 /nfs/dbraw/zinc/88/08/65/1036880865.db2.gz VWPLSCGKIFRSQT-UHFFFAOYSA-N 1 1 304.231 3.952 20 30 DHEDMO Cc1cc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)ccc1C#N ZINC000488178689 1036881790 /nfs/dbraw/zinc/88/17/90/1036881790.db2.gz AWRDQGLLTNNSFN-UHFFFAOYSA-N 1 1 301.393 3.906 20 30 DHEDMO Cc1cc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)ccc1C#N ZINC000488178689 1036881813 /nfs/dbraw/zinc/88/18/13/1036881813.db2.gz AWRDQGLLTNNSFN-UHFFFAOYSA-N 1 1 301.393 3.906 20 30 DHEDMO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000495772789 1036908849 /nfs/dbraw/zinc/90/88/49/1036908849.db2.gz ZXGRZTFUOPQIRV-OAHLLOKOSA-N 1 1 323.481 3.553 20 30 DHEDMO C=CCCCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000488224804 1036911391 /nfs/dbraw/zinc/91/13/91/1036911391.db2.gz SYZGLNJNKAPWEQ-QGZVFWFLSA-N 1 1 315.461 3.787 20 30 DHEDMO N#Cc1ccc(Br)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000492627717 1036946170 /nfs/dbraw/zinc/94/61/70/1036946170.db2.gz DRICNGAKEPKRKY-OKILXGFUSA-N 1 1 319.246 3.943 20 30 DHEDMO C#CC[N@@H+](Cc1cc(C)nnc1C)[C@H]1CCCc2ccccc21 ZINC001198105359 1036955901 /nfs/dbraw/zinc/95/59/01/1036955901.db2.gz WZRGOQBYNCVJNU-FQEVSTJZSA-N 1 1 305.425 3.606 20 30 DHEDMO C#CC[N@H+](Cc1cc(C)nnc1C)[C@H]1CCCc2ccccc21 ZINC001198105359 1036955912 /nfs/dbraw/zinc/95/59/12/1036955912.db2.gz WZRGOQBYNCVJNU-FQEVSTJZSA-N 1 1 305.425 3.606 20 30 DHEDMO C[N@H+](Cc1cc(C#N)ccc1Br)CC1CCCC1 ZINC000492659953 1036964236 /nfs/dbraw/zinc/96/42/36/1036964236.db2.gz XETGXIUMOMXBKY-UHFFFAOYSA-N 1 1 307.235 3.943 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)ccc1OC ZINC000488401170 1036997343 /nfs/dbraw/zinc/99/73/43/1036997343.db2.gz UKHZTOZEPREWAL-HNNXBMFYSA-N 1 1 319.445 3.649 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CC(C)(C)OC[C@@H]2C)ccc1OC ZINC000488401170 1036997358 /nfs/dbraw/zinc/99/73/58/1036997358.db2.gz UKHZTOZEPREWAL-HNNXBMFYSA-N 1 1 319.445 3.649 20 30 DHEDMO Cc1cc(F)c(C#N)c(NCC[N@H+]2CCc3sccc3C2)c1 ZINC001185027330 1037007054 /nfs/dbraw/zinc/00/70/54/1037007054.db2.gz AEAFTYIOQGPCAX-UHFFFAOYSA-N 1 1 315.417 3.538 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Br)cc1 ZINC001203908244 1037046843 /nfs/dbraw/zinc/04/68/43/1037046843.db2.gz MCDFEZHVCUKEFH-XMQYKBBCSA-N 1 1 305.219 3.716 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Br)cc1 ZINC001203908244 1037046859 /nfs/dbraw/zinc/04/68/59/1037046859.db2.gz MCDFEZHVCUKEFH-XMQYKBBCSA-N 1 1 305.219 3.716 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000775871647 1037066733 /nfs/dbraw/zinc/06/67/33/1037066733.db2.gz LKYFJAXBLOJFQU-UHFFFAOYSA-N 1 1 304.393 3.636 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CC[C@H](C)c2ccccc2)c1 ZINC000774846124 1037075409 /nfs/dbraw/zinc/07/54/09/1037075409.db2.gz MZAFMEBKUKDUGK-KRWDZBQOSA-N 1 1 320.436 3.732 20 30 DHEDMO c1ccc(C[N@@H+]2C[C@@H]3C(=NNC4CCCC4)CCC[C@@H]3C2)cc1 ZINC000781122322 1037230844 /nfs/dbraw/zinc/23/08/44/1037230844.db2.gz MRPHFNWJCXGUBX-MJGOQNOKSA-N 1 1 311.473 3.807 20 30 DHEDMO C=CC[NH+]1CCC(N[C@@H](C)c2cc(C)ccc2OC(F)F)CC1 ZINC000177906611 1037280773 /nfs/dbraw/zinc/28/07/73/1037280773.db2.gz WTAGHFGGOUXZSE-AWEZNQCLSA-N 1 1 324.415 3.897 20 30 DHEDMO N#Cc1cc(Br)ccc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000312097258 1037332913 /nfs/dbraw/zinc/33/29/13/1037332913.db2.gz SCVHBFHVUHSUDT-STQMWFEESA-N 1 1 319.246 3.943 20 30 DHEDMO Cc1cccc(OCC[N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000121545572 1037333492 /nfs/dbraw/zinc/33/34/92/1037333492.db2.gz AFGLZFHBVXTTAJ-KRWDZBQOSA-N 1 1 324.424 3.797 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000489426101 1037426015 /nfs/dbraw/zinc/42/60/15/1037426015.db2.gz LHLLVCQMJBXWTB-AWEZNQCLSA-N 1 1 305.219 3.861 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000489426101 1037426018 /nfs/dbraw/zinc/42/60/18/1037426018.db2.gz LHLLVCQMJBXWTB-AWEZNQCLSA-N 1 1 305.219 3.861 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489431271 1037427712 /nfs/dbraw/zinc/42/77/12/1037427712.db2.gz DUBVWUHGBNBKDJ-HNNXBMFYSA-N 1 1 313.357 3.790 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489431271 1037427718 /nfs/dbraw/zinc/42/77/18/1037427718.db2.gz DUBVWUHGBNBKDJ-HNNXBMFYSA-N 1 1 313.357 3.790 20 30 DHEDMO CC(C)[N@H+](C)C[C@H](C)Nc1c(C#N)cnc2c(Cl)cccc21 ZINC001186627641 1037452262 /nfs/dbraw/zinc/45/22/62/1037452262.db2.gz UTZRMKAKKIOLBD-LBPRGKRZSA-N 1 1 316.836 3.900 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000489486930 1037460201 /nfs/dbraw/zinc/46/02/01/1037460201.db2.gz ZHDLESWCZJILQS-OAHLLOKOSA-N 1 1 317.820 3.973 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000489489440 1037460793 /nfs/dbraw/zinc/46/07/93/1037460793.db2.gz ZJQOPWMWPXZRLW-HOCLYGCPSA-N 1 1 318.486 3.624 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000489489440 1037460819 /nfs/dbraw/zinc/46/08/19/1037460819.db2.gz ZJQOPWMWPXZRLW-HOCLYGCPSA-N 1 1 318.486 3.624 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000489486928 1037462369 /nfs/dbraw/zinc/46/23/69/1037462369.db2.gz ZHDLESWCZJILQS-HNNXBMFYSA-N 1 1 317.820 3.973 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000489494784 1037463576 /nfs/dbraw/zinc/46/35/76/1037463576.db2.gz JYIGPGVHUKHNMK-XJKSGUPXSA-N 1 1 306.837 3.558 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000489494784 1037463588 /nfs/dbraw/zinc/46/35/88/1037463588.db2.gz JYIGPGVHUKHNMK-XJKSGUPXSA-N 1 1 306.837 3.558 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000489494782 1037465330 /nfs/dbraw/zinc/46/53/30/1037465330.db2.gz JYIGPGVHUKHNMK-CZUORRHYSA-N 1 1 306.837 3.558 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000489494782 1037465336 /nfs/dbraw/zinc/46/53/36/1037465336.db2.gz JYIGPGVHUKHNMK-CZUORRHYSA-N 1 1 306.837 3.558 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCOC(C)(C)[C@@H]2C)c1O ZINC000763211510 1037485227 /nfs/dbraw/zinc/48/52/27/1037485227.db2.gz LNNHCCTXTPOWPA-AWEZNQCLSA-N 1 1 319.445 3.519 20 30 DHEDMO CCC[N@H+]1CC[C@@H](Nc2cc(C(F)(F)F)c(F)cc2C#N)C1 ZINC001187139537 1037582907 /nfs/dbraw/zinc/58/29/07/1037582907.db2.gz COANNVWTCBBXQF-LLVKDONJSA-N 1 1 315.314 3.612 20 30 DHEDMO C=C1CCC(C(=O)Nc2ccc3c(cc[nH+]c3N(C)C)c2)CC1 ZINC001273544869 1037682286 /nfs/dbraw/zinc/68/22/86/1037682286.db2.gz YMPOQNNEXXLWOV-UHFFFAOYSA-N 1 1 309.413 3.986 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000775136825 1037689048 /nfs/dbraw/zinc/68/90/48/1037689048.db2.gz MFNFCUSUGLWAGB-HNNXBMFYSA-N 1 1 311.347 3.863 20 30 DHEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490354348 1037692638 /nfs/dbraw/zinc/69/26/38/1037692638.db2.gz KURJBHTWXQZXSY-JKSUJKDBSA-N 1 1 322.456 3.969 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@H+](C[C@@H](C)CCC=C(C)C)C2)C1=O ZINC001201488001 1037707249 /nfs/dbraw/zinc/70/72/49/1037707249.db2.gz WRUUZLJWKONPBS-AZUAARDMSA-N 1 1 318.505 3.869 20 30 DHEDMO CCCCCCCCCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000916193969 1037708429 /nfs/dbraw/zinc/70/84/29/1037708429.db2.gz CAZVJOBHLVUVCK-IRXDYDNUSA-N 1 1 309.498 3.663 20 30 DHEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C[C@H](C)CCC)C2)C1 ZINC001201539466 1037745944 /nfs/dbraw/zinc/74/59/44/1037745944.db2.gz VWCQTUWTJYZKLK-SJLPKXTDSA-N 1 1 308.466 3.533 20 30 DHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@H](O)c1ccc(C#N)cc1 ZINC000763413694 1037832474 /nfs/dbraw/zinc/83/24/74/1037832474.db2.gz MTEWBRFYHHAPBX-SFTDATJTSA-N 1 1 322.452 3.935 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000185750202 1037834688 /nfs/dbraw/zinc/83/46/88/1037834688.db2.gz MNZKCCYMQPDVGQ-IRXDYDNUSA-N 1 1 302.462 3.616 20 30 DHEDMO C#CC[N@@H+](CC)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000490841680 1037838998 /nfs/dbraw/zinc/83/89/98/1037838998.db2.gz WRPCPGRYWXXFRQ-UHFFFAOYSA-N 1 1 306.409 3.637 20 30 DHEDMO N#CCCC[N@@H+](Cc1ccccc1)C[C@]1(O)CCc2ccccc21 ZINC000151391907 1037873615 /nfs/dbraw/zinc/87/36/15/1037873615.db2.gz GMQOHYNZQFOLJB-OAQYLSRUSA-N 1 1 320.436 3.626 20 30 DHEDMO C[N@H+](Cc1cc(-c2ccc(F)cc2)no1)Cc1cccc(C#N)c1 ZINC000029723880 1037890621 /nfs/dbraw/zinc/89/06/21/1037890621.db2.gz FTSLDMYBAHGLJV-UHFFFAOYSA-N 1 1 321.355 3.984 20 30 DHEDMO C[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)Cc1cccc(C#N)c1 ZINC000029723880 1037890641 /nfs/dbraw/zinc/89/06/41/1037890641.db2.gz FTSLDMYBAHGLJV-UHFFFAOYSA-N 1 1 321.355 3.984 20 30 DHEDMO CCCCCCC[N@@H+]1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001201787904 1037907099 /nfs/dbraw/zinc/90/70/99/1037907099.db2.gz PKWZVURCQCYCMU-QGZVFWFLSA-N 1 1 309.475 3.505 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001201787904 1037907115 /nfs/dbraw/zinc/90/71/15/1037907115.db2.gz PKWZVURCQCYCMU-QGZVFWFLSA-N 1 1 309.475 3.505 20 30 DHEDMO C#C[C@H](C)[N@H+](C)Cc1cc2ccccc2nc1N1CCCCC1 ZINC000775182576 1037931255 /nfs/dbraw/zinc/93/12/55/1037931255.db2.gz DOQPTRXHQCMGJF-INIZCTEOSA-N 1 1 307.441 3.679 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)Cc1cc2ccccc2nc1N1CCCCC1 ZINC000775182576 1037931282 /nfs/dbraw/zinc/93/12/82/1037931282.db2.gz DOQPTRXHQCMGJF-INIZCTEOSA-N 1 1 307.441 3.679 20 30 DHEDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491195126 1037936264 /nfs/dbraw/zinc/93/62/64/1037936264.db2.gz SPLZGAVDCQQJPN-IBGZPJMESA-N 1 1 322.456 3.969 20 30 DHEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc2ccccc2c1 ZINC001188628389 1037950820 /nfs/dbraw/zinc/95/08/20/1037950820.db2.gz BTWHCSDSJBDCON-SFHVURJKSA-N 1 1 309.413 3.612 20 30 DHEDMO N#Cc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)ccn1 ZINC000586776468 1037950911 /nfs/dbraw/zinc/95/09/11/1037950911.db2.gz CWLRPLCFRPIITD-AQNXPRMDSA-N 1 1 303.409 3.721 20 30 DHEDMO Cc1cnc(CC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)c1 ZINC000571555129 1038168410 /nfs/dbraw/zinc/16/84/10/1038168410.db2.gz SNPPURLMNPKJIR-UHFFFAOYSA-N 1 1 305.425 3.777 20 30 DHEDMO C[N@@H+]1CC[C@@H](NCC#Cc2cccc(Cl)c2)[C@H]1c1ccccc1 ZINC000571690631 1038180999 /nfs/dbraw/zinc/18/09/99/1038180999.db2.gz JRBJLRQTVJBLAQ-WOJBJXKFSA-N 1 1 324.855 3.727 20 30 DHEDMO C[N@H+]1CC[C@@H](NCC#Cc2cccc(Cl)c2)[C@H]1c1ccccc1 ZINC000571690631 1038181005 /nfs/dbraw/zinc/18/10/05/1038181005.db2.gz JRBJLRQTVJBLAQ-WOJBJXKFSA-N 1 1 324.855 3.727 20 30 DHEDMO C=C(C)Cc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001190231255 1038278153 /nfs/dbraw/zinc/27/81/53/1038278153.db2.gz BPXGKRSOWPWTMG-QGZVFWFLSA-N 1 1 314.473 3.800 20 30 DHEDMO C#CC[N@H+](Cc1cccc(N(C)C)c1)[C@H]1CCc2ccccc21 ZINC001190528339 1038338322 /nfs/dbraw/zinc/33/83/22/1038338322.db2.gz JUISDWKETBKVHF-NRFANRHFSA-N 1 1 304.437 3.875 20 30 DHEDMO C=CC[N@H+](CCN(C)c1ccccc1)Cc1cccc(C#N)c1 ZINC001190642269 1038362296 /nfs/dbraw/zinc/36/22/96/1038362296.db2.gz AIHDFRQTPVCQQE-UHFFFAOYSA-N 1 1 305.425 3.683 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](OC)C1CCCCC1 ZINC001190707551 1038367274 /nfs/dbraw/zinc/36/72/74/1038367274.db2.gz JNPGFMNXBDNFNB-LJQANCHMSA-N 1 1 303.421 3.856 20 30 DHEDMO CCCCCCC[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC001190872234 1038400115 /nfs/dbraw/zinc/40/01/15/1038400115.db2.gz HMPFZBSLUDECEK-UHFFFAOYSA-N 1 1 320.452 3.944 20 30 DHEDMO CCCCCCCCNC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001191081208 1038434079 /nfs/dbraw/zinc/43/40/79/1038434079.db2.gz IYPUQKIJYCVNHC-DLBZAZTESA-N 1 1 311.514 3.765 20 30 DHEDMO Cn1cc(C[N@@H+](C)[C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc1C#N ZINC000589205883 1038449268 /nfs/dbraw/zinc/44/92/68/1038449268.db2.gz UCXIPBBRQYZCEU-RTBURBONSA-N 1 1 323.440 3.575 20 30 DHEDMO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001191277549 1038478342 /nfs/dbraw/zinc/47/83/42/1038478342.db2.gz LQHMKRLPZVISNA-QGZVFWFLSA-N 1 1 323.396 3.920 20 30 DHEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001191277549 1038478347 /nfs/dbraw/zinc/47/83/47/1038478347.db2.gz LQHMKRLPZVISNA-QGZVFWFLSA-N 1 1 323.396 3.920 20 30 DHEDMO C[N@@H+](CCOC(C)(C)C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000589503284 1038487709 /nfs/dbraw/zinc/48/77/09/1038487709.db2.gz OOUVZOPBURYGLF-UHFFFAOYSA-N 1 1 314.351 3.824 20 30 DHEDMO CO[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000589510932 1038495143 /nfs/dbraw/zinc/49/51/43/1038495143.db2.gz WXYFWMQFCZNJRE-AWEZNQCLSA-N 1 1 312.335 3.578 20 30 DHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)C12CCC2 ZINC001191551254 1038519645 /nfs/dbraw/zinc/51/96/45/1038519645.db2.gz PSYDTVUKEIKSNG-DLBZAZTESA-N 1 1 318.848 3.991 20 30 DHEDMO C=CCOc1ccc(CNCC[N@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000589641207 1038524505 /nfs/dbraw/zinc/52/45/05/1038524505.db2.gz XYANYFOGHRIJIT-OAHLLOKOSA-N 1 1 322.880 3.726 20 30 DHEDMO C=CCOc1ccc(CNCC[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000589641207 1038524511 /nfs/dbraw/zinc/52/45/11/1038524511.db2.gz XYANYFOGHRIJIT-OAHLLOKOSA-N 1 1 322.880 3.726 20 30 DHEDMO Cc1nc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c(Cl)cc1C#N ZINC000589689859 1038534361 /nfs/dbraw/zinc/53/43/61/1038534361.db2.gz PSMHLBMMRKASFI-MRXNPFEDSA-N 1 1 312.804 3.514 20 30 DHEDMO Cc1nc(N[C@@H]2C[N@H+](C)Cc3ccccc32)c(Cl)cc1C#N ZINC000589689859 1038534365 /nfs/dbraw/zinc/53/43/65/1038534365.db2.gz PSMHLBMMRKASFI-MRXNPFEDSA-N 1 1 312.804 3.514 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001191910757 1038562824 /nfs/dbraw/zinc/56/28/24/1038562824.db2.gz RRMYUWRIZSKPPF-HZPDHXFCSA-N 1 1 310.482 3.968 20 30 DHEDMO COCC[N@H+](Cc1ccc(C)o1)Cc1cc(Cl)cc(C#N)c1 ZINC001191891732 1038563554 /nfs/dbraw/zinc/56/35/54/1038563554.db2.gz KPYWHWDPMINOED-UHFFFAOYSA-N 1 1 318.804 3.762 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1cc(Cl)cc(C#N)c1 ZINC001191891732 1038563564 /nfs/dbraw/zinc/56/35/64/1038563564.db2.gz KPYWHWDPMINOED-UHFFFAOYSA-N 1 1 318.804 3.762 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000590022561 1038567791 /nfs/dbraw/zinc/56/77/91/1038567791.db2.gz BWEDHQMCCVQIQD-GOSISDBHSA-N 1 1 312.457 3.736 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOC[C@@H]2CC2CCC2)cc1 ZINC000590209371 1038605942 /nfs/dbraw/zinc/60/59/42/1038605942.db2.gz LMDFLEUHZITDGM-IBGZPJMESA-N 1 1 312.457 3.879 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000590602142 1038674285 /nfs/dbraw/zinc/67/42/85/1038674285.db2.gz FZZVQDRFNGTLNB-KRWDZBQOSA-N 1 1 321.509 3.533 20 30 DHEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000590756930 1038699413 /nfs/dbraw/zinc/69/94/13/1038699413.db2.gz OGANTJYYOBRGJS-MAUKXSAKSA-N 1 1 300.446 3.735 20 30 DHEDMO C[C@H](C#N)C[N@H+](CCOc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001192917916 1038715133 /nfs/dbraw/zinc/71/51/33/1038715133.db2.gz HVNQRWCZRJCCGQ-LLVKDONJSA-N 1 1 313.228 3.996 20 30 DHEDMO C[C@H](C#N)C[N@@H+](CCOc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001192917916 1038715145 /nfs/dbraw/zinc/71/51/45/1038715145.db2.gz HVNQRWCZRJCCGQ-LLVKDONJSA-N 1 1 313.228 3.996 20 30 DHEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000590971373 1038733410 /nfs/dbraw/zinc/73/34/10/1038733410.db2.gz XPXRQEXBXNIWMX-SFHVURJKSA-N 1 1 300.446 3.879 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000591011873 1038744433 /nfs/dbraw/zinc/74/44/33/1038744433.db2.gz WECURNSCRRCCAM-BBBLOLIVSA-N 1 1 302.262 3.741 20 30 DHEDMO C[C@H](CCC#N)[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000591011873 1038744438 /nfs/dbraw/zinc/74/44/38/1038744438.db2.gz WECURNSCRRCCAM-BBBLOLIVSA-N 1 1 302.262 3.741 20 30 DHEDMO N#CC1(CC[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)CCCCC1 ZINC000591022865 1038749887 /nfs/dbraw/zinc/74/98/87/1038749887.db2.gz NVCXVCFUOAQSJA-ROUUACIJSA-N 1 1 304.478 3.989 20 30 DHEDMO C#CCC[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000760831612 1038876687 /nfs/dbraw/zinc/87/66/87/1038876687.db2.gz BEKJRYNEJWJDQR-CYBMUJFWSA-N 1 1 310.260 3.941 20 30 DHEDMO CC(C)C[N@@H+](CCc1ccc(F)cc1)Cc1ccncc1C#N ZINC000592068172 1039116410 /nfs/dbraw/zinc/11/64/10/1039116410.db2.gz XKNWQTZAYMLOSH-UHFFFAOYSA-N 1 1 311.404 3.793 20 30 DHEDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1Cc1ccncc1C#N ZINC000592124727 1039123886 /nfs/dbraw/zinc/12/38/86/1039123886.db2.gz LHMFGGXDOMDBAV-LJQANCHMSA-N 1 1 309.388 3.690 20 30 DHEDMO Cc1ccc(C[NH2+][C@@H](COCC(C)C)c2ccco2)cc1C#N ZINC000599360885 1039138498 /nfs/dbraw/zinc/13/84/98/1039138498.db2.gz XJWUKYSXPHWENP-SFHVURJKSA-N 1 1 312.413 3.963 20 30 DHEDMO Cc1cccn2cc(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)nc12 ZINC000058397044 1039156071 /nfs/dbraw/zinc/15/60/71/1039156071.db2.gz DVJGMHLXLUYFQT-UHFFFAOYSA-N 1 1 318.424 3.925 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)ccn1 ZINC000592189035 1039168933 /nfs/dbraw/zinc/16/89/33/1039168933.db2.gz XDJNUPMXRVEZHV-IBGZPJMESA-N 1 1 301.393 3.847 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)ccn1 ZINC000592189035 1039168944 /nfs/dbraw/zinc/16/89/44/1039168944.db2.gz XDJNUPMXRVEZHV-IBGZPJMESA-N 1 1 301.393 3.847 20 30 DHEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC1(C)COC1 ZINC000599571759 1039207387 /nfs/dbraw/zinc/20/73/87/1039207387.db2.gz UOTKEJGOHINTGM-UHFFFAOYSA-N 1 1 306.409 3.694 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC(F)(F)CC2)c(OC(F)F)c1 ZINC000599551048 1039210081 /nfs/dbraw/zinc/21/00/81/1039210081.db2.gz GEEQAEUDHQEILN-UHFFFAOYSA-N 1 1 316.298 3.781 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCCC(F)(F)CC2)c(OC(F)F)c1 ZINC000599551048 1039210097 /nfs/dbraw/zinc/21/00/97/1039210097.db2.gz GEEQAEUDHQEILN-UHFFFAOYSA-N 1 1 316.298 3.781 20 30 DHEDMO Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592525568 1039223787 /nfs/dbraw/zinc/22/37/87/1039223787.db2.gz RJHNOYMVCFUDLT-FQEVSTJZSA-N 1 1 306.409 3.513 20 30 DHEDMO Cc1ccccc1-c1cccc(C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592522163 1039223934 /nfs/dbraw/zinc/22/39/34/1039223934.db2.gz IMNGQKZZCNFCIV-HXUWFJFHSA-N 1 1 306.409 3.513 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+](CCc1c(F)cccc1F)C2 ZINC000599677784 1039249090 /nfs/dbraw/zinc/24/90/90/1039249090.db2.gz LCTSPXDOGJCQDY-UHFFFAOYSA-N 1 1 312.363 3.632 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+](CCc1cccc(F)c1F)C2 ZINC000599677745 1039254487 /nfs/dbraw/zinc/25/44/87/1039254487.db2.gz NJGMRMRLBMHQFW-UHFFFAOYSA-N 1 1 312.363 3.632 20 30 DHEDMO COc1ccccc1CCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676417 1039254792 /nfs/dbraw/zinc/25/47/92/1039254792.db2.gz CUHNLFFLQLNJNV-UHFFFAOYSA-N 1 1 320.436 3.752 20 30 DHEDMO COc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)ccc1C ZINC000599677326 1039255094 /nfs/dbraw/zinc/25/50/94/1039255094.db2.gz FCNUCQVWAUAANQ-UHFFFAOYSA-N 1 1 306.409 3.628 20 30 DHEDMO COc1cccc([C@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599679862 1039266067 /nfs/dbraw/zinc/26/60/67/1039266067.db2.gz YRPMUGJGTKYMAR-HNNXBMFYSA-N 1 1 306.409 3.881 20 30 DHEDMO N#Cc1cnccc1CS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592354649 1039337995 /nfs/dbraw/zinc/33/79/95/1039337995.db2.gz RNFDVHVXMZMEOJ-LJQANCHMSA-N 1 1 323.465 3.851 20 30 DHEDMO C[C@]1(Cc2cccc(Cl)c2)CCC[N@H+]1CCOCCC#N ZINC000593049011 1039371500 /nfs/dbraw/zinc/37/15/00/1039371500.db2.gz KBIHAEKVJXZNHU-QGZVFWFLSA-N 1 1 306.837 3.667 20 30 DHEDMO CCC(C#N)(CC)C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000599958864 1039396768 /nfs/dbraw/zinc/39/67/68/1039396768.db2.gz NDKMQLZEFZNNCN-UHFFFAOYSA-N 1 1 310.401 3.758 20 30 DHEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000046342237 1039424924 /nfs/dbraw/zinc/42/49/24/1039424924.db2.gz LGVZIYGXQOQCII-GFCCVEGCSA-N 1 1 318.244 3.631 20 30 DHEDMO C[C@@H](CCO)[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000593108925 1039437918 /nfs/dbraw/zinc/43/79/18/1039437918.db2.gz UCKXONXKAMKOCA-SFHVURJKSA-N 1 1 322.452 3.589 20 30 DHEDMO COCCc1cc[nH+]c(NCc2ccc(C(C)(C)C#N)cc2)c1 ZINC000593945205 1039632828 /nfs/dbraw/zinc/63/28/28/1039632828.db2.gz RWPKGKUVXBUVLL-UHFFFAOYSA-N 1 1 309.413 3.684 20 30 DHEDMO CC(C)C[C@H](CNCc1ccc(C(C)(C)C#N)cc1)[NH+](C)C ZINC000594495362 1039796473 /nfs/dbraw/zinc/79/64/73/1039796473.db2.gz RDNROTQILIOZAE-GOSISDBHSA-N 1 1 301.478 3.554 20 30 DHEDMO CC(C)[N@@H+]1CCC[C@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594497806 1039801879 /nfs/dbraw/zinc/80/18/79/1039801879.db2.gz GQQFIAHEVOUVOC-GOSISDBHSA-N 1 1 313.489 3.698 20 30 DHEDMO CC(C)[N@H+]1CCC[C@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594497806 1039801890 /nfs/dbraw/zinc/80/18/90/1039801890.db2.gz GQQFIAHEVOUVOC-GOSISDBHSA-N 1 1 313.489 3.698 20 30 DHEDMO N#Cc1c(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cccc1C(F)F ZINC000594601980 1039846326 /nfs/dbraw/zinc/84/63/26/1039846326.db2.gz QFALNSXYGYSZPI-CVEARBPZSA-N 1 1 305.372 3.925 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000594610846 1039872631 /nfs/dbraw/zinc/87/26/31/1039872631.db2.gz VLJFVOLTWGCKMK-QUCCMNQESA-N 1 1 310.441 3.631 20 30 DHEDMO C[N@@H+](CCNCc1ccc(C2(C#N)CC2)cc1)C1CCCCC1 ZINC000594917065 1039926950 /nfs/dbraw/zinc/92/69/50/1039926950.db2.gz GQIDMCJFSHTPJC-UHFFFAOYSA-N 1 1 311.473 3.596 20 30 DHEDMO CN(CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1)C1CCCCC1 ZINC000594917065 1039926971 /nfs/dbraw/zinc/92/69/71/1039926971.db2.gz GQIDMCJFSHTPJC-UHFFFAOYSA-N 1 1 311.473 3.596 20 30 DHEDMO C[C@]1(Cc2ccccc2F)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000594015300 1039942113 /nfs/dbraw/zinc/94/21/13/1039942113.db2.gz IHNWDYXEBVSXJP-LJQANCHMSA-N 1 1 309.388 3.690 20 30 DHEDMO N#CC1(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)CCCCC1 ZINC000594980817 1039990168 /nfs/dbraw/zinc/99/01/68/1039990168.db2.gz BPYZGKGOKUYRHP-UHFFFAOYSA-N 1 1 322.412 3.833 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000606902652 1040029887 /nfs/dbraw/zinc/02/98/87/1040029887.db2.gz GJIXRHRNVZFYPE-UHFFFAOYSA-N 1 1 315.417 3.923 20 30 DHEDMO COc1ccc(OC)c([C@H](C)[NH2+]CC2(C#N)CCCCC2)c1 ZINC000595099117 1040064661 /nfs/dbraw/zinc/06/46/61/1040064661.db2.gz REDILDQXIBFIEN-AWEZNQCLSA-N 1 1 302.418 3.828 20 30 DHEDMO Cc1cc([C@H]2C[N@H+](CCc3ccc(C#N)cc3)CCO2)ccc1F ZINC000595410537 1040131454 /nfs/dbraw/zinc/13/14/54/1040131454.db2.gz LTOFBBULLZCXDN-HXUWFJFHSA-N 1 1 324.399 3.622 20 30 DHEDMO Cc1cc([C@H]2C[N@@H+](CCc3ccc(C#N)cc3)CCO2)ccc1F ZINC000595410537 1040131458 /nfs/dbraw/zinc/13/14/58/1040131458.db2.gz LTOFBBULLZCXDN-HXUWFJFHSA-N 1 1 324.399 3.622 20 30 DHEDMO CCn1ccnc1[C@H]1CCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595478026 1040150066 /nfs/dbraw/zinc/15/00/66/1040150066.db2.gz ZQVWXJQYPDCZSC-GOSISDBHSA-N 1 1 308.429 3.544 20 30 DHEDMO C[C@@H]1CN([C@@H](C#N)c2ccc(Cl)cc2)CC[N@H+](C2CCC2)C1 ZINC000595502994 1040155480 /nfs/dbraw/zinc/15/54/80/1040155480.db2.gz YHCKSQSAAHFRNY-KSSFIOAISA-N 1 1 317.864 3.711 20 30 DHEDMO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595616473 1040193605 /nfs/dbraw/zinc/19/36/05/1040193605.db2.gz QVVMMHRXSJWHJJ-KBPBESRZSA-N 1 1 319.836 3.601 20 30 DHEDMO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595616473 1040193612 /nfs/dbraw/zinc/19/36/12/1040193612.db2.gz QVVMMHRXSJWHJJ-KBPBESRZSA-N 1 1 319.836 3.601 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000595660994 1040216111 /nfs/dbraw/zinc/21/61/11/1040216111.db2.gz VHPSPLOXBUBPAT-LBPRGKRZSA-N 1 1 301.346 3.524 20 30 DHEDMO CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1CCCSCC#N ZINC000595759760 1040232211 /nfs/dbraw/zinc/23/22/11/1040232211.db2.gz NPRQMZMWFOSJFA-INIZCTEOSA-N 1 1 322.449 3.624 20 30 DHEDMO CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1CCCSCC#N ZINC000595759760 1040232225 /nfs/dbraw/zinc/23/22/25/1040232225.db2.gz NPRQMZMWFOSJFA-INIZCTEOSA-N 1 1 322.449 3.624 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595788358 1040252552 /nfs/dbraw/zinc/25/25/52/1040252552.db2.gz MPCUERLZULGYGC-QAPCUYQASA-N 1 1 318.848 3.993 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595788358 1040252566 /nfs/dbraw/zinc/25/25/66/1040252566.db2.gz MPCUERLZULGYGC-QAPCUYQASA-N 1 1 318.848 3.993 20 30 DHEDMO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 ZINC000595780633 1040256188 /nfs/dbraw/zinc/25/61/88/1040256188.db2.gz WZQNPHAIIUELQR-NEPJUHHUSA-N 1 1 312.335 3.576 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 ZINC000595780633 1040256214 /nfs/dbraw/zinc/25/62/14/1040256214.db2.gz WZQNPHAIIUELQR-NEPJUHHUSA-N 1 1 312.335 3.576 20 30 DHEDMO Cc1cc(C)c(NC(=O)CCC[N@H+]2CC[C@](C)(C#N)C2)c(C)c1 ZINC000595840503 1040258495 /nfs/dbraw/zinc/25/84/95/1040258495.db2.gz OWKHIEHBGAIYJN-LJQANCHMSA-N 1 1 313.445 3.566 20 30 DHEDMO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H]1CCc2ccccc21 ZINC000595877828 1040280601 /nfs/dbraw/zinc/28/06/01/1040280601.db2.gz KPDATUALUARHAF-INIZCTEOSA-N 1 1 321.380 3.628 20 30 DHEDMO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H]1CCc2ccccc21 ZINC000595877828 1040280621 /nfs/dbraw/zinc/28/06/21/1040280621.db2.gz KPDATUALUARHAF-INIZCTEOSA-N 1 1 321.380 3.628 20 30 DHEDMO Cc1ccc(C#N)nc1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000596153990 1040320697 /nfs/dbraw/zinc/32/06/97/1040320697.db2.gz ZHYOZIMMWPHDKY-FUHWJXTLSA-N 1 1 320.440 3.727 20 30 DHEDMO CC(C)C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000063495948 1040327874 /nfs/dbraw/zinc/32/78/74/1040327874.db2.gz SHWDWISWCIFASL-UHFFFAOYSA-N 1 1 321.852 3.907 20 30 DHEDMO CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000173561957 1040334027 /nfs/dbraw/zinc/33/40/27/1040334027.db2.gz KFPQGFSTKJSZAT-OXJNMPFZSA-N 1 1 308.425 3.983 20 30 DHEDMO CC(C)CC[N@H+](CCC#N)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761193790 1040556480 /nfs/dbraw/zinc/55/64/80/1040556480.db2.gz IJQNSGGCNQWMSY-UHFFFAOYSA-N 1 1 311.470 3.551 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761193790 1040556494 /nfs/dbraw/zinc/55/64/94/1040556494.db2.gz IJQNSGGCNQWMSY-UHFFFAOYSA-N 1 1 311.470 3.551 20 30 DHEDMO CC[N@@H+](Cc1ccnn1CC1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000596984267 1040617913 /nfs/dbraw/zinc/61/79/13/1040617913.db2.gz SFDRKUPAFJXREM-HNNXBMFYSA-N 1 1 308.429 3.748 20 30 DHEDMO CC[N@@H+](Cc1ccnn1CC1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000596984268 1040618548 /nfs/dbraw/zinc/61/85/48/1040618548.db2.gz SFDRKUPAFJXREM-OAHLLOKOSA-N 1 1 308.429 3.748 20 30 DHEDMO N#CCCCC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000608832825 1040624754 /nfs/dbraw/zinc/62/47/54/1040624754.db2.gz WJBVUNHQHJOIDX-AOOOYVTPSA-N 1 1 302.262 3.743 20 30 DHEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C1Cc2ccccc2C1 ZINC000596999613 1040626911 /nfs/dbraw/zinc/62/69/11/1040626911.db2.gz FANRBTKQHCEBLY-UHFFFAOYSA-N 1 1 302.421 3.841 20 30 DHEDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCS1 ZINC000597025524 1040630684 /nfs/dbraw/zinc/63/06/84/1040630684.db2.gz BSLBHGJLFVTHEC-QGZVFWFLSA-N 1 1 300.471 3.815 20 30 DHEDMO CC1(C)CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCS1 ZINC000597114904 1040653953 /nfs/dbraw/zinc/65/39/53/1040653953.db2.gz DJFPRMKSMWCBOL-UHFFFAOYSA-N 1 1 300.471 3.959 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H]3c3cccnc3)cc2)CC1 ZINC000597127204 1040656489 /nfs/dbraw/zinc/65/64/89/1040656489.db2.gz NJPDMGUXIKNPNA-LJQANCHMSA-N 1 1 303.409 3.974 20 30 DHEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597130400 1040658889 /nfs/dbraw/zinc/65/88/89/1040658889.db2.gz NDALRJZZAMYYAU-GOSISDBHSA-N 1 1 320.440 3.919 20 30 DHEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597130217 1040659383 /nfs/dbraw/zinc/65/93/83/1040659383.db2.gz SUCYNHFLNJJPGZ-VQIMIIECSA-N 1 1 312.457 3.757 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)cc2)CC1 ZINC000597137796 1040661543 /nfs/dbraw/zinc/66/15/43/1040661543.db2.gz YTAGMDHJXBSRRC-AQNXPRMDSA-N 1 1 324.468 3.757 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H](C[C@H]4CCOC4)C3)cc2)CC1 ZINC000597133862 1040662486 /nfs/dbraw/zinc/66/24/86/1040662486.db2.gz WQKGNGMCLIWZQI-RTBURBONSA-N 1 1 324.468 3.880 20 30 DHEDMO C[C@H]1CC2(C[N@H+]1Cc1ccc(C3(C#N)CC3)cc1)CCOCC2 ZINC000597154565 1040666954 /nfs/dbraw/zinc/66/69/54/1040666954.db2.gz ATKIOIMDLJEOOG-INIZCTEOSA-N 1 1 310.441 3.633 20 30 DHEDMO CC(C)[C@@H]1[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC12CCOCC2 ZINC000597151976 1040667985 /nfs/dbraw/zinc/66/79/85/1040667985.db2.gz TYHZOLGVIRNMKK-IBGZPJMESA-N 1 1 324.468 3.879 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3C[C@@H](O)C[C@H]3c3ccccc3)cc2)CC1 ZINC000597150407 1040668118 /nfs/dbraw/zinc/66/81/18/1040668118.db2.gz BQEMULDMPKCUHP-PMACEKPBSA-N 1 1 318.420 3.550 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000597177815 1040678515 /nfs/dbraw/zinc/67/85/15/1040678515.db2.gz QXWDKNADURTSNM-AWEZNQCLSA-N 1 1 313.426 3.951 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000597177815 1040678522 /nfs/dbraw/zinc/67/85/22/1040678522.db2.gz QXWDKNADURTSNM-AWEZNQCLSA-N 1 1 313.426 3.951 20 30 DHEDMO CN(CCc1ccccc1)[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000597208896 1040683088 /nfs/dbraw/zinc/68/30/88/1040683088.db2.gz OTFRVRPPUJQRKN-IBGZPJMESA-N 1 1 313.489 3.565 20 30 DHEDMO C[N@H+](CCc1ccccc1)[C@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000597208896 1040683111 /nfs/dbraw/zinc/68/31/11/1040683111.db2.gz OTFRVRPPUJQRKN-IBGZPJMESA-N 1 1 313.489 3.565 20 30 DHEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000597208896 1040683117 /nfs/dbraw/zinc/68/31/17/1040683117.db2.gz OTFRVRPPUJQRKN-IBGZPJMESA-N 1 1 313.489 3.565 20 30 DHEDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc(C3(C#N)CC3)cc1)C2 ZINC000597209417 1040683525 /nfs/dbraw/zinc/68/35/25/1040683525.db2.gz BCODYVCQTXWVOZ-UHFFFAOYSA-N 1 1 318.420 3.809 20 30 DHEDMO COc1cccc([C@@]2(C)CC[N@@H+](Cc3cc(C#N)cs3)C2)c1 ZINC000597212626 1040685978 /nfs/dbraw/zinc/68/59/78/1040685978.db2.gz WBVREXHPDQQLRS-SFHVURJKSA-N 1 1 312.438 3.792 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CC[C@H](C4CCCCC4)C3)n2c1 ZINC000597203100 1040691706 /nfs/dbraw/zinc/69/17/06/1040691706.db2.gz MUJQOTPFXXDQPS-KRWDZBQOSA-N 1 1 308.429 3.608 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)o1 ZINC000597237149 1040697058 /nfs/dbraw/zinc/69/70/58/1040697058.db2.gz ASPBDFUGRXSYOQ-UHFFFAOYSA-N 1 1 306.365 3.592 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccc(C[NH3+])cc1F ZINC000593322298 1040712776 /nfs/dbraw/zinc/71/27/76/1040712776.db2.gz MABPZGAPEOCCIG-FQEVSTJZSA-N 1 1 323.415 3.713 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456346943 1040785237 /nfs/dbraw/zinc/78/52/37/1040785237.db2.gz UGVLJCSVDTZKQA-ROUUACIJSA-N 1 1 314.473 3.569 20 30 DHEDMO CC(C)[N@H+](CCC#N)Cc1cccc(OCc2ccccn2)c1 ZINC000534342201 1040811272 /nfs/dbraw/zinc/81/12/72/1040811272.db2.gz TWBOCZWEHZBDCB-UHFFFAOYSA-N 1 1 309.413 3.785 20 30 DHEDMO CC(C)[N@@H+](CCC#N)Cc1cccc(OCc2ccccn2)c1 ZINC000534342201 1040811277 /nfs/dbraw/zinc/81/12/77/1040811277.db2.gz TWBOCZWEHZBDCB-UHFFFAOYSA-N 1 1 309.413 3.785 20 30 DHEDMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H]1CCC[C@H]1O ZINC000534381706 1040840344 /nfs/dbraw/zinc/84/03/44/1040840344.db2.gz BNEOUDURPSSRMK-PZJWPPBQSA-N 1 1 320.436 3.818 20 30 DHEDMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H]1CCC[C@@H]1O ZINC000534381705 1040840836 /nfs/dbraw/zinc/84/08/36/1040840836.db2.gz BNEOUDURPSSRMK-FPOVZHCZSA-N 1 1 320.436 3.818 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+][C@H](CCc1ccccc1)c1ccccn1 ZINC000601967088 1040846757 /nfs/dbraw/zinc/84/67/57/1040846757.db2.gz HSQMVPVXLWXGTK-UYAOXDASSA-N 1 1 318.424 3.789 20 30 DHEDMO C=C[C@H](CC(=O)N1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000457012675 1040985649 /nfs/dbraw/zinc/98/56/49/1040985649.db2.gz GZGAIJDNWIMHCS-YLJYHZDGSA-N 1 1 320.436 3.519 20 30 DHEDMO COc1ccccc1C[N@@H+](C[C@@H](C)CCC#N)C[C@@H]1CCCO1 ZINC000602450475 1041029214 /nfs/dbraw/zinc/02/92/14/1041029214.db2.gz VZFZAMDDELEOED-WMZOPIPTSA-N 1 1 316.445 3.616 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@H](C)CCC#N)cc1OC ZINC000602436501 1041033272 /nfs/dbraw/zinc/03/32/72/1041033272.db2.gz OWHVYQQSAWZDMI-ZBFHGGJFSA-N 1 1 302.418 3.781 20 30 DHEDMO CCOc1cc2c(cc1OCC)C[N@@H+](C[C@@H](C)CCC#N)CC2 ZINC000602437277 1041033384 /nfs/dbraw/zinc/03/33/84/1041033384.db2.gz STWFIXZBVFUSAQ-HNNXBMFYSA-N 1 1 316.445 3.782 20 30 DHEDMO CC(C)[N@@H+](Cc1c2c(nn1C)CCCC2)Cc1ccc(C#N)cc1 ZINC000602441701 1041038011 /nfs/dbraw/zinc/03/80/11/1041038011.db2.gz XUOSSODOPJXHSK-UHFFFAOYSA-N 1 1 322.456 3.581 20 30 DHEDMO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602466742 1041045321 /nfs/dbraw/zinc/04/53/21/1041045321.db2.gz WIOBQKSVXKEJQL-GOSISDBHSA-N 1 1 307.397 3.689 20 30 DHEDMO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602466742 1041045338 /nfs/dbraw/zinc/04/53/38/1041045338.db2.gz WIOBQKSVXKEJQL-GOSISDBHSA-N 1 1 307.397 3.689 20 30 DHEDMO C[C@H]1SCC[N@H+](Cc2cccc(C#N)n2)[C@@H]1c1ccccc1 ZINC000602471032 1041046785 /nfs/dbraw/zinc/04/67/85/1041046785.db2.gz BUHYJASUIBRFPI-KDOFPFPSSA-N 1 1 309.438 3.632 20 30 DHEDMO C[C@H]1SCC[N@@H+](Cc2cccc(C#N)n2)[C@@H]1c1ccccc1 ZINC000602471032 1041046794 /nfs/dbraw/zinc/04/67/94/1041046794.db2.gz BUHYJASUIBRFPI-KDOFPFPSSA-N 1 1 309.438 3.632 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000602463145 1041047256 /nfs/dbraw/zinc/04/72/56/1041047256.db2.gz RPVPJWPPJMHTPB-BBRMVZONSA-N 1 1 324.371 3.601 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000602467565 1041047646 /nfs/dbraw/zinc/04/76/46/1041047646.db2.gz XMUQGKVXBAFPBI-KSSFIOAISA-N 1 1 314.408 3.520 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1CCSCC1 ZINC000602485087 1041054341 /nfs/dbraw/zinc/05/43/41/1041054341.db2.gz PRSUFANFEJXOQD-ROUUACIJSA-N 1 1 300.471 3.901 20 30 DHEDMO Cn1ccnc1[C@H](C1CC1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000602493034 1041059034 /nfs/dbraw/zinc/05/90/34/1041059034.db2.gz IEBKVQGZGOABQA-IBGZPJMESA-N 1 1 318.424 3.532 20 30 DHEDMO Cn1ccnc1[C@H](C1CC1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000602493034 1041059055 /nfs/dbraw/zinc/05/90/55/1041059055.db2.gz IEBKVQGZGOABQA-IBGZPJMESA-N 1 1 318.424 3.532 20 30 DHEDMO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cccc(C#N)n3)oc21 ZINC000602503298 1041070857 /nfs/dbraw/zinc/07/08/57/1041070857.db2.gz PUZHPTJFTPMYJP-CYBMUJFWSA-N 1 1 321.380 3.949 20 30 DHEDMO N#CC1CCC([NH2+]C[C@@H]2CCCN2CC2CCCCC2)CC1 ZINC000602535094 1041093414 /nfs/dbraw/zinc/09/34/14/1041093414.db2.gz MVBVXYXLKJXKSK-KVZIAJEVSA-N 1 1 303.494 3.703 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCOc2cccc(Br)c2C1 ZINC000602712601 1041172803 /nfs/dbraw/zinc/17/28/03/1041172803.db2.gz VUFLURYHAJFDRN-LBPRGKRZSA-N 1 1 323.234 3.583 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000602697865 1041160126 /nfs/dbraw/zinc/16/01/26/1041160126.db2.gz BJHGCVWIDBLRJG-APWZRJJASA-N 1 1 300.446 3.589 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000602712601 1041172797 /nfs/dbraw/zinc/17/27/97/1041172797.db2.gz VUFLURYHAJFDRN-LBPRGKRZSA-N 1 1 323.234 3.583 20 30 DHEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1)C(=O)OC ZINC000602735430 1041187411 /nfs/dbraw/zinc/18/74/11/1041187411.db2.gz XAYHIPLMNLVBBL-BBWFWOEESA-N 1 1 316.445 3.514 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2CC2(CC#N)CC2)cc1OC ZINC000602758954 1041191966 /nfs/dbraw/zinc/19/19/66/1041191966.db2.gz KGFFHOUQYXTIOC-HNNXBMFYSA-N 1 1 300.402 3.535 20 30 DHEDMO N#CCC1(C[NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)CC1 ZINC000602762235 1041193969 /nfs/dbraw/zinc/19/39/69/1041193969.db2.gz CUFFKADYQSQWEW-NXEZZACHSA-N 1 1 314.273 3.743 20 30 DHEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000602793634 1041215095 /nfs/dbraw/zinc/21/50/95/1041215095.db2.gz BJVHGURYYWRSKY-MRXNPFEDSA-N 1 1 308.429 3.503 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@](CF)(C(F)(F)F)C2)cc1Cl ZINC001232112131 1041259097 /nfs/dbraw/zinc/25/90/97/1041259097.db2.gz PLNNFAFTKVESFZ-CYBMUJFWSA-N 1 1 320.717 3.936 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)cc1Cl ZINC001232112131 1041259111 /nfs/dbraw/zinc/25/91/11/1041259111.db2.gz PLNNFAFTKVESFZ-CYBMUJFWSA-N 1 1 320.717 3.936 20 30 DHEDMO C[N@H+](Cc1ccc(OCc2ccncc2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602978104 1041328491 /nfs/dbraw/zinc/32/84/91/1041328491.db2.gz LQAASPWYOQMFCF-AZUAARDMSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602978104 1041328510 /nfs/dbraw/zinc/32/85/10/1041328510.db2.gz LQAASPWYOQMFCF-AZUAARDMSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](O)CC(C)(C)C#N ZINC000598583908 1041335311 /nfs/dbraw/zinc/33/53/11/1041335311.db2.gz HEDUTUVUPMULRA-ZDUSSCGKSA-N 1 1 315.244 3.726 20 30 DHEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598585200 1041347204 /nfs/dbraw/zinc/34/72/04/1041347204.db2.gz YBCPFMZLBGJZMP-ZFWWWQNUSA-N 1 1 300.402 3.726 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000598586378 1041349300 /nfs/dbraw/zinc/34/93/00/1041349300.db2.gz SKBSDGQLSUUQLV-MSOLQXFVSA-N 1 1 300.446 3.904 20 30 DHEDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598592100 1041352369 /nfs/dbraw/zinc/35/23/69/1041352369.db2.gz FMLBNGDISFUGRO-SJLPKXTDSA-N 1 1 300.446 3.543 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000598594701 1041353566 /nfs/dbraw/zinc/35/35/66/1041353566.db2.gz IDIGTHKEEDMBRQ-IRXDYDNUSA-N 1 1 304.409 3.653 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000598594193 1041353800 /nfs/dbraw/zinc/35/38/00/1041353800.db2.gz ZTZWBWYHKIYXBF-UYAOXDASSA-N 1 1 314.473 3.632 20 30 DHEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598595382 1041356173 /nfs/dbraw/zinc/35/61/73/1041356173.db2.gz NNEJRHLYPWHJPZ-QZTJIDSGSA-N 1 1 320.452 3.625 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000598621126 1041362048 /nfs/dbraw/zinc/36/20/48/1041362048.db2.gz FSGUVRWZYQRLPL-PKOBYXMFSA-N 1 1 318.436 3.523 20 30 DHEDMO COc1ccc(C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C(C)(C)C)cc1 ZINC000598616650 1041362469 /nfs/dbraw/zinc/36/24/69/1041362469.db2.gz OHXIOTDHBFNJHN-INIZCTEOSA-N 1 1 318.461 3.596 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000598621120 1041362795 /nfs/dbraw/zinc/36/27/95/1041362795.db2.gz FSGUVRWZYQRLPL-HKUYNNGSSA-N 1 1 318.436 3.523 20 30 DHEDMO Cc1cccc(C)c1[C@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598624776 1041363757 /nfs/dbraw/zinc/36/37/57/1041363757.db2.gz HCLPWRMXERSQOR-IAGOWNOFSA-N 1 1 300.446 3.741 20 30 DHEDMO C[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000598621306 1041364545 /nfs/dbraw/zinc/36/45/45/1041364545.db2.gz JOAXIMBYNIYOMN-QYZOEREBSA-N 1 1 314.473 3.945 20 30 DHEDMO CC[C@@H](C[N@@H+](CC)C[C@@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598609208 1041369157 /nfs/dbraw/zinc/36/91/57/1041369157.db2.gz RYUUAAAQGQSNQH-WMZOPIPTSA-N 1 1 302.462 3.803 20 30 DHEDMO C=CC[N@@H+](CCOc1ccccc1C#N)CCc1ccccc1 ZINC000520130095 335036808 /nfs/dbraw/zinc/03/68/08/335036808.db2.gz XCVUBPRGEYYAQW-UHFFFAOYSA-N 1 1 306.409 3.668 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)[C@H](C)c2ccncc2)cc(OC)c1O ZINC000183716126 335040348 /nfs/dbraw/zinc/04/03/48/335040348.db2.gz RRMGYHRZJRXVPJ-CQSZACIVSA-N 1 1 312.413 3.717 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2cccnc2)cc1OC ZINC000183720485 335041151 /nfs/dbraw/zinc/04/11/51/335041151.db2.gz DBEIXCXXNQRXCE-OAHLLOKOSA-N 1 1 312.413 3.848 20 30 DHEDMO Cc1cnc(C(C)(C)[NH2+]CC#Cc2cccc(Cl)c2)s1 ZINC000183941354 335054028 /nfs/dbraw/zinc/05/40/28/335054028.db2.gz HXXXRTHOJDLJQG-UHFFFAOYSA-N 1 1 304.846 3.981 20 30 DHEDMO CC(=O)Nc1ccn([C@@H]2CC[N@@H+](Cc3c(C)cccc3C)C2)n1 ZINC000328637602 257263471 /nfs/dbraw/zinc/26/34/71/257263471.db2.gz WBPDOHMCUKPZOK-MRXNPFEDSA-N 1 1 312.417 3.555 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000289373628 335062873 /nfs/dbraw/zinc/06/28/73/335062873.db2.gz BBOUZANPFHWSRB-FQEVSTJZSA-N 1 1 306.409 3.821 20 30 DHEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272214308 130008361 /nfs/dbraw/zinc/00/83/61/130008361.db2.gz AYCFMCNHAXWZGK-SFHVURJKSA-N 1 1 308.429 3.579 20 30 DHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000340190975 131075277 /nfs/dbraw/zinc/07/52/77/131075277.db2.gz NFYAEZKEMCWVKF-AWEZNQCLSA-N 1 1 311.429 3.563 20 30 DHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000340190975 131075279 /nfs/dbraw/zinc/07/52/79/131075279.db2.gz NFYAEZKEMCWVKF-AWEZNQCLSA-N 1 1 311.429 3.563 20 30 DHEDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000299210266 132093396 /nfs/dbraw/zinc/09/33/96/132093396.db2.gz GRFFMONFZATIAL-CWPLJXCYSA-N 1 1 320.436 3.959 20 30 DHEDMO CC[N@@H+](CCOCCC#N)CCc1ccc(C(F)(F)F)cc1 ZINC000425555023 335086752 /nfs/dbraw/zinc/08/67/52/335086752.db2.gz YAICKWIPIKFACB-UHFFFAOYSA-N 1 1 314.351 3.500 20 30 DHEDMO C=CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000292730833 335093759 /nfs/dbraw/zinc/09/37/59/335093759.db2.gz JEZHNRPMCSCMTN-GOSISDBHSA-N 1 1 314.473 3.569 20 30 DHEDMO CCCCOc1cc(C[N@H+](CC)C[C@H](C)C#N)ccc1OC ZINC000091983154 332116609 /nfs/dbraw/zinc/11/66/09/332116609.db2.gz BJXDRVMJIORREK-OAHLLOKOSA-N 1 1 304.434 3.856 20 30 DHEDMO CCCCOc1cc(C[N@@H+](CC)C[C@H](C)C#N)ccc1OC ZINC000091983154 332116611 /nfs/dbraw/zinc/11/66/11/332116611.db2.gz BJXDRVMJIORREK-OAHLLOKOSA-N 1 1 304.434 3.856 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H](c2ccccc2Cl)C(C)C)C1=O ZINC000410369892 332118621 /nfs/dbraw/zinc/11/86/21/332118621.db2.gz GGUKRZBSSOOOTH-IRXDYDNUSA-N 1 1 320.864 3.756 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](C)[C@H](c2ccccc2Cl)C(C)C)C1=O ZINC000410369892 332118622 /nfs/dbraw/zinc/11/86/22/332118622.db2.gz GGUKRZBSSOOOTH-IRXDYDNUSA-N 1 1 320.864 3.756 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)C1=O ZINC000410380674 332121401 /nfs/dbraw/zinc/12/14/01/332121401.db2.gz HRMHKCGAGGKXEU-NZSAHSFTSA-N 1 1 312.457 3.555 20 30 DHEDMO C=CC[N@@H+](Cc1cnc2cc(C)ccn12)Cc1cccc(C#N)c1 ZINC000092504374 332131208 /nfs/dbraw/zinc/13/12/08/332131208.db2.gz DCTIFMQSDWLMNF-UHFFFAOYSA-N 1 1 316.408 3.703 20 30 DHEDMO C=CC[N@H+](Cc1cnc2cc(C)ccn12)Cc1cccc(C#N)c1 ZINC000092504374 332131210 /nfs/dbraw/zinc/13/12/10/332131210.db2.gz DCTIFMQSDWLMNF-UHFFFAOYSA-N 1 1 316.408 3.703 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1c[nH]nc1-c1cccnc1 ZINC000093101036 332134216 /nfs/dbraw/zinc/13/42/16/332134216.db2.gz UPZXXWCFNOSFCF-UHFFFAOYSA-N 1 1 311.433 3.624 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1c[nH]nc1-c1cccnc1 ZINC000093101036 332134217 /nfs/dbraw/zinc/13/42/17/332134217.db2.gz UPZXXWCFNOSFCF-UHFFFAOYSA-N 1 1 311.433 3.624 20 30 DHEDMO N#CCCn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000093442989 332138764 /nfs/dbraw/zinc/13/87/64/332138764.db2.gz XAZMJNCZRDUJLD-HDICACEKSA-N 1 1 320.440 3.696 20 30 DHEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000181243877 332187990 /nfs/dbraw/zinc/18/79/90/332187990.db2.gz IFFXWDORACGQFN-UHFFFAOYSA-N 1 1 320.742 3.805 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000181243877 332187991 /nfs/dbraw/zinc/18/79/91/332187991.db2.gz IFFXWDORACGQFN-UHFFFAOYSA-N 1 1 320.742 3.805 20 30 DHEDMO CCC(CC)[C@@H](CN[C@H](CC)c1ccc(C#N)cc1)[NH+](C)C ZINC000559984755 332299555 /nfs/dbraw/zinc/29/95/55/332299555.db2.gz PMQMRQCKHQLZGV-RTBURBONSA-N 1 1 301.478 3.965 20 30 DHEDMO N#CCCCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000152683496 332319246 /nfs/dbraw/zinc/31/92/46/332319246.db2.gz WHVRGKHQFBYDRU-CQSZACIVSA-N 1 1 303.475 3.895 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1 ZINC000560611680 332368054 /nfs/dbraw/zinc/36/80/54/332368054.db2.gz NXPBTDWTGSHISQ-LJQANCHMSA-N 1 1 313.441 3.642 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000119907974 332379870 /nfs/dbraw/zinc/37/98/70/332379870.db2.gz SEBGOPKMFJWWBY-HNNXBMFYSA-N 1 1 300.402 3.535 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](OC)c1ccccc1 ZINC000560984537 332399344 /nfs/dbraw/zinc/39/93/44/332399344.db2.gz XPOZQMGORFEALA-HXUWFJFHSA-N 1 1 306.409 3.934 20 30 DHEDMO COc1cccc(C[NH2+][C@@H](CCC#N)c2ccccc2)c1OC ZINC000130606558 332542186 /nfs/dbraw/zinc/54/21/86/332542186.db2.gz FCGJNGGJPMVJBS-KRWDZBQOSA-N 1 1 310.397 3.838 20 30 DHEDMO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000580343645 335116457 /nfs/dbraw/zinc/11/64/57/335116457.db2.gz UGAVNVHWKMFVDS-SPYBWZPUSA-N 1 1 323.440 3.687 20 30 DHEDMO CC(C)c1ccccc1NC(=O)[C@H](C)O[NH+]=C(N)C1CCCC1 ZINC000172069583 333058097 /nfs/dbraw/zinc/05/80/97/333058097.db2.gz CJAATMYEGMHVTQ-ZDUSSCGKSA-N 1 1 317.433 3.616 20 30 DHEDMO CCC[N@@H+](CCCC(C)(C)C#N)CC(=O)Nc1ccccc1C ZINC000174808942 333091017 /nfs/dbraw/zinc/09/10/17/333091017.db2.gz CRRZGBPFQSASIO-UHFFFAOYSA-N 1 1 315.461 3.976 20 30 DHEDMO C[C@@H]([N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12)C1(C)CC1 ZINC000177251896 333126175 /nfs/dbraw/zinc/12/61/75/333126175.db2.gz BIKKKDNCHZNEJG-OAHLLOKOSA-N 1 1 323.440 3.858 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000179058269 333145912 /nfs/dbraw/zinc/14/59/12/333145912.db2.gz YLCBHFHOGWMJTG-CQSZACIVSA-N 1 1 319.408 3.758 20 30 DHEDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000387726571 333166037 /nfs/dbraw/zinc/16/60/37/333166037.db2.gz OEDMINSDEJXXDB-LBPRGKRZSA-N 1 1 311.351 3.719 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000185344940 335129061 /nfs/dbraw/zinc/12/90/61/335129061.db2.gz NETAYMVEMLOSNZ-HOTGVXAUSA-N 1 1 320.502 3.679 20 30 DHEDMO Cc1ccnc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000310555553 333254085 /nfs/dbraw/zinc/25/40/85/333254085.db2.gz YEZFGPDLIZGQRJ-FUHWJXTLSA-N 1 1 320.440 3.584 20 30 DHEDMO CCC[N@@H+](CCOc1ccccc1C#N)Cc1ccc(C#N)cc1 ZINC000497615287 333269908 /nfs/dbraw/zinc/26/99/08/333269908.db2.gz LCJKTPNDEYAVHE-UHFFFAOYSA-N 1 1 319.408 3.721 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2CCOc2ccccc2C#N)cc1 ZINC000497619318 333270412 /nfs/dbraw/zinc/27/04/12/333270412.db2.gz RUXFLYWHEHZQHG-LJQANCHMSA-N 1 1 322.408 3.783 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000501779637 333279592 /nfs/dbraw/zinc/27/95/92/333279592.db2.gz XKQDMINVVCEUKB-XHSDSOJGSA-N 1 1 320.502 3.629 20 30 DHEDMO C[C@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)c1ccc(C#N)cc1 ZINC000499939059 333320707 /nfs/dbraw/zinc/32/07/07/333320707.db2.gz NFNKJHGZNNCBSR-MEDUHNTESA-N 1 1 318.779 3.735 20 30 DHEDMO Cc1cc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc(C)c1O ZINC000583468192 333359703 /nfs/dbraw/zinc/35/97/03/333359703.db2.gz KQFQYXPVDZPMKI-UHFFFAOYSA-N 1 1 324.424 3.529 20 30 DHEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000188448543 333367182 /nfs/dbraw/zinc/36/71/82/333367182.db2.gz LINANXOFZYVTBS-QILLFSRXSA-N 1 1 320.502 3.850 20 30 DHEDMO C=CC[NH+](CC=C)CC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000338391079 333486532 /nfs/dbraw/zinc/48/65/32/333486532.db2.gz BZCJNHNAYKIBEE-MRXNPFEDSA-N 1 1 306.837 3.581 20 30 DHEDMO CCC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000185865548 335154789 /nfs/dbraw/zinc/15/47/89/335154789.db2.gz BQNXVTGSYHYEKJ-CQSZACIVSA-N 1 1 305.447 3.603 20 30 DHEDMO Cn1cc(C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)cc1C#N ZINC000414514801 334003925 /nfs/dbraw/zinc/00/39/25/334003925.db2.gz SMBVVYPSRKFGBI-IBGZPJMESA-N 1 1 305.425 3.666 20 30 DHEDMO COc1ccc(CC/C(C)=N/OCCCn2cc[nH+]c2C)cc1 ZINC000271194492 334019712 /nfs/dbraw/zinc/01/97/12/334019712.db2.gz HCCPMDTYQIOPHZ-HMMYKYKNSA-N 1 1 315.417 3.616 20 30 DHEDMO CC[N@H+](CCC(C)(C)C#N)CC(=O)Nc1c(C)cccc1C ZINC000272030811 334029771 /nfs/dbraw/zinc/02/97/71/334029771.db2.gz PBVCTODAEFNCBP-UHFFFAOYSA-N 1 1 301.434 3.504 20 30 DHEDMO CC[N@@H+](CCC(C)(C)C#N)CC(=O)Nc1c(C)cccc1C ZINC000272030811 334029772 /nfs/dbraw/zinc/02/97/72/334029772.db2.gz PBVCTODAEFNCBP-UHFFFAOYSA-N 1 1 301.434 3.504 20 30 DHEDMO C=CC[N@H+](Cc1cn(C(C)C)nc1C)Cc1ccc(OC)cc1 ZINC000343514690 335173438 /nfs/dbraw/zinc/17/34/38/335173438.db2.gz PJIWMKAAUKNUPH-UHFFFAOYSA-N 1 1 313.445 3.969 20 30 DHEDMO C=CC[N@@H+](Cc1cn(C(C)C)nc1C)Cc1ccc(OC)cc1 ZINC000343514690 335173439 /nfs/dbraw/zinc/17/34/39/335173439.db2.gz PJIWMKAAUKNUPH-UHFFFAOYSA-N 1 1 313.445 3.969 20 30 DHEDMO Cc1c(Br)cccc1C[NH+]1CCC(C)(C#N)CC1 ZINC000272630482 334038424 /nfs/dbraw/zinc/03/84/24/334038424.db2.gz WDYMICVMCUFWQR-UHFFFAOYSA-N 1 1 307.235 3.883 20 30 DHEDMO C[C@H](C#N)C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000273522505 334048295 /nfs/dbraw/zinc/04/82/95/334048295.db2.gz QQZDSEVNOVLVLY-OAHLLOKOSA-N 1 1 310.397 3.563 20 30 DHEDMO C[C@H](C#N)C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000273522505 334048296 /nfs/dbraw/zinc/04/82/96/334048296.db2.gz QQZDSEVNOVLVLY-OAHLLOKOSA-N 1 1 310.397 3.563 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000343555509 335171948 /nfs/dbraw/zinc/17/19/48/335171948.db2.gz CRXFIQRVJPJBBE-KDOFPFPSSA-N 1 1 312.438 3.776 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000343555509 335171950 /nfs/dbraw/zinc/17/19/50/335171950.db2.gz CRXFIQRVJPJBBE-KDOFPFPSSA-N 1 1 312.438 3.776 20 30 DHEDMO C[N@@H+](Cc1cc(Br)ccc1F)[C@@H]1CC[C@@H](C#N)C1 ZINC000278727393 334100465 /nfs/dbraw/zinc/10/04/65/334100465.db2.gz VNJIHIGPZDKIMY-ZWNOBZJWSA-N 1 1 311.198 3.712 20 30 DHEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCSCC#N ZINC000278950204 334103981 /nfs/dbraw/zinc/10/39/81/334103981.db2.gz OKPCCNXFLJUDJJ-OAHLLOKOSA-N 1 1 312.866 3.606 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1nc(C(F)(F)F)cs1 ZINC000279605328 334110662 /nfs/dbraw/zinc/11/06/62/334110662.db2.gz WUMRSNBGCGQSCS-IVZWLZJFSA-N 1 1 303.353 3.895 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000366591350 334124338 /nfs/dbraw/zinc/12/43/38/334124338.db2.gz KVULUYIYDBKNSJ-UFYCRDLUSA-N 1 1 324.399 3.631 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000366591350 334124339 /nfs/dbraw/zinc/12/43/39/334124339.db2.gz KVULUYIYDBKNSJ-UFYCRDLUSA-N 1 1 324.399 3.631 20 30 DHEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000281983301 334130179 /nfs/dbraw/zinc/13/01/79/334130179.db2.gz MCNQOSZBIAGWKD-HKUYNNGSSA-N 1 1 312.457 3.965 20 30 DHEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1C ZINC000281983311 334130240 /nfs/dbraw/zinc/13/02/40/334130240.db2.gz MCVNDVFLPQEEKO-UHFFFAOYSA-N 1 1 300.446 3.918 20 30 DHEDMO C[C@H](C[N@@H+](C)CCCC1(C#N)CCOCC1)c1ccccc1 ZINC000282099015 334131383 /nfs/dbraw/zinc/13/13/83/334131383.db2.gz VVKDTBUGYWJAHP-QGZVFWFLSA-N 1 1 300.446 3.822 20 30 DHEDMO Cc1ccccc1[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000282134187 334131913 /nfs/dbraw/zinc/13/19/13/334131913.db2.gz ZAAGAZXWWZMJQA-SFHVURJKSA-N 1 1 312.457 3.885 20 30 DHEDMO CN1CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1Cc1ccccc1 ZINC000284780654 334144402 /nfs/dbraw/zinc/14/44/02/334144402.db2.gz NXHUYRNNWCWEDF-LJQANCHMSA-N 1 1 313.489 3.565 20 30 DHEDMO C[N@@H+]1CCN(CCCCC(C)(C)C#N)C[C@H]1Cc1ccccc1 ZINC000284780654 334144404 /nfs/dbraw/zinc/14/44/04/334144404.db2.gz NXHUYRNNWCWEDF-LJQANCHMSA-N 1 1 313.489 3.565 20 30 DHEDMO C[N@H+]1CCN(CCCCC(C)(C)C#N)C[C@H]1Cc1ccccc1 ZINC000284780654 334144406 /nfs/dbraw/zinc/14/44/06/334144406.db2.gz NXHUYRNNWCWEDF-LJQANCHMSA-N 1 1 313.489 3.565 20 30 DHEDMO C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000285380792 334147558 /nfs/dbraw/zinc/14/75/58/334147558.db2.gz BKSFUUZJZOOGBT-FUHWJXTLSA-N 1 1 311.473 3.546 20 30 DHEDMO C[C@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000285380792 334147559 /nfs/dbraw/zinc/14/75/59/334147559.db2.gz BKSFUUZJZOOGBT-FUHWJXTLSA-N 1 1 311.473 3.546 20 30 DHEDMO C[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)c1ccc(OCC#N)cc1 ZINC000285760138 334149877 /nfs/dbraw/zinc/14/98/77/334149877.db2.gz SOLDARKETWAWIW-VXGBXAGGSA-N 1 1 317.339 3.674 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 ZINC000286208206 334152030 /nfs/dbraw/zinc/15/20/30/334152030.db2.gz YFQQTVDJYWJUIG-HKBOAZHASA-N 1 1 318.420 3.563 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291844585 334182293 /nfs/dbraw/zinc/18/22/93/334182293.db2.gz OSSHVOASOIJHPY-HXUWFJFHSA-N 1 1 314.473 3.634 20 30 DHEDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)c(SC)cc1OC ZINC000293063034 334195426 /nfs/dbraw/zinc/19/54/26/334195426.db2.gz LFASQTCKOLADMH-JSGCOSHPSA-N 1 1 320.458 3.550 20 30 DHEDMO COc1ccc(Br)cc1C[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000293667166 334200441 /nfs/dbraw/zinc/20/04/41/334200441.db2.gz ZFQJRPCPRWEEFF-RISCZKNCSA-N 1 1 323.234 3.582 20 30 DHEDMO CCOc1cc2c(cc1OCC)C[N@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000293661967 334200459 /nfs/dbraw/zinc/20/04/59/334200459.db2.gz YUJCDRRBBJSNDW-RHSMWYFYSA-N 1 1 314.429 3.534 20 30 DHEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000295078784 334217688 /nfs/dbraw/zinc/21/76/88/334217688.db2.gz RSUZMPUHJHVACO-GWCFXTLKSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000295078784 334217690 /nfs/dbraw/zinc/21/76/90/334217690.db2.gz RSUZMPUHJHVACO-GWCFXTLKSA-N 1 1 300.299 3.860 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)cc1C#N ZINC000295094327 334218416 /nfs/dbraw/zinc/21/84/16/334218416.db2.gz UFFNZRKVJHDHHW-RISCZKNCSA-N 1 1 312.335 3.730 20 30 DHEDMO N#C[C@H]1CC[C@H]([N@H+]2CCCN(c3ccccc3Cl)CC2)C1 ZINC000296123391 334230109 /nfs/dbraw/zinc/23/01/09/334230109.db2.gz YOQFNJXSLBHVKC-GJZGRUSLSA-N 1 1 303.837 3.544 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000297962746 334245207 /nfs/dbraw/zinc/24/52/07/334245207.db2.gz UOXZEMPPWMLHTO-HNNXBMFYSA-N 1 1 305.853 3.540 20 30 DHEDMO CC(C)(C)N1CC[C@@H]([NH2+]CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000298627478 334250259 /nfs/dbraw/zinc/25/02/59/334250259.db2.gz VNTXBXYSAYTGNL-CVEARBPZSA-N 1 1 323.843 3.896 20 30 DHEDMO CCCCCCCC(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000299079682 334252880 /nfs/dbraw/zinc/25/28/80/334252880.db2.gz VYIDUMKQHGCZNL-UHFFFAOYSA-N 1 1 314.433 3.552 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000187717241 334269660 /nfs/dbraw/zinc/26/96/60/334269660.db2.gz KUVIIMAXIKHODZ-OXQOHEQNSA-N 1 1 306.409 3.563 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000187717241 334269661 /nfs/dbraw/zinc/26/96/61/334269661.db2.gz KUVIIMAXIKHODZ-OXQOHEQNSA-N 1 1 306.409 3.563 20 30 DHEDMO CCC[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1C#N ZINC000534487749 334276914 /nfs/dbraw/zinc/27/69/14/334276914.db2.gz VHYOJELHDFLMCD-UHFFFAOYSA-N 1 1 322.408 3.757 20 30 DHEDMO CCC[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1C#N ZINC000534487749 334276916 /nfs/dbraw/zinc/27/69/16/334276916.db2.gz VHYOJELHDFLMCD-UHFFFAOYSA-N 1 1 322.408 3.757 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c1 ZINC000534654930 334313360 /nfs/dbraw/zinc/31/33/60/334313360.db2.gz XBPVDYDZXOIVTJ-GOSISDBHSA-N 1 1 312.800 3.865 20 30 DHEDMO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000111258557 334314483 /nfs/dbraw/zinc/31/44/83/334314483.db2.gz RCNCMNBLBBQVHS-NSHDSACASA-N 1 1 310.800 3.704 20 30 DHEDMO C=C[C@H](CC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000121076694 334341340 /nfs/dbraw/zinc/34/13/40/334341340.db2.gz DHSWFCPEJKENGE-QZTJIDSGSA-N 1 1 314.473 3.583 20 30 DHEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)C3(C#N)CC(C)C3)c2C1 ZINC000535078819 334364850 /nfs/dbraw/zinc/36/48/50/334364850.db2.gz PXIQRQNFIZQVAK-UHFFFAOYSA-N 1 1 311.429 3.537 20 30 DHEDMO Cc1csc(C(C)(C)[NH2+]CC#Cc2cccc(Cl)c2)n1 ZINC000122148259 334371857 /nfs/dbraw/zinc/37/18/57/334371857.db2.gz CJOXLTUDZHXFLR-UHFFFAOYSA-N 1 1 304.846 3.981 20 30 DHEDMO Cn1cc(C[N@@H+](C)C[C@@H]2CC=CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000344071174 335214957 /nfs/dbraw/zinc/21/49/57/335214957.db2.gz RONYEURSDOOYNJ-QGZVFWFLSA-N 1 1 320.440 3.747 20 30 DHEDMO CC[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000344226479 335230134 /nfs/dbraw/zinc/23/01/34/335230134.db2.gz XUWMXNQYZXYDTP-YVEFUNNKSA-N 1 1 319.836 3.661 20 30 DHEDMO C[N@H+](CCC(C)(C)C#N)[C@H]1CCCN(CCC(C)(C)C#N)CC1 ZINC000345731718 335346264 /nfs/dbraw/zinc/34/62/64/335346264.db2.gz TVOXGBYTHQNJOY-KRWDZBQOSA-N 1 1 318.509 3.652 20 30 DHEDMO C[N@@H+](CCC(C)(C)C#N)[C@H]1CCCN(CCC(C)(C)C#N)CC1 ZINC000345731718 335346265 /nfs/dbraw/zinc/34/62/65/335346265.db2.gz TVOXGBYTHQNJOY-KRWDZBQOSA-N 1 1 318.509 3.652 20 30 DHEDMO CN(CCC(C)(C)C#N)[C@H]1CCC[N@H+](CCC(C)(C)C#N)CC1 ZINC000345731718 335346267 /nfs/dbraw/zinc/34/62/67/335346267.db2.gz TVOXGBYTHQNJOY-KRWDZBQOSA-N 1 1 318.509 3.652 20 30 DHEDMO CN(CCC(C)(C)C#N)[C@H]1CCC[N@@H+](CCC(C)(C)C#N)CC1 ZINC000345731718 335346268 /nfs/dbraw/zinc/34/62/68/335346268.db2.gz TVOXGBYTHQNJOY-KRWDZBQOSA-N 1 1 318.509 3.652 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000351591732 336047849 /nfs/dbraw/zinc/04/78/49/336047849.db2.gz GTHCQBNJNJPIHD-INIZCTEOSA-N 1 1 301.430 3.642 20 30 DHEDMO C=C(C)CCc1noc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000351620321 336051441 /nfs/dbraw/zinc/05/14/41/336051441.db2.gz OTRUJVFDIHXMOY-QGZVFWFLSA-N 1 1 311.429 3.958 20 30 DHEDMO C[C@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccc2c(c1)CC(=O)N2 ZINC000329816851 336085416 /nfs/dbraw/zinc/08/54/16/336085416.db2.gz WIMDZZBPDGSLFO-XQQFMLRXSA-N 1 1 315.417 3.721 20 30 DHEDMO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000329899467 336093348 /nfs/dbraw/zinc/09/33/48/336093348.db2.gz NAGOCKLSIXLKCT-ZOBYGRIGSA-N 1 1 321.465 3.546 20 30 DHEDMO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000329899467 336093349 /nfs/dbraw/zinc/09/33/49/336093349.db2.gz NAGOCKLSIXLKCT-ZOBYGRIGSA-N 1 1 321.465 3.546 20 30 DHEDMO CC(=O)NC1(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CCCCC1 ZINC000329953716 336099403 /nfs/dbraw/zinc/09/94/03/336099403.db2.gz NLBXWMIRZAGDAH-INIZCTEOSA-N 1 1 321.465 3.639 20 30 DHEDMO C[C@H](NC(=O)c1coc(C2CCCCC2)n1)C1=CC[N@@H+](C)CC1 ZINC000330178820 336121001 /nfs/dbraw/zinc/12/10/01/336121001.db2.gz LXSAIUKOVPGHBE-ZDUSSCGKSA-N 1 1 317.433 3.677 20 30 DHEDMO CCn1c2ccc(C)cc2nc1NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330223103 336126382 /nfs/dbraw/zinc/12/63/82/336126382.db2.gz MWHNSQPPSGKMTB-INIZCTEOSA-N 1 1 312.417 3.579 20 30 DHEDMO Cc1nc2cc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)ccc2o1 ZINC000330308475 336146567 /nfs/dbraw/zinc/14/65/67/336146567.db2.gz SUPBDUKIAYULKW-AWEZNQCLSA-N 1 1 301.390 3.989 20 30 DHEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2Cl)[C@H]1[C@@H]1CCCO1 ZINC000351981602 336185597 /nfs/dbraw/zinc/18/55/97/336185597.db2.gz KJAKZVOZQLCUII-HOTGVXAUSA-N 1 1 304.821 3.601 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2Cl)[C@H]1[C@@H]1CCCO1 ZINC000351981602 336185598 /nfs/dbraw/zinc/18/55/98/336185598.db2.gz KJAKZVOZQLCUII-HOTGVXAUSA-N 1 1 304.821 3.601 20 30 DHEDMO C[C@H](C#N)C[N@H+](C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000352079597 336193601 /nfs/dbraw/zinc/19/36/01/336193601.db2.gz MUPSCOYWMOJFGS-OAHLLOKOSA-N 1 1 304.397 3.617 20 30 DHEDMO C[C@H](C#N)C[N@@H+](C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000352079597 336193602 /nfs/dbraw/zinc/19/36/02/336193602.db2.gz MUPSCOYWMOJFGS-OAHLLOKOSA-N 1 1 304.397 3.617 20 30 DHEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000352079596 336193617 /nfs/dbraw/zinc/19/36/17/336193617.db2.gz MUPSCOYWMOJFGS-HNNXBMFYSA-N 1 1 304.397 3.617 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000352079596 336193619 /nfs/dbraw/zinc/19/36/19/336193619.db2.gz MUPSCOYWMOJFGS-HNNXBMFYSA-N 1 1 304.397 3.617 20 30 DHEDMO N#CC1(F)CC[NH+](Cc2ccc(Cl)c3cccnc23)CC1 ZINC000352467700 336220502 /nfs/dbraw/zinc/22/05/02/336220502.db2.gz MTPFSAJPMFRPBG-UHFFFAOYSA-N 1 1 303.768 3.716 20 30 DHEDMO C=C(C)COc1cc(C[N@H+](C)Cc2ccoc2)ccc1OC ZINC000352647657 336228525 /nfs/dbraw/zinc/22/85/25/336228525.db2.gz ZQJRPXZFYODMDT-UHFFFAOYSA-N 1 1 301.386 3.875 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C)Cc2ccoc2)ccc1OC ZINC000352647657 336228526 /nfs/dbraw/zinc/22/85/26/336228526.db2.gz ZQJRPXZFYODMDT-UHFFFAOYSA-N 1 1 301.386 3.875 20 30 DHEDMO CC[C@H]1CCC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000352655843 336229034 /nfs/dbraw/zinc/22/90/34/336229034.db2.gz WYHZMANBIGMFHX-INIZCTEOSA-N 1 1 302.418 3.752 20 30 DHEDMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1Cl ZINC000042268148 336238272 /nfs/dbraw/zinc/23/82/72/336238272.db2.gz DSWHLAZGUQYPGZ-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000352804216 336240831 /nfs/dbraw/zinc/24/08/31/336240831.db2.gz ZWPZQNSPCOJOMI-ROUUACIJSA-N 1 1 311.473 3.645 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000532626122 336258100 /nfs/dbraw/zinc/25/81/00/336258100.db2.gz KVJUAFYPJGEXJT-CABCVRRESA-N 1 1 316.470 3.803 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@@H]2CCc3ccccc3C2)cc1C#N ZINC000532746259 336269399 /nfs/dbraw/zinc/26/93/99/336269399.db2.gz WEZPYDOOYWVKPO-LJQANCHMSA-N 1 1 306.409 3.556 20 30 DHEDMO CC[C@@H]1CCCC[N@H+]1CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000538506726 336270256 /nfs/dbraw/zinc/27/02/56/336270256.db2.gz UHPQBMKZPNNXMR-RHSMWYFYSA-N 1 1 303.425 3.612 20 30 DHEDMO CC[C@@H]1CCCCN1CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000538506726 336270257 /nfs/dbraw/zinc/27/02/57/336270257.db2.gz UHPQBMKZPNNXMR-RHSMWYFYSA-N 1 1 303.425 3.612 20 30 DHEDMO CCCOc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352832688 336270341 /nfs/dbraw/zinc/27/03/41/336270341.db2.gz FYNBSLRDTLYZEZ-LBPRGKRZSA-N 1 1 301.415 3.654 20 30 DHEDMO N#Cc1c(F)cccc1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192958688 336285991 /nfs/dbraw/zinc/28/59/91/336285991.db2.gz LHSZXCKUDQXVQX-INIZCTEOSA-N 1 1 309.388 3.631 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc(C#N)cc2F)cc1F ZINC000301137361 336291752 /nfs/dbraw/zinc/29/17/52/336291752.db2.gz CBKCAVABYRPZMI-UHFFFAOYSA-N 1 1 324.334 3.943 20 30 DHEDMO N#Cc1ccc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000301209049 336294934 /nfs/dbraw/zinc/29/49/34/336294934.db2.gz TYULSUXSPZFRCO-IBGZPJMESA-N 1 1 305.425 3.535 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNc3cccc(C#N)n3)cc2)C1 ZINC000301260064 336297393 /nfs/dbraw/zinc/29/73/93/336297393.db2.gz FULMJPHKMUODBM-INIZCTEOSA-N 1 1 320.440 3.797 20 30 DHEDMO C[C@@H](CNc1ccc(Cl)c(C#N)n1)[N@@H+](C)Cc1ccccc1 ZINC000301283941 336298659 /nfs/dbraw/zinc/29/86/59/336298659.db2.gz UUCVEYSQQDIVNX-ZDUSSCGKSA-N 1 1 314.820 3.539 20 30 DHEDMO N#Cc1ccc(Cl)cc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301751519 336327617 /nfs/dbraw/zinc/32/76/17/336327617.db2.gz BBNDBEBHEBMIMH-WMLDXEAASA-N 1 1 315.848 3.665 20 30 DHEDMO C[C@@H]1CCC[N@H+]1C1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000301792526 336330167 /nfs/dbraw/zinc/33/01/67/336330167.db2.gz RGWIAQSIIAQHFH-CYBMUJFWSA-N 1 1 303.837 3.665 20 30 DHEDMO C=CC[NH+](CC=C)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000514117052 336367916 /nfs/dbraw/zinc/36/79/16/336367916.db2.gz PXNZRWWPLZKRFV-CQSZACIVSA-N 1 1 306.837 3.533 20 30 DHEDMO CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC(C)(C)O ZINC000514120216 336370201 /nfs/dbraw/zinc/37/02/01/336370201.db2.gz GSNVHONXNVDIFN-UHFFFAOYSA-N 1 1 308.425 3.818 20 30 DHEDMO C#CCOc1ccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)cc1 ZINC000113337797 336400592 /nfs/dbraw/zinc/40/05/92/336400592.db2.gz ORCLKFQFQYZITB-UHFFFAOYSA-N 1 1 314.454 3.742 20 30 DHEDMO N#Cc1csc(C[NH2+][C@@H]2CCOc3c(F)ccc(F)c32)c1 ZINC000361254032 336747173 /nfs/dbraw/zinc/74/71/73/336747173.db2.gz VRRDHVGFQSKZMY-CYBMUJFWSA-N 1 1 306.337 3.511 20 30 DHEDMO N#Cc1ccc(F)cc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000372736654 336938475 /nfs/dbraw/zinc/93/84/75/336938475.db2.gz CGUVRTMJIBLBFC-UHFFFAOYSA-N 1 1 322.383 3.719 20 30 DHEDMO COc1cc(C#N)ccc1C[NH2+]C(C)(C)c1nc(C)c(C)s1 ZINC000121466612 336955043 /nfs/dbraw/zinc/95/50/43/336955043.db2.gz WOPFHORLNIJAHO-UHFFFAOYSA-N 1 1 315.442 3.665 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000582416187 336969343 /nfs/dbraw/zinc/96/93/43/336969343.db2.gz ZMJQGYQZVBXGDV-YLJYHZDGSA-N 1 1 319.408 3.840 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000375686580 337016480 /nfs/dbraw/zinc/01/64/80/337016480.db2.gz DIGJJNCVXCNFEN-MOPGFXCFSA-N 1 1 314.473 3.804 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2Cc3ccccc3C3(CCC3)C2)cc1 ZINC000375685742 337016532 /nfs/dbraw/zinc/01/65/32/337016532.db2.gz ULCPNNNLKFPIIX-FQEVSTJZSA-N 1 1 318.420 3.529 20 30 DHEDMO C=CC[C@H](CC)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000376382572 337032391 /nfs/dbraw/zinc/03/23/91/337032391.db2.gz FBWXAVQDOVXHSF-JKSUJKDBSA-N 1 1 318.465 3.535 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H]2CCCc3cccnc32)cc1 ZINC000377246817 337049325 /nfs/dbraw/zinc/04/93/25/337049325.db2.gz WRGKWHUGLLMNCT-HNAYVOBHSA-N 1 1 321.424 3.882 20 30 DHEDMO CCCCCCCCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000377688684 337058522 /nfs/dbraw/zinc/05/85/22/337058522.db2.gz AOTIHPYMSGETET-MRXNPFEDSA-N 1 1 305.466 3.621 20 30 DHEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000378401639 337071837 /nfs/dbraw/zinc/07/18/37/337071837.db2.gz XZAXMLNFGAHEMS-UHFFFAOYSA-N 1 1 315.461 3.829 20 30 DHEDMO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000378515176 337074978 /nfs/dbraw/zinc/07/49/78/337074978.db2.gz FXHWLNLYEQABJS-NDXORKPFSA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@H](NC[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000378515176 337074979 /nfs/dbraw/zinc/07/49/79/337074979.db2.gz FXHWLNLYEQABJS-NDXORKPFSA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@H](NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000378515176 337074980 /nfs/dbraw/zinc/07/49/80/337074980.db2.gz FXHWLNLYEQABJS-NDXORKPFSA-N 1 1 319.452 3.902 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000174813537 337143602 /nfs/dbraw/zinc/14/36/02/337143602.db2.gz XVFYSDKJZKWLCM-MRXNPFEDSA-N 1 1 313.445 3.667 20 30 DHEDMO C=CCCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000175731959 337147177 /nfs/dbraw/zinc/14/71/77/337147177.db2.gz SKVMTBAFCJNUAE-PKOBYXMFSA-N 1 1 314.473 3.854 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+](C)[C@H]2CCCC[C@@H]2C)c(C#N)c1C ZINC000177017647 337152821 /nfs/dbraw/zinc/15/28/21/337152821.db2.gz BPIHBASDWVXBKE-NHYWBVRUSA-N 1 1 319.474 3.686 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2cccnc2)s1 ZINC000176962316 337153864 /nfs/dbraw/zinc/15/38/64/337153864.db2.gz LADGIMIHHUXCOH-SFHVURJKSA-N 1 1 305.406 3.894 20 30 DHEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000177824799 337157686 /nfs/dbraw/zinc/15/76/86/337157686.db2.gz RFSSOIOOPPMDMP-QRWLVFNGSA-N 1 1 319.408 3.580 20 30 DHEDMO C=CC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000063494738 337281799 /nfs/dbraw/zinc/28/17/99/337281799.db2.gz YADONGVBCPZXJX-UHFFFAOYSA-N 1 1 319.408 3.575 20 30 DHEDMO C=CCC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000189960812 337283631 /nfs/dbraw/zinc/28/36/31/337283631.db2.gz MTUANDPTYIIQNI-MJGOQNOKSA-N 1 1 314.473 3.537 20 30 DHEDMO C=CCC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000189960794 337283655 /nfs/dbraw/zinc/28/36/55/337283655.db2.gz MTUANDPTYIIQNI-HKUYNNGSSA-N 1 1 314.473 3.537 20 30 DHEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+](CCCCC#N)C1CC1 ZINC000190945077 337291579 /nfs/dbraw/zinc/29/15/79/337291579.db2.gz CSDQHNOCZITLQX-MRXNPFEDSA-N 1 1 321.465 3.544 20 30 DHEDMO CCN(C)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000191224070 337295055 /nfs/dbraw/zinc/29/50/55/337295055.db2.gz NLPNDXXISUTFGV-UHFFFAOYSA-N 1 1 320.440 3.574 20 30 DHEDMO Cn1cc(C[N@H+](CCC(F)(F)F)Cc2ccccc2)cc1C#N ZINC000191781693 337300126 /nfs/dbraw/zinc/30/01/26/337300126.db2.gz QIOREQQAXSUZCJ-UHFFFAOYSA-N 1 1 321.346 3.851 20 30 DHEDMO Cn1cc(C[N@@H+](CCC(F)(F)F)Cc2ccccc2)cc1C#N ZINC000191781693 337300127 /nfs/dbraw/zinc/30/01/27/337300127.db2.gz QIOREQQAXSUZCJ-UHFFFAOYSA-N 1 1 321.346 3.851 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1F ZINC000191990014 337302623 /nfs/dbraw/zinc/30/26/23/337302623.db2.gz IHQYTRIEPQYLMT-QGZVFWFLSA-N 1 1 324.355 3.763 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1F ZINC000191990014 337302624 /nfs/dbraw/zinc/30/26/24/337302624.db2.gz IHQYTRIEPQYLMT-QGZVFWFLSA-N 1 1 324.355 3.763 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)cc1F ZINC000192105129 337302863 /nfs/dbraw/zinc/30/28/63/337302863.db2.gz YJBWFTIDFXZHFT-HXUWFJFHSA-N 1 1 324.399 3.569 20 30 DHEDMO CC[C@@](C)([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(C)cs1 ZINC000192112518 337302929 /nfs/dbraw/zinc/30/29/29/337302929.db2.gz ZWXHHLWWSPMKTH-MRXNPFEDSA-N 1 1 303.406 3.877 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000532919625 337305566 /nfs/dbraw/zinc/30/55/66/337305566.db2.gz VHDVLZJTCCKUOH-UHFFFAOYSA-N 1 1 320.742 3.805 20 30 DHEDMO C=CCCCCC[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000193315043 337309878 /nfs/dbraw/zinc/30/98/78/337309878.db2.gz UAGVHALKTXJVJQ-UHFFFAOYSA-N 1 1 306.475 3.642 20 30 DHEDMO C[N@H+]1CCCC12CCN(c1cccc(C(F)F)c1C#N)CC2 ZINC000584665211 337379845 /nfs/dbraw/zinc/37/98/45/337379845.db2.gz DVPAXNSPIGSGFG-UHFFFAOYSA-N 1 1 305.372 3.560 20 30 DHEDMO CCCCCCCCCC[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000584650084 337380621 /nfs/dbraw/zinc/38/06/21/337380621.db2.gz VMDXIZMOOCYQSW-KRWDZBQOSA-N 1 1 311.514 3.863 20 30 DHEDMO Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)c1C ZINC000026329996 337387039 /nfs/dbraw/zinc/38/70/39/337387039.db2.gz ANTUMOIWEDLIJQ-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c1C ZINC000026329996 337387040 /nfs/dbraw/zinc/38/70/40/337387040.db2.gz ANTUMOIWEDLIJQ-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1sc(C[NH2+]Cc2ccc(C#N)c(F)c2)nc1C(C)C ZINC000421328062 337526644 /nfs/dbraw/zinc/52/66/44/337526644.db2.gz RLUIRGJMECZQOP-UHFFFAOYSA-N 1 1 303.406 3.876 20 30 DHEDMO C=CCC[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccccc1 ZINC000269434570 337637384 /nfs/dbraw/zinc/63/73/84/337637384.db2.gz QLIOAYVUNAKDCF-QGZVFWFLSA-N 1 1 310.445 3.802 20 30 DHEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCCC[C@H]1O ZINC000426199069 338022602 /nfs/dbraw/zinc/02/26/02/338022602.db2.gz POHCDFFEQHVACX-NHCUHLMSSA-N 1 1 320.436 3.961 20 30 DHEDMO COc1ccc([C@H]([NH2+]Cc2cccc(F)c2C#N)C2CC2)cc1 ZINC000428340358 338047900 /nfs/dbraw/zinc/04/79/00/338047900.db2.gz IOFRBUVDGKHZOB-LJQANCHMSA-N 1 1 310.372 3.947 20 30 DHEDMO CCC[N@@H+](C)CC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000428365135 338049044 /nfs/dbraw/zinc/04/90/44/338049044.db2.gz AZULTVHAKZXWMY-UHFFFAOYSA-N 1 1 323.396 3.631 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000428782437 338061006 /nfs/dbraw/zinc/06/10/06/338061006.db2.gz UIZZSFWZBKISKA-LPHOPBHVSA-N 1 1 301.430 3.548 20 30 DHEDMO CC[C@H](c1ccccc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428785193 338061038 /nfs/dbraw/zinc/06/10/38/338061038.db2.gz QFNZKODPQORDJW-ZWKOTPCHSA-N 1 1 307.397 3.558 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000428849280 338062185 /nfs/dbraw/zinc/06/21/85/338062185.db2.gz KWMQTAJGBLURBY-KRWDZBQOSA-N 1 1 302.462 3.883 20 30 DHEDMO C[C@]1(O)CCCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428994874 338068279 /nfs/dbraw/zinc/06/82/79/338068279.db2.gz PYWPFMTZWUVKAU-NEWSRXKRSA-N 1 1 316.420 3.603 20 30 DHEDMO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCCCC#N ZINC000429161287 338072167 /nfs/dbraw/zinc/07/21/67/338072167.db2.gz JIKKPCAJZYZLIG-ZDUSSCGKSA-N 1 1 309.816 3.683 20 30 DHEDMO CC(C)(C)c1nnc(C[NH2+][C@@H](CCCC#N)c2ccccc2)[nH]1 ZINC000433028106 338177272 /nfs/dbraw/zinc/17/72/72/338177272.db2.gz NOBRRJIEAHMEHX-HNNXBMFYSA-N 1 1 311.433 3.627 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCSC(C)(C)CC2)cc1OC ZINC000435051358 338231005 /nfs/dbraw/zinc/23/10/05/338231005.db2.gz WVUVBCJESUYTEL-UHFFFAOYSA-N 1 1 321.486 3.978 20 30 DHEDMO N#Cc1cccc(C#N)c1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435600524 338243205 /nfs/dbraw/zinc/24/32/05/338243205.db2.gz CUDUHGUBBJRPOC-GOSISDBHSA-N 1 1 308.429 3.639 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000437548888 338313264 /nfs/dbraw/zinc/31/32/64/338313264.db2.gz TUMKKSFOAWQJBP-UHFFFAOYSA-N 1 1 324.399 3.913 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000438482015 338345463 /nfs/dbraw/zinc/34/54/63/338345463.db2.gz ZMTFFAUYCGILBH-BEFAXECRSA-N 1 1 306.409 3.945 20 30 DHEDMO C[NH+](C)CCCC1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439432399 338369196 /nfs/dbraw/zinc/36/91/96/338369196.db2.gz TVWGCVUIVSUOCQ-UHFFFAOYSA-N 1 1 319.880 3.765 20 30 DHEDMO COc1cccc(C2=CC[N@H+](CC#Cc3ccc(F)cc3)CC2)c1 ZINC000440567029 338390543 /nfs/dbraw/zinc/39/05/43/338390543.db2.gz SVSFOUREPLKMQH-UHFFFAOYSA-N 1 1 321.395 3.975 20 30 DHEDMO COc1cccc(C2=CC[N@@H+](CC#Cc3ccc(F)cc3)CC2)c1 ZINC000440567029 338390544 /nfs/dbraw/zinc/39/05/44/338390544.db2.gz SVSFOUREPLKMQH-UHFFFAOYSA-N 1 1 321.395 3.975 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1Cl ZINC000449572084 338638823 /nfs/dbraw/zinc/63/88/23/338638823.db2.gz MRRIYWFQFBRGRM-IUODEOHRSA-N 1 1 317.820 3.897 20 30 DHEDMO C=CCC[C@H]([NH2+]C1CCC(OC2CCCC2)CC1)C(=O)OCC ZINC000449653381 338644407 /nfs/dbraw/zinc/64/44/07/338644407.db2.gz CBYWOCHJUUAUQJ-VJFUWPCTSA-N 1 1 323.477 3.744 20 30 DHEDMO C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OCC ZINC000449652687 338644421 /nfs/dbraw/zinc/64/44/21/338644421.db2.gz BEWXUQCYYSZUDB-UPJWGTAASA-N 1 1 307.356 3.595 20 30 DHEDMO CC(C)(C)c1cnc(C[NH2+]Cc2ccc(C#N)c(F)c2)s1 ZINC000449735097 338649047 /nfs/dbraw/zinc/64/90/47/338649047.db2.gz GCKATOMCALJVKD-UHFFFAOYSA-N 1 1 303.406 3.741 20 30 DHEDMO CCOc1cc(C[N@H+](CCC#N)CC(CC)CC)ccc1O ZINC000459344936 339023142 /nfs/dbraw/zinc/02/31/42/339023142.db2.gz VLPVAPJYQILBGW-UHFFFAOYSA-N 1 1 304.434 3.943 20 30 DHEDMO CCOc1cc(C[N@@H+](CCC#N)CC(CC)CC)ccc1O ZINC000459344936 339023143 /nfs/dbraw/zinc/02/31/43/339023143.db2.gz VLPVAPJYQILBGW-UHFFFAOYSA-N 1 1 304.434 3.943 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)CCO2)c1 ZINC000459357903 339024085 /nfs/dbraw/zinc/02/40/85/339024085.db2.gz MLCJIVMQDUYXKK-ACRUOGEOSA-N 1 1 318.420 3.735 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000459482634 339031793 /nfs/dbraw/zinc/03/17/93/339031793.db2.gz YHAUWUFCTOYRFV-MRXNPFEDSA-N 1 1 313.382 3.769 20 30 DHEDMO CC(C)(CCC#N)C[NH+]1CC(OCCCc2ccccc2)C1 ZINC000459595233 339037917 /nfs/dbraw/zinc/03/79/17/339037917.db2.gz RJKGIOBJYJFCPY-UHFFFAOYSA-N 1 1 300.446 3.650 20 30 DHEDMO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000459703600 339043608 /nfs/dbraw/zinc/04/36/08/339043608.db2.gz GEXVFEVIHOBGKC-OAHLLOKOSA-N 1 1 324.371 3.551 20 30 DHEDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000459703600 339043609 /nfs/dbraw/zinc/04/36/09/339043609.db2.gz GEXVFEVIHOBGKC-OAHLLOKOSA-N 1 1 324.371 3.551 20 30 DHEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000459755708 339046370 /nfs/dbraw/zinc/04/63/70/339046370.db2.gz FLWUOXBFBARFGM-INIZCTEOSA-N 1 1 318.436 3.789 20 30 DHEDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000461369732 339062598 /nfs/dbraw/zinc/06/25/98/339062598.db2.gz IABZUEMABNWDRK-FQEVSTJZSA-N 1 1 319.452 3.853 20 30 DHEDMO CC#CCC[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000462321641 339075833 /nfs/dbraw/zinc/07/58/33/339075833.db2.gz VYSOFLAPCXOEPJ-UHFFFAOYSA-N 1 1 300.229 3.591 20 30 DHEDMO CC(C)[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000463232751 339110792 /nfs/dbraw/zinc/11/07/92/339110792.db2.gz IRSRUXYDFZYFRQ-MRXNPFEDSA-N 1 1 311.347 3.556 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(C)(C)C ZINC000463372072 339116033 /nfs/dbraw/zinc/11/60/33/339116033.db2.gz ZAKDSCGQTOYJMZ-UHFFFAOYSA-N 1 1 307.825 3.518 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000467285075 339229831 /nfs/dbraw/zinc/22/98/31/339229831.db2.gz XVIQSZIBTVQXBJ-UHFFFAOYSA-N 1 1 324.424 3.712 20 30 DHEDMO C=CCC[N@H+](C)Cc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000467295682 339230306 /nfs/dbraw/zinc/23/03/06/339230306.db2.gz SPHJFSADJVZQRV-UHFFFAOYSA-N 1 1 316.426 3.605 20 30 DHEDMO C=CCC[N@H+](C)[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000467302359 339230481 /nfs/dbraw/zinc/23/04/81/339230481.db2.gz YPQIMKNBSNPUHC-LJQANCHMSA-N 1 1 324.424 3.883 20 30 DHEDMO C=CCC[N@@H+](C)CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000467303421 339230624 /nfs/dbraw/zinc/23/06/24/339230624.db2.gz YXEKJWBOEFSZSA-UHFFFAOYSA-N 1 1 303.381 3.625 20 30 DHEDMO C=CCC[N@H+](C)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000467386820 339235910 /nfs/dbraw/zinc/23/59/10/339235910.db2.gz AXBHCXXKFDSNFB-UHFFFAOYSA-N 1 1 309.335 3.899 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000467890159 339248715 /nfs/dbraw/zinc/24/87/15/339248715.db2.gz OOVCWDHWXSQEIK-PMACEKPBSA-N 1 1 314.473 3.760 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000468000372 339250913 /nfs/dbraw/zinc/25/09/13/339250913.db2.gz NNFRDLMTMDQZST-AZUAARDMSA-N 1 1 314.473 3.712 20 30 DHEDMO CCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000468272461 339258405 /nfs/dbraw/zinc/25/84/05/339258405.db2.gz MJFBNPZMOXCJSH-KBAYOESNSA-N 1 1 316.420 3.723 20 30 DHEDMO CC(C)C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000468962231 339276192 /nfs/dbraw/zinc/27/61/92/339276192.db2.gz NUPWQPZRJYKUMP-JKSUJKDBSA-N 1 1 313.445 3.643 20 30 DHEDMO CCC[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000469280024 339284941 /nfs/dbraw/zinc/28/49/41/339284941.db2.gz XVPGIXWGDPLSID-RCCFBDPRSA-N 1 1 316.420 3.723 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000469448480 339289642 /nfs/dbraw/zinc/28/96/42/339289642.db2.gz PWSKAZHDFQADDB-CYBMUJFWSA-N 1 1 316.326 3.965 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000469448480 339289643 /nfs/dbraw/zinc/28/96/43/339289643.db2.gz PWSKAZHDFQADDB-CYBMUJFWSA-N 1 1 316.326 3.965 20 30 DHEDMO C=CCCCC(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000469751857 339297630 /nfs/dbraw/zinc/29/76/30/339297630.db2.gz KSBLXDPRTVMOCL-SFHVURJKSA-N 1 1 302.462 3.616 20 30 DHEDMO C=CCOCCC[N@H+](C)Cc1ccc(Br)cc1C ZINC000470876792 339330095 /nfs/dbraw/zinc/33/00/95/339330095.db2.gz ZNZWAYMOYUQHLV-UHFFFAOYSA-N 1 1 312.251 3.782 20 30 DHEDMO C=C(C)C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000470926106 339331368 /nfs/dbraw/zinc/33/13/68/339331368.db2.gz NOGUYJXHDOAWHX-UHFFFAOYSA-N 1 1 319.408 3.575 20 30 DHEDMO C=C(C)C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000470926106 339331369 /nfs/dbraw/zinc/33/13/69/339331369.db2.gz NOGUYJXHDOAWHX-UHFFFAOYSA-N 1 1 319.408 3.575 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000472686780 339376278 /nfs/dbraw/zinc/37/62/78/339376278.db2.gz XRGMXOIZVWIFGL-GFCCVEGCSA-N 1 1 300.229 3.679 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000472686780 339376279 /nfs/dbraw/zinc/37/62/79/339376279.db2.gz XRGMXOIZVWIFGL-GFCCVEGCSA-N 1 1 300.229 3.679 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000472744159 339376783 /nfs/dbraw/zinc/37/67/83/339376783.db2.gz BQFCZBDCAITRPZ-CTNGQTDRSA-N 1 1 307.437 3.961 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000472749802 339376887 /nfs/dbraw/zinc/37/68/87/339376887.db2.gz LUQYJCJYXVKYHH-HKUYNNGSSA-N 1 1 303.446 3.939 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CC1CCCC1 ZINC000473745047 339391134 /nfs/dbraw/zinc/39/11/34/339391134.db2.gz QVWWJKDLNJHLAR-IBGZPJMESA-N 1 1 300.446 3.711 20 30 DHEDMO CC#CCC[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000482156459 339625064 /nfs/dbraw/zinc/62/50/64/339625064.db2.gz IMTYPXPUSNLMKQ-UHFFFAOYSA-N 1 1 320.845 3.879 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000499065309 340029114 /nfs/dbraw/zinc/02/91/14/340029114.db2.gz QYZOYLLXVASRRH-OWCLPIDISA-N 1 1 320.502 3.629 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000499065309 340029115 /nfs/dbraw/zinc/02/91/15/340029115.db2.gz QYZOYLLXVASRRH-OWCLPIDISA-N 1 1 320.502 3.629 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1cccc(Cl)c1 ZINC000501271341 340077716 /nfs/dbraw/zinc/07/77/16/340077716.db2.gz WAFQWFIBJFNTHL-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000501271341 340077717 /nfs/dbraw/zinc/07/77/17/340077717.db2.gz WAFQWFIBJFNTHL-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(CC)C1CCCCC1)Cc1ccccc1 ZINC000502297152 340099090 /nfs/dbraw/zinc/09/90/90/340099090.db2.gz AQLIEVXKHQKGEY-UHFFFAOYSA-N 1 1 314.473 3.856 20 30 DHEDMO C=CC[N@H+](CC(=O)N(CC)C1CCCCC1)Cc1ccccc1 ZINC000502297152 340099091 /nfs/dbraw/zinc/09/90/91/340099091.db2.gz AQLIEVXKHQKGEY-UHFFFAOYSA-N 1 1 314.473 3.856 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NC1CCCCC1 ZINC000502449664 340103978 /nfs/dbraw/zinc/10/39/78/340103978.db2.gz MNBDYOCFDLLOHG-INIZCTEOSA-N 1 1 300.446 3.512 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NC1CCCCC1 ZINC000502449664 340103979 /nfs/dbraw/zinc/10/39/79/340103979.db2.gz MNBDYOCFDLLOHG-INIZCTEOSA-N 1 1 300.446 3.512 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000502464577 340104783 /nfs/dbraw/zinc/10/47/83/340104783.db2.gz BHSAPZGLUOWQHQ-OAHLLOKOSA-N 1 1 312.388 3.841 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000502464577 340104784 /nfs/dbraw/zinc/10/47/84/340104784.db2.gz BHSAPZGLUOWQHQ-OAHLLOKOSA-N 1 1 312.388 3.841 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000502468845 340105013 /nfs/dbraw/zinc/10/50/13/340105013.db2.gz MWRMZPZCJNVXST-SFHVURJKSA-N 1 1 322.452 3.688 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000502468845 340105014 /nfs/dbraw/zinc/10/50/14/340105014.db2.gz MWRMZPZCJNVXST-SFHVURJKSA-N 1 1 322.452 3.688 20 30 DHEDMO COc1ccc(F)cc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502504617 340106287 /nfs/dbraw/zinc/10/62/87/340106287.db2.gz BCFXKOOQCGJEGC-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO COc1ccc(F)cc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502504617 340106288 /nfs/dbraw/zinc/10/62/88/340106288.db2.gz BCFXKOOQCGJEGC-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000505010657 340158564 /nfs/dbraw/zinc/15/85/64/340158564.db2.gz JUHPKVQOSBQNGP-GOSISDBHSA-N 1 1 315.461 3.609 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1cc(Br)c(OC)s1 ZINC000505859320 340179882 /nfs/dbraw/zinc/17/98/82/340179882.db2.gz UKMTVHKFBTXZLC-UHFFFAOYSA-N 1 1 304.253 3.917 20 30 DHEDMO C=CC[NH+](CC=C)Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000505863997 340180059 /nfs/dbraw/zinc/18/00/59/340180059.db2.gz ISECOOLYPSFMBU-UHFFFAOYSA-N 1 1 317.383 3.941 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000505902331 340181170 /nfs/dbraw/zinc/18/11/70/340181170.db2.gz FGMQOODJZZUFNB-UHFFFAOYSA-N 1 1 300.305 3.594 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1cc(OC)ccc1OC ZINC000506004959 340182948 /nfs/dbraw/zinc/18/29/48/340182948.db2.gz LSXINBSBAXPLKN-UHFFFAOYSA-N 1 1 303.427 3.954 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc(OC)ccc1OC ZINC000506004959 340182949 /nfs/dbraw/zinc/18/29/49/340182949.db2.gz LSXINBSBAXPLKN-UHFFFAOYSA-N 1 1 303.427 3.954 20 30 DHEDMO Cc1ccccc1[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000507184485 340211639 /nfs/dbraw/zinc/21/16/39/340211639.db2.gz SCZZNRVELAXXJZ-SFHVURJKSA-N 1 1 306.409 3.735 20 30 DHEDMO Cn1nccc1-c1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000507187983 340211953 /nfs/dbraw/zinc/21/19/53/340211953.db2.gz DWJQBADVLIJLBL-UHFFFAOYSA-N 1 1 316.408 3.591 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000507206435 340213116 /nfs/dbraw/zinc/21/31/16/340213116.db2.gz OEFMPCAMDCIBKF-MSOLQXFVSA-N 1 1 314.473 3.597 20 30 DHEDMO CC(C)C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000507784458 340231335 /nfs/dbraw/zinc/23/13/35/340231335.db2.gz LQQCSALJZXGZEM-UHFFFAOYSA-N 1 1 318.424 3.864 20 30 DHEDMO C=CCc1cc(C[N@@H+]([C@H](C)C2CC2)C2CC2)cc(OC)c1O ZINC000508012142 340237259 /nfs/dbraw/zinc/23/72/59/340237259.db2.gz DCBHDVKGRYKZJE-CYBMUJFWSA-N 1 1 301.430 3.892 20 30 DHEDMO C=CC[N@H+](Cc1ccc2c(c1)oc(=O)n2C)CC1CCCCC1 ZINC000508552734 340246370 /nfs/dbraw/zinc/24/63/70/340246370.db2.gz ORTLYIHRVIAVQW-UHFFFAOYSA-N 1 1 314.429 3.700 20 30 DHEDMO COc1ccc(F)c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000509105656 340261384 /nfs/dbraw/zinc/26/13/84/340261384.db2.gz ANKBNFJSLAZWDB-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO COc1ccc(F)c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000509105656 340261385 /nfs/dbraw/zinc/26/13/85/340261385.db2.gz ANKBNFJSLAZWDB-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCc2c(Br)cccc2[C@H]1C ZINC000509415614 340268683 /nfs/dbraw/zinc/26/86/83/340268683.db2.gz KGPDRZPHZUKGGP-OLZOCXBDSA-N 1 1 324.262 3.695 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)CCO2 ZINC000510647838 340304848 /nfs/dbraw/zinc/30/48/48/340304848.db2.gz UHVZEAVQEFLGQW-UHFFFAOYSA-N 1 1 309.409 3.818 20 30 DHEDMO CC(C)(C)c1cccc(OCC[NH+]2CCC(F)(C#N)CC2)c1 ZINC000510912288 340314550 /nfs/dbraw/zinc/31/45/50/340314550.db2.gz ABAFWRPQAOOEQV-UHFFFAOYSA-N 1 1 304.409 3.691 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000511480077 340328136 /nfs/dbraw/zinc/32/81/36/340328136.db2.gz SUMNFBOBBDAJOR-MRXNPFEDSA-N 1 1 300.402 3.966 20 30 DHEDMO C[C@H]1C[C@@H](CCNc2ccc(C#N)nc2)C[N@H+]1Cc1ccccc1 ZINC000511602752 340332079 /nfs/dbraw/zinc/33/20/79/340332079.db2.gz GFRTVROZXYFYSB-FUHWJXTLSA-N 1 1 320.440 3.666 20 30 DHEDMO C[C@@H]1C[C@@H](CCNc2cccc(C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000511605772 340332174 /nfs/dbraw/zinc/33/21/74/340332174.db2.gz WTMZKEGYVSXVCI-SJLPKXTDSA-N 1 1 320.440 3.666 20 30 DHEDMO C[C@@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccc(C#N)cc1F ZINC000512280228 340355308 /nfs/dbraw/zinc/35/53/08/340355308.db2.gz ODPNASGZBREJLP-GFCCVEGCSA-N 1 1 324.355 3.766 20 30 DHEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000512405352 340360710 /nfs/dbraw/zinc/36/07/10/340360710.db2.gz YTAKTVDRZOINQS-GOSISDBHSA-N 1 1 324.399 3.913 20 30 DHEDMO C=CC[N@H+](CCC(=O)c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000512403860 340360764 /nfs/dbraw/zinc/36/07/64/340360764.db2.gz OZTSZJLRFRFESM-UHFFFAOYSA-N 1 1 322.383 3.958 20 30 DHEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000512445116 340362077 /nfs/dbraw/zinc/36/20/77/340362077.db2.gz WNIKFESLLZTAGO-SUMWQHHRSA-N 1 1 306.837 3.727 20 30 DHEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000512448968 340362302 /nfs/dbraw/zinc/36/23/02/340362302.db2.gz AECLCULMHLARBN-CYBMUJFWSA-N 1 1 316.351 3.908 20 30 DHEDMO C[C@H](NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(C#N)cc1F ZINC000512655378 340371220 /nfs/dbraw/zinc/37/12/20/340371220.db2.gz UBDJNWQLEAQKLX-IFXJQAMLSA-N 1 1 311.404 3.651 20 30 DHEDMO C[C@@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1ccc(C#N)cc1F ZINC000512667508 340372057 /nfs/dbraw/zinc/37/20/57/340372057.db2.gz PXHQOKPDHJVVEN-KUHUBIRLSA-N 1 1 317.452 3.858 20 30 DHEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000512710699 340373835 /nfs/dbraw/zinc/37/38/35/340373835.db2.gz XZSNCGSAOCEPNC-LJQANCHMSA-N 1 1 306.409 3.774 20 30 DHEDMO CO[C@H](C)C[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000513255990 340399634 /nfs/dbraw/zinc/39/96/34/340399634.db2.gz JVQJVYPAEOGOPH-GOSISDBHSA-N 1 1 322.452 3.853 20 30 DHEDMO CCC(C#N)(CC)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000528800251 340734803 /nfs/dbraw/zinc/73/48/03/340734803.db2.gz OFFBRWVUUJCDSO-AWEZNQCLSA-N 1 1 324.428 3.688 20 30 DHEDMO CN(c1ccccc1)C1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000065956620 340838936 /nfs/dbraw/zinc/83/89/36/340838936.db2.gz RFJSLRSKYKFIJO-UHFFFAOYSA-N 1 1 323.415 3.798 20 30 DHEDMO COc1cc(Br)ccc1C[NH+]1CCC(CC#N)CC1 ZINC000540994853 340955048 /nfs/dbraw/zinc/95/50/48/340955048.db2.gz CHUZCDZYGJATNY-UHFFFAOYSA-N 1 1 323.234 3.583 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C)[C@@H]2CCSC2)ccc1OC ZINC000130639096 341035690 /nfs/dbraw/zinc/03/56/90/341035690.db2.gz XGFAPVGMRCKFAN-OAHLLOKOSA-N 1 1 307.459 3.587 20 30 DHEDMO CCC[N@H+](CC(=O)OC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000543576718 341049479 /nfs/dbraw/zinc/04/94/79/341049479.db2.gz JUENNNXGCCBPMC-CQSZACIVSA-N 1 1 302.418 3.673 20 30 DHEDMO CCC[N@@H+](CC(=O)OC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000543576718 341049480 /nfs/dbraw/zinc/04/94/80/341049480.db2.gz JUENNNXGCCBPMC-CQSZACIVSA-N 1 1 302.418 3.673 20 30 DHEDMO COc1cc2c(c(C[N@H+](C)Cc3ccc(C#N)cc3)c1)O[C@H](C)C2 ZINC000131158226 341063229 /nfs/dbraw/zinc/06/32/29/341063229.db2.gz FTCDWZBLUREQJG-CQSZACIVSA-N 1 1 322.408 3.522 20 30 DHEDMO COc1cc2c(c(C[N@@H+](C)Cc3ccc(C#N)cc3)c1)O[C@H](C)C2 ZINC000131158226 341063230 /nfs/dbraw/zinc/06/32/30/341063230.db2.gz FTCDWZBLUREQJG-CQSZACIVSA-N 1 1 322.408 3.522 20 30 DHEDMO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000544142669 341072014 /nfs/dbraw/zinc/07/20/14/341072014.db2.gz CBPPUFOADNYOPZ-NRFANRHFSA-N 1 1 322.452 3.772 20 30 DHEDMO C=C(C)C[NH+]1CCC(NC/C=C\c2ccc(F)cc2F)CC1 ZINC000544611045 341088935 /nfs/dbraw/zinc/08/89/35/341088935.db2.gz GGNUADNNFNREQY-ARJAWSKDSA-N 1 1 306.400 3.608 20 30 DHEDMO CCC[N@@H+](CCCSCC#N)[C@H]1CCc2ccccc2C1 ZINC000074989089 341158948 /nfs/dbraw/zinc/15/89/48/341158948.db2.gz NKUYIBQCZDOEIL-SFHVURJKSA-N 1 1 302.487 3.903 20 30 DHEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000135326316 341236747 /nfs/dbraw/zinc/23/67/47/341236747.db2.gz CUNOAABWVRDXAZ-YJBOKZPZSA-N 1 1 313.445 3.787 20 30 DHEDMO C=C(C)CN1CCC([NH2+]Cc2cnc(C3CCCC3)s2)CC1 ZINC000136078535 341252360 /nfs/dbraw/zinc/25/23/60/341252360.db2.gz NXPYNHGBGLXGQX-UHFFFAOYSA-N 1 1 319.518 3.931 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000079502351 341260250 /nfs/dbraw/zinc/26/02/50/341260250.db2.gz ADMLYZQUQRUIAX-NRFANRHFSA-N 1 1 320.436 3.782 20 30 DHEDMO C=CCC[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000548631335 341267944 /nfs/dbraw/zinc/26/79/44/341267944.db2.gz CVAXAROQRPMPPR-HKUYNNGSSA-N 1 1 314.473 3.583 20 30 DHEDMO C[C@H](C1CCCCC1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000548930367 341281357 /nfs/dbraw/zinc/28/13/57/341281357.db2.gz KRPAJCGUZRLPQX-OAHLLOKOSA-N 1 1 313.445 3.787 20 30 DHEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000245398975 341291165 /nfs/dbraw/zinc/29/11/65/341291165.db2.gz VDVKLTVBVCTKNW-SCLBCKFNSA-N 1 1 314.816 3.938 20 30 DHEDMO C[C@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]1C ZINC000245409576 341291696 /nfs/dbraw/zinc/29/16/96/341291696.db2.gz MYULOBDBHJSQHD-HOTGVXAUSA-N 1 1 323.440 3.858 20 30 DHEDMO C=CCOCC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000549507498 341295881 /nfs/dbraw/zinc/29/58/81/341295881.db2.gz GMLZSAWOHNDJML-AWEZNQCLSA-N 1 1 302.443 3.678 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)C1 ZINC000549532268 341296565 /nfs/dbraw/zinc/29/65/65/341296565.db2.gz NNXMRPQDUHJLRI-RBSFLKMASA-N 1 1 304.821 3.875 20 30 DHEDMO CCc1ccc([C@@H]2CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000564381053 341348091 /nfs/dbraw/zinc/34/80/91/341348091.db2.gz QCZZJLMKOIHFCT-LJQANCHMSA-N 1 1 307.441 3.839 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000249272283 341395681 /nfs/dbraw/zinc/39/56/81/341395681.db2.gz KUVIIMAXIKHODZ-UZLBHIALSA-N 1 1 306.409 3.563 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000249272283 341395682 /nfs/dbraw/zinc/39/56/82/341395682.db2.gz KUVIIMAXIKHODZ-UZLBHIALSA-N 1 1 306.409 3.563 20 30 DHEDMO C=CCC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000249564868 341399351 /nfs/dbraw/zinc/39/93/51/341399351.db2.gz MTUANDPTYIIQNI-IEBWSBKVSA-N 1 1 314.473 3.537 20 30 DHEDMO COC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(Cl)c1 ZINC000576736720 341860786 /nfs/dbraw/zinc/86/07/86/341860786.db2.gz FFLLMBAMNNSGBN-QGZVFWFLSA-N 1 1 318.779 3.828 20 30 DHEDMO CCc1nnc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000577327762 341904499 /nfs/dbraw/zinc/90/44/99/341904499.db2.gz GHIRFZUOVUUEIR-OAHLLOKOSA-N 1 1 312.442 3.529 20 30 DHEDMO CC(C)(C)n1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000180031147 519154326 /nfs/dbraw/zinc/15/43/26/519154326.db2.gz YBODBNLJSFSDFC-UHFFFAOYSA-N 1 1 308.429 3.674 20 30 DHEDMO CC(C)(C)n1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000180031147 519154331 /nfs/dbraw/zinc/15/43/31/519154331.db2.gz YBODBNLJSFSDFC-UHFFFAOYSA-N 1 1 308.429 3.674 20 30 DHEDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2ccccc2C#N)CC1 ZINC000338365694 520549108 /nfs/dbraw/zinc/54/91/08/520549108.db2.gz GXJZNECFEKWFTN-UHFFFAOYSA-N 1 1 314.429 3.502 20 30 DHEDMO CC1CCC([N@@H+](CC(=O)Nc2cccc(C#N)c2)C2CC2)CC1 ZINC000339214978 520937394 /nfs/dbraw/zinc/93/73/94/520937394.db2.gz IHMRNEPWYBRSHI-UHFFFAOYSA-N 1 1 311.429 3.540 20 30 DHEDMO CCCn1ccnc1CCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000191506399 521663126 /nfs/dbraw/zinc/66/31/26/521663126.db2.gz UFWOBOREXDVZGF-MRXNPFEDSA-N 1 1 310.445 3.790 20 30 DHEDMO CN(C)C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000338475805 521857928 /nfs/dbraw/zinc/85/79/28/521857928.db2.gz XTTKQTGBPWEYQN-INIZCTEOSA-N 1 1 319.861 3.666 20 30 DHEDMO Cn1cc(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)cc1C#N ZINC000191260260 523169635 /nfs/dbraw/zinc/16/96/35/523169635.db2.gz LZVHQTQVWQJOKS-UHFFFAOYSA-N 1 1 307.319 3.548 20 30 DHEDMO C[C@@H]1CCC[N@H+]1C1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000154897266 524258062 /nfs/dbraw/zinc/25/80/62/524258062.db2.gz KSCOGJKEIFLDMX-CYBMUJFWSA-N 1 1 303.837 3.665 20 30 DHEDMO C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)c1cccc(C#N)c1 ZINC000337204636 525542747 /nfs/dbraw/zinc/54/27/47/525542747.db2.gz IBPMIQFJDUDDRC-ZBEGNZNMSA-N 1 1 318.779 3.735 20 30 DHEDMO N#Cc1ccc(-c2cnc(C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)o2)cc1 ZINC000364227895 526582475 /nfs/dbraw/zinc/58/24/75/526582475.db2.gz BROAEOHIQIUNDO-CALCHBBNSA-N 1 1 307.397 3.835 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000267440506 526735212 /nfs/dbraw/zinc/73/52/12/526735212.db2.gz HYAHMKLCTWYYTA-DLBZAZTESA-N 1 1 312.438 3.708 20 30 DHEDMO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C(C)(C)C ZINC000518180033 1013151504 /nfs/dbraw/zinc/15/15/04/1013151504.db2.gz PMCNFXMITSJZDR-ZDUSSCGKSA-N 1 1 319.474 3.607 20 30 DHEDMO C=CCCCCC[N@H+](C)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001209432960 1013275224 /nfs/dbraw/zinc/27/52/24/1013275224.db2.gz OLSZFZFLIYAQEP-FQEVSTJZSA-N 1 1 316.489 3.566 20 30 DHEDMO C=CCCCCCC[N@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001209436131 1013280095 /nfs/dbraw/zinc/28/00/95/1013280095.db2.gz NWRIUAQDQIKKII-MOPGFXCFSA-N 1 1 307.478 3.783 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc(Cl)cc1 ZINC000894793001 1013492491 /nfs/dbraw/zinc/49/24/91/1013492491.db2.gz BQPOSRUBTDMXAK-LJQANCHMSA-N 1 1 311.812 3.877 20 30 DHEDMO C=CCCCC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000366759262 1013522462 /nfs/dbraw/zinc/52/24/62/1013522462.db2.gz RWGSMRNENMOAMT-IBGZPJMESA-N 1 1 314.473 3.856 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1nnc(-c2ccco2)o1 ZINC000062364227 1013542015 /nfs/dbraw/zinc/54/20/15/1013542015.db2.gz MQMMYXHMCILQMF-UHFFFAOYSA-N 1 1 309.369 3.560 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nnc(-c2ccco2)o1 ZINC000062364227 1013542021 /nfs/dbraw/zinc/54/20/21/1013542021.db2.gz MQMMYXHMCILQMF-UHFFFAOYSA-N 1 1 309.369 3.560 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)nc1 ZINC000519769123 1013600748 /nfs/dbraw/zinc/60/07/48/1013600748.db2.gz YPZLEBDJWJOPPF-NRFANRHFSA-N 1 1 317.436 3.823 20 30 DHEDMO N#Cc1ccc(OCCC[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000729481086 1013615036 /nfs/dbraw/zinc/61/50/36/1013615036.db2.gz DVJNFNJPUKYBIN-SFHVURJKSA-N 1 1 324.399 3.956 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000441009210 1013651719 /nfs/dbraw/zinc/65/17/19/1013651719.db2.gz CZHDMPOZANMEPN-FQEVSTJZSA-N 1 1 308.400 3.754 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](CC)Cc1ccc(Cl)cc1 ZINC000520174102 1013667591 /nfs/dbraw/zinc/66/75/91/1013667591.db2.gz TZDKOTNGTNAQPE-UHFFFAOYSA-N 1 1 308.853 3.587 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC)Cc1ccc(Cl)cc1 ZINC000520174102 1013667598 /nfs/dbraw/zinc/66/75/98/1013667598.db2.gz TZDKOTNGTNAQPE-UHFFFAOYSA-N 1 1 308.853 3.587 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1CC#N ZINC000520251581 1013690022 /nfs/dbraw/zinc/69/00/22/1013690022.db2.gz GTQHQYSZEWHDRC-CYBMUJFWSA-N 1 1 319.836 3.609 20 30 DHEDMO Clc1ccccc1C#CC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000441266418 1013702130 /nfs/dbraw/zinc/70/21/30/1013702130.db2.gz IBAQRCFNOWLWOC-GOSISDBHSA-N 1 1 310.828 3.878 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000441266418 1013702134 /nfs/dbraw/zinc/70/21/34/1013702134.db2.gz IBAQRCFNOWLWOC-GOSISDBHSA-N 1 1 310.828 3.878 20 30 DHEDMO Clc1ccccc1C#CC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000441266419 1013703444 /nfs/dbraw/zinc/70/34/44/1013703444.db2.gz IBAQRCFNOWLWOC-SFHVURJKSA-N 1 1 310.828 3.878 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000441266419 1013703453 /nfs/dbraw/zinc/70/34/53/1013703453.db2.gz IBAQRCFNOWLWOC-SFHVURJKSA-N 1 1 310.828 3.878 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000520413075 1013733854 /nfs/dbraw/zinc/73/38/54/1013733854.db2.gz MAKVGPQNBVRWEU-KRWDZBQOSA-N 1 1 307.353 3.804 20 30 DHEDMO C[C@@H]1C[C@H](NC(=O)c2coc(C3CCCCC3)n2)CC[N@H+]1C ZINC000328700768 1013792648 /nfs/dbraw/zinc/79/26/48/1013792648.db2.gz WHRJXUOYOWGPQG-TZMCWYRMSA-N 1 1 305.422 3.510 20 30 DHEDMO C=C(Cl)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000298534280 1013822922 /nfs/dbraw/zinc/82/29/22/1013822922.db2.gz MKTRDEKHXDEYRH-GFCCVEGCSA-N 1 1 301.615 3.637 20 30 DHEDMO N#Cc1ccccc1N1CCC[N@@H+](CC23CCC(CC2)C3)CC1 ZINC001167318843 1013835822 /nfs/dbraw/zinc/83/58/22/1013835822.db2.gz VSXPVTYGVDHUSO-UHFFFAOYSA-N 1 1 309.457 3.651 20 30 DHEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(C(C)(C)C)on1 ZINC000330881374 1013843020 /nfs/dbraw/zinc/84/30/20/1013843020.db2.gz AADBXODXMOGUSB-ZDUSSCGKSA-N 1 1 307.438 3.541 20 30 DHEDMO Cc1nc(C)c(NC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)s1 ZINC000331284240 1013867036 /nfs/dbraw/zinc/86/70/36/1013867036.db2.gz KRUDESLZASAXIY-AWEZNQCLSA-N 1 1 324.494 3.596 20 30 DHEDMO C=CCCO[C@H](C)c1nc(CCCCn2c[nH+]c(C)c2C)no1 ZINC000656036966 1013940933 /nfs/dbraw/zinc/94/09/33/1013940933.db2.gz PIANXLPBEDSTML-OAHLLOKOSA-N 1 1 318.421 3.560 20 30 DHEDMO CC[NH+](CC)[C@H](CNCc1cc(C#N)cs1)c1ccccc1 ZINC000177680191 1013962251 /nfs/dbraw/zinc/96/22/51/1013962251.db2.gz WMQKKIISANFNRW-GOSISDBHSA-N 1 1 313.470 3.792 20 30 DHEDMO N#Cc1csc(C[NH2+][C@@H](c2ccccc2)c2cccnc2)c1 ZINC000177695926 1013996200 /nfs/dbraw/zinc/99/62/00/1013996200.db2.gz CASIAKWCUZUPSQ-SFHVURJKSA-N 1 1 305.406 3.894 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000683793245 1014012753 /nfs/dbraw/zinc/01/27/53/1014012753.db2.gz WAHAQKLAEJFEFL-AWEZNQCLSA-N 1 1 320.234 3.637 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000683793245 1014012757 /nfs/dbraw/zinc/01/27/57/1014012757.db2.gz WAHAQKLAEJFEFL-AWEZNQCLSA-N 1 1 320.234 3.637 20 30 DHEDMO C=CC[N@H+](CCCNC(=O)OC(C)(C)C)CC1CCCCC1 ZINC001167391841 1014112473 /nfs/dbraw/zinc/11/24/73/1014112473.db2.gz MRCGWCCJDVTOKS-UHFFFAOYSA-N 1 1 310.482 3.970 20 30 DHEDMO CC(C)[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000311223376 1014211120 /nfs/dbraw/zinc/21/11/20/1014211120.db2.gz VYMNKAWTZHOKKM-LBPRGKRZSA-N 1 1 307.235 3.799 20 30 DHEDMO CC(C)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000311223376 1014211129 /nfs/dbraw/zinc/21/11/29/1014211129.db2.gz VYMNKAWTZHOKKM-LBPRGKRZSA-N 1 1 307.235 3.799 20 30 DHEDMO C=C(C)C[N@@H+](CC)CCCC(=O)Nc1ccccc1C(C)=O ZINC000580567194 1014226774 /nfs/dbraw/zinc/22/67/74/1014226774.db2.gz RKZGCPHMWLOXPD-UHFFFAOYSA-N 1 1 302.418 3.506 20 30 DHEDMO CCC[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccc(C#N)cc1 ZINC000119278559 1014291816 /nfs/dbraw/zinc/29/18/16/1014291816.db2.gz JDNJFESFPFZWTK-UHFFFAOYSA-N 1 1 310.445 3.922 20 30 DHEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000520525484 1014324695 /nfs/dbraw/zinc/32/46/95/1014324695.db2.gz IRSOCUYRYZKEER-LADRWXRNSA-N 1 1 321.509 3.578 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000255955448 1014526687 /nfs/dbraw/zinc/52/66/87/1014526687.db2.gz HTVCGXSEYKZNAJ-HUUCEWRRSA-N 1 1 314.429 3.897 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(C#N)o2)cc1 ZINC000428191338 1014587560 /nfs/dbraw/zinc/58/75/60/1014587560.db2.gz JWMRMGYDAKVPTL-AWEZNQCLSA-N 1 1 323.396 3.778 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](CC3CCC(C#N)CC3)C2)cc1F ZINC000931335340 1032100914 /nfs/dbraw/zinc/10/09/14/1032100914.db2.gz VRCVHPOKSNXJHL-DQPZFDDXSA-N 1 1 316.420 3.954 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)c(OC)c1 ZINC000442805287 1014733177 /nfs/dbraw/zinc/73/31/77/1014733177.db2.gz YCPCPRCHOKSAKS-UHFFFAOYSA-N 1 1 322.408 3.764 20 30 DHEDMO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000581356198 1014735345 /nfs/dbraw/zinc/73/53/45/1014735345.db2.gz ANPGSTONEHEXFK-OXJNMPFZSA-N 1 1 320.436 3.818 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)c(OC)c2)C2CC2)cc1 ZINC000442813957 1014741528 /nfs/dbraw/zinc/74/15/28/1014741528.db2.gz SOSLGBWZZKTUKL-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO COc1cc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)ccc1C#N ZINC000442813174 1014742234 /nfs/dbraw/zinc/74/22/34/1014742234.db2.gz GCVLOEJTKWDCTB-UHFFFAOYSA-N 1 1 320.314 3.616 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)ccc1C#N ZINC000442813174 1014742239 /nfs/dbraw/zinc/74/22/39/1014742239.db2.gz GCVLOEJTKWDCTB-UHFFFAOYSA-N 1 1 320.314 3.616 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000442878618 1014758986 /nfs/dbraw/zinc/75/89/86/1014758986.db2.gz GWIMULHWDDLOGN-QGZVFWFLSA-N 1 1 310.372 3.695 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cn2cc(C)ccc2n1 ZINC000521685785 1014773320 /nfs/dbraw/zinc/77/33/20/1014773320.db2.gz AZRIUOMTECTVTL-UHFFFAOYSA-N 1 1 305.425 3.873 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)ccc1OC ZINC000443071427 1014800715 /nfs/dbraw/zinc/80/07/15/1014800715.db2.gz SMJJCUYQYFIIPI-NVXWUHKLSA-N 1 1 319.445 3.649 20 30 DHEDMO C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]2CCCC[C@@H]12 ZINC000521816916 1014808970 /nfs/dbraw/zinc/80/89/70/1014808970.db2.gz LBSQQBPSUHYRNQ-FGTMMUONSA-N 1 1 304.478 3.988 20 30 DHEDMO C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]2CCCC[C@H]12 ZINC000521816918 1014809735 /nfs/dbraw/zinc/80/97/35/1014809735.db2.gz LBSQQBPSUHYRNQ-KZNAEPCWSA-N 1 1 304.478 3.988 20 30 DHEDMO C=CCCCCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000474099054 1015009800 /nfs/dbraw/zinc/00/98/00/1015009800.db2.gz UHDFDTKVHAJWFF-QZTJIDSGSA-N 1 1 321.509 3.639 20 30 DHEDMO C=C(Br)C[N@@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931370131 1032109970 /nfs/dbraw/zinc/10/99/70/1032109970.db2.gz WEYFQRCRTAJZJD-LBPRGKRZSA-N 1 1 320.234 3.651 20 30 DHEDMO C=C(Br)C[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931370131 1032109975 /nfs/dbraw/zinc/10/99/75/1032109975.db2.gz WEYFQRCRTAJZJD-LBPRGKRZSA-N 1 1 320.234 3.651 20 30 DHEDMO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccc(F)cc1F ZINC000477152409 1015095226 /nfs/dbraw/zinc/09/52/26/1015095226.db2.gz QXPYGWUHTHUKEK-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO C[C@H]1CN(Cc2ccccc2)CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000324018811 1015112314 /nfs/dbraw/zinc/11/23/14/1015112314.db2.gz MXPKVIOATBDUNH-GOSISDBHSA-N 1 1 313.489 3.770 20 30 DHEDMO C[C@@H]1CN(CCCC(C)(C)C#N)CC[N@H+](Cc2ccccc2)C1 ZINC000324018811 1015112320 /nfs/dbraw/zinc/11/23/20/1015112320.db2.gz MXPKVIOATBDUNH-GOSISDBHSA-N 1 1 313.489 3.770 20 30 DHEDMO C[C@@H]1CN(CCCC(C)(C)C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000324018811 1015112325 /nfs/dbraw/zinc/11/23/25/1015112325.db2.gz MXPKVIOATBDUNH-GOSISDBHSA-N 1 1 313.489 3.770 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC)[C@@H](C)c1cccc(O)c1 ZINC000121148134 1015191633 /nfs/dbraw/zinc/19/16/33/1015191633.db2.gz NTJZGGUAPPNWHT-AWEZNQCLSA-N 1 1 310.397 3.856 20 30 DHEDMO C=CCC[N@@H+](C)[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000276484658 1015207865 /nfs/dbraw/zinc/20/78/65/1015207865.db2.gz TYFJAVZIWLUSPH-GFCCVEGCSA-N 1 1 305.809 3.883 20 30 DHEDMO C=CCC[N@H+](C)[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000276484658 1015207871 /nfs/dbraw/zinc/20/78/71/1015207871.db2.gz TYFJAVZIWLUSPH-GFCCVEGCSA-N 1 1 305.809 3.883 20 30 DHEDMO C=CCC[N@@H+](C)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000276484660 1015208029 /nfs/dbraw/zinc/20/80/29/1015208029.db2.gz TYFJAVZIWLUSPH-LBPRGKRZSA-N 1 1 305.809 3.883 20 30 DHEDMO C=CCC[N@H+](C)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000276484660 1015208039 /nfs/dbraw/zinc/20/80/39/1015208039.db2.gz TYFJAVZIWLUSPH-LBPRGKRZSA-N 1 1 305.809 3.883 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000895581429 1015218190 /nfs/dbraw/zinc/21/81/90/1015218190.db2.gz AHJTYHAQZMWZMF-OAHLLOKOSA-N 1 1 300.427 3.697 20 30 DHEDMO CC(C)(C/N=C/c1ccccc1O)[N@H+]1CCc2ccccc2C1 ZINC000078329103 1015237826 /nfs/dbraw/zinc/23/78/26/1015237826.db2.gz DRGFWQPMOCECAT-FYJGNVAPSA-N 1 1 308.425 3.648 20 30 DHEDMO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1cccc(O)c1 ZINC000581762376 1015309227 /nfs/dbraw/zinc/30/92/27/1015309227.db2.gz WGBCNAADUNQBQH-UHFFFAOYSA-N 1 1 319.326 3.895 20 30 DHEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1cccc(O)c1 ZINC000581762376 1015309239 /nfs/dbraw/zinc/30/92/39/1015309239.db2.gz WGBCNAADUNQBQH-UHFFFAOYSA-N 1 1 319.326 3.895 20 30 DHEDMO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3csc(C#N)c3)C2)n[nH]1 ZINC000895927477 1015365415 /nfs/dbraw/zinc/36/54/15/1015365415.db2.gz LBXJRVJAVBYOAI-CQSZACIVSA-N 1 1 314.458 3.846 20 30 DHEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3csc(C#N)c3)C2)n[nH]1 ZINC000895927477 1015365418 /nfs/dbraw/zinc/36/54/18/1015365418.db2.gz LBXJRVJAVBYOAI-CQSZACIVSA-N 1 1 314.458 3.846 20 30 DHEDMO C#CCCCCCC[N@@H+]1CC2(CC(OC)(OC)C2)[C@@H]1C(C)C ZINC000895989405 1015397681 /nfs/dbraw/zinc/39/76/81/1015397681.db2.gz ZWWLZHYHPSPWPJ-KRWDZBQOSA-N 1 1 307.478 3.680 20 30 DHEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000135327862 1015478900 /nfs/dbraw/zinc/47/89/00/1015478900.db2.gz XBJVELWGYOHUDL-UKRRQHHQSA-N 1 1 319.474 3.849 20 30 DHEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000054424248 1015494173 /nfs/dbraw/zinc/49/41/73/1015494173.db2.gz CTDSSSOKGXQRMT-UHFFFAOYSA-N 1 1 310.825 3.575 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)cs1 ZINC000896528536 1015613156 /nfs/dbraw/zinc/61/31/56/1015613156.db2.gz ZMBPXPNWYHJMAY-GFCCVEGCSA-N 1 1 303.456 3.531 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000896519064 1015616617 /nfs/dbraw/zinc/61/66/17/1015616617.db2.gz XABSAUSJVLGRCQ-KBPBESRZSA-N 1 1 303.475 3.751 20 30 DHEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H](O)c1ccc(F)cc1Cl ZINC000933774025 1015662865 /nfs/dbraw/zinc/66/28/65/1015662865.db2.gz VCJXPSXELDYQTQ-OAHLLOKOSA-N 1 1 324.808 3.578 20 30 DHEDMO C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2C#N)[C@H](C)C1 ZINC001141903114 1015669186 /nfs/dbraw/zinc/66/91/86/1015669186.db2.gz QSBNJNVIJWXJTM-VXGBXAGGSA-N 1 1 307.235 3.941 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2C#N)[C@H](C)C1 ZINC001141903114 1015669195 /nfs/dbraw/zinc/66/91/95/1015669195.db2.gz QSBNJNVIJWXJTM-VXGBXAGGSA-N 1 1 307.235 3.941 20 30 DHEDMO Cc1[nH]nc(C(F)F)c1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000329385155 1015695110 /nfs/dbraw/zinc/69/51/10/1015695110.db2.gz PVWYKSJQLQQBMW-JTQLQIEISA-N 1 1 300.353 3.508 20 30 DHEDMO C[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1cccc(C#N)c1 ZINC000341773472 1015728367 /nfs/dbraw/zinc/72/83/67/1015728367.db2.gz DHQNHRNRKYVLPV-GFCCVEGCSA-N 1 1 310.788 3.710 20 30 DHEDMO Cc1cc(C#N)cc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000341824061 1015757270 /nfs/dbraw/zinc/75/72/70/1015757270.db2.gz NUUOMVMCURGTOV-QAPCUYQASA-N 1 1 306.413 3.509 20 30 DHEDMO CC(C)(C)[NH+]1CCC(N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000341826225 1015756636 /nfs/dbraw/zinc/75/66/36/1015756636.db2.gz QJUFHRRTCQVZBR-LJQANCHMSA-N 1 1 311.473 3.788 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(OC)c(OC)c1O ZINC000891937476 1015769672 /nfs/dbraw/zinc/76/96/72/1015769672.db2.gz JSOIGUZBORKCHS-UHFFFAOYSA-N 1 1 320.433 3.561 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CC1CCCC1 ZINC000475048183 1015802791 /nfs/dbraw/zinc/80/27/91/1015802791.db2.gz NRUNCQFLZXPHPX-SFHVURJKSA-N 1 1 318.417 3.524 20 30 DHEDMO Cc1ccccc1C[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000535782702 1015821341 /nfs/dbraw/zinc/82/13/41/1015821341.db2.gz NJJBGRVKAGRDKJ-UHFFFAOYSA-N 1 1 316.408 3.679 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(C(F)(F)F)cn1 ZINC000341908166 1015843127 /nfs/dbraw/zinc/84/31/27/1015843127.db2.gz DBYGAYRWGKJGJJ-UHFFFAOYSA-N 1 1 310.319 3.924 20 30 DHEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000091080902 1015912929 /nfs/dbraw/zinc/91/29/29/1015912929.db2.gz NFTXTMALOKFMPR-KRWDZBQOSA-N 1 1 313.832 3.869 20 30 DHEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC000091080902 1015912938 /nfs/dbraw/zinc/91/29/38/1015912938.db2.gz NFTXTMALOKFMPR-KRWDZBQOSA-N 1 1 313.832 3.869 20 30 DHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H]1CC[C@@H](CC)C1)CCO2 ZINC001173282439 1033675186 /nfs/dbraw/zinc/67/51/86/1033675186.db2.gz YNHVENMXTQUTLK-NCXUSEDFSA-N 1 1 307.478 3.639 20 30 DHEDMO N#Cc1cc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)ccn1 ZINC000610956299 1015965014 /nfs/dbraw/zinc/96/50/14/1015965014.db2.gz XZENAAXWRBBEPR-FQEVSTJZSA-N 1 1 317.367 3.972 20 30 DHEDMO Cn1nc(C[NH2+][C@@H](CCC#N)c2ccccc2)c2ccccc21 ZINC000610972162 1015971207 /nfs/dbraw/zinc/97/12/07/1015971207.db2.gz FYPBEDRDZWXGEM-KRWDZBQOSA-N 1 1 304.397 3.708 20 30 DHEDMO C[C@@H]1COCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000610991084 1015992747 /nfs/dbraw/zinc/99/27/47/1015992747.db2.gz ZZKCFFRIQPUOBG-MRXNPFEDSA-N 1 1 306.409 3.836 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](c3ccccc3C)C2)cc1C#N ZINC000610992346 1016000744 /nfs/dbraw/zinc/00/07/44/1016000744.db2.gz WLXDFOCPYKFEAC-QGZVFWFLSA-N 1 1 306.409 3.865 20 30 DHEDMO N#Cc1cc(C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)ccn1 ZINC000610993114 1016004743 /nfs/dbraw/zinc/00/47/43/1016004743.db2.gz DBAUPPNSMAPARN-FQEVSTJZSA-N 1 1 303.409 3.995 20 30 DHEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccnc(C#N)c2)C12CCCCC2 ZINC000610994032 1016005375 /nfs/dbraw/zinc/00/53/75/1016005375.db2.gz RPADLBKOBASKLH-ROUUACIJSA-N 1 1 313.445 3.513 20 30 DHEDMO C[C@@H]1SCC[N@H+](Cc2ccnc(C#N)c2)[C@@H]1c1ccccc1 ZINC000610993086 1016005925 /nfs/dbraw/zinc/00/59/25/1016005925.db2.gz CDMVUQMSIOBGSV-KSSFIOAISA-N 1 1 309.438 3.632 20 30 DHEDMO C[C@@H]1SCC[N@@H+](Cc2ccnc(C#N)c2)[C@@H]1c1ccccc1 ZINC000610993086 1016005933 /nfs/dbraw/zinc/00/59/33/1016005933.db2.gz CDMVUQMSIOBGSV-KSSFIOAISA-N 1 1 309.438 3.632 20 30 DHEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccnc(C#N)c2)C2CC2)o1 ZINC000610995303 1016007108 /nfs/dbraw/zinc/00/71/08/1016007108.db2.gz JRQNZANHHAFISW-ACJLOTCBSA-N 1 1 307.397 3.834 20 30 DHEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccnc(C#N)c2)C2CC2)o1 ZINC000610995303 1016007119 /nfs/dbraw/zinc/00/71/19/1016007119.db2.gz JRQNZANHHAFISW-ACJLOTCBSA-N 1 1 307.397 3.834 20 30 DHEDMO C=CCOC1CCC([N@@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)CC1 ZINC001173322260 1033685088 /nfs/dbraw/zinc/68/50/88/1033685088.db2.gz AGZBOIGLPXSABV-AQFXKWCLSA-N 1 1 323.477 3.696 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)cs1 ZINC000892118312 1016257798 /nfs/dbraw/zinc/25/77/98/1016257798.db2.gz VPXJPFWCTWIWSZ-MRXNPFEDSA-N 1 1 310.422 3.857 20 30 DHEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCc1nccs1 ZINC000157874362 1016339916 /nfs/dbraw/zinc/33/99/16/1016339916.db2.gz ZSTOINDRKPDKDC-UHFFFAOYSA-N 1 1 324.371 3.688 20 30 DHEDMO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCc1nccs1 ZINC000157874362 1016339923 /nfs/dbraw/zinc/33/99/23/1016339923.db2.gz ZSTOINDRKPDKDC-UHFFFAOYSA-N 1 1 324.371 3.688 20 30 DHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@H]1CC(C)C ZINC000131107209 1016404544 /nfs/dbraw/zinc/40/45/44/1016404544.db2.gz AFOZBYMCVIEVSA-SFHVURJKSA-N 1 1 323.444 3.593 20 30 DHEDMO C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCCC)cc2C)CC1 ZINC000657353577 1016422697 /nfs/dbraw/zinc/42/26/97/1016422697.db2.gz RZKSMSHEAIFFDJ-UHFFFAOYSA-N 1 1 316.489 3.914 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075597581 1016488777 /nfs/dbraw/zinc/48/87/77/1016488777.db2.gz VJKYKQKBSQNUJP-AWEZNQCLSA-N 1 1 318.380 3.801 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075597581 1016488817 /nfs/dbraw/zinc/48/88/17/1016488817.db2.gz VJKYKQKBSQNUJP-AWEZNQCLSA-N 1 1 318.380 3.801 20 30 DHEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001143444269 1016549087 /nfs/dbraw/zinc/54/90/87/1016549087.db2.gz ZOFJUATZGJUDMI-NSHDSACASA-N 1 1 316.298 3.850 20 30 DHEDMO Cc1cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cnc1F ZINC000892245588 1016572271 /nfs/dbraw/zinc/57/22/71/1016572271.db2.gz DAJYENJYLYWAOD-UHFFFAOYSA-N 1 1 307.372 3.690 20 30 DHEDMO Cc1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cnc1F ZINC000892245588 1016572284 /nfs/dbraw/zinc/57/22/84/1016572284.db2.gz DAJYENJYLYWAOD-UHFFFAOYSA-N 1 1 307.372 3.690 20 30 DHEDMO CC(C)[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCC1 ZINC000072600888 1016670121 /nfs/dbraw/zinc/67/01/21/1016670121.db2.gz NKVRBMHRGODTKK-UHFFFAOYSA-N 1 1 310.401 3.761 20 30 DHEDMO C=CCC[N@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000172619094 1016695555 /nfs/dbraw/zinc/69/55/55/1016695555.db2.gz YRIGCYYDXSNYEA-UHFFFAOYSA-N 1 1 300.324 3.542 20 30 DHEDMO CO[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000281754768 1016704677 /nfs/dbraw/zinc/70/46/77/1016704677.db2.gz REULZVDBGDULMK-CZUORRHYSA-N 1 1 311.347 3.556 20 30 DHEDMO C=CC[C@@H]1CCN1c1cc(C)nc([C@@H](C)[N@@H+]2CC[C@H]2CC=C)n1 ZINC000934462539 1016737868 /nfs/dbraw/zinc/73/78/68/1016737868.db2.gz XKDDOKOGYSZLTP-BRWVUGGUSA-N 1 1 312.461 3.651 20 30 DHEDMO C=CC[C@@H]1CCN1c1cc(C)nc([C@@H](C)[N@H+]2CC[C@H]2CC=C)n1 ZINC000934462539 1016737878 /nfs/dbraw/zinc/73/78/78/1016737878.db2.gz XKDDOKOGYSZLTP-BRWVUGGUSA-N 1 1 312.461 3.651 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2F)o1 ZINC000342590176 1016816357 /nfs/dbraw/zinc/81/63/57/1016816357.db2.gz SHEUNFWOEBQVOQ-INIZCTEOSA-N 1 1 314.360 3.774 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2F)o1 ZINC000342590176 1016816370 /nfs/dbraw/zinc/81/63/70/1016816370.db2.gz SHEUNFWOEBQVOQ-INIZCTEOSA-N 1 1 314.360 3.774 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000347250693 1016819072 /nfs/dbraw/zinc/81/90/72/1016819072.db2.gz GXTQQXVFWLYILB-GOSISDBHSA-N 1 1 324.449 3.857 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000347250693 1016819081 /nfs/dbraw/zinc/81/90/81/1016819081.db2.gz GXTQQXVFWLYILB-GOSISDBHSA-N 1 1 324.449 3.857 20 30 DHEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cccc(C#N)n1 ZINC000346203055 1016999405 /nfs/dbraw/zinc/99/94/05/1016999405.db2.gz ZHEXPPQHXNLASW-GOSISDBHSA-N 1 1 308.429 3.522 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000186257252 1017068261 /nfs/dbraw/zinc/06/82/61/1017068261.db2.gz SJGONFUCVSMPRW-FQEVSTJZSA-N 1 1 306.409 3.614 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000847024425 1032182095 /nfs/dbraw/zinc/18/20/95/1032182095.db2.gz QSBIBRTXSLIYQK-CYBMUJFWSA-N 1 1 300.402 3.794 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC000847024425 1032182098 /nfs/dbraw/zinc/18/20/98/1032182098.db2.gz QSBIBRTXSLIYQK-CYBMUJFWSA-N 1 1 300.402 3.794 20 30 DHEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000847021834 1032182176 /nfs/dbraw/zinc/18/21/76/1032182176.db2.gz BRLVXNFUFUZADN-KGLIPLIRSA-N 1 1 313.376 3.590 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000847022155 1032181658 /nfs/dbraw/zinc/18/16/58/1032181658.db2.gz FTMIEYFUIRNCNN-CYBMUJFWSA-N 1 1 300.789 3.840 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000847022155 1032181662 /nfs/dbraw/zinc/18/16/62/1032181662.db2.gz FTMIEYFUIRNCNN-CYBMUJFWSA-N 1 1 300.789 3.840 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000847021834 1032182187 /nfs/dbraw/zinc/18/21/87/1032182187.db2.gz BRLVXNFUFUZADN-KGLIPLIRSA-N 1 1 313.376 3.590 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](CCO)C2)cc1 ZINC000609848958 1017228180 /nfs/dbraw/zinc/22/81/80/1017228180.db2.gz UTRBRIDANMSLOU-KRWDZBQOSA-N 1 1 320.436 3.820 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)C1 ZINC001168065510 1017232164 /nfs/dbraw/zinc/23/21/64/1017232164.db2.gz XBRHIXMSESPCCW-GUDVDZBRSA-N 1 1 310.485 3.773 20 30 DHEDMO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000847033673 1032184085 /nfs/dbraw/zinc/18/40/85/1032184085.db2.gz ZAXAMAWSDYZQAJ-STQMWFEESA-N 1 1 303.356 3.838 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000847033673 1032184089 /nfs/dbraw/zinc/18/40/89/1032184089.db2.gz ZAXAMAWSDYZQAJ-STQMWFEESA-N 1 1 303.356 3.838 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000847027571 1032185016 /nfs/dbraw/zinc/18/50/16/1032185016.db2.gz UTUNSDUBMSIAAI-CVEARBPZSA-N 1 1 309.413 3.760 20 30 DHEDMO C[C@@H](CCN[C@@H]1CCCc2cc(C#N)ccc21)[NH+]1CCCCC1 ZINC000612422579 1032230852 /nfs/dbraw/zinc/23/08/52/1032230852.db2.gz ANJDAHAGRYCATJ-OXJNMPFZSA-N 1 1 311.473 3.790 20 30 DHEDMO N#Cc1ccc(C2=CC[N@H+](Cc3cccc(Cl)n3)CC2)cc1 ZINC000362103650 1032233236 /nfs/dbraw/zinc/23/32/36/1032233236.db2.gz UGRRMEZTWLDDIF-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cccc(Cl)n3)CC2)cc1 ZINC000362103650 1032233242 /nfs/dbraw/zinc/23/32/42/1032233242.db2.gz UGRRMEZTWLDDIF-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)ccc1C#N ZINC000295017727 1032244782 /nfs/dbraw/zinc/24/47/82/1032244782.db2.gz MVDLOGFCGYJRKD-FZMZJTMJSA-N 1 1 312.335 3.730 20 30 DHEDMO COC(=O)N1CCC([N@@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001172738984 1033337163 /nfs/dbraw/zinc/33/71/63/1033337163.db2.gz VTPMXVDHPIYLMW-UHFFFAOYSA-N 1 1 321.465 3.546 20 30 DHEDMO CC[N@@H+](Cc1ccc(OC)c(OCC(C)C)c1)C[C@H](C)C#N ZINC000091982272 1032465683 /nfs/dbraw/zinc/46/56/83/1032465683.db2.gz CJRACTOYIWVYMD-OAHLLOKOSA-N 1 1 304.434 3.712 20 30 DHEDMO CC[N@H+](Cc1ccc(OC)c(OCC(C)C)c1)C[C@H](C)C#N ZINC000091982272 1032465689 /nfs/dbraw/zinc/46/56/89/1032465689.db2.gz CJRACTOYIWVYMD-OAHLLOKOSA-N 1 1 304.434 3.712 20 30 DHEDMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000092588089 1032504368 /nfs/dbraw/zinc/50/43/68/1032504368.db2.gz UGPZZUSUEBTOQV-QZTJIDSGSA-N 1 1 305.510 3.903 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000092588089 1032504376 /nfs/dbraw/zinc/50/43/76/1032504376.db2.gz UGPZZUSUEBTOQV-QZTJIDSGSA-N 1 1 305.510 3.903 20 30 DHEDMO C=CCOc1ccccc1[C@H](C)Nc1nc2c(ccn2C)c[nH+]1 ZINC001171368476 1032522536 /nfs/dbraw/zinc/52/25/36/1032522536.db2.gz GMZFJPBZEWBMLR-ZDUSSCGKSA-N 1 1 308.385 3.706 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C)cc1OCCCC#N ZINC000093499095 1032541402 /nfs/dbraw/zinc/54/14/02/1032541402.db2.gz YJKYGNDTTNGZAL-HZPDHXFCSA-N 1 1 316.445 3.998 20 30 DHEDMO CC(C)[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCS1 ZINC000093869172 1032562235 /nfs/dbraw/zinc/56/22/35/1032562235.db2.gz DVRQNKZUCDRBHX-GOSISDBHSA-N 1 1 318.486 3.943 20 30 DHEDMO Cc1cc(C)c(NC(=O)CCC[N@H+](C)[C@@H](C)CC#N)c(C)c1 ZINC000138169397 1032575665 /nfs/dbraw/zinc/57/56/65/1032575665.db2.gz YLVFSZVSUUKBOB-INIZCTEOSA-N 1 1 301.434 3.565 20 30 DHEDMO C=CCn1cc(C[NH2+][C@@H](CC(C)C)c2ccc(Cl)cc2)nn1 ZINC000424300601 1011963549 /nfs/dbraw/zinc/96/35/49/1011963549.db2.gz XYXVHNTUSJQDED-KRWDZBQOSA-N 1 1 318.852 3.995 20 30 DHEDMO C=C(C)C(C)(C)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000424760893 1012127170 /nfs/dbraw/zinc/12/71/70/1012127170.db2.gz WCKYPMMPCBWGPS-UHFFFAOYSA-N 1 1 300.446 3.864 20 30 DHEDMO CC(=O)c1ccc(C#N)c(N[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000664404897 1012164823 /nfs/dbraw/zinc/16/48/23/1012164823.db2.gz YHUAHFYYDHACQP-KRWDZBQOSA-N 1 1 311.429 3.580 20 30 DHEDMO CC[N@@H+](CCCO[C@H]1CCCCO1)[C@H](C)c1ccc(C#N)cc1 ZINC000513897389 1012218665 /nfs/dbraw/zinc/21/86/65/1012218665.db2.gz PXSZLDRKMSCVRL-APWZRJJASA-N 1 1 316.445 3.874 20 30 DHEDMO C=CCN1CCC([NH2+][C@@H](c2ccc(C)cc2)c2cccnc2)CC1 ZINC000924983481 1012337393 /nfs/dbraw/zinc/33/73/93/1012337393.db2.gz FWLIXACKJNYWNE-NRFANRHFSA-N 1 1 321.468 3.719 20 30 DHEDMO C#CC[N@@H+](CN1C[C@H](c2ccccc2C)CC1=O)C1CCCCC1 ZINC000728198613 1012376044 /nfs/dbraw/zinc/37/60/44/1012376044.db2.gz NMOHCPXWMUTQCN-GOSISDBHSA-N 1 1 324.468 3.536 20 30 DHEDMO C#CC[N@H+](CN1C[C@H](c2ccccc2C)CC1=O)C1CCCCC1 ZINC000728198613 1012376059 /nfs/dbraw/zinc/37/60/59/1012376059.db2.gz NMOHCPXWMUTQCN-GOSISDBHSA-N 1 1 324.468 3.536 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000514726957 1012425227 /nfs/dbraw/zinc/42/52/27/1012425227.db2.gz KETOBKWRXDQCPY-PKOBYXMFSA-N 1 1 301.430 3.642 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660710565 1012504857 /nfs/dbraw/zinc/50/48/57/1012504857.db2.gz UZNRJBCDRGKGGE-YPMHNXCESA-N 1 1 307.825 3.536 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+](C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710565 1012504887 /nfs/dbraw/zinc/50/48/87/1012504887.db2.gz UZNRJBCDRGKGGE-YPMHNXCESA-N 1 1 307.825 3.536 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710565 1012504899 /nfs/dbraw/zinc/50/48/99/1012504899.db2.gz UZNRJBCDRGKGGE-YPMHNXCESA-N 1 1 307.825 3.536 20 30 DHEDMO C=CC[C@H](C)C(=O)N1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001269959769 1012522631 /nfs/dbraw/zinc/52/26/31/1012522631.db2.gz IXVWPZKAARZFLG-PXNSSMCTSA-N 1 1 318.505 3.846 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000515509043 1012646531 /nfs/dbraw/zinc/64/65/31/1012646531.db2.gz PXWMBORRXQOIPN-SFHVURJKSA-N 1 1 300.446 3.557 20 30 DHEDMO CN(C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1)C(=O)OC(C)(C)C ZINC000179451563 1012679391 /nfs/dbraw/zinc/67/93/91/1012679391.db2.gz CRBVAEWLYUGTMW-HNNXBMFYSA-N 1 1 323.481 3.505 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425536551 1012738964 /nfs/dbraw/zinc/73/89/64/1012738964.db2.gz OUAPFLXAAGDYLC-CQSZACIVSA-N 1 1 305.381 3.632 20 30 DHEDMO C[C@@H](C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1)C(F)(F)F ZINC001208890026 1012739079 /nfs/dbraw/zinc/73/90/79/1012739079.db2.gz CILIRYTYHDJOTG-GXTWGEPZSA-N 1 1 312.335 3.600 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000425539260 1012740013 /nfs/dbraw/zinc/74/00/13/1012740013.db2.gz TWWSQOGUSYTONB-INIZCTEOSA-N 1 1 311.429 3.652 20 30 DHEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](C)CCCCCCCC)CC1 ZINC001627319112 1012767295 /nfs/dbraw/zinc/76/72/95/1012767295.db2.gz QGIVXKICCFNLGU-SFHVURJKSA-N 1 1 306.494 3.541 20 30 DHEDMO CC(C)C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000164935208 1012797596 /nfs/dbraw/zinc/79/75/96/1012797596.db2.gz ZTDRUCMWGLXROD-AWEZNQCLSA-N 1 1 319.474 3.706 20 30 DHEDMO COc1cccc([C@@H]2CCC[N@H+]2CCc2ccc(C#N)cc2)c1 ZINC001208927473 1012828846 /nfs/dbraw/zinc/82/88/46/1012828846.db2.gz KKFSBHHUQIFSSQ-FQEVSTJZSA-N 1 1 306.409 3.946 20 30 DHEDMO C[C@H](c1cccs1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000336851006 1012943187 /nfs/dbraw/zinc/94/31/87/1012943187.db2.gz BASQHQCKQUECEW-CYBMUJFWSA-N 1 1 313.426 3.641 20 30 DHEDMO N#CCc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000342759914 1017180503 /nfs/dbraw/zinc/18/05/03/1017180503.db2.gz YNRVMSJLMROXNJ-UHFFFAOYSA-N 1 1 321.380 3.825 20 30 DHEDMO N#CCc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000342759914 1017180510 /nfs/dbraw/zinc/18/05/10/1017180510.db2.gz YNRVMSJLMROXNJ-UHFFFAOYSA-N 1 1 321.380 3.825 20 30 DHEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000342767051 1017194001 /nfs/dbraw/zinc/19/40/01/1017194001.db2.gz VOZLSWYKWJNIGD-NSHDSACASA-N 1 1 300.324 3.540 20 30 DHEDMO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cn(-c2ccncc2)nc1C ZINC000657529887 1017196272 /nfs/dbraw/zinc/19/62/72/1017196272.db2.gz KKMORPJDOQLGEE-LPHOPBHVSA-N 1 1 310.445 3.800 20 30 DHEDMO Cc1[nH]c2ccccc2c1C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046519210 1017213945 /nfs/dbraw/zinc/21/39/45/1017213945.db2.gz CGGBJKZNQZCUEV-UHFFFAOYSA-N 1 1 317.392 3.663 20 30 DHEDMO Cc1[nH]c2ccccc2c1C(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046519210 1017213946 /nfs/dbraw/zinc/21/39/46/1017213946.db2.gz CGGBJKZNQZCUEV-UHFFFAOYSA-N 1 1 317.392 3.663 20 30 DHEDMO CC(C)CC[N@H+](CCC#N)Cc1cn(C)nc1-c1ccccc1 ZINC000180059494 1017363328 /nfs/dbraw/zinc/36/33/28/1017363328.db2.gz SNXPZXPKUBAEJI-UHFFFAOYSA-N 1 1 310.445 3.849 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccccc1 ZINC000180059494 1017363342 /nfs/dbraw/zinc/36/33/42/1017363342.db2.gz SNXPZXPKUBAEJI-UHFFFAOYSA-N 1 1 310.445 3.849 20 30 DHEDMO Cc1ccc(C#N)c(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000346858194 1017398850 /nfs/dbraw/zinc/39/88/50/1017398850.db2.gz ZOHZSFNJEGXVKC-DNVCBOLYSA-N 1 1 320.440 3.584 20 30 DHEDMO CC(C)C[N@@H+](CCO[C@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC000444601527 1017588479 /nfs/dbraw/zinc/58/84/79/1017588479.db2.gz DZJJHLYTWOPBNB-IBGZPJMESA-N 1 1 316.445 3.559 20 30 DHEDMO CC[N@@H+](CCCCC(C)(C)C#N)Cc1ccc2c(c1)OCO2 ZINC000444598628 1017590994 /nfs/dbraw/zinc/59/09/94/1017590994.db2.gz SDVZXTFSCGKEEV-UHFFFAOYSA-N 1 1 302.418 3.957 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444684047 1017627720 /nfs/dbraw/zinc/62/77/20/1017627720.db2.gz KCNWOTBMVOLNPO-OAHLLOKOSA-N 1 1 308.466 3.760 20 30 DHEDMO CCC[N@H+]1CC[C@H](CNc2c(C#N)cnc3c(C)cccc32)C1 ZINC000091457853 1017681334 /nfs/dbraw/zinc/68/13/34/1017681334.db2.gz IRJCVQNXOXGIKM-OAHLLOKOSA-N 1 1 308.429 3.559 20 30 DHEDMO C=CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000674051879 1017776919 /nfs/dbraw/zinc/77/69/19/1017776919.db2.gz KFKNUSAICBJGRU-QGZVFWFLSA-N 1 1 312.457 3.860 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000625701446 1017777828 /nfs/dbraw/zinc/77/78/28/1017777828.db2.gz JPPNOFKWFQGJSV-VQIMIIECSA-N 1 1 301.430 3.642 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000625702965 1017784551 /nfs/dbraw/zinc/78/45/51/1017784551.db2.gz KGRKBKNBLXCZKQ-INIZCTEOSA-N 1 1 300.446 3.955 20 30 DHEDMO C=CC[N@H+](CCC(=O)NCCCC)Cc1ccc(Cl)s1 ZINC000523842291 1017812500 /nfs/dbraw/zinc/81/25/00/1017812500.db2.gz SVIGYFPVCFFZCA-UHFFFAOYSA-N 1 1 314.882 3.696 20 30 DHEDMO C[NH+](C)Cc1c(F)cc(NCc2ccccc2C#N)cc1F ZINC001167636997 1017840722 /nfs/dbraw/zinc/84/07/22/1017840722.db2.gz BCXNVNFNEBVMLB-UHFFFAOYSA-N 1 1 301.340 3.510 20 30 DHEDMO C#CC1CC[NH+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC001171490035 1032733642 /nfs/dbraw/zinc/73/36/42/1032733642.db2.gz MVWSJZIPAPPGFG-UHFFFAOYSA-N 1 1 318.420 3.637 20 30 DHEDMO COc1cc2c(cc1OC)C[N@@H+]([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000172394415 1018042931 /nfs/dbraw/zinc/04/29/31/1018042931.db2.gz LWEJVEQWYHSZLF-AWEZNQCLSA-N 1 1 322.408 3.695 20 30 DHEDMO COc1cc2c(cc1OC)C[N@H+]([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000172394415 1018042944 /nfs/dbraw/zinc/04/29/44/1018042944.db2.gz LWEJVEQWYHSZLF-AWEZNQCLSA-N 1 1 322.408 3.695 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000162551319 1018096526 /nfs/dbraw/zinc/09/65/26/1018096526.db2.gz OZLOQEGPKLHSMZ-MRXNPFEDSA-N 1 1 314.429 3.925 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858016905 1032744721 /nfs/dbraw/zinc/74/47/21/1032744721.db2.gz INMVRONWYCVAPV-HXUWFJFHSA-N 1 1 318.420 3.594 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858016904 1032747475 /nfs/dbraw/zinc/74/74/75/1032747475.db2.gz INMVRONWYCVAPV-FQEVSTJZSA-N 1 1 318.420 3.594 20 30 DHEDMO CCC(CC)[N@@H+](CCOc1ccc(C#N)cc1OC)C1CC1 ZINC000525422640 1018289371 /nfs/dbraw/zinc/28/93/71/1018289371.db2.gz DHSMGRNLWMEKGV-UHFFFAOYSA-N 1 1 302.418 3.599 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171541107 1032754836 /nfs/dbraw/zinc/75/48/36/1032754836.db2.gz FLRSNHHOHWQSNK-WCQYABFASA-N 1 1 308.347 3.587 20 30 DHEDMO C#CCOc1ccc([C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000764635457 1018337257 /nfs/dbraw/zinc/33/72/57/1018337257.db2.gz MXOTYNBSBXTLNY-HNNXBMFYSA-N 1 1 314.473 3.658 20 30 DHEDMO C#CC[N@@H+](CC(=O)Nc1c(CC)cccc1CC)C1CCCC1 ZINC000155887265 1018352212 /nfs/dbraw/zinc/35/22/12/1018352212.db2.gz XOMZDQAMIQKZBF-UHFFFAOYSA-N 1 1 312.457 3.628 20 30 DHEDMO C#CC[N@H+](CC(=O)Nc1c(CC)cccc1CC)C1CCCC1 ZINC000155887265 1018352221 /nfs/dbraw/zinc/35/22/21/1018352221.db2.gz XOMZDQAMIQKZBF-UHFFFAOYSA-N 1 1 312.457 3.628 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000583331228 1018355685 /nfs/dbraw/zinc/35/56/85/1018355685.db2.gz XERVOQNKTBDQOJ-OAHLLOKOSA-N 1 1 300.446 3.817 20 30 DHEDMO C[C@H]1CN(Cc2ccccc2)CC[N@H+]1CCCCC(C)(C)C#N ZINC000383076017 1018362634 /nfs/dbraw/zinc/36/26/34/1018362634.db2.gz WZKRCVXNVHPOAT-SFHVURJKSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1CCCCC(C)(C)C#N ZINC000383076017 1018362645 /nfs/dbraw/zinc/36/26/45/1018362645.db2.gz WZKRCVXNVHPOAT-SFHVURJKSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H](c2ccco2)C1 ZINC000246113537 1018406711 /nfs/dbraw/zinc/40/67/11/1018406711.db2.gz XSROUTPCOCQAPT-OLMNPRSZSA-N 1 1 310.397 3.658 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Oc3cccc(F)c3)nc2)o1 ZINC000174326508 1018417064 /nfs/dbraw/zinc/41/70/64/1018417064.db2.gz QHPUTQNIUMBZLF-UHFFFAOYSA-N 1 1 323.327 3.767 20 30 DHEDMO C=CCc1cc(C[N@@H+](CC)Cc2ccoc2)cc(OC)c1O ZINC000092935840 1018421716 /nfs/dbraw/zinc/42/17/16/1018421716.db2.gz ROCZDEMTVWORDJ-UHFFFAOYSA-N 1 1 301.386 3.744 20 30 DHEDMO CC[C@@H](NC[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccc(C#N)cc1 ZINC000447585556 1018429394 /nfs/dbraw/zinc/42/93/94/1018429394.db2.gz KLXFUFQYYPIZLL-AZUAARDMSA-N 1 1 313.489 3.967 20 30 DHEDMO CC[C@@H](NC[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(C#N)cc1 ZINC000447585556 1018429399 /nfs/dbraw/zinc/42/93/99/1018429399.db2.gz KLXFUFQYYPIZLL-AZUAARDMSA-N 1 1 313.489 3.967 20 30 DHEDMO C[C@@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1ccc(C#N)cc1 ZINC000447834779 1018483291 /nfs/dbraw/zinc/48/32/91/1018483291.db2.gz XSCVSSXFRVYETL-CQSZACIVSA-N 1 1 302.381 3.799 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000765148187 1018483769 /nfs/dbraw/zinc/48/37/69/1018483769.db2.gz UABNCYQLYSEMIT-KSSFIOAISA-N 1 1 322.880 3.809 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cn2)[C@@H](C)C2CC2)cc1 ZINC000583508023 1018519002 /nfs/dbraw/zinc/51/90/02/1018519002.db2.gz XNYBLOCQFPNUSB-HNNXBMFYSA-N 1 1 321.424 3.763 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000527190873 1018527453 /nfs/dbraw/zinc/52/74/53/1018527453.db2.gz KNZBSBRUFLHPGU-SWLSCSKDSA-N 1 1 312.335 3.663 20 30 DHEDMO C=C(Br)C[NH2+]Cc1ccsc1C(F)(F)F ZINC000704311745 1018538579 /nfs/dbraw/zinc/53/85/79/1018538579.db2.gz VSFPAVCTLKSBTD-UHFFFAOYSA-N 1 1 300.143 3.765 20 30 DHEDMO COc1cccc([C@@H](O)C[N@@H+](CCCC#N)Cc2ccccc2)c1 ZINC000157898234 1018698895 /nfs/dbraw/zinc/69/88/95/1018698895.db2.gz SOYVGZJKLGBEDZ-FQEVSTJZSA-N 1 1 324.424 3.535 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@](C)(O)C1CCCCC1 ZINC000329483721 1018705586 /nfs/dbraw/zinc/70/55/86/1018705586.db2.gz FHAALAAAJAAJHC-SJLPKXTDSA-N 1 1 310.482 3.539 20 30 DHEDMO C[C@H](NCC1(C#N)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000405067514 1018726649 /nfs/dbraw/zinc/72/66/49/1018726649.db2.gz BPTRPBDNEWESJB-HKUYNNGSSA-N 1 1 311.473 3.571 20 30 DHEDMO C=CCSc1nc2ccccc2n1C[N@H+](C)[C@@H]1CCSC1 ZINC000755799225 1018747889 /nfs/dbraw/zinc/74/78/89/1018747889.db2.gz VSLIZSGLNMETAB-CYBMUJFWSA-N 1 1 319.499 3.709 20 30 DHEDMO COc1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@H](C#N)CC3)CCO2)cc1 ZINC001168663238 1018776201 /nfs/dbraw/zinc/77/62/01/1018776201.db2.gz SSQAXQQAXOSKEB-IEZWGBDMSA-N 1 1 314.429 3.541 20 30 DHEDMO Clc1ccc(C#CC[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000583963450 1018780632 /nfs/dbraw/zinc/78/06/32/1018780632.db2.gz JWHHSEJVXAUZOT-ZWKOTPCHSA-N 1 1 315.844 3.725 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000583963450 1018780640 /nfs/dbraw/zinc/78/06/40/1018780640.db2.gz JWHHSEJVXAUZOT-ZWKOTPCHSA-N 1 1 315.844 3.725 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000765452257 1018790428 /nfs/dbraw/zinc/79/04/28/1018790428.db2.gz ZMWGUTRBSLMSHU-LSDHHAIUSA-N 1 1 310.869 3.809 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)CCN(C)C)cc1 ZINC000765452257 1018790443 /nfs/dbraw/zinc/79/04/43/1018790443.db2.gz ZMWGUTRBSLMSHU-LSDHHAIUSA-N 1 1 310.869 3.809 20 30 DHEDMO Cc1cccc2c1CC[C@@H]([N@H+](CCC#N)Cc1cccnc1)C2 ZINC001171565240 1032786814 /nfs/dbraw/zinc/78/68/14/1032786814.db2.gz MSJJLQFWDSIYSV-LJQANCHMSA-N 1 1 305.425 3.663 20 30 DHEDMO Cc1cccc2c1CC[C@@H]([N@@H+](CCC#N)Cc1cccnc1)C2 ZINC001171565240 1032786849 /nfs/dbraw/zinc/78/68/49/1032786849.db2.gz MSJJLQFWDSIYSV-LJQANCHMSA-N 1 1 305.425 3.663 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248399454 1018899981 /nfs/dbraw/zinc/89/99/81/1018899981.db2.gz JWKDJOSOXYISMF-BBWFWOEESA-N 1 1 321.509 3.683 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)C1CCN(Cc2ccccc2)CC1 ZINC000074322006 1018930824 /nfs/dbraw/zinc/93/08/24/1018930824.db2.gz ZXFKNBPHHGLBLF-UHFFFAOYSA-N 1 1 319.452 3.655 20 30 DHEDMO CN(Cc1cccc(C#N)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322006 1018930835 /nfs/dbraw/zinc/93/08/35/1018930835.db2.gz ZXFKNBPHHGLBLF-UHFFFAOYSA-N 1 1 319.452 3.655 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1COc2ccccc2O1 ZINC000615463690 1018937662 /nfs/dbraw/zinc/93/76/62/1018937662.db2.gz HUZOVKGXUYBVFZ-MRXNPFEDSA-N 1 1 313.372 3.654 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H]1COc2ccccc2O1 ZINC000615463690 1018937695 /nfs/dbraw/zinc/93/76/95/1018937695.db2.gz HUZOVKGXUYBVFZ-MRXNPFEDSA-N 1 1 313.372 3.654 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1cc(Cl)cc2c1OCC2 ZINC000922986193 1018962421 /nfs/dbraw/zinc/96/24/21/1018962421.db2.gz DREPZJKYJVZBJO-SNVBAGLBSA-N 1 1 302.761 3.590 20 30 DHEDMO C=CC1CC[NH+](CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000111257860 1019013906 /nfs/dbraw/zinc/01/39/06/1019013906.db2.gz IQMFNSXRTDKGNO-UHFFFAOYSA-N 1 1 312.335 3.542 20 30 DHEDMO C=C(C)[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)c(F)c1 ZINC000248549316 1019028322 /nfs/dbraw/zinc/02/83/22/1019028322.db2.gz HGVLGIQAORIBCC-VKJFTORMSA-N 1 1 306.400 3.798 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000248627037 1019082544 /nfs/dbraw/zinc/08/25/44/1019082544.db2.gz OVIGNLJUPBLVOD-QZTJIDSGSA-N 1 1 314.473 3.712 20 30 DHEDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1C#N ZINC000064350198 1019130122 /nfs/dbraw/zinc/13/01/22/1019130122.db2.gz SBDCCLWRCNCKGJ-UHFFFAOYSA-N 1 1 309.369 3.877 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1C#N ZINC000064350198 1019130131 /nfs/dbraw/zinc/13/01/31/1019130131.db2.gz SBDCCLWRCNCKGJ-UHFFFAOYSA-N 1 1 309.369 3.877 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000186172175 1019193315 /nfs/dbraw/zinc/19/33/15/1019193315.db2.gz KSVIBXOWANLOLG-UHFFFAOYSA-N 1 1 305.425 3.579 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000118390302 1019226526 /nfs/dbraw/zinc/22/65/26/1019226526.db2.gz FOVCZIGIXDDNQI-OAHLLOKOSA-N 1 1 309.388 3.581 20 30 DHEDMO C=CCCC[N@H+](C)C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000077176965 1019253391 /nfs/dbraw/zinc/25/33/91/1019253391.db2.gz FMRSFJDOEWCZRN-PBHICJAKSA-N 1 1 311.853 3.677 20 30 DHEDMO CC(C)[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCC1 ZINC000077358176 1019293797 /nfs/dbraw/zinc/29/37/97/1019293797.db2.gz YVIWXFSLNNQJDR-UHFFFAOYSA-N 1 1 319.836 3.803 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c(F)c1 ZINC000077381651 1019297367 /nfs/dbraw/zinc/29/73/67/1019297367.db2.gz XFEJYRHIHMFWAG-QGZVFWFLSA-N 1 1 324.355 3.763 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c(F)c1 ZINC000077381651 1019297371 /nfs/dbraw/zinc/29/73/71/1019297371.db2.gz XFEJYRHIHMFWAG-QGZVFWFLSA-N 1 1 324.355 3.763 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cn3cccc(F)c3n2)C2CC2)cc1 ZINC000611254269 1019421155 /nfs/dbraw/zinc/42/11/55/1019421155.db2.gz KJZRKLJSPWHZLT-UHFFFAOYSA-N 1 1 320.371 3.510 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2cn3cccc(F)c3n2)C2CC2)cc1 ZINC000611254269 1019421163 /nfs/dbraw/zinc/42/11/63/1019421163.db2.gz KJZRKLJSPWHZLT-UHFFFAOYSA-N 1 1 320.371 3.510 20 30 DHEDMO CC[C@H](C)Oc1cc(C[N@H+](CC)C[C@H](C)C#N)ccc1OC ZINC000611260938 1019425467 /nfs/dbraw/zinc/42/54/67/1019425467.db2.gz CUVHTVWPBHRBJL-CABCVRRESA-N 1 1 304.434 3.854 20 30 DHEDMO CC[C@H](C)Oc1cc(C[N@@H+](CC)C[C@H](C)C#N)ccc1OC ZINC000611260938 1019425476 /nfs/dbraw/zinc/42/54/76/1019425476.db2.gz CUVHTVWPBHRBJL-CABCVRRESA-N 1 1 304.434 3.854 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000113933812 1019427615 /nfs/dbraw/zinc/42/76/15/1019427615.db2.gz YATBHQZXYCFAQM-FXAWDEMLSA-N 1 1 311.473 3.645 20 30 DHEDMO Cc1cc(C)cc(C2=CC[N@H+](Cc3ccnc(C#N)c3)CC2)c1 ZINC000611282189 1019435071 /nfs/dbraw/zinc/43/50/71/1019435071.db2.gz ISRNLPBIKNUKRF-UHFFFAOYSA-N 1 1 303.409 3.859 20 30 DHEDMO Cc1cc(C)cc(C2=CC[N@@H+](Cc3ccnc(C#N)c3)CC2)c1 ZINC000611282189 1019435083 /nfs/dbraw/zinc/43/50/83/1019435083.db2.gz ISRNLPBIKNUKRF-UHFFFAOYSA-N 1 1 303.409 3.859 20 30 DHEDMO CC(C)C[NH+]1CCC(N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390744 1019465853 /nfs/dbraw/zinc/46/58/53/1019465853.db2.gz RPBQCHULZGIWLH-FQEVSTJZSA-N 1 1 311.473 3.646 20 30 DHEDMO Cn1cc(C[N@@H+](C)Cc2ccsc2)c(-c2ccc(C#N)cc2)n1 ZINC000611518015 1019511831 /nfs/dbraw/zinc/51/18/31/1019511831.db2.gz NCOHEZGCDURIQI-UHFFFAOYSA-N 1 1 322.437 3.652 20 30 DHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000611554239 1019513035 /nfs/dbraw/zinc/51/30/35/1019513035.db2.gz JGMOWDNNCHFZFS-JSGCOSHPSA-N 1 1 321.346 3.974 20 30 DHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cn2ccccc2c1C#N ZINC000611554239 1019513044 /nfs/dbraw/zinc/51/30/44/1019513044.db2.gz JGMOWDNNCHFZFS-JSGCOSHPSA-N 1 1 321.346 3.974 20 30 DHEDMO Cc1ccc2nc(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)cn2c1 ZINC000128234757 1019717026 /nfs/dbraw/zinc/71/70/26/1019717026.db2.gz PHDCQBMWIUFQCB-UHFFFAOYSA-N 1 1 318.424 3.925 20 30 DHEDMO C[C@H]1C[C@H](NC2=CC(=O)CC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC001171731990 1032851082 /nfs/dbraw/zinc/85/10/82/1032851082.db2.gz FUANJKSAQSJGFG-YJBOKZPZSA-N 1 1 312.457 3.512 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(C#N)CCC3)cc2)C1 ZINC000129710842 1032852326 /nfs/dbraw/zinc/85/23/26/1032852326.db2.gz GKSCRUFISUIQCL-OAHLLOKOSA-N 1 1 311.429 3.551 20 30 DHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000067978361 1019826040 /nfs/dbraw/zinc/82/60/40/1019826040.db2.gz RGVSIKXKITVMDO-SFHVURJKSA-N 1 1 311.429 3.541 20 30 DHEDMO C=C(Cl)C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000309652005 1019934155 /nfs/dbraw/zinc/93/41/55/1019934155.db2.gz UDOXHCHWYMKGCS-LLVKDONJSA-N 1 1 302.599 3.615 20 30 DHEDMO CCCCCCC[C@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000731119246 1020069293 /nfs/dbraw/zinc/06/92/93/1020069293.db2.gz GUKHYGGIHLKBRZ-IRXDYDNUSA-N 1 1 311.514 3.624 20 30 DHEDMO Cc1ccc2ncc(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)n2c1 ZINC000154389569 1020103098 /nfs/dbraw/zinc/10/30/98/1020103098.db2.gz VKQYRKUITHHRMW-UHFFFAOYSA-N 1 1 318.424 3.925 20 30 DHEDMO C=CCC[C@H](O)CN1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347723049 1020119854 /nfs/dbraw/zinc/11/98/54/1020119854.db2.gz FCLMLRTWJXUCCT-XJKSGUPXSA-N 1 1 319.836 3.680 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347723049 1020119859 /nfs/dbraw/zinc/11/98/59/1020119859.db2.gz FCLMLRTWJXUCCT-XJKSGUPXSA-N 1 1 319.836 3.680 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)c1 ZINC000093668111 1020164642 /nfs/dbraw/zinc/16/46/42/1020164642.db2.gz WGCRBZILCYLEDM-MRXNPFEDSA-N 1 1 310.422 3.857 20 30 DHEDMO CC[NH+](CC)[C@H](C(=O)OCc1ccc(C#N)cc1)c1ccccc1 ZINC000731908744 1020169959 /nfs/dbraw/zinc/16/99/59/1020169959.db2.gz RKHDGSRLGYUSMA-IBGZPJMESA-N 1 1 322.408 3.685 20 30 DHEDMO C[N@@H+](CCc1ccc(Br)cc1)CCC(C)(C)C#N ZINC000131537489 1020207044 /nfs/dbraw/zinc/20/70/44/1020207044.db2.gz CVBXCHYAXOSMNI-UHFFFAOYSA-N 1 1 309.251 3.863 20 30 DHEDMO CC[C@@H](C)C[N@@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000732205530 1020211843 /nfs/dbraw/zinc/21/18/43/1020211843.db2.gz JKBTYZSOWJMKEM-OAHLLOKOSA-N 1 1 315.461 3.528 20 30 DHEDMO C[NH+](C)Cc1c(F)cc(NCCc2ccc(C#N)cc2)cc1F ZINC001167682597 1020217010 /nfs/dbraw/zinc/21/70/10/1020217010.db2.gz JKXZANNBQLEVOT-UHFFFAOYSA-N 1 1 315.367 3.553 20 30 DHEDMO C=C(Br)C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000732411251 1020241542 /nfs/dbraw/zinc/24/15/42/1020241542.db2.gz YWAIHISGFHNJBR-UHFFFAOYSA-N 1 1 324.262 3.824 20 30 DHEDMO Cn1c(N[C@H](CCC#N)c2ccccc2)[nH+]c2cccc(F)c21 ZINC000337033563 1032886898 /nfs/dbraw/zinc/88/68/98/1032886898.db2.gz ZZBDOFBZZVKSSK-OAHLLOKOSA-N 1 1 308.360 4.169 20 30 DHEDMO COc1ccc2oc(C[NH2+]Cc3ccc(C#N)cc3F)cc2c1 ZINC000179303674 1020256716 /nfs/dbraw/zinc/25/67/16/1020256716.db2.gz VXUBJFRQKLKRAR-UHFFFAOYSA-N 1 1 310.328 3.742 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000331291706 1020262184 /nfs/dbraw/zinc/26/21/84/1020262184.db2.gz WOSCRJUPANCFIL-RHSMWYFYSA-N 1 1 314.429 3.673 20 30 DHEDMO C=CC[N@@H+](CC1CCCCC1)Cn1nccc1-c1cccnc1 ZINC000732669895 1020267038 /nfs/dbraw/zinc/26/70/38/1020267038.db2.gz INHBPFOSRHWOLV-UHFFFAOYSA-N 1 1 310.445 3.971 20 30 DHEDMO N#CCCOCC[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000338880201 1020279985 /nfs/dbraw/zinc/27/99/85/1020279985.db2.gz LFSIFTJWGGTONE-INIZCTEOSA-N 1 1 318.467 3.687 20 30 DHEDMO CC(C)(C#N)C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000903100552 1020350838 /nfs/dbraw/zinc/35/08/38/1020350838.db2.gz SKJTZLKMGQJMHB-ZDUSSCGKSA-N 1 1 323.234 3.802 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@](C)(C#N)C3)cc2)n1 ZINC000612161342 1020353743 /nfs/dbraw/zinc/35/37/43/1020353743.db2.gz CKMSDHXHXUEOLV-LJQANCHMSA-N 1 1 308.429 3.615 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@](C)(C#N)C3)cc2)n1 ZINC000612161342 1020353751 /nfs/dbraw/zinc/35/37/51/1020353751.db2.gz CKMSDHXHXUEOLV-LJQANCHMSA-N 1 1 308.429 3.615 20 30 DHEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCCOc2cccnc2)cc1 ZINC001168621122 1020376873 /nfs/dbraw/zinc/37/68/73/1020376873.db2.gz NYPIBKUSHVELOT-HXUWFJFHSA-N 1 1 323.440 3.895 20 30 DHEDMO COc1ccc(C[N@H+](CCC#N)CCC(C)C)c(C)c1OC ZINC000347782237 1020415722 /nfs/dbraw/zinc/41/57/22/1020415722.db2.gz IQFKVODPJMZOMQ-UHFFFAOYSA-N 1 1 304.434 3.774 20 30 DHEDMO COc1ccc(C[N@@H+](CCC#N)CCC(C)C)c(C)c1OC ZINC000347782237 1020415727 /nfs/dbraw/zinc/41/57/27/1020415727.db2.gz IQFKVODPJMZOMQ-UHFFFAOYSA-N 1 1 304.434 3.774 20 30 DHEDMO CCOC(=O)CC[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000161990960 1020437986 /nfs/dbraw/zinc/43/79/86/1020437986.db2.gz PBUXTXCSLKQXBJ-DOTOQJQBSA-N 1 1 314.429 3.675 20 30 DHEDMO N#CCOc1ccc(C[N@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000733796765 1020447964 /nfs/dbraw/zinc/44/79/64/1020447964.db2.gz MVTZBNSUUXOMBK-UHFFFAOYSA-N 1 1 324.399 3.935 20 30 DHEDMO C=CCN(CC=C)[C@@H](C[NH2+][C@@H]1CCCc2oc(C)nc21)C(C)C ZINC000924641848 1032903971 /nfs/dbraw/zinc/90/39/71/1032903971.db2.gz DAQZNUCJOGOBCD-SJORKVTESA-N 1 1 317.477 3.649 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+](CC2CCC2)[C@H](C)c2ccccc2)C1=O ZINC000337134356 1032905359 /nfs/dbraw/zinc/90/53/59/1032905359.db2.gz BHHQGEZDSRNGMU-VQIMIIECSA-N 1 1 312.457 3.637 20 30 DHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075637864 1020499915 /nfs/dbraw/zinc/49/99/15/1020499915.db2.gz IXGDIKLLLNUCAD-CJNGLKHVSA-N 1 1 310.401 3.619 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2nsnc21 ZINC000766031061 1020501533 /nfs/dbraw/zinc/50/15/33/1020501533.db2.gz INEJQASOAYMQSU-UHFFFAOYSA-N 1 1 322.437 3.974 20 30 DHEDMO CC(C)c1csc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000125640597 1032906944 /nfs/dbraw/zinc/90/69/44/1032906944.db2.gz KDQBXMNCFMUVAJ-ZDUSSCGKSA-N 1 1 315.442 3.847 20 30 DHEDMO Cc1ccc(C#N)c(NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)n1 ZINC000302398785 1020537246 /nfs/dbraw/zinc/53/72/46/1020537246.db2.gz JMPXCOAOWVHNKA-HXUWFJFHSA-N 1 1 320.440 3.728 20 30 DHEDMO CCC(C)(C)[N@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000733996512 1020541505 /nfs/dbraw/zinc/54/15/05/1020541505.db2.gz LBWUYMWCKDURFK-GFCCVEGCSA-N 1 1 315.442 3.593 20 30 DHEDMO CCC(C)(C)[N@@H+](C)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000733996512 1020541512 /nfs/dbraw/zinc/54/15/12/1020541512.db2.gz LBWUYMWCKDURFK-GFCCVEGCSA-N 1 1 315.442 3.593 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000132546533 1020551584 /nfs/dbraw/zinc/55/15/84/1020551584.db2.gz VEEAVURDAHIEJI-INIZCTEOSA-N 1 1 322.408 3.565 20 30 DHEDMO Cc1cc(C)nc(N=NC2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000734296096 1020580755 /nfs/dbraw/zinc/58/07/55/1020580755.db2.gz NIXOFSZAFUTLGE-INIZCTEOSA-N 1 1 323.444 3.546 20 30 DHEDMO CCC1(CC)[C@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C[C@@H]1OC ZINC000337198118 1032917375 /nfs/dbraw/zinc/91/73/75/1032917375.db2.gz ZIXQECHNIPCJNZ-SJORKVTESA-N 1 1 322.493 3.612 20 30 DHEDMO CC[N@@H+](C[C@](O)(CC)C(F)(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000929333564 1020601035 /nfs/dbraw/zinc/60/10/35/1020601035.db2.gz PGQLPQOZHUABNP-SWLSCSKDSA-N 1 1 314.351 3.645 20 30 DHEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000163875368 1020623018 /nfs/dbraw/zinc/62/30/18/1020623018.db2.gz KYTOGHVZNKXBRF-XJKSGUPXSA-N 1 1 306.837 3.727 20 30 DHEDMO COc1ccc(C[NH2+]CC(C)(C)C#N)cc1OCc1ccccc1 ZINC000612585227 1020631757 /nfs/dbraw/zinc/63/17/57/1020631757.db2.gz SPXYRPJVYDABJP-UHFFFAOYSA-N 1 1 324.424 3.914 20 30 DHEDMO CC(C)(C#N)C[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000612587936 1020634778 /nfs/dbraw/zinc/63/47/78/1020634778.db2.gz GVWFTQSUBGUAJB-UHFFFAOYSA-N 1 1 322.456 3.864 20 30 DHEDMO COC(=O)c1ccccc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000180028433 1020705585 /nfs/dbraw/zinc/70/55/85/1020705585.db2.gz BUKNVDZYTIMGPU-UHFFFAOYSA-N 1 1 320.392 3.509 20 30 DHEDMO COC(=O)c1ccccc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000180028433 1020705595 /nfs/dbraw/zinc/70/55/95/1020705595.db2.gz BUKNVDZYTIMGPU-UHFFFAOYSA-N 1 1 320.392 3.509 20 30 DHEDMO C[N@@H+](Cc1ccccc1)Cc1cc(Cl)ccc1OCC#N ZINC000735305415 1020716408 /nfs/dbraw/zinc/71/64/08/1020716408.db2.gz ZHPNNJVWJNNKBJ-UHFFFAOYSA-N 1 1 300.789 3.874 20 30 DHEDMO CC[N@@H+](CCC1CC1)Cc1ccc(C#N)cc1Br ZINC000612829042 1020722712 /nfs/dbraw/zinc/72/27/12/1020722712.db2.gz HSUPNFAKUINLCW-UHFFFAOYSA-N 1 1 307.235 3.943 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000735494307 1020743380 /nfs/dbraw/zinc/74/33/80/1020743380.db2.gz BLORVPYUEDFHJG-LJQANCHMSA-N 1 1 324.449 3.879 20 30 DHEDMO CCCCCC[N@@H+](C)CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000735657998 1020759898 /nfs/dbraw/zinc/75/98/98/1020759898.db2.gz QMXYSFNPSRZIKF-MRXNPFEDSA-N 1 1 321.852 3.533 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCS[C@@H](C)[C@H]2C)c1O ZINC000735665874 1020760073 /nfs/dbraw/zinc/76/00/73/1020760073.db2.gz BCDWTTPUACDEGL-KGLIPLIRSA-N 1 1 321.486 3.845 20 30 DHEDMO C(#Cc1ccccc1)CNCc1ccccc1C[NH+]1CCCCC1 ZINC000736354970 1020810708 /nfs/dbraw/zinc/81/07/08/1020810708.db2.gz AESAOGGEJBDQKW-UHFFFAOYSA-N 1 1 318.464 3.814 20 30 DHEDMO C=CCCC[N@@H+](C)Cn1ccn(Cc2ccccc2)c1=S ZINC000736585666 1020822970 /nfs/dbraw/zinc/82/29/70/1020822970.db2.gz VXAVWZXHUWCOIH-UHFFFAOYSA-N 1 1 301.459 3.923 20 30 DHEDMO C=CCCC[N@H+](C)Cn1ccn(Cc2ccccc2)c1=S ZINC000736585666 1020822979 /nfs/dbraw/zinc/82/29/79/1020822979.db2.gz VXAVWZXHUWCOIH-UHFFFAOYSA-N 1 1 301.459 3.923 20 30 DHEDMO C=CCCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000448385617 1020837235 /nfs/dbraw/zinc/83/72/35/1020837235.db2.gz HBJDUFDEGVBXHL-KRWDZBQOSA-N 1 1 321.509 3.639 20 30 DHEDMO C#Cc1cccc(N(CCn2cc[nH+]c2C)Cc2cccs2)c1 ZINC000766253129 1020936649 /nfs/dbraw/zinc/93/66/49/1020936649.db2.gz UROPWWZWSSRCBG-UHFFFAOYSA-N 1 1 321.449 3.941 20 30 DHEDMO C=C[C@@H](CC(=O)N[C@H](C)C[N@H+](C)CCCC)c1ccccc1 ZINC000685888422 1020986667 /nfs/dbraw/zinc/98/66/67/1020986667.db2.gz HIGRSRUSDBAFOA-SJORKVTESA-N 1 1 302.462 3.583 20 30 DHEDMO CC[N@H+]1CCC(N=Nc2ncc(Cl)cc2Cl)[C@@H](C)C1 ZINC000741456113 1021011745 /nfs/dbraw/zinc/01/17/45/1021011745.db2.gz HNMQGUZWYAQCQO-VIFPVBQESA-N 1 1 301.221 3.518 20 30 DHEDMO COc1ccc([C@H](C)[N@H+](C)Cc2ccc(OC)cc2C#N)cc1 ZINC001137704878 1021084752 /nfs/dbraw/zinc/08/47/52/1021084752.db2.gz XWJBYHOPPMRGNX-AWEZNQCLSA-N 1 1 310.397 3.768 20 30 DHEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(OC)cc2C#N)cc1 ZINC001137704878 1021084759 /nfs/dbraw/zinc/08/47/59/1021084759.db2.gz XWJBYHOPPMRGNX-AWEZNQCLSA-N 1 1 310.397 3.768 20 30 DHEDMO C#CCOc1ccccc1C[NH2+]Cc1cccc(Cl)c1F ZINC000742388321 1021111265 /nfs/dbraw/zinc/11/12/65/1021111265.db2.gz RUBDVALEBGFJCJ-UHFFFAOYSA-N 1 1 303.764 3.781 20 30 DHEDMO C=CCCCN(C)C(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000659270270 1021314569 /nfs/dbraw/zinc/31/45/69/1021314569.db2.gz VQBHDADPSISWTO-CQSZACIVSA-N 1 1 315.244 3.679 20 30 DHEDMO C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C[N@H+]1C1CC1 ZINC000618197824 1021322232 /nfs/dbraw/zinc/32/22/32/1021322232.db2.gz CVHQQRDYDGUCIF-ZWNOBZJWSA-N 1 1 309.335 3.614 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000264562390 1032975458 /nfs/dbraw/zinc/97/54/58/1032975458.db2.gz OVDCRMUPNYNFPF-INIZCTEOSA-N 1 1 310.372 3.718 20 30 DHEDMO Cc1cc(Br)ccc1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000618613551 1021439654 /nfs/dbraw/zinc/43/96/54/1021439654.db2.gz OZHVIRSNVMRVAO-UHFFFAOYSA-N 1 1 319.202 3.854 20 30 DHEDMO Cc1cc(Br)ccc1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000618613551 1021439663 /nfs/dbraw/zinc/43/96/63/1021439663.db2.gz OZHVIRSNVMRVAO-UHFFFAOYSA-N 1 1 319.202 3.854 20 30 DHEDMO Cc1ccc(NCc2ccc(C3(C#N)CC3)cc2)c(N(C)C)[nH+]1 ZINC000850223654 1021445625 /nfs/dbraw/zinc/44/56/25/1021445625.db2.gz IKOWJYLUVNCTCG-UHFFFAOYSA-N 1 1 306.413 3.623 20 30 DHEDMO CC(C)(C#N)C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000122248832 1021469721 /nfs/dbraw/zinc/46/97/21/1021469721.db2.gz MDXLQCZZMPUWGY-ZDUSSCGKSA-N 1 1 323.234 3.802 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000618742203 1021501325 /nfs/dbraw/zinc/50/13/25/1021501325.db2.gz UATHARZVORQTOS-LJQANCHMSA-N 1 1 314.392 3.725 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000618743104 1021504301 /nfs/dbraw/zinc/50/43/01/1021504301.db2.gz WXVIPWCLJHGQKR-FQEVSTJZSA-N 1 1 314.392 3.521 20 30 DHEDMO Cc1cc(C)c(C#N)c(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000538098336 1032984458 /nfs/dbraw/zinc/98/44/58/1032984458.db2.gz FIRVUYABXMJJAS-SJLPKXTDSA-N 1 1 320.440 3.818 20 30 DHEDMO C=C[C@@H](CC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000556074591 1021512730 /nfs/dbraw/zinc/51/27/30/1021512730.db2.gz DASQTSGYZSVBNO-HKUYNNGSSA-N 1 1 314.473 3.679 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000556072563 1021513841 /nfs/dbraw/zinc/51/38/41/1021513841.db2.gz BOQGSJWZLXAXCP-OAHLLOKOSA-N 1 1 324.359 3.546 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1sccc1C#N)CC1CCCCC1 ZINC000069859754 1021571582 /nfs/dbraw/zinc/57/15/82/1021571582.db2.gz VPIMVDNTJSCPRV-UHFFFAOYSA-N 1 1 317.458 3.627 20 30 DHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565046470 1021623184 /nfs/dbraw/zinc/62/31/84/1021623184.db2.gz LCONUJGXIOEFAK-GJZGRUSLSA-N 1 1 319.430 3.572 20 30 DHEDMO CC(C)[N@H+]1CCC[C@@H](COC(=O)CC2(C#N)CCCCC2)C1 ZINC000851096441 1021736197 /nfs/dbraw/zinc/73/61/97/1021736197.db2.gz OKZOTMGGDJTPKN-MRXNPFEDSA-N 1 1 306.450 3.514 20 30 DHEDMO CCOc1ccc(C[NH2+]Cc2cccc(O[C@@H](C#N)CC)c2)o1 ZINC000892971921 1021750094 /nfs/dbraw/zinc/75/00/94/1021750094.db2.gz GMOWLDSRCFHPCN-OAHLLOKOSA-N 1 1 314.385 3.649 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC(N2CCCCC2)C1 ZINC000619466106 1021764565 /nfs/dbraw/zinc/76/45/65/1021764565.db2.gz MXENALJIHKASHL-QLOJAFMTSA-N 1 1 309.457 3.542 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000178330925 1021801798 /nfs/dbraw/zinc/80/17/98/1021801798.db2.gz WPKRAHXBWNZFCE-XMCHAPAWSA-N 1 1 324.399 3.814 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000152736863 1021809506 /nfs/dbraw/zinc/80/95/06/1021809506.db2.gz ILROAKZSZMIVGU-LSDHHAIUSA-N 1 1 320.502 3.528 20 30 DHEDMO C[C@H](C1CCCCC1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000619785707 1021896824 /nfs/dbraw/zinc/89/68/24/1021896824.db2.gz YSUBOVXWYSYNNX-CYBMUJFWSA-N 1 1 319.474 3.849 20 30 DHEDMO C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000195136221 1021924043 /nfs/dbraw/zinc/92/40/43/1021924043.db2.gz ZFPGAUMGNJBIBU-XLIONFOSSA-N 1 1 319.452 3.731 20 30 DHEDMO C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000195136221 1021924047 /nfs/dbraw/zinc/92/40/47/1021924047.db2.gz ZFPGAUMGNJBIBU-XLIONFOSSA-N 1 1 319.452 3.731 20 30 DHEDMO C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000195136221 1021924050 /nfs/dbraw/zinc/92/40/50/1021924050.db2.gz ZFPGAUMGNJBIBU-XLIONFOSSA-N 1 1 319.452 3.731 20 30 DHEDMO CCCCCCCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000763444308 1021958330 /nfs/dbraw/zinc/95/83/30/1021958330.db2.gz ILGBLCZHJSSSIU-IAGOWNOFSA-N 1 1 309.450 3.764 20 30 DHEDMO CCCCCCCC[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000763444308 1021958338 /nfs/dbraw/zinc/95/83/38/1021958338.db2.gz ILGBLCZHJSSSIU-IAGOWNOFSA-N 1 1 309.450 3.764 20 30 DHEDMO C=C(Br)C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000920206076 1022077212 /nfs/dbraw/zinc/07/72/12/1022077212.db2.gz BIOKQKDUSORYJU-UHFFFAOYSA-N 1 1 324.262 3.945 20 30 DHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000776581825 1022100815 /nfs/dbraw/zinc/10/08/15/1022100815.db2.gz MOZPBDAWXBLONK-LSDHHAIUSA-N 1 1 323.481 3.694 20 30 DHEDMO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000852319627 1022105600 /nfs/dbraw/zinc/10/56/00/1022105600.db2.gz QPVSHCCRBARHHC-CVEARBPZSA-N 1 1 321.424 3.792 20 30 DHEDMO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852319627 1022105603 /nfs/dbraw/zinc/10/56/03/1022105603.db2.gz QPVSHCCRBARHHC-CVEARBPZSA-N 1 1 321.424 3.792 20 30 DHEDMO CC[C@@H](CC(F)F)C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331288 1022108276 /nfs/dbraw/zinc/10/82/76/1022108276.db2.gz KOFQJFWNNKAKSR-WMLDXEAASA-N 1 1 307.388 3.620 20 30 DHEDMO CC[C@@H](CC(F)F)C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331288 1022108283 /nfs/dbraw/zinc/10/82/83/1022108283.db2.gz KOFQJFWNNKAKSR-WMLDXEAASA-N 1 1 307.388 3.620 20 30 DHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000852333770 1022109339 /nfs/dbraw/zinc/10/93/39/1022109339.db2.gz UWQDXEVESJCIIJ-UYAOXDASSA-N 1 1 303.409 3.626 20 30 DHEDMO N#C[C@]1(c2ccccn2)CCC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000852333770 1022109344 /nfs/dbraw/zinc/10/93/44/1022109344.db2.gz UWQDXEVESJCIIJ-UYAOXDASSA-N 1 1 303.409 3.626 20 30 DHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000852333767 1022110265 /nfs/dbraw/zinc/11/02/65/1022110265.db2.gz UWQDXEVESJCIIJ-AZUAARDMSA-N 1 1 303.409 3.626 20 30 DHEDMO N#C[C@]1(c2ccccn2)CCC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000852333767 1022110269 /nfs/dbraw/zinc/11/02/69/1022110269.db2.gz UWQDXEVESJCIIJ-AZUAARDMSA-N 1 1 303.409 3.626 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](CCc1ccccc1)C1CC1 ZINC000746460132 1022111712 /nfs/dbraw/zinc/11/17/12/1022111712.db2.gz FJTIMNCLGAIWRR-UHFFFAOYSA-N 1 1 306.409 3.774 20 30 DHEDMO C=CCC[N@@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000561380020 1022135706 /nfs/dbraw/zinc/13/57/06/1022135706.db2.gz WAADFQYBCAJYQR-AWEZNQCLSA-N 1 1 301.308 3.535 20 30 DHEDMO C=CCC[N@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000561380020 1022135717 /nfs/dbraw/zinc/13/57/17/1022135717.db2.gz WAADFQYBCAJYQR-AWEZNQCLSA-N 1 1 301.308 3.535 20 30 DHEDMO CC[C@H]1Cc2ccccc2C[N@H+]1CCOc1ccccc1C#N ZINC001169015318 1022217554 /nfs/dbraw/zinc/21/75/54/1022217554.db2.gz WIVICAXCMOHZPM-IBGZPJMESA-N 1 1 306.409 3.774 20 30 DHEDMO C[N@H+](Cc1ccc(F)cc1Br)[C@H]1CC[C@H](C#N)C1 ZINC000339136609 1022217866 /nfs/dbraw/zinc/21/78/66/1022217866.db2.gz XPUFZLRSGDKVGS-GWCFXTLKSA-N 1 1 311.198 3.712 20 30 DHEDMO C[N@@H+](Cc1ccc(F)cc1Br)[C@H]1CC[C@H](C#N)C1 ZINC000339136609 1022217874 /nfs/dbraw/zinc/21/78/74/1022217874.db2.gz XPUFZLRSGDKVGS-GWCFXTLKSA-N 1 1 311.198 3.712 20 30 DHEDMO C[C@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000120229249 1022225425 /nfs/dbraw/zinc/22/54/25/1022225425.db2.gz IOZFCFSOWMIYRN-LAUBAEHRSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@H]1C[C@H](CNCc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000120229249 1022225430 /nfs/dbraw/zinc/22/54/30/1022225430.db2.gz IOZFCFSOWMIYRN-LAUBAEHRSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@H]1C[C@H](CNCc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000120229249 1022225441 /nfs/dbraw/zinc/22/54/41/1022225441.db2.gz IOZFCFSOWMIYRN-LAUBAEHRSA-N 1 1 319.452 3.558 20 30 DHEDMO CCC1(CC)C[N@@H+](CCOc2ccccc2C#N)CCS1 ZINC001169022695 1022226792 /nfs/dbraw/zinc/22/67/92/1022226792.db2.gz BZKHHDDDZVLGPU-UHFFFAOYSA-N 1 1 304.459 3.545 20 30 DHEDMO Cc1cc(C(F)(F)F)cc(NCc2ccc(OCC#N)cc2)[nH+]1 ZINC000853260729 1022246566 /nfs/dbraw/zinc/24/65/66/1022246566.db2.gz GBADAMAPQFLVLI-UHFFFAOYSA-N 1 1 321.302 3.923 20 30 DHEDMO C=CC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@@H](C)COC ZINC000853532983 1022287178 /nfs/dbraw/zinc/28/71/78/1022287178.db2.gz RJHFBOWMKAPQCV-AWEZNQCLSA-N 1 1 315.413 3.577 20 30 DHEDMO Oc1ccccc1/C=N/C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064367142 1022287885 /nfs/dbraw/zinc/28/78/85/1022287885.db2.gz DYPOYVXIKHHNFU-UZUMKDMXSA-N 1 1 314.454 3.785 20 30 DHEDMO N#CCC[N@H+](CCc1cccc(OC(F)(F)F)c1)CC1CC1 ZINC000154258458 1022291149 /nfs/dbraw/zinc/29/11/49/1022291149.db2.gz SIDOBFRMTVLDCD-UHFFFAOYSA-N 1 1 312.335 3.753 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)c1=S ZINC000853553897 1022291765 /nfs/dbraw/zinc/29/17/65/1022291765.db2.gz HUVGLXHDJXECDZ-MRXNPFEDSA-N 1 1 320.506 3.768 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1=S ZINC000853553897 1022291768 /nfs/dbraw/zinc/29/17/68/1022291768.db2.gz HUVGLXHDJXECDZ-MRXNPFEDSA-N 1 1 320.506 3.768 20 30 DHEDMO C[N@@H+](CCSc1nc(C#N)c(Cl)s1)Cc1ccccc1 ZINC000853553815 1022292093 /nfs/dbraw/zinc/29/20/93/1022292093.db2.gz SMDBRRMIFAUOEI-UHFFFAOYSA-N 1 1 323.874 3.892 20 30 DHEDMO CC[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@@H](C)C#N ZINC000183006383 1022323461 /nfs/dbraw/zinc/32/34/61/1022323461.db2.gz JYQUOSTUASIFNG-INIZCTEOSA-N 1 1 324.424 3.953 20 30 DHEDMO CC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@@H](C)C#N ZINC000183006383 1022323482 /nfs/dbraw/zinc/32/34/82/1022323482.db2.gz JYQUOSTUASIFNG-INIZCTEOSA-N 1 1 324.424 3.953 20 30 DHEDMO C=CC[N@H+](C)C1CCC(C(=O)OC)(c2ccc(Cl)cc2)CC1 ZINC001172215316 1033046452 /nfs/dbraw/zinc/04/64/52/1033046452.db2.gz CFDAJMLULYFHLX-UHFFFAOYSA-N 1 1 321.848 3.811 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000609800696 1022349528 /nfs/dbraw/zinc/34/95/28/1022349528.db2.gz QFNSVGDLMCQEAM-LJQANCHMSA-N 1 1 324.449 3.727 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+](CCCO)C2CC2)cc1 ZINC000609846122 1022362415 /nfs/dbraw/zinc/36/24/15/1022362415.db2.gz ARFGQCDHOICSIS-UHFFFAOYSA-N 1 1 306.409 3.572 20 30 DHEDMO C=C1CC(C(=O)N2CCC[C@@]3(CCC[N@H+](C4CCCC4)C3)C2)C1 ZINC001272709588 1022368939 /nfs/dbraw/zinc/36/89/39/1022368939.db2.gz VNQRLDVAXZBHSI-HXUWFJFHSA-N 1 1 316.489 3.600 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000766666601 1022381529 /nfs/dbraw/zinc/38/15/29/1022381529.db2.gz XNEUSLQKDUWWEQ-LLVKDONJSA-N 1 1 318.214 3.761 20 30 DHEDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000610004172 1022402671 /nfs/dbraw/zinc/40/26/71/1022402671.db2.gz CQCLQTFANFQWMP-AWEZNQCLSA-N 1 1 310.372 3.695 20 30 DHEDMO Cc1ccc(C(NO)=[NH+]c2ccc(N3CCCCC3)cc2C)nc1 ZINC001169411124 1022404032 /nfs/dbraw/zinc/40/40/32/1022404032.db2.gz GLWJAPLCUXJLFM-UHFFFAOYSA-N 1 1 324.428 3.746 20 30 DHEDMO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000615447501 1022479429 /nfs/dbraw/zinc/47/94/29/1022479429.db2.gz KTDHFULXGBLIJV-SWLSCSKDSA-N 1 1 312.335 3.663 20 30 DHEDMO C=C1CC(c2noc([C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)n2)C1 ZINC000924122268 1022579313 /nfs/dbraw/zinc/57/93/13/1022579313.db2.gz APHPOOQNPFSCSC-YOEHRIQHSA-N 1 1 309.413 3.739 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766944355 1022615234 /nfs/dbraw/zinc/61/52/34/1022615234.db2.gz DUUKFGAJJDXDCK-ROUUACIJSA-N 1 1 307.482 3.669 20 30 DHEDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000616135539 1022644580 /nfs/dbraw/zinc/64/45/80/1022644580.db2.gz XWFOJRRGNNADAX-HXUWFJFHSA-N 1 1 314.473 3.861 20 30 DHEDMO C[C@H]1CC(N=Nc2ccc(F)cn2)C[N@@H+](Cc2ccccc2)C1 ZINC000767378779 1022691578 /nfs/dbraw/zinc/69/15/78/1022691578.db2.gz RGFQWGITJIWWAZ-AWEZNQCLSA-N 1 1 312.392 3.531 20 30 DHEDMO Cc1ccc(N=NC2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)nc1 ZINC000767376517 1022701700 /nfs/dbraw/zinc/70/17/00/1022701700.db2.gz DNCFUBGKEBMQIT-MRXNPFEDSA-N 1 1 308.429 3.700 20 30 DHEDMO COc1ccc2c(c1)CC[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172308833 1033079282 /nfs/dbraw/zinc/07/92/82/1033079282.db2.gz NQIGJDUZGJSPRI-OAHLLOKOSA-N 1 1 306.409 3.556 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001172312279 1033080022 /nfs/dbraw/zinc/08/00/22/1033080022.db2.gz GCBOMOHENOZOLU-FOIQADDNSA-N 1 1 324.399 3.782 20 30 DHEDMO COc1cccc2c1CC[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172312930 1033081417 /nfs/dbraw/zinc/08/14/17/1033081417.db2.gz MFNQMRXGAREGAM-HNNXBMFYSA-N 1 1 306.409 3.556 20 30 DHEDMO C=C[C@H](CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000616998459 1022810343 /nfs/dbraw/zinc/81/03/43/1022810343.db2.gz OIDNHDIJCWRPQC-IAGOWNOFSA-N 1 1 314.473 3.583 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000538501846 1033082616 /nfs/dbraw/zinc/08/26/16/1033082616.db2.gz IZGYIZPHWIGCIL-CJNGLKHVSA-N 1 1 323.868 3.597 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767874149 1022830844 /nfs/dbraw/zinc/83/08/44/1022830844.db2.gz GEIOOBSDLVVMSG-GOEBONIOSA-N 1 1 313.363 3.822 20 30 DHEDMO Cc1[nH+]ccn1CCSCc1cc(Cl)ccc1OCC#N ZINC000767946763 1022849840 /nfs/dbraw/zinc/84/98/40/1022849840.db2.gz DNICIHNFXTYUMR-UHFFFAOYSA-N 1 1 321.833 3.681 20 30 DHEDMO C[C@@H](NCC[N@@H+](C)C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000538508236 1033086026 /nfs/dbraw/zinc/08/60/26/1033086026.db2.gz DDESYYUPTDLMGM-CQSZACIVSA-N 1 1 303.425 3.612 20 30 DHEDMO C[C@@H]([NH2+]CCN(C)C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000538508236 1033086040 /nfs/dbraw/zinc/08/60/40/1033086040.db2.gz DDESYYUPTDLMGM-CQSZACIVSA-N 1 1 303.425 3.612 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cccnc1C#N ZINC000566535474 1022906830 /nfs/dbraw/zinc/90/68/30/1022906830.db2.gz ZABLFXZAAPYJTG-MRXNPFEDSA-N 1 1 320.440 3.940 20 30 DHEDMO C=CC[N@H+](CCc1c(C)noc1C)Cc1ccc(OC)cc1 ZINC000164926694 1022965881 /nfs/dbraw/zinc/96/58/81/1022965881.db2.gz KRYAMDWWJXNFPU-UHFFFAOYSA-N 1 1 300.402 3.531 20 30 DHEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CCC1 ZINC000418136503 1022970569 /nfs/dbraw/zinc/97/05/69/1022970569.db2.gz CGTDDORIFUYKDI-UHFFFAOYSA-N 1 1 300.793 3.514 20 30 DHEDMO CCCC[NH+](CCCC)CCN[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172294710 1033098602 /nfs/dbraw/zinc/09/86/02/1033098602.db2.gz KKFWMBVTBMJPLT-SFHVURJKSA-N 1 1 315.505 3.981 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ncc(C#N)c2ccccc21 ZINC001167750619 1023019353 /nfs/dbraw/zinc/01/93/53/1023019353.db2.gz ARPVTALLLCVIRH-OAHLLOKOSA-N 1 1 308.429 3.783 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)o1 ZINC000768791978 1023030010 /nfs/dbraw/zinc/03/00/10/1023030010.db2.gz JCHQPPPXRPSKQQ-AWEZNQCLSA-N 1 1 316.788 3.848 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCOc3ccccc3[C@@H]2C)cc1 ZINC000768928571 1023057082 /nfs/dbraw/zinc/05/70/82/1023057082.db2.gz BIILVCDYJOIVOK-CVEARBPZSA-N 1 1 322.408 3.933 20 30 DHEDMO C#CCCOc1ccc(C[N@H+](C)C2Cc3ccccc3C2)cc1 ZINC000769031998 1023070475 /nfs/dbraw/zinc/07/04/75/1023070475.db2.gz AAMDWHQMQXCTKZ-UHFFFAOYSA-N 1 1 305.421 3.688 20 30 DHEDMO C#CC[N@@H+](CC)Cc1cc2ccccc2nc1N1CCCCC1 ZINC000769111494 1023086703 /nfs/dbraw/zinc/08/67/03/1023086703.db2.gz PJWPFKRPAXUGGH-UHFFFAOYSA-N 1 1 307.441 3.680 20 30 DHEDMO C#CC[N@H+](CC)Cc1cc2ccccc2nc1N1CCCCC1 ZINC000769111494 1023086713 /nfs/dbraw/zinc/08/67/13/1023086713.db2.gz PJWPFKRPAXUGGH-UHFFFAOYSA-N 1 1 307.441 3.680 20 30 DHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172372493 1033107358 /nfs/dbraw/zinc/10/73/58/1033107358.db2.gz IOAHPNSHQOHDKM-LASHMREHSA-N 1 1 321.505 3.885 20 30 DHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172378926 1033114489 /nfs/dbraw/zinc/11/44/89/1033114489.db2.gz QIBLUGUJVACGKY-MTHXSQLBSA-N 1 1 307.478 3.637 20 30 DHEDMO C=CC[C@@H]1[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1(C)C ZINC000769954497 1023244845 /nfs/dbraw/zinc/24/48/45/1023244845.db2.gz UBHPVNDIQLRLID-SJORKVTESA-N 1 1 318.417 3.695 20 30 DHEDMO CCC1(CC)[C@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)C[C@@H]1OC ZINC001167765697 1023269653 /nfs/dbraw/zinc/26/96/53/1023269653.db2.gz HDFLJDDZPCXFLV-MSOLQXFVSA-N 1 1 300.446 3.892 20 30 DHEDMO COc1ccc(C[NH+]2Cc3ccccc3C2)cc1OCCCC#N ZINC000119971138 1023303981 /nfs/dbraw/zinc/30/39/81/1023303981.db2.gz ZCAHCOWEPSCGFI-UHFFFAOYSA-N 1 1 322.408 3.894 20 30 DHEDMO C=C(Cl)C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000859402142 1033136881 /nfs/dbraw/zinc/13/68/81/1033136881.db2.gz OLDYWKUXRRKTLO-UHFFFAOYSA-N 1 1 309.841 3.734 20 30 DHEDMO C=CC[N@H+](Cc1nc(-c2ccsc2)oc1C)[C@@H](C)COC ZINC000661243340 1023537249 /nfs/dbraw/zinc/53/72/49/1023537249.db2.gz JMVYGKVLFLMIHG-LBPRGKRZSA-N 1 1 306.431 3.734 20 30 DHEDMO C=CC[N@@H+](Cc1nc(-c2ccsc2)oc1C)[C@@H](C)COC ZINC000661243340 1023537257 /nfs/dbraw/zinc/53/72/57/1023537257.db2.gz JMVYGKVLFLMIHG-LBPRGKRZSA-N 1 1 306.431 3.734 20 30 DHEDMO C=CC[N@H+](Cc1nc(-c2ccccc2)cs1)[C@@H](C)COC ZINC000661240262 1023537501 /nfs/dbraw/zinc/53/75/01/1023537501.db2.gz MGUHCSWTLJDWEW-AWEZNQCLSA-N 1 1 302.443 3.833 20 30 DHEDMO C=CC[N@@H+](Cc1nc(-c2ccccc2)cs1)[C@@H](C)COC ZINC000661240262 1023537510 /nfs/dbraw/zinc/53/75/10/1023537510.db2.gz MGUHCSWTLJDWEW-AWEZNQCLSA-N 1 1 302.443 3.833 20 30 DHEDMO C=C(Cl)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000772577251 1023566828 /nfs/dbraw/zinc/56/68/28/1023566828.db2.gz HVCDVEPETLUQFO-UHFFFAOYSA-N 1 1 307.800 3.833 20 30 DHEDMO C#CC[N@H+](Cc1cccc(OCC)c1O)[C@H]1CCc2ccccc21 ZINC000772600091 1023576804 /nfs/dbraw/zinc/57/68/04/1023576804.db2.gz SYJPRZSTLGUTRN-IBGZPJMESA-N 1 1 321.420 3.914 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc([C@H](C)OCC(C)C)no2)C1 ZINC000661380752 1023581226 /nfs/dbraw/zinc/58/12/26/1023581226.db2.gz OYWPKRVIQADGGM-GJZGRUSLSA-N 1 1 307.438 3.591 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2nc([C@H](C)OCC(C)C)no2)C1 ZINC000661380752 1023581234 /nfs/dbraw/zinc/58/12/34/1023581234.db2.gz OYWPKRVIQADGGM-GJZGRUSLSA-N 1 1 307.438 3.591 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000661379025 1023582888 /nfs/dbraw/zinc/58/28/88/1023582888.db2.gz QVXZCVTVVGZODK-IAGOWNOFSA-N 1 1 300.446 3.919 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000661379026 1023583296 /nfs/dbraw/zinc/58/32/96/1023583296.db2.gz QVXZCVTVVGZODK-IRXDYDNUSA-N 1 1 300.446 3.919 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000661379172 1023585059 /nfs/dbraw/zinc/58/50/59/1023585059.db2.gz VIZAGCQFQMZKHV-CQSZACIVSA-N 1 1 306.837 3.957 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000661386807 1023587164 /nfs/dbraw/zinc/58/71/64/1023587164.db2.gz UXQAJRKHUGTOAB-ZDUSSCGKSA-N 1 1 301.365 3.664 20 30 DHEDMO C=CCCCCC[N@@H+]1CCn2c(CCc3ccccc3)nnc2C1 ZINC000785754488 1023613625 /nfs/dbraw/zinc/61/36/25/1023613625.db2.gz CKXVSPODTRXXJF-UHFFFAOYSA-N 1 1 324.472 3.625 20 30 DHEDMO C=CCCCCC[N@H+]1CCn2c(CCc3ccccc3)nnc2C1 ZINC000785754488 1023613628 /nfs/dbraw/zinc/61/36/28/1023613628.db2.gz CKXVSPODTRXXJF-UHFFFAOYSA-N 1 1 324.472 3.625 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000093383745 1023694878 /nfs/dbraw/zinc/69/48/78/1023694878.db2.gz RWZWZVIOJJOWEI-CQSZACIVSA-N 1 1 310.372 3.675 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000093383745 1023694880 /nfs/dbraw/zinc/69/48/80/1023694880.db2.gz RWZWZVIOJJOWEI-CQSZACIVSA-N 1 1 310.372 3.675 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)C(C)(C)C ZINC000661755800 1023730551 /nfs/dbraw/zinc/73/05/51/1023730551.db2.gz ZBDDITUKPJDNOK-UHFFFAOYSA-N 1 1 324.852 3.964 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1C ZINC000746673395 1023784536 /nfs/dbraw/zinc/78/45/36/1023784536.db2.gz LSERZOJSPSYPTN-GOSISDBHSA-N 1 1 306.425 3.819 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1C ZINC000746673395 1023784539 /nfs/dbraw/zinc/78/45/39/1023784539.db2.gz LSERZOJSPSYPTN-GOSISDBHSA-N 1 1 306.425 3.819 20 30 DHEDMO Clc1ccccc1C#CC[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661864059 1023784688 /nfs/dbraw/zinc/78/46/88/1023784688.db2.gz MPAJPOZDBZGXRH-LJQANCHMSA-N 1 1 317.860 3.973 20 30 DHEDMO C#Cc1ccc(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000787779295 1023821220 /nfs/dbraw/zinc/82/12/20/1023821220.db2.gz XRHCCQQNFRTIDL-MRXNPFEDSA-N 1 1 310.466 3.608 20 30 DHEDMO C#Cc1ccc(C[NH+]2CCN([C@H](C)c3ccsc3)CC2)cc1 ZINC000787779295 1023821228 /nfs/dbraw/zinc/82/12/28/1023821228.db2.gz XRHCCQQNFRTIDL-MRXNPFEDSA-N 1 1 310.466 3.608 20 30 DHEDMO C=CCOCc1nn(C)c2c1C[N@@H+]([C@H](C)CCCC(C)C)CC2 ZINC001170079658 1023830407 /nfs/dbraw/zinc/83/04/07/1023830407.db2.gz FYBVJXHBFWWPAI-MRXNPFEDSA-N 1 1 319.493 3.696 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1Cl ZINC000538749417 1033167271 /nfs/dbraw/zinc/16/72/71/1033167271.db2.gz LVRGRWVDDKKELV-CVEARBPZSA-N 1 1 321.848 3.763 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000662078243 1023889156 /nfs/dbraw/zinc/88/91/56/1023889156.db2.gz AEOCISGPELNDEW-IHETXDGRSA-N 1 1 316.420 3.574 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000662080259 1023889711 /nfs/dbraw/zinc/88/97/11/1023889711.db2.gz OHIYWUBZNTWFAC-TVFCKZIOSA-N 1 1 312.457 3.744 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000662084880 1023890912 /nfs/dbraw/zinc/89/09/12/1023890912.db2.gz ABNGMUMYQRMPJB-XHSDSOJGSA-N 1 1 317.433 3.663 20 30 DHEDMO CC[N@H+](Cc1cnc(Cl)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000788478361 1023891225 /nfs/dbraw/zinc/89/12/25/1023891225.db2.gz IFNPTDAUBBTOFO-LBPRGKRZSA-N 1 1 300.793 3.585 20 30 DHEDMO CC[N@@H+](Cc1cnc(Cl)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000788478361 1023891230 /nfs/dbraw/zinc/89/12/30/1023891230.db2.gz IFNPTDAUBBTOFO-LBPRGKRZSA-N 1 1 300.793 3.585 20 30 DHEDMO C#CCn1ccc(CN(CC)c2cc(C)c3ccc(C)cc3[nH+]2)n1 ZINC000788565436 1023907752 /nfs/dbraw/zinc/90/77/52/1023907752.db2.gz IZDBUMBAABKBMZ-UHFFFAOYSA-N 1 1 318.424 3.708 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+](C)CCc1ncc(C)s1 ZINC000093807226 1023924954 /nfs/dbraw/zinc/92/49/54/1023924954.db2.gz VYHYQYMRKBKZFY-UHFFFAOYSA-N 1 1 302.443 3.691 20 30 DHEDMO C=CCC1(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)CCCCC1 ZINC000452119855 1023971768 /nfs/dbraw/zinc/97/17/68/1023971768.db2.gz HTEIFLCDNFBNPB-RCCFBDPRSA-N 1 1 318.505 3.702 20 30 DHEDMO CC(=NNc1cc[nH+]cc1)c1ccc(OC(C)C)c(Cl)c1 ZINC000789036626 1023978261 /nfs/dbraw/zinc/97/82/61/1023978261.db2.gz ICLBGXLDTOXLRJ-UHFFFAOYSA-N 1 1 303.793 3.780 20 30 DHEDMO C[N@@H+](CCCC(C)(C)C#N)C1CCN(CCC(F)(F)F)CC1 ZINC000452114208 1023978655 /nfs/dbraw/zinc/97/86/55/1023978655.db2.gz JKCQZEJHHVFHMI-UHFFFAOYSA-N 1 1 319.415 3.665 20 30 DHEDMO C=CCOc1ccccc1C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000125733169 1023990869 /nfs/dbraw/zinc/99/08/69/1023990869.db2.gz QGDQNDKLJZJLKP-UHFFFAOYSA-N 1 1 302.805 3.932 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000125733169 1023990883 /nfs/dbraw/zinc/99/08/83/1023990883.db2.gz QGDQNDKLJZJLKP-UHFFFAOYSA-N 1 1 302.805 3.932 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1C ZINC000267173829 1024050643 /nfs/dbraw/zinc/05/06/43/1024050643.db2.gz ALPDOTJYRYBYIU-GOSISDBHSA-N 1 1 311.429 3.639 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1C ZINC000267173829 1024050661 /nfs/dbraw/zinc/05/06/61/1024050661.db2.gz ALPDOTJYRYBYIU-GOSISDBHSA-N 1 1 311.429 3.639 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000268586107 1024129796 /nfs/dbraw/zinc/12/97/96/1024129796.db2.gz DQWJWOSAOFYKTM-OALUTQOASA-N 1 1 310.372 3.568 20 30 DHEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268572277 1024130081 /nfs/dbraw/zinc/13/00/81/1024130081.db2.gz AYQIKPKFTUTRJX-PMACEKPBSA-N 1 1 306.409 3.737 20 30 DHEDMO CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000268637928 1024134671 /nfs/dbraw/zinc/13/46/71/1024134671.db2.gz CWUVCBYDMYBPQV-FOIQADDNSA-N 1 1 324.424 3.683 20 30 DHEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268637193 1024135075 /nfs/dbraw/zinc/13/50/75/1024135075.db2.gz RKRHTBMVIFXOMM-KPZWWZAWSA-N 1 1 316.351 3.563 20 30 DHEDMO C=C(C)CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000452716107 1024173354 /nfs/dbraw/zinc/17/33/54/1024173354.db2.gz GPJOHBGLRJXDEW-MRXNPFEDSA-N 1 1 315.461 3.576 20 30 DHEDMO CC[N@H+](CC(=O)c1cc(C)n(C)c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000531493326 1024177880 /nfs/dbraw/zinc/17/78/80/1024177880.db2.gz HHXMFGCSGCBMGU-OAHLLOKOSA-N 1 1 323.440 3.779 20 30 DHEDMO CC[N@@H+](CC(=O)c1cc(C)n(C)c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000531493326 1024177887 /nfs/dbraw/zinc/17/78/87/1024177887.db2.gz HHXMFGCSGCBMGU-OAHLLOKOSA-N 1 1 323.440 3.779 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H]2[C@H](C)CCC)c1=S ZINC000130759450 1024212162 /nfs/dbraw/zinc/21/21/62/1024212162.db2.gz HLBIOGAFEWHGIC-UKRRQHHQSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H]2[C@H](C)CCC)c1=S ZINC000130759450 1024212177 /nfs/dbraw/zinc/21/21/77/1024212177.db2.gz HLBIOGAFEWHGIC-UKRRQHHQSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CC[C@H](C)C3)C2)CC1 ZINC001170132608 1024266753 /nfs/dbraw/zinc/26/67/53/1024266753.db2.gz NYADFPJBNBJBMH-IRXDYDNUSA-N 1 1 320.477 3.676 20 30 DHEDMO CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1c2ccccc2CC[C@H]1F ZINC000883381466 1024413689 /nfs/dbraw/zinc/41/36/89/1024413689.db2.gz NMWWJPOBNRAMIW-QUCCMNQESA-N 1 1 323.415 3.739 20 30 DHEDMO C=CCCCC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172991132 1033502654 /nfs/dbraw/zinc/50/26/54/1033502654.db2.gz UPWFWIKSSUSBAN-CVEARBPZSA-N 1 1 321.465 3.566 20 30 DHEDMO C#CCCC[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000271072577 1024452006 /nfs/dbraw/zinc/45/20/06/1024452006.db2.gz WBQDYGJMALTYQQ-UHFFFAOYSA-N 1 1 313.228 3.667 20 30 DHEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000791577682 1024519293 /nfs/dbraw/zinc/51/92/93/1024519293.db2.gz COWJLPWPHJRUJO-IUODEOHRSA-N 1 1 312.335 3.600 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1cccc(C#N)c1 ZINC000181985811 1024529582 /nfs/dbraw/zinc/52/95/82/1024529582.db2.gz BLEXGEHYFVVBJU-CQSZACIVSA-N 1 1 320.371 3.734 20 30 DHEDMO CC(C)CCC(N)=[NH+]OCc1nnc(-c2cccc(Cl)c2)o1 ZINC000106436419 1024534756 /nfs/dbraw/zinc/53/47/56/1024534756.db2.gz PMVFGVSIGQAWHQ-UHFFFAOYSA-N 1 1 322.796 3.615 20 30 DHEDMO C=CC[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C1CC1 ZINC000271547482 1024537361 /nfs/dbraw/zinc/53/73/61/1024537361.db2.gz ZTTVMFCXEROSLJ-UHFFFAOYSA-N 1 1 303.793 3.583 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000102681368 1024538378 /nfs/dbraw/zinc/53/83/78/1024538378.db2.gz HZHHVASUFNBSGC-GFCCVEGCSA-N 1 1 316.361 3.604 20 30 DHEDMO Cc1cccnc1[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)C(C)C ZINC000877043877 1033217842 /nfs/dbraw/zinc/21/78/42/1033217842.db2.gz QQRYPCWJXLSSHU-HNNXBMFYSA-N 1 1 314.820 3.797 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)CCc1ccc2c(c1)OCO2 ZINC000931757985 1024551855 /nfs/dbraw/zinc/55/18/55/1024551855.db2.gz CIRYZIROHZTUKG-UHFFFAOYSA-N 1 1 314.429 3.754 20 30 DHEDMO C[N@@H+](Cc1ccc(Br)c(F)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000339126669 1024570824 /nfs/dbraw/zinc/57/08/24/1024570824.db2.gz SVVGVJHLGDYZQQ-PWSUYJOCSA-N 1 1 311.198 3.712 20 30 DHEDMO CCCC#CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](CC)CCCC)C[C@H]21 ZINC001274653656 1024611114 /nfs/dbraw/zinc/61/11/14/1024611114.db2.gz DADRJZAMPXZOFE-GBESFXJTSA-N 1 1 318.505 3.539 20 30 DHEDMO COC(=O)CCC[N@@H+](Cc1ccccc1)[C@H](C)CCCC#N ZINC001172492499 1033225099 /nfs/dbraw/zinc/22/50/99/1033225099.db2.gz MHAOSGAYYNIOTL-MRXNPFEDSA-N 1 1 302.418 3.524 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001172495735 1033225495 /nfs/dbraw/zinc/22/54/95/1033225495.db2.gz HCOPDSFIPCXSIX-MAUKXSAKSA-N 1 1 321.465 3.544 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCc2cccc(Br)c2C1 ZINC001172495570 1033225775 /nfs/dbraw/zinc/22/57/75/1033225775.db2.gz FUGAHEWYUIQYBD-LBPRGKRZSA-N 1 1 307.235 3.890 20 30 DHEDMO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@@H](C)CCCC#N)C1 ZINC001172500036 1033227734 /nfs/dbraw/zinc/22/77/34/1033227734.db2.gz IZSXSPHADYVHJT-AWEZNQCLSA-N 1 1 311.429 3.627 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCO[C@](C)(c2ccc(Cl)cc2)C1 ZINC001172500363 1033228022 /nfs/dbraw/zinc/22/80/22/1033228022.db2.gz MYXFKDXVPAWVMQ-PBHICJAKSA-N 1 1 306.837 3.970 20 30 DHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC001170183828 1024684622 /nfs/dbraw/zinc/68/46/22/1024684622.db2.gz IQCGYQZPZHCHCT-IEBWSBKVSA-N 1 1 314.473 3.555 20 30 DHEDMO C#C[C@@H](CC)Nc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000792569868 1024693340 /nfs/dbraw/zinc/69/33/40/1024693340.db2.gz YZHPRDJCRREFMT-AWEZNQCLSA-N 1 1 308.385 3.513 20 30 DHEDMO C[C@@H](CCCC#N)[N@@H+](C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001172497547 1033229071 /nfs/dbraw/zinc/22/90/71/1033229071.db2.gz CNZJLFJAEGFGQB-BJLQDIEVSA-N 1 1 313.489 3.911 20 30 DHEDMO CCCCCCC[C@@H](CCC)n1cncc1C[C@H]([NH3+])C(=O)OC ZINC001172500619 1033230595 /nfs/dbraw/zinc/23/05/95/1033230595.db2.gz BFYNABRMPYWODH-WBVHZDCISA-N 1 1 323.481 3.628 20 30 DHEDMO CCCCCCCC[C@H](CC)[N@H+]1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001172505402 1033234210 /nfs/dbraw/zinc/23/42/10/1033234210.db2.gz MNVADTSJQTVASQ-YDZRNGNQSA-N 1 1 311.510 3.987 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001170332114 1024747077 /nfs/dbraw/zinc/74/70/77/1024747077.db2.gz CWADIYNZTJQEKQ-SJORKVTESA-N 1 1 322.493 3.922 20 30 DHEDMO N#CC1(c2ccccc2)CCC(N2CC[NH+](C3CCC3)CC2)CC1 ZINC001170378742 1024765075 /nfs/dbraw/zinc/76/50/75/1024765075.db2.gz JWBSOZQPMMPOCZ-UHFFFAOYSA-N 1 1 323.484 3.561 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@H]3OCCC[C@H]3C2)CC1 ZINC001170378763 1024765146 /nfs/dbraw/zinc/76/51/46/1024765146.db2.gz KNJYLFBOFKTCHW-AFVILVPDSA-N 1 1 324.468 3.891 20 30 DHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001172511533 1033237402 /nfs/dbraw/zinc/23/74/02/1033237402.db2.gz SIZDAWQBNQIGSY-RTBURBONSA-N 1 1 310.526 3.922 20 30 DHEDMO CC1CCC([N@@H+](Cc2cnc3ccc(C#N)cn23)C2CC2)CC1 ZINC000349945427 1024773011 /nfs/dbraw/zinc/77/30/11/1024773011.db2.gz ODTDBCXDUBSIDJ-UHFFFAOYSA-N 1 1 308.429 3.749 20 30 DHEDMO CCCCCCC[C@H](CCC)[NH2+]C1(C(=O)OC)CCOCC1 ZINC001172508754 1033238651 /nfs/dbraw/zinc/23/86/51/1033238651.db2.gz NZMJJAWVABBRJY-INIZCTEOSA-N 1 1 313.482 3.827 20 30 DHEDMO CC[C@H]1CCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000350060146 1024785822 /nfs/dbraw/zinc/78/58/22/1024785822.db2.gz OZXKBGWKJLFMIP-HNNXBMFYSA-N 1 1 309.413 3.612 20 30 DHEDMO CC(C)[C@@H]1CCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000350112751 1024791235 /nfs/dbraw/zinc/79/12/35/1024791235.db2.gz FWWDYXAVWUJEKT-SFHVURJKSA-N 1 1 323.440 3.858 20 30 DHEDMO N#CCC[N@H+](CCC1CCOCC1)Cc1ccc(Cl)cc1 ZINC001202664259 1024792803 /nfs/dbraw/zinc/79/28/03/1024792803.db2.gz IVQVHWNSKMTWQF-UHFFFAOYSA-N 1 1 306.837 3.872 20 30 DHEDMO N#CCC[N@@H+](CCC1CCOCC1)Cc1ccc(Cl)cc1 ZINC001202664259 1024792816 /nfs/dbraw/zinc/79/28/16/1024792816.db2.gz IVQVHWNSKMTWQF-UHFFFAOYSA-N 1 1 306.837 3.872 20 30 DHEDMO C=C(C)C[N@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1ccccc1 ZINC000279213890 1024793815 /nfs/dbraw/zinc/79/38/15/1024793815.db2.gz CDMUYFZIXQLMPW-UHFFFAOYSA-N 1 1 322.412 3.653 20 30 DHEDMO COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@H](C)CCCC#N)cc1 ZINC001172506465 1033234712 /nfs/dbraw/zinc/23/47/12/1033234712.db2.gz UKIVIXPFJOKIEB-PBHICJAKSA-N 1 1 300.402 3.692 20 30 DHEDMO CCCCCCCC[C@H](CC)[N@H+]1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001172505400 1033235623 /nfs/dbraw/zinc/23/56/23/1033235623.db2.gz MNVADTSJQTVASQ-FCGDIQPGSA-N 1 1 311.510 3.987 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCCC2(CN(Cc3ccccc3)C2)C1 ZINC001172509843 1033237070 /nfs/dbraw/zinc/23/70/70/1033237070.db2.gz RPJBZWKTMXJBFL-SFHVURJKSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931916837 1024864248 /nfs/dbraw/zinc/86/42/48/1024864248.db2.gz WSRIKQDJMAWALO-RISCZKNCSA-N 1 1 312.310 3.986 20 30 DHEDMO C#CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](CC)CCCC ZINC001274982037 1024884798 /nfs/dbraw/zinc/88/47/98/1024884798.db2.gz FBHOBTTWZWPFFI-KURKYZTESA-N 1 1 318.505 3.537 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000117870864 1024903556 /nfs/dbraw/zinc/90/35/56/1024903556.db2.gz HLGIRFDUQBGDES-UHFFFAOYSA-N 1 1 300.324 3.542 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@H+](C[C@H](C)CCC)CC2)C1=O ZINC001275082009 1024905106 /nfs/dbraw/zinc/90/51/06/1024905106.db2.gz KRQHCNASECTFLP-IEBWSBKVSA-N 1 1 306.494 3.703 20 30 DHEDMO CCCC[C@@H](CC)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001275081022 1024905406 /nfs/dbraw/zinc/90/54/06/1024905406.db2.gz DQNOYFKNRCNVDL-KZNAEPCWSA-N 1 1 319.493 3.572 20 30 DHEDMO CCCC[C@@H](CC)C[N@H+]1CCC[C@]12CCN(CCCC#N)C2=O ZINC001275081012 1024907048 /nfs/dbraw/zinc/90/70/48/1024907048.db2.gz DPODHWHIRNMXPN-IEBWSBKVSA-N 1 1 319.493 3.573 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@]12CCN(CC(F)(F)F)C2=O ZINC001275111930 1024918165 /nfs/dbraw/zinc/91/81/65/1024918165.db2.gz TWENSYGEXDYGFW-OAHLLOKOSA-N 1 1 320.399 3.586 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@@]2(CC(=O)N([C@@H](C)CC)C2=O)C1 ZINC001275112015 1024918392 /nfs/dbraw/zinc/91/83/92/1024918392.db2.gz WHRUWBYTGOLRTE-QFBILLFUSA-N 1 1 322.493 3.596 20 30 DHEDMO C[C@H](c1cccs1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000054428985 1025046135 /nfs/dbraw/zinc/04/61/35/1025046135.db2.gz NNFCTSWYCOYBDA-CYBMUJFWSA-N 1 1 313.426 3.641 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1cc(OC)cc(OC)c1 ZINC000353419184 1025063264 /nfs/dbraw/zinc/06/32/64/1025063264.db2.gz AUIQYLBTOFQXBW-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cc(OC)cc(OC)c1 ZINC000353419184 1025063276 /nfs/dbraw/zinc/06/32/76/1025063276.db2.gz AUIQYLBTOFQXBW-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO C=CCCCCC[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000793551893 1025099284 /nfs/dbraw/zinc/09/92/84/1025099284.db2.gz WFWMHUMDFNORGK-YSIASYRMSA-N 1 1 322.537 3.869 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@H](C)c1cc(C)nn1C)c1ccc(F)c(F)c1 ZINC000793558057 1025103144 /nfs/dbraw/zinc/10/31/44/1025103144.db2.gz QZRZPTXAUTWFJV-SJKOYZFVSA-N 1 1 305.372 3.975 20 30 DHEDMO C=CCCC[N@@H+](C)Cc1cnn(Cc2ccccc2)c1Cl ZINC000793590833 1025116025 /nfs/dbraw/zinc/11/60/25/1025116025.db2.gz NHWJSGPCGZTMIY-UHFFFAOYSA-N 1 1 303.837 3.983 20 30 DHEDMO C=CCCC[N@H+](C)Cc1cnn(Cc2ccccc2)c1Cl ZINC000793590833 1025116030 /nfs/dbraw/zinc/11/60/30/1025116030.db2.gz NHWJSGPCGZTMIY-UHFFFAOYSA-N 1 1 303.837 3.983 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134786255 1025132326 /nfs/dbraw/zinc/13/23/26/1025132326.db2.gz MWWXIDDRBLMSCP-PMACEKPBSA-N 1 1 324.399 3.785 20 30 DHEDMO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1nc(-c2cccc(F)c2)no1 ZINC000893699227 1025138741 /nfs/dbraw/zinc/13/87/41/1025138741.db2.gz IIJVIHRPPSTEDD-NWDGAFQWSA-N 1 1 316.380 3.855 20 30 DHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N(CC)C[C@@H](C)C#N)cc1 ZINC000338054772 1033265515 /nfs/dbraw/zinc/26/55/15/1033265515.db2.gz NHKYTWFLGNCSGN-INIZCTEOSA-N 1 1 315.461 3.540 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@@H+](C)Cc2ccccc2F)c1O ZINC000216157300 1025226330 /nfs/dbraw/zinc/22/63/30/1025226330.db2.gz MOUJFQGWBDFOER-UHFFFAOYSA-N 1 1 315.388 3.900 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@@H](C)CC2(C)C)cc1OCCCC#N ZINC000353918966 1025291967 /nfs/dbraw/zinc/29/19/67/1025291967.db2.gz JSUBHIBNAGHGNX-HNNXBMFYSA-N 1 1 316.445 3.998 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000932079124 1025338732 /nfs/dbraw/zinc/33/87/32/1025338732.db2.gz NYYORSKSJCKHAE-GWCFXTLKSA-N 1 1 300.349 3.599 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000932079124 1025338745 /nfs/dbraw/zinc/33/87/45/1025338745.db2.gz NYYORSKSJCKHAE-GWCFXTLKSA-N 1 1 300.349 3.599 20 30 DHEDMO N#Cc1cccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c1 ZINC000053230128 1025344402 /nfs/dbraw/zinc/34/44/02/1025344402.db2.gz HPJCBHDDFLAMPY-FQEVSTJZSA-N 1 1 324.399 3.879 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)ccc1C#N ZINC000354122121 1025360590 /nfs/dbraw/zinc/36/05/90/1025360590.db2.gz XUPHVJGODDLBLB-MRXNPFEDSA-N 1 1 310.372 3.695 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000015301006 1025373408 /nfs/dbraw/zinc/37/34/08/1025373408.db2.gz UOPJPSIMYAOJCN-SFHVURJKSA-N 1 1 320.392 3.667 20 30 DHEDMO CC(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(C#N)CC1 ZINC000123656836 1025391266 /nfs/dbraw/zinc/39/12/66/1025391266.db2.gz XOJLVBCCOUINTF-UHFFFAOYSA-N 1 1 308.429 3.731 20 30 DHEDMO CC[N@H+](Cc1cccc(Cl)c1)C[C@H](O)CC1(C#N)CCC1 ZINC000885955829 1025416555 /nfs/dbraw/zinc/41/65/55/1025416555.db2.gz BZVPYGKIONIOFM-MRXNPFEDSA-N 1 1 306.837 3.607 20 30 DHEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885961174 1025420075 /nfs/dbraw/zinc/42/00/75/1025420075.db2.gz URJWJEASUKXFPN-CZUORRHYSA-N 1 1 306.837 3.778 20 30 DHEDMO CC[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@@H](C)c1cccc(OC)c1 ZINC000885965352 1025422692 /nfs/dbraw/zinc/42/26/92/1025422692.db2.gz MWCHFQBGPNEQTD-RDJZCZTQSA-N 1 1 316.445 3.523 20 30 DHEDMO C=CCCCCC[N@@H+]1CCC[C@]12CCN(CC=C(C)C)C2=O ZINC001275325356 1025426233 /nfs/dbraw/zinc/42/62/33/1025426233.db2.gz MVCFKORKUXJBJF-LJQANCHMSA-N 1 1 304.478 3.766 20 30 DHEDMO C=CCCCCC[N@@H+]1CCCC[C@]12CC(=O)N(CC(=C)C)C2 ZINC001275328719 1025438197 /nfs/dbraw/zinc/43/81/97/1025438197.db2.gz BGBNPIWRCPKYNY-LJQANCHMSA-N 1 1 304.478 3.766 20 30 DHEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886014676 1025439152 /nfs/dbraw/zinc/43/91/52/1025439152.db2.gz NERIYRYFCACWDY-PBHICJAKSA-N 1 1 320.864 3.648 20 30 DHEDMO C=CC[N@H+](CCCn1ccnc1C)Cc1ccc(Cl)s1 ZINC000124712165 1025439893 /nfs/dbraw/zinc/43/98/93/1025439893.db2.gz NRVBXRZTPLHYJK-UHFFFAOYSA-N 1 1 309.866 3.985 20 30 DHEDMO C=CCCCCCC[N@H+]1CC[C@]2(CCN(C3CCCC3)C2=O)C1 ZINC001275329475 1025440628 /nfs/dbraw/zinc/44/06/28/1025440628.db2.gz XKMSPCDUFZVEOM-FQEVSTJZSA-N 1 1 318.505 3.990 20 30 DHEDMO C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC[C@H]1c1ccccc1 ZINC000886020481 1025441350 /nfs/dbraw/zinc/44/13/50/1025441350.db2.gz AQJQSHSHEDHDHX-BHIYHBOVSA-N 1 1 312.457 3.557 20 30 DHEDMO C=CCCCCCCC[N@H+]1CC[C@@]2(CCN(CC=C)C2=O)C1 ZINC001275331175 1025443137 /nfs/dbraw/zinc/44/31/37/1025443137.db2.gz RRYOEUKQLOAVJC-LJQANCHMSA-N 1 1 304.478 3.623 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)CCC1 ZINC000886052448 1025454640 /nfs/dbraw/zinc/45/46/40/1025454640.db2.gz QSXRCJMSLLSONY-IEBWSBKVSA-N 1 1 310.441 3.583 20 30 DHEDMO CC[N@@H+](CCC1CCN(c2ccc(C#N)nc2)CC1)CC(C)C ZINC000539109862 1033284142 /nfs/dbraw/zinc/28/41/42/1033284142.db2.gz VWVBDNZTXACCTR-UHFFFAOYSA-N 1 1 314.477 3.538 20 30 DHEDMO COc1ccc2c(c1)C[C@@H]([N@@H+](CCC#N)Cc1ccccc1)C2 ZINC001168258663 1025467081 /nfs/dbraw/zinc/46/70/81/1025467081.db2.gz CKFKNVSAVKDHGF-IBGZPJMESA-N 1 1 306.409 3.578 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)C[C@@H]2CC=CCC2)cc(OC)c1O ZINC000558327480 1025491367 /nfs/dbraw/zinc/49/13/67/1025491367.db2.gz FLHQCHVDJDDJJV-OAHLLOKOSA-N 1 1 301.430 3.917 20 30 DHEDMO C=C(C)CC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000860048212 1033287764 /nfs/dbraw/zinc/28/77/64/1033287764.db2.gz RTJAIYPSXSNVQV-HUUCEWRRSA-N 1 1 310.235 3.523 20 30 DHEDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](C[C@H](O)CC3(C#N)CCC3)C2)c1 ZINC000886125189 1025517854 /nfs/dbraw/zinc/51/78/54/1025517854.db2.gz KWGBMXNLZXCCON-IEBWSBKVSA-N 1 1 312.457 3.538 20 30 DHEDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@@H](O)CC3(C#N)CCC3)C2)cc1 ZINC000886176730 1025548781 /nfs/dbraw/zinc/54/87/81/1025548781.db2.gz KBMQCUKRVFMXEN-QRQLOZEOSA-N 1 1 312.457 3.618 20 30 DHEDMO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1cscc1Cl ZINC000886197569 1025554932 /nfs/dbraw/zinc/55/49/32/1025554932.db2.gz CZLZWPVQXHAMJI-UHFFFAOYSA-N 1 1 305.834 3.629 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CCC1 ZINC000886201592 1025557238 /nfs/dbraw/zinc/55/72/38/1025557238.db2.gz JQKZFODVRVKMRV-MTQWCTHYSA-N 1 1 324.468 3.699 20 30 DHEDMO C[C@H](CSc1ccccc1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886267295 1025574836 /nfs/dbraw/zinc/57/48/36/1025574836.db2.gz JXVZFEIYWXRXTR-HZPDHXFCSA-N 1 1 318.486 3.544 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000886353189 1025599492 /nfs/dbraw/zinc/59/94/92/1025599492.db2.gz DCLLZDPSUKAEDT-ZDUSSCGKSA-N 1 1 300.789 3.840 20 30 DHEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000886355280 1025602796 /nfs/dbraw/zinc/60/27/96/1025602796.db2.gz FVEDYSIEOVCLIR-STQMWFEESA-N 1 1 315.804 3.796 20 30 DHEDMO C#CC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000886360307 1025604016 /nfs/dbraw/zinc/60/40/16/1025604016.db2.gz UEDINUJWZHQFMH-KRWDZBQOSA-N 1 1 318.420 3.637 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1cnc2onc(C)c2c1 ZINC000894003507 1025647935 /nfs/dbraw/zinc/64/79/35/1025647935.db2.gz MEPGABLMGUTEOD-UHFFFAOYSA-N 1 1 300.406 3.683 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cnc2onc(C)c2c1 ZINC000894003507 1025647943 /nfs/dbraw/zinc/64/79/43/1025647943.db2.gz MEPGABLMGUTEOD-UHFFFAOYSA-N 1 1 300.406 3.683 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805792757 1025673388 /nfs/dbraw/zinc/67/33/88/1025673388.db2.gz DBGVQWMPTRJNQR-SFHVURJKSA-N 1 1 308.466 3.676 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](CN[C@@H](C)c1cncc(F)c1)C(C)C ZINC000152071016 1025717935 /nfs/dbraw/zinc/71/79/35/1025717935.db2.gz ZODXIIJCBCUHRY-MAUKXSAKSA-N 1 1 305.441 3.570 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000355461269 1025729408 /nfs/dbraw/zinc/72/94/08/1025729408.db2.gz XSCXLFFSAZJLBU-WMZOPIPTSA-N 1 1 300.446 3.707 20 30 DHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000072875844 1025766962 /nfs/dbraw/zinc/76/69/62/1025766962.db2.gz QKKASMMHUJIVEY-KGLIPLIRSA-N 1 1 317.458 3.504 20 30 DHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000072875844 1025766975 /nfs/dbraw/zinc/76/69/75/1025766975.db2.gz QKKASMMHUJIVEY-KGLIPLIRSA-N 1 1 317.458 3.504 20 30 DHEDMO Cc1ccncc1C[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000355599154 1025781520 /nfs/dbraw/zinc/78/15/20/1025781520.db2.gz BSRXYPFYJCBPSQ-UHFFFAOYSA-N 1 1 309.413 3.705 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886682749 1025783895 /nfs/dbraw/zinc/78/38/95/1025783895.db2.gz OPHRBDIXJHUTNP-QGZVFWFLSA-N 1 1 320.440 3.657 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000614168965 1025792102 /nfs/dbraw/zinc/79/21/02/1025792102.db2.gz LZLZLXYZSZEQPS-HXUWFJFHSA-N 1 1 312.457 3.880 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000614174257 1025798921 /nfs/dbraw/zinc/79/89/21/1025798921.db2.gz IOHIWFFJPPMCBJ-KRWDZBQOSA-N 1 1 308.429 3.938 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000614174257 1025798933 /nfs/dbraw/zinc/79/89/33/1025798933.db2.gz IOHIWFFJPPMCBJ-KRWDZBQOSA-N 1 1 308.429 3.938 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@]2(C)CCCO)cc1 ZINC000614176846 1025811487 /nfs/dbraw/zinc/81/14/87/1025811487.db2.gz PPOSEZXXFICMOR-IBGZPJMESA-N 1 1 300.446 3.615 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000135176655 1025831975 /nfs/dbraw/zinc/83/19/75/1025831975.db2.gz FCZIWWUASGFCEU-QGZVFWFLSA-N 1 1 308.429 3.521 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCC[C@H](C)C2)c1C#N ZINC000614209995 1025893195 /nfs/dbraw/zinc/89/31/95/1025893195.db2.gz FVBGJURIPWFTGZ-HNNXBMFYSA-N 1 1 308.429 3.674 20 30 DHEDMO CCC[N@H+](CCc1cccc(F)c1)Cc1nc(C#N)cs1 ZINC000356119611 1025954860 /nfs/dbraw/zinc/95/48/60/1025954860.db2.gz BZFZDEUWHLUBNJ-UHFFFAOYSA-N 1 1 303.406 3.609 20 30 DHEDMO CCC[N@@H+](CCc1cccc(F)c1)Cc1nc(C#N)cs1 ZINC000356119611 1025954879 /nfs/dbraw/zinc/95/48/79/1025954879.db2.gz BZFZDEUWHLUBNJ-UHFFFAOYSA-N 1 1 303.406 3.609 20 30 DHEDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2nc(C#N)cs2)C12CCCCC2 ZINC000356126717 1025957976 /nfs/dbraw/zinc/95/79/76/1025957976.db2.gz NNPCXTJDWOZSBR-GJZGRUSLSA-N 1 1 319.474 3.574 20 30 DHEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nc(C#N)cs2)C12CCCCC2 ZINC000356126717 1025957987 /nfs/dbraw/zinc/95/79/87/1025957987.db2.gz NNPCXTJDWOZSBR-GJZGRUSLSA-N 1 1 319.474 3.574 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[N@H+](CCC#N)CC3CC3)cc2)n1 ZINC000081044489 1025974548 /nfs/dbraw/zinc/97/45/48/1025974548.db2.gz OTDGHQPXODCKMB-UHFFFAOYSA-N 1 1 308.429 3.615 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[N@@H+](CCC#N)CC3CC3)cc2)n1 ZINC000081044489 1025974559 /nfs/dbraw/zinc/97/45/59/1025974559.db2.gz OTDGHQPXODCKMB-UHFFFAOYSA-N 1 1 308.429 3.615 20 30 DHEDMO N#CCC[N@@H+](Cc1ccc(OCc2ccccn2)cc1)CC1CC1 ZINC000081044981 1025975685 /nfs/dbraw/zinc/97/56/85/1025975685.db2.gz BVKRHKBDCXMIRO-UHFFFAOYSA-N 1 1 321.424 3.786 20 30 DHEDMO N#CCC[N@H+](Cc1ccc(OCc2ccccn2)cc1)CC1CC1 ZINC000081044981 1025975703 /nfs/dbraw/zinc/97/57/03/1025975703.db2.gz BVKRHKBDCXMIRO-UHFFFAOYSA-N 1 1 321.424 3.786 20 30 DHEDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356399766 1026039768 /nfs/dbraw/zinc/03/97/68/1026039768.db2.gz TUTIYYFNCKAMGZ-OAHLLOKOSA-N 1 1 312.335 3.578 20 30 DHEDMO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000356412074 1026042651 /nfs/dbraw/zinc/04/26/51/1026042651.db2.gz MATYJWZTOJXUKG-BONVTDFDSA-N 1 1 321.833 3.534 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCC[C@H](c3ccc(F)cc3)CC2)n1 ZINC000356433157 1026048729 /nfs/dbraw/zinc/04/87/29/1026048729.db2.gz GMQDOOLVPLZNDV-ZDUSSCGKSA-N 1 1 315.417 3.924 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)n1 ZINC000356433157 1026048748 /nfs/dbraw/zinc/04/87/48/1026048748.db2.gz GMQDOOLVPLZNDV-ZDUSSCGKSA-N 1 1 315.417 3.924 20 30 DHEDMO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000245567249 1026079349 /nfs/dbraw/zinc/07/93/49/1026079349.db2.gz UGPZZUSUEBTOQV-ROUUACIJSA-N 1 1 305.510 3.903 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000245567249 1026079364 /nfs/dbraw/zinc/07/93/64/1026079364.db2.gz UGPZZUSUEBTOQV-ROUUACIJSA-N 1 1 305.510 3.903 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCCSC1 ZINC000433190890 1026082100 /nfs/dbraw/zinc/08/21/00/1026082100.db2.gz XMPLSPOJCPHYBS-HNNXBMFYSA-N 1 1 324.877 3.556 20 30 DHEDMO C=CCCCCCCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000807571779 1026085823 /nfs/dbraw/zinc/08/58/23/1026085823.db2.gz OOHAHKPUXHLEBO-UHFFFAOYSA-N 1 1 321.509 3.783 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1n1ccnc1 ZINC000245607553 1026096614 /nfs/dbraw/zinc/09/66/14/1026096614.db2.gz NNPMJRVJDDGMCZ-QFBILLFUSA-N 1 1 322.456 3.767 20 30 DHEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000532968056 1026153586 /nfs/dbraw/zinc/15/35/86/1026153586.db2.gz QIJMQEGWCSKOFU-MAUKXSAKSA-N 1 1 313.445 3.787 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1C ZINC000245774664 1026209312 /nfs/dbraw/zinc/20/93/12/1026209312.db2.gz SLPBAYXAEILNMN-IAGOWNOFSA-N 1 1 322.456 3.942 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C[C@](C)(CC)CC1=O ZINC000808182677 1026221133 /nfs/dbraw/zinc/22/11/33/1026221133.db2.gz YLAZEGYCPQTBQW-LJQANCHMSA-N 1 1 300.446 3.671 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C[C@](C)(CC)CC1=O ZINC000808182677 1026221147 /nfs/dbraw/zinc/22/11/47/1026221147.db2.gz YLAZEGYCPQTBQW-LJQANCHMSA-N 1 1 300.446 3.671 20 30 DHEDMO C[C@@H](C1CCC1)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000357026906 1026284732 /nfs/dbraw/zinc/28/47/32/1026284732.db2.gz RKIGKRXJLJAINN-HNNXBMFYSA-N 1 1 323.440 3.858 20 30 DHEDMO C[C@@H](C1CCC1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000357044982 1026294794 /nfs/dbraw/zinc/29/47/94/1026294794.db2.gz TVXFDTWKBSJTNK-LBPRGKRZSA-N 1 1 319.836 3.661 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000614402390 1026298412 /nfs/dbraw/zinc/29/84/12/1026298412.db2.gz CKMDXWJKHCHRBB-NRFANRHFSA-N 1 1 320.436 3.700 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000614400917 1026298434 /nfs/dbraw/zinc/29/84/34/1026298434.db2.gz OXISPRJJRVCAQH-IPMKNSEASA-N 1 1 312.457 3.892 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000614403877 1026300618 /nfs/dbraw/zinc/30/06/18/1026300618.db2.gz UZWVSZBSNDORSI-YWZLYKJASA-N 1 1 306.409 3.691 20 30 DHEDMO Cc1ncccc1OC[C@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000419379951 1026311988 /nfs/dbraw/zinc/31/19/88/1026311988.db2.gz BBSPPQYAASOHHL-QGZVFWFLSA-N 1 1 315.461 3.953 20 30 DHEDMO C[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1Cl ZINC000729266699 1026405299 /nfs/dbraw/zinc/40/52/99/1026405299.db2.gz DSGHASXPRADQSU-UHFFFAOYSA-N 1 1 300.789 3.874 20 30 DHEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1Cl ZINC000729266699 1026405307 /nfs/dbraw/zinc/40/53/07/1026405307.db2.gz DSGHASXPRADQSU-UHFFFAOYSA-N 1 1 300.789 3.874 20 30 DHEDMO C=C(Cl)CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000747531797 1026413135 /nfs/dbraw/zinc/41/31/35/1026413135.db2.gz PRKNJAFXKPRJRI-GOSISDBHSA-N 1 1 304.865 3.727 20 30 DHEDMO C#CC[N@H+](CCCc1cnccc1C)[C@H]1CCc2ccccc21 ZINC000809539297 1026546899 /nfs/dbraw/zinc/54/68/99/1026546899.db2.gz PDFMEYUAOHWYCS-NRFANRHFSA-N 1 1 304.437 3.945 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)cc1 ZINC000809560305 1026550530 /nfs/dbraw/zinc/55/05/30/1026550530.db2.gz UEBCMBJWCKAHGN-RTWAWAEBSA-N 1 1 305.421 3.756 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000809592934 1026568137 /nfs/dbraw/zinc/56/81/37/1026568137.db2.gz KOHOMPWOXXIQGZ-ROUUACIJSA-N 1 1 311.450 3.818 20 30 DHEDMO C#Cc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000809624079 1026575090 /nfs/dbraw/zinc/57/50/90/1026575090.db2.gz GEWQIDCPKSKEDS-GCJKJVERSA-N 1 1 318.464 3.668 20 30 DHEDMO C#C[C@H](C)[NH2+]Cc1c(Cl)n(Cc2ccccc2)nc1C(C)C ZINC000809683737 1026593432 /nfs/dbraw/zinc/59/34/32/1026593432.db2.gz MNXLXQXZTNJCHV-AWEZNQCLSA-N 1 1 315.848 3.820 20 30 DHEDMO CCC[N@@H+](CCc1ccccn1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809734287 1026598141 /nfs/dbraw/zinc/59/81/41/1026598141.db2.gz CWVHWKUUHKMUHI-QGZVFWFLSA-N 1 1 323.440 3.827 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(OCOCC)cc1 ZINC000809717524 1026603403 /nfs/dbraw/zinc/60/34/03/1026603403.db2.gz JLFWDPPVZWLPQO-UHFFFAOYSA-N 1 1 309.409 3.695 20 30 DHEDMO CC[N@H+](c1ccc(NCc2nc(C#N)cs2)cc1)C(C)C ZINC000810132134 1026685613 /nfs/dbraw/zinc/68/56/13/1026685613.db2.gz XCKPWQGGMGONEJ-UHFFFAOYSA-N 1 1 300.431 3.862 20 30 DHEDMO C[C@@H](N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000183193707 1026704906 /nfs/dbraw/zinc/70/49/06/1026704906.db2.gz PFYIDFYOESMIAI-GPMSIDNRSA-N 1 1 311.473 3.862 20 30 DHEDMO C[C@@H](N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000183193707 1026704914 /nfs/dbraw/zinc/70/49/14/1026704914.db2.gz PFYIDFYOESMIAI-GPMSIDNRSA-N 1 1 311.473 3.862 20 30 DHEDMO CC(C)n1cc2c(n1)[C@@H]([NH2+][C@@H]1CCc3ccc(C#N)cc31)CCC2 ZINC000810236656 1026726082 /nfs/dbraw/zinc/72/60/82/1026726082.db2.gz KSLZYOMYDVLYTR-MOPGFXCFSA-N 1 1 320.440 3.990 20 30 DHEDMO N#Cc1c(F)ccc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1Cl ZINC000366557150 1026789886 /nfs/dbraw/zinc/78/98/86/1026789886.db2.gz OUETUELRIXWFDO-AWEZNQCLSA-N 1 1 322.811 3.599 20 30 DHEDMO N#Cc1c(F)ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1Cl ZINC000366557150 1026789899 /nfs/dbraw/zinc/78/98/99/1026789899.db2.gz OUETUELRIXWFDO-AWEZNQCLSA-N 1 1 322.811 3.599 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420940579 1026884715 /nfs/dbraw/zinc/88/47/15/1026884715.db2.gz DRDAUGNAHDAZKL-AWEZNQCLSA-N 1 1 312.335 3.601 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1C#N ZINC000420951165 1026889160 /nfs/dbraw/zinc/88/91/60/1026889160.db2.gz QOWWZRKLOJXARP-ZDUSSCGKSA-N 1 1 312.335 3.731 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](CCOc3ccccc3F)CC2)cc1 ZINC000502492896 1026955475 /nfs/dbraw/zinc/95/54/75/1026955475.db2.gz BMTRFOIBDQEQQS-UHFFFAOYSA-N 1 1 322.383 3.865 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)cc1F ZINC000421353534 1026959832 /nfs/dbraw/zinc/95/98/32/1026959832.db2.gz GAITYBIQRLSHSW-UHFFFAOYSA-N 1 1 310.372 3.815 20 30 DHEDMO COc1ccc2c(c1)OC(C)(C)C[N@H+](CC(C)(C)CCC#N)C2 ZINC000421409501 1026986397 /nfs/dbraw/zinc/98/63/97/1026986397.db2.gz MRGLHXCOEWBRHR-UHFFFAOYSA-N 1 1 316.445 3.998 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1 ZINC000811517501 1027018165 /nfs/dbraw/zinc/01/81/65/1027018165.db2.gz UNPMRZZKLPLLKW-LJQANCHMSA-N 1 1 321.811 3.990 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000811512159 1027026713 /nfs/dbraw/zinc/02/67/13/1027026713.db2.gz FGUUCCMAUMDGBH-LBPRGKRZSA-N 1 1 313.775 3.829 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000811512159 1027026716 /nfs/dbraw/zinc/02/67/16/1027026716.db2.gz FGUUCCMAUMDGBH-LBPRGKRZSA-N 1 1 313.775 3.829 20 30 DHEDMO CC(=[NH+]NC[C@@H]1CCSC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000811660987 1027053282 /nfs/dbraw/zinc/05/32/82/1027053282.db2.gz CJGWCTYYYUFTPW-VIFPVBQESA-N 1 1 318.273 3.642 20 30 DHEDMO N#Cc1cccc(SCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000421833777 1027062457 /nfs/dbraw/zinc/06/24/57/1027062457.db2.gz JEWYUSLTUDJMIN-UHFFFAOYSA-N 1 1 324.449 3.683 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1COc1ccccc1 ZINC001170649480 1027135126 /nfs/dbraw/zinc/13/51/26/1027135126.db2.gz DJBARNDEVFUDTK-SFHVURJKSA-N 1 1 322.408 3.610 20 30 DHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)C1 ZINC000362385318 1027176297 /nfs/dbraw/zinc/17/62/97/1027176297.db2.gz XABOCWNTNHNYRG-HZPDHXFCSA-N 1 1 313.470 3.917 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000362433579 1027203992 /nfs/dbraw/zinc/20/39/92/1027203992.db2.gz FTMBJPBLTFKWDR-RDJZCZTQSA-N 1 1 318.461 3.786 20 30 DHEDMO C[C@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000362436815 1027204162 /nfs/dbraw/zinc/20/41/62/1027204162.db2.gz HRZOJPYRJZXIHS-STQMWFEESA-N 1 1 319.836 3.661 20 30 DHEDMO CC(C)C[N@H+](CCC#N)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000812311028 1027243346 /nfs/dbraw/zinc/24/33/46/1027243346.db2.gz NHTUMJHPJAFUIX-HNNXBMFYSA-N 1 1 314.351 3.610 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000812311028 1027243364 /nfs/dbraw/zinc/24/33/64/1027243364.db2.gz NHTUMJHPJAFUIX-HNNXBMFYSA-N 1 1 314.351 3.610 20 30 DHEDMO C[N@@H+](CCC(C)(C)C#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273506961 1027248817 /nfs/dbraw/zinc/24/88/17/1027248817.db2.gz OCKSYKWMJQLXNL-DLBZAZTESA-N 1 1 304.409 3.917 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)ccc1C#N ZINC000931910224 1027300179 /nfs/dbraw/zinc/30/01/79/1027300179.db2.gz BVUYZUXETJHULF-CQSZACIVSA-N 1 1 312.310 3.733 20 30 DHEDMO C=CCCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000812495491 1027304267 /nfs/dbraw/zinc/30/42/67/1027304267.db2.gz PYRZSQKVWFGGPF-QZTJIDSGSA-N 1 1 323.525 3.885 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnn2ccccc12 ZINC000362651983 1027331197 /nfs/dbraw/zinc/33/11/97/1027331197.db2.gz QWJNTAJYDGPYPR-AZUAARDMSA-N 1 1 316.408 3.606 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnn2ccccc12 ZINC000362651983 1027331215 /nfs/dbraw/zinc/33/12/15/1027331215.db2.gz QWJNTAJYDGPYPR-AZUAARDMSA-N 1 1 316.408 3.606 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@@H](C)C[C@@H](C)C1)c1ccccc1 ZINC000932126176 1027372451 /nfs/dbraw/zinc/37/24/51/1027372451.db2.gz HTCIRIPVDYWOMW-HLIPFELVSA-N 1 1 312.457 3.795 20 30 DHEDMO C[C@@H]1SCC[N@H+](Cc2ccc(C#N)cn2)[C@@H]1c1ccccc1 ZINC000562371985 1027394528 /nfs/dbraw/zinc/39/45/28/1027394528.db2.gz RHTZJDBXWRGJQD-KSSFIOAISA-N 1 1 309.438 3.632 20 30 DHEDMO C[C@@H]1SCC[N@@H+](Cc2ccc(C#N)cn2)[C@@H]1c1ccccc1 ZINC000562371985 1027394537 /nfs/dbraw/zinc/39/45/37/1027394537.db2.gz RHTZJDBXWRGJQD-KSSFIOAISA-N 1 1 309.438 3.632 20 30 DHEDMO C#C[C@H](N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1ccc(F)cc1 ZINC000812792587 1027401761 /nfs/dbraw/zinc/40/17/61/1027401761.db2.gz DWOAUUIBVYDAEO-CZAAIQMYSA-N 1 1 322.427 3.925 20 30 DHEDMO C#C[C@H]([NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1)c1ccc(F)cc1 ZINC000812792587 1027401769 /nfs/dbraw/zinc/40/17/69/1027401769.db2.gz DWOAUUIBVYDAEO-CZAAIQMYSA-N 1 1 322.427 3.925 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)c1F ZINC000932199882 1027409185 /nfs/dbraw/zinc/40/91/85/1027409185.db2.gz NOKLQKIYSCLODO-ZDUSSCGKSA-N 1 1 315.417 3.609 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1nc2c(s1)CCCC2 ZINC000574617813 1027411369 /nfs/dbraw/zinc/41/13/69/1027411369.db2.gz VXMCVADLLPIATP-CYBMUJFWSA-N 1 1 311.454 3.939 20 30 DHEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812852291 1027450341 /nfs/dbraw/zinc/45/03/41/1027450341.db2.gz XKJYUKWEUUZOTN-KUHUBIRLSA-N 1 1 312.388 3.641 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC34CCCCC4)o2)cc1 ZINC000363162595 1027543695 /nfs/dbraw/zinc/54/36/95/1027543695.db2.gz MDHJWVUTJXHWIK-UHFFFAOYSA-N 1 1 322.412 3.907 20 30 DHEDMO C=C[C@@H](CC(=O)N1CCC[N@H+](CC(C)C)CC1)c1ccccc1 ZINC000363163521 1027544405 /nfs/dbraw/zinc/54/44/05/1027544405.db2.gz YFYCRBCFWAWBGN-SFHVURJKSA-N 1 1 314.473 3.537 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H](O)c1ccccc1F ZINC000363285078 1027583065 /nfs/dbraw/zinc/58/30/65/1027583065.db2.gz BNSOLJKRNLBIMF-MISYRCLQSA-N 1 1 324.399 3.631 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1F ZINC000363285078 1027583070 /nfs/dbraw/zinc/58/30/70/1027583070.db2.gz BNSOLJKRNLBIMF-MISYRCLQSA-N 1 1 324.399 3.631 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000363473005 1027648450 /nfs/dbraw/zinc/64/84/50/1027648450.db2.gz XCDXKWQJZACKQJ-NSHDSACASA-N 1 1 314.355 3.548 20 30 DHEDMO C[C@@]1(Cc2cccs2)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000932928345 1027651927 /nfs/dbraw/zinc/65/19/27/1027651927.db2.gz ZSSHFZYFXIKSDW-HNNXBMFYSA-N 1 1 303.456 3.673 20 30 DHEDMO C=CC[N@H+](CCCc1cnn(C)c1)Cc1ccc(Cl)s1 ZINC000047660213 1027659390 /nfs/dbraw/zinc/65/93/90/1027659390.db2.gz MYMCBWFGHKWJNI-UHFFFAOYSA-N 1 1 309.866 3.756 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c(Cl)c1 ZINC000933081755 1027672438 /nfs/dbraw/zinc/67/24/38/1027672438.db2.gz PSDSCYUSHWJIQR-INIZCTEOSA-N 1 1 318.848 3.850 20 30 DHEDMO C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1ccc(C#N)c(F)c1 ZINC000296576650 1027673217 /nfs/dbraw/zinc/67/32/17/1027673217.db2.gz UAJUGQFHKODAPA-SNVBAGLBSA-N 1 1 323.293 3.962 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000933089306 1027674704 /nfs/dbraw/zinc/67/47/04/1027674704.db2.gz QNDAWPGWTHHYOW-KRWDZBQOSA-N 1 1 318.848 3.850 20 30 DHEDMO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1cscn1 ZINC000576958531 1027685620 /nfs/dbraw/zinc/68/56/20/1027685620.db2.gz MKWVYIXIAGKENW-CYBMUJFWSA-N 1 1 301.415 3.676 20 30 DHEDMO CCCc1nc(C)c(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)o1 ZINC000813792627 1027712920 /nfs/dbraw/zinc/71/29/20/1027712920.db2.gz SRROMPCWDVWGAM-ZDUSSCGKSA-N 1 1 313.401 3.516 20 30 DHEDMO CC[N@H+](CC#Cc1ccccc1Cl)CCc1nccs1 ZINC000159151702 1027737878 /nfs/dbraw/zinc/73/78/78/1027737878.db2.gz AAEJANLNTOXQSR-UHFFFAOYSA-N 1 1 304.846 3.713 20 30 DHEDMO C=CCN1CC[C@@]2(CC[N@H+](CCCCC/C=C\CC)C2)C1=O ZINC001275863053 1027764713 /nfs/dbraw/zinc/76/47/13/1027764713.db2.gz ULZWTUBWKPWUQD-SFFCAUCYSA-N 1 1 304.478 3.623 20 30 DHEDMO N#Cc1ccc(C2CC[NH+](Cc3nc(C4CCC4)no3)CC2)cc1 ZINC000933606636 1027773686 /nfs/dbraw/zinc/77/36/86/1027773686.db2.gz LDZAIQIQMZSUFV-UHFFFAOYSA-N 1 1 322.412 3.588 20 30 DHEDMO CC(C)n1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000933613247 1027774666 /nfs/dbraw/zinc/77/46/66/1027774666.db2.gz UVEFXXXWPZXORI-UHFFFAOYSA-N 1 1 308.429 3.715 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@H+](Cc3cc4ccccc4o3)CCO2)cc1 ZINC000933629340 1027779286 /nfs/dbraw/zinc/77/92/86/1027779286.db2.gz VDEQLVDXEFOMCV-HXUWFJFHSA-N 1 1 318.376 3.878 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@@H+](Cc3cc4ccccc4o3)CCO2)cc1 ZINC000933629340 1027779299 /nfs/dbraw/zinc/77/92/99/1027779299.db2.gz VDEQLVDXEFOMCV-HXUWFJFHSA-N 1 1 318.376 3.878 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933629408 1027781700 /nfs/dbraw/zinc/78/17/00/1027781700.db2.gz PEUZJLSRRINOKQ-YWZLYKJASA-N 1 1 317.392 3.564 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933629408 1027781712 /nfs/dbraw/zinc/78/17/12/1027781712.db2.gz PEUZJLSRRINOKQ-YWZLYKJASA-N 1 1 317.392 3.564 20 30 DHEDMO C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933652753 1027790226 /nfs/dbraw/zinc/79/02/26/1027790226.db2.gz MGQCLBDCHVUGRI-LBPRGKRZSA-N 1 1 323.795 3.878 20 30 DHEDMO N#CC1(C[C@@H](O)CNc2ccc([NH2+]C3CCCCC3)cc2)CC1 ZINC000600741084 1027811077 /nfs/dbraw/zinc/81/10/77/1027811077.db2.gz BPVPJSZMTJLDBW-GOSISDBHSA-N 1 1 313.445 3.898 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000297575943 1027820275 /nfs/dbraw/zinc/82/02/75/1027820275.db2.gz GVMOIEUFRULLLK-MRXNPFEDSA-N 1 1 319.880 3.743 20 30 DHEDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC1CCC(C#N)CC1 ZINC001170723892 1027883901 /nfs/dbraw/zinc/88/39/01/1027883901.db2.gz WWFUWIJAJNMGOA-KLAILNCOSA-N 1 1 315.436 3.666 20 30 DHEDMO C=CCN(C(=O)Nc1cc[nH+]c(N2CCCCC2)c1)C(C)C ZINC000934067973 1027896959 /nfs/dbraw/zinc/89/69/59/1027896959.db2.gz HZYQCOOEKOYFKQ-UHFFFAOYSA-N 1 1 302.422 3.500 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000365457458 1027952801 /nfs/dbraw/zinc/95/28/01/1027952801.db2.gz GNSFVEICGAIHSC-OAHLLOKOSA-N 1 1 315.465 3.512 20 30 DHEDMO C[C@H]1CSCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000934301128 1027955595 /nfs/dbraw/zinc/95/55/95/1027955595.db2.gz SXBKBMUQXVJBDZ-LBPRGKRZSA-N 1 1 310.850 3.570 20 30 DHEDMO COCCSCCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000365504116 1027958919 /nfs/dbraw/zinc/95/89/19/1027958919.db2.gz ASPBFCZDYJHKRC-ROUUACIJSA-N 1 1 318.486 3.528 20 30 DHEDMO N#Cc1ccc2c(c1)[C@H](NC[C@H]1CC[N@@H+]1C1CCCCC1)CC2 ZINC000527948840 1027981202 /nfs/dbraw/zinc/98/12/02/1027981202.db2.gz MIAROXJQKOSQRP-UYAOXDASSA-N 1 1 309.457 3.542 20 30 DHEDMO N#Cc1ccc2c(c1)[C@H](NC[C@H]1CC[N@H+]1C1CCCCC1)CC2 ZINC000527948840 1027981221 /nfs/dbraw/zinc/98/12/21/1027981221.db2.gz MIAROXJQKOSQRP-UYAOXDASSA-N 1 1 309.457 3.542 20 30 DHEDMO C[C@@H](NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(C#N)cc1F ZINC000527951994 1027987262 /nfs/dbraw/zinc/98/72/62/1027987262.db2.gz SGRIYDLNHVYTDT-PBHICJAKSA-N 1 1 315.436 3.755 20 30 DHEDMO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1ccc(C#N)cc1F ZINC000527951994 1027987272 /nfs/dbraw/zinc/98/72/72/1027987272.db2.gz SGRIYDLNHVYTDT-PBHICJAKSA-N 1 1 315.436 3.755 20 30 DHEDMO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)CC1CCC(C#N)CC1 ZINC000934420926 1027996885 /nfs/dbraw/zinc/99/68/85/1027996885.db2.gz MMBQPUQCQUQTHM-UHFFFAOYSA-N 1 1 308.429 3.838 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000934466481 1028012158 /nfs/dbraw/zinc/01/21/58/1028012158.db2.gz LCRIGXIKRWRTNJ-NSHDSACASA-N 1 1 313.228 3.972 20 30 DHEDMO C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3C3CC3)C2)C1=O ZINC001276005054 1028027270 /nfs/dbraw/zinc/02/72/70/1028027270.db2.gz JLULTUOMIZCVRC-NRFANRHFSA-N 1 1 324.468 3.565 20 30 DHEDMO C=CCC(CC=C)C(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000366091048 1028046083 /nfs/dbraw/zinc/04/60/83/1028046083.db2.gz MBBAIYWLOLJWRT-KRWDZBQOSA-N 1 1 315.461 3.938 20 30 DHEDMO C=CCCC[N@@H+](CC)Cc1nc(Cc2cccc(F)c2)no1 ZINC000934644317 1028062492 /nfs/dbraw/zinc/06/24/92/1028062492.db2.gz CMBXOAKGBHLMCF-UHFFFAOYSA-N 1 1 303.381 3.588 20 30 DHEDMO C=CCCC[N@H+](CC)Cc1nc(Cc2cccc(F)c2)no1 ZINC000934644317 1028062505 /nfs/dbraw/zinc/06/25/05/1028062505.db2.gz CMBXOAKGBHLMCF-UHFFFAOYSA-N 1 1 303.381 3.588 20 30 DHEDMO C[C@@H]([NH2+]Cc1cccn1C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000366280296 1028074713 /nfs/dbraw/zinc/07/47/13/1028074713.db2.gz AHIQXGYRSBNUTQ-CYBMUJFWSA-N 1 1 322.437 3.871 20 30 DHEDMO C#CCCC[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000814677505 1028146641 /nfs/dbraw/zinc/14/66/41/1028146641.db2.gz YTSVLDYHZNYCCX-OAHLLOKOSA-N 1 1 306.247 3.727 20 30 DHEDMO CC(=O)c1ccc(C#N)c(NC[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000528118918 1028116502 /nfs/dbraw/zinc/11/65/02/1028116502.db2.gz SLRKNILOCIYHPL-SFHVURJKSA-N 1 1 311.429 3.580 20 30 DHEDMO C=C(C)c1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000934877489 1028135632 /nfs/dbraw/zinc/13/56/32/1028135632.db2.gz QZOWJUATFRLSDJ-AYHJJNSGSA-N 1 1 313.445 3.857 20 30 DHEDMO CC1(C)[C@@H]2C[C@H]([N@H+]3CCC[C@@H](Oc4cccc(C#N)c4)C3)C[C@@H]21 ZINC001170760752 1028178429 /nfs/dbraw/zinc/17/84/29/1028178429.db2.gz JBJBVXOXZWONDD-OQIJWPOYSA-N 1 1 310.441 3.836 20 30 DHEDMO N#Cc1c(NC[C@@H]2CC[N@H+]2C2CCCC2)cccc1C(F)F ZINC000528209074 1028183292 /nfs/dbraw/zinc/18/32/92/1028183292.db2.gz HKSPNMQUBPPSTC-ZDUSSCGKSA-N 1 1 305.372 3.925 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000578623025 1028195734 /nfs/dbraw/zinc/19/57/34/1028195734.db2.gz JDENFAQUTYTSJG-WMZOPIPTSA-N 1 1 303.833 3.583 20 30 DHEDMO C=C(C)CCc1noc(C2CCN(c3ccc(C)c[nH+]3)CC2)n1 ZINC000367558921 1028203952 /nfs/dbraw/zinc/20/39/52/1028203952.db2.gz HIOLRMFYPUNPRX-UHFFFAOYSA-N 1 1 312.417 3.666 20 30 DHEDMO Cc1cc(N=NC2CCC[N@@H+](Cc3ccccc3)[C@H]2C)nc(C)n1 ZINC000814807441 1028232322 /nfs/dbraw/zinc/23/23/22/1028232322.db2.gz WBJKPPOKIFHYKZ-HNNXBMFYSA-N 1 1 323.444 3.546 20 30 DHEDMO CC(C)[N@@H+]1CCc2nc(/C=C/C(=O)c3ccsc3)sc2C1 ZINC000367851554 1028249302 /nfs/dbraw/zinc/24/93/02/1028249302.db2.gz ATLNNNOJAGGNKP-ONEGZZNKSA-N 1 1 318.467 3.867 20 30 DHEDMO CC(C)[N@H+]1CCc2nc(/C=C/C(=O)c3ccsc3)sc2C1 ZINC000367851554 1028249318 /nfs/dbraw/zinc/24/93/18/1028249318.db2.gz ATLNNNOJAGGNKP-ONEGZZNKSA-N 1 1 318.467 3.867 20 30 DHEDMO CC[N@H+](CCC#N)Cc1ccnc2c(Br)cccc12 ZINC000449008610 1028256758 /nfs/dbraw/zinc/25/67/58/1028256758.db2.gz KJSNOXDWRADVRM-UHFFFAOYSA-N 1 1 318.218 3.733 20 30 DHEDMO CC[N@@H+](CCC#N)Cc1ccnc2c(Br)cccc12 ZINC000449008610 1028256772 /nfs/dbraw/zinc/25/67/72/1028256772.db2.gz KJSNOXDWRADVRM-UHFFFAOYSA-N 1 1 318.218 3.733 20 30 DHEDMO CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1ccc(F)c2ccccc12 ZINC000814885896 1028262248 /nfs/dbraw/zinc/26/22/48/1028262248.db2.gz MLIBZZOECXTYJH-HDICACEKSA-N 1 1 324.403 3.563 20 30 DHEDMO C[C@@H]1C(=NNCCC(F)(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000814920865 1028282060 /nfs/dbraw/zinc/28/20/60/1028282060.db2.gz XOBYWVUHGWFKMD-CYBMUJFWSA-N 1 1 313.367 3.569 20 30 DHEDMO C[C@@H]1C(=NNCCC(F)(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000814920865 1028282076 /nfs/dbraw/zinc/28/20/76/1028282076.db2.gz XOBYWVUHGWFKMD-CYBMUJFWSA-N 1 1 313.367 3.569 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)CC2)cc1F ZINC000368055991 1028292037 /nfs/dbraw/zinc/29/20/37/1028292037.db2.gz JQTDYPXBWQZWCZ-HXUWFJFHSA-N 1 1 324.399 3.571 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528341110 1028321031 /nfs/dbraw/zinc/32/10/31/1028321031.db2.gz XBAFVNZPYWEXPV-KRWDZBQOSA-N 1 1 318.486 3.670 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528341110 1028321051 /nfs/dbraw/zinc/32/10/51/1028321051.db2.gz XBAFVNZPYWEXPV-KRWDZBQOSA-N 1 1 318.486 3.670 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000368270253 1028330300 /nfs/dbraw/zinc/33/03/00/1028330300.db2.gz UQVODSCKYQHCAX-IPMKNSEASA-N 1 1 316.420 3.603 20 30 DHEDMO CC[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000368334485 1028339927 /nfs/dbraw/zinc/33/99/27/1028339927.db2.gz VNXZTCFYJFCEGU-CRAIPNDOSA-N 1 1 309.413 3.746 20 30 DHEDMO CC[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000368334485 1028339946 /nfs/dbraw/zinc/33/99/46/1028339946.db2.gz VNXZTCFYJFCEGU-CRAIPNDOSA-N 1 1 309.413 3.746 20 30 DHEDMO CCCCCCCCCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000368684442 1028396752 /nfs/dbraw/zinc/39/67/52/1028396752.db2.gz UZHSKALCCIMCAK-QGZVFWFLSA-N 1 1 319.493 3.963 20 30 DHEDMO Cc1ccc(C[C@H]2CCC[N@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000579417363 1028407181 /nfs/dbraw/zinc/40/71/81/1028407181.db2.gz FHGUZHYOVHEDHT-MRXNPFEDSA-N 1 1 311.454 3.778 20 30 DHEDMO Cc1ccc(C[C@H]2CCC[N@@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000579417363 1028407186 /nfs/dbraw/zinc/40/71/86/1028407186.db2.gz FHGUZHYOVHEDHT-MRXNPFEDSA-N 1 1 311.454 3.778 20 30 DHEDMO CC#CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815203851 1028426326 /nfs/dbraw/zinc/42/63/26/1028426326.db2.gz ZKFGPPCUJQTNOT-IAGOWNOFSA-N 1 1 320.477 3.511 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000579649363 1028457450 /nfs/dbraw/zinc/45/74/50/1028457450.db2.gz CDZAAEBTRFVSAL-CYBMUJFWSA-N 1 1 309.841 3.740 20 30 DHEDMO CC[C@H](c1ccccc1O)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000369509533 1028497789 /nfs/dbraw/zinc/49/77/89/1028497789.db2.gz KVKPUGPUHIYHQG-UYAOXDASSA-N 1 1 322.408 3.788 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000779167756 1028589954 /nfs/dbraw/zinc/58/99/54/1028589954.db2.gz HFPRCIFFSJKCCX-MRXNPFEDSA-N 1 1 310.397 3.801 20 30 DHEDMO COc1cccc([C@@H]2C[N@H+](C[C@@H](C#N)CCC#N)CC2(C)C)c1 ZINC000528619936 1028593472 /nfs/dbraw/zinc/59/34/72/1028593472.db2.gz NBYQWVRNRFSBJO-QAPCUYQASA-N 1 1 311.429 3.564 20 30 DHEDMO COc1cccc([C@@H]2C[N@@H+](C[C@@H](C#N)CCC#N)CC2(C)C)c1 ZINC000528619936 1028593479 /nfs/dbraw/zinc/59/34/79/1028593479.db2.gz NBYQWVRNRFSBJO-QAPCUYQASA-N 1 1 311.429 3.564 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000449454607 1028657382 /nfs/dbraw/zinc/65/73/82/1028657382.db2.gz PELPZFQBBSTOPK-VAMGGRTRSA-N 1 1 315.457 3.767 20 30 DHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC12CCCCC2 ZINC000371167656 1028674353 /nfs/dbraw/zinc/67/43/53/1028674353.db2.gz XLKNRFDSHWLHSE-UHFFFAOYSA-N 1 1 317.458 3.747 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000371334762 1028693022 /nfs/dbraw/zinc/69/30/22/1028693022.db2.gz ZKTNOXVCWMPPDG-QGZVFWFLSA-N 1 1 310.397 3.952 20 30 DHEDMO C[C@@H]1C[C@@H](c2cccs2)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000371397879 1028700840 /nfs/dbraw/zinc/70/08/40/1028700840.db2.gz FUCNRABFOWTZAY-UKRRQHHQSA-N 1 1 322.437 3.645 20 30 DHEDMO C[C@H]1C[C@H](c2cccs2)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000371397880 1028704243 /nfs/dbraw/zinc/70/42/43/1028704243.db2.gz FUCNRABFOWTZAY-ZFWWWQNUSA-N 1 1 322.437 3.645 20 30 DHEDMO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000528743519 1028750543 /nfs/dbraw/zinc/75/05/43/1028750543.db2.gz FNKMMMLSWPZGLF-GOSISDBHSA-N 1 1 309.388 3.860 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](Cc2cnccn2)C(C)(C)C)cc1 ZINC000566782812 1028781610 /nfs/dbraw/zinc/78/16/10/1028781610.db2.gz XRXAUOSYWHPJPU-UHFFFAOYSA-N 1 1 311.429 3.842 20 30 DHEDMO C[N@H+]1CCCC12CCN(c1ccc(C#N)cc1C(F)(F)F)CC2 ZINC000372599213 1028875766 /nfs/dbraw/zinc/87/57/66/1028875766.db2.gz JSKIRRZTFQVMFI-UHFFFAOYSA-N 1 1 323.362 3.642 20 30 DHEDMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000372678892 1028882379 /nfs/dbraw/zinc/88/23/79/1028882379.db2.gz FHEVKKPBOPBYIW-QZTJIDSGSA-N 1 1 305.510 3.903 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000372678892 1028882396 /nfs/dbraw/zinc/88/23/96/1028882396.db2.gz FHEVKKPBOPBYIW-QZTJIDSGSA-N 1 1 305.510 3.903 20 30 DHEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000372751463 1028892251 /nfs/dbraw/zinc/89/22/51/1028892251.db2.gz LSWXBJATBOROMN-IBGZPJMESA-N 1 1 322.456 3.867 20 30 DHEDMO COc1cc(C[NH2+]CC2(C#N)CC2)c(-c2ccccc2)cc1OC ZINC000567546876 1028911914 /nfs/dbraw/zinc/91/19/14/1028911914.db2.gz FEIGOBACZZQNTK-UHFFFAOYSA-N 1 1 322.408 3.764 20 30 DHEDMO C=CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccncc1 ZINC000816551505 1028931949 /nfs/dbraw/zinc/93/19/49/1028931949.db2.gz DCOZDBVTCRHILX-OAHLLOKOSA-N 1 1 306.768 3.987 20 30 DHEDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccc(C#N)c1 ZINC000816554008 1028941448 /nfs/dbraw/zinc/94/14/48/1028941448.db2.gz MHXBSUUYMQLJDN-JTQLQIEISA-N 1 1 304.752 3.907 20 30 DHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC2(C1)CCCCC2 ZINC000129893274 1028943258 /nfs/dbraw/zinc/94/32/58/1028943258.db2.gz IGNYGCXXTBMNQG-HNNXBMFYSA-N 1 1 311.429 3.541 20 30 DHEDMO N#Cc1ccccc1C[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000449765402 1028980971 /nfs/dbraw/zinc/98/09/71/1028980971.db2.gz ICUROBNYOMDEDM-KRWDZBQOSA-N 1 1 312.438 3.613 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC001170845833 1029024560 /nfs/dbraw/zinc/02/45/60/1029024560.db2.gz FEDITHCIUBJFHX-CHWSQXEVSA-N 1 1 309.816 3.682 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000373409352 1029037304 /nfs/dbraw/zinc/03/73/04/1029037304.db2.gz SVVDWNUHBXDTMC-OAHLLOKOSA-N 1 1 308.385 3.615 20 30 DHEDMO C[N@H+](CCC1(C#N)CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000411128320 1029039315 /nfs/dbraw/zinc/03/93/15/1029039315.db2.gz DMVITYYZZJJKPK-UHFFFAOYSA-N 1 1 301.390 3.891 20 30 DHEDMO C[N@@H+](CCC1(C#N)CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000411128320 1029039324 /nfs/dbraw/zinc/03/93/24/1029039324.db2.gz DMVITYYZZJJKPK-UHFFFAOYSA-N 1 1 301.390 3.891 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@@H]1CCc2ccccc2NC1=O ZINC000411129701 1029041322 /nfs/dbraw/zinc/04/13/22/1029041322.db2.gz BUOQXAILXVEFJE-QGZVFWFLSA-N 1 1 312.438 3.690 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H]1CCc2ccccc2NC1=O ZINC000411129701 1029041337 /nfs/dbraw/zinc/04/13/37/1029041337.db2.gz BUOQXAILXVEFJE-QGZVFWFLSA-N 1 1 312.438 3.690 20 30 DHEDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411312770 1029099080 /nfs/dbraw/zinc/09/90/80/1029099080.db2.gz VWNXPSZANLXYMR-HNNXBMFYSA-N 1 1 306.450 3.514 20 30 DHEDMO C#CCCCCC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000120253006 1029125631 /nfs/dbraw/zinc/12/56/31/1029125631.db2.gz DXCMTNHXQIQOSB-HNNXBMFYSA-N 1 1 309.413 3.552 20 30 DHEDMO COCC[N@H+](CCC1(C#N)CCCCC1)Cc1scnc1C ZINC000411659190 1029180519 /nfs/dbraw/zinc/18/05/19/1029180519.db2.gz YIUANVGUUOAKSG-UHFFFAOYSA-N 1 1 321.490 3.764 20 30 DHEDMO COCC[N@@H+](CCC1(C#N)CCCCC1)Cc1scnc1C ZINC000411659190 1029180525 /nfs/dbraw/zinc/18/05/25/1029180525.db2.gz YIUANVGUUOAKSG-UHFFFAOYSA-N 1 1 321.490 3.764 20 30 DHEDMO C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@H](C#N)C1 ZINC001257565610 1029228423 /nfs/dbraw/zinc/22/84/23/1029228423.db2.gz RZYCFOZLBRCATK-TZMCWYRMSA-N 1 1 307.235 3.616 20 30 DHEDMO C[C@@]1(c2ccccc2)CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000374058502 1029197583 /nfs/dbraw/zinc/19/75/83/1029197583.db2.gz SVJBPGGRSARLQB-LJQANCHMSA-N 1 1 312.457 3.751 20 30 DHEDMO C[C@H]1CN(CCC2(C#N)CCCCC2)CC[N@H+](C2CCC2)C1 ZINC000411757801 1029203173 /nfs/dbraw/zinc/20/31/73/1029203173.db2.gz MBILJNDKJJJHSJ-KRWDZBQOSA-N 1 1 303.494 3.657 20 30 DHEDMO C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H](C#N)C1 ZINC001257565610 1029228411 /nfs/dbraw/zinc/22/84/11/1029228411.db2.gz RZYCFOZLBRCATK-TZMCWYRMSA-N 1 1 307.235 3.616 20 30 DHEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CCCC1 ZINC000450186389 1029245463 /nfs/dbraw/zinc/24/54/63/1029245463.db2.gz HUQVNYPMGPOWNW-KRWDZBQOSA-N 1 1 306.494 3.607 20 30 DHEDMO C=CCC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCC1 ZINC000450191139 1029250130 /nfs/dbraw/zinc/25/01/30/1029250130.db2.gz WLJQKWBHLYIRGD-WMZOPIPTSA-N 1 1 316.489 3.598 20 30 DHEDMO C=CCC1(C(=O)N(C)CCCn2cc[nH+]c2C)CCCCC1 ZINC000450183186 1029252454 /nfs/dbraw/zinc/25/24/54/1029252454.db2.gz JUSJBVYDGSZUME-UHFFFAOYSA-N 1 1 303.450 3.567 20 30 DHEDMO C=C(C)CC[N@H+](C[C@H](O)COc1ccccc1SC)C(C)C ZINC000411977819 1029268812 /nfs/dbraw/zinc/26/88/12/1029268812.db2.gz BMWHIUBFZHNUSD-INIZCTEOSA-N 1 1 323.502 3.825 20 30 DHEDMO C#CC[N@H+](Cc1ccc(SC(=O)N(C)C)cc1)C1CCCC1 ZINC000155779963 1029300092 /nfs/dbraw/zinc/30/00/92/1029300092.db2.gz GVUZWZWMXMRBLN-UHFFFAOYSA-N 1 1 316.470 3.838 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C#N)cc1OC ZINC000120724816 1029345421 /nfs/dbraw/zinc/34/54/21/1029345421.db2.gz OQRGYQMWSTYLRL-UHFFFAOYSA-N 1 1 317.392 3.627 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C#N)cc1OC ZINC000120724816 1029345436 /nfs/dbraw/zinc/34/54/36/1029345436.db2.gz OQRGYQMWSTYLRL-UHFFFAOYSA-N 1 1 317.392 3.627 20 30 DHEDMO C=CCn1cc(C[NH2+][C@H](C)c2ccc(SC(F)F)cc2)nn1 ZINC000818347446 1029381113 /nfs/dbraw/zinc/38/11/13/1029381113.db2.gz ROAHZPQOEVQPTJ-LLVKDONJSA-N 1 1 324.400 3.630 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000374741703 1029448703 /nfs/dbraw/zinc/44/87/03/1029448703.db2.gz CQAWXVOKJJVVLI-BEFAXECRSA-N 1 1 316.408 3.916 20 30 DHEDMO CC(C)(C)[N@@H+]1CC[C@@H](NCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000374779836 1029457758 /nfs/dbraw/zinc/45/77/58/1029457758.db2.gz MUKLCFDKDOGURF-HUUCEWRRSA-N 1 1 309.816 3.506 20 30 DHEDMO CC(C)(C)[N@H+]1CC[C@@H](NCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000374779836 1029457764 /nfs/dbraw/zinc/45/77/64/1029457764.db2.gz MUKLCFDKDOGURF-HUUCEWRRSA-N 1 1 309.816 3.506 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000302740911 1029477079 /nfs/dbraw/zinc/47/70/79/1029477079.db2.gz KKTCEBBJBPTRFT-WMZOPIPTSA-N 1 1 302.462 3.931 20 30 DHEDMO C[C@H]1CCCC[N@@H+]1CCC1CCN(CC2(C#N)CCC2)CC1 ZINC000450495301 1029516635 /nfs/dbraw/zinc/51/66/35/1029516635.db2.gz UKAWMONAOGCHCJ-KRWDZBQOSA-N 1 1 303.494 3.657 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(CC2(C#N)CCC2)CC1 ZINC000450495301 1029516641 /nfs/dbraw/zinc/51/66/41/1029516641.db2.gz UKAWMONAOGCHCJ-KRWDZBQOSA-N 1 1 303.494 3.657 20 30 DHEDMO C=CC[C@@H](Cc1ccccc1)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000412845997 1029538408 /nfs/dbraw/zinc/53/84/08/1029538408.db2.gz WJQKWCDYAWVCOH-RBUKOAKNSA-N 1 1 314.473 3.555 20 30 DHEDMO N#CC1(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000450616865 1029580792 /nfs/dbraw/zinc/58/07/92/1029580792.db2.gz SBBVALGNMRVVMH-GJZGRUSLSA-N 1 1 324.346 3.507 20 30 DHEDMO N#CC1(C[N@H+]2C[C@@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000450616865 1029580798 /nfs/dbraw/zinc/58/07/98/1029580798.db2.gz SBBVALGNMRVVMH-GJZGRUSLSA-N 1 1 324.346 3.507 20 30 DHEDMO CCCOc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1OC ZINC000450668001 1029604601 /nfs/dbraw/zinc/60/46/01/1029604601.db2.gz XSFCMAZXEMWUJB-CQSZACIVSA-N 1 1 302.418 3.828 20 30 DHEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(OCC2CC2)c(F)c1 ZINC000450680717 1029607945 /nfs/dbraw/zinc/60/79/45/1029607945.db2.gz LHVROJRMIZCCQM-ZDUSSCGKSA-N 1 1 302.393 3.959 20 30 DHEDMO C[N@@H+](CC1(C#N)CCC1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000450748176 1029633858 /nfs/dbraw/zinc/63/38/58/1029633858.db2.gz VWFQTRBCDWOWSE-IRXDYDNUSA-N 1 1 302.393 3.671 20 30 DHEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](CC/C=C\c3ccccc3)C2)nc1 ZINC000451056620 1029779226 /nfs/dbraw/zinc/77/92/26/1029779226.db2.gz OZIKGDPLRVPRGU-KYLNKMBASA-N 1 1 319.408 3.510 20 30 DHEDMO C=CC1(CC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CCCCC1 ZINC001136394570 1029789694 /nfs/dbraw/zinc/78/96/94/1029789694.db2.gz OCQOPBXLIMGUEN-DLBZAZTESA-N 1 1 306.494 3.750 20 30 DHEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000451402593 1029867183 /nfs/dbraw/zinc/86/71/83/1029867183.db2.gz BRRRYJIVLHQKLC-KGLIPLIRSA-N 1 1 318.383 3.750 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451415078 1029871542 /nfs/dbraw/zinc/87/15/42/1029871542.db2.gz JFRZMTAORWAIDA-QRQLOZEOSA-N 1 1 312.457 3.613 20 30 DHEDMO CCO[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000451526845 1029898091 /nfs/dbraw/zinc/89/80/91/1029898091.db2.gz HCJJJUIQGXETHL-MAUKXSAKSA-N 1 1 300.446 3.735 20 30 DHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ncc(C#N)cc1F ZINC000413058962 1029921313 /nfs/dbraw/zinc/92/13/13/1029921313.db2.gz JDOLVGKMYSBMOG-UHFFFAOYSA-N 1 1 312.392 3.545 20 30 DHEDMO C=C(C)C[N@@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000122011321 1029934627 /nfs/dbraw/zinc/93/46/27/1029934627.db2.gz BPPBFSVAXFNXSG-UHFFFAOYSA-N 1 1 303.431 3.685 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000122011321 1029934643 /nfs/dbraw/zinc/93/46/43/1029934643.db2.gz BPPBFSVAXFNXSG-UHFFFAOYSA-N 1 1 303.431 3.685 20 30 DHEDMO N#Cc1c(C[N@H+](Cc2ccccc2)C2CC2)cn2ccccc12 ZINC000357210372 1029951356 /nfs/dbraw/zinc/95/13/56/1029951356.db2.gz OZGJVDVNRZKLOD-UHFFFAOYSA-N 1 1 301.393 3.976 20 30 DHEDMO N#Cc1c(C[N@@H+](Cc2ccccc2)C2CC2)cn2ccccc12 ZINC000357210372 1029951369 /nfs/dbraw/zinc/95/13/69/1029951369.db2.gz OZGJVDVNRZKLOD-UHFFFAOYSA-N 1 1 301.393 3.976 20 30 DHEDMO COc1ccc2c(c1)C[N@H+]([C@H](C)c1ccc(C#N)cc1)CCO2 ZINC000451640506 1029959928 /nfs/dbraw/zinc/95/99/28/1029959928.db2.gz DUVCMZRSMRIVAS-CQSZACIVSA-N 1 1 308.381 3.522 20 30 DHEDMO COc1ccc2c(c1)C[N@@H+]([C@H](C)c1ccc(C#N)cc1)CCO2 ZINC000451640506 1029959941 /nfs/dbraw/zinc/95/99/41/1029959941.db2.gz DUVCMZRSMRIVAS-CQSZACIVSA-N 1 1 308.381 3.522 20 30 DHEDMO C[N@@H+](CCCCNc1cc(C#N)ccc1C(F)(F)F)C1CC1 ZINC000413344370 1029965036 /nfs/dbraw/zinc/96/50/36/1029965036.db2.gz CIWAMQUKLSYQRE-UHFFFAOYSA-N 1 1 311.351 3.863 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000451836209 1030024922 /nfs/dbraw/zinc/02/49/22/1030024922.db2.gz KUWVXBQVZOHULJ-GOSISDBHSA-N 1 1 308.381 3.757 20 30 DHEDMO N#Cc1ccc(OCC[N@H+]2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000451836209 1030024934 /nfs/dbraw/zinc/02/49/34/1030024934.db2.gz KUWVXBQVZOHULJ-GOSISDBHSA-N 1 1 308.381 3.757 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H](CF)c2ccc(F)cc2)cc1 ZINC000865822577 1030040464 /nfs/dbraw/zinc/04/04/64/1030040464.db2.gz KRWNDGHFDNHHDP-SCLBCKFNSA-N 1 1 316.351 3.917 20 30 DHEDMO N#CCCC[C@@H]([NH3+])c1nc(CSc2ccc(Cl)cc2)no1 ZINC000822664207 1030089664 /nfs/dbraw/zinc/08/96/64/1030089664.db2.gz MAMHNENYEGQRMY-GFCCVEGCSA-N 1 1 322.821 3.709 20 30 DHEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)CC#Cc3ccccc3)C2)c1 ZINC000452016879 1030094002 /nfs/dbraw/zinc/09/40/02/1030094002.db2.gz MCYFOISSLFRVHW-MXVIHJGJSA-N 1 1 305.421 3.925 20 30 DHEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000822696426 1030101764 /nfs/dbraw/zinc/10/17/64/1030101764.db2.gz OBAIALHZIBVJBP-LLVKDONJSA-N 1 1 311.172 3.737 20 30 DHEDMO CSc1ccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)c(Cl)c1 ZINC000822855394 1030130395 /nfs/dbraw/zinc/13/03/95/1030130395.db2.gz FRABVIQTMCFJPS-LBPRGKRZSA-N 1 1 322.821 3.806 20 30 DHEDMO C[C@H]([NH2+][C@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(C#N)c1O ZINC000866250145 1030179661 /nfs/dbraw/zinc/17/96/61/1030179661.db2.gz VICYIJWCQLBCPV-ZOCIIQOWSA-N 1 1 322.408 3.835 20 30 DHEDMO COC(=O)c1cccc(-c2ccc(NCCCS)[nH+]c2C)c1 ZINC001171000714 1030185472 /nfs/dbraw/zinc/18/54/72/1030185472.db2.gz DBSRWQWMCKIDIK-UHFFFAOYSA-N 1 1 316.426 3.575 20 30 DHEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC000823069553 1030198881 /nfs/dbraw/zinc/19/88/81/1030198881.db2.gz PLPLOXHETVRIDC-LLVKDONJSA-N 1 1 311.172 3.737 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC)C1 ZINC000533224680 1030204080 /nfs/dbraw/zinc/20/40/80/1030204080.db2.gz WPTVHKKFBMGFOI-HZPDHXFCSA-N 1 1 320.502 3.773 20 30 DHEDMO Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866294579 1030209038 /nfs/dbraw/zinc/20/90/38/1030209038.db2.gz KBLMWFLNHGJQGY-SUMWQHHRSA-N 1 1 308.381 3.665 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cccc(C#N)c1O ZINC000866344876 1030243034 /nfs/dbraw/zinc/24/30/34/1030243034.db2.gz ATHMPAUDPUFLKV-MEDUHNTESA-N 1 1 312.344 3.577 20 30 DHEDMO C[C@@H](C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000533399241 1030316109 /nfs/dbraw/zinc/31/61/09/1030316109.db2.gz KLHMVOLNIRAKHE-JKSUJKDBSA-N 1 1 321.424 3.621 20 30 DHEDMO CCCCC[C@@H](C)NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000823616904 1030342856 /nfs/dbraw/zinc/34/28/56/1030342856.db2.gz DKWQWQZIZOSICP-CVEARBPZSA-N 1 1 315.461 3.636 20 30 DHEDMO CCCCC[C@@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000823616904 1030342874 /nfs/dbraw/zinc/34/28/74/1030342874.db2.gz DKWQWQZIZOSICP-CVEARBPZSA-N 1 1 315.461 3.636 20 30 DHEDMO C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001136768968 1030380717 /nfs/dbraw/zinc/38/07/17/1030380717.db2.gz VMBHXIHNTMHIQO-BHIYHBOVSA-N 1 1 318.505 3.702 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N1CC[N@H+](CC)C[C@@H]1CC ZINC000455388444 1030447126 /nfs/dbraw/zinc/44/71/26/1030447126.db2.gz UUZATKIIWQQZEI-KRWDZBQOSA-N 1 1 315.461 3.753 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCCC[C@H]2CC(C)C)c1=S ZINC000122052178 1030552716 /nfs/dbraw/zinc/55/27/16/1030552716.db2.gz CXCLLPTWGRXVHQ-HNNXBMFYSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCCC[C@H]2CC(C)C)c1=S ZINC000122052178 1030552719 /nfs/dbraw/zinc/55/27/19/1030552719.db2.gz CXCLLPTWGRXVHQ-HNNXBMFYSA-N 1 1 308.495 3.767 20 30 DHEDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000824474626 1030561168 /nfs/dbraw/zinc/56/11/68/1030561168.db2.gz QPZFOQLSNJGKED-UHFFFAOYSA-N 1 1 319.452 3.940 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1N=Nc1cccc(F)n1 ZINC000795007951 1030565937 /nfs/dbraw/zinc/56/59/37/1030565937.db2.gz AEWWFRNSBPOKNC-AWEZNQCLSA-N 1 1 312.392 3.531 20 30 DHEDMO CC[C@H](CSC)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000558422240 1030571584 /nfs/dbraw/zinc/57/15/84/1030571584.db2.gz AIGNUNWXYKVUDF-MRXNPFEDSA-N 1 1 306.475 3.943 20 30 DHEDMO N#CCCOCC[N@H+]1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000339081279 1030602965 /nfs/dbraw/zinc/60/29/65/1030602965.db2.gz KXQDSBDGLCZDOZ-HLRDLLSLSA-N 1 1 304.459 3.936 20 30 DHEDMO Cc1ccc2ncc(C#N)c(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c2c1 ZINC000291839712 1030665276 /nfs/dbraw/zinc/66/52/76/1030665276.db2.gz GULZHGHXFAWCRT-CQSZACIVSA-N 1 1 317.396 3.522 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@H]1C ZINC000247226070 1030683220 /nfs/dbraw/zinc/68/32/20/1030683220.db2.gz WCJMBWFBPHCXCO-CVEARBPZSA-N 1 1 308.429 3.694 20 30 DHEDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000247244914 1030683670 /nfs/dbraw/zinc/68/36/70/1030683670.db2.gz WYCIHTPMNDNKTF-WMLDXEAASA-N 1 1 304.459 3.695 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2cn3c(n2)CCCC3)cc1 ZINC000926400939 1030723446 /nfs/dbraw/zinc/72/34/46/1030723446.db2.gz LQOKRYXXCOZUMT-HNNXBMFYSA-N 1 1 311.429 3.635 20 30 DHEDMO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000359023922 1030736427 /nfs/dbraw/zinc/73/64/27/1030736427.db2.gz GDJBSCDBKFMNPO-CHWSQXEVSA-N 1 1 319.836 3.661 20 30 DHEDMO CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000359023923 1030738194 /nfs/dbraw/zinc/73/81/94/1030738194.db2.gz GDJBSCDBKFMNPO-OLZOCXBDSA-N 1 1 319.836 3.661 20 30 DHEDMO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000248766445 1030765222 /nfs/dbraw/zinc/76/52/22/1030765222.db2.gz GZIKPECDGMQHHX-LJHODMEESA-N 1 1 309.388 3.982 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(OC(C)=O)cc1 ZINC000122637409 1030789720 /nfs/dbraw/zinc/78/97/20/1030789720.db2.gz GAFBUCHFPXQPJR-UHFFFAOYSA-N 1 1 301.411 3.862 20 30 DHEDMO COc1ccc(C[N@H+](CCC#N)C2CCCCCCC2)cn1 ZINC001137036168 1030797558 /nfs/dbraw/zinc/79/75/58/1030797558.db2.gz VODXSQBGFZPPMZ-UHFFFAOYSA-N 1 1 301.434 3.919 20 30 DHEDMO COc1ccc(C[N@@H+](CCC#N)C2CCCCCCC2)cn1 ZINC001137036168 1030797566 /nfs/dbraw/zinc/79/75/66/1030797566.db2.gz VODXSQBGFZPPMZ-UHFFFAOYSA-N 1 1 301.434 3.919 20 30 DHEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000614964093 1030882363 /nfs/dbraw/zinc/88/23/63/1030882363.db2.gz XLDQRBMRSFJIEO-WMLDXEAASA-N 1 1 314.429 3.530 20 30 DHEDMO C#CCCN1CC[N@H+](CCCc2ccccc2)C[C@H]1CC(C)C ZINC000795119290 1030994906 /nfs/dbraw/zinc/99/49/06/1030994906.db2.gz FUMDCMGJVKRKBT-OAQYLSRUSA-N 1 1 312.501 3.675 20 30 DHEDMO C#CCC[N@H+]1CCN(CCCc2ccccc2)C[C@H]1CC(C)C ZINC000795119290 1030994923 /nfs/dbraw/zinc/99/49/23/1030994923.db2.gz FUMDCMGJVKRKBT-OAQYLSRUSA-N 1 1 312.501 3.675 20 30 DHEDMO C#CCC[N@@H+]1CCN(CCCc2ccccc2)C[C@H]1CC(C)C ZINC000795119290 1030994933 /nfs/dbraw/zinc/99/49/33/1030994933.db2.gz FUMDCMGJVKRKBT-OAQYLSRUSA-N 1 1 312.501 3.675 20 30 DHEDMO Cc1ccc(C#N)c(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000359512280 1031001820 /nfs/dbraw/zinc/00/18/20/1031001820.db2.gz ZJGJWXCLQLYNIX-CRAIPNDOSA-N 1 1 306.413 3.509 20 30 DHEDMO C=CCC[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccco1 ZINC000926929318 1031002679 /nfs/dbraw/zinc/00/26/79/1031002679.db2.gz USPQPICQXAHNLV-GFCCVEGCSA-N 1 1 313.323 3.829 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000844272593 1031033672 /nfs/dbraw/zinc/03/36/72/1031033672.db2.gz LKCAYSJLNZNMES-CYBMUJFWSA-N 1 1 307.353 3.586 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000844272593 1031033688 /nfs/dbraw/zinc/03/36/88/1031033688.db2.gz LKCAYSJLNZNMES-CYBMUJFWSA-N 1 1 307.353 3.586 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1C ZINC000844440883 1031143210 /nfs/dbraw/zinc/14/32/10/1031143210.db2.gz WDKYQUXOKZWSCG-QGZVFWFLSA-N 1 1 322.399 3.595 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1C ZINC000844440883 1031143215 /nfs/dbraw/zinc/14/32/15/1031143215.db2.gz WDKYQUXOKZWSCG-QGZVFWFLSA-N 1 1 322.399 3.595 20 30 DHEDMO COc1ccc(Cl)c2c1CCC[C@H]2[N@@H+](C)CCO[C@H](C)C#N ZINC000844443045 1031146565 /nfs/dbraw/zinc/14/65/65/1031146565.db2.gz HVRLPLUCUVZHNL-IUODEOHRSA-N 1 1 322.836 3.586 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000359858304 1031167291 /nfs/dbraw/zinc/16/72/91/1031167291.db2.gz RMUNJKISQRJIPR-KRWDZBQOSA-N 1 1 304.821 3.604 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000359858304 1031167300 /nfs/dbraw/zinc/16/73/00/1031167300.db2.gz RMUNJKISQRJIPR-KRWDZBQOSA-N 1 1 304.821 3.604 20 30 DHEDMO C=CC[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001144029015 1031185062 /nfs/dbraw/zinc/18/50/62/1031185062.db2.gz OVRMAHLDVLAWSK-SJLPKXTDSA-N 1 1 314.473 3.616 20 30 DHEDMO C=CC[C@@H]1CCN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)C1 ZINC000628487212 1031191531 /nfs/dbraw/zinc/19/15/31/1031191531.db2.gz ZWBFOWNVJPQCBC-QGZVFWFLSA-N 1 1 314.473 3.955 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)CCc1ccc2c(c1)OCCO2 ZINC000360014589 1031241944 /nfs/dbraw/zinc/24/19/44/1031241944.db2.gz CYGHCXQVRSATRE-UHFFFAOYSA-N 1 1 316.445 3.652 20 30 DHEDMO C=CCC(CC=C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000273089894 1031277939 /nfs/dbraw/zinc/27/79/39/1031277939.db2.gz ZSHVRNXGYZQJGS-UHFFFAOYSA-N 1 1 319.474 3.617 20 30 DHEDMO C=CCC(CC=C)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000273089894 1031277952 /nfs/dbraw/zinc/27/79/52/1031277952.db2.gz ZSHVRNXGYZQJGS-UHFFFAOYSA-N 1 1 319.474 3.617 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1O ZINC000844747006 1031309000 /nfs/dbraw/zinc/30/90/00/1031309000.db2.gz RJEFNPQLSZMTTH-KRWDZBQOSA-N 1 1 323.383 3.751 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1O ZINC000844755792 1031316840 /nfs/dbraw/zinc/31/68/40/1031316840.db2.gz HBOHWKXCEFJERL-QGZVFWFLSA-N 1 1 323.383 3.751 20 30 DHEDMO C=CC[N@@H+](C[C@@H]1CC=CCC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000536675426 1031387057 /nfs/dbraw/zinc/38/70/57/1031387057.db2.gz MNRJCTCFVXVSDZ-DLBZAZTESA-N 1 1 323.444 3.568 20 30 DHEDMO C[N@@H+](CCOc1ccc(F)cc1Cl)Cc1cccc(C#N)c1 ZINC000536687501 1031393761 /nfs/dbraw/zinc/39/37/61/1031393761.db2.gz CNQNMWMYKQZWCO-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)C[C@H]1COc2ccccc2O1 ZINC000929229812 1031472466 /nfs/dbraw/zinc/47/24/66/1031472466.db2.gz HKSGIPVJLBHKRI-INIZCTEOSA-N 1 1 314.429 3.622 20 30 DHEDMO C[N@H+](CC(=O)Nc1ccccc1Cl)CC1CCC(C#N)CC1 ZINC000929242317 1031474203 /nfs/dbraw/zinc/47/42/03/1031474203.db2.gz YMBMHPJITDXZMH-UHFFFAOYSA-N 1 1 319.836 3.540 20 30 DHEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929239271 1031474327 /nfs/dbraw/zinc/47/43/27/1031474327.db2.gz YCLCLKHWMPLETG-GTPINHCMSA-N 1 1 323.444 3.590 20 30 DHEDMO CN(c1ccccc1)C1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000537047901 1031497263 /nfs/dbraw/zinc/49/72/63/1031497263.db2.gz WMTRPMIYDRDXOD-UHFFFAOYSA-N 1 1 323.415 3.798 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)CC1 ZINC000929485929 1031532021 /nfs/dbraw/zinc/53/20/21/1031532021.db2.gz PSSAPNZPAORWIJ-JMLCCBQJSA-N 1 1 302.393 3.529 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)CC1 ZINC000929485929 1031532032 /nfs/dbraw/zinc/53/20/32/1031532032.db2.gz PSSAPNZPAORWIJ-JMLCCBQJSA-N 1 1 302.393 3.529 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000360834499 1031581181 /nfs/dbraw/zinc/58/11/81/1031581181.db2.gz IPLPGMIHFOBZEQ-SLFFLAALSA-N 1 1 309.457 3.542 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000360834499 1031581192 /nfs/dbraw/zinc/58/11/92/1031581192.db2.gz IPLPGMIHFOBZEQ-SLFFLAALSA-N 1 1 309.457 3.542 20 30 DHEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000537408169 1031596487 /nfs/dbraw/zinc/59/64/87/1031596487.db2.gz VWHVWUROECZSMB-QXSJWSMHSA-N 1 1 317.452 3.714 20 30 DHEDMO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000537408169 1031596499 /nfs/dbraw/zinc/59/64/99/1031596499.db2.gz VWHVWUROECZSMB-QXSJWSMHSA-N 1 1 317.452 3.714 20 30 DHEDMO CC[N@H+]1CC[C@@H](N(C)Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C ZINC000929782297 1031607652 /nfs/dbraw/zinc/60/76/52/1031607652.db2.gz UNMABGOPHVHQFK-SUMWQHHRSA-N 1 1 305.853 3.516 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)Cc1ccc([S@@](C)=O)cc1 ZINC000929799398 1031612410 /nfs/dbraw/zinc/61/24/10/1031612410.db2.gz MBUYFMFROXKGIW-JOCHJYFZSA-N 1 1 318.486 3.720 20 30 DHEDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000929835359 1031619407 /nfs/dbraw/zinc/61/94/07/1031619407.db2.gz QIUIVKUKUWENQD-KRWDZBQOSA-N 1 1 314.820 3.591 20 30 DHEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000929835359 1031619414 /nfs/dbraw/zinc/61/94/14/1031619414.db2.gz QIUIVKUKUWENQD-KRWDZBQOSA-N 1 1 314.820 3.591 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000929833687 1031620617 /nfs/dbraw/zinc/62/06/17/1031620617.db2.gz ZZDXPQINWOUSDO-IEBWSBKVSA-N 1 1 324.424 3.856 20 30 DHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(C#N)s3)cc2)c1C ZINC000360951029 1031640223 /nfs/dbraw/zinc/64/02/23/1031640223.db2.gz JLFJAVTZAFHRTG-UHFFFAOYSA-N 1 1 322.393 3.675 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1cccc(C(=O)OC)c1 ZINC000360970319 1031652900 /nfs/dbraw/zinc/65/29/00/1031652900.db2.gz ZKKANSROSOVNNZ-UHFFFAOYSA-N 1 1 302.418 3.625 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cccc(C(=O)OC)c1 ZINC000360970319 1031652910 /nfs/dbraw/zinc/65/29/10/1031652910.db2.gz ZKKANSROSOVNNZ-UHFFFAOYSA-N 1 1 302.418 3.625 20 30 DHEDMO COc1cc(C)c(C[N@@H+](C)CC2CCC(C#N)CC2)cc1OC ZINC000929134930 1031654918 /nfs/dbraw/zinc/65/49/18/1031654918.db2.gz LCJZKOZYDGURIJ-UHFFFAOYSA-N 1 1 316.445 3.774 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC2CCC(C#N)CC2)C1 ZINC000929966534 1031663249 /nfs/dbraw/zinc/66/32/49/1031663249.db2.gz YAESTVXPHXYXGS-MAQDGTSESA-N 1 1 303.494 3.654 20 30 DHEDMO C[C@@H]1CC[C@H](C)N1[C@@H]1CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929966534 1031663252 /nfs/dbraw/zinc/66/32/52/1031663252.db2.gz YAESTVXPHXYXGS-MAQDGTSESA-N 1 1 303.494 3.654 20 30 DHEDMO C[C@@H]1CC[C@H](C)N1[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929966534 1031663262 /nfs/dbraw/zinc/66/32/62/1031663262.db2.gz YAESTVXPHXYXGS-MAQDGTSESA-N 1 1 303.494 3.654 20 30 DHEDMO CC[C@H](O)C[N@H+](Cc1ccccc1)CC1CCC(C#N)CC1 ZINC000930056922 1031687584 /nfs/dbraw/zinc/68/75/84/1031687584.db2.gz KXLNDDRVLQDTSS-KVZIAJEVSA-N 1 1 300.446 3.589 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000537467322 1031700764 /nfs/dbraw/zinc/70/07/64/1031700764.db2.gz LWLPVEOZYBLTSM-IBGZPJMESA-N 1 1 301.430 3.642 20 30 DHEDMO C#Cc1ccc(C[NH+]2CCN([C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC001144581276 1031719059 /nfs/dbraw/zinc/71/90/59/1031719059.db2.gz OCWMYTSKPNKKHZ-QGZVFWFLSA-N 1 1 322.427 3.686 20 30 DHEDMO N#CC1(c2ccc(C[NH2+]Cc3ncc(Cl)s3)cc2)CC1 ZINC000873164534 1031734350 /nfs/dbraw/zinc/73/43/50/1031734350.db2.gz IVHHDIAEHLOIIX-UHFFFAOYSA-N 1 1 303.818 3.641 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc(N)c(Cl)c3)sc2C1 ZINC001212106092 1031757955 /nfs/dbraw/zinc/75/79/55/1031757955.db2.gz PUKUPNQSUYJPAT-UHFFFAOYSA-N 1 1 318.833 3.587 20 30 DHEDMO C[NH+]1CCC2(CCCN(Cc3cc(Cl)cc(C#N)c3)C2)CC1 ZINC000930310188 1031776490 /nfs/dbraw/zinc/77/64/90/1031776490.db2.gz SMZDGFUMUPTGKB-UHFFFAOYSA-N 1 1 317.864 3.519 20 30 DHEDMO C[N@H+](Cc1ccc(C2CC2)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846007481 1031804883 /nfs/dbraw/zinc/80/48/83/1031804883.db2.gz NXDUBWOXUNJHEW-HXUWFJFHSA-N 1 1 306.409 3.601 20 30 DHEDMO Cc1cc(Cl)cc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000846008825 1031805163 /nfs/dbraw/zinc/80/51/63/1031805163.db2.gz YDMAMRSIEVDALB-SFHVURJKSA-N 1 1 314.816 3.686 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC(C)(C)C[C@H]1C ZINC001171207844 1031824546 /nfs/dbraw/zinc/82/45/46/1031824546.db2.gz FSQOOJNUYSVRNJ-NEPJUHHUSA-N 1 1 319.836 3.659 20 30 DHEDMO N#CC1CCC(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)CC1 ZINC000930459037 1031827321 /nfs/dbraw/zinc/82/73/21/1031827321.db2.gz RVGPEGRWRMZWRI-OYOWGXFISA-N 1 1 324.468 3.821 20 30 DHEDMO CCOC1CC2(C1)CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)C2 ZINC000930466194 1031829486 /nfs/dbraw/zinc/82/94/86/1031829486.db2.gz LGRPCJFKBHARIY-UHFFFAOYSA-N 1 1 304.821 3.603 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000930520908 1031856466 /nfs/dbraw/zinc/85/64/66/1031856466.db2.gz HFEQHHVQTJRXMW-DLBZAZTESA-N 1 1 316.832 3.745 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000930520908 1031856476 /nfs/dbraw/zinc/85/64/76/1031856476.db2.gz HFEQHHVQTJRXMW-DLBZAZTESA-N 1 1 316.832 3.745 20 30 DHEDMO Cn1cc([C@H]2C[N@@H+](CCCCC3(C#N)CCC3)CC2(C)C)cn1 ZINC000930587184 1031878002 /nfs/dbraw/zinc/87/80/02/1031878002.db2.gz HTIDJVRRNCKTIL-QGZVFWFLSA-N 1 1 314.477 3.710 20 30 DHEDMO C=C[C@H](CC)CC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000930665878 1031911881 /nfs/dbraw/zinc/91/18/81/1031911881.db2.gz IKDGGSPIRYHZGZ-CQSZACIVSA-N 1 1 315.392 3.538 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1cncc(-c2cc(F)ccc2OC)c1 ZINC000930692453 1031918604 /nfs/dbraw/zinc/91/86/04/1031918604.db2.gz GGQZGQHRKDJICI-INIZCTEOSA-N 1 1 313.376 3.678 20 30 DHEDMO CN(CCC[N@@H+](C)CC1CCC(C#N)CC1)C(=O)OC(C)(C)C ZINC000930721841 1031928840 /nfs/dbraw/zinc/92/88/40/1031928840.db2.gz KNCWNSYBDILYHF-UHFFFAOYSA-N 1 1 323.481 3.505 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@H](Cc4nccs4)C3)cc2)CC1 ZINC000898068713 1031940370 /nfs/dbraw/zinc/94/03/70/1031940370.db2.gz QOLKERZPVVPNBD-INIZCTEOSA-N 1 1 323.465 3.763 20 30 DHEDMO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1CC1CCC(C#N)CC1 ZINC000930822592 1031961198 /nfs/dbraw/zinc/96/11/98/1031961198.db2.gz ZUELPBVHLHWDJD-XTUQQUOLSA-N 1 1 316.420 3.917 20 30 DHEDMO COc1cc(C[N@@H+](C)[C@H](C)Cc2cccc(C#N)c2)cc(OC)c1 ZINC001171221850 1031963822 /nfs/dbraw/zinc/96/38/22/1031963822.db2.gz WAQLHLNCYTYOMJ-OAHLLOKOSA-N 1 1 324.424 3.638 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361562107 1031986625 /nfs/dbraw/zinc/98/66/25/1031986625.db2.gz KEBNYCJDRACFHS-AWEZNQCLSA-N 1 1 304.393 3.872 20 30 DHEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000930934229 1031988075 /nfs/dbraw/zinc/98/80/75/1031988075.db2.gz IOJSCIDSYJKUGV-IEBWSBKVSA-N 1 1 314.473 3.617 20 30 DHEDMO N#CC1CCC(C[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)CC1 ZINC000930954461 1031993607 /nfs/dbraw/zinc/99/36/07/1031993607.db2.gz VJNXRZKBONDVAB-HTWSVDAQSA-N 1 1 320.440 3.749 20 30 DHEDMO C=C(C)C[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000054993001 1031997474 /nfs/dbraw/zinc/99/74/74/1031997474.db2.gz YIKUKEFTTLOXCM-UHFFFAOYSA-N 1 1 313.470 3.504 20 30 DHEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2ccnc(C#N)c2)c1 ZINC000612137791 1032027139 /nfs/dbraw/zinc/02/71/39/1032027139.db2.gz WLYOUGJNWAKKFQ-AUUYWEPGSA-N 1 1 307.397 3.545 20 30 DHEDMO C=CC[N@@H+](CCOC)Cc1cn(-c2ccccc2)nc1C(C)C ZINC000361647809 1032036640 /nfs/dbraw/zinc/03/66/40/1032036640.db2.gz LTVRMGDYCVXSRI-UHFFFAOYSA-N 1 1 313.445 3.630 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1cn(-c2ccccc2)nc1C(C)C ZINC000361647809 1032036656 /nfs/dbraw/zinc/03/66/56/1032036656.db2.gz LTVRMGDYCVXSRI-UHFFFAOYSA-N 1 1 313.445 3.630 20 30 DHEDMO Oc1ccc2ccccc2c1/C=N\[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000846756696 1032050786 /nfs/dbraw/zinc/05/07/86/1032050786.db2.gz KQYCXUZLJSCDAZ-KNVVHKQBSA-N 1 1 308.425 3.981 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000877521578 1033333406 /nfs/dbraw/zinc/33/34/06/1033333406.db2.gz CZDGZVILURHMRD-HOTGVXAUSA-N 1 1 323.481 3.696 20 30 DHEDMO Cn1cc(Br)cc1C[N@@H+](C)CCCC(C)(C)C#N ZINC000151572162 1033467456 /nfs/dbraw/zinc/46/74/56/1033467456.db2.gz ZLBCBQZGBDQJHQ-UHFFFAOYSA-N 1 1 312.255 3.549 20 30 DHEDMO C[C@@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1ccc(C#N)cc1 ZINC000478403320 1033472407 /nfs/dbraw/zinc/47/24/07/1033472407.db2.gz FANSZXUAXIJMPV-GFCCVEGCSA-N 1 1 324.815 3.949 20 30 DHEDMO CCC[N@@H+]([C@H](C)CC)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172981394 1033490429 /nfs/dbraw/zinc/49/04/29/1033490429.db2.gz VXKPOEAVVVCZLB-PMPSAXMXSA-N 1 1 323.481 3.789 20 30 DHEDMO C[C@H]1CCCCC[N@H+]1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172983147 1033491531 /nfs/dbraw/zinc/49/15/31/1033491531.db2.gz GYHHMVGSRVJGRU-XHSDSOJGSA-N 1 1 321.465 3.543 20 30 DHEDMO CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)[C@@H](C)C(C)C ZINC000878001269 1033547441 /nfs/dbraw/zinc/54/74/41/1033547441.db2.gz VKKLNMGYZPBIGD-LPHOPBHVSA-N 1 1 300.446 3.793 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H]1CC(C)C)c1ccccc1 ZINC000878020102 1033555821 /nfs/dbraw/zinc/55/58/21/1033555821.db2.gz KOMBEIWBIICDQY-PMACEKPBSA-N 1 1 312.457 3.938 20 30 DHEDMO CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccoc1 ZINC000878036278 1033560967 /nfs/dbraw/zinc/56/09/67/1033560967.db2.gz IPCUKIJSITZSJL-IBGZPJMESA-N 1 1 310.397 3.542 20 30 DHEDMO CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccoc1 ZINC000878036278 1033560973 /nfs/dbraw/zinc/56/09/73/1033560973.db2.gz IPCUKIJSITZSJL-IBGZPJMESA-N 1 1 310.397 3.542 20 30 DHEDMO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000878094410 1033576999 /nfs/dbraw/zinc/57/69/99/1033576999.db2.gz UIUDHMYLHXEJBN-ZDUSSCGKSA-N 1 1 306.837 3.873 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H](c2ccco2)C1)c1ccccc1 ZINC000878094759 1033577535 /nfs/dbraw/zinc/57/75/35/1033577535.db2.gz YDPLODZJHIPXAM-YLJYHZDGSA-N 1 1 322.408 3.510 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCCC(C)(C)CC1)c1ccccc1 ZINC000878132435 1033591815 /nfs/dbraw/zinc/59/18/15/1033591815.db2.gz VFIWPVMWLHMJBF-FQEVSTJZSA-N 1 1 312.457 3.939 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC2(CCCC2)C1)c1ccccc1 ZINC000878149451 1033598141 /nfs/dbraw/zinc/59/81/41/1033598141.db2.gz OWEDIOOPUFVMOX-HXUWFJFHSA-N 1 1 310.441 3.693 20 30 DHEDMO C=C(C)C[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@@H]21 ZINC000479113895 1033657798 /nfs/dbraw/zinc/65/77/98/1033657798.db2.gz FDMJGFUKRQNOME-DZVNLGKHSA-N 1 1 306.494 3.746 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](CC)C1)[C@H]2CC ZINC001173284358 1033677186 /nfs/dbraw/zinc/67/71/86/1033677186.db2.gz ZEKUXQKGOQYUEI-XSYGEPLQSA-N 1 1 318.505 3.987 20 30 DHEDMO C=CCOC1CCC([N@@H+](C)CC/C=C/c2cccnc2)CC1 ZINC001173322471 1033685253 /nfs/dbraw/zinc/68/52/53/1033685253.db2.gz FCYDYHLXTCIFJI-QPJJXVBHSA-N 1 1 300.446 3.931 20 30 DHEDMO CCOC(=O)C[N@@H+](Cc1ccccc1)C1CCC(CC#N)CC1 ZINC001173330559 1033688034 /nfs/dbraw/zinc/68/80/34/1033688034.db2.gz CPUXNYFYPWGEPE-UHFFFAOYSA-N 1 1 314.429 3.524 20 30 DHEDMO C=CCOC1CCC(N2CC[NH+](CCCCCC)CC2)CC1 ZINC001173327669 1033688959 /nfs/dbraw/zinc/68/89/59/1033688959.db2.gz QSIZPQCSNZXRQB-UHFFFAOYSA-N 1 1 308.510 3.698 20 30 DHEDMO CCCCCCCCOC(=O)C[NH2+]C1CCC(CC#N)CC1 ZINC001173328795 1033689208 /nfs/dbraw/zinc/68/92/08/1033689208.db2.gz ODYBBACFLSVBOS-UHFFFAOYSA-N 1 1 308.466 3.952 20 30 DHEDMO N#CCC1CCC([N@@H+]2CCn3cc(-c4ccccc4)nc3C2)CC1 ZINC001173336973 1033692321 /nfs/dbraw/zinc/69/23/21/1033692321.db2.gz TUTJPQCWFFFAOF-UHFFFAOYSA-N 1 1 320.440 3.838 20 30 DHEDMO N#CCC1CCC([N@H+]2CCn3cc(-c4ccccc4)nc3C2)CC1 ZINC001173336973 1033692327 /nfs/dbraw/zinc/69/23/27/1033692327.db2.gz TUTJPQCWFFFAOF-UHFFFAOYSA-N 1 1 320.440 3.838 20 30 DHEDMO C=CCOC1CCC([NH2+]C2(C(=O)OC)CCC(CC)CC2)CC1 ZINC001173317521 1033711127 /nfs/dbraw/zinc/71/11/27/1033711127.db2.gz DWLAPSIDDRUSOQ-UHFFFAOYSA-N 1 1 323.477 3.602 20 30 DHEDMO C=CCOC1CCC([NH2+]C2CCN(CC(C)(C)C)CC2)CC1 ZINC001173316741 1033711275 /nfs/dbraw/zinc/71/12/75/1033711275.db2.gz MJWVLTXLIRDRON-UHFFFAOYSA-N 1 1 308.510 3.600 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cccnc3C3CC3)sc2C1 ZINC001212735066 1033754798 /nfs/dbraw/zinc/75/47/98/1033754798.db2.gz CBOLSKVNAOVMNF-UHFFFAOYSA-N 1 1 310.426 3.624 20 30 DHEDMO C#CCCCCC[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000878616680 1033769227 /nfs/dbraw/zinc/76/92/27/1033769227.db2.gz QIYYGFJXIOUEMK-HZPDHXFCSA-N 1 1 317.433 3.642 20 30 DHEDMO C#CCCCCC[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000878616680 1033769242 /nfs/dbraw/zinc/76/92/42/1033769242.db2.gz QIYYGFJXIOUEMK-HZPDHXFCSA-N 1 1 317.433 3.642 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001173597445 1033783527 /nfs/dbraw/zinc/78/35/27/1033783527.db2.gz UDYXSSOIJFLOGS-SKINQDTJSA-N 1 1 323.440 3.874 20 30 DHEDMO CN(C)c1cc(F)c(C[N@H+](C)Cc2ccc(C#N)cc2)cc1F ZINC000862221533 1033785119 /nfs/dbraw/zinc/78/51/19/1033785119.db2.gz XWNSTBUZXWKQID-UHFFFAOYSA-N 1 1 315.367 3.534 20 30 DHEDMO CN(C)c1cc(F)c(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1F ZINC000862221533 1033785133 /nfs/dbraw/zinc/78/51/33/1033785133.db2.gz XWNSTBUZXWKQID-UHFFFAOYSA-N 1 1 315.367 3.534 20 30 DHEDMO C=C1CC=C(F)C=C1[NH2+]C1CCC2(C[C@@H]2C(=O)OCC)CC1 ZINC001173604088 1033789312 /nfs/dbraw/zinc/78/93/12/1033789312.db2.gz LAAKFROIYJLGHM-SWKXRBFHSA-N 1 1 305.393 3.785 20 30 DHEDMO C#C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)cc1F ZINC000862365280 1033830209 /nfs/dbraw/zinc/83/02/09/1033830209.db2.gz OJKQPPNNCMDXON-CJNGLKHVSA-N 1 1 308.828 3.616 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+](Cc2cc(Br)cnc2Cl)C1 ZINC000862440656 1033856619 /nfs/dbraw/zinc/85/66/19/1033856619.db2.gz JPSGLIRJSCUKKF-SNVBAGLBSA-N 1 1 315.642 3.896 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(Br)cnc2Cl)C1 ZINC000862440656 1033856630 /nfs/dbraw/zinc/85/66/30/1033856630.db2.gz JPSGLIRJSCUKKF-SNVBAGLBSA-N 1 1 315.642 3.896 20 30 DHEDMO Cc1ccc([C@H](C)C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1 ZINC000862401816 1033841896 /nfs/dbraw/zinc/84/18/96/1033841896.db2.gz UDPZWAOMPNQMPH-UZLBHIALSA-N 1 1 308.425 3.636 20 30 DHEDMO C#CC[C@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000862442978 1033857158 /nfs/dbraw/zinc/85/71/58/1033857158.db2.gz JYUHCTPEZPZMQR-KRWDZBQOSA-N 1 1 306.409 3.506 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878915254 1033865382 /nfs/dbraw/zinc/86/53/82/1033865382.db2.gz RMNYKOWWUFHYQR-UYAOXDASSA-N 1 1 310.441 3.715 20 30 DHEDMO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000879024155 1033899656 /nfs/dbraw/zinc/89/96/56/1033899656.db2.gz IPNGDTRBUPBMSS-GOSISDBHSA-N 1 1 314.473 3.569 20 30 DHEDMO CCC(CC)c1cc(C[NH2+]Cc2ccc(OC)c(C#N)c2)on1 ZINC000174546407 1033941590 /nfs/dbraw/zinc/94/15/90/1033941590.db2.gz UXSADZIJBHXYCK-UHFFFAOYSA-N 1 1 313.401 3.748 20 30 DHEDMO CCCCCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000119240269 1033978833 /nfs/dbraw/zinc/97/88/33/1033978833.db2.gz PZGWUXXWWQIVJC-FUHWJXTLSA-N 1 1 306.494 3.822 20 30 DHEDMO C=CC(C)(C)CC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000879415313 1034011064 /nfs/dbraw/zinc/01/10/64/1034011064.db2.gz RQKPNWMYBGFJAT-WMZOPIPTSA-N 1 1 314.473 3.616 20 30 DHEDMO CCCCc1noc([C@@H](C)[N@H+](C)CCc2cccc(C#N)c2)n1 ZINC000879434938 1034017076 /nfs/dbraw/zinc/01/70/76/1034017076.db2.gz QRYXSKPJTAACSI-CQSZACIVSA-N 1 1 312.417 3.519 20 30 DHEDMO CCCCc1noc([C@@H](C)[N@@H+](C)CCc2cccc(C#N)c2)n1 ZINC000879434938 1034017090 /nfs/dbraw/zinc/01/70/90/1034017090.db2.gz QRYXSKPJTAACSI-CQSZACIVSA-N 1 1 312.417 3.519 20 30 DHEDMO COc1ccc([C@@H]2C[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)cc1 ZINC000879632840 1034063969 /nfs/dbraw/zinc/06/39/69/1034063969.db2.gz AQDWVHWIOIRTFT-YWZLYKJASA-N 1 1 322.408 3.701 20 30 DHEDMO COc1ccc([C@@H]2C[N@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)cc1 ZINC000879632840 1034063982 /nfs/dbraw/zinc/06/39/82/1034063982.db2.gz AQDWVHWIOIRTFT-YWZLYKJASA-N 1 1 322.408 3.701 20 30 DHEDMO CCN(CC)c1ccc(C=[NH+]NCCC(F)(F)F)cc1F ZINC000794546718 1034170455 /nfs/dbraw/zinc/17/04/55/1034170455.db2.gz VFYCUVBFQUNGIH-UHFFFAOYSA-N 1 1 305.319 3.548 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@@H](C#N)CCC#N ZINC000554552323 1034204480 /nfs/dbraw/zinc/20/44/80/1034204480.db2.gz SFNOAPUNEWUIMI-ZWKOTPCHSA-N 1 1 324.472 3.594 20 30 DHEDMO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CCCC(C)(C)C#N)CC2 ZINC000880091522 1034207494 /nfs/dbraw/zinc/20/74/94/1034207494.db2.gz YNPVGKBFCTZZQZ-CQSZACIVSA-N 1 1 316.445 3.953 20 30 DHEDMO C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)[C@H]1CC[C@@H](C#N)C1 ZINC000880124840 1034217942 /nfs/dbraw/zinc/21/79/42/1034217942.db2.gz OPJUTXHJBWMXRA-CVEARBPZSA-N 1 1 323.481 3.696 20 30 DHEDMO CC(C)(O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000880146981 1034223247 /nfs/dbraw/zinc/22/32/47/1034223247.db2.gz YWUWDYDJTTWXPE-IBGZPJMESA-N 1 1 320.436 3.818 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880277810 1034273878 /nfs/dbraw/zinc/27/38/78/1034273878.db2.gz PTZMFFOQVSVFRG-WBVHZDCISA-N 1 1 308.429 3.948 20 30 DHEDMO COc1cccc(C#N)c1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174396597 1034323969 /nfs/dbraw/zinc/32/39/69/1034323969.db2.gz JAKXRJVVDSKVHF-UHFFFAOYSA-N 1 1 319.408 3.769 20 30 DHEDMO C#CCC1(O)CC[NH+]([C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000880479560 1034342748 /nfs/dbraw/zinc/34/27/48/1034342748.db2.gz RVJGAQKWYXOXMZ-GFCCVEGCSA-N 1 1 312.240 3.905 20 30 DHEDMO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000183194722 1034361306 /nfs/dbraw/zinc/36/13/06/1034361306.db2.gz MJHMJZXQVUUCMM-JTDSTZFVSA-N 1 1 311.473 3.862 20 30 DHEDMO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000183194722 1034361312 /nfs/dbraw/zinc/36/13/12/1034361312.db2.gz MJHMJZXQVUUCMM-JTDSTZFVSA-N 1 1 311.473 3.862 20 30 DHEDMO C[C@@H]([NH2+][C@@H](C)CN1CCCCCC1)c1ccc(C#N)c(F)c1 ZINC000480702916 1034402115 /nfs/dbraw/zinc/40/21/15/1034402115.db2.gz XDSMUGHFZJWBQK-LSDHHAIUSA-N 1 1 303.425 3.612 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OCc2ccccc2F)nc1)C1CC1 ZINC000480876399 1034491457 /nfs/dbraw/zinc/49/14/57/1034491457.db2.gz JBMRTFQHYBJYPT-UHFFFAOYSA-N 1 1 312.388 3.950 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1cc(C)c(Cl)cc1OC)C(C)(C)C ZINC001174641777 1034524389 /nfs/dbraw/zinc/52/43/89/1034524389.db2.gz MGVBOQBWSJIMNS-UHFFFAOYSA-N 1 1 324.852 3.882 20 30 DHEDMO N#CC1(CCC[N@H+]2CCc3sc(Cl)cc3C2)CCOCC1 ZINC000567584969 1034528112 /nfs/dbraw/zinc/52/81/12/1034528112.db2.gz IFQVPXPQJLCNAU-UHFFFAOYSA-N 1 1 324.877 3.860 20 30 DHEDMO N#CC1(CCC[N@@H+]2CCc3sc(Cl)cc3C2)CCOCC1 ZINC000567584969 1034528126 /nfs/dbraw/zinc/52/81/26/1034528126.db2.gz IFQVPXPQJLCNAU-UHFFFAOYSA-N 1 1 324.877 3.860 20 30 DHEDMO C#CC[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccccc1 ZINC000773406590 1034606612 /nfs/dbraw/zinc/60/66/12/1034606612.db2.gz VHVHIMXACDQALG-FQEVSTJZSA-N 1 1 301.393 3.727 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000481214343 1034664343 /nfs/dbraw/zinc/66/43/43/1034664343.db2.gz UYXNSGVKBXWQMA-HOTGVXAUSA-N 1 1 310.441 3.913 20 30 DHEDMO Cc1cnc(CC[N@@H+](C)Cc2ccc(Cl)cc2C#N)s1 ZINC000187329529 1034701831 /nfs/dbraw/zinc/70/18/31/1034701831.db2.gz LNJMUMKIILCOIH-UHFFFAOYSA-N 1 1 305.834 3.651 20 30 DHEDMO Cc1cnc(CC[N@H+](C)Cc2ccc(Cl)cc2C#N)s1 ZINC000187329529 1034701841 /nfs/dbraw/zinc/70/18/41/1034701841.db2.gz LNJMUMKIILCOIH-UHFFFAOYSA-N 1 1 305.834 3.651 20 30 DHEDMO C=CCOc1c(Cl)cc(C[NH2+]CC2(C#N)CCC2)cc1OC ZINC000600165951 1034786580 /nfs/dbraw/zinc/78/65/80/1034786580.db2.gz ZGOJYDZUVFXXGZ-UHFFFAOYSA-N 1 1 320.820 3.697 20 30 DHEDMO CCOc1cccc(C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000600215163 1034817357 /nfs/dbraw/zinc/81/73/57/1034817357.db2.gz ZMIBVMLEJRCICY-UHFFFAOYSA-N 1 1 306.409 3.710 20 30 DHEDMO COc1ccc(C#N)c(NC2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001175506067 1035015459 /nfs/dbraw/zinc/01/54/59/1035015459.db2.gz MOVNRAARYRGRBX-UHFFFAOYSA-N 1 1 319.408 3.769 20 30 DHEDMO COc1cccc(C#N)c1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175505469 1035016808 /nfs/dbraw/zinc/01/68/08/1035016808.db2.gz DDNMXWKOEHEPFI-UHFFFAOYSA-N 1 1 319.408 3.769 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001175532459 1035029965 /nfs/dbraw/zinc/02/99/65/1035029965.db2.gz PAJIYWPDSOKBMM-NHCUHLMSSA-N 1 1 320.436 3.953 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001175578030 1035048891 /nfs/dbraw/zinc/04/88/91/1035048891.db2.gz LZNJQMVXOWZIMG-CVEARBPZSA-N 1 1 308.466 3.674 20 30 DHEDMO C=CC(C)(C)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000448706647 1035067146 /nfs/dbraw/zinc/06/71/46/1035067146.db2.gz ZXNITBKHDUVGSH-MRXNPFEDSA-N 1 1 314.473 3.889 20 30 DHEDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000482560019 1035135032 /nfs/dbraw/zinc/13/50/32/1035135032.db2.gz SPHLQUZCEIGEHZ-QGZVFWFLSA-N 1 1 300.402 3.922 20 30 DHEDMO COc1cc(Cl)ccc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000482659033 1035157312 /nfs/dbraw/zinc/15/73/12/1035157312.db2.gz SAMWBTNWYAUHMT-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO COc1cc(Cl)ccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000482659033 1035157315 /nfs/dbraw/zinc/15/73/15/1035157315.db2.gz SAMWBTNWYAUHMT-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO CCOC(=O)[C@@H](CCCC(C)C)[NH2+]CC1CCC(C#N)CC1 ZINC001176007968 1035183520 /nfs/dbraw/zinc/18/35/20/1035183520.db2.gz DBGVUUOCGDGAHN-OFLPRAFFSA-N 1 1 308.466 3.664 20 30 DHEDMO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(F)c(C#N)c1 ZINC000160589718 1035210336 /nfs/dbraw/zinc/21/03/36/1035210336.db2.gz MPCHUOHSDUVBOY-UHFFFAOYSA-N 1 1 320.371 3.515 20 30 DHEDMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(F)c(C#N)c1 ZINC000160589718 1035210342 /nfs/dbraw/zinc/21/03/42/1035210342.db2.gz MPCHUOHSDUVBOY-UHFFFAOYSA-N 1 1 320.371 3.515 20 30 DHEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1N1CCCC1 ZINC000160588435 1035210493 /nfs/dbraw/zinc/21/04/93/1035210493.db2.gz UKAXINPRNIZKLW-UHFFFAOYSA-N 1 1 323.415 3.930 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000483109337 1035229103 /nfs/dbraw/zinc/22/91/03/1035229103.db2.gz JWTGFKRPJGVFRD-KRWDZBQOSA-N 1 1 310.372 3.566 20 30 DHEDMO Cn1cc(C[N@@H+]2CCc3ccc(C(C)(C)C)cc3C2)cc1C#N ZINC000483308612 1035256282 /nfs/dbraw/zinc/25/62/82/1035256282.db2.gz OEDSBFCXVASZLD-UHFFFAOYSA-N 1 1 307.441 3.753 20 30 DHEDMO Cn1cc(C[N@H+]2CCc3ccc(C(C)(C)C)cc3C2)cc1C#N ZINC000483308612 1035256285 /nfs/dbraw/zinc/25/62/85/1035256285.db2.gz OEDSBFCXVASZLD-UHFFFAOYSA-N 1 1 307.441 3.753 20 30 DHEDMO Cc1ccc(C=CNc2sc3c(c2C#N)CC[N@H+](C)C3)cc1 ZINC001176423559 1035270330 /nfs/dbraw/zinc/27/03/30/1035270330.db2.gz AMTOZJYJPHFPAL-VQHVLOKHSA-N 1 1 309.438 3.999 20 30 DHEDMO C#CC[N@@H+](Cc1cnc(Cl)cn1)[C@H]1CCCc2ccccc21 ZINC001176453663 1035271766 /nfs/dbraw/zinc/27/17/66/1035271766.db2.gz XHKJNRKYCUKCQH-KRWDZBQOSA-N 1 1 311.816 3.643 20 30 DHEDMO C#CC[N@H+](Cc1cnc(Cl)cn1)[C@H]1CCCc2ccccc21 ZINC001176453663 1035271774 /nfs/dbraw/zinc/27/17/74/1035271774.db2.gz XHKJNRKYCUKCQH-KRWDZBQOSA-N 1 1 311.816 3.643 20 30 DHEDMO C[N@@H+](CCOc1cccc(Cl)c1)Cc1ccc(C#N)c(F)c1 ZINC000483541177 1035277117 /nfs/dbraw/zinc/27/71/17/1035277117.db2.gz SEYATECOPJFKLG-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC#Cc2ccccc2)c1 ZINC000483536495 1035278231 /nfs/dbraw/zinc/27/82/31/1035278231.db2.gz ZTMDWEVJPWLEKY-HXUWFJFHSA-N 1 1 321.420 3.892 20 30 DHEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC#Cc2ccccc2)c1 ZINC000483536495 1035278236 /nfs/dbraw/zinc/27/82/36/1035278236.db2.gz ZTMDWEVJPWLEKY-HXUWFJFHSA-N 1 1 321.420 3.892 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCSC[C@H]1C1CC1 ZINC001176642150 1035306268 /nfs/dbraw/zinc/30/62/68/1035306268.db2.gz WZSFWEFYTAWHKU-INIZCTEOSA-N 1 1 306.862 3.929 20 30 DHEDMO CC(C)[C@@H](CO)[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000483952084 1035310943 /nfs/dbraw/zinc/31/09/43/1035310943.db2.gz GYUOMHDVKVDOOG-OAQYLSRUSA-N 1 1 307.437 3.557 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000483975958 1035312302 /nfs/dbraw/zinc/31/23/02/1035312302.db2.gz IKTVBMCRXBYRSJ-CGTJXYLNSA-N 1 1 316.420 3.723 20 30 DHEDMO C=CCCCCC[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001176744930 1035321944 /nfs/dbraw/zinc/32/19/44/1035321944.db2.gz QFOCGKVHSAMEPG-IAGOWNOFSA-N 1 1 322.493 3.922 20 30 DHEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC001176771746 1035330415 /nfs/dbraw/zinc/33/04/15/1035330415.db2.gz TZPJVUAHVKKWJY-HNNXBMFYSA-N 1 1 313.397 3.738 20 30 DHEDMO C#CCCCCC(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000773595199 1035331270 /nfs/dbraw/zinc/33/12/70/1035331270.db2.gz UUBDLGXNPNOOEX-UHFFFAOYSA-N 1 1 318.505 3.541 20 30 DHEDMO C#C[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001176832342 1035332033 /nfs/dbraw/zinc/33/20/33/1035332033.db2.gz AHRQLAQCVCLLRM-YQQAZPJKSA-N 1 1 323.358 3.656 20 30 DHEDMO Cc1cccnc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001176899367 1035337788 /nfs/dbraw/zinc/33/77/88/1035337788.db2.gz ZCMUQKNNIWRIIF-LBPRGKRZSA-N 1 1 317.339 3.714 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C3CCCC3)C2)cc1 ZINC001176941101 1035339225 /nfs/dbraw/zinc/33/92/25/1035339225.db2.gz XSVXSUNZDFUAFI-IBGZPJMESA-N 1 1 324.468 3.899 20 30 DHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CC=CC34CCCCC4)o2)c1 ZINC001176995161 1035342694 /nfs/dbraw/zinc/34/26/94/1035342694.db2.gz ICKJYFNDEWAOKB-UHFFFAOYSA-N 1 1 320.396 3.683 20 30 DHEDMO C=C(CC)C[N@H+]1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001177023061 1035344060 /nfs/dbraw/zinc/34/40/60/1035344060.db2.gz ZLTTTWSNSKSOSC-LPHOPBHVSA-N 1 1 322.493 3.970 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC1CCCCC1 ZINC000484540902 1035358786 /nfs/dbraw/zinc/35/87/86/1035358786.db2.gz ILLQCFYSKLBQBT-UHFFFAOYSA-N 1 1 311.429 3.565 20 30 DHEDMO C[C@@H](C#N)c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)cc1 ZINC001177621457 1035385060 /nfs/dbraw/zinc/38/50/60/1035385060.db2.gz CDTSUJRGUMLMIX-KBXCAEBGSA-N 1 1 323.396 3.510 20 30 DHEDMO C[C@@H](C#N)c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccco2)cc1 ZINC001177621457 1035385062 /nfs/dbraw/zinc/38/50/62/1035385062.db2.gz CDTSUJRGUMLMIX-KBXCAEBGSA-N 1 1 323.396 3.510 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(COCC)cc2)no1 ZINC000904564150 1035429614 /nfs/dbraw/zinc/42/96/14/1035429614.db2.gz OLHAHQHTVRTPMN-HNNXBMFYSA-N 1 1 301.390 3.629 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(OC(C)C)cc2)no1 ZINC000904567759 1035430543 /nfs/dbraw/zinc/43/05/43/1035430543.db2.gz MWYKPDUAQVNISW-OAHLLOKOSA-N 1 1 301.390 3.880 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H](OCC)c2ccccc2)no1 ZINC000904700250 1035445204 /nfs/dbraw/zinc/44/52/04/1035445204.db2.gz LDZCAGIDEMVMJI-GJZGRUSLSA-N 1 1 301.390 3.552 20 30 DHEDMO CC(C)([NH2+]Cc1cc(F)cc(F)c1O)c1cccc(C#N)c1 ZINC001179139475 1035466571 /nfs/dbraw/zinc/46/65/71/1035466571.db2.gz IZASKDOGGCOHAZ-UHFFFAOYSA-N 1 1 302.324 3.567 20 30 DHEDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2csc(C#N)c2)cc1 ZINC001180081973 1035588428 /nfs/dbraw/zinc/58/84/28/1035588428.db2.gz PCHGCOWDABSAKE-AWEZNQCLSA-N 1 1 314.454 3.939 20 30 DHEDMO COCc1c(C)cc(C)c(C[N@H+](C[C@@H](C)C#N)C2CC2)c1C ZINC001180136798 1035595323 /nfs/dbraw/zinc/59/53/23/1035595323.db2.gz MTECTPXCRGNFPF-ZDUSSCGKSA-N 1 1 300.446 3.882 20 30 DHEDMO COCc1c(C)cc(C)c(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1C ZINC001180136798 1035595335 /nfs/dbraw/zinc/59/53/35/1035595335.db2.gz MTECTPXCRGNFPF-ZDUSSCGKSA-N 1 1 300.446 3.882 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(C3CC3)c2)c1 ZINC001180161369 1035613191 /nfs/dbraw/zinc/61/31/91/1035613191.db2.gz DBAPJWXQTYCRNX-UHFFFAOYSA-N 1 1 318.420 3.616 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(C3CC3)c2)c1 ZINC001180161369 1035613204 /nfs/dbraw/zinc/61/32/04/1035613204.db2.gz DBAPJWXQTYCRNX-UHFFFAOYSA-N 1 1 318.420 3.616 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCS[C@H](CC)C1 ZINC001180198904 1035627723 /nfs/dbraw/zinc/62/77/23/1035627723.db2.gz LPJRKMLVYMGKEQ-CYBMUJFWSA-N 1 1 309.862 3.679 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCS[C@H](CC)C1 ZINC001180198904 1035627725 /nfs/dbraw/zinc/62/77/25/1035627725.db2.gz LPJRKMLVYMGKEQ-CYBMUJFWSA-N 1 1 309.862 3.679 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3OC)nc2)C1 ZINC000668493095 1035667431 /nfs/dbraw/zinc/66/74/31/1035667431.db2.gz KGEDTTFLNUBAPS-MRXNPFEDSA-N 1 1 323.440 3.940 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000668494074 1035669693 /nfs/dbraw/zinc/66/96/93/1035669693.db2.gz VNEVNWXHFHTXDL-KRWDZBQOSA-N 1 1 310.445 3.672 20 30 DHEDMO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)ccc1C#N ZINC000442802547 1035679895 /nfs/dbraw/zinc/67/98/95/1035679895.db2.gz QABCLPFMACNQQB-FOIQADDNSA-N 1 1 322.408 3.529 20 30 DHEDMO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)ccc1C#N ZINC000442802547 1035679906 /nfs/dbraw/zinc/67/99/06/1035679906.db2.gz QABCLPFMACNQQB-FOIQADDNSA-N 1 1 322.408 3.529 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)ccc1C#N ZINC000442893819 1035694117 /nfs/dbraw/zinc/69/41/17/1035694117.db2.gz YCQZMVUYVLFTGE-QGZVFWFLSA-N 1 1 324.399 3.771 20 30 DHEDMO COc1cc(C[N@@H+](CCc2cccc(F)c2)C2CC2)ccc1C#N ZINC000442884174 1035694278 /nfs/dbraw/zinc/69/42/78/1035694278.db2.gz XHGLPXQYDLZLFR-UHFFFAOYSA-N 1 1 324.399 3.913 20 30 DHEDMO C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cccc(C#N)n1 ZINC001180566726 1035721244 /nfs/dbraw/zinc/72/12/44/1035721244.db2.gz SXUAEYHBTQOYLD-UHFFFAOYSA-N 1 1 306.196 3.892 20 30 DHEDMO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cccc(C#N)n1 ZINC001180566726 1035721263 /nfs/dbraw/zinc/72/12/63/1035721263.db2.gz SXUAEYHBTQOYLD-UHFFFAOYSA-N 1 1 306.196 3.892 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)c(F)c1 ZINC000191938287 1035741324 /nfs/dbraw/zinc/74/13/24/1035741324.db2.gz LLMMYBHQHKDYPB-UHFFFAOYSA-N 1 1 307.372 3.981 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)C2CCCCC2)cc1 ZINC001193817297 1035741447 /nfs/dbraw/zinc/74/14/47/1035741447.db2.gz BHANSTDVUWBHFG-INIZCTEOSA-N 1 1 312.457 3.897 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2CC#Cc2ccccc2)cc1OC ZINC000191879720 1035743254 /nfs/dbraw/zinc/74/32/54/1035743254.db2.gz KONCNQSRMUHGMJ-IBGZPJMESA-N 1 1 321.420 3.892 20 30 DHEDMO C=CC[N@@H+](C)CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000494648662 1035757867 /nfs/dbraw/zinc/75/78/67/1035757867.db2.gz PDFSBUDGYLNAKM-UHFFFAOYSA-N 1 1 318.436 3.605 20 30 DHEDMO C=CC[N@H+](C)CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000494648662 1035757878 /nfs/dbraw/zinc/75/78/78/1035757878.db2.gz PDFSBUDGYLNAKM-UHFFFAOYSA-N 1 1 318.436 3.605 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2nc3ccc(OC)nc3[nH]2)CCCC1(C)C ZINC001193919906 1035771540 /nfs/dbraw/zinc/77/15/40/1035771540.db2.gz GPQAUKMJEOTXBD-AWEZNQCLSA-N 1 1 314.433 3.533 20 30 DHEDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001194020633 1035803454 /nfs/dbraw/zinc/80/34/54/1035803454.db2.gz MDADTHXJJKNOAM-KRWDZBQOSA-N 1 1 306.837 3.585 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)c1c(C)[nH]c2ccccc21 ZINC000491271320 1035808058 /nfs/dbraw/zinc/80/80/58/1035808058.db2.gz NXFMQKQQBXPSNT-UHFFFAOYSA-N 1 1 322.408 3.983 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)CC(=O)c1c(C)[nH]c2ccccc21 ZINC000491271320 1035808074 /nfs/dbraw/zinc/80/80/74/1035808074.db2.gz NXFMQKQQBXPSNT-UHFFFAOYSA-N 1 1 322.408 3.983 20 30 DHEDMO CCCCCCC[C@H](C)C(=O)NC1CC[NH+](CCF)CC1 ZINC001181133244 1035845362 /nfs/dbraw/zinc/84/53/62/1035845362.db2.gz QKUUDYXKKSUVDY-HNNXBMFYSA-N 1 1 300.462 3.533 20 30 DHEDMO C=CC[C@@H](NC(=O)CC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001181141387 1035848843 /nfs/dbraw/zinc/84/88/43/1035848843.db2.gz KWWVBSZBWPHHPX-HXUWFJFHSA-N 1 1 322.452 3.942 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](C)COCc1ccccc1 ZINC001194163506 1035853989 /nfs/dbraw/zinc/85/39/89/1035853989.db2.gz HWCLIKYDJBTFIM-LJQANCHMSA-N 1 1 307.437 3.975 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC001181314473 1035890846 /nfs/dbraw/zinc/89/08/46/1035890846.db2.gz FYVWXFDWTIQBJG-SFHVURJKSA-N 1 1 324.424 3.912 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCc2ccc(F)cc2)C2CC2)s1 ZINC000539832180 1035891925 /nfs/dbraw/zinc/89/19/25/1035891925.db2.gz LNNYEUONJCMXTK-UHFFFAOYSA-N 1 1 300.402 3.966 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CCO[C@H](c3cccs3)C2)CCC1 ZINC000929832197 1035968375 /nfs/dbraw/zinc/96/83/75/1035968375.db2.gz CHKDZUKNRYABRE-HNNXBMFYSA-N 1 1 304.459 3.986 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCO[C@H](c3cccs3)C2)CCC1 ZINC000929832197 1035968384 /nfs/dbraw/zinc/96/83/84/1035968384.db2.gz CHKDZUKNRYABRE-HNNXBMFYSA-N 1 1 304.459 3.986 20 30 DHEDMO C=CCCn1cc(C[N@@H+]2CCC[C@](C)(c3ccccc3)CC2)nn1 ZINC001181698249 1035975344 /nfs/dbraw/zinc/97/53/44/1035975344.db2.gz RLWASPVWCYTKOK-FQEVSTJZSA-N 1 1 324.472 3.798 20 30 DHEDMO C=CCC[C@H]([NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1)C(=O)OCC ZINC001181826728 1036008458 /nfs/dbraw/zinc/00/84/58/1036008458.db2.gz GRHDCJQLVMFQGB-MPGHIAIKSA-N 1 1 319.445 3.675 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(F)cc2C#N)C1 ZINC000540296670 1036031198 /nfs/dbraw/zinc/03/11/98/1036031198.db2.gz ANOQQLCNMKVFRI-KSSFIOAISA-N 1 1 309.388 3.945 20 30 DHEDMO C=CCN(Cc1ccccc1)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648731338 1036086940 /nfs/dbraw/zinc/08/69/40/1036086940.db2.gz QSUDNTLHYOUPGO-INIZCTEOSA-N 1 1 311.429 3.611 20 30 DHEDMO Cc1cccc(C)c1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761758000 1036089066 /nfs/dbraw/zinc/08/90/66/1036089066.db2.gz OMNFWRVZAFZULU-HXUWFJFHSA-N 1 1 306.409 3.749 20 30 DHEDMO C=CC[N@H+](C/C=C/c1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000494973033 1036154459 /nfs/dbraw/zinc/15/44/59/1036154459.db2.gz AVHLSLYGGQHUGY-GQCTYLIASA-N 1 1 309.369 3.691 20 30 DHEDMO C=CC[N@@H+](C/C=C/c1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000494973033 1036154508 /nfs/dbraw/zinc/15/45/08/1036154508.db2.gz AVHLSLYGGQHUGY-GQCTYLIASA-N 1 1 309.369 3.691 20 30 DHEDMO Cc1[nH+]c(C=NN=c2ccc3ccccc3[nH]2)c2ccccn12 ZINC000914601562 1036155792 /nfs/dbraw/zinc/15/57/92/1036155792.db2.gz WTTLULDQCVXORQ-UHFFFAOYSA-N 1 1 301.353 3.637 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595503448 1036208087 /nfs/dbraw/zinc/20/80/87/1036208087.db2.gz VSQRUIBBTOZTAN-OAHLLOKOSA-N 1 1 311.816 3.986 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595503448 1036208107 /nfs/dbraw/zinc/20/81/07/1036208107.db2.gz VSQRUIBBTOZTAN-OAHLLOKOSA-N 1 1 311.816 3.986 20 30 DHEDMO C=C(C)COCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774258909 1036263356 /nfs/dbraw/zinc/26/33/56/1036263356.db2.gz UORXMAWBCITHJR-SNVBAGLBSA-N 1 1 304.217 3.942 20 30 DHEDMO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774269795 1036268146 /nfs/dbraw/zinc/26/81/46/1036268146.db2.gz CLEYCXCFYBPCLD-UWVGGRQHSA-N 1 1 304.217 3.534 20 30 DHEDMO C=CC[C@H](CC)NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000541239516 1036271122 /nfs/dbraw/zinc/27/11/22/1036271122.db2.gz JJWRHXXJHPLSJY-WMZOPIPTSA-N 1 1 317.477 3.551 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000541390019 1036314107 /nfs/dbraw/zinc/31/41/07/1036314107.db2.gz UCZQYWSYAFRBMO-GOSISDBHSA-N 1 1 306.409 3.865 20 30 DHEDMO C=CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1ccco1 ZINC000495182110 1036320953 /nfs/dbraw/zinc/32/09/53/1036320953.db2.gz GONBWUJYRGVHDQ-YVMONPNESA-N 1 1 312.369 3.932 20 30 DHEDMO CCCCC[C@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000486812934 1036418364 /nfs/dbraw/zinc/41/83/64/1036418364.db2.gz PJEHGGNVTVDCQP-AWEZNQCLSA-N 1 1 305.447 3.603 20 30 DHEDMO CCCCC[C@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000486812934 1036418374 /nfs/dbraw/zinc/41/83/74/1036418374.db2.gz PJEHGGNVTVDCQP-AWEZNQCLSA-N 1 1 305.447 3.603 20 30 DHEDMO C[C@@H](C#N)C[NH2+]Cc1cccc(OCCCc2ccccc2)c1 ZINC000541764230 1036421335 /nfs/dbraw/zinc/42/13/35/1036421335.db2.gz WDFPYQLIRRNGBQ-KRWDZBQOSA-N 1 1 308.425 3.947 20 30 DHEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H](C)C#N)o1 ZINC000541764009 1036423311 /nfs/dbraw/zinc/42/33/11/1036423311.db2.gz JLHKJPLCFNMVOL-CQSZACIVSA-N 1 1 320.396 3.690 20 30 DHEDMO C=C(C)COc1cccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000495278126 1036435887 /nfs/dbraw/zinc/43/58/87/1036435887.db2.gz NGVHBHHDTIIKNI-QGZVFWFLSA-N 1 1 316.445 3.845 20 30 DHEDMO COc1cccc([C@@]2(C)CC[N@@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001196142810 1036451369 /nfs/dbraw/zinc/45/13/69/1036451369.db2.gz SIAIUQKGRVYMJL-NRFANRHFSA-N 1 1 323.411 3.849 20 30 DHEDMO CC#CCCCCCCCC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001182771467 1036454342 /nfs/dbraw/zinc/45/43/42/1036454342.db2.gz AHXJVLIJSMFSPA-OALUTQOASA-N 1 1 320.521 3.975 20 30 DHEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000301313578 1036462457 /nfs/dbraw/zinc/46/24/57/1036462457.db2.gz FMMUKFZITFWFEA-QGZVFWFLSA-N 1 1 305.462 3.622 20 30 DHEDMO C#CCCCCCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001196219041 1036476536 /nfs/dbraw/zinc/47/65/36/1036476536.db2.gz UUUJCMHKMKDORT-SJORKVTESA-N 1 1 307.478 3.870 20 30 DHEDMO COc1cccc([C@]2(C)CC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC001182902601 1036479891 /nfs/dbraw/zinc/47/98/91/1036479891.db2.gz OBWZOJVZAKTARL-OAQYLSRUSA-N 1 1 305.421 3.710 20 30 DHEDMO CC(C)CCO[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001196518636 1036555054 /nfs/dbraw/zinc/55/50/54/1036555054.db2.gz ORJFQYSVPGBLBQ-QGZVFWFLSA-N 1 1 305.849 3.829 20 30 DHEDMO CC(C)CCO[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001196518636 1036555067 /nfs/dbraw/zinc/55/50/67/1036555067.db2.gz ORJFQYSVPGBLBQ-QGZVFWFLSA-N 1 1 305.849 3.829 20 30 DHEDMO CCc1ccccc1N[NH+]=Cc1ccc(N2CCOCC2)s1 ZINC000915051686 1036588261 /nfs/dbraw/zinc/58/82/61/1036588261.db2.gz NFBDZRNNSIKQGD-UHFFFAOYSA-N 1 1 315.442 3.593 20 30 DHEDMO CC[N@@H+](CCNc1c(F)cc(C#N)cc1F)CCC(F)(F)F ZINC000491599606 1036612647 /nfs/dbraw/zinc/61/26/47/1036612647.db2.gz SPZRKNOMTCMKFM-UHFFFAOYSA-N 1 1 321.293 3.523 20 30 DHEDMO Cc1cc(Br)c2c(c1)CC[N@@H+]([C@@H](C)CCC#N)C2 ZINC001196869766 1036637528 /nfs/dbraw/zinc/63/75/28/1036637528.db2.gz RFIGXLAVXIFPON-LBPRGKRZSA-N 1 1 307.235 3.808 20 30 DHEDMO Cc1cc(Br)c2c(c1)CC[N@H+]([C@@H](C)CCC#N)C2 ZINC001196869766 1036637533 /nfs/dbraw/zinc/63/75/33/1036637533.db2.gz RFIGXLAVXIFPON-LBPRGKRZSA-N 1 1 307.235 3.808 20 30 DHEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1O ZINC000495453632 1036658295 /nfs/dbraw/zinc/65/82/95/1036658295.db2.gz DPCSQXOAJBGWTJ-ROUUACIJSA-N 1 1 314.473 3.717 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000153296228 1036718988 /nfs/dbraw/zinc/71/89/88/1036718988.db2.gz HRIQDHARDZNUBD-GFCCVEGCSA-N 1 1 324.350 3.504 20 30 DHEDMO CC(C)(C)OC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC001197629068 1036812271 /nfs/dbraw/zinc/81/22/71/1036812271.db2.gz ATRLEMHQHCLDBR-MRXNPFEDSA-N 1 1 306.837 3.991 20 30 DHEDMO CC(C)(C)OC[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC001197629068 1036812292 /nfs/dbraw/zinc/81/22/92/1036812292.db2.gz ATRLEMHQHCLDBR-MRXNPFEDSA-N 1 1 306.837 3.991 20 30 DHEDMO CCC[N@@H+](C)CC(C)(C)Nc1nc(C(F)(F)F)ccc1C#N ZINC000596539621 1036863713 /nfs/dbraw/zinc/86/37/13/1036863713.db2.gz AAVMPOZROIAUHH-UHFFFAOYSA-N 1 1 314.355 3.504 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000492465654 1036883519 /nfs/dbraw/zinc/88/35/19/1036883519.db2.gz PAWGAGIWFJANJO-UHFFFAOYSA-N 1 1 314.816 3.895 20 30 DHEDMO C[C@@H]1CSCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000488229027 1036913859 /nfs/dbraw/zinc/91/38/59/1036913859.db2.gz ZBCFOXHMRONQQY-ZDUSSCGKSA-N 1 1 313.388 3.742 20 30 DHEDMO CC(C)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492630541 1036947370 /nfs/dbraw/zinc/94/73/70/1036947370.db2.gz NKNWDKIFLLBHJP-CYBMUJFWSA-N 1 1 307.235 3.799 20 30 DHEDMO Cc1cc(C[NH2+]Cc2nc3cc(Cl)ccc3n2C)ccc1C#N ZINC000443994175 1036975402 /nfs/dbraw/zinc/97/54/02/1036975402.db2.gz CQPBXUSPMFGOER-UHFFFAOYSA-N 1 1 324.815 3.697 20 30 DHEDMO C[C@@H](Cc1ccsc1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000081598153 1036988716 /nfs/dbraw/zinc/98/87/16/1036988716.db2.gz DHGQXCOOXNXAGM-AWEZNQCLSA-N 1 1 300.427 3.562 20 30 DHEDMO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC001198308241 1037000552 /nfs/dbraw/zinc/00/05/52/1037000552.db2.gz BCYMLRPPKNZDJB-GOSISDBHSA-N 1 1 306.450 3.514 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000488420842 1037005718 /nfs/dbraw/zinc/00/57/18/1037005718.db2.gz JHFCDRIABKGKME-GUDVDZBRSA-N 1 1 312.457 3.892 20 30 DHEDMO C[C@H](C#N)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000237421551 1037009611 /nfs/dbraw/zinc/00/96/11/1037009611.db2.gz BACJJTBZPQNDBI-MRXNPFEDSA-N 1 1 316.408 3.789 20 30 DHEDMO C[N@@H+](CCNc1ncc(C#N)c2ccsc21)C1CCCCC1 ZINC001185045944 1037017223 /nfs/dbraw/zinc/01/72/23/1037017223.db2.gz BVOLKJHZMHQLCL-UHFFFAOYSA-N 1 1 314.458 3.844 20 30 DHEDMO C=CCCC[N@H+](CC)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC001198458522 1037027061 /nfs/dbraw/zinc/02/70/61/1037027061.db2.gz SLAOHKBTLQCREU-QGZVFWFLSA-N 1 1 304.409 3.609 20 30 DHEDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000492844690 1037031226 /nfs/dbraw/zinc/03/12/26/1037031226.db2.gz DRYSKRDCHPTFCW-ABAIWWIYSA-N 1 1 307.235 3.941 20 30 DHEDMO C=C[C@H]1CCCCN1C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000488882578 1037169570 /nfs/dbraw/zinc/16/95/70/1037169570.db2.gz PJNQQSGEWNQSNV-SFHVURJKSA-N 1 1 312.457 3.852 20 30 DHEDMO Cc1cccc(OCC[N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000121545793 1037334815 /nfs/dbraw/zinc/33/48/15/1037334815.db2.gz AFGLZFHBVXTTAJ-QGZVFWFLSA-N 1 1 324.424 3.797 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)c(Cl)c1 ZINC000489422170 1037423788 /nfs/dbraw/zinc/42/37/88/1037423788.db2.gz FNGHOSLJIDIKBB-UHFFFAOYSA-N 1 1 304.821 3.604 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc2ccccc21 ZINC000489426901 1037425350 /nfs/dbraw/zinc/42/53/50/1037425350.db2.gz NDWMJUKDLXKLCU-ROUUACIJSA-N 1 1 311.425 3.620 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000489426301 1037425467 /nfs/dbraw/zinc/42/54/67/1037425467.db2.gz MSIMVVMMIWEZAE-CQSZACIVSA-N 1 1 303.793 3.931 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000489426301 1037425471 /nfs/dbraw/zinc/42/54/71/1037425471.db2.gz MSIMVVMMIWEZAE-CQSZACIVSA-N 1 1 303.793 3.931 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000489473158 1037450603 /nfs/dbraw/zinc/45/06/03/1037450603.db2.gz IMVPEQAYZFWMIA-GJZGRUSLSA-N 1 1 313.363 3.649 20 30 DHEDMO C=C(Cl)C[N@H+](CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000152620736 1037459639 /nfs/dbraw/zinc/45/96/39/1037459639.db2.gz LEAOOHMNWBIPEU-UHFFFAOYSA-N 1 1 316.873 3.850 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000489487046 1037461642 /nfs/dbraw/zinc/46/16/42/1037461642.db2.gz ZXRLXHGTVQFEGM-HKUYNNGSSA-N 1 1 301.430 3.785 20 30 DHEDMO C=CCCC[N@@H+]1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000490046448 1037592359 /nfs/dbraw/zinc/59/23/59/1037592359.db2.gz VRFLAWXTNFETPW-OAHLLOKOSA-N 1 1 304.434 3.546 20 30 DHEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@H+]1CCCC#N ZINC000493975634 1037603016 /nfs/dbraw/zinc/60/30/16/1037603016.db2.gz UPKXTRMYBBWXDS-HZPDHXFCSA-N 1 1 321.465 3.544 20 30 DHEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001201390911 1037649872 /nfs/dbraw/zinc/64/98/72/1037649872.db2.gz SXEBHDPFRVCDGC-LJQANCHMSA-N 1 1 320.477 3.677 20 30 DHEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)Cc1cccc2[nH]ccc21 ZINC000494138352 1037651838 /nfs/dbraw/zinc/65/18/38/1037651838.db2.gz YWOFCKJCGSDXSP-UHFFFAOYSA-N 1 1 314.392 3.924 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000490363125 1037690098 /nfs/dbraw/zinc/69/00/98/1037690098.db2.gz GBBXUGAFKTUONA-YWZLYKJASA-N 1 1 306.409 3.865 20 30 DHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000916152395 1037702650 /nfs/dbraw/zinc/70/26/50/1037702650.db2.gz QIQLHABNDKVERN-CABCVRRESA-N 1 1 319.408 3.505 20 30 DHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000916152395 1037702665 /nfs/dbraw/zinc/70/26/65/1037702665.db2.gz QIQLHABNDKVERN-CABCVRRESA-N 1 1 319.408 3.505 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@H]2C(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000490432013 1037709481 /nfs/dbraw/zinc/70/94/81/1037709481.db2.gz JFXGNWVAHDACOG-SFHVURJKSA-N 1 1 322.456 3.969 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CC(CC)CC)[C@@H]2CC ZINC001201526162 1037764944 /nfs/dbraw/zinc/76/49/44/1037764944.db2.gz RJWBMABHCJNJDY-MJGOQNOKSA-N 1 1 306.494 3.844 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000185089268 1037778594 /nfs/dbraw/zinc/77/85/94/1037778594.db2.gz JPMVQYONWBADMS-INIZCTEOSA-N 1 1 314.473 3.542 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000185239450 1037786200 /nfs/dbraw/zinc/78/62/00/1037786200.db2.gz TYZNLBNUQZOYHS-QGZVFWFLSA-N 1 1 306.494 3.703 20 30 DHEDMO CCCCCCCCCCCC[N@H+]1CC[C@@H](O)[C@](C)(CO)C1 ZINC001201631050 1037801857 /nfs/dbraw/zinc/80/18/57/1037801857.db2.gz LPPVNWIGKMZSPY-MOPGFXCFSA-N 1 1 313.526 3.973 20 30 DHEDMO CCC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)CC1CCCCC1 ZINC000763396125 1037820002 /nfs/dbraw/zinc/82/00/02/1037820002.db2.gz APLXEBOOWHCUFK-LJQANCHMSA-N 1 1 300.446 3.884 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000763410066 1037826251 /nfs/dbraw/zinc/82/62/51/1037826251.db2.gz YLIONOWSNZECIW-LEWJYISDSA-N 1 1 320.436 3.689 20 30 DHEDMO CC(C)C[C@H]1CCCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763410392 1037828455 /nfs/dbraw/zinc/82/84/55/1037828455.db2.gz KTQGQBNYMDUSER-MOPGFXCFSA-N 1 1 300.446 3.882 20 30 DHEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763412299 1037833172 /nfs/dbraw/zinc/83/31/72/1037833172.db2.gz WXDYQNZDEKOVCF-RTWAWAEBSA-N 1 1 320.436 3.607 20 30 DHEDMO N#CCCC[N@@H+](Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC000151391975 1037874294 /nfs/dbraw/zinc/87/42/94/1037874294.db2.gz GMQOHYNZQFOLJB-NRFANRHFSA-N 1 1 320.436 3.626 20 30 DHEDMO CCCCCCC[N@@H+]1CCc2nc(C(=O)OCC)sc2C1 ZINC001201798668 1037896627 /nfs/dbraw/zinc/89/66/27/1037896627.db2.gz YSZJDVGAJGGSQV-UHFFFAOYSA-N 1 1 310.463 3.648 20 30 DHEDMO CCCCCCC[N@H+]1CCc2nc(C(=O)OCC)sc2C1 ZINC001201798668 1037896640 /nfs/dbraw/zinc/89/66/40/1037896640.db2.gz YSZJDVGAJGGSQV-UHFFFAOYSA-N 1 1 310.463 3.648 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001201813458 1037899526 /nfs/dbraw/zinc/89/95/26/1037899526.db2.gz DOHGUMDNVIHECG-QZTJIDSGSA-N 1 1 308.510 3.926 20 30 DHEDMO CCCCCCC[N@H+]1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001201776626 1037904725 /nfs/dbraw/zinc/90/47/25/1037904725.db2.gz HITSFWQWGUTZJE-UHFFFAOYSA-N 1 1 319.493 3.675 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1CCSc1nc2c(cc1C#N)CCCC2 ZINC001188565374 1037920036 /nfs/dbraw/zinc/92/00/36/1037920036.db2.gz OEQUDUWBXBKIGM-MRXNPFEDSA-N 1 1 315.486 3.799 20 30 DHEDMO CCCCCCCCC[N@@H+]1Cc2ccnn2C[C@H](COC)C1 ZINC001201847067 1037921157 /nfs/dbraw/zinc/92/11/57/1037921157.db2.gz RFUZLUWGMCRVML-QGZVFWFLSA-N 1 1 307.482 3.712 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000775177969 1037921485 /nfs/dbraw/zinc/92/14/85/1037921485.db2.gz DVEPCPUYNQSGRO-LBPRGKRZSA-N 1 1 300.383 3.777 20 30 DHEDMO C=CC[N@H+](CCOc1ccccc1C(C)=O)Cc1ccccc1 ZINC000220336444 1037928158 /nfs/dbraw/zinc/92/81/58/1037928158.db2.gz QQCHPNYIRLPSRP-UHFFFAOYSA-N 1 1 309.409 3.956 20 30 DHEDMO CCC[N@H+](CCN1CCCC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000586779547 1037966708 /nfs/dbraw/zinc/96/67/08/1037966708.db2.gz OYCRJSQTFGVXAL-UHFFFAOYSA-N 1 1 313.489 3.796 20 30 DHEDMO CCC[N@@H+](CCN1CCCC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000586779547 1037966714 /nfs/dbraw/zinc/96/67/14/1037966714.db2.gz OYCRJSQTFGVXAL-UHFFFAOYSA-N 1 1 313.489 3.796 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2cccc(OCC(C)C)c2)CC1 ZINC000126551431 1038075862 /nfs/dbraw/zinc/07/58/62/1038075862.db2.gz YNKOMFYHMSVVJY-UHFFFAOYSA-N 1 1 316.489 3.852 20 30 DHEDMO CCOc1ccc(C[N@@H+](C)CCCOc2ccc(C#N)cc2)cc1 ZINC000917008680 1038113237 /nfs/dbraw/zinc/11/32/37/1038113237.db2.gz ODFPPKRWDAERKG-UHFFFAOYSA-N 1 1 324.424 3.858 20 30 DHEDMO C=CC[N@@H+](C[C@H](O)COc1ccc(C(C)(C)C)cc1)C(C)C ZINC000917069554 1038167013 /nfs/dbraw/zinc/16/70/13/1038167013.db2.gz RWFDCWHGMNMADY-KRWDZBQOSA-N 1 1 305.462 3.620 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@H](c1ccc(F)cc1)C(C)C)C(C)C ZINC000917068799 1038168068 /nfs/dbraw/zinc/16/80/68/1038168068.db2.gz BZBCFSZRWIRNAG-SFHVURJKSA-N 1 1 306.425 3.535 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)cc1OC ZINC000045004312 1038183466 /nfs/dbraw/zinc/18/34/66/1038183466.db2.gz ZNDBISQNCFGSTK-GOSISDBHSA-N 1 1 322.408 3.913 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)cc1OC ZINC000045004281 1038183951 /nfs/dbraw/zinc/18/39/51/1038183951.db2.gz NMZRZJHTNUNPBJ-SFHVURJKSA-N 1 1 322.408 3.913 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2C#N)cc1OC ZINC000045004281 1038183960 /nfs/dbraw/zinc/18/39/60/1038183960.db2.gz NMZRZJHTNUNPBJ-SFHVURJKSA-N 1 1 322.408 3.913 20 30 DHEDMO Cc1ccc(N2CCC[N@@H+](Cc3ccccc3C#N)CC2)cc1 ZINC000917087921 1038184632 /nfs/dbraw/zinc/18/46/32/1038184632.db2.gz ACJAMTBWQHDFBI-UHFFFAOYSA-N 1 1 305.425 3.579 20 30 DHEDMO CC[C@@H](C)[N@@H+](CC)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000595593038 1038205464 /nfs/dbraw/zinc/20/54/64/1038205464.db2.gz MNWSTZYFYOGYEY-CQSZACIVSA-N 1 1 321.852 3.707 20 30 DHEDMO C#CC[N@H+](CCOc1ccccc1OC)[C@@H]1CCc2ccccc21 ZINC000917118927 1038218927 /nfs/dbraw/zinc/21/89/27/1038218927.db2.gz KGMLHPSEZAMQDF-LJQANCHMSA-N 1 1 321.420 3.697 20 30 DHEDMO C=CCCC(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000588028600 1038220214 /nfs/dbraw/zinc/22/02/14/1038220214.db2.gz AIANTIYGPZSSBV-SFHVURJKSA-N 1 1 314.473 3.542 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2C)o1)[C@H]1CCCO1 ZINC000775342371 1038251614 /nfs/dbraw/zinc/25/16/14/1038251614.db2.gz QSBNZMGJHUPQKN-IEBWSBKVSA-N 1 1 313.372 3.665 20 30 DHEDMO C[N@@H+](Cc1ccnc(C#N)c1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000588212294 1038275630 /nfs/dbraw/zinc/27/56/30/1038275630.db2.gz PXBBNYUOJHODCM-OALUTQOASA-N 1 1 321.424 3.631 20 30 DHEDMO C=C(C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)cc1 ZINC001190239176 1038281752 /nfs/dbraw/zinc/28/17/52/1038281752.db2.gz PAFJOIXSTLGJKN-APWZRJJASA-N 1 1 314.473 3.654 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC001190550483 1038342142 /nfs/dbraw/zinc/34/21/42/1038342142.db2.gz KNPYHAMSQFDEKP-CEXWTWQISA-N 1 1 310.526 3.921 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC001190550486 1038344204 /nfs/dbraw/zinc/34/42/04/1038344204.db2.gz KNPYHAMSQFDEKP-OTWHNJEPSA-N 1 1 310.526 3.921 20 30 DHEDMO C#CC[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000775399682 1038355929 /nfs/dbraw/zinc/35/59/29/1038355929.db2.gz IODLXCACBOMBIZ-FQEVSTJZSA-N 1 1 319.383 3.866 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](CC)c1cccc(OC)c1 ZINC000572319791 1038359199 /nfs/dbraw/zinc/35/91/99/1038359199.db2.gz FILBVCBRPZZUGI-SFHVURJKSA-N 1 1 318.461 3.503 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)C[C@H](C)c2ccccc2)cc1 ZINC001190809970 1038381058 /nfs/dbraw/zinc/38/10/58/1038381058.db2.gz NTJQGMAPTNHAAQ-KRWDZBQOSA-N 1 1 320.436 3.732 20 30 DHEDMO CCCCCCCCNC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001191075283 1038432329 /nfs/dbraw/zinc/43/23/29/1038432329.db2.gz VAGUFCNCKLAPPW-BJWYYQGGSA-N 1 1 309.498 3.661 20 30 DHEDMO CCCCCCCCNC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001191081211 1038434193 /nfs/dbraw/zinc/43/41/93/1038434193.db2.gz IYPUQKIJYCVNHC-IRXDYDNUSA-N 1 1 311.514 3.765 20 30 DHEDMO CCC#C[C@H](C)[N@@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001191290122 1038480682 /nfs/dbraw/zinc/48/06/82/1038480682.db2.gz ZSVJXFZEMDMAAW-JKSUJKDBSA-N 1 1 310.482 3.660 20 30 DHEDMO CCOC1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000589495724 1038486682 /nfs/dbraw/zinc/48/66/82/1038486682.db2.gz DSMRSLOWAZRSED-UHFFFAOYSA-N 1 1 312.335 3.578 20 30 DHEDMO N#Cc1cncc(C[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)c1 ZINC001191408368 1038498931 /nfs/dbraw/zinc/49/89/31/1038498931.db2.gz ORWGBNVEGCYNMV-OAQYLSRUSA-N 1 1 317.436 3.823 20 30 DHEDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccc(C#N)cc1 ZINC001191531384 1038515239 /nfs/dbraw/zinc/51/52/39/1038515239.db2.gz RLGBRRWODKTOKX-IBGZPJMESA-N 1 1 305.425 3.789 20 30 DHEDMO Cc1ccc(C[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)cc1C ZINC001191774452 1038538447 /nfs/dbraw/zinc/53/84/47/1038538447.db2.gz WCKBRNWGSJVKEH-NRFANRHFSA-N 1 1 319.452 3.686 20 30 DHEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001191741182 1038541042 /nfs/dbraw/zinc/54/10/42/1038541042.db2.gz IAKCWTBLTYKGEE-DLBZAZTESA-N 1 1 304.409 3.723 20 30 DHEDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2cccc(Cl)c2C#N)C[C@H](C)O1 ZINC000589960060 1038559373 /nfs/dbraw/zinc/55/93/73/1038559373.db2.gz LHLQYXWMBCWGIJ-BETUJISGSA-N 1 1 321.852 3.511 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C[C@H]1C ZINC001192261827 1038614178 /nfs/dbraw/zinc/61/41/78/1038614178.db2.gz JQCHYFNMOCMYFF-VXGBXAGGSA-N 1 1 307.235 3.799 20 30 DHEDMO CCOC(=O)CC[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC001203758236 1038654059 /nfs/dbraw/zinc/65/40/59/1038654059.db2.gz UWKONTARDJCSQX-UHFFFAOYSA-N 1 1 322.408 3.514 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000590600133 1038675764 /nfs/dbraw/zinc/67/57/64/1038675764.db2.gz KRKDETAGVDZATJ-QGZVFWFLSA-N 1 1 305.425 3.872 20 30 DHEDMO CN(C)c1[nH+]ccc2cc(NC(=O)CCCCCC#N)ccc21 ZINC000590767806 1038700222 /nfs/dbraw/zinc/70/02/22/1038700222.db2.gz GGCWVSFAMXOHFU-UHFFFAOYSA-N 1 1 310.401 3.713 20 30 DHEDMO CC(=O)N1CC[C@H]([NH2+]CC2(C#N)CCCCC2)c2ccccc21 ZINC000598679686 1038821646 /nfs/dbraw/zinc/82/16/46/1038821646.db2.gz LARVWJWIHUHWPC-KRWDZBQOSA-N 1 1 311.429 3.548 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)n1cc(C[N@@H+](C)C2CCCCC2)nn1 ZINC000603225952 1038870110 /nfs/dbraw/zinc/87/01/10/1038870110.db2.gz BLNPHRUJWFTFTO-OAHLLOKOSA-N 1 1 323.444 3.524 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCc3scnc32)cc1Cl ZINC000599047186 1039007818 /nfs/dbraw/zinc/00/78/18/1039007818.db2.gz YTUZHQWZALWEMF-CYBMUJFWSA-N 1 1 303.818 3.835 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3C)C2)cc1C#N ZINC000599300395 1039116423 /nfs/dbraw/zinc/11/64/23/1039116423.db2.gz XKICJRQICOKJMO-FQEVSTJZSA-N 1 1 306.409 3.749 20 30 DHEDMO Cc1ccc(C[N@H+]2CCO[C@H](c3ccccc3C)C2)cc1C#N ZINC000599300395 1039116430 /nfs/dbraw/zinc/11/64/30/1039116430.db2.gz XKICJRQICOKJMO-FQEVSTJZSA-N 1 1 306.409 3.749 20 30 DHEDMO Cc1ccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1C#N ZINC000599300569 1039116683 /nfs/dbraw/zinc/11/66/83/1039116683.db2.gz SLBKRBXFJCNRQT-FQEVSTJZSA-N 1 1 320.436 3.905 20 30 DHEDMO N#Cc1cnccc1C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000592070520 1039116953 /nfs/dbraw/zinc/11/69/53/1039116953.db2.gz LJKUOAPCCNFHEM-UHFFFAOYSA-N 1 1 309.388 3.547 20 30 DHEDMO C[C@H]([NH2+]Cc1ccncc1C#N)c1cccc(C(F)(F)F)c1 ZINC000592097027 1039118775 /nfs/dbraw/zinc/11/87/75/1039118775.db2.gz OMTGJWVLKHIIAA-NSHDSACASA-N 1 1 305.303 3.823 20 30 DHEDMO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2ccncc2C#N)c1 ZINC000592098478 1039118818 /nfs/dbraw/zinc/11/88/18/1039118818.db2.gz AXBQWPTTZKMTOF-AUUYWEPGSA-N 1 1 307.397 3.545 20 30 DHEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2ccncc2C#N)c1 ZINC000592098478 1039118824 /nfs/dbraw/zinc/11/88/24/1039118824.db2.gz AXBQWPTTZKMTOF-AUUYWEPGSA-N 1 1 307.397 3.545 20 30 DHEDMO C=C(CC)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132266 1039122491 /nfs/dbraw/zinc/12/24/91/1039122491.db2.gz FXKVINNCQOPNKV-QAQDUYKDSA-N 1 1 318.417 3.667 20 30 DHEDMO COCC[N@@H+](C/C=C/c1ccccc1)Cc1ccc(C#N)cc1 ZINC000058397757 1039156782 /nfs/dbraw/zinc/15/67/82/1039156782.db2.gz KKDHLCVSQNAEHF-VMPITWQZSA-N 1 1 306.409 3.720 20 30 DHEDMO Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1C#N ZINC000599433761 1039161900 /nfs/dbraw/zinc/16/19/00/1039161900.db2.gz ZBSKFVABQUDHPC-MOPGFXCFSA-N 1 1 310.441 3.648 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)ccn1 ZINC000599516449 1039188575 /nfs/dbraw/zinc/18/85/75/1039188575.db2.gz UTQNLIJUJZPUGD-OAHLLOKOSA-N 1 1 313.351 3.611 20 30 DHEDMO C[N@@H+](CCCCc1ccccc1)CCOc1ccc(C#N)cc1 ZINC000603854583 1039189165 /nfs/dbraw/zinc/18/91/65/1039189165.db2.gz FYXNESSKKMYBKK-UHFFFAOYSA-N 1 1 308.425 3.892 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000599528859 1039198220 /nfs/dbraw/zinc/19/82/20/1039198220.db2.gz IBQQRVPVAULKEA-CYBMUJFWSA-N 1 1 313.357 3.648 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(Cl)c1 ZINC000603894775 1039216570 /nfs/dbraw/zinc/21/65/70/1039216570.db2.gz IZARCRRKMBQKQR-UHFFFAOYSA-N 1 1 314.816 3.860 20 30 DHEDMO Cc1cc(C)cc(-c2ccc(C[N@H+]3CC[C@](O)(CC#N)C3)cc2)c1 ZINC000592522025 1039222506 /nfs/dbraw/zinc/22/25/06/1039222506.db2.gz GSFNSRRQOWTAGW-OAQYLSRUSA-N 1 1 320.436 3.821 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000599629804 1039235419 /nfs/dbraw/zinc/23/54/19/1039235419.db2.gz MSBCXGQOZVXTGN-SJORKVTESA-N 1 1 318.436 3.694 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)cc1F ZINC000599679716 1039267113 /nfs/dbraw/zinc/26/71/13/1039267113.db2.gz NYOFOKJJYVOMHA-GOSISDBHSA-N 1 1 324.399 3.890 20 30 DHEDMO COC[C@@H](C)[N@@H+](CCC(C)(C)C#N)[C@H]1CCc2ccccc21 ZINC000599683327 1039268981 /nfs/dbraw/zinc/26/89/81/1039268981.db2.gz REORYXCVWCXSSI-QAPCUYQASA-N 1 1 300.446 3.951 20 30 DHEDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686164 1039270355 /nfs/dbraw/zinc/27/03/55/1039270355.db2.gz NJTSZZQCUPSUDB-CQSZACIVSA-N 1 1 321.380 3.780 20 30 DHEDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686164 1039270370 /nfs/dbraw/zinc/27/03/70/1039270370.db2.gz NJTSZZQCUPSUDB-CQSZACIVSA-N 1 1 321.380 3.780 20 30 DHEDMO Cc1ccccc1C1([NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000593036307 1039367230 /nfs/dbraw/zinc/36/72/30/1039367230.db2.gz YDWIIBXPBDIKTQ-UHFFFAOYSA-N 1 1 307.353 3.554 20 30 DHEDMO N#C[C@@H]1CC[C@H]([NH+]2CCN(c3cc(Cl)ccc3Cl)CC2)C1 ZINC000593053680 1039377051 /nfs/dbraw/zinc/37/70/51/1039377051.db2.gz YKJNVDKRXQIURM-OCCSQVGLSA-N 1 1 324.255 3.808 20 30 DHEDMO CN1CC[N@@H+](CCCCC(C)(C)C#N)[C@H](Cc2ccccc2)C1 ZINC000593088876 1039436605 /nfs/dbraw/zinc/43/66/05/1039436605.db2.gz MQPTVZXCGUOTNG-LJQANCHMSA-N 1 1 313.489 3.565 20 30 DHEDMO C[N@@H+]1CCN(CCCCC(C)(C)C#N)[C@H](Cc2ccccc2)C1 ZINC000593088876 1039436611 /nfs/dbraw/zinc/43/66/11/1039436611.db2.gz MQPTVZXCGUOTNG-LJQANCHMSA-N 1 1 313.489 3.565 20 30 DHEDMO C[N@H+]1CCN(CCCCC(C)(C)C#N)[C@H](Cc2ccccc2)C1 ZINC000593088876 1039436619 /nfs/dbraw/zinc/43/66/19/1039436619.db2.gz MQPTVZXCGUOTNG-LJQANCHMSA-N 1 1 313.489 3.565 20 30 DHEDMO C[C@@H]([NH2+][C@@H](CCO)c1ccccc1F)c1ccc(C#N)cc1F ZINC000592401878 1039464326 /nfs/dbraw/zinc/46/43/26/1039464326.db2.gz DMKKTENBTWZKRI-XIKOKIGWSA-N 1 1 316.351 3.611 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000058733083 1039502538 /nfs/dbraw/zinc/50/25/38/1039502538.db2.gz UOOUXEIHYWWBTA-OAQYLSRUSA-N 1 1 313.404 3.965 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000058733083 1039502546 /nfs/dbraw/zinc/50/25/46/1039502546.db2.gz UOOUXEIHYWWBTA-OAQYLSRUSA-N 1 1 313.404 3.965 20 30 DHEDMO CC(C)Cn1nccc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000592498042 1039534713 /nfs/dbraw/zinc/53/47/13/1039534713.db2.gz VDKVMWMJUMCUTG-UHFFFAOYSA-N 1 1 310.445 3.821 20 30 DHEDMO N#CCOc1ccc(C[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000171769677 1039624658 /nfs/dbraw/zinc/62/46/58/1039624658.db2.gz JFOINMZUIGUOIG-UHFFFAOYSA-N 1 1 304.752 3.671 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000594010906 1039678803 /nfs/dbraw/zinc/67/88/03/1039678803.db2.gz WLBOMAZKJQIHCD-QGZVFWFLSA-N 1 1 307.397 3.721 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1cc(Br)cc2cccnc21 ZINC000594009034 1039679871 /nfs/dbraw/zinc/67/98/71/1039679871.db2.gz ZGJPQRGEWFKKNG-CQSZACIVSA-N 1 1 318.218 3.779 20 30 DHEDMO C=CCCC[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000605740704 1039743921 /nfs/dbraw/zinc/74/39/21/1039743921.db2.gz SIJXWLOPHPZJCC-GFCCVEGCSA-N 1 1 318.244 3.631 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000605737744 1039746454 /nfs/dbraw/zinc/74/64/54/1039746454.db2.gz VTFGSXPGQJFOQI-OAHLLOKOSA-N 1 1 318.486 3.802 20 30 DHEDMO CC(C)N(CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)C(C)C ZINC000594493409 1039795841 /nfs/dbraw/zinc/79/58/41/1039795841.db2.gz MFGLPPYFKJVJOJ-UHFFFAOYSA-N 1 1 301.478 3.696 20 30 DHEDMO C[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000594493992 1039796675 /nfs/dbraw/zinc/79/66/75/1039796675.db2.gz CYMNDAUQWJFHBE-SJORKVTESA-N 1 1 313.489 3.698 20 30 DHEDMO C[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000594493992 1039796691 /nfs/dbraw/zinc/79/66/91/1039796691.db2.gz CYMNDAUQWJFHBE-SJORKVTESA-N 1 1 313.489 3.698 20 30 DHEDMO C[C@H](CNCc1ccc(C(C)(C)C#N)cc1)[NH+]1CCC(C)CC1 ZINC000594495506 1039797862 /nfs/dbraw/zinc/79/78/62/1039797862.db2.gz ATANXZKORQTASK-QGZVFWFLSA-N 1 1 313.489 3.698 20 30 DHEDMO N#Cc1ccc(C2([NH2+]Cc3ccc4nc[nH]c4c3)CCC2)cc1 ZINC000594520884 1039831657 /nfs/dbraw/zinc/83/16/57/1039831657.db2.gz QWPZMQUMIVLWQT-UHFFFAOYSA-N 1 1 302.381 3.604 20 30 DHEDMO CC(C)(CCC#N)CNc1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC000594581629 1039860649 /nfs/dbraw/zinc/86/06/49/1039860649.db2.gz NHBHLXPOKQLUSJ-UHFFFAOYSA-N 1 1 315.465 3.845 20 30 DHEDMO C[C@@H]1CN(c2cccc(C(F)F)c2C#N)CC[N@H+](C2CCC2)C1 ZINC000594585600 1039862229 /nfs/dbraw/zinc/86/22/29/1039862229.db2.gz AQYXVXDLSYNTPT-ZDUSSCGKSA-N 1 1 319.399 3.806 20 30 DHEDMO CCC(CC)[C@@H](CNCc1ccc(C2(C#N)CC2)cc1)[NH+](C)C ZINC000594914812 1039924285 /nfs/dbraw/zinc/92/42/85/1039924285.db2.gz LQUSURKXOAXPIJ-LJQANCHMSA-N 1 1 313.489 3.698 20 30 DHEDMO N#CC1(c2ccc(C[NH2+]Cc3ccn(C4CCCC4)n3)cc2)CC1 ZINC000594932210 1039944100 /nfs/dbraw/zinc/94/41/00/1039944100.db2.gz WFKGFUGLXDEDIB-UHFFFAOYSA-N 1 1 320.440 3.843 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1c(F)cncc1F ZINC000594953923 1039962565 /nfs/dbraw/zinc/96/25/65/1039962565.db2.gz JVUIYFWEIUUIMX-GFCCVEGCSA-N 1 1 313.351 3.766 20 30 DHEDMO Cn1cc(C[NH2+]CC2(C#N)CCCCC2)c(-c2ccccc2)n1 ZINC000594981408 1039990695 /nfs/dbraw/zinc/99/06/95/1039990695.db2.gz OMLMVNQCALUPCZ-UHFFFAOYSA-N 1 1 308.429 3.651 20 30 DHEDMO N#CC1(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)CCCCC1 ZINC000594981436 1039994030 /nfs/dbraw/zinc/99/40/30/1039994030.db2.gz POQSGCYXUUVPOJ-UHFFFAOYSA-N 1 1 312.392 3.575 20 30 DHEDMO Cc1ccc(-c2n[nH]cc2C[NH2+]CC2(C#N)CCCCC2)cc1 ZINC000594995853 1040012443 /nfs/dbraw/zinc/01/24/43/1040012443.db2.gz TWLNVKUACHBUBQ-UHFFFAOYSA-N 1 1 308.429 3.949 20 30 DHEDMO C=CCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000606896524 1040018438 /nfs/dbraw/zinc/01/84/38/1040018438.db2.gz HGEWHHZYFDLCNV-UHFFFAOYSA-N 1 1 306.453 3.970 20 30 DHEDMO N#Cc1ccc(CC[NH2+][C@@H](CCc2ccccc2)C(F)F)cc1 ZINC000595055708 1040020241 /nfs/dbraw/zinc/02/02/41/1040020241.db2.gz HYVGENUIVKMMMI-SFHVURJKSA-N 1 1 314.379 3.957 20 30 DHEDMO C=CCCSCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000595058654 1040022006 /nfs/dbraw/zinc/02/20/06/1040022006.db2.gz IHJJZKGGDYZQRK-MJGOQNOKSA-N 1 1 318.530 3.796 20 30 DHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000595091454 1040075478 /nfs/dbraw/zinc/07/54/78/1040075478.db2.gz QTINDENTLPWQKZ-OAHLLOKOSA-N 1 1 314.429 3.973 20 30 DHEDMO CC[C@@H](CC(F)F)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000595299666 1040094387 /nfs/dbraw/zinc/09/43/87/1040094387.db2.gz XVNGGMXPQHFCPW-HNNXBMFYSA-N 1 1 321.415 3.752 20 30 DHEDMO CC[C@H](CC(F)F)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000595299667 1040096598 /nfs/dbraw/zinc/09/65/98/1040096598.db2.gz XVNGGMXPQHFCPW-OAHLLOKOSA-N 1 1 321.415 3.752 20 30 DHEDMO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000595332490 1040100751 /nfs/dbraw/zinc/10/07/51/1040100751.db2.gz GEQGQUXSAVFQEN-OXQOHEQNSA-N 1 1 306.409 3.563 20 30 DHEDMO N#Cc1ccc(CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000595350939 1040102264 /nfs/dbraw/zinc/10/22/64/1040102264.db2.gz CAUMKSADZWNLPD-UHFFFAOYSA-N 1 1 321.380 3.674 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)c1=S ZINC000172918720 1040116713 /nfs/dbraw/zinc/11/67/13/1040116713.db2.gz OWNPLATWOPOCKW-KGLIPLIRSA-N 1 1 320.506 3.945 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@H+]2C[C@H](C)CCC[C@@H]2C)c1=S ZINC000172918720 1040116722 /nfs/dbraw/zinc/11/67/22/1040116722.db2.gz OWNPLATWOPOCKW-KGLIPLIRSA-N 1 1 320.506 3.945 20 30 DHEDMO N#Cc1ccc(CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000595386229 1040131134 /nfs/dbraw/zinc/13/11/34/1040131134.db2.gz BXWMXFSTDAFVQO-UHFFFAOYSA-N 1 1 321.380 3.674 20 30 DHEDMO Cc1ccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@H](CC#N)C3)o2)cc1 ZINC000595609144 1040204384 /nfs/dbraw/zinc/20/43/84/1040204384.db2.gz GRUBAYRGZOJXDG-LSDHHAIUSA-N 1 1 310.401 3.732 20 30 DHEDMO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CCC[C@H](CC#N)C3)o2)cc1 ZINC000595609144 1040204400 /nfs/dbraw/zinc/20/44/00/1040204400.db2.gz GRUBAYRGZOJXDG-LSDHHAIUSA-N 1 1 310.401 3.732 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([NH+]2CCN(c3ccc(Cl)cc3Cl)CC2)C1 ZINC000595658964 1040215748 /nfs/dbraw/zinc/21/57/48/1040215748.db2.gz LCMVKQYIAVLFJT-TZMCWYRMSA-N 1 1 324.255 3.808 20 30 DHEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN([C@H](C#N)c2ccccc2)C1 ZINC000595749568 1040241797 /nfs/dbraw/zinc/24/17/97/1040241797.db2.gz OCDKGWQFDVCJSJ-NHCUHLMSSA-N 1 1 319.452 3.500 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595788357 1040256555 /nfs/dbraw/zinc/25/65/55/1040256555.db2.gz MPCUERLZULGYGC-MAUKXSAKSA-N 1 1 318.848 3.993 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595788357 1040256577 /nfs/dbraw/zinc/25/65/77/1040256577.db2.gz MPCUERLZULGYGC-MAUKXSAKSA-N 1 1 318.848 3.993 20 30 DHEDMO CCC(CC)CCC[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000595836748 1040257650 /nfs/dbraw/zinc/25/76/50/1040257650.db2.gz YVTCSDLCOIPPFP-UHFFFAOYSA-N 1 1 307.463 3.706 20 30 DHEDMO CC#CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000607723972 1040259748 /nfs/dbraw/zinc/25/97/48/1040259748.db2.gz YZBQYVOCGKFEIP-NRFANRHFSA-N 1 1 321.420 3.675 20 30 DHEDMO CC#CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000607723972 1040259762 /nfs/dbraw/zinc/25/97/62/1040259762.db2.gz YZBQYVOCGKFEIP-NRFANRHFSA-N 1 1 321.420 3.675 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000595829414 1040266813 /nfs/dbraw/zinc/26/68/13/1040266813.db2.gz HRLARNOFPQCXBF-PMACEKPBSA-N 1 1 318.420 3.694 20 30 DHEDMO N#CC1(CC[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CCCCC1 ZINC000595909372 1040272564 /nfs/dbraw/zinc/27/25/64/1040272564.db2.gz MFVFLDKMSCEWJP-KDURUIRLSA-N 1 1 302.462 3.743 20 30 DHEDMO COc1ccc(C[N@H+]2CC3CC2(c2ccccc2)C3)cc1C#N ZINC000595908072 1040273567 /nfs/dbraw/zinc/27/35/67/1040273567.db2.gz MOOPQBFSLQWYLU-UHFFFAOYSA-N 1 1 304.393 3.688 20 30 DHEDMO N#Cc1cccc(OCC[N@H+]2CC3CC2(c2ccccc2)C3)c1 ZINC000595911558 1040274507 /nfs/dbraw/zinc/27/45/07/1040274507.db2.gz PAMHYQSQLJBAFK-UHFFFAOYSA-N 1 1 304.393 3.558 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H]1CCc2ccccc21 ZINC000595877725 1040280287 /nfs/dbraw/zinc/28/02/87/1040280287.db2.gz JROIJSGYWSYYFJ-INIZCTEOSA-N 1 1 321.380 3.628 20 30 DHEDMO N#Cc1ccc(NC(=O)CC[N@@H+](C2CC2)C2CCCCC2)cc1 ZINC000063497946 1040327078 /nfs/dbraw/zinc/32/70/78/1040327078.db2.gz YBZOBYJTQKTIEE-UHFFFAOYSA-N 1 1 311.429 3.684 20 30 DHEDMO C=CC[N@@H+](CCC(=O)NCC1CCCCC1)Cc1ccccc1 ZINC000596198583 1040326925 /nfs/dbraw/zinc/32/69/25/1040326925.db2.gz BUHOYWOSZQXDAP-UHFFFAOYSA-N 1 1 314.473 3.761 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(F)cc1 ZINC000063750792 1040487796 /nfs/dbraw/zinc/48/77/96/1040487796.db2.gz MOIMCANMRSQVRX-IBGZPJMESA-N 1 1 312.388 3.641 20 30 DHEDMO CC1(C)C[N@@H+](CCCOc2cccc(C#N)c2)[C@H]1c1ccncc1 ZINC000596591214 1040500979 /nfs/dbraw/zinc/50/09/79/1040500979.db2.gz IHEIADKBSQMQBR-IBGZPJMESA-N 1 1 321.424 3.805 20 30 DHEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)C3(C#N)CC4(CC4)C3)c2C1 ZINC000601353740 1040605289 /nfs/dbraw/zinc/60/52/89/1040605289.db2.gz RRUIJSBNQFACOF-UHFFFAOYSA-N 1 1 323.440 3.681 20 30 DHEDMO CCC[N@@H+](Cc1ccnn1CC1CC1)Cc1ccc(C#N)cc1 ZINC000596983890 1040617114 /nfs/dbraw/zinc/61/71/14/1040617114.db2.gz ITUFSEFSKMKXQR-UHFFFAOYSA-N 1 1 308.429 3.577 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccnn1CC1CC1)Cc1ccc(C#N)cc1 ZINC000596985134 1040618990 /nfs/dbraw/zinc/61/89/90/1040618990.db2.gz ZWHOWUOZSMWRAZ-UHFFFAOYSA-N 1 1 322.456 3.823 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCO[C@@H](c4cccs4)C3)cc2)CC1 ZINC000596995045 1040626932 /nfs/dbraw/zinc/62/69/32/1040626932.db2.gz FPONYFSIFQJWTO-QGZVFWFLSA-N 1 1 324.449 3.877 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCO[C@@H](c4cccs4)C3)cc2)CC1 ZINC000596995045 1040626936 /nfs/dbraw/zinc/62/69/36/1040626936.db2.gz FPONYFSIFQJWTO-QGZVFWFLSA-N 1 1 324.449 3.877 20 30 DHEDMO CC[N@@H+](CCc1nccs1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597019225 1040627814 /nfs/dbraw/zinc/62/78/14/1040627814.db2.gz IRTAXPSRRKUEDD-UHFFFAOYSA-N 1 1 311.454 3.763 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)cc2)CC1 ZINC000597133467 1040658414 /nfs/dbraw/zinc/65/84/14/1040658414.db2.gz SQYFQCPWNYTORU-RBUKOAKNSA-N 1 1 322.452 3.775 20 30 DHEDMO Cc1cc(Br)c(C[N@@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000597176304 1040678697 /nfs/dbraw/zinc/67/86/97/1040678697.db2.gz HLWXHGIQKKXARJ-NSHDSACASA-N 1 1 313.264 3.945 20 30 DHEDMO Cc1cc(Br)c(C[N@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000597176304 1040678702 /nfs/dbraw/zinc/67/87/02/1040678702.db2.gz HLWXHGIQKKXARJ-NSHDSACASA-N 1 1 313.264 3.945 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(C2CCCCC2)n1 ZINC000597178262 1040679225 /nfs/dbraw/zinc/67/92/25/1040679225.db2.gz WTFCAMPYLWOXFB-HNNXBMFYSA-N 1 1 300.450 3.593 20 30 DHEDMO COC(=O)c1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1Cl ZINC000597215634 1040687167 /nfs/dbraw/zinc/68/71/67/1040687167.db2.gz IRQBBZPMWGMHTL-UHFFFAOYSA-N 1 1 320.820 3.690 20 30 DHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000385920448 1040720372 /nfs/dbraw/zinc/72/03/72/1040720372.db2.gz KMPGBIOROXHNLY-CYBMUJFWSA-N 1 1 300.299 3.860 20 30 DHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000385920448 1040720383 /nfs/dbraw/zinc/72/03/83/1040720383.db2.gz KMPGBIOROXHNLY-CYBMUJFWSA-N 1 1 300.299 3.860 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456346942 1040783998 /nfs/dbraw/zinc/78/39/98/1040783998.db2.gz UGVLJCSVDTZKQA-QZTJIDSGSA-N 1 1 314.473 3.569 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+][C@@H](CCc1ccccc1)c1ccccn1 ZINC000601967087 1040847314 /nfs/dbraw/zinc/84/73/14/1040847314.db2.gz HSQMVPVXLWXGTK-QUCCMNQESA-N 1 1 318.424 3.789 20 30 DHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602097739 1040881951 /nfs/dbraw/zinc/88/19/51/1040881951.db2.gz OZPVWXLHVWOWEY-ZFWWWQNUSA-N 1 1 317.458 3.504 20 30 DHEDMO C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000602097739 1040881959 /nfs/dbraw/zinc/88/19/59/1040881959.db2.gz OZPVWXLHVWOWEY-ZFWWWQNUSA-N 1 1 317.458 3.504 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1csc(Br)c1 ZINC000602451035 1041028850 /nfs/dbraw/zinc/02/88/50/1041028850.db2.gz YQZRUMJTBYSWNW-JTQLQIEISA-N 1 1 301.253 3.882 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCN(c2ccccc2)C1 ZINC000602439618 1041032701 /nfs/dbraw/zinc/03/27/01/1041032701.db2.gz OIEICJXJDBNEBH-LJQANCHMSA-N 1 1 305.425 3.517 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc3nccnc3c2)C2CC2)cc1 ZINC000602440800 1041034176 /nfs/dbraw/zinc/03/41/76/1041034176.db2.gz KUWMMCHNSMGZNW-UHFFFAOYSA-N 1 1 314.392 3.666 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000602475340 1041040855 /nfs/dbraw/zinc/04/08/55/1041040855.db2.gz UKAVDHAVRDXJNY-SECBINFHSA-N 1 1 302.262 3.743 20 30 DHEDMO C[C@@H]1SCC[N@H+](Cc2cccc(C#N)n2)[C@H]1c1ccccc1 ZINC000602471031 1041047350 /nfs/dbraw/zinc/04/73/50/1041047350.db2.gz BUHYJASUIBRFPI-KBXCAEBGSA-N 1 1 309.438 3.632 20 30 DHEDMO C[C@@H]1SCC[N@@H+](Cc2cccc(C#N)n2)[C@H]1c1ccccc1 ZINC000602471031 1041047362 /nfs/dbraw/zinc/04/73/62/1041047362.db2.gz BUHYJASUIBRFPI-KBXCAEBGSA-N 1 1 309.438 3.632 20 30 DHEDMO Cc1ncc([C@H](C)[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)n1 ZINC000602483574 1041052701 /nfs/dbraw/zinc/05/27/01/1041052701.db2.gz MUEAIKZASDATHF-ZAAXVRCTSA-N 1 1 320.440 3.926 20 30 DHEDMO Cc1ncc([C@H](C)[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)n1 ZINC000602483574 1041052719 /nfs/dbraw/zinc/05/27/19/1041052719.db2.gz MUEAIKZASDATHF-ZAAXVRCTSA-N 1 1 320.440 3.926 20 30 DHEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@H](C)CCC#N ZINC000602482993 1041054085 /nfs/dbraw/zinc/05/40/85/1041054085.db2.gz HYIXEZQXHNMQBK-NVXWUHKLSA-N 1 1 310.445 3.749 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000602486917 1041056316 /nfs/dbraw/zinc/05/63/16/1041056316.db2.gz REKQANOAUICREN-QFBILLFUSA-N 1 1 300.446 3.688 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000602487005 1041058370 /nfs/dbraw/zinc/05/83/70/1041058370.db2.gz YBDROOCHIIGZAF-IEBWSBKVSA-N 1 1 300.446 3.650 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000602634724 1041137338 /nfs/dbraw/zinc/13/73/38/1041137338.db2.gz ORLUKTJCRNNBBQ-LLVKDONJSA-N 1 1 313.214 3.960 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCc2cc(Br)ccc2C1 ZINC000602631054 1041137481 /nfs/dbraw/zinc/13/74/81/1041137481.db2.gz DEBDMKDWAGDVHO-GFCCVEGCSA-N 1 1 307.235 3.747 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)N(C)[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000602692903 1041154396 /nfs/dbraw/zinc/15/43/96/1041154396.db2.gz OCQYWSKGXYZRDS-KSSFIOAISA-N 1 1 323.444 3.991 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602683483 1041162206 /nfs/dbraw/zinc/16/22/06/1041162206.db2.gz BWKRFHPBGCQKPI-ZBFHGGJFSA-N 1 1 301.390 3.714 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000602721161 1041176070 /nfs/dbraw/zinc/17/60/70/1041176070.db2.gz IAXQPAHLQLOJJC-GFCCVEGCSA-N 1 1 323.234 3.583 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000602721161 1041176075 /nfs/dbraw/zinc/17/60/75/1041176075.db2.gz IAXQPAHLQLOJJC-GFCCVEGCSA-N 1 1 323.234 3.583 20 30 DHEDMO N#CCC1(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000602785853 1041209858 /nfs/dbraw/zinc/20/98/58/1041209858.db2.gz WHASHWXCUNDPIO-NRFANRHFSA-N 1 1 323.484 3.668 20 30 DHEDMO N#CCC1(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC1 ZINC000602785853 1041209955 /nfs/dbraw/zinc/20/99/55/1041209955.db2.gz WHASHWXCUNDPIO-NRFANRHFSA-N 1 1 323.484 3.668 20 30 DHEDMO N#CCC1(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)CC1 ZINC000602785853 1041209974 /nfs/dbraw/zinc/20/99/74/1041209974.db2.gz WHASHWXCUNDPIO-NRFANRHFSA-N 1 1 323.484 3.668 20 30 DHEDMO N#CCC1(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000602786948 1041212985 /nfs/dbraw/zinc/21/29/85/1041212985.db2.gz MZPKWHUBPBAVGD-PMACEKPBSA-N 1 1 323.484 3.667 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3cccnc3)C2)c(Cl)c1 ZINC000602855077 1041263650 /nfs/dbraw/zinc/26/36/50/1041263650.db2.gz PEGJFJWUTFPKLA-INIZCTEOSA-N 1 1 311.816 3.986 20 30 DHEDMO CC(C)c1nnc(CC2CC[NH+](CCCC(C)(C)C#N)CC2)[nH]1 ZINC000602866892 1041293877 /nfs/dbraw/zinc/29/38/77/1041293877.db2.gz TYVBJKUFBDDTKH-UHFFFAOYSA-N 1 1 317.481 3.513 20 30 DHEDMO CC(C)c1nc(CC2CC[NH+](CCCC(C)(C)C#N)CC2)n[nH]1 ZINC000602866892 1041293886 /nfs/dbraw/zinc/29/38/86/1041293886.db2.gz TYVBJKUFBDDTKH-UHFFFAOYSA-N 1 1 317.481 3.513 20 30 DHEDMO CC(C)(C)c1csc(CC2CC[NH+](CC3(C#N)CC3)CC2)n1 ZINC000602893026 1041297634 /nfs/dbraw/zinc/29/76/34/1041297634.db2.gz OHYXYPXSHPBNSY-UHFFFAOYSA-N 1 1 317.502 3.999 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[N@@H+](C)[C@H]3CCC[C@@H]3C#N)cc2)n1 ZINC000602979863 1041328617 /nfs/dbraw/zinc/32/86/17/1041328617.db2.gz IRFFUHRXZJXHMS-MJGOQNOKSA-N 1 1 308.429 3.613 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[N@H+](C)[C@H]3CCC[C@@H]3C#N)cc2)n1 ZINC000602979863 1041328630 /nfs/dbraw/zinc/32/86/30/1041328630.db2.gz IRFFUHRXZJXHMS-MJGOQNOKSA-N 1 1 308.429 3.613 20 30 DHEDMO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602977600 1041329858 /nfs/dbraw/zinc/32/98/58/1041329858.db2.gz DFOBRTGMIVMHFF-XLIONFOSSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602977600 1041329869 /nfs/dbraw/zinc/32/98/69/1041329869.db2.gz DFOBRTGMIVMHFF-XLIONFOSSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1cccc2ccccc21)[C@H]1CCC[C@@H]1C#N ZINC000602979770 1041330766 /nfs/dbraw/zinc/33/07/66/1041330766.db2.gz HWFDTVPBKPIZIC-APWZRJJASA-N 1 1 321.424 3.792 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997571 1041338082 /nfs/dbraw/zinc/33/80/82/1041338082.db2.gz NBGATOLBPHHILT-WDSOQIARSA-N 1 1 312.457 3.613 20 30 DHEDMO C[N@H+](Cc1ccc(C(C)(C)C)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598587529 1041347582 /nfs/dbraw/zinc/34/75/82/1041347582.db2.gz SHKHPDPJJJKMGI-QGZVFWFLSA-N 1 1 302.462 3.717 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000598586379 1041347699 /nfs/dbraw/zinc/34/76/99/1041347699.db2.gz SKBSDGQLSUUQLV-QZTJIDSGSA-N 1 1 300.446 3.904 20 30 DHEDMO CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H](C)c1ccccc1OC ZINC000598587077 1041347984 /nfs/dbraw/zinc/34/79/84/1041347984.db2.gz NJHRPODXGKHJCL-HZPDHXFCSA-N 1 1 318.461 3.769 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000598587600 1041349181 /nfs/dbraw/zinc/34/91/81/1041349181.db2.gz SFMBYDJNNOFKOG-SFHVURJKSA-N 1 1 300.446 3.589 20 30 DHEDMO CCCC[N@H+](Cc1ccccc1F)C[C@@H](O)CC(C)(C)C#N ZINC000598591690 1041350405 /nfs/dbraw/zinc/35/04/05/1041350405.db2.gz YSBCGHKWSYDOBU-INIZCTEOSA-N 1 1 306.425 3.729 20 30 DHEDMO CC(C)C[N@H+](Cc1ccccc1F)C[C@H](O)CC(C)(C)C#N ZINC000598590802 1041351017 /nfs/dbraw/zinc/35/10/17/1041351017.db2.gz PSXYLIJCOHCCGY-MRXNPFEDSA-N 1 1 306.425 3.584 20 30 DHEDMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)c1C ZINC000598592842 1041352022 /nfs/dbraw/zinc/35/20/22/1041352022.db2.gz NSLZKNYXFOCLNU-WMZOPIPTSA-N 1 1 300.446 3.741 20 30 DHEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@H](O)CC(C)(C)C#N ZINC000598593113 1041352347 /nfs/dbraw/zinc/35/23/47/1041352347.db2.gz PZFJXLACFDMPDH-QZTJIDSGSA-N 1 1 302.462 3.630 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000598599497 1041359945 /nfs/dbraw/zinc/35/99/45/1041359945.db2.gz JLNISSJYRGUUNV-HNNXBMFYSA-N 1 1 318.848 3.730 20 30 DHEDMO C[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000598620296 1041362570 /nfs/dbraw/zinc/36/25/70/1041362570.db2.gz ANCRWLPWXUKTOK-KZNAEPCWSA-N 1 1 300.446 3.555 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598616459 1041362815 /nfs/dbraw/zinc/36/28/15/1041362815.db2.gz AYKVVMOAGOEOLD-LMSBXDPUSA-N 1 1 300.446 3.554 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000096965904 185394128 /nfs/dbraw/zinc/39/41/28/185394128.db2.gz CINZMPICBWQHBC-UHFFFAOYSA-N 1 1 316.367 3.748 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000096965904 185394129 /nfs/dbraw/zinc/39/41/29/185394129.db2.gz CINZMPICBWQHBC-UHFFFAOYSA-N 1 1 316.367 3.748 20 30 DHEDMO CC(C)(C)C[C@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000060889938 335004594 /nfs/dbraw/zinc/00/45/94/335004594.db2.gz DHZNQAPXGMBKMP-CQSZACIVSA-N 1 1 319.474 3.849 20 30 DHEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000287406172 335045939 /nfs/dbraw/zinc/04/59/39/335045939.db2.gz OGVVTILEFSXGQM-LLVKDONJSA-N 1 1 303.328 3.668 20 30 DHEDMO CC[N@H+](Cc1c(C)nn(C)c1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000066155666 184393377 /nfs/dbraw/zinc/39/33/77/184393377.db2.gz IMKPHQCGVNJXSA-CYBMUJFWSA-N 1 1 316.836 3.837 20 30 DHEDMO CC[N@@H+](Cc1c(C)nn(C)c1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000066155666 184393379 /nfs/dbraw/zinc/39/33/79/184393379.db2.gz IMKPHQCGVNJXSA-CYBMUJFWSA-N 1 1 316.836 3.837 20 30 DHEDMO CC[N@H+](Cc1c(C)nn(C)c1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000066155665 184393783 /nfs/dbraw/zinc/39/37/83/184393783.db2.gz IMKPHQCGVNJXSA-ZDUSSCGKSA-N 1 1 316.836 3.837 20 30 DHEDMO CC[N@@H+](Cc1c(C)nn(C)c1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000066155665 184393785 /nfs/dbraw/zinc/39/37/85/184393785.db2.gz IMKPHQCGVNJXSA-ZDUSSCGKSA-N 1 1 316.836 3.837 20 30 DHEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cc(OC)ncc1F ZINC000287783622 335048231 /nfs/dbraw/zinc/04/82/31/335048231.db2.gz SHTDOWFGULBWET-ZDUSSCGKSA-N 1 1 316.376 3.645 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1ccccc1C(=O)N(C)C ZINC000417685955 335048569 /nfs/dbraw/zinc/04/85/69/335048569.db2.gz SLGLBGFOEHDWDB-UHFFFAOYSA-N 1 1 314.454 3.638 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccccc1C(=O)N(C)C ZINC000417685955 335048570 /nfs/dbraw/zinc/04/85/70/335048570.db2.gz SLGLBGFOEHDWDB-UHFFFAOYSA-N 1 1 314.454 3.638 20 30 DHEDMO CC(=O)Nc1ccn([C@H]2CC[N@H+]([C@@H](C)c3cccc(C)c3)C2)n1 ZINC000328621215 257264019 /nfs/dbraw/zinc/26/40/19/257264019.db2.gz HORRBARQLKWSJD-YOEHRIQHSA-N 1 1 312.417 3.807 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000289373632 335062814 /nfs/dbraw/zinc/06/28/14/335062814.db2.gz BBOUZANPFHWSRB-HXUWFJFHSA-N 1 1 306.409 3.821 20 30 DHEDMO CCn1nc(C[N@H+](C)Cc2cccc(C#N)c2)c2ccccc21 ZINC000274461247 130237018 /nfs/dbraw/zinc/23/70/18/130237018.db2.gz BUJIKVPSXLQKPS-UHFFFAOYSA-N 1 1 304.397 3.560 20 30 DHEDMO CCn1nc(C[N@@H+](C)Cc2cccc(C#N)c2)c2ccccc21 ZINC000274461247 130237019 /nfs/dbraw/zinc/23/70/19/130237019.db2.gz BUJIKVPSXLQKPS-UHFFFAOYSA-N 1 1 304.397 3.560 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000284652013 131101426 /nfs/dbraw/zinc/10/14/26/131101426.db2.gz FHZORTIRCDFRDQ-UHFFFAOYSA-N 1 1 304.821 3.604 20 30 DHEDMO CC[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(OC)c(OC)c1 ZINC000285491516 131173174 /nfs/dbraw/zinc/17/31/74/131173174.db2.gz PKIHTPVVXQOIOV-QGZVFWFLSA-N 1 1 310.397 3.816 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@H](C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000288773978 131338448 /nfs/dbraw/zinc/33/84/48/131338448.db2.gz BHLPLRIWEMMYTN-SFHVURJKSA-N 1 1 320.440 3.581 20 30 DHEDMO CC[N@H+](Cc1cnc([C@H](C)O)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000289198105 131365531 /nfs/dbraw/zinc/36/55/31/131365531.db2.gz VDJYLBHRSMJEEL-STQMWFEESA-N 1 1 315.442 3.651 20 30 DHEDMO CC[N@@H+](Cc1cnc([C@H](C)O)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000289198105 131365532 /nfs/dbraw/zinc/36/55/32/131365532.db2.gz VDJYLBHRSMJEEL-STQMWFEESA-N 1 1 315.442 3.651 20 30 DHEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000120793622 132145832 /nfs/dbraw/zinc/14/58/32/132145832.db2.gz VQSSWHFFKFVGFQ-DZGCQCFKSA-N 1 1 319.474 3.849 20 30 DHEDMO C#Cc1ccccc1CC(=O)Nc1cccc2c1C[N@H+](CCC)C2 ZINC000290134327 335069350 /nfs/dbraw/zinc/06/93/50/335069350.db2.gz OFMWHTYWVPFPDR-UHFFFAOYSA-N 1 1 318.420 3.575 20 30 DHEDMO C#Cc1ccccc1CC(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC000290134327 335069351 /nfs/dbraw/zinc/06/93/51/335069351.db2.gz OFMWHTYWVPFPDR-UHFFFAOYSA-N 1 1 318.420 3.575 20 30 DHEDMO Cc1nc(NCC(C)(C)[N@H+]2CCc3ccccc3C2)ccc1C#N ZINC000487911774 429173840 /nfs/dbraw/zinc/17/38/40/429173840.db2.gz FFNRGDNXJRDGSY-UHFFFAOYSA-N 1 1 320.440 3.511 20 30 DHEDMO C[C@H](Nc1cc[nH+]c(N2CCCCC2)n1)c1ccc(C#N)cc1 ZINC000521693300 429562581 /nfs/dbraw/zinc/56/25/81/429562581.db2.gz KAKYZLQOSROUJP-AWEZNQCLSA-N 1 1 307.401 3.512 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000520042976 332030265 /nfs/dbraw/zinc/03/02/65/332030265.db2.gz RSECHZYPPZKPTC-IBGZPJMESA-N 1 1 312.457 3.804 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000569450120 332088971 /nfs/dbraw/zinc/08/89/71/332088971.db2.gz UQSFVCYEMFRCNS-DOMZBBRYSA-N 1 1 303.793 3.587 20 30 DHEDMO C=CC[C@H](CC)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000410138458 332093026 /nfs/dbraw/zinc/09/30/26/332093026.db2.gz RKOZYXSWTWZADP-AEFFLSMTSA-N 1 1 318.436 3.509 20 30 DHEDMO CCOc1ccc(C2=CC[N@@H+](CCCSCC#N)CC2)cc1 ZINC000091800283 332112469 /nfs/dbraw/zinc/11/24/69/332112469.db2.gz QPUAUJZEYASKKE-UHFFFAOYSA-N 1 1 316.470 3.821 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2ccc(C(C)C)cc2)C1=O ZINC000410333820 332113411 /nfs/dbraw/zinc/11/34/11/332113411.db2.gz RLIBPVHBIPKCME-MAUKXSAKSA-N 1 1 300.446 3.590 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+](CCC)[C@@H](CC)c2ccccc2)C1=O ZINC000410337360 332113900 /nfs/dbraw/zinc/11/39/00/332113900.db2.gz AMVVVWTWVPTIDE-ZWKOTPCHSA-N 1 1 300.446 3.637 20 30 DHEDMO CCCCOc1ccc(C[N@H+](CC)C[C@@H](C)C#N)cc1OC ZINC000091983654 332116657 /nfs/dbraw/zinc/11/66/57/332116657.db2.gz UCYZANSLFKALTG-HNNXBMFYSA-N 1 1 304.434 3.856 20 30 DHEDMO CCCCOc1ccc(C[N@@H+](CC)C[C@@H](C)C#N)cc1OC ZINC000091983654 332116659 /nfs/dbraw/zinc/11/66/59/332116659.db2.gz UCYZANSLFKALTG-HNNXBMFYSA-N 1 1 304.434 3.856 20 30 DHEDMO CCCOc1ccc(C[N@H+](CC)C[C@H](C)C#N)cc1OCC ZINC000091983407 332116759 /nfs/dbraw/zinc/11/67/59/332116759.db2.gz DCPPRDQSMWOMLI-OAHLLOKOSA-N 1 1 304.434 3.856 20 30 DHEDMO CCCOc1ccc(C[N@@H+](CC)C[C@H](C)C#N)cc1OCC ZINC000091983407 332116760 /nfs/dbraw/zinc/11/67/60/332116760.db2.gz DCPPRDQSMWOMLI-OAHLLOKOSA-N 1 1 304.434 3.856 20 30 DHEDMO CCOC(=O)C[N@H+](Cc1ccc(F)cc1)CC(C)(C)CCC#N ZINC000092710981 332129990 /nfs/dbraw/zinc/12/99/90/332129990.db2.gz WHADTLXKZNINNI-UHFFFAOYSA-N 1 1 320.408 3.521 20 30 DHEDMO CCOC(=O)C[N@@H+](Cc1ccc(F)cc1)CC(C)(C)CCC#N ZINC000092710981 332129992 /nfs/dbraw/zinc/12/99/92/332129992.db2.gz WHADTLXKZNINNI-UHFFFAOYSA-N 1 1 320.408 3.521 20 30 DHEDMO C=CC[C@@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000427001299 332165046 /nfs/dbraw/zinc/16/50/46/332165046.db2.gz ISVYKOCWMPZBTF-ZIFCJYIRSA-N 1 1 314.473 3.725 20 30 DHEDMO C=C(C)C[N@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000181044480 332173295 /nfs/dbraw/zinc/17/32/95/332173295.db2.gz HKPFCQGMUINRIH-UHFFFAOYSA-N 1 1 308.219 3.733 20 30 DHEDMO COc1ccc(Br)cc1[C@@H]1CCC[N@@H+]1CCCC#N ZINC000101556957 332216754 /nfs/dbraw/zinc/21/67/54/332216754.db2.gz XHJOOXMUDMNYOK-AWEZNQCLSA-N 1 1 323.234 3.898 20 30 DHEDMO COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1CCCC#N ZINC000101556957 332216755 /nfs/dbraw/zinc/21/67/55/332216755.db2.gz XHJOOXMUDMNYOK-AWEZNQCLSA-N 1 1 323.234 3.898 20 30 DHEDMO N#Cc1ccc(C(F)(F)F)c(NCc2c[nH+]c3n2CCCC3)c1 ZINC000367417790 332241396 /nfs/dbraw/zinc/24/13/96/332241396.db2.gz IUPRUYTULMPEOK-UHFFFAOYSA-N 1 1 320.318 3.722 20 30 DHEDMO N#CCC[C@H]([NH2+]Cc1cc(-c2cccnc2)n[nH]1)c1ccccc1 ZINC000370815863 332260330 /nfs/dbraw/zinc/26/03/30/332260330.db2.gz CEIGMYZNGMXRSS-SFHVURJKSA-N 1 1 317.396 3.606 20 30 DHEDMO COc1cc(C#N)ccc1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000560170630 332316749 /nfs/dbraw/zinc/31/67/49/332316749.db2.gz QILUNYWBEFVBIT-UHFFFAOYSA-N 1 1 312.335 3.731 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1c[nH]nc1-c1cccnc1 ZINC000119942261 332326804 /nfs/dbraw/zinc/32/68/04/332326804.db2.gz GBWMTIKQAIZXEY-UHFFFAOYSA-N 1 1 310.426 3.721 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(-n2cncn2)cc1 ZINC000119943106 332326838 /nfs/dbraw/zinc/32/68/38/332326838.db2.gz YNFKUDVLFJYEBT-UHFFFAOYSA-N 1 1 310.426 3.517 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CCCOc3ccc(C)cc32)CC1 ZINC000152998024 332338710 /nfs/dbraw/zinc/33/87/10/332338710.db2.gz JOJJNLOPTWTLAD-LJQANCHMSA-N 1 1 314.473 3.839 20 30 DHEDMO C=C[C@@H]1OCC[C@H]1NC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449523356 332354271 /nfs/dbraw/zinc/35/42/71/332354271.db2.gz XORJHHRTTJXGEZ-SJORKVTESA-N 1 1 308.510 3.599 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(Br)n1 ZINC000293283232 335103362 /nfs/dbraw/zinc/10/33/62/335103362.db2.gz TXLGHRCVESIRDE-UHFFFAOYSA-N 1 1 321.218 3.668 20 30 DHEDMO N#CC1(C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000562391600 332587751 /nfs/dbraw/zinc/58/77/51/332587751.db2.gz KYAWUSCSGGXMMG-UHFFFAOYSA-N 1 1 309.196 3.663 20 30 DHEDMO COc1cc2c(cc1OC)C[N@@H+](CCCCC(C)(C)C#N)CC2 ZINC000323353240 333017483 /nfs/dbraw/zinc/01/74/83/333017483.db2.gz BBXMCRLNDXDYOC-UHFFFAOYSA-N 1 1 316.445 3.782 20 30 DHEDMO C=CCC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC)c1ccccc1 ZINC000580228118 333035317 /nfs/dbraw/zinc/03/53/17/333035317.db2.gz MVXCQDQIGBURJH-OALUTQOASA-N 1 1 314.473 3.727 20 30 DHEDMO C=CCOc1ccc(CNCC2([NH+](C)C)CCCC2)cc1Cl ZINC000518769541 333066282 /nfs/dbraw/zinc/06/62/82/333066282.db2.gz BVDJKDMXCJELEM-UHFFFAOYSA-N 1 1 322.880 3.869 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000178528993 333140459 /nfs/dbraw/zinc/14/04/59/333140459.db2.gz XZBXOOYPXYYXHS-SFHVURJKSA-N 1 1 311.473 3.548 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000178528993 333140460 /nfs/dbraw/zinc/14/04/60/333140460.db2.gz XZBXOOYPXYYXHS-SFHVURJKSA-N 1 1 311.473 3.548 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000216208864 333149376 /nfs/dbraw/zinc/14/93/76/333149376.db2.gz HDSGGFQNVVPYDD-CYBMUJFWSA-N 1 1 324.852 3.882 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@@H](C)C#N)C(C)C ZINC000108362426 333175756 /nfs/dbraw/zinc/17/57/56/333175756.db2.gz GIWQOIJHDYSGBN-AWEZNQCLSA-N 1 1 319.474 3.607 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCC3(CCOCC3)[C@@H]2C)c1 ZINC000363869432 333186629 /nfs/dbraw/zinc/18/66/29/333186629.db2.gz QZRHLUXYKBIHJC-INIZCTEOSA-N 1 1 301.430 3.642 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000185344980 335129050 /nfs/dbraw/zinc/12/90/50/335129050.db2.gz NETAYMVEMLOSNZ-JKSUJKDBSA-N 1 1 320.502 3.679 20 30 DHEDMO COC[C@H]1CCCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000364131198 333243610 /nfs/dbraw/zinc/24/36/10/333243610.db2.gz ZCMBHOXJKYBZLS-INIZCTEOSA-N 1 1 300.446 3.736 20 30 DHEDMO CC[C@@](C)(O)C[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000189718871 333261622 /nfs/dbraw/zinc/26/16/22/333261622.db2.gz HLOXLOUBVJRRAV-LJQANCHMSA-N 1 1 302.462 3.980 20 30 DHEDMO Cc1nc([C@@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)cs1 ZINC000189763967 333262252 /nfs/dbraw/zinc/26/22/52/333262252.db2.gz HUNDJDKQGYTCQG-KRWDZBQOSA-N 1 1 313.426 3.539 20 30 DHEDMO Cc1nc([C@@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)cs1 ZINC000189763967 333262254 /nfs/dbraw/zinc/26/22/54/333262254.db2.gz HUNDJDKQGYTCQG-KRWDZBQOSA-N 1 1 313.426 3.539 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@@](C)(COC)C2)ccc1OC ZINC000295186368 335130899 /nfs/dbraw/zinc/13/08/99/335130899.db2.gz WRCJAWJEFOSHRA-LJQANCHMSA-N 1 1 319.445 3.509 20 30 DHEDMO C=CCCCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000364379672 333303382 /nfs/dbraw/zinc/30/33/82/333303382.db2.gz SXMSMEXSUANZME-HKUYNNGSSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CCC(CC=C)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000364427259 333313679 /nfs/dbraw/zinc/31/36/79/333313679.db2.gz HCWRLRPWISPBAO-NVXWUHKLSA-N 1 1 318.486 3.626 20 30 DHEDMO C=CCC(CC=C)C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000364429957 333313900 /nfs/dbraw/zinc/31/39/00/333313900.db2.gz XMVSSYHSZFKDOE-XUVXKRRUSA-N 1 1 324.468 3.516 20 30 DHEDMO C=C(C)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1 ZINC000364623395 333325467 /nfs/dbraw/zinc/32/54/67/333325467.db2.gz YJBKNFOQSZUGTG-YLJYHZDGSA-N 1 1 323.440 3.590 20 30 DHEDMO CCCCCCCCC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000162436431 333382139 /nfs/dbraw/zinc/38/21/39/333382139.db2.gz KMHPOIXHTSKPLS-UHFFFAOYSA-N 1 1 319.493 3.952 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](Cc2cnns2)C(C)(C)C)cc1 ZINC000296721465 335147929 /nfs/dbraw/zinc/14/79/29/335147929.db2.gz HODPBHPRXDUWDW-UHFFFAOYSA-N 1 1 317.458 3.904 20 30 DHEDMO C=CCOc1ccc(C[N@H+](Cc2cnns2)C(C)(C)C)cc1 ZINC000296721465 335147930 /nfs/dbraw/zinc/14/79/30/335147930.db2.gz HODPBHPRXDUWDW-UHFFFAOYSA-N 1 1 317.458 3.904 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)cc1 ZINC000414534629 334010865 /nfs/dbraw/zinc/01/08/65/334010865.db2.gz VHVXFYVFPCJHNC-LJQANCHMSA-N 1 1 315.457 3.888 20 30 DHEDMO CC(C)(C#N)CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000270648805 334015312 /nfs/dbraw/zinc/01/53/12/334015312.db2.gz LIDSOVRSPJQOAC-QGZVFWFLSA-N 1 1 312.413 3.755 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)s1 ZINC000414559747 334018196 /nfs/dbraw/zinc/01/81/96/334018196.db2.gz QCXQGHRGVNUIRO-GOSISDBHSA-N 1 1 324.449 3.973 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)s1 ZINC000414559747 334018198 /nfs/dbraw/zinc/01/81/98/334018198.db2.gz QCXQGHRGVNUIRO-GOSISDBHSA-N 1 1 324.449 3.973 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(c2cccc3cnccc32)CC1 ZINC000366833135 335173393 /nfs/dbraw/zinc/17/33/93/335173393.db2.gz YZOQXUKXPDMXOW-INIZCTEOSA-N 1 1 318.424 3.858 20 30 DHEDMO CC1(C#N)CC[NH+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000272507779 334036280 /nfs/dbraw/zinc/03/62/80/334036280.db2.gz ILPHSOAMQCSOCU-UHFFFAOYSA-N 1 1 300.374 3.861 20 30 DHEDMO CC1(C#N)CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000272622032 334038112 /nfs/dbraw/zinc/03/81/12/334038112.db2.gz UYVJBLJZOXTTOZ-UHFFFAOYSA-N 1 1 322.330 3.562 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cccc(OCC#N)c1 ZINC000272654569 334038542 /nfs/dbraw/zinc/03/85/42/334038542.db2.gz NMJSYTQFIYELLC-OXJNMPFZSA-N 1 1 321.424 3.521 20 30 DHEDMO COc1ccc2oc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)c(C)c2c1 ZINC000273296731 334045227 /nfs/dbraw/zinc/04/52/27/334045227.db2.gz MEZMEHAJUNVSCR-UONOGXRCSA-N 1 1 311.385 3.844 20 30 DHEDMO Cc1cc(-c2noc([C@H](C)[NH2+][C@H]3CC[C@H](C#N)C3)n2)ccc1F ZINC000274405011 334060915 /nfs/dbraw/zinc/06/09/15/334060915.db2.gz FINVZRQNNDRHLV-OBJOEFQTSA-N 1 1 314.364 3.527 20 30 DHEDMO C[C@H](CO)[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CCCC1 ZINC000276477204 334079442 /nfs/dbraw/zinc/07/94/42/334079442.db2.gz RNONJCRDRVOAOU-OAHLLOKOSA-N 1 1 300.446 3.613 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000276511694 334080324 /nfs/dbraw/zinc/08/03/24/334080324.db2.gz XRAILXWVAAUAOC-AWEZNQCLSA-N 1 1 317.458 3.527 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000276511701 334080331 /nfs/dbraw/zinc/08/03/31/334080331.db2.gz XRAILXWVAAUAOC-CQSZACIVSA-N 1 1 317.458 3.527 20 30 DHEDMO CC(C)(C#N)CCCCN1CC[NH+](CCc2cccs2)CC1 ZINC000277623680 334089588 /nfs/dbraw/zinc/08/95/88/334089588.db2.gz GMBZWITUXUTKCQ-UHFFFAOYSA-N 1 1 319.518 3.628 20 30 DHEDMO CO[C@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000277803316 334090886 /nfs/dbraw/zinc/09/08/86/334090886.db2.gz UIMDMBHPIFRGPR-FQEVSTJZSA-N 1 1 320.436 3.607 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000278791723 334101219 /nfs/dbraw/zinc/10/12/19/334101219.db2.gz OCQLBYYEGUFRRS-UHFFFAOYSA-N 1 1 322.456 3.950 20 30 DHEDMO N#CC1(CCC[N@@H+]2CC[C@@H](c3ccccc3F)C2)CCOCC1 ZINC000281869260 334129144 /nfs/dbraw/zinc/12/91/44/334129144.db2.gz CDUNOZUUNDDFGE-MRXNPFEDSA-N 1 1 316.420 3.716 20 30 DHEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)CCc1ccccc1 ZINC000281940655 334129687 /nfs/dbraw/zinc/12/96/87/334129687.db2.gz IVUWLWUNZLLAES-UHFFFAOYSA-N 1 1 300.446 3.652 20 30 DHEDMO N#CC1(CCC[N@@H+]2CCc3c(Cl)cccc3C2)CCOCC1 ZINC000282003652 334130361 /nfs/dbraw/zinc/13/03/61/334130361.db2.gz NUTDIOSYQQABJY-UHFFFAOYSA-N 1 1 318.848 3.799 20 30 DHEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000282021869 334130551 /nfs/dbraw/zinc/13/05/51/334130551.db2.gz PFQGMMRXJWOQDR-IEBWSBKVSA-N 1 1 312.457 3.965 20 30 DHEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000282105132 334131399 /nfs/dbraw/zinc/13/13/99/334131399.db2.gz WLFPFVDBKKRSTR-SFHVURJKSA-N 1 1 315.461 3.653 20 30 DHEDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000285380795 334147419 /nfs/dbraw/zinc/14/74/19/334147419.db2.gz BKSFUUZJZOOGBT-SJLPKXTDSA-N 1 1 311.473 3.546 20 30 DHEDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000285380795 334147420 /nfs/dbraw/zinc/14/74/20/334147420.db2.gz BKSFUUZJZOOGBT-SJLPKXTDSA-N 1 1 311.473 3.546 20 30 DHEDMO C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1ccc(OCC#N)cc1 ZINC000285760132 334149987 /nfs/dbraw/zinc/14/99/87/334149987.db2.gz SOLDARKETWAWIW-NEPJUHHUSA-N 1 1 317.339 3.674 20 30 DHEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CC2)ccc1OC1CCCC1 ZINC000343577587 335178815 /nfs/dbraw/zinc/17/88/15/335178815.db2.gz CSMQQLHJBRXTON-AWEZNQCLSA-N 1 1 314.429 3.971 20 30 DHEDMO COc1cc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c(F)cn1 ZINC000287902764 334158757 /nfs/dbraw/zinc/15/87/57/334158757.db2.gz ZSNIPXPSCHPLFD-DYVFJYSZSA-N 1 1 313.376 3.925 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000289266687 334164118 /nfs/dbraw/zinc/16/41/18/334164118.db2.gz GAWAZZFKHDPOKR-QRVBRYPASA-N 1 1 312.457 3.821 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000289392803 334164780 /nfs/dbraw/zinc/16/47/80/334164780.db2.gz NRXHZLLYZSWZNS-UHFFFAOYSA-N 1 1 321.424 3.919 20 30 DHEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CC2)ccc1OCC(C)C ZINC000343589361 335180000 /nfs/dbraw/zinc/18/00/00/335180000.db2.gz VUNYBRRTSOJLNA-AWEZNQCLSA-N 1 1 302.418 3.684 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)CC(C)(C)C ZINC000291152037 334177119 /nfs/dbraw/zinc/17/71/19/334177119.db2.gz DUYSBSJGYPDLNG-UHFFFAOYSA-N 1 1 319.474 3.609 20 30 DHEDMO COc1cc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)c(SC)cc1OC ZINC000293063040 334195471 /nfs/dbraw/zinc/19/54/71/334195471.db2.gz LFASQTCKOLADMH-TZMCWYRMSA-N 1 1 320.458 3.550 20 30 DHEDMO N#CCCOCC[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000293656357 334200137 /nfs/dbraw/zinc/20/01/37/334200137.db2.gz YHYIYIUQUJWKTP-HXUWFJFHSA-N 1 1 306.409 3.564 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)cc1C#N ZINC000295094321 334218440 /nfs/dbraw/zinc/21/84/40/334218440.db2.gz UFFNZRKVJHDHHW-BXUZGUMPSA-N 1 1 312.335 3.730 20 30 DHEDMO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000295123171 334219110 /nfs/dbraw/zinc/21/91/10/334219110.db2.gz WWZYGWDGXBIQAZ-ZULIPRJHSA-N 1 1 311.473 3.569 20 30 DHEDMO C[C@H]([NH2+]Cc1cc(F)cnc1Cl)c1ccc(OCC#N)cc1 ZINC000297346277 334240722 /nfs/dbraw/zinc/24/07/22/334240722.db2.gz OVQXHFSNDOCUGT-NSHDSACASA-N 1 1 319.767 3.627 20 30 DHEDMO N#Cc1cc(Cl)ccc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000535256538 334384115 /nfs/dbraw/zinc/38/41/15/334384115.db2.gz CAXITLMQGDOAMK-UHFFFAOYSA-N 1 1 317.845 3.595 20 30 DHEDMO COCC1(C#N)CC[NH+]([C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000341995001 334498960 /nfs/dbraw/zinc/49/89/60/334498960.db2.gz QUNFTGQJKSFSJF-GFCCVEGCSA-N 1 1 310.800 3.792 20 30 DHEDMO C=C1CC[NH+]([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000341991186 334504089 /nfs/dbraw/zinc/50/40/89/334504089.db2.gz FYQIQPQOSJYHHT-HXUWFJFHSA-N 1 1 320.436 3.696 20 30 DHEDMO CCC[N@@H+](CC)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000343647207 335184670 /nfs/dbraw/zinc/18/46/70/335184670.db2.gz MNOIODUXXUVSMT-QGZVFWFLSA-N 1 1 315.461 3.671 20 30 DHEDMO C[C@@H]1COC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343713003 335186228 /nfs/dbraw/zinc/18/62/28/335186228.db2.gz GWQKTNSDXGAJSD-UZLBHIALSA-N 1 1 306.409 3.715 20 30 DHEDMO C[C@@H]1COC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343713003 335186230 /nfs/dbraw/zinc/18/62/30/335186230.db2.gz GWQKTNSDXGAJSD-UZLBHIALSA-N 1 1 306.409 3.715 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343740986 335189769 /nfs/dbraw/zinc/18/97/69/335189769.db2.gz VYHCKVQEIJZPJI-LBPRGKRZSA-N 1 1 301.356 3.585 20 30 DHEDMO COc1cncc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000344075857 335215655 /nfs/dbraw/zinc/21/56/55/335215655.db2.gz MXKBYWINGQBJBW-UHFFFAOYSA-N 1 1 309.413 3.620 20 30 DHEDMO N#CC1(CCC[N@H+]2CC[C@@H](CC3CCCC3)C2)CCOCC1 ZINC000366864731 335246397 /nfs/dbraw/zinc/24/63/97/335246397.db2.gz AFYROWRKTNPSIO-SFHVURJKSA-N 1 1 304.478 3.989 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cc(F)ccc2C#N)C1 ZINC000345752036 335348116 /nfs/dbraw/zinc/34/81/16/335348116.db2.gz GOFKDQOGEJMKLE-ZRGWGRIASA-N 1 1 315.436 3.535 20 30 DHEDMO C=CCOc1ccccc1C[N@H+](C)C[C@H](C)c1nccs1 ZINC000346283099 335392189 /nfs/dbraw/zinc/39/21/89/335392189.db2.gz WYSRAOBBFCZLLC-AWEZNQCLSA-N 1 1 302.443 3.943 20 30 DHEDMO C=C(C)COCC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000346618207 335424151 /nfs/dbraw/zinc/42/41/51/335424151.db2.gz DXKAXZITRXAJJQ-GOSISDBHSA-N 1 1 318.367 3.632 20 30 DHEDMO C[C@@H]([N@@H+](C)Cc1ccc(C#N)cc1Br)C1(C)CC1 ZINC000350985493 336001949 /nfs/dbraw/zinc/00/19/49/336001949.db2.gz CNLADMLZIPTEKH-LLVKDONJSA-N 1 1 307.235 3.941 20 30 DHEDMO O=C(CC[N@H+]1CCC[C@@H](C2CC2)C1)Nc1ccc2c(c1)OCO2 ZINC000329652298 336028696 /nfs/dbraw/zinc/02/86/96/336028696.db2.gz LAPSEBOINMQSDW-CQSZACIVSA-N 1 1 316.401 3.515 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccccc1-c1ccnn1C ZINC000351395549 336031941 /nfs/dbraw/zinc/03/19/41/336031941.db2.gz ICIIUYQXNUIMRC-UHFFFAOYSA-N 1 1 310.445 3.849 20 30 DHEDMO CC1(c2cccc(Br)c2)CC[NH+](CCC#N)CC1 ZINC000351780275 336068599 /nfs/dbraw/zinc/06/85/99/336068599.db2.gz LOPUXPNNULLVLI-UHFFFAOYSA-N 1 1 307.235 3.716 20 30 DHEDMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+]([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000329837242 336088177 /nfs/dbraw/zinc/08/81/77/336088177.db2.gz VJOWDNKDYFOCOU-NUJGCVRESA-N 1 1 324.428 3.753 20 30 DHEDMO Cc1nc2c(cccc2C(=O)NCC[N@H+](C)C2CCCCC2)o1 ZINC000329911321 336094665 /nfs/dbraw/zinc/09/46/65/336094665.db2.gz NSHVEIMRIRKDQC-UHFFFAOYSA-N 1 1 315.417 3.705 20 30 DHEDMO COc1c2ccccc2oc1CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330238204 336128437 /nfs/dbraw/zinc/12/84/37/336128437.db2.gz VDFWXVNMAJYMKU-AWEZNQCLSA-N 1 1 314.385 3.525 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000352433376 336218293 /nfs/dbraw/zinc/21/82/93/336218293.db2.gz VASKSMIVWIYALD-DLBZAZTESA-N 1 1 316.832 3.745 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000352433376 336218294 /nfs/dbraw/zinc/21/82/94/336218294.db2.gz VASKSMIVWIYALD-DLBZAZTESA-N 1 1 316.832 3.745 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000352433379 336218356 /nfs/dbraw/zinc/21/83/56/336218356.db2.gz VASKSMIVWIYALD-IRXDYDNUSA-N 1 1 316.832 3.745 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000352433379 336218357 /nfs/dbraw/zinc/21/83/57/336218357.db2.gz VASKSMIVWIYALD-IRXDYDNUSA-N 1 1 316.832 3.745 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](CC)C[C@H]2CCCO2)ccc1OC ZINC000352653251 336228860 /nfs/dbraw/zinc/22/88/60/336228860.db2.gz VPMJOCSWMTZUAF-QGZVFWFLSA-N 1 1 319.445 3.651 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(O)c1OC ZINC000352695370 336230829 /nfs/dbraw/zinc/23/08/29/336230829.db2.gz YZMCLJBJCOATJN-UHFFFAOYSA-N 1 1 313.397 3.598 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(O)c1OC ZINC000352695370 336230830 /nfs/dbraw/zinc/23/08/30/336230830.db2.gz YZMCLJBJCOATJN-UHFFFAOYSA-N 1 1 313.397 3.598 20 30 DHEDMO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)c1 ZINC000532577700 336256249 /nfs/dbraw/zinc/25/62/49/336256249.db2.gz FCILFYJVZINJSX-MRXNPFEDSA-N 1 1 321.424 3.807 20 30 DHEDMO COc1ccc([C@@H]([NH2+]Cc2nc(C#N)cs2)C(C)C)cc1 ZINC000352825017 336259439 /nfs/dbraw/zinc/25/94/39/336259439.db2.gz SIXOWWWFFQILCY-INIZCTEOSA-N 1 1 301.415 3.510 20 30 DHEDMO C[C@H](CNc1ccc(C#N)cc1F)[N@H+]1CCc2sccc2C1 ZINC000301156814 336292434 /nfs/dbraw/zinc/29/24/34/336292434.db2.gz RSSAVXVBCHZKDY-GFCCVEGCSA-N 1 1 315.417 3.618 20 30 DHEDMO N#Cc1cc(Cl)ccc1NCC[N@H+]1CCc2sccc2C1 ZINC000301215137 336295284 /nfs/dbraw/zinc/29/52/84/336295284.db2.gz XJVNEHIGQQROBH-UHFFFAOYSA-N 1 1 317.845 3.743 20 30 DHEDMO C[N@H+]1CCC[C@@H](CNc2cccc(C#N)n2)[C@H]1c1cccs1 ZINC000301438507 336306787 /nfs/dbraw/zinc/30/67/87/336306787.db2.gz STXJOUZSXQHSEA-GUYCJALGSA-N 1 1 312.442 3.510 20 30 DHEDMO N#Cc1cnc2ccccc2c1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000301466306 336308552 /nfs/dbraw/zinc/30/85/52/336308552.db2.gz LQZWXVAZAXLLAN-QGZVFWFLSA-N 1 1 320.440 3.783 20 30 DHEDMO N#Cc1cc(F)c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(F)c1 ZINC000301469282 336308805 /nfs/dbraw/zinc/30/88/05/336308805.db2.gz NSQOWYMGBIGRHH-AWEZNQCLSA-N 1 1 305.372 3.513 20 30 DHEDMO CC[C@@H](C#N)Oc1cccc(CNc2nc(C)[nH+]c(C)c2C)c1 ZINC000301671014 336322505 /nfs/dbraw/zinc/32/25/05/336322505.db2.gz FLDAAIQBSUNQBQ-INIZCTEOSA-N 1 1 310.401 3.695 20 30 DHEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1snc(Cl)c1C#N ZINC000302019374 336343456 /nfs/dbraw/zinc/34/34/56/336343456.db2.gz NAMZINZCXQANGC-LLVKDONJSA-N 1 1 320.849 3.601 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000302060773 336346158 /nfs/dbraw/zinc/34/61/58/336346158.db2.gz RBDRWEZAGVRMCG-NVXWUHKLSA-N 1 1 315.436 3.788 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](C[C@H]3CCCC(F)(F)C3)CCO2)c1 ZINC000514108341 336363130 /nfs/dbraw/zinc/36/31/30/336363130.db2.gz YGXDURPVJYNJGO-DOTOQJQBSA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)CCO2)c1 ZINC000514108341 336363131 /nfs/dbraw/zinc/36/31/31/336363131.db2.gz YGXDURPVJYNJGO-DOTOQJQBSA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](C[C@@H]3CCCC(F)(F)C3)CCO2)c1 ZINC000514108344 336363205 /nfs/dbraw/zinc/36/32/05/336363205.db2.gz YGXDURPVJYNJGO-WBVHZDCISA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)CCO2)c1 ZINC000514108344 336363206 /nfs/dbraw/zinc/36/32/06/336363206.db2.gz YGXDURPVJYNJGO-WBVHZDCISA-N 1 1 320.383 3.757 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC1CC(OCC)C1 ZINC000352952305 336379082 /nfs/dbraw/zinc/37/90/82/336379082.db2.gz QFQLJPMDVVGDLT-UHFFFAOYSA-N 1 1 305.466 3.657 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2cccc(Br)c2)CC1 ZINC000106246038 336389090 /nfs/dbraw/zinc/38/90/90/336389090.db2.gz WBKPEFULOJTEQT-UHFFFAOYSA-N 1 1 323.278 3.579 20 30 DHEDMO C[C@@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)c1cccc(C#N)c1 ZINC000359993081 336696975 /nfs/dbraw/zinc/69/69/75/336696975.db2.gz LOSUCHZWCJTKLJ-GFCCVEGCSA-N 1 1 324.815 3.949 20 30 DHEDMO CC(C)([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1ccccc1 ZINC000371849409 336914458 /nfs/dbraw/zinc/91/44/58/336914458.db2.gz HVCMYCVZVKALLI-UHFFFAOYSA-N 1 1 318.380 3.633 20 30 DHEDMO N#Cc1cc(C(F)(F)F)ccc1NCc1c[nH+]c2n1CCCC2 ZINC000376488537 337034692 /nfs/dbraw/zinc/03/46/92/337034692.db2.gz QPQBSHCJIVVFNS-UHFFFAOYSA-N 1 1 320.318 3.722 20 30 DHEDMO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC000377494000 337053639 /nfs/dbraw/zinc/05/36/39/337053639.db2.gz HKFMVVJUVNBSJT-MRXNPFEDSA-N 1 1 313.426 3.621 20 30 DHEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC000377494000 337053640 /nfs/dbraw/zinc/05/36/40/337053640.db2.gz HKFMVVJUVNBSJT-MRXNPFEDSA-N 1 1 313.426 3.621 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000377688775 337058577 /nfs/dbraw/zinc/05/85/77/337058577.db2.gz CYNPWBQUPHCKGN-BEFAXECRSA-N 1 1 307.397 3.710 20 30 DHEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000378039875 337065502 /nfs/dbraw/zinc/06/55/02/337065502.db2.gz JAYFUGIYPBHABA-FXAWDEMLSA-N 1 1 307.441 3.800 20 30 DHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1C[C@H]2CCCCCC[C@@H]21 ZINC000378153987 337067289 /nfs/dbraw/zinc/06/72/89/337067289.db2.gz LCEQCTFPYIKQGE-CABCVRRESA-N 1 1 317.458 3.603 20 30 DHEDMO N#Cc1ccc(C2=CC[N@H+](Cc3nc4ccccc4o3)CC2)cc1 ZINC000378353658 337070791 /nfs/dbraw/zinc/07/07/91/337070791.db2.gz GNDRVGWAFPRAKV-UHFFFAOYSA-N 1 1 315.376 3.989 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3nc4ccccc4o3)CC2)cc1 ZINC000378353658 337070792 /nfs/dbraw/zinc/07/07/92/337070792.db2.gz GNDRVGWAFPRAKV-UHFFFAOYSA-N 1 1 315.376 3.989 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000172173649 337089801 /nfs/dbraw/zinc/08/98/01/337089801.db2.gz VJWXTJILLGPOCE-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CCCC[C@H]3c3ccccc3)n2c1 ZINC000584366320 337118546 /nfs/dbraw/zinc/11/85/46/337118546.db2.gz VPTMMUCWSFSORM-IBGZPJMESA-N 1 1 316.408 3.933 20 30 DHEDMO C=CCCCC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000175779400 337149235 /nfs/dbraw/zinc/14/92/35/337149235.db2.gz MLFSBICGTMXCQN-RHSMWYFYSA-N 1 1 306.475 3.604 20 30 DHEDMO C=CCOc1cccc(C[NH2+][C@H](COC)c2ccc(C)o2)c1 ZINC000177565292 337156381 /nfs/dbraw/zinc/15/63/81/337156381.db2.gz RQGRRKRVQUSLLC-QGZVFWFLSA-N 1 1 301.386 3.630 20 30 DHEDMO C=CCCCC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000177967713 337159485 /nfs/dbraw/zinc/15/94/85/337159485.db2.gz MGMNHAQTJYFNAB-QGZVFWFLSA-N 1 1 306.494 3.846 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000181272251 337180704 /nfs/dbraw/zinc/18/07/04/337180704.db2.gz TZHYJSQXQHJLJK-KBPBESRZSA-N 1 1 300.402 3.506 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000184094554 337196166 /nfs/dbraw/zinc/19/61/66/337196166.db2.gz OIBSIAFBGWNDGS-NSHDSACASA-N 1 1 304.287 3.549 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(Cl)cn1 ZINC000583042951 337229754 /nfs/dbraw/zinc/22/97/54/337229754.db2.gz LPQULAPSKNTJRW-UHFFFAOYSA-N 1 1 302.805 3.932 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(Cl)cn1 ZINC000583042951 337229755 /nfs/dbraw/zinc/22/97/55/337229755.db2.gz LPQULAPSKNTJRW-UHFFFAOYSA-N 1 1 302.805 3.932 20 30 DHEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000583136832 337243355 /nfs/dbraw/zinc/24/33/55/337243355.db2.gz UZBIGKYCYIZCIB-NVXWUHKLSA-N 1 1 316.445 3.846 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000185985810 337253710 /nfs/dbraw/zinc/25/37/10/337253710.db2.gz SZVAQJBWYODTJI-CABCVRRESA-N 1 1 311.429 3.960 20 30 DHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000063484341 337281851 /nfs/dbraw/zinc/28/18/51/337281851.db2.gz NBTGCXGOMPDWRE-IBGZPJMESA-N 1 1 319.408 3.724 20 30 DHEDMO CC(C)[N@@H+](Cc1cc(C#N)n(C)c1)Cc1cccc(Cl)c1 ZINC000191233327 337295023 /nfs/dbraw/zinc/29/50/23/337295023.db2.gz RCQJEHACCMVXJY-UHFFFAOYSA-N 1 1 301.821 3.961 20 30 DHEDMO Cc1nc(C(C)(C)[NH2+]Cc2ccc(C#N)c(F)c2)sc1C ZINC000192112598 337302949 /nfs/dbraw/zinc/30/29/49/337302949.db2.gz WCYHHLROLHJOGI-UHFFFAOYSA-N 1 1 303.406 3.796 20 30 DHEDMO N#CCCC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000399292402 337314943 /nfs/dbraw/zinc/31/49/43/337314943.db2.gz BJTPXWMGESGDGB-UHFFFAOYSA-N 1 1 307.781 3.764 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000102401947 337386260 /nfs/dbraw/zinc/38/62/60/337386260.db2.gz DLPGRLJNKJZRQU-CYBMUJFWSA-N 1 1 303.793 3.755 20 30 DHEDMO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000248766447 337567318 /nfs/dbraw/zinc/56/73/18/337567318.db2.gz GZIKPECDGMQHHX-LSBZLQRGSA-N 1 1 309.388 3.982 20 30 DHEDMO C=C(C)C(C)(C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000424657000 337943966 /nfs/dbraw/zinc/94/39/66/337943966.db2.gz YXBJIGUUNLOCME-OAHLLOKOSA-N 1 1 316.445 3.621 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2CCO)cc1 ZINC000426210656 338022932 /nfs/dbraw/zinc/02/29/32/338022932.db2.gz MXJVZQBPWWHURP-IBGZPJMESA-N 1 1 306.409 3.572 20 30 DHEDMO C/C(=C/c1ccccc1)C[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000426372272 338029195 /nfs/dbraw/zinc/02/91/95/338029195.db2.gz NWYWXIAWRPAKTP-YBEGLDIGSA-N 1 1 316.408 3.741 20 30 DHEDMO CC(C)OCCC[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426424362 338031915 /nfs/dbraw/zinc/03/19/15/338031915.db2.gz GZPLXSPYWXSPQR-UHFFFAOYSA-N 1 1 313.363 3.804 20 30 DHEDMO CC[C@@]1(C)CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000426459098 338032909 /nfs/dbraw/zinc/03/29/09/338032909.db2.gz LCRBQARMUMRWRG-KRWDZBQOSA-N 1 1 319.474 3.687 20 30 DHEDMO CC[C@@]1(C)CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000426459098 338032910 /nfs/dbraw/zinc/03/29/10/338032910.db2.gz LCRBQARMUMRWRG-KRWDZBQOSA-N 1 1 319.474 3.687 20 30 DHEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@H]3CCC[C@H]32)c2ccccc21 ZINC000426466952 338032982 /nfs/dbraw/zinc/03/29/82/338032982.db2.gz HOELEPBAMOKCKO-CRAIPNDOSA-N 1 1 321.424 3.612 20 30 DHEDMO N#CCCn1cc(C(=O)C[N@H+]2CC[C@H]3CCC[C@@H]32)c2ccccc21 ZINC000426466954 338033083 /nfs/dbraw/zinc/03/30/83/338033083.db2.gz HOELEPBAMOKCKO-QAPCUYQASA-N 1 1 321.424 3.612 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000428390469 338033482 /nfs/dbraw/zinc/03/34/82/338033482.db2.gz CFAWNBMQCYMBJD-LJQANCHMSA-N 1 1 301.430 3.642 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000428228209 338043105 /nfs/dbraw/zinc/04/31/05/338043105.db2.gz YODMRSPBBVYURW-UHFFFAOYSA-N 1 1 310.372 3.815 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000428228209 338043106 /nfs/dbraw/zinc/04/31/06/338043106.db2.gz YODMRSPBBVYURW-UHFFFAOYSA-N 1 1 310.372 3.815 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000428231583 338043441 /nfs/dbraw/zinc/04/34/41/338043441.db2.gz KXUIWKFYIYMGGU-UHFFFAOYSA-N 1 1 300.299 3.862 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000428231583 338043442 /nfs/dbraw/zinc/04/34/42/338043442.db2.gz KXUIWKFYIYMGGU-UHFFFAOYSA-N 1 1 300.299 3.862 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428254170 338044472 /nfs/dbraw/zinc/04/44/72/338044472.db2.gz UFFHDZWSQZILIY-AWEZNQCLSA-N 1 1 312.388 3.769 20 30 DHEDMO N#Cc1c(F)cccc1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000428292131 338045876 /nfs/dbraw/zinc/04/58/76/338045876.db2.gz ACBBFQZKTFRCCY-UHFFFAOYSA-N 1 1 309.388 3.547 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000428404773 338050318 /nfs/dbraw/zinc/05/03/18/338050318.db2.gz WDKFLHLOBHVYCX-SFHVURJKSA-N 1 1 301.430 3.642 20 30 DHEDMO CCCn1cc[nH+]c1CCCN(C)c1ccc(Cl)cc1C#N ZINC000428656833 338057961 /nfs/dbraw/zinc/05/79/61/338057961.db2.gz KVNFKQZICPNBNW-UHFFFAOYSA-N 1 1 316.836 3.887 20 30 DHEDMO CC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H](C)CO ZINC000428836676 338061737 /nfs/dbraw/zinc/06/17/37/338061737.db2.gz VDKNWZUQPLLTGB-GOSISDBHSA-N 1 1 322.452 3.589 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)CCC(=O)Nc1ccc(Cl)cc1 ZINC000429047853 338069859 /nfs/dbraw/zinc/06/98/59/338069859.db2.gz QVDXYFHOEGNWRK-UHFFFAOYSA-N 1 1 321.852 3.930 20 30 DHEDMO C=CCN(CC[N@H+](C)Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000429693890 338087448 /nfs/dbraw/zinc/08/74/48/338087448.db2.gz CQLGCDFGKOAOLA-UHFFFAOYSA-N 1 1 319.452 3.678 20 30 DHEDMO Cc1ccc2c(C[N@@H+](C)Cc3ccc(C#N)cc3)ccc(O)c2n1 ZINC000429711273 338088088 /nfs/dbraw/zinc/08/80/88/338088088.db2.gz OYXUIIPJARKKOP-UHFFFAOYSA-N 1 1 317.392 3.753 20 30 DHEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000429810359 338090482 /nfs/dbraw/zinc/09/04/82/338090482.db2.gz BEJIYCOMWUJWEE-GOSISDBHSA-N 1 1 314.473 3.760 20 30 DHEDMO C=CC[N@H+](Cc1cnnn1Cc1ccccc1)CC1CCCCC1 ZINC000430248187 338103122 /nfs/dbraw/zinc/10/31/22/338103122.db2.gz JDFDOWLZVKJYCU-UHFFFAOYSA-N 1 1 324.472 3.895 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cc1 ZINC000430289500 338104518 /nfs/dbraw/zinc/10/45/18/338104518.db2.gz NEAAUDWLZBHVRN-RTWAWAEBSA-N 1 1 318.420 3.979 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430294277 338104646 /nfs/dbraw/zinc/10/46/46/338104646.db2.gz GBEUUDVZMNIRBE-IAGOWNOFSA-N 1 1 300.446 3.716 20 30 DHEDMO C=CCC(C)(C)CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000432117144 338146212 /nfs/dbraw/zinc/14/62/12/338146212.db2.gz SAPAVUDFYYPQME-CALCHBBNSA-N 1 1 323.525 3.646 20 30 DHEDMO C[N@@H+](CCSc1ccc(Cl)c(C#N)n1)Cc1ccccc1 ZINC000432917278 338172882 /nfs/dbraw/zinc/17/28/82/338172882.db2.gz KYZZGYQARPVASE-UHFFFAOYSA-N 1 1 317.845 3.831 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C)C2)cc1OCCCC#N ZINC000433050595 338178642 /nfs/dbraw/zinc/17/86/42/338178642.db2.gz CGPOPZYMWUDAAJ-WBVHZDCISA-N 1 1 316.445 3.998 20 30 DHEDMO C=CCOc1cccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC000434981362 338228487 /nfs/dbraw/zinc/22/84/87/338228487.db2.gz FOYUUCKEVSOOHF-UHFFFAOYSA-N 1 1 310.372 3.894 20 30 DHEDMO C=CCOc1cccc(C[N@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC000434981362 338228488 /nfs/dbraw/zinc/22/84/88/338228488.db2.gz FOYUUCKEVSOOHF-UHFFFAOYSA-N 1 1 310.372 3.894 20 30 DHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000435066897 338231544 /nfs/dbraw/zinc/23/15/44/338231544.db2.gz WYFRSEGDXUJSSG-SJLPKXTDSA-N 1 1 314.429 3.530 20 30 DHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000435066897 338231545 /nfs/dbraw/zinc/23/15/45/338231545.db2.gz WYFRSEGDXUJSSG-SJLPKXTDSA-N 1 1 314.429 3.530 20 30 DHEDMO C=CC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1cccc(C#N)c1 ZINC000435135672 338233066 /nfs/dbraw/zinc/23/30/66/338233066.db2.gz SVBULVMHBDYKJT-UHFFFAOYSA-N 1 1 318.380 3.730 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1cccc(C#N)c1 ZINC000435135672 338233067 /nfs/dbraw/zinc/23/30/67/338233067.db2.gz SVBULVMHBDYKJT-UHFFFAOYSA-N 1 1 318.380 3.730 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000438086749 338330645 /nfs/dbraw/zinc/33/06/45/338330645.db2.gz UZKNTWRWRTXPBV-QGZVFWFLSA-N 1 1 324.399 3.771 20 30 DHEDMO Fc1ccc(C#CC[N@@H+](CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000438473225 338345036 /nfs/dbraw/zinc/34/50/36/338345036.db2.gz CUQPSMWSTJFKMY-NRFANRHFSA-N 1 1 323.411 3.511 20 30 DHEDMO CC(C)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000438485501 338345861 /nfs/dbraw/zinc/34/58/61/338345861.db2.gz LQVGONXTQKIQIX-OCCSQVGLSA-N 1 1 319.836 3.517 20 30 DHEDMO CCCCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000438624276 338350286 /nfs/dbraw/zinc/35/02/86/338350286.db2.gz YJPFEJFWAJJDRK-OAHLLOKOSA-N 1 1 317.433 3.751 20 30 DHEDMO CCCCC[C@@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000438624276 338350287 /nfs/dbraw/zinc/35/02/87/338350287.db2.gz YJPFEJFWAJJDRK-OAHLLOKOSA-N 1 1 317.433 3.751 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H](CCO)c1ccccc1 ZINC000439430683 338369318 /nfs/dbraw/zinc/36/93/18/338369318.db2.gz JVPPOZJFDNQSED-SFHVURJKSA-N 1 1 314.816 3.767 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H](CCO)c1ccccc1 ZINC000439430683 338369319 /nfs/dbraw/zinc/36/93/19/338369319.db2.gz JVPPOZJFDNQSED-SFHVURJKSA-N 1 1 314.816 3.767 20 30 DHEDMO CN1CC[N@H+](Cc2ccc(C#N)cc2Cl)Cc2ccccc21 ZINC000439438244 338369393 /nfs/dbraw/zinc/36/93/93/338369393.db2.gz LVFAZCZHFBPVOK-UHFFFAOYSA-N 1 1 311.816 3.664 20 30 DHEDMO CN1CC[N@@H+](Cc2ccc(C#N)cc2Cl)Cc2ccccc21 ZINC000439438244 338369394 /nfs/dbraw/zinc/36/93/94/338369394.db2.gz LVFAZCZHFBPVOK-UHFFFAOYSA-N 1 1 311.816 3.664 20 30 DHEDMO COC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(F)cc1 ZINC000439436647 338369402 /nfs/dbraw/zinc/36/94/02/338369402.db2.gz IUUXXYPCLSYGEP-KRWDZBQOSA-N 1 1 318.779 3.828 20 30 DHEDMO Cc1cnc(CC[N@H+](C)Cc2ccc(C#N)cc2Cl)s1 ZINC000439460861 338370283 /nfs/dbraw/zinc/37/02/83/338370283.db2.gz YVXDWVJDMDWXPB-UHFFFAOYSA-N 1 1 305.834 3.651 20 30 DHEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440558478 338390283 /nfs/dbraw/zinc/39/02/83/338390283.db2.gz WZFRDJKOLIVSBU-BPAFIMBUSA-N 1 1 310.441 3.728 20 30 DHEDMO C=CCC[C@H]([NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)C(=O)OCC ZINC000449657186 338644745 /nfs/dbraw/zinc/64/47/45/338644745.db2.gz NYPOIOJMWROFME-NJAFHUGGSA-N 1 1 316.445 3.595 20 30 DHEDMO C=CC[C@H]1N(C(=O)NCCCC[N@H+](C)C2CC2)CCCC1(C)C ZINC000459148738 339014826 /nfs/dbraw/zinc/01/48/26/339014826.db2.gz GCSOFAZRVHCCLR-QGZVFWFLSA-N 1 1 321.509 3.637 20 30 DHEDMO CC(C)[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000459293576 339019695 /nfs/dbraw/zinc/01/96/95/339019695.db2.gz BPELQURHZSJBPW-GOSISDBHSA-N 1 1 309.369 3.953 20 30 DHEDMO C[C@]1(c2ccccc2)CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459343945 339023104 /nfs/dbraw/zinc/02/31/04/339023104.db2.gz MRMVNCBAYHKHAO-IBGZPJMESA-N 1 1 321.380 3.630 20 30 DHEDMO C[C@]1(c2ccccc2)CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459343945 339023105 /nfs/dbraw/zinc/02/31/05/339023105.db2.gz MRMVNCBAYHKHAO-IBGZPJMESA-N 1 1 321.380 3.630 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000459484805 339032090 /nfs/dbraw/zinc/03/20/90/339032090.db2.gz HZXQNQPRGRJOEY-KRWDZBQOSA-N 1 1 321.380 3.846 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000459484805 339032091 /nfs/dbraw/zinc/03/20/91/339032091.db2.gz HZXQNQPRGRJOEY-KRWDZBQOSA-N 1 1 321.380 3.846 20 30 DHEDMO CC(C)(CC#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000459739723 339045397 /nfs/dbraw/zinc/04/53/97/339045397.db2.gz YZMCZMQGDOZUDM-YQQQUEKLSA-N 1 1 311.473 3.711 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459797304 339049079 /nfs/dbraw/zinc/04/90/79/339049079.db2.gz SBACKWNKRFBDBA-ZWKOTPCHSA-N 1 1 318.848 3.585 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459797304 339049080 /nfs/dbraw/zinc/04/90/80/339049080.db2.gz SBACKWNKRFBDBA-ZWKOTPCHSA-N 1 1 318.848 3.585 20 30 DHEDMO O[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C1CCCC1 ZINC000459801662 339049233 /nfs/dbraw/zinc/04/92/33/339049233.db2.gz LHWDBEFNVZCMFO-RBUKOAKNSA-N 1 1 317.860 3.565 20 30 DHEDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000461361339 339062403 /nfs/dbraw/zinc/06/24/03/339062403.db2.gz LTVUHLHUYLBLJP-LJQANCHMSA-N 1 1 305.425 3.659 20 30 DHEDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000461369738 339062578 /nfs/dbraw/zinc/06/25/78/339062578.db2.gz IABZUEMABNWDRK-HXUWFJFHSA-N 1 1 319.452 3.853 20 30 DHEDMO Cc1nc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(Cl)cc1C#N ZINC000461944493 339069451 /nfs/dbraw/zinc/06/94/51/339069451.db2.gz ATZFOQDYZDXHKP-HNNXBMFYSA-N 1 1 318.852 3.592 20 30 DHEDMO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(N3CCCCC3)CCCCC2)C1 ZINC000463283657 339113238 /nfs/dbraw/zinc/11/32/38/339113238.db2.gz OAGVHEWRFGIPDU-QZTJIDSGSA-N 1 1 303.494 3.847 20 30 DHEDMO CCC1(CC)C[N@@H+](Cc2ccc(OC)c(C#N)c2)CCS1 ZINC000464583039 339146057 /nfs/dbraw/zinc/14/60/57/339146057.db2.gz QKTNZFFZDIGNBV-UHFFFAOYSA-N 1 1 304.459 3.674 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C[C@H]2CCOC2)C(C)(C)C)cc1 ZINC000464688464 339148925 /nfs/dbraw/zinc/14/89/25/339148925.db2.gz LHIXMNQBPMCQLK-QGZVFWFLSA-N 1 1 303.446 3.888 20 30 DHEDMO CCC[C@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000464843297 339156947 /nfs/dbraw/zinc/15/69/47/339156947.db2.gz SHFDNRDIULENCJ-DNVCBOLYSA-N 1 1 313.445 3.787 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000466367623 339201114 /nfs/dbraw/zinc/20/11/14/339201114.db2.gz XJTFDUIRSMHETL-GOSISDBHSA-N 1 1 321.509 3.639 20 30 DHEDMO C=CC[C@H](CC)NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000466379518 339201603 /nfs/dbraw/zinc/20/16/03/339201603.db2.gz YSWNLKCJEADJNL-KRWDZBQOSA-N 1 1 317.477 3.551 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000466440837 339205163 /nfs/dbraw/zinc/20/51/63/339205163.db2.gz JGLLDZGIXDKGEY-PKOBYXMFSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CCC[N@H+](C)Cc1nc2ccccc2c(C)c1C(=O)OCC ZINC000467285091 339229838 /nfs/dbraw/zinc/22/98/38/339229838.db2.gz BLLCSXKDQGGGJT-UHFFFAOYSA-N 1 1 312.413 3.728 20 30 DHEDMO C=CCC[N@H+](C)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000467298169 339230277 /nfs/dbraw/zinc/23/02/77/339230277.db2.gz MNNTUIHQPGQPTC-CQSZACIVSA-N 1 1 313.228 3.607 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@](C)(CC)C1 ZINC000468126586 339254792 /nfs/dbraw/zinc/25/47/92/339254792.db2.gz LADXPRSPGTWUGB-MAUKXSAKSA-N 1 1 320.502 3.773 20 30 DHEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000468902627 339274205 /nfs/dbraw/zinc/27/42/05/339274205.db2.gz IMKQAJJIEAXYSA-LJQANCHMSA-N 1 1 324.399 3.913 20 30 DHEDMO CC(C)C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000468961598 339276145 /nfs/dbraw/zinc/27/61/45/339276145.db2.gz NUPWQPZRJYKUMP-CVEARBPZSA-N 1 1 313.445 3.643 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c(F)c1 ZINC000469460636 339290254 /nfs/dbraw/zinc/29/02/54/339290254.db2.gz JKSHEKXTOSLTFH-CQSZACIVSA-N 1 1 316.326 3.965 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c(F)c1 ZINC000469460636 339290255 /nfs/dbraw/zinc/29/02/55/339290255.db2.gz JKSHEKXTOSLTFH-CQSZACIVSA-N 1 1 316.326 3.965 20 30 DHEDMO CCc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000469725532 339296896 /nfs/dbraw/zinc/29/68/96/339296896.db2.gz OIWLFCWBIAMSHG-HXUWFJFHSA-N 1 1 306.409 3.694 20 30 DHEDMO CCc1cccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000469725532 339296897 /nfs/dbraw/zinc/29/68/97/339296897.db2.gz OIWLFCWBIAMSHG-HXUWFJFHSA-N 1 1 306.409 3.694 20 30 DHEDMO C=CCOc1ccc(CN(CCC)C2CC[NH2+]CC2)cc1Cl ZINC000470006847 339308226 /nfs/dbraw/zinc/30/82/26/339308226.db2.gz VLZUNCKTTYJJNR-UHFFFAOYSA-N 1 1 322.880 3.869 20 30 DHEDMO C=CCOCCC[N@H+](CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000470778193 339327624 /nfs/dbraw/zinc/32/76/24/339327624.db2.gz CNNXEEGJUROPKN-AZUAARDMSA-N 1 1 316.489 3.737 20 30 DHEDMO C=CCOCCCN(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000470778193 339327625 /nfs/dbraw/zinc/32/76/25/339327625.db2.gz CNNXEEGJUROPKN-AZUAARDMSA-N 1 1 316.489 3.737 20 30 DHEDMO C=CCOCCCN(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000470778193 339327626 /nfs/dbraw/zinc/32/76/26/339327626.db2.gz CNNXEEGJUROPKN-AZUAARDMSA-N 1 1 316.489 3.737 20 30 DHEDMO N#CCC[N@@H+](CCOc1ccc(Cl)cc1Cl)CC1CC1 ZINC000471202977 339340057 /nfs/dbraw/zinc/34/00/57/339340057.db2.gz OXYMHNIZDLOBBH-UHFFFAOYSA-N 1 1 313.228 3.998 20 30 DHEDMO N#CCC[N@H+](CCOc1ccc(Cl)cc1Cl)CC1CC1 ZINC000471202977 339340058 /nfs/dbraw/zinc/34/00/58/339340058.db2.gz OXYMHNIZDLOBBH-UHFFFAOYSA-N 1 1 313.228 3.998 20 30 DHEDMO C=C(C)CN(Cc1ccccc1)C(=O)NCC[N@H+](CC)C(C)C ZINC000471814071 339355030 /nfs/dbraw/zinc/35/50/30/339355030.db2.gz AKFNDIOMXPXPCH-UHFFFAOYSA-N 1 1 317.477 3.505 20 30 DHEDMO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCCC(C)(C)C#N ZINC000472238147 339367077 /nfs/dbraw/zinc/36/70/77/339367077.db2.gz FZTZDFUFWAHPIZ-SJORKVTESA-N 1 1 320.477 3.760 20 30 DHEDMO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCCC(C)(C)C#N ZINC000472238143 339367086 /nfs/dbraw/zinc/36/70/86/339367086.db2.gz FZTZDFUFWAHPIZ-IAGOWNOFSA-N 1 1 320.477 3.760 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000472581112 339374166 /nfs/dbraw/zinc/37/41/66/339374166.db2.gz MEAGTRNLVJTDOQ-HZPDHXFCSA-N 1 1 324.262 3.913 20 30 DHEDMO C=CCCCCNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000472829848 339378296 /nfs/dbraw/zinc/37/82/96/339378296.db2.gz IOKLDVDZUQWENR-UHFFFAOYSA-N 1 1 317.477 3.682 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1nn(CC)c2ccccc12 ZINC000473117954 339381251 /nfs/dbraw/zinc/38/12/51/339381251.db2.gz DGJILUYOTMIIRR-UHFFFAOYSA-N 1 1 309.413 3.880 20 30 DHEDMO C[C@@H]1C[C@H](C)[N@@H+](CCCCC#N)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496410037 340004863 /nfs/dbraw/zinc/00/48/63/340004863.db2.gz INYILKMBNRLERI-PMPSAXMXSA-N 1 1 323.481 3.551 20 30 DHEDMO C[N@@H+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC(C)(C)C#N ZINC000496812695 340013563 /nfs/dbraw/zinc/01/35/63/340013563.db2.gz UJMSFIYWNRMUFT-OAHLLOKOSA-N 1 1 323.481 3.505 20 30 DHEDMO COc1ccc(C#N)cc1N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000500968168 340071116 /nfs/dbraw/zinc/07/11/16/340071116.db2.gz FQTONYCTTRYSMQ-MAUKXSAKSA-N 1 1 321.424 3.814 20 30 DHEDMO C=CCC(C)(C)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000501307747 340078415 /nfs/dbraw/zinc/07/84/15/340078415.db2.gz MDHFUDHTVYQYSX-GOSISDBHSA-N 1 1 314.473 3.616 20 30 DHEDMO C[NH+](C)CCCC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000501773302 340088362 /nfs/dbraw/zinc/08/83/62/340088362.db2.gz ZQJSYXMSKXGEBS-UHFFFAOYSA-N 1 1 318.892 3.745 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000502442841 340103723 /nfs/dbraw/zinc/10/37/23/340103723.db2.gz CZNZGZSZFUZJRP-KZNAEPCWSA-N 1 1 314.473 3.568 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000502442841 340103724 /nfs/dbraw/zinc/10/37/24/340103724.db2.gz CZNZGZSZFUZJRP-KZNAEPCWSA-N 1 1 314.473 3.568 20 30 DHEDMO COc1ccc(CC[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502530268 340107073 /nfs/dbraw/zinc/10/70/73/340107073.db2.gz JVOGTXCKVVRZMZ-UHFFFAOYSA-N 1 1 318.420 3.899 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000505010658 340158654 /nfs/dbraw/zinc/15/86/54/340158654.db2.gz JUHPKVQOSBQNGP-SFHVURJKSA-N 1 1 315.461 3.609 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NCC[N@H+](C)[C@H](C)CC ZINC000505016386 340158778 /nfs/dbraw/zinc/15/87/78/340158778.db2.gz GPQUYDZTQABNDK-OAHLLOKOSA-N 1 1 303.450 3.657 20 30 DHEDMO COCC[N@@H+](C)CC[C@H](Nc1ccc(C#N)cc1)c1ccccc1 ZINC000505577397 340171568 /nfs/dbraw/zinc/17/15/68/340171568.db2.gz VKLAXTWFGMESFK-FQEVSTJZSA-N 1 1 323.440 3.680 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC000505843779 340179382 /nfs/dbraw/zinc/17/93/82/340179382.db2.gz BQEHBDOVYKCRTL-SFHVURJKSA-N 1 1 309.384 3.578 20 30 DHEDMO C[N@H+](CCOc1ccccc1Cl)Cc1ccccc1C#N ZINC000506149381 340186838 /nfs/dbraw/zinc/18/68/38/340186838.db2.gz XKYVTNMBOPCOSI-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO C[N@@H+](CCOc1ccccc1Cl)Cc1ccccc1C#N ZINC000506149381 340186839 /nfs/dbraw/zinc/18/68/39/340186839.db2.gz XKYVTNMBOPCOSI-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cccc(F)c2C#N)C1 ZINC000507022540 340205584 /nfs/dbraw/zinc/20/55/84/340205584.db2.gz OXQGNAWHQUCCHR-ZBFHGGJFSA-N 1 1 309.388 3.945 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c(OC)c1 ZINC000507152577 340209724 /nfs/dbraw/zinc/20/97/24/340209724.db2.gz WGXFKAABRDRTEH-UHFFFAOYSA-N 1 1 324.424 3.986 20 30 DHEDMO Cc1ccccc1[C@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000507181445 340211533 /nfs/dbraw/zinc/21/15/33/340211533.db2.gz QVBCKPOTPNZWQU-SFHVURJKSA-N 1 1 306.409 3.735 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCO[C@H](CC)C1 ZINC000507798955 340231863 /nfs/dbraw/zinc/23/18/63/340231863.db2.gz WRFMDSIOLJKFDA-RBUKOAKNSA-N 1 1 300.446 3.975 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000508727402 340251646 /nfs/dbraw/zinc/25/16/46/340251646.db2.gz QLDRGGHCAXZIET-QGZVFWFLSA-N 1 1 314.473 3.712 20 30 DHEDMO CC(C)CC[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CCCC1 ZINC000508838520 340254163 /nfs/dbraw/zinc/25/41/63/340254163.db2.gz XBTFQXXOKCORCS-UHFFFAOYSA-N 1 1 310.445 3.997 20 30 DHEDMO C=C(C)CC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000509261023 340264803 /nfs/dbraw/zinc/26/48/03/340264803.db2.gz ZWMKSLRJEMDKAM-CABCVRRESA-N 1 1 300.229 3.850 20 30 DHEDMO C=C(C)CC[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000509348621 340266867 /nfs/dbraw/zinc/26/68/67/340266867.db2.gz RZNWVRLISZXNAI-UHFFFAOYSA-N 1 1 321.852 3.846 20 30 DHEDMO C=C(C)CC[N@H+](CCC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000509386383 340267969 /nfs/dbraw/zinc/26/79/69/340267969.db2.gz JVFVDTIXCBGOJL-UHFFFAOYSA-N 1 1 316.493 3.740 20 30 DHEDMO N#Cc1ccccc1N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000302802131 340282389 /nfs/dbraw/zinc/28/23/89/340282389.db2.gz BSJKBNSECQCCOU-UHFFFAOYSA-N 1 1 311.816 3.534 20 30 DHEDMO C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000510874279 340313598 /nfs/dbraw/zinc/31/35/98/340313598.db2.gz YRXLRPJIISPWPZ-LLVKDONJSA-N 1 1 316.298 3.974 20 30 DHEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1c(F)cc(C#N)cc1F ZINC000303444011 340325718 /nfs/dbraw/zinc/32/57/18/340325718.db2.gz IISSFVKAAXWVRU-FRRDWIJNSA-N 1 1 307.388 3.615 20 30 DHEDMO C[C@@H]1C[C@@H](CCNc2ccc(C#N)nc2)C[N@H+]1Cc1ccccc1 ZINC000511602753 340332169 /nfs/dbraw/zinc/33/21/69/340332169.db2.gz GFRTVROZXYFYSB-SJLPKXTDSA-N 1 1 320.440 3.666 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc(OC)c1O ZINC000511859888 340340827 /nfs/dbraw/zinc/34/08/27/340340827.db2.gz QDBYTJGRJJNUEU-DOTOQJQBSA-N 1 1 301.430 3.894 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1c(CC)nn(C)c1CC ZINC000512052789 340346793 /nfs/dbraw/zinc/34/67/93/340346793.db2.gz OGJPDYQIQNSOLC-UHFFFAOYSA-N 1 1 311.473 3.776 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)CCOc1ccccc1C#N ZINC000303931806 340354805 /nfs/dbraw/zinc/35/48/05/340354805.db2.gz QRLFLCHTSMBUQX-INIZCTEOSA-N 1 1 324.424 3.509 20 30 DHEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000512415682 340361121 /nfs/dbraw/zinc/36/11/21/340361121.db2.gz NYZSUHZXBKQQAJ-WBVHZDCISA-N 1 1 305.849 3.707 20 30 DHEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000512440039 340361969 /nfs/dbraw/zinc/36/19/69/340361969.db2.gz ZMUNSMQBJMPRAY-CRAIPNDOSA-N 1 1 305.849 3.707 20 30 DHEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000512464336 340362789 /nfs/dbraw/zinc/36/27/89/340362789.db2.gz WNHMMWGFYFRHJH-MAUKXSAKSA-N 1 1 305.849 3.707 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2nc(CCC)cs2)cc1 ZINC000512564856 340367132 /nfs/dbraw/zinc/36/71/32/340367132.db2.gz MYIBMXYEEOXCJO-UHFFFAOYSA-N 1 1 302.443 3.950 20 30 DHEDMO C[N@@H+](CCCC(C)(C)C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174949373 340399945 /nfs/dbraw/zinc/39/99/45/340399945.db2.gz KAEOOQIKVCIWOS-IBGZPJMESA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@H](C#N)C[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000525993010 340707847 /nfs/dbraw/zinc/70/78/47/340707847.db2.gz CXXCEVVRXMBJNF-MRVPVSSYSA-N 1 1 321.140 3.717 20 30 DHEDMO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cn1 ZINC000542833754 341022686 /nfs/dbraw/zinc/02/26/86/341022686.db2.gz MVHNMRLKOGOMKE-CHWSQXEVSA-N 1 1 300.381 3.887 20 30 DHEDMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000543208750 341036904 /nfs/dbraw/zinc/03/69/04/341036904.db2.gz UNWCKUPFPCLQIU-HXUWFJFHSA-N 1 1 306.409 3.500 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC(F)F)c(F)c1 ZINC000131161544 341063533 /nfs/dbraw/zinc/06/35/33/341063533.db2.gz CPIGAJKQBRBWFL-UHFFFAOYSA-N 1 1 320.314 3.931 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)s1 ZINC000131190090 341064613 /nfs/dbraw/zinc/06/46/13/341064613.db2.gz BKRXIXHHGSHKIY-HNNXBMFYSA-N 1 1 312.394 3.686 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)s1 ZINC000131190090 341064614 /nfs/dbraw/zinc/06/46/14/341064614.db2.gz BKRXIXHHGSHKIY-HNNXBMFYSA-N 1 1 312.394 3.686 20 30 DHEDMO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C#N)cc1 ZINC000131208788 341065755 /nfs/dbraw/zinc/06/57/55/341065755.db2.gz DMSJVXCMMSWRJS-UHFFFAOYSA-N 1 1 302.381 3.580 20 30 DHEDMO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C#N)cc1 ZINC000131208788 341065756 /nfs/dbraw/zinc/06/57/56/341065756.db2.gz DMSJVXCMMSWRJS-UHFFFAOYSA-N 1 1 302.381 3.580 20 30 DHEDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000152627335 341076440 /nfs/dbraw/zinc/07/64/40/341076440.db2.gz HHVGJVNIUHDGHT-JXFKEZNVSA-N 1 1 320.436 3.961 20 30 DHEDMO CN(C[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1)C(=O)OC(C)(C)C ZINC000131373794 341082568 /nfs/dbraw/zinc/08/25/68/341082568.db2.gz NKYXCLZROHGQES-OAHLLOKOSA-N 1 1 323.481 3.505 20 30 DHEDMO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1cccnc1 ZINC000132496047 341124673 /nfs/dbraw/zinc/12/46/73/341124673.db2.gz QCAYPJOTNYOIJE-UHFFFAOYSA-N 1 1 304.315 3.584 20 30 DHEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1cccnc1 ZINC000132496047 341124674 /nfs/dbraw/zinc/12/46/74/341124674.db2.gz QCAYPJOTNYOIJE-UHFFFAOYSA-N 1 1 304.315 3.584 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000132726138 341143875 /nfs/dbraw/zinc/14/38/75/341143875.db2.gz CJEOUDDPHKCBKH-CQSZACIVSA-N 1 1 301.365 3.631 20 30 DHEDMO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000133733631 341183629 /nfs/dbraw/zinc/18/36/29/341183629.db2.gz NQSRMOZQJJGTQY-LJQANCHMSA-N 1 1 312.457 3.536 20 30 DHEDMO C=CCc1cc(C[N@H+](C)[C@H](CC)CSC)cc(OC)c1O ZINC000564322776 341218104 /nfs/dbraw/zinc/21/81/04/341218104.db2.gz AKTOWVLPHYZVGB-OAHLLOKOSA-N 1 1 309.475 3.703 20 30 DHEDMO C=CC[C@@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000547650905 341225114 /nfs/dbraw/zinc/22/51/14/341225114.db2.gz PGRIAIUNRNMWLW-GOSISDBHSA-N 1 1 314.473 3.679 20 30 DHEDMO CC(C)OC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000134959249 341227392 /nfs/dbraw/zinc/22/73/92/341227392.db2.gz NOJIENJJQHJZHN-UHFFFAOYSA-N 1 1 322.408 3.755 20 30 DHEDMO COc1ccc(C[N@H+](Cc2ccccc2OC)C2CC2)cc1C#N ZINC000134996268 341228329 /nfs/dbraw/zinc/22/83/29/341228329.db2.gz IUPONNPACTYDLS-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000136194853 341254745 /nfs/dbraw/zinc/25/47/45/341254745.db2.gz HRZXWCYYMVOIJA-UHFFFAOYSA-N 1 1 314.351 3.932 20 30 DHEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000548730344 341270903 /nfs/dbraw/zinc/27/09/03/341270903.db2.gz XZTKMGCEWXAWSV-BLLLJJGKSA-N 1 1 319.836 3.661 20 30 DHEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)[C@H](C)c1cccc(O)c1 ZINC000080931193 341276898 /nfs/dbraw/zinc/27/68/98/341276898.db2.gz NVXJYRQLFPMSAE-OAHLLOKOSA-N 1 1 310.397 3.726 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC[C@@H](C#N)CCC#N)cc1 ZINC000549191367 341288439 /nfs/dbraw/zinc/28/84/39/341288439.db2.gz NWPWVZGARAFLOL-YLJYHZDGSA-N 1 1 324.472 3.594 20 30 DHEDMO CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc3c[nH+]cn3c2)s1 ZINC000551483695 341342740 /nfs/dbraw/zinc/34/27/40/341342740.db2.gz UGMLGBOARXSNLK-CYBMUJFWSA-N 1 1 324.409 3.578 20 30 DHEDMO N#Cc1ccc(OCC[N@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000247691854 341369192 /nfs/dbraw/zinc/36/91/92/341369192.db2.gz WFSMHYSKAFCHCJ-UHFFFAOYSA-N 1 1 310.372 3.741 20 30 DHEDMO C=CC[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000249544614 341399066 /nfs/dbraw/zinc/39/90/66/341399066.db2.gz FXAXQMZOUQGSSV-PKOBYXMFSA-N 1 1 314.473 3.727 20 30 DHEDMO Cn1c(C[NH+]2CCC(CCC#N)CC2)nc2ccc(Cl)cc21 ZINC000577109421 341886699 /nfs/dbraw/zinc/88/66/99/341886699.db2.gz SGZKELSOBFNHEN-UHFFFAOYSA-N 1 1 316.836 3.742 20 30 DHEDMO N#Cc1csc(C[NH2+][C@@H](c2ccccc2)c2ccncc2)c1 ZINC000177691042 341923975 /nfs/dbraw/zinc/92/39/75/341923975.db2.gz MCOISLCAEKUJLF-SFHVURJKSA-N 1 1 305.406 3.894 20 30 DHEDMO C[NH+](C)Cc1cc(NC(=O)c2sccc2C#N)ccc1Cl ZINC000337252430 521892947 /nfs/dbraw/zinc/89/29/47/521892947.db2.gz OIIZFSIPEZTLDC-UHFFFAOYSA-N 1 1 319.817 3.587 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000339383159 523528850 /nfs/dbraw/zinc/52/88/50/523528850.db2.gz YNNQGPZRZOLMHN-OAHLLOKOSA-N 1 1 310.372 3.695 20 30 DHEDMO C[C@H]1CCC[N@H+]1C1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000154938505 524121133 /nfs/dbraw/zinc/12/11/33/524121133.db2.gz FUBYKAIZHLUXTE-ZDUSSCGKSA-N 1 1 303.837 3.665 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)CCS1 ZINC000368908170 524301784 /nfs/dbraw/zinc/30/17/84/524301784.db2.gz XVCOQWZMVCBRHH-ZDUSSCGKSA-N 1 1 313.426 3.541 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000157985864 524756477 /nfs/dbraw/zinc/75/64/77/524756477.db2.gz IJJDZTYOZMZYFK-OAHLLOKOSA-N 1 1 310.372 3.695 20 30 DHEDMO C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)c1cccc(C#N)c1 ZINC000337204633 525668216 /nfs/dbraw/zinc/66/82/16/525668216.db2.gz IBPMIQFJDUDDRC-BDJLRTHQSA-N 1 1 318.779 3.735 20 30 DHEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000264762867 526701979 /nfs/dbraw/zinc/70/19/79/526701979.db2.gz YOISKDDBYMOOPB-UHFFFAOYSA-N 1 1 320.436 3.987 20 30 DHEDMO Cc1oc(NC(=O)C[N@H+](C)C2CCC(C)(C)CC2)c(C#N)c1C ZINC000156778605 526776051 /nfs/dbraw/zinc/77/60/51/526776051.db2.gz OFMNKTXVFDBSAT-UHFFFAOYSA-N 1 1 317.433 3.607 20 30 DHEDMO Cc1nc2c(s1)CCC[C@@H]2C[N@H+](C)Cc1ccc(C#N)s1 ZINC000373593038 527103934 /nfs/dbraw/zinc/10/39/34/527103934.db2.gz LIKFSHLLPZGGCK-GFCCVEGCSA-N 1 1 317.483 3.937 20 30 DHEDMO C=CC[NH+]1CCN(c2cc(C)c3cccc(Cl)c3n2)CC1 ZINC001165032511 721869246 /nfs/dbraw/zinc/86/92/46/721869246.db2.gz WINXTEPUQYUICY-UHFFFAOYSA-N 1 1 301.821 3.505 20 30 DHEDMO C=CC[NH+]1CCN(c2ccc3ccc(Cl)c(C)c3n2)CC1 ZINC001165032104 721869557 /nfs/dbraw/zinc/86/95/57/721869557.db2.gz HPHXAIWAVGODKG-UHFFFAOYSA-N 1 1 301.821 3.505 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](C)C(C)(C)C ZINC001573341948 947536750 /nfs/dbraw/zinc/53/67/50/947536750.db2.gz RQSIDZBPUGFPJX-CQSZACIVSA-N 1 1 313.449 3.537 20 30 DHEDMO C=CCCCC[N@H+]1Cc2cn(CC3CC3)nc2[C@H](COCC)C1 ZINC001209200058 1013082555 /nfs/dbraw/zinc/08/25/55/1013082555.db2.gz FTISKXGGIHIBCD-SFHVURJKSA-N 1 1 317.477 3.585 20 30 DHEDMO C=CCCCC[N@H+]1CCC(F)(F)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001209206946 1013083269 /nfs/dbraw/zinc/08/32/69/1013083269.db2.gz CVROBCWPXMHRAI-ZDUSSCGKSA-N 1 1 318.408 3.577 20 30 DHEDMO C=CCN(Cc1ccc(OC)cc1)C[C@H]1CCCC[N@H+]1C(C)C ZINC001167115898 1013185669 /nfs/dbraw/zinc/18/56/69/1013185669.db2.gz KUBMNNGNBKKDKN-LJQANCHMSA-N 1 1 316.489 3.946 20 30 DHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000519002400 1013257957 /nfs/dbraw/zinc/25/79/57/1013257957.db2.gz PMGARLKKEMICNJ-BHIYHBOVSA-N 1 1 317.473 3.665 20 30 DHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000519002402 1013257170 /nfs/dbraw/zinc/25/71/70/1013257170.db2.gz PMGARLKKEMICNJ-QXAKKESOSA-N 1 1 317.473 3.665 20 30 DHEDMO C=CCCCCC[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001209422743 1013259664 /nfs/dbraw/zinc/25/96/64/1013259664.db2.gz GWOVTGDDVQXFEW-CVEARBPZSA-N 1 1 308.466 3.674 20 30 DHEDMO C=CCCCCCC[N@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001209436145 1013277916 /nfs/dbraw/zinc/27/79/16/1013277916.db2.gz NWRIUAQDQIKKII-RTBURBONSA-N 1 1 307.478 3.783 20 30 DHEDMO C=CCCCCCCCC[N@H+]1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001209442325 1013292199 /nfs/dbraw/zinc/29/21/99/1013292199.db2.gz FRYIYHKSFHESFF-GOSISDBHSA-N 1 1 319.493 3.882 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001204472857 1013426780 /nfs/dbraw/zinc/42/67/80/1013426780.db2.gz QSPGMVRVAUFLTH-LLVKDONJSA-N 1 1 300.299 3.970 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001204472857 1013426787 /nfs/dbraw/zinc/42/67/87/1013426787.db2.gz QSPGMVRVAUFLTH-LLVKDONJSA-N 1 1 300.299 3.970 20 30 DHEDMO C=CCC[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000427459714 1013541344 /nfs/dbraw/zinc/54/13/44/1013541344.db2.gz SEXWLMNIKXHBBE-MJGOQNOKSA-N 1 1 314.473 3.537 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2nc(-c3ccccn3)no2)CCCC1(C)C ZINC000683528245 1013589358 /nfs/dbraw/zinc/58/93/58/1013589358.db2.gz FKHMPOPUVPIAJP-HNNXBMFYSA-N 1 1 312.417 3.698 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000538095804 1013608062 /nfs/dbraw/zinc/60/80/62/1013608062.db2.gz BFVITGZXCUJMKM-GOSISDBHSA-N 1 1 314.473 3.888 20 30 DHEDMO CCC[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)C(C)C ZINC000519783871 1013605212 /nfs/dbraw/zinc/60/52/12/1013605212.db2.gz YOPXIXSCPYCXTF-UHFFFAOYSA-N 1 1 304.434 3.998 20 30 DHEDMO C=CC[N@H+](CCc1ccc2c(c1)CCO2)Cc1ccc(OC)cc1 ZINC000441221097 1013689241 /nfs/dbraw/zinc/68/92/41/1013689241.db2.gz VLTYONLTNKRTCS-UHFFFAOYSA-N 1 1 323.436 3.861 20 30 DHEDMO Cc1ccc(OCC[N@@H+](C)Cc2cn3ccccc3c2C#N)cc1 ZINC000141281168 1013690170 /nfs/dbraw/zinc/69/01/70/1013690170.db2.gz VIPJFUDXAZNLDZ-UHFFFAOYSA-N 1 1 319.408 3.630 20 30 DHEDMO Cc1ccc(OCC[N@H+](C)Cc2cn3ccccc3c2C#N)cc1 ZINC000141281168 1013690173 /nfs/dbraw/zinc/69/01/73/1013690173.db2.gz VIPJFUDXAZNLDZ-UHFFFAOYSA-N 1 1 319.408 3.630 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cccc4cc[nH]c43)sc2C1 ZINC001210211060 1013691478 /nfs/dbraw/zinc/69/14/78/1013691478.db2.gz OPVIEGXTOGHZBQ-UHFFFAOYSA-N 1 1 308.410 3.833 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441285199 1013702848 /nfs/dbraw/zinc/70/28/48/1013702848.db2.gz YMKDJBNINRSSAE-FUHWJXTLSA-N 1 1 312.457 3.736 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441285201 1013703499 /nfs/dbraw/zinc/70/34/99/1013703499.db2.gz YMKDJBNINRSSAE-WMZOPIPTSA-N 1 1 312.457 3.736 20 30 DHEDMO C[C@H](CCNCc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000177562281 1013739711 /nfs/dbraw/zinc/73/97/11/1013739711.db2.gz SVYQGXLDMDLIER-QGZVFWFLSA-N 1 1 307.441 3.558 20 30 DHEDMO C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000177562281 1013739732 /nfs/dbraw/zinc/73/97/32/1013739732.db2.gz SVYQGXLDMDLIER-QGZVFWFLSA-N 1 1 307.441 3.558 20 30 DHEDMO Cc1ncsc1C[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001206990048 1013770440 /nfs/dbraw/zinc/77/04/40/1013770440.db2.gz YZYFSUIEITUFNO-UHFFFAOYSA-N 1 1 315.417 3.648 20 30 DHEDMO CC(C)c1csc(NC(=O)C[N@H+](C)Cc2ccccc2)n1 ZINC000051123751 1013782258 /nfs/dbraw/zinc/78/22/58/1013782258.db2.gz FUHOMLXLPGYVKI-UHFFFAOYSA-N 1 1 303.431 3.987 20 30 DHEDMO CC(C)c1csc(NC(=O)C[N@@H+](C)Cc2ccccc2)n1 ZINC000051123751 1013782266 /nfs/dbraw/zinc/78/22/66/1013782266.db2.gz FUHOMLXLPGYVKI-UHFFFAOYSA-N 1 1 303.431 3.987 20 30 DHEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328673712 1013790930 /nfs/dbraw/zinc/79/09/30/1013790930.db2.gz PKXAXEUJYRHQCC-CABCVRRESA-N 1 1 323.481 3.743 20 30 DHEDMO C[C@H](CNC(=O)c1coc(C2CCCCC2)n1)[N@@H+](C)C1CC1 ZINC000328680658 1013792528 /nfs/dbraw/zinc/79/25/28/1013792528.db2.gz NSXICILOOZMQSV-GFCCVEGCSA-N 1 1 305.422 3.510 20 30 DHEDMO C[N@@H+](CCNC(=O)c1coc(C2CCCC2)n1)C1CCCC1 ZINC000328751113 1013795130 /nfs/dbraw/zinc/79/51/30/1013795130.db2.gz MXXZSKKSZZCASO-UHFFFAOYSA-N 1 1 305.422 3.511 20 30 DHEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000328865452 1013802711 /nfs/dbraw/zinc/80/27/11/1013802711.db2.gz BSSNESSTTNTTLL-BLLLJJGKSA-N 1 1 315.417 3.723 20 30 DHEDMO C[N@@H+](CCNC(=O)c1cc(O)ccc1Cl)C1CCCCC1 ZINC000330471200 1013818108 /nfs/dbraw/zinc/81/81/08/1013818108.db2.gz NJJRPYVPJXMZNG-UHFFFAOYSA-N 1 1 310.825 3.615 20 30 DHEDMO C=CCCCCCNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000579974863 1013827225 /nfs/dbraw/zinc/82/72/25/1013827225.db2.gz AULGTSWSKITITJ-SJORKVTESA-N 1 1 321.509 3.685 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)Cc2ccccc2O1 ZINC000561793396 1032076198 /nfs/dbraw/zinc/07/61/98/1032076198.db2.gz HIVFGRHJHAQWNV-UHFFFAOYSA-N 1 1 306.409 3.926 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C[C@H](C)O)C1CCCCC1 ZINC001167331914 1013911934 /nfs/dbraw/zinc/91/19/34/1013911934.db2.gz CRTVRDYABOQQGX-INIZCTEOSA-N 1 1 300.446 3.691 20 30 DHEDMO N#Cc1cncc(C[N@@H+](CCc2ccccc2)C2CCCC2)c1 ZINC001167337936 1013932918 /nfs/dbraw/zinc/93/29/18/1013932918.db2.gz YGIRJAUPVQGNNN-UHFFFAOYSA-N 1 1 305.425 3.941 20 30 DHEDMO C[C@H]([NH2+]Cc1nccn1Cc1ccccc1)c1cccc(C#N)c1 ZINC000610345277 1013952865 /nfs/dbraw/zinc/95/28/65/1013952865.db2.gz ZMYWXYAZQOKNBC-INIZCTEOSA-N 1 1 316.408 3.654 20 30 DHEDMO N#Cc1csc(C[NH2+]Cc2cccnc2OC2CCCC2)c1 ZINC000177684801 1013979389 /nfs/dbraw/zinc/97/93/89/1013979389.db2.gz GLHIFKUJFIVQDM-UHFFFAOYSA-N 1 1 313.426 3.626 20 30 DHEDMO C=C(C)C[N@@H+](CC)Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000044995640 1032078539 /nfs/dbraw/zinc/07/85/39/1032078539.db2.gz VFTHLDRDRCRCPL-UHFFFAOYSA-N 1 1 301.390 3.533 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000044995640 1032078556 /nfs/dbraw/zinc/07/85/56/1032078556.db2.gz VFTHLDRDRCRCPL-UHFFFAOYSA-N 1 1 301.390 3.533 20 30 DHEDMO C=CCC1(C(=O)NCC[N@H+](C)Cc2ccccc2)CCCCC1 ZINC001125431854 1014071542 /nfs/dbraw/zinc/07/15/42/1014071542.db2.gz LPVUSUAFPYSLIU-UHFFFAOYSA-N 1 1 314.473 3.761 20 30 DHEDMO C#CC[N@H+](C)Cc1cn(C(=O)OC(C)(C)C)c2ccc(C)cc12 ZINC001140253192 1014080355 /nfs/dbraw/zinc/08/03/55/1014080355.db2.gz IVOFBUJSTHVAQF-UHFFFAOYSA-N 1 1 312.413 3.798 20 30 DHEDMO N#CCSCCC[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000610412577 1014081931 /nfs/dbraw/zinc/08/19/31/1014081931.db2.gz XDPBLTZZBMPWTF-INIZCTEOSA-N 1 1 313.470 3.994 20 30 DHEDMO C=CCCCC[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001167386212 1014104117 /nfs/dbraw/zinc/10/41/17/1014104117.db2.gz BMCKHKSVSAHZKK-INIZCTEOSA-N 1 1 306.837 3.733 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000441467599 1014181513 /nfs/dbraw/zinc/18/15/13/1014181513.db2.gz FPIYFOUBTYOFAW-OIISXLGYSA-N 1 1 314.429 3.599 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](Cc2nc(C)no2)C(C)(C)C)cc1 ZINC000131815123 1014261486 /nfs/dbraw/zinc/26/14/86/1014261486.db2.gz AYVRRCONRWXIBG-UHFFFAOYSA-N 1 1 315.417 3.744 20 30 DHEDMO C=CCOc1ccc(C[N@H+](Cc2nc(C)no2)C(C)(C)C)cc1 ZINC000131815123 1014261493 /nfs/dbraw/zinc/26/14/93/1014261493.db2.gz AYVRRCONRWXIBG-UHFFFAOYSA-N 1 1 315.417 3.744 20 30 DHEDMO N#Cc1cccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000380193069 1014303284 /nfs/dbraw/zinc/30/32/84/1014303284.db2.gz QCUKTPOAOFNFAW-CEWLAPEOSA-N 1 1 317.436 3.881 20 30 DHEDMO CO[C@H](C)c1nc(CO[NH+]=C(N)C2CCCCCC2)cs1 ZINC000179004120 1014440894 /nfs/dbraw/zinc/44/08/94/1014440894.db2.gz SJUKSYGTPMANRC-LLVKDONJSA-N 1 1 311.451 3.610 20 30 DHEDMO COCC[N@@H+](CCOc1ccccc1C#N)[C@H](C)c1ccccc1 ZINC000561828188 1032092780 /nfs/dbraw/zinc/09/27/80/1032092780.db2.gz KLRGZTAHBWDIMU-QGZVFWFLSA-N 1 1 324.424 3.647 20 30 DHEDMO Cc1csc(C[C@H]2CC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000933135582 1014697879 /nfs/dbraw/zinc/69/78/79/1014697879.db2.gz XESCQPQJOLZCCM-GDBMZVCRSA-N 1 1 311.454 3.949 20 30 DHEDMO CC(C)[N@@H+](CCc1nccs1)Cc1cccc(C#N)c1F ZINC000340970664 1014714956 /nfs/dbraw/zinc/71/49/56/1014714956.db2.gz UPPLMVACSPYRLW-UHFFFAOYSA-N 1 1 303.406 3.607 20 30 DHEDMO N#Cc1cccc(Cl)c1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161883536 1014724460 /nfs/dbraw/zinc/72/44/60/1014724460.db2.gz WSOIISZPHXPKHE-RHSMWYFYSA-N 1 1 315.848 3.665 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)ccc1C#N ZINC000442832965 1014744637 /nfs/dbraw/zinc/74/46/37/1014744637.db2.gz GRDCRGXLWSZONN-BXUZGUMPSA-N 1 1 312.335 3.730 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)ccc1C#N ZINC000442832967 1014745845 /nfs/dbraw/zinc/74/58/45/1014745845.db2.gz GRDCRGXLWSZONN-FZMZJTMJSA-N 1 1 312.335 3.730 20 30 DHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(OC)c2)C1 ZINC000442891276 1014766347 /nfs/dbraw/zinc/76/63/47/1014766347.db2.gz QTOBROVACRQYMN-JKSUJKDBSA-N 1 1 304.459 3.673 20 30 DHEDMO CCC[N@H+](CC(=O)OC(C)(C)C)[C@H](C)c1cccc(C#N)c1 ZINC000442896179 1014769034 /nfs/dbraw/zinc/76/90/34/1014769034.db2.gz KLYQXZIGDSKIFN-CQSZACIVSA-N 1 1 302.418 3.673 20 30 DHEDMO CCC[N@@H+](CC(=O)OC(C)(C)C)[C@H](C)c1cccc(C#N)c1 ZINC000442896179 1014769042 /nfs/dbraw/zinc/76/90/42/1014769042.db2.gz KLYQXZIGDSKIFN-CQSZACIVSA-N 1 1 302.418 3.673 20 30 DHEDMO COCC[N@@H+](CCOc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000521858702 1014818133 /nfs/dbraw/zinc/81/81/33/1014818133.db2.gz JKMYEOYVXHNBKI-KRWDZBQOSA-N 1 1 324.424 3.647 20 30 DHEDMO C=CCCC1(C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)CC1 ZINC000581564284 1014998119 /nfs/dbraw/zinc/99/81/19/1014998119.db2.gz HFUAWOWICPGTFM-UHFFFAOYSA-N 1 1 304.478 3.527 20 30 DHEDMO CCCCOc1cc(C[NH+]2CCC(F)(C#N)CC2)ccc1OC ZINC000348673629 1015015205 /nfs/dbraw/zinc/01/52/05/1015015205.db2.gz NHIVECVKICZVBS-UHFFFAOYSA-N 1 1 320.408 3.702 20 30 DHEDMO C[C@@H]1C[C@H](C)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000443642158 1015059828 /nfs/dbraw/zinc/05/98/28/1015059828.db2.gz NGVPQPCNFVANNW-CHWSQXEVSA-N 1 1 319.836 3.518 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000625704426 1015159438 /nfs/dbraw/zinc/15/94/38/1015159438.db2.gz SIVKDECYXFUHFJ-GFCCVEGCSA-N 1 1 303.793 3.788 20 30 DHEDMO C=CCOc1c(Cl)cc(C[N@@H+](C)CCCF)cc1OC ZINC000895896640 1015358364 /nfs/dbraw/zinc/35/83/64/1015358364.db2.gz XTFQQNAQFIJJJS-UHFFFAOYSA-N 1 1 301.789 3.705 20 30 DHEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000135327842 1015479485 /nfs/dbraw/zinc/47/94/85/1015479485.db2.gz XBJVELWGYOHUDL-ZFWWWQNUSA-N 1 1 319.474 3.849 20 30 DHEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](COC)c2ccc(C)o2)cc1 ZINC000156419924 1015479635 /nfs/dbraw/zinc/47/96/35/1015479635.db2.gz VNWALLMZYJWZHV-QAPCUYQASA-N 1 1 313.397 3.638 20 30 DHEDMO CC[N@@H+](Cc1cn(C)nc1C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000891657309 1015497692 /nfs/dbraw/zinc/49/76/92/1015497692.db2.gz UQVCPOIXLZRUIN-AWEZNQCLSA-N 1 1 308.429 3.752 20 30 DHEDMO C=C1CCC(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000896351338 1015558626 /nfs/dbraw/zinc/55/86/26/1015558626.db2.gz LHADJDFZFXQJQT-ROUUACIJSA-N 1 1 318.505 3.846 20 30 DHEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000891716652 1015562680 /nfs/dbraw/zinc/56/26/80/1015562680.db2.gz VIPRMBKBABWUBP-YJBOKZPZSA-N 1 1 323.481 3.505 20 30 DHEDMO N#Cc1cccc(NC(=O)C[N@@H+](CC2CCCCC2)C2CC2)c1 ZINC000581931750 1015564876 /nfs/dbraw/zinc/56/48/76/1015564876.db2.gz BMZHKMGJTVYIRV-UHFFFAOYSA-N 1 1 311.429 3.541 20 30 DHEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000896505586 1015610755 /nfs/dbraw/zinc/61/07/55/1015610755.db2.gz OKZDSJGLUUMNEO-KRWDZBQOSA-N 1 1 322.408 3.707 20 30 DHEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000896505586 1015610764 /nfs/dbraw/zinc/61/07/64/1015610764.db2.gz OKZDSJGLUUMNEO-KRWDZBQOSA-N 1 1 322.408 3.707 20 30 DHEDMO CC(C)(C)OCCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000610682249 1015708015 /nfs/dbraw/zinc/70/80/15/1015708015.db2.gz IJGMEJBRRJBOLA-MSOLQXFVSA-N 1 1 300.446 3.963 20 30 DHEDMO C=CC(C)(C)Cc1nc(CCCCn2c[nH+]c(C)c2C)no1 ZINC000896762082 1015734167 /nfs/dbraw/zinc/73/41/67/1015734167.db2.gz CZZAXPSTCLBUIK-UHFFFAOYSA-N 1 1 302.422 3.661 20 30 DHEDMO CCC(CC)C[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000098110842 1015755726 /nfs/dbraw/zinc/75/57/26/1015755726.db2.gz DAQCVGJKLCDDIZ-CQSZACIVSA-N 1 1 301.434 3.643 20 30 DHEDMO CC[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1cccc(C#N)c1O ZINC000926293973 1015762904 /nfs/dbraw/zinc/76/29/04/1015762904.db2.gz RQDVDOWCIRUWEA-GOSISDBHSA-N 1 1 321.424 3.779 20 30 DHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc(C#N)cc2F)C1 ZINC000538099569 1015759970 /nfs/dbraw/zinc/75/99/70/1015759970.db2.gz VQLBYOHOHOODSS-RHSMWYFYSA-N 1 1 309.388 3.945 20 30 DHEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000610787173 1015786121 /nfs/dbraw/zinc/78/61/21/1015786121.db2.gz FRDRZDWYALVZBT-FQEVSTJZSA-N 1 1 322.408 3.870 20 30 DHEDMO CC[N@@H+](C[C@H](O)C1CCCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000475047404 1015800279 /nfs/dbraw/zinc/80/02/79/1015800279.db2.gz MNLSWZKMCLXBNO-KXBFYZLASA-N 1 1 300.446 3.882 20 30 DHEDMO CCCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](O)[C@](C)(CO)C1 ZINC001173309371 1033662727 /nfs/dbraw/zinc/66/27/27/1033662727.db2.gz HEJJCHAGLUGVMN-OTWHNJEPSA-N 1 1 313.526 3.971 20 30 DHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)c1 ZINC000535798865 1015828767 /nfs/dbraw/zinc/82/87/67/1015828767.db2.gz MUDUCWIJRVKTSR-HNNXBMFYSA-N 1 1 312.438 3.835 20 30 DHEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000610967922 1015969329 /nfs/dbraw/zinc/96/93/29/1015969329.db2.gz XGNPBBSFLZKCFA-RDJZCZTQSA-N 1 1 306.413 3.791 20 30 DHEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000610967922 1015969337 /nfs/dbraw/zinc/96/93/37/1015969337.db2.gz XGNPBBSFLZKCFA-RDJZCZTQSA-N 1 1 306.413 3.791 20 30 DHEDMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000610967921 1015969884 /nfs/dbraw/zinc/96/98/84/1015969884.db2.gz XGNPBBSFLZKCFA-NVXWUHKLSA-N 1 1 306.413 3.791 20 30 DHEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000610967921 1015969892 /nfs/dbraw/zinc/96/98/92/1015969892.db2.gz XGNPBBSFLZKCFA-NVXWUHKLSA-N 1 1 306.413 3.791 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)ccn1 ZINC000610994813 1016004629 /nfs/dbraw/zinc/00/46/29/1016004629.db2.gz RRSANVZSTXZQAT-OAQYLSRUSA-N 1 1 317.436 3.823 20 30 DHEDMO C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccnc(C#N)c2)C2CC2)o1 ZINC000610995305 1016007932 /nfs/dbraw/zinc/00/79/32/1016007932.db2.gz JRQNZANHHAFISW-SCLBCKFNSA-N 1 1 307.397 3.834 20 30 DHEDMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccnc(C#N)c2)C2CC2)o1 ZINC000610995305 1016007941 /nfs/dbraw/zinc/00/79/41/1016007941.db2.gz JRQNZANHHAFISW-SCLBCKFNSA-N 1 1 307.397 3.834 20 30 DHEDMO C[N@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)Cc1ccccc1O ZINC000119531538 1016134273 /nfs/dbraw/zinc/13/42/73/1016134273.db2.gz IKMVYVUXZBDBCC-UHFFFAOYSA-N 1 1 319.364 3.551 20 30 DHEDMO C[N@@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)Cc1ccccc1O ZINC000119531538 1016134280 /nfs/dbraw/zinc/13/42/80/1016134280.db2.gz IKMVYVUXZBDBCC-UHFFFAOYSA-N 1 1 319.364 3.551 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000342243706 1016179933 /nfs/dbraw/zinc/17/99/33/1016179933.db2.gz OLXJXDQEFORFRK-BETUJISGSA-N 1 1 319.836 3.518 20 30 DHEDMO C=C(Br)C[N@@H+](C)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001167533776 1016305777 /nfs/dbraw/zinc/30/57/77/1016305777.db2.gz LEKAPAWZTQRMDK-UONOGXRCSA-N 1 1 316.283 3.955 20 30 DHEDMO C=C(Br)C[N@H+](C)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001167533776 1016305788 /nfs/dbraw/zinc/30/57/88/1016305788.db2.gz LEKAPAWZTQRMDK-UONOGXRCSA-N 1 1 316.283 3.955 20 30 DHEDMO C=C(Br)C[N@@H+](C)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001167533775 1016306112 /nfs/dbraw/zinc/30/61/12/1016306112.db2.gz LEKAPAWZTQRMDK-KGLIPLIRSA-N 1 1 316.283 3.955 20 30 DHEDMO C=C(Br)C[N@H+](C)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001167533775 1016306118 /nfs/dbraw/zinc/30/61/18/1016306118.db2.gz LEKAPAWZTQRMDK-KGLIPLIRSA-N 1 1 316.283 3.955 20 30 DHEDMO COC1CCC(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000892200717 1016418478 /nfs/dbraw/zinc/41/84/78/1016418478.db2.gz HJCYQRLMJDTDRO-DXBWTPJFSA-N 1 1 312.457 3.963 20 30 DHEDMO COC1CCC(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000892200721 1016419615 /nfs/dbraw/zinc/41/96/15/1016419615.db2.gz HJCYQRLMJDTDRO-PEVDHWGLSA-N 1 1 312.457 3.963 20 30 DHEDMO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCCCC1 ZINC000075593872 1016489589 /nfs/dbraw/zinc/48/95/89/1016489589.db2.gz JZDJDOVRAKFNSW-UHFFFAOYSA-N 1 1 310.401 3.763 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)CC1CCC2(CC1)OCCO2 ZINC000190168103 1016491969 /nfs/dbraw/zinc/49/19/69/1016491969.db2.gz OJHVFMJBVKLGTH-UHFFFAOYSA-N 1 1 307.459 3.669 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000072553303 1016547951 /nfs/dbraw/zinc/54/79/51/1016547951.db2.gz JZQQIYZNQRINHV-UHFFFAOYSA-N 1 1 314.401 3.838 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000072553303 1016547954 /nfs/dbraw/zinc/54/79/54/1016547954.db2.gz JZQQIYZNQRINHV-UHFFFAOYSA-N 1 1 314.401 3.838 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)Cc1ccsc1 ZINC000582268657 1016545642 /nfs/dbraw/zinc/54/56/42/1016545642.db2.gz YDJSZZWWDMIEPR-CQSZACIVSA-N 1 1 305.443 3.843 20 30 DHEDMO C=CCCC[N@H+](CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000172173495 1016649657 /nfs/dbraw/zinc/64/96/57/1016649657.db2.gz ITMQUCRAZXNWEP-UHFFFAOYSA-N 1 1 314.351 3.721 20 30 DHEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000127567205 1016684068 /nfs/dbraw/zinc/68/40/68/1016684068.db2.gz ASIGUGPAEJZPCH-MAUKXSAKSA-N 1 1 316.408 3.584 20 30 DHEDMO N#Cc1ccc(CN2C[C@H]3CCC[N@H+]3Cc3ccccc32)cc1 ZINC000342529921 1016692256 /nfs/dbraw/zinc/69/22/56/1016692256.db2.gz KNJYEDXIWJGQFR-LJQANCHMSA-N 1 1 303.409 3.543 20 30 DHEDMO C=C(C)[C@H](CC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)OCC ZINC000281755291 1016703629 /nfs/dbraw/zinc/70/36/29/1016703629.db2.gz SZQLNQOITCAUCQ-INIZCTEOSA-N 1 1 324.852 3.711 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1ccnn1CC1CC1)c1ccc(F)c(F)c1 ZINC000657436329 1016776997 /nfs/dbraw/zinc/77/69/97/1016776997.db2.gz KEMYSZVLMFVLRP-GOSISDBHSA-N 1 1 317.383 3.978 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CCN(c2ccc(F)cc2)CC1 ZINC000072666872 1016778566 /nfs/dbraw/zinc/77/85/66/1016778566.db2.gz IWAIUFMRSHZGSX-UHFFFAOYSA-N 1 1 323.415 3.798 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)cc1C#N ZINC000347203422 1016782181 /nfs/dbraw/zinc/78/21/81/1016782181.db2.gz PNGDODOUTPJTJF-KSSFIOAISA-N 1 1 307.397 3.545 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1ccnn1CCC)c1ccc(F)c(F)c1 ZINC000657438224 1016795061 /nfs/dbraw/zinc/79/50/61/1016795061.db2.gz WYUWJHHATKEJKU-KRWDZBQOSA-N 1 1 305.372 3.978 20 30 DHEDMO CCS[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000347247917 1016810820 /nfs/dbraw/zinc/81/08/20/1016810820.db2.gz ZRMQEQYEBUREQI-MRXNPFEDSA-N 1 1 304.459 3.674 20 30 DHEDMO CCS[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000347247916 1016812255 /nfs/dbraw/zinc/81/22/55/1016812255.db2.gz ZRMQEQYEBUREQI-INIZCTEOSA-N 1 1 304.459 3.674 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000159009490 1016850539 /nfs/dbraw/zinc/85/05/39/1016850539.db2.gz BTOGCDYZAKITKN-UHFFFAOYSA-N 1 1 302.418 3.776 20 30 DHEDMO N#CCSCCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000347295356 1016853816 /nfs/dbraw/zinc/85/38/16/1016853816.db2.gz FANCMKXXZUVWCA-CQSZACIVSA-N 1 1 320.462 3.511 20 30 DHEDMO N#CCSCCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000347295356 1016853820 /nfs/dbraw/zinc/85/38/20/1016853820.db2.gz FANCMKXXZUVWCA-CQSZACIVSA-N 1 1 320.462 3.511 20 30 DHEDMO N#CCc1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000342702868 1017043063 /nfs/dbraw/zinc/04/30/63/1017043063.db2.gz ZVHNFJWKRJHSQT-OAQYLSRUSA-N 1 1 320.436 3.934 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000523009200 1017061129 /nfs/dbraw/zinc/06/11/29/1017061129.db2.gz RBAAACUMOAVMHW-SFHVURJKSA-N 1 1 306.425 3.537 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)Cc1ccccc1[N+](=O)[O-] ZINC000929164789 1032154943 /nfs/dbraw/zinc/15/49/43/1032154943.db2.gz MKNODSFIFIAVIB-UHFFFAOYSA-N 1 1 301.390 3.891 20 30 DHEDMO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000342784586 1017233625 /nfs/dbraw/zinc/23/36/25/1017233625.db2.gz QRXYZWXNLLQGMM-MAUKXSAKSA-N 1 1 308.429 3.778 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000847024455 1032182583 /nfs/dbraw/zinc/18/25/83/1032182583.db2.gz JAZHJWVXLSWMGO-NSHDSACASA-N 1 1 308.303 3.692 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000847024455 1032182588 /nfs/dbraw/zinc/18/25/88/1032182588.db2.gz JAZHJWVXLSWMGO-NSHDSACASA-N 1 1 308.303 3.692 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000847033664 1032184515 /nfs/dbraw/zinc/18/45/15/1032184515.db2.gz ZAXAMAWSDYZQAJ-CHWSQXEVSA-N 1 1 303.356 3.838 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000847033664 1032184524 /nfs/dbraw/zinc/18/45/24/1032184524.db2.gz ZAXAMAWSDYZQAJ-CHWSQXEVSA-N 1 1 303.356 3.838 20 30 DHEDMO Cc1nc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c(C)s1 ZINC000772959424 1032196976 /nfs/dbraw/zinc/19/69/76/1032196976.db2.gz MURLKYMAXVJLJF-NSHDSACASA-N 1 1 301.415 3.513 20 30 DHEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000117878617 1032230827 /nfs/dbraw/zinc/23/08/27/1032230827.db2.gz ZQDBPVXHXYLLLQ-HNNXBMFYSA-N 1 1 319.424 3.625 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)c2ccn(C)n2)cc1 ZINC000840815045 1017078475 /nfs/dbraw/zinc/07/84/75/1017078475.db2.gz BJDOFFLUAGXYMC-UONOGXRCSA-N 1 1 319.836 3.963 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CCOC(C)(C)[C@H]2C)ccc1OC ZINC000537624384 1032327726 /nfs/dbraw/zinc/32/77/26/1032327726.db2.gz ZYBUMFYMXSOSBA-OAHLLOKOSA-N 1 1 319.445 3.649 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCOC(C)(C)[C@H]2C)ccc1OC ZINC000537624384 1032327743 /nfs/dbraw/zinc/32/77/43/1032327743.db2.gz ZYBUMFYMXSOSBA-OAHLLOKOSA-N 1 1 319.445 3.649 20 30 DHEDMO COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCC[C@H](CC#N)C1)CC2 ZINC001171322019 1032364903 /nfs/dbraw/zinc/36/49/03/1032364903.db2.gz QSJUCSRJIQUUKN-ZIAGYGMSSA-N 1 1 318.848 3.832 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](C)CCCOCc1ccccc1 ZINC000384286709 1017268411 /nfs/dbraw/zinc/26/84/11/1017268411.db2.gz OXIYSMSPHXZZFD-UHFFFAOYSA-N 1 1 324.424 3.606 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NC[C@H]2C[C@@](C)(O)C2)cc1 ZINC001168344082 1032440680 /nfs/dbraw/zinc/44/06/80/1032440680.db2.gz KDGJFUIKEVSWGM-ZYSHUDEJSA-N 1 1 300.446 3.582 20 30 DHEDMO Cc1cc(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(C)[nH]1 ZINC000348119983 1032466341 /nfs/dbraw/zinc/46/63/41/1032466341.db2.gz HAZNATNTPWQJSL-UHFFFAOYSA-N 1 1 309.413 3.597 20 30 DHEDMO Cc1cc(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c(C)[nH]1 ZINC000348119983 1032466345 /nfs/dbraw/zinc/46/63/45/1032466345.db2.gz HAZNATNTPWQJSL-UHFFFAOYSA-N 1 1 309.413 3.597 20 30 DHEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000091919568 1032464153 /nfs/dbraw/zinc/46/41/53/1032464153.db2.gz KFUXALMYSZZSPO-INIZCTEOSA-N 1 1 316.445 4.000 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@H]1CCc3c(F)cc(F)cc3C1)CC2 ZINC001171364731 1032517731 /nfs/dbraw/zinc/51/77/31/1032517731.db2.gz CKQPOOOBHJNZJT-SFHVURJKSA-N 1 1 324.374 3.752 20 30 DHEDMO C=CCOc1ccccc1[C@@H](C)Nc1nc2c(ccn2C)c[nH+]1 ZINC001171368475 1032522244 /nfs/dbraw/zinc/52/22/44/1032522244.db2.gz GMZFJPBZEWBMLR-CYBMUJFWSA-N 1 1 308.385 3.706 20 30 DHEDMO CC(C)(C)C[N@H+](CCC#N)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000093101202 1032523196 /nfs/dbraw/zinc/52/31/96/1032523196.db2.gz BKYTVRVWCHSSIR-UHFFFAOYSA-N 1 1 314.408 3.978 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000093101202 1032523198 /nfs/dbraw/zinc/52/31/98/1032523198.db2.gz BKYTVRVWCHSSIR-UHFFFAOYSA-N 1 1 314.408 3.978 20 30 DHEDMO C[C@H]1SCC[N@@H+](Cc2cccc(OCCCC#N)c2)[C@H]1C ZINC000093500318 1032543336 /nfs/dbraw/zinc/54/33/36/1032543336.db2.gz DEVUFLPVRYKPGN-LSDHHAIUSA-N 1 1 304.459 3.695 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171379033 1032548452 /nfs/dbraw/zinc/54/84/52/1032548452.db2.gz BBIYUFUKESVIFR-KRWDZBQOSA-N 1 1 312.363 3.826 20 30 DHEDMO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1nc2ccccc2o1 ZINC000153869058 1011936809 /nfs/dbraw/zinc/93/68/09/1011936809.db2.gz XUVXDOMWDMYHJD-UHFFFAOYSA-N 1 1 321.380 3.600 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCCC[C@@H]1C ZINC000120094823 1011976152 /nfs/dbraw/zinc/97/61/52/1011976152.db2.gz FVKBOVGLCKIXMQ-ZFWWWQNUSA-N 1 1 319.474 3.849 20 30 DHEDMO COc1ccc(C[N@H+](Cc2ccccc2F)C2CC2)cc1C#N ZINC000340126866 1017106375 /nfs/dbraw/zinc/10/63/75/1017106375.db2.gz NBXBUHRBKIFYCD-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccccc2F)C2CC2)cc1C#N ZINC000340126866 1017106382 /nfs/dbraw/zinc/10/63/82/1017106382.db2.gz NBXBUHRBKIFYCD-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO CC(C)(CN[C@@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCCC1 ZINC000616367092 1012038833 /nfs/dbraw/zinc/03/88/33/1012038833.db2.gz JDIFAKISJFAJPP-LJQANCHMSA-N 1 1 311.473 3.647 20 30 DHEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000577646223 1012064855 /nfs/dbraw/zinc/06/48/55/1012064855.db2.gz IIKSWQYQPBRKCF-KXBFYZLASA-N 1 1 321.424 3.935 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424695893 1012093777 /nfs/dbraw/zinc/09/37/77/1012093777.db2.gz MJLYJOXOMWURGC-SFHVURJKSA-N 1 1 314.473 3.569 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)c(F)c1 ZINC000064792907 1012113113 /nfs/dbraw/zinc/11/31/13/1012113113.db2.gz JXUAGHUSEDFVOB-UHFFFAOYSA-N 1 1 310.372 3.741 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000514082233 1012265689 /nfs/dbraw/zinc/26/56/89/1012265689.db2.gz GJYMVCNABUQFAL-AWEZNQCLSA-N 1 1 308.853 3.757 20 30 DHEDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000514189683 1012292012 /nfs/dbraw/zinc/29/20/12/1012292012.db2.gz NDMFTVCSGALGMJ-FQEVSTJZSA-N 1 1 320.436 3.953 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccnn1CC1CCC1 ZINC000924981686 1012299837 /nfs/dbraw/zinc/29/98/37/1012299837.db2.gz XAGHFGYBXHYDTD-CYBMUJFWSA-N 1 1 312.392 3.545 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(CNc2c(C#N)cccc2[N+](=O)[O-])c1 ZINC000425214387 1012356550 /nfs/dbraw/zinc/35/65/50/1012356550.db2.gz JIRBXKFFCZUSHU-UHFFFAOYSA-N 1 1 324.384 3.530 20 30 DHEDMO COCCOc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425365580 1012491564 /nfs/dbraw/zinc/49/15/64/1012491564.db2.gz LXWQDEWRBJOKCT-MRXNPFEDSA-N 1 1 324.424 3.776 20 30 DHEDMO Cc1cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)ccc1C#N ZINC000425367610 1012495309 /nfs/dbraw/zinc/49/53/09/1012495309.db2.gz CEMYYJPMIZNVSJ-IBGZPJMESA-N 1 1 310.441 3.648 20 30 DHEDMO C=CCCCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000515595159 1012672806 /nfs/dbraw/zinc/67/28/06/1012672806.db2.gz DKLNDYNZXXPTLN-MRXNPFEDSA-N 1 1 319.449 3.847 20 30 DHEDMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(C#N)cc1 ZINC001167960319 1012675658 /nfs/dbraw/zinc/67/56/58/1012675658.db2.gz XYEQKTOXSDNLNF-PHHCVGHBSA-N 1 1 309.457 3.614 20 30 DHEDMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(C#N)cc1 ZINC001167960319 1012675669 /nfs/dbraw/zinc/67/56/69/1012675669.db2.gz XYEQKTOXSDNLNF-PHHCVGHBSA-N 1 1 309.457 3.614 20 30 DHEDMO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1CC1(C#N)CCC1 ZINC000425472398 1012682181 /nfs/dbraw/zinc/68/21/81/1012682181.db2.gz IWNXQOBSPLZWMB-OAHLLOKOSA-N 1 1 306.450 3.657 20 30 DHEDMO C[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)[C@H]1C(=O)OC(C)(C)C ZINC000425521619 1012726616 /nfs/dbraw/zinc/72/66/16/1012726616.db2.gz KKDFFNAPYSUNMO-HUUCEWRRSA-N 1 1 308.466 3.759 20 30 DHEDMO CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000425530093 1012727838 /nfs/dbraw/zinc/72/78/38/1012727838.db2.gz DLZVBVSIUMTDMM-HNNXBMFYSA-N 1 1 323.440 3.872 20 30 DHEDMO CCn1c(C)cc(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000425530093 1012727851 /nfs/dbraw/zinc/72/78/51/1012727851.db2.gz DLZVBVSIUMTDMM-HNNXBMFYSA-N 1 1 323.440 3.872 20 30 DHEDMO C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425533846 1012730505 /nfs/dbraw/zinc/73/05/05/1012730505.db2.gz LLRZSZXOSVHYOU-JXXFODFXSA-N 1 1 308.425 3.716 20 30 DHEDMO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425533847 1012732679 /nfs/dbraw/zinc/73/26/79/1012732679.db2.gz LLRZSZXOSVHYOU-QINHECLXSA-N 1 1 308.425 3.716 20 30 DHEDMO Cc1c(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000425540446 1012738664 /nfs/dbraw/zinc/73/86/64/1012738664.db2.gz VIKPVPZZJBMFEU-AWEZNQCLSA-N 1 1 309.369 3.968 20 30 DHEDMO CCC[N@@H+](C[C@H]1COc2ccccc2O1)CC(C)(C)CCC#N ZINC000179652532 1012764391 /nfs/dbraw/zinc/76/43/91/1012764391.db2.gz UNBNCOSEBINHAG-INIZCTEOSA-N 1 1 316.445 3.868 20 30 DHEDMO C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCC#N ZINC000517557150 1013005743 /nfs/dbraw/zinc/00/57/43/1013005743.db2.gz YWAWQXZAFRLLEB-RNCFNFMXSA-N 1 1 311.248 3.735 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c(F)c1 ZINC000609800562 1017191454 /nfs/dbraw/zinc/19/14/54/1017191454.db2.gz NTVLBJWRWYBGHZ-GOSISDBHSA-N 1 1 312.413 3.987 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)c(F)c1 ZINC000609800562 1017191463 /nfs/dbraw/zinc/19/14/63/1017191463.db2.gz NTVLBJWRWYBGHZ-GOSISDBHSA-N 1 1 312.413 3.987 20 30 DHEDMO C[N@@H+](CCCNc1snc(Cl)c1C#N)C1CCCCC1 ZINC000076648332 1017406569 /nfs/dbraw/zinc/40/65/69/1017406569.db2.gz HMJWJMYQKARRJA-UHFFFAOYSA-N 1 1 312.870 3.735 20 30 DHEDMO C[C@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccc(C#N)cc1F ZINC000342813002 1017422865 /nfs/dbraw/zinc/42/28/65/1017422865.db2.gz NXGZRCVZUZDCDV-JTQLQIEISA-N 1 1 321.302 3.545 20 30 DHEDMO N#Cc1ccc(N2CCC(c3[nH]cc[nH+]3)CC2)c(C(F)(F)F)c1 ZINC000609961802 1017455373 /nfs/dbraw/zinc/45/53/73/1017455373.db2.gz IHTVWRAXQITCHC-UHFFFAOYSA-N 1 1 320.318 3.684 20 30 DHEDMO N#Cc1cccc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@@H](CO)C2)c1 ZINC000347335974 1017497746 /nfs/dbraw/zinc/49/77/46/1017497746.db2.gz KCIIJFCVBPGHGH-QZTJIDSGSA-N 1 1 324.449 3.559 20 30 DHEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268620829 1017565834 /nfs/dbraw/zinc/56/58/34/1017565834.db2.gz NPGWSOLNDVEYKM-ACJLOTCBSA-N 1 1 314.816 3.938 20 30 DHEDMO CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1COc2ccccc2O1 ZINC000444588272 1017578873 /nfs/dbraw/zinc/57/88/73/1017578873.db2.gz DNELDMLKQGVOHO-MRXNPFEDSA-N 1 1 316.445 3.868 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1ccc([S@](C)=O)cc1 ZINC000444635315 1017594369 /nfs/dbraw/zinc/59/43/69/1017594369.db2.gz AJRFSOQVUFHXEE-NRFANRHFSA-N 1 1 306.475 3.576 20 30 DHEDMO C[N@@H+](CCOc1ccc(C#N)cc1)CC1(c2ccccc2)CC1 ZINC000444686825 1017615985 /nfs/dbraw/zinc/61/59/85/1017615985.db2.gz DTILFDPBQPWXEA-UHFFFAOYSA-N 1 1 306.409 3.601 20 30 DHEDMO CC[C@@H](O)C[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000444682404 1017628156 /nfs/dbraw/zinc/62/81/56/1017628156.db2.gz TZXPGNRSQPOGAM-GOSISDBHSA-N 1 1 302.462 3.980 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c(Cl)c1 ZINC000444694999 1017633310 /nfs/dbraw/zinc/63/33/10/1017633310.db2.gz RCPPIWWHJQPVOK-LLVKDONJSA-N 1 1 302.727 3.986 20 30 DHEDMO FC(F)(F)C[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000444700469 1017638649 /nfs/dbraw/zinc/63/86/49/1017638649.db2.gz FRQFIUJISISPLC-GFCCVEGCSA-N 1 1 301.739 3.966 20 30 DHEDMO FC(F)(F)C[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000444700469 1017638650 /nfs/dbraw/zinc/63/86/50/1017638650.db2.gz FRQFIUJISISPLC-GFCCVEGCSA-N 1 1 301.739 3.966 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2nc(-c3ccco3)no2)CCCC1(C)C ZINC000444795135 1017684280 /nfs/dbraw/zinc/68/42/80/1017684280.db2.gz XGUURQAIHFFGCO-AWEZNQCLSA-N 1 1 301.390 3.896 20 30 DHEDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000523451086 1017692852 /nfs/dbraw/zinc/69/28/52/1017692852.db2.gz QLFXSTUCSACXLA-CQSZACIVSA-N 1 1 310.372 3.695 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)N(C)Cc1ccccc1C ZINC000523555644 1017727974 /nfs/dbraw/zinc/72/79/74/1017727974.db2.gz RZEFLEXZAZYZHA-UHFFFAOYSA-N 1 1 302.462 3.632 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000625701435 1017779657 /nfs/dbraw/zinc/77/96/57/1017779657.db2.gz JPPNOFKWFQGJSV-APWZRJJASA-N 1 1 301.430 3.642 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC000625705077 1017786839 /nfs/dbraw/zinc/78/68/39/1017786839.db2.gz RHTPTXBWKVPIHG-CQSZACIVSA-N 1 1 304.459 3.635 20 30 DHEDMO N#Cc1cccc(C[N@H+](CCCO)Cc2cccc(Cl)c2)c1 ZINC000134288133 1017789215 /nfs/dbraw/zinc/78/92/15/1017789215.db2.gz RDTMIHDAZRYHDO-UHFFFAOYSA-N 1 1 314.816 3.596 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000523791958 1017793321 /nfs/dbraw/zinc/79/33/21/1017793321.db2.gz ZCDVEOXBTGXOMO-GOSISDBHSA-N 1 1 324.449 3.727 20 30 DHEDMO C=CCCC[N@H+](C)Cc1coc(-c2ccc(C(=O)OC)cc2)n1 ZINC000182181348 1017872847 /nfs/dbraw/zinc/87/28/47/1017872847.db2.gz KGNWOLCDYVQBGO-UHFFFAOYSA-N 1 1 314.385 3.526 20 30 DHEDMO CCOc1cccc2cc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)oc21 ZINC000182651100 1017938749 /nfs/dbraw/zinc/93/87/49/1017938749.db2.gz AIXKLKZIFQQVSP-ZIAGYGMSSA-N 1 1 311.385 3.926 20 30 DHEDMO C[C@H](C#N)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000183818083 1018046421 /nfs/dbraw/zinc/04/64/21/1018046421.db2.gz SUTHFWHMPUWOHF-CQSZACIVSA-N 1 1 322.437 3.850 20 30 DHEDMO C=CCCC[C@@H](C)[N@@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000091555426 1018062815 /nfs/dbraw/zinc/06/28/15/1018062815.db2.gz MGJHAQLQVREXLG-MRXNPFEDSA-N 1 1 302.462 3.955 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)cc1 ZINC000858012283 1032741798 /nfs/dbraw/zinc/74/17/98/1032741798.db2.gz YPJHBFKPZPNYLD-IBGZPJMESA-N 1 1 324.424 3.608 20 30 DHEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000441032155 1018144084 /nfs/dbraw/zinc/14/40/84/1018144084.db2.gz KOQLFMVMCSADGX-BFUOFWGJSA-N 1 1 310.372 3.521 20 30 DHEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000441032155 1018144088 /nfs/dbraw/zinc/14/40/88/1018144088.db2.gz KOQLFMVMCSADGX-BFUOFWGJSA-N 1 1 310.372 3.521 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNc3ncccc3C#N)cc2)C1 ZINC000052158041 1018156713 /nfs/dbraw/zinc/15/67/13/1018156713.db2.gz KIUPXGJTTDWSRZ-INIZCTEOSA-N 1 1 320.440 3.797 20 30 DHEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000245445269 1018163015 /nfs/dbraw/zinc/16/30/15/1018163015.db2.gz YSIYJBBWHAPHJB-FOIQADDNSA-N 1 1 319.408 3.580 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000525121853 1018174074 /nfs/dbraw/zinc/17/40/74/1018174074.db2.gz HOMHNKYYQSUJBG-IEBWSBKVSA-N 1 1 314.473 3.537 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000381722337 1018271847 /nfs/dbraw/zinc/27/18/47/1018271847.db2.gz CSZWVFSLIINNBB-IBGZPJMESA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@@H](C1CCCCC1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000447391653 1018386900 /nfs/dbraw/zinc/38/69/00/1018386900.db2.gz KRPAJCGUZRLPQX-HNNXBMFYSA-N 1 1 313.445 3.787 20 30 DHEDMO C=C(Cl)C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000156056288 1018394824 /nfs/dbraw/zinc/39/48/24/1018394824.db2.gz CHYBSURWYJOFFI-CYBMUJFWSA-N 1 1 321.783 3.808 20 30 DHEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000156056288 1018394843 /nfs/dbraw/zinc/39/48/43/1018394843.db2.gz CHYBSURWYJOFFI-CYBMUJFWSA-N 1 1 321.783 3.808 20 30 DHEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000246057002 1018395056 /nfs/dbraw/zinc/39/50/56/1018395056.db2.gz QSDPGJYRKHSYNM-LDQXTDLNSA-N 1 1 320.436 3.778 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](CC)Cc2ccoc2)cc1OC ZINC000092935891 1018421633 /nfs/dbraw/zinc/42/16/33/1018421633.db2.gz OQOOJEDHIOEIQW-UHFFFAOYSA-N 1 1 301.386 3.875 20 30 DHEDMO CC(C)(CCC#N)C[NH2+]C[C@H]1CCCN1CC1CCCCC1 ZINC000174373035 1018422227 /nfs/dbraw/zinc/42/22/27/1018422227.db2.gz AJRLMAPJGIPAQV-GOSISDBHSA-N 1 1 305.510 3.951 20 30 DHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000246440632 1018468538 /nfs/dbraw/zinc/46/85/38/1018468538.db2.gz LYCJBKPZLBXKES-AZUAARDMSA-N 1 1 324.424 3.595 20 30 DHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000246440632 1018468546 /nfs/dbraw/zinc/46/85/46/1018468546.db2.gz LYCJBKPZLBXKES-AZUAARDMSA-N 1 1 324.424 3.595 20 30 DHEDMO C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC12CCCCC2 ZINC000765085487 1018468931 /nfs/dbraw/zinc/46/89/31/1018468931.db2.gz BCDBRTASEXPCGM-LPHOPBHVSA-N 1 1 312.457 3.884 20 30 DHEDMO C=CC[N@@H+](Cc1c(C)onc1CC)Cc1ccc(OC)cc1 ZINC000163074142 1018493676 /nfs/dbraw/zinc/49/36/76/1018493676.db2.gz QIQBIJIOOGIGNF-UHFFFAOYSA-N 1 1 300.402 3.742 20 30 DHEDMO C=CC[N@H+](Cc1c(C)onc1CC)Cc1ccc(OC)cc1 ZINC000163074142 1018493688 /nfs/dbraw/zinc/49/36/88/1018493688.db2.gz QIQBIJIOOGIGNF-UHFFFAOYSA-N 1 1 300.402 3.742 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000343257312 1018512381 /nfs/dbraw/zinc/51/23/81/1018512381.db2.gz FDIVZCBPVRONOD-WMZOPIPTSA-N 1 1 300.446 3.512 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000527190874 1018527066 /nfs/dbraw/zinc/52/70/66/1018527066.db2.gz KNZBSBRUFLHPGU-WFASDCNBSA-N 1 1 312.335 3.663 20 30 DHEDMO C=C[C@@H](CC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000245600206 1018563712 /nfs/dbraw/zinc/56/37/12/1018563712.db2.gz IRTWTANPFPFOEF-MSOLQXFVSA-N 1 1 314.473 3.727 20 30 DHEDMO C=C[C@@H](CC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000245626370 1018569421 /nfs/dbraw/zinc/56/94/21/1018569421.db2.gz GNBRYYHOQBYSMD-ROUUACIJSA-N 1 1 314.473 3.537 20 30 DHEDMO C=C[C@H](CC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000245687483 1018576806 /nfs/dbraw/zinc/57/68/06/1018576806.db2.gz WPOGELUBZCJXJG-RCCFBDPRSA-N 1 1 314.473 3.583 20 30 DHEDMO C=C(C[NH2+][C@H](C)c1nnn(-c2ccccc2)c1C)c1ccccc1 ZINC000675781973 1018589185 /nfs/dbraw/zinc/58/91/85/1018589185.db2.gz JCDCMYXHISRALH-MRXNPFEDSA-N 1 1 318.424 3.940 20 30 DHEDMO CCCCCCCC[C@H](C)CC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001129078489 1018607871 /nfs/dbraw/zinc/60/78/71/1018607871.db2.gz DYCWJJCLWYPBDB-KSZLIROESA-N 1 1 308.510 3.926 20 30 DHEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cccc2c1OCCC2=O ZINC000329399968 1018658898 /nfs/dbraw/zinc/65/88/98/1018658898.db2.gz XQCFPVFCFQKLDS-ZDUSSCGKSA-N 1 1 316.401 3.504 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc2c1OCCC2=O ZINC000329399966 1018658948 /nfs/dbraw/zinc/65/89/48/1018658948.db2.gz XQCFPVFCFQKLDS-CYBMUJFWSA-N 1 1 316.401 3.504 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)NC[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000247113095 1018704948 /nfs/dbraw/zinc/70/49/48/1018704948.db2.gz QQPUYCQSDJKXCV-HZPDHXFCSA-N 1 1 322.880 3.810 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)NC[C@H]2CC[N@H+](CC)C2)cc1 ZINC000247113095 1018704952 /nfs/dbraw/zinc/70/49/52/1018704952.db2.gz QQPUYCQSDJKXCV-HZPDHXFCSA-N 1 1 322.880 3.810 20 30 DHEDMO C=CCSc1ccccc1NC(=O)Cn1cc[nH+]c1CCC ZINC000157978100 1018712273 /nfs/dbraw/zinc/71/22/73/1018712273.db2.gz GIUOLJHEFXLJQB-UHFFFAOYSA-N 1 1 315.442 3.752 20 30 DHEDMO Cc1cccc2c1CC[C@H]([N@H+]1CCc3cc(C#N)ccc3C1)C2 ZINC001171564800 1032783570 /nfs/dbraw/zinc/78/35/70/1032783570.db2.gz GHNFNGDXLQCIKU-FQEVSTJZSA-N 1 1 302.421 3.782 20 30 DHEDMO C=CCCCCC[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000278528632 1018782507 /nfs/dbraw/zinc/78/25/07/1018782507.db2.gz PYXSSKMQKLEWPV-UHFFFAOYSA-N 1 1 314.473 3.969 20 30 DHEDMO Fc1ccc(C#CC[N@@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000676605927 1018783122 /nfs/dbraw/zinc/78/31/22/1018783122.db2.gz SOLYNYHLZUURNO-LJQANCHMSA-N 1 1 311.425 3.967 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000676605927 1018783136 /nfs/dbraw/zinc/78/31/36/1018783136.db2.gz SOLYNYHLZUURNO-LJQANCHMSA-N 1 1 311.425 3.967 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000710360983 1018852797 /nfs/dbraw/zinc/85/27/97/1018852797.db2.gz OXAYOLRRQPINQG-ZDUSSCGKSA-N 1 1 303.818 3.658 20 30 DHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000074022746 1018905978 /nfs/dbraw/zinc/90/59/78/1018905978.db2.gz ODTSYAVYIRMXHK-YJBOKZPZSA-N 1 1 311.429 3.541 20 30 DHEDMO CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1csc(C#N)c1 ZINC000921529210 1018933996 /nfs/dbraw/zinc/93/39/96/1018933996.db2.gz YYXGBOZWRQXCEP-UHFFFAOYSA-N 1 1 313.470 3.750 20 30 DHEDMO CC(C)[N@H+](C)Cc1ccccc1CNCc1csc(C#N)c1 ZINC000921529210 1018934008 /nfs/dbraw/zinc/93/40/08/1018934008.db2.gz YYXGBOZWRQXCEP-UHFFFAOYSA-N 1 1 313.470 3.750 20 30 DHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNCc1csc(C#N)c1 ZINC000921529210 1018934019 /nfs/dbraw/zinc/93/40/19/1018934019.db2.gz YYXGBOZWRQXCEP-UHFFFAOYSA-N 1 1 313.470 3.750 20 30 DHEDMO C[N@@H+](CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171603356 1032799144 /nfs/dbraw/zinc/79/91/44/1032799144.db2.gz YVZZSXNBJPFDMG-GJZGRUSLSA-N 1 1 323.481 3.646 20 30 DHEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171611878 1032800395 /nfs/dbraw/zinc/80/03/95/1032800395.db2.gz DEWGKOBOYMODFJ-CABCVRRESA-N 1 1 310.482 3.918 20 30 DHEDMO C[C@@H](Nc1ncc2c(c1C#N)CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000584228099 1019035010 /nfs/dbraw/zinc/03/50/10/1019035010.db2.gz LTWWSTLJCLZSGL-GDBMZVCRSA-N 1 1 324.472 3.507 20 30 DHEDMO CC[NH+](CC)Cc1cccc(CNCc2csc(C#N)c2)c1 ZINC000921547892 1019041999 /nfs/dbraw/zinc/04/19/99/1019041999.db2.gz GHLYRGJQBAUEHB-UHFFFAOYSA-N 1 1 313.470 3.751 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000112583607 1019141925 /nfs/dbraw/zinc/14/19/25/1019141925.db2.gz JKXCSNHZCFQJJK-FQEVSTJZSA-N 1 1 320.436 3.962 20 30 DHEDMO CC[C@@H](C(=O)[C@@H](C#N)c1nc(C(C)C)cs1)[NH+](CC)CC ZINC000765964820 1019273499 /nfs/dbraw/zinc/27/34/99/1019273499.db2.gz OVNYWXJGYGRXHK-OCCSQVGLSA-N 1 1 307.463 3.563 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(F)c(F)c1 ZINC000922012882 1019300475 /nfs/dbraw/zinc/30/04/75/1019300475.db2.gz YRNHEXDVCVHDEJ-MRXNPFEDSA-N 1 1 309.335 3.538 20 30 DHEDMO N#Cc1ccc(CN2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000611254605 1019421197 /nfs/dbraw/zinc/42/11/97/1019421197.db2.gz FBVRQRXYPVLBSU-UHFFFAOYSA-N 1 1 317.502 3.708 20 30 DHEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000611323076 1019444368 /nfs/dbraw/zinc/44/43/68/1019444368.db2.gz JLLMGMIDTRRSEE-WMLDXEAASA-N 1 1 314.429 3.530 20 30 DHEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611349475 1019455759 /nfs/dbraw/zinc/45/57/59/1019455759.db2.gz QASNQVZEIFVCAR-GOEBONIOSA-N 1 1 308.429 3.815 20 30 DHEDMO CC(C)Cn1ccnc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611393550 1019469027 /nfs/dbraw/zinc/46/90/27/1019469027.db2.gz WKFJKBZRNNYODQ-SFHVURJKSA-N 1 1 308.429 3.578 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000091518342 1019474935 /nfs/dbraw/zinc/47/49/35/1019474935.db2.gz GSPGYCIQKWXITK-MRXNPFEDSA-N 1 1 318.436 3.718 20 30 DHEDMO CC(C)Oc1ncccc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000611465453 1019500416 /nfs/dbraw/zinc/50/04/16/1019500416.db2.gz IGSBUVYXSFFJLM-CYBMUJFWSA-N 1 1 313.376 3.730 20 30 DHEDMO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)cc1OCCCC#N ZINC000611521361 1019508598 /nfs/dbraw/zinc/50/85/98/1019508598.db2.gz AQOLYTMSNGEAQM-GDBMZVCRSA-N 1 1 320.408 3.558 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)cc1OCCCC#N ZINC000611521361 1019508611 /nfs/dbraw/zinc/50/86/11/1019508611.db2.gz AQOLYTMSNGEAQM-GDBMZVCRSA-N 1 1 320.408 3.558 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000611554458 1019513994 /nfs/dbraw/zinc/51/39/94/1019513994.db2.gz QQQOHIMKKJBDFQ-FZMZJTMJSA-N 1 1 312.335 3.730 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000611554458 1019514004 /nfs/dbraw/zinc/51/40/04/1019514004.db2.gz QQQOHIMKKJBDFQ-FZMZJTMJSA-N 1 1 312.335 3.730 20 30 DHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCOc1ccccc1C#N ZINC000611555310 1019515082 /nfs/dbraw/zinc/51/50/82/1019515082.db2.gz WJYRTIPHTBLAJL-OCCSQVGLSA-N 1 1 312.335 3.600 20 30 DHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCOc1ccccc1C#N ZINC000611555309 1019515299 /nfs/dbraw/zinc/51/52/99/1019515299.db2.gz WJYRTIPHTBLAJL-JSGCOSHPSA-N 1 1 312.335 3.600 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)CCC(F)(F)F)cc1OC ZINC000092479065 1019516122 /nfs/dbraw/zinc/51/61/22/1019516122.db2.gz ZJXLVJDTWCJPGR-UHFFFAOYSA-N 1 1 303.324 3.644 20 30 DHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000611554889 1019517436 /nfs/dbraw/zinc/51/74/36/1019517436.db2.gz ALOCJSKWYGHUEY-GXTWGEPZSA-N 1 1 312.335 3.600 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000370096627 1019662612 /nfs/dbraw/zinc/66/26/12/1019662612.db2.gz FRLWBDHOGSKRGH-UTKZUKDTSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000370096627 1019662626 /nfs/dbraw/zinc/66/26/26/1019662626.db2.gz FRLWBDHOGSKRGH-UTKZUKDTSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@H](c1cccs1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000067474646 1019747945 /nfs/dbraw/zinc/74/79/45/1019747945.db2.gz SDQAKYNSYXQJRK-CYBMUJFWSA-N 1 1 313.426 3.641 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000336870106 1032852899 /nfs/dbraw/zinc/85/28/99/1032852899.db2.gz HGFRAAGANYWUOM-MRXNPFEDSA-N 1 1 310.445 3.831 20 30 DHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000067962295 1019823516 /nfs/dbraw/zinc/82/35/16/1019823516.db2.gz NBTGCXGOMPDWRE-LJQANCHMSA-N 1 1 319.408 3.724 20 30 DHEDMO CC(C)(C)[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000116309499 1019865973 /nfs/dbraw/zinc/86/59/73/1019865973.db2.gz GWGBYFMQOLZCOK-AWEZNQCLSA-N 1 1 319.474 3.706 20 30 DHEDMO CC(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000116309499 1019865986 /nfs/dbraw/zinc/86/59/86/1019865986.db2.gz GWGBYFMQOLZCOK-AWEZNQCLSA-N 1 1 319.474 3.706 20 30 DHEDMO CC[C@@H](C)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000068449812 1019898462 /nfs/dbraw/zinc/89/84/62/1019898462.db2.gz PIODZNJNYKFALU-GFCCVEGCSA-N 1 1 319.474 3.557 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1c1ccc(NCCc2ccc(C#N)cc2)nc1 ZINC001167678596 1019951737 /nfs/dbraw/zinc/95/17/37/1019951737.db2.gz QAGRXNNYMIOTMH-LJQANCHMSA-N 1 1 320.440 3.765 20 30 DHEDMO C#CCOc1ccccc1C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000730261312 1019969865 /nfs/dbraw/zinc/96/98/65/1019969865.db2.gz XSGCZRZVDRMAGW-UHFFFAOYSA-N 1 1 301.336 3.609 20 30 DHEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000730261312 1019969873 /nfs/dbraw/zinc/96/98/73/1019969873.db2.gz XSGCZRZVDRMAGW-UHFFFAOYSA-N 1 1 301.336 3.609 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000731212094 1020079622 /nfs/dbraw/zinc/07/96/22/1020079622.db2.gz RVIOOTDRDXFONZ-LJQANCHMSA-N 1 1 308.381 3.632 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2cccs2)n1 ZINC000731656953 1020128954 /nfs/dbraw/zinc/12/89/54/1020128954.db2.gz OQXBYFSEBKCAAF-UHFFFAOYSA-N 1 1 308.410 3.573 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2cccs2)n1 ZINC000731656953 1020128960 /nfs/dbraw/zinc/12/89/60/1020128960.db2.gz OQXBYFSEBKCAAF-UHFFFAOYSA-N 1 1 308.410 3.573 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3c3ccc(F)cc3)n2c1 ZINC000124070531 1020137365 /nfs/dbraw/zinc/13/73/65/1020137365.db2.gz SHEIRJBFSFNSFA-GOSISDBHSA-N 1 1 320.371 3.682 20 30 DHEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3c3ccc(F)cc3)n2c1 ZINC000124070531 1020137371 /nfs/dbraw/zinc/13/73/71/1020137371.db2.gz SHEIRJBFSFNSFA-GOSISDBHSA-N 1 1 320.371 3.682 20 30 DHEDMO C[C@@H]1CCC[N@H+]1C1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000154938389 1020166020 /nfs/dbraw/zinc/16/60/20/1020166020.db2.gz FUBYKAIZHLUXTE-CYBMUJFWSA-N 1 1 303.837 3.665 20 30 DHEDMO C[N@H+](Cc1cc2ccccc2o1)Cc1cnc2ccc(C#N)cn12 ZINC000093689160 1020166562 /nfs/dbraw/zinc/16/65/62/1020166562.db2.gz ZAXIATRYNLERBM-UHFFFAOYSA-N 1 1 316.364 3.584 20 30 DHEDMO C[N@@H+](Cc1cc2ccccc2o1)Cc1cnc2ccc(C#N)cn12 ZINC000093689160 1020166570 /nfs/dbraw/zinc/16/65/70/1020166570.db2.gz ZAXIATRYNLERBM-UHFFFAOYSA-N 1 1 316.364 3.584 20 30 DHEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(C#N)ccc2OC)cc1 ZINC000124580006 1020198538 /nfs/dbraw/zinc/19/85/38/1020198538.db2.gz FJNLKUZEGWBBQP-CQSZACIVSA-N 1 1 310.397 3.768 20 30 DHEDMO CCC[N@H+](Cc1ccn(C(F)F)n1)Cc1ccc(C#N)cc1 ZINC000347729171 1020233109 /nfs/dbraw/zinc/23/31/09/1020233109.db2.gz VZSZKTSCWNPEHX-UHFFFAOYSA-N 1 1 304.344 3.562 20 30 DHEDMO CCC[N@@H+](Cc1ccn(C(F)F)n1)Cc1ccc(C#N)cc1 ZINC000347729171 1020233115 /nfs/dbraw/zinc/23/31/15/1020233115.db2.gz VZSZKTSCWNPEHX-UHFFFAOYSA-N 1 1 304.344 3.562 20 30 DHEDMO CCC[C@]1(C)CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000330923684 1020247454 /nfs/dbraw/zinc/24/74/54/1020247454.db2.gz DPDOJIXGRKNPEH-QGZVFWFLSA-N 1 1 319.474 3.851 20 30 DHEDMO CCCn1c2ccccc2nc1C[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000922758414 1020252849 /nfs/dbraw/zinc/25/28/49/1020252849.db2.gz ADUQISPUGPYPEY-UHFFFAOYSA-N 1 1 318.424 3.916 20 30 DHEDMO C#CC1CC[NH+](Cc2c(Cl)cccc2Br)CC1 ZINC001137815969 1020312630 /nfs/dbraw/zinc/31/26/30/1020312630.db2.gz JKBLKFFEYTUJBB-UHFFFAOYSA-N 1 1 312.638 3.948 20 30 DHEDMO Cc1[nH+]ccn1CCCCNc1cc(C#N)ccc1C(F)(F)F ZINC000125477274 1020313399 /nfs/dbraw/zinc/31/33/99/1020313399.db2.gz YLYAFHYWEBVFHG-UHFFFAOYSA-N 1 1 322.334 3.974 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@@H+](C3CC3)C3CCCCC3)o2)cc1 ZINC000075637384 1020317346 /nfs/dbraw/zinc/31/73/46/1020317346.db2.gz ZBNGOOVTDWIOBX-UHFFFAOYSA-N 1 1 322.412 3.905 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccc1F ZINC000280956181 1020318308 /nfs/dbraw/zinc/31/83/08/1020318308.db2.gz JDTIQRMFRLMORZ-UHOSZYNNSA-N 1 1 316.420 3.603 20 30 DHEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2ccnc(C#N)c2)c1 ZINC000612137798 1020327346 /nfs/dbraw/zinc/32/73/46/1020327346.db2.gz WLYOUGJNWAKKFQ-LIRRHRJNSA-N 1 1 307.397 3.545 20 30 DHEDMO C#CC[N@H+](CCC)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195785 1020344027 /nfs/dbraw/zinc/34/40/27/1020344027.db2.gz WFKHUQSOLDSKMK-AWEZNQCLSA-N 1 1 308.219 3.618 20 30 DHEDMO Cc1cc(C#N)cc(NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000310252887 1020348501 /nfs/dbraw/zinc/34/85/01/1020348501.db2.gz DWRHTQIFGRMZKT-HXUWFJFHSA-N 1 1 320.440 3.586 20 30 DHEDMO C=C(Br)C[N@H+](CCC)CCc1cccc(F)c1 ZINC000733614186 1020418289 /nfs/dbraw/zinc/41/82/89/1020418289.db2.gz CBHOZMMEOGQMMT-UHFFFAOYSA-N 1 1 300.215 3.989 20 30 DHEDMO C=C(Br)C[N@@H+](CCC)CCc1cccc(F)c1 ZINC000733614186 1020418296 /nfs/dbraw/zinc/41/82/96/1020418296.db2.gz CBHOZMMEOGQMMT-UHFFFAOYSA-N 1 1 300.215 3.989 20 30 DHEDMO COc1ccc([C@@H]([NH2+]Cc2nc(C#N)cs2)C2CCC2)cc1 ZINC000922889558 1020387633 /nfs/dbraw/zinc/38/76/33/1020387633.db2.gz USFRTAAVVGJQNU-KRWDZBQOSA-N 1 1 313.426 3.654 20 30 DHEDMO COc1cc(C)nc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000347973534 1020462513 /nfs/dbraw/zinc/46/25/13/1020462513.db2.gz KWQXTFVVSZQNQI-UHFFFAOYSA-N 1 1 319.408 3.560 20 30 DHEDMO COc1cc(C)nc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000347973534 1020462515 /nfs/dbraw/zinc/46/25/15/1020462515.db2.gz KWQXTFVVSZQNQI-UHFFFAOYSA-N 1 1 319.408 3.560 20 30 DHEDMO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCCc2oc(C)nc21)C(C)C ZINC000924641846 1032903773 /nfs/dbraw/zinc/90/37/73/1032903773.db2.gz DAQZNUCJOGOBCD-IAGOWNOFSA-N 1 1 317.477 3.649 20 30 DHEDMO CC[N@@H+](CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171853640 1032906782 /nfs/dbraw/zinc/90/67/82/1032906782.db2.gz YFGKCXUGZHWTDS-HNNXBMFYSA-N 1 1 321.465 3.544 20 30 DHEDMO C=CCn1ccc2c1nc[nH+]c2N[C@H]1CCNc2ccccc21 ZINC001168638211 1020476927 /nfs/dbraw/zinc/47/69/27/1020476927.db2.gz ITUWWVWHFNPVQR-INIZCTEOSA-N 1 1 305.385 3.586 20 30 DHEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000348057884 1020498470 /nfs/dbraw/zinc/49/84/70/1020498470.db2.gz UPYVKDYOUIXWKB-GOSISDBHSA-N 1 1 313.445 3.786 20 30 DHEDMO C[C@@H]1CCN(c2ccc(F)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000301422563 1020511791 /nfs/dbraw/zinc/51/17/91/1020511791.db2.gz FNCRDSFTSYTNRE-MRXNPFEDSA-N 1 1 323.415 3.798 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2ccncc2)cc1F ZINC000358311546 1020537120 /nfs/dbraw/zinc/53/71/20/1020537120.db2.gz PNCJSVIQMVAVHJ-HXUWFJFHSA-N 1 1 317.367 3.972 20 30 DHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303593534 1020585351 /nfs/dbraw/zinc/58/53/51/1020585351.db2.gz SSXVMPMNNGYZTE-OXQOHEQNSA-N 1 1 323.440 3.708 20 30 DHEDMO C[C@H](NN=C1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000734365658 1020595256 /nfs/dbraw/zinc/59/52/56/1020595256.db2.gz OVTJRSBAYBETCW-IRXDYDNUSA-N 1 1 322.456 3.630 20 30 DHEDMO Cc1ccc(N=NC2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000734365945 1020595843 /nfs/dbraw/zinc/59/58/43/1020595843.db2.gz YUOZKBIKEYHWHI-INIZCTEOSA-N 1 1 308.429 3.700 20 30 DHEDMO N#Cc1cc(F)ccc1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000361026075 1020599012 /nfs/dbraw/zinc/59/90/12/1020599012.db2.gz RCMATWKXYHBHHL-GOSISDBHSA-N 1 1 309.388 3.774 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N1CCCC[C@H]1CC ZINC000065959679 1020604875 /nfs/dbraw/zinc/60/48/75/1020604875.db2.gz KRMHEVWNFTUOOR-LJQANCHMSA-N 1 1 314.473 3.508 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N1CCCC[C@H]1CC ZINC000065959679 1020604881 /nfs/dbraw/zinc/60/48/81/1020604881.db2.gz KRMHEVWNFTUOOR-LJQANCHMSA-N 1 1 314.473 3.508 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cn2c(cccc2C)n1 ZINC000065959500 1020605114 /nfs/dbraw/zinc/60/51/14/1020605114.db2.gz UMQKTQJFNKXNBE-UHFFFAOYSA-N 1 1 305.425 3.873 20 30 DHEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000163875240 1020622936 /nfs/dbraw/zinc/62/29/36/1020622936.db2.gz KYTOGHVZNKXBRF-CJNGLKHVSA-N 1 1 306.837 3.727 20 30 DHEDMO C=C(C)COc1cc(C[NH2+]Cc2nc(C)cs2)ccc1OC ZINC000057960914 1020646033 /nfs/dbraw/zinc/64/60/33/1020646033.db2.gz KTAMWNKLKJMWQM-UHFFFAOYSA-N 1 1 318.442 3.705 20 30 DHEDMO C=CC[N@@H+](Cc1cc(Br)ccc1C)[C@@H](C)COC ZINC001171917564 1032920446 /nfs/dbraw/zinc/92/04/46/1032920446.db2.gz ZUHBDBDKZUOTDN-ZDUSSCGKSA-N 1 1 312.251 3.780 20 30 DHEDMO N#CCOc1ccc(Cl)cc1CO[NH+]=C(N)C1CCCCC1 ZINC000735302710 1020717710 /nfs/dbraw/zinc/71/77/10/1020717710.db2.gz BQSRQIXJHRKONU-UHFFFAOYSA-N 1 1 321.808 3.821 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cccc(C#N)c2)cc1 ZINC000177616706 1020735454 /nfs/dbraw/zinc/73/54/54/1020735454.db2.gz ADLILPXNFFAKAG-BJMVGYQFSA-N 1 1 313.360 3.949 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCS[C@H](C)[C@@H]2C)c1O ZINC000735665875 1020761033 /nfs/dbraw/zinc/76/10/33/1020761033.db2.gz BCDWTTPUACDEGL-UONOGXRCSA-N 1 1 321.486 3.845 20 30 DHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000739914777 1020924994 /nfs/dbraw/zinc/92/49/94/1020924994.db2.gz KKIURVCUJHRVGQ-SJLPKXTDSA-N 1 1 314.429 3.530 20 30 DHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000739914777 1020924998 /nfs/dbraw/zinc/92/49/98/1020924998.db2.gz KKIURVCUJHRVGQ-SJLPKXTDSA-N 1 1 314.429 3.530 20 30 DHEDMO CC(C)C[N@H+]1CC[C@@H](CNc2cccc(C(F)F)c2C#N)C1 ZINC000582312003 1020932848 /nfs/dbraw/zinc/93/28/48/1020932848.db2.gz GEYCNFZAJMKQNB-ZDUSSCGKSA-N 1 1 307.388 3.886 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCNc1nc(C(C)(C)C)ccc1C#N ZINC000613411455 1020940938 /nfs/dbraw/zinc/94/09/38/1020940938.db2.gz CHWUTCALVZLISN-AWEZNQCLSA-N 1 1 300.450 3.537 20 30 DHEDMO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1nc2c(s1)CCC2 ZINC000414155930 1020943279 /nfs/dbraw/zinc/94/32/79/1020943279.db2.gz OJULAUGLZNGDAM-NHYWBVRUSA-N 1 1 309.438 3.842 20 30 DHEDMO C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000174881874 1021006731 /nfs/dbraw/zinc/00/67/31/1021006731.db2.gz UAZOKZWOVFALNH-GOSISDBHSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@@H]1CCN(CCCC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000174881874 1021006737 /nfs/dbraw/zinc/00/67/37/1021006737.db2.gz UAZOKZWOVFALNH-GOSISDBHSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@@H]1CCN(CCCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000174881874 1021006741 /nfs/dbraw/zinc/00/67/41/1021006741.db2.gz UAZOKZWOVFALNH-GOSISDBHSA-N 1 1 313.489 3.913 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000249327229 1021080799 /nfs/dbraw/zinc/08/07/99/1021080799.db2.gz NYXCPVJBANPHQQ-GJZGRUSLSA-N 1 1 306.475 3.698 20 30 DHEDMO COCC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C)c(C)c1 ZINC000917149221 1021203238 /nfs/dbraw/zinc/20/32/38/1021203238.db2.gz CVVWSTMARWQEKI-UHFFFAOYSA-N 1 1 308.425 3.824 20 30 DHEDMO CC[N@@H+](CCC1CCN(c2cccc(C#N)n2)CC1)CC(C)C ZINC000538003840 1032967424 /nfs/dbraw/zinc/96/74/24/1032967424.db2.gz FGJIHZBNEFYACB-UHFFFAOYSA-N 1 1 314.477 3.538 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](CC(C)C)C2)c(C#N)c1C ZINC000177360885 1021254840 /nfs/dbraw/zinc/25/48/40/1021254840.db2.gz BBWGCILRNYEVOX-AWEZNQCLSA-N 1 1 319.474 3.543 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](CC(C)C)C2)c(C#N)c1C ZINC000177360885 1021254854 /nfs/dbraw/zinc/25/48/54/1021254854.db2.gz BBWGCILRNYEVOX-AWEZNQCLSA-N 1 1 319.474 3.543 20 30 DHEDMO C[N@H+]1CCN(CC#Cc2ccc(Cl)cc2)C2(CCCCC2)C1 ZINC000177359334 1021255782 /nfs/dbraw/zinc/25/57/82/1021255782.db2.gz UVGHAWYEZMVMRT-UHFFFAOYSA-N 1 1 316.876 3.642 20 30 DHEDMO N#Cc1ccc(O[C@@H]2CCC[N@H+](CCCC(F)(F)F)C2)cc1 ZINC001202444478 1021257156 /nfs/dbraw/zinc/25/71/56/1021257156.db2.gz HDIMWRDGLZHERT-OAHLLOKOSA-N 1 1 312.335 3.744 20 30 DHEDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000618288419 1021346527 /nfs/dbraw/zinc/34/65/27/1021346527.db2.gz HCERLDDLJSLEMR-INIZCTEOSA-N 1 1 308.466 3.762 20 30 DHEDMO C#CC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172057615 1032972955 /nfs/dbraw/zinc/97/29/55/1032972955.db2.gz JZTAAVSLNCLZCH-MRXNPFEDSA-N 1 1 320.477 3.654 20 30 DHEDMO N#CCOc1ccc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000743852797 1021380292 /nfs/dbraw/zinc/38/02/92/1021380292.db2.gz UBERWVBILVCIHI-LJQANCHMSA-N 1 1 314.429 3.513 20 30 DHEDMO Cc1ccc2nc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)cn2c1 ZINC000194538420 1021424349 /nfs/dbraw/zinc/42/43/49/1021424349.db2.gz MNOYUHBFTPNPOI-UHFFFAOYSA-N 1 1 316.408 3.679 20 30 DHEDMO Cc1ccc2nc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)cn2c1 ZINC000194538420 1021424359 /nfs/dbraw/zinc/42/43/59/1021424359.db2.gz MNOYUHBFTPNPOI-UHFFFAOYSA-N 1 1 316.408 3.679 20 30 DHEDMO CC(C)[N@@H+](C)CC1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000538085496 1032985322 /nfs/dbraw/zinc/98/53/22/1032985322.db2.gz RVYRMRTYQVLRNT-UHFFFAOYSA-N 1 1 322.456 3.663 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@@H+](C)CCOc2ccccc2)cc1 ZINC000154742530 1021550437 /nfs/dbraw/zinc/55/04/37/1021550437.db2.gz MLYNWSSMMFOATP-UHFFFAOYSA-N 1 1 323.440 3.547 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)c2nccn2C)cc1 ZINC000850571798 1021615176 /nfs/dbraw/zinc/61/51/76/1021615176.db2.gz AXRFYHGACDHRRP-UONOGXRCSA-N 1 1 319.836 3.963 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000538147972 1033001280 /nfs/dbraw/zinc/00/12/80/1033001280.db2.gz SKBYHEKWFBLQHZ-PBHICJAKSA-N 1 1 319.424 3.766 20 30 DHEDMO C=CC(C)(C)CC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001127692598 1021766968 /nfs/dbraw/zinc/76/69/68/1021766968.db2.gz JQFINVJHCOHUQI-UHFFFAOYSA-N 1 1 302.462 3.616 20 30 DHEDMO C=C(Cl)C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000763435818 1021770109 /nfs/dbraw/zinc/77/01/09/1021770109.db2.gz VKHMUQOHFFIUAH-UHFFFAOYSA-N 1 1 311.763 3.609 20 30 DHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cn1cccnc1=S ZINC000746055889 1021838682 /nfs/dbraw/zinc/83/86/82/1021838682.db2.gz JJMMPHWAZRRQAH-UHFFFAOYSA-N 1 1 312.442 3.600 20 30 DHEDMO CCCCOc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1OC ZINC000556910186 1021944424 /nfs/dbraw/zinc/94/44/24/1021944424.db2.gz WGSQZJMYDBJAKX-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO CCCCOc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1OC ZINC000556910186 1021944440 /nfs/dbraw/zinc/94/44/40/1021944440.db2.gz WGSQZJMYDBJAKX-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO Cc1ccc(-c2ccc(C[NH2+]Cc3ccc(C#N)cn3)o2)cc1 ZINC000780555564 1021968131 /nfs/dbraw/zinc/96/81/31/1021968131.db2.gz IAGBMTGKASAVHJ-UHFFFAOYSA-N 1 1 303.365 3.812 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@@H+](CC)C[C@H]2CCCO2)c1O ZINC000919947035 1021982729 /nfs/dbraw/zinc/98/27/29/1021982729.db2.gz KIGWIYMZNJGKOT-QGZVFWFLSA-N 1 1 319.445 3.520 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)C1CCN(c2ccc(F)cc2)CC1 ZINC000365739873 1022004423 /nfs/dbraw/zinc/00/44/23/1022004423.db2.gz RBWOJDNFJSMAAL-UHFFFAOYSA-N 1 1 323.415 3.798 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)cc1 ZINC000851834517 1022015989 /nfs/dbraw/zinc/01/59/89/1022015989.db2.gz SHQJJCPPCRPUFH-SFTDATJTSA-N 1 1 320.436 3.689 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000851891503 1022029471 /nfs/dbraw/zinc/02/94/71/1022029471.db2.gz TYOSGCBZUQTOMH-UHFFFAOYSA-N 1 1 323.827 3.938 20 30 DHEDMO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000852103728 1022075223 /nfs/dbraw/zinc/07/52/23/1022075223.db2.gz PPCKEUVLLSCSSF-MEDUHNTESA-N 1 1 303.406 3.797 20 30 DHEDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]1c1cccc(F)c1 ZINC000178333065 1022093739 /nfs/dbraw/zinc/09/37/39/1022093739.db2.gz ISXUEBBAUJONOE-UAOJZALGSA-N 1 1 324.399 3.814 20 30 DHEDMO CC[C@H](C)[N@H+](CC)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000852291232 1022099510 /nfs/dbraw/zinc/09/95/10/1022099510.db2.gz RUELMCACWWPIGK-STQMWFEESA-N 1 1 315.442 3.593 20 30 DHEDMO CC[C@H](C)[N@@H+](CC)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000852291232 1022099522 /nfs/dbraw/zinc/09/95/22/1022099522.db2.gz RUELMCACWWPIGK-STQMWFEESA-N 1 1 315.442 3.593 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852319630 1022105412 /nfs/dbraw/zinc/10/54/12/1022105412.db2.gz QPVSHCCRBARHHC-JKSUJKDBSA-N 1 1 321.424 3.792 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000852319630 1022105415 /nfs/dbraw/zinc/10/54/15/1022105415.db2.gz QPVSHCCRBARHHC-JKSUJKDBSA-N 1 1 321.424 3.792 20 30 DHEDMO Cc1ccc2c(C[N@H+]3CCC[C@H](CC#N)C3)cc(=O)oc2c1C ZINC000852320048 1022105737 /nfs/dbraw/zinc/10/57/37/1022105737.db2.gz VBICDBMZNIPJPH-OAHLLOKOSA-N 1 1 310.397 3.536 20 30 DHEDMO N#Cc1ncccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000290626821 1022108389 /nfs/dbraw/zinc/10/83/89/1022108389.db2.gz MCSQAAVQMGHZKY-AYHJJNSGSA-N 1 1 318.424 3.561 20 30 DHEDMO CCS[C@H]1CCCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000481082715 1022110379 /nfs/dbraw/zinc/11/03/79/1022110379.db2.gz XEMDWYJUKMCVMT-KRWDZBQOSA-N 1 1 304.459 3.545 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000852411438 1022117122 /nfs/dbraw/zinc/11/71/22/1022117122.db2.gz UODKWKVEZSXGGD-CYBMUJFWSA-N 1 1 301.365 3.664 20 30 DHEDMO CC[C@H]1C[N@@H+](CCC(C)(C)C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000776593692 1022117772 /nfs/dbraw/zinc/11/77/72/1022117772.db2.gz MJWRJWCIZSPIDL-LSDHHAIUSA-N 1 1 323.481 3.551 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)cc1 ZINC000852426091 1022120019 /nfs/dbraw/zinc/12/00/19/1022120019.db2.gz HFIUPOCQYIKOGD-PKOBYXMFSA-N 1 1 322.408 3.802 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)cc1 ZINC000852426088 1022120126 /nfs/dbraw/zinc/12/01/26/1022120126.db2.gz HFIUPOCQYIKOGD-MJGOQNOKSA-N 1 1 322.408 3.802 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000852686374 1022158425 /nfs/dbraw/zinc/15/84/25/1022158425.db2.gz SKAKDRZNISCNGY-XHSDSOJGSA-N 1 1 311.347 3.922 20 30 DHEDMO N#Cc1cccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000076181158 1022185918 /nfs/dbraw/zinc/18/59/18/1022185918.db2.gz MFOJNCHIEZCYJG-VXGBXAGGSA-N 1 1 322.252 3.731 20 30 DHEDMO Fc1cccc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)c1 ZINC000076181296 1022195006 /nfs/dbraw/zinc/19/50/06/1022195006.db2.gz HJMQEVXQBARWNH-QWRGUYRKSA-N 1 1 315.232 3.998 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc(-n2cccn2)c1 ZINC000183599650 1022203950 /nfs/dbraw/zinc/20/39/50/1022203950.db2.gz MLWKHXXRIYJKMC-AWEZNQCLSA-N 1 1 320.371 3.734 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000538328472 1033036558 /nfs/dbraw/zinc/03/65/58/1033036558.db2.gz YZWVKXUCGSPIQR-CJNGLKHVSA-N 1 1 308.853 3.804 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)C[C@H]1COc2ccccc2O1 ZINC000620643803 1022211445 /nfs/dbraw/zinc/21/14/45/1022211445.db2.gz NCNBMSYTCWCAME-AWEZNQCLSA-N 1 1 301.411 3.576 20 30 DHEDMO CCc1ccccc1N[NH+]=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853288966 1022251030 /nfs/dbraw/zinc/25/10/30/1022251030.db2.gz GUVCRSOLBQYERO-UHFFFAOYSA-N 1 1 323.440 3.656 20 30 DHEDMO C[C@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000120247667 1022251831 /nfs/dbraw/zinc/25/18/31/1022251831.db2.gz GQJPKVMGEGKTQF-UWJYYQICSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@H]1C[C@@H](CNCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000120247667 1022251838 /nfs/dbraw/zinc/25/18/38/1022251838.db2.gz GQJPKVMGEGKTQF-UWJYYQICSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@H]1C[C@@H](CNCc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000120247667 1022251843 /nfs/dbraw/zinc/25/18/43/1022251843.db2.gz GQJPKVMGEGKTQF-UWJYYQICSA-N 1 1 319.452 3.558 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c(Cl)c1 ZINC000615231236 1022252960 /nfs/dbraw/zinc/25/29/60/1022252960.db2.gz IIBLALQCKFDGPX-MRXNPFEDSA-N 1 1 311.816 3.671 20 30 DHEDMO C#Cc1cccnc1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000853421490 1022271481 /nfs/dbraw/zinc/27/14/81/1022271481.db2.gz ZTMXKWMRVGOFMM-QFBILLFUSA-N 1 1 305.425 3.528 20 30 DHEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N(CCC#N)Cc1ccc(Cl)cc1)C2 ZINC001169145658 1022278285 /nfs/dbraw/zinc/27/82/85/1022278285.db2.gz NDORBKWXFMTSRI-PIIMJCKOSA-N 1 1 317.864 3.681 20 30 DHEDMO C[N@H+]1CCN(CC#Cc2cccc(Cl)c2)C2(CCCCC2)C1 ZINC000154614548 1022315611 /nfs/dbraw/zinc/31/56/11/1022315611.db2.gz NQVBVSYKSOHIRJ-UHFFFAOYSA-N 1 1 316.876 3.642 20 30 DHEDMO C=CCSc1ccccc1C(=O)OCCCn1cc[nH+]c1C ZINC000777075054 1033045719 /nfs/dbraw/zinc/04/57/19/1033045719.db2.gz BZZDYKNDPHOCMN-UHFFFAOYSA-N 1 1 316.426 3.717 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000609797459 1022350739 /nfs/dbraw/zinc/35/07/39/1022350739.db2.gz FAJVGTZTLYZLMP-LJQANCHMSA-N 1 1 320.285 3.999 20 30 DHEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000609916247 1022383376 /nfs/dbraw/zinc/38/33/76/1022383376.db2.gz HSBYPJHGXZQLIF-YJBOKZPZSA-N 1 1 324.399 3.954 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 ZINC000854061743 1022400464 /nfs/dbraw/zinc/40/04/64/1022400464.db2.gz MEGXTVFGVSZONX-INIZCTEOSA-N 1 1 322.456 3.949 20 30 DHEDMO CCN(CC)C(=O)C[C@H](C)[N@@H+](CCC#N)C1CCCCCCC1 ZINC001169473523 1022423320 /nfs/dbraw/zinc/42/33/20/1022423320.db2.gz FNNKWLFGECZRCJ-KRWDZBQOSA-N 1 1 321.509 3.962 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000125960034 1033057189 /nfs/dbraw/zinc/05/71/89/1033057189.db2.gz QGGXLFOBTZGRTK-INIZCTEOSA-N 1 1 315.461 3.512 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000660095693 1022477821 /nfs/dbraw/zinc/47/78/21/1022477821.db2.gz RPZGJHIKMFSDSH-KRWDZBQOSA-N 1 1 324.449 3.900 20 30 DHEDMO C[C@@H](NCC1([NH+](C)C)CCCCC1)c1ccc(OCC#N)cc1 ZINC000271887265 1022486398 /nfs/dbraw/zinc/48/63/98/1022486398.db2.gz QZKORZRQORGCSL-MRXNPFEDSA-N 1 1 315.461 3.504 20 30 DHEDMO Cn1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(-c2ccccc2)n1 ZINC000179683157 1022508996 /nfs/dbraw/zinc/50/89/96/1022508996.db2.gz AAHWKSAJARYXQF-UHFFFAOYSA-N 1 1 316.408 3.591 20 30 DHEDMO CC[N@@H+](CCc1cccc(OC(F)(F)F)c1)C[C@H](C)C#N ZINC000157750546 1022573932 /nfs/dbraw/zinc/57/39/32/1022573932.db2.gz UPHBHNZAXOOVMU-GFCCVEGCSA-N 1 1 300.324 3.609 20 30 DHEDMO CC(C)(C#N)CC[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000157851944 1022581621 /nfs/dbraw/zinc/58/16/21/1022581621.db2.gz UUCJNJOMTPGXPE-QGZVFWFLSA-N 1 1 304.409 3.747 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NC[C@@H]2COC(C)(C)O2)cc1 ZINC001169913266 1022590155 /nfs/dbraw/zinc/59/01/55/1022590155.db2.gz MCRXAVVWSOMIND-MSOLQXFVSA-N 1 1 316.445 3.573 20 30 DHEDMO COc1ccc2oc(C[NH2+]Cc3cc(C#N)ccc3F)cc2c1 ZINC000763476726 1022688433 /nfs/dbraw/zinc/68/84/33/1022688433.db2.gz BCFQKXSNZTXGFH-UHFFFAOYSA-N 1 1 310.328 3.742 20 30 DHEDMO C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)cc(C#N)c1)CCOCC2 ZINC000930823908 1022713534 /nfs/dbraw/zinc/71/35/34/1022713534.db2.gz YJZBDTIERXMBJQ-ZDUSSCGKSA-N 1 1 304.821 3.603 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCC(=O)c1cccs1 ZINC001172310840 1033078783 /nfs/dbraw/zinc/07/87/83/1033078783.db2.gz KAMFAPHZXZWWFC-AWEZNQCLSA-N 1 1 312.438 3.756 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC001172311152 1033078949 /nfs/dbraw/zinc/07/89/49/1033078949.db2.gz QAZPDXHGNFYLKW-CQSZACIVSA-N 1 1 305.381 3.762 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001172308249 1033078985 /nfs/dbraw/zinc/07/89/85/1033078985.db2.gz VNLIDSQGDSVZGR-OXJNMPFZSA-N 1 1 306.409 3.643 20 30 DHEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172313154 1033081120 /nfs/dbraw/zinc/08/11/20/1033081120.db2.gz QHKMUMGYMKXPEP-HNNXBMFYSA-N 1 1 322.408 3.740 20 30 DHEDMO COc1cccc([C@@H]2CC[N@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)c1 ZINC001172312908 1033081350 /nfs/dbraw/zinc/08/13/50/1033081350.db2.gz LUOVFKDEETTXFW-OXQOHEQNSA-N 1 1 320.436 3.987 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cccc(F)c1F ZINC001172312880 1033082220 /nfs/dbraw/zinc/08/22/20/1033082220.db2.gz LLDIBTHQKSYMCO-CYBMUJFWSA-N 1 1 300.352 3.899 20 30 DHEDMO CCCCN1CCC([N@H+](C)[C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172312367 1033083015 /nfs/dbraw/zinc/08/30/15/1033083015.db2.gz GHEVGXWVTQDWBW-QGZVFWFLSA-N 1 1 313.489 3.686 20 30 DHEDMO CCCCN1CCC([N@@H+](C)[C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172312367 1033083027 /nfs/dbraw/zinc/08/30/27/1033083027.db2.gz GHEVGXWVTQDWBW-QGZVFWFLSA-N 1 1 313.489 3.686 20 30 DHEDMO C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccc(C#N)cc1 ZINC000162456119 1022823915 /nfs/dbraw/zinc/82/39/15/1022823915.db2.gz XJLFSNXMDONZOY-LBPRGKRZSA-N 1 1 324.815 3.949 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(-n2cccn2)cc1 ZINC000180848318 1022847558 /nfs/dbraw/zinc/84/75/58/1022847558.db2.gz AECPMPHBRAPDGG-CQSZACIVSA-N 1 1 320.371 3.734 20 30 DHEDMO CC#CCCCC(=O)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000767988780 1022854430 /nfs/dbraw/zinc/85/44/30/1022854430.db2.gz HPWMZMNCRNBLJO-IBGZPJMESA-N 1 1 313.441 3.635 20 30 DHEDMO C#CC[N@@H+](Cc1c(CC)nn(C)c1CC)[C@@H]1CCc2ccccc21 ZINC000768129675 1022899574 /nfs/dbraw/zinc/89/95/74/1022899574.db2.gz JGELULAUQBOTRZ-OAQYLSRUSA-N 1 1 321.468 3.668 20 30 DHEDMO C#CC[N@H+](Cc1c(CC)nn(C)c1CC)[C@@H]1CCc2ccccc21 ZINC000768129675 1022899586 /nfs/dbraw/zinc/89/95/86/1022899586.db2.gz JGELULAUQBOTRZ-OAQYLSRUSA-N 1 1 321.468 3.668 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000768139754 1022904416 /nfs/dbraw/zinc/90/44/16/1022904416.db2.gz IBLPAKPVMIISCM-UHFFFAOYSA-N 1 1 305.422 3.827 20 30 DHEDMO C=CCSc1ccccc1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617344903 1022916080 /nfs/dbraw/zinc/91/60/80/1022916080.db2.gz RMMQYZOJPBTSFN-AWEZNQCLSA-N 1 1 318.486 3.567 20 30 DHEDMO C=CCC[C@@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617344726 1022917056 /nfs/dbraw/zinc/91/70/56/1022917056.db2.gz OJXCDTWPMKPNNI-QZTJIDSGSA-N 1 1 314.473 3.725 20 30 DHEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNc2snc(Cl)c2C#N)C1 ZINC000092642354 1022933929 /nfs/dbraw/zinc/93/39/29/1022933929.db2.gz HITXPJYVFHRERS-SNVBAGLBSA-N 1 1 312.870 3.591 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1C#N ZINC000859164205 1033089569 /nfs/dbraw/zinc/08/95/69/1033089569.db2.gz WJINFHPKGPWMNM-QZTJIDSGSA-N 1 1 310.397 3.548 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)c(C)cc1O ZINC000768439335 1022968895 /nfs/dbraw/zinc/96/88/95/1022968895.db2.gz KIWYYAWJLMYTJW-UHFFFAOYSA-N 1 1 324.424 3.993 20 30 DHEDMO CC[N@H+](c1ccc(NC[C@H](O)CC(C)(C)C#N)cc1)C(C)C ZINC000857238273 1022974800 /nfs/dbraw/zinc/97/48/00/1022974800.db2.gz JSJCHZVZKIRXGJ-QGZVFWFLSA-N 1 1 303.450 3.634 20 30 DHEDMO CC1CC[NH+](c2ccc(NC[C@H](O)CC(C)(C)C#N)cc2)CC1 ZINC000857238410 1022975960 /nfs/dbraw/zinc/97/59/60/1022975960.db2.gz PISANMLZZHZSND-GOSISDBHSA-N 1 1 315.461 3.636 20 30 DHEDMO C[C@@H](c1ccccn1)[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000768734700 1023018035 /nfs/dbraw/zinc/01/80/35/1023018035.db2.gz OXROEEDNNAHLMO-ZDUSSCGKSA-N 1 1 315.804 3.830 20 30 DHEDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000768734700 1023018048 /nfs/dbraw/zinc/01/80/48/1023018048.db2.gz OXROEEDNNAHLMO-ZDUSSCGKSA-N 1 1 315.804 3.830 20 30 DHEDMO C#CCOc1ccc(C[N@H+](CC)[C@H](C)c2cccc(O)c2)cc1 ZINC000768873989 1023045715 /nfs/dbraw/zinc/04/57/15/1023045715.db2.gz XOEVGYNKRWRHIJ-MRXNPFEDSA-N 1 1 309.409 3.987 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc(OCCC#N)cc1 ZINC001167754049 1023047409 /nfs/dbraw/zinc/04/74/09/1023047409.db2.gz UCAUARCOVJOGLH-INIZCTEOSA-N 1 1 301.434 3.655 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1c(O)cccc1OC ZINC000768932034 1023059915 /nfs/dbraw/zinc/05/99/15/1023059915.db2.gz VLPSSBSBEYIUEC-UHFFFAOYSA-N 1 1 313.397 3.598 20 30 DHEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC001252541497 1033102002 /nfs/dbraw/zinc/10/20/02/1033102002.db2.gz MOYAUXGVDYXVKB-GJZGRUSLSA-N 1 1 310.235 3.523 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC000769238727 1023105896 /nfs/dbraw/zinc/10/58/96/1023105896.db2.gz HAAODWICBQQSNA-MSOLQXFVSA-N 1 1 312.438 3.708 20 30 DHEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000769475133 1023165122 /nfs/dbraw/zinc/16/51/22/1023165122.db2.gz UKVQWXYPFPHIED-KRWDZBQOSA-N 1 1 321.420 3.697 20 30 DHEDMO C#CC[N@H+](Cc1ccc(OC)c(COCC)c1)C1CCCC1 ZINC000769529832 1023173760 /nfs/dbraw/zinc/17/37/60/1023173760.db2.gz FOCMUHYHCCPRSR-UHFFFAOYSA-N 1 1 301.430 3.610 20 30 DHEDMO C#CCCOc1ccc(C[N@H+](C)Cc2cccc(N(C)C)c2)cc1 ZINC000769538840 1023175979 /nfs/dbraw/zinc/17/59/79/1023175979.db2.gz XXVKQMPROPZPKE-UHFFFAOYSA-N 1 1 322.452 3.787 20 30 DHEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OCCCCC2(C#N)CCC2)C1 ZINC000909335609 1023242722 /nfs/dbraw/zinc/24/27/22/1023242722.db2.gz RNBTWCAOPJSHRZ-SFHVURJKSA-N 1 1 324.440 3.606 20 30 DHEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000769953050 1023245225 /nfs/dbraw/zinc/24/52/25/1023245225.db2.gz JJFVCKOJRZFFBZ-LAPQFRIASA-N 1 1 324.399 3.739 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000538626842 1033123988 /nfs/dbraw/zinc/12/39/88/1033123988.db2.gz BSJINRYJNUISFG-GOSISDBHSA-N 1 1 303.833 3.583 20 30 DHEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660626337 1023352536 /nfs/dbraw/zinc/35/25/36/1023352536.db2.gz IZXIJRUSTRBXDF-QGZVFWFLSA-N 1 1 310.828 3.966 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660626337 1023352538 /nfs/dbraw/zinc/35/25/38/1023352538.db2.gz IZXIJRUSTRBXDF-QGZVFWFLSA-N 1 1 310.828 3.966 20 30 DHEDMO C#CC[NH+]1CCC(c2nc(C3CCCCCCC3)no2)CC1 ZINC000770878586 1023354918 /nfs/dbraw/zinc/35/49/18/1023354918.db2.gz FMEVYEVEGSMVLP-UHFFFAOYSA-N 1 1 301.434 3.710 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1c(C)nn(C(C)C)c1C ZINC000893420117 1023478739 /nfs/dbraw/zinc/47/87/39/1023478739.db2.gz JBPRJLPWKYFPDZ-UHFFFAOYSA-N 1 1 301.434 3.905 20 30 DHEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(Cc2ccccc2)n1 ZINC000661117891 1023487641 /nfs/dbraw/zinc/48/76/41/1023487641.db2.gz UYCZKMLSJSJXQT-IAGOWNOFSA-N 1 1 311.429 3.885 20 30 DHEDMO C#CC[N@@H+](Cc1ccc2c[nH]nc2c1)[C@@H]1CCc2ccccc21 ZINC000772600151 1023577258 /nfs/dbraw/zinc/57/72/58/1023577258.db2.gz UWHAJPAQIFPOIG-HXUWFJFHSA-N 1 1 301.393 3.686 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000661380569 1023581032 /nfs/dbraw/zinc/58/10/32/1023581032.db2.gz OFGSUVLIJXADPT-ZBFHGGJFSA-N 1 1 314.429 3.504 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000661380569 1023581048 /nfs/dbraw/zinc/58/10/48/1023581048.db2.gz OFGSUVLIJXADPT-ZBFHGGJFSA-N 1 1 314.429 3.504 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)C1 ZINC000661381173 1023585071 /nfs/dbraw/zinc/58/50/71/1023585071.db2.gz WVBWZWDFLPUKNV-HOCLYGCPSA-N 1 1 316.445 3.693 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)C1 ZINC000661381173 1023585072 /nfs/dbraw/zinc/58/50/72/1023585072.db2.gz WVBWZWDFLPUKNV-HOCLYGCPSA-N 1 1 316.445 3.693 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(F)cccc2F)C1 ZINC000661378497 1023585517 /nfs/dbraw/zinc/58/55/17/1023585517.db2.gz HPKVRPBUVZFJQK-OLZOCXBDSA-N 1 1 308.372 3.580 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(F)cccc2F)C1 ZINC000661378497 1023585523 /nfs/dbraw/zinc/58/55/23/1023585523.db2.gz HPKVRPBUVZFJQK-OLZOCXBDSA-N 1 1 308.372 3.580 20 30 DHEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000337715803 1033149148 /nfs/dbraw/zinc/14/91/48/1033149148.db2.gz RAXYRVWIZSRQFQ-INIZCTEOSA-N 1 1 323.415 3.576 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000066900068 1023705616 /nfs/dbraw/zinc/70/56/16/1023705616.db2.gz WMEUCHBFCSIMAE-SFHVURJKSA-N 1 1 320.392 3.667 20 30 DHEDMO C=CCC[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000786580050 1023708443 /nfs/dbraw/zinc/70/84/43/1023708443.db2.gz XBTRVUZNUPCWBC-UHFFFAOYSA-N 1 1 303.406 3.593 20 30 DHEDMO N#Cc1ccnc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC001170062000 1023715335 /nfs/dbraw/zinc/71/53/35/1023715335.db2.gz IBQUOUQNYHMVHZ-ZCNNSNEGSA-N 1 1 303.409 3.721 20 30 DHEDMO N#Cc1ccnc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC001170061999 1023715717 /nfs/dbraw/zinc/71/57/17/1023715717.db2.gz IBQUOUQNYHMVHZ-XUVXKRRUSA-N 1 1 303.409 3.721 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)C(C)(C)C ZINC000661754716 1023729569 /nfs/dbraw/zinc/72/95/69/1023729569.db2.gz BTUNKZYMVOEBLG-CQSZACIVSA-N 1 1 306.425 3.632 20 30 DHEDMO C=CCOc1cccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000538739543 1033157057 /nfs/dbraw/zinc/15/70/57/1033157057.db2.gz WEJSEQMDNXIUMR-NRFANRHFSA-N 1 1 323.436 3.733 20 30 DHEDMO C=CC[N@H+](CC[C@H]1Sc2ccccc2NC1=O)C(C)(C)C ZINC000661757368 1023731341 /nfs/dbraw/zinc/73/13/41/1023731341.db2.gz GZINAPSRSJLFJH-OAHLLOKOSA-N 1 1 304.459 3.776 20 30 DHEDMO C=CC[N@@H+](CC(=O)c1cc(C)n([C@@H](C)COC)c1C)C(C)(C)C ZINC000661755435 1023732973 /nfs/dbraw/zinc/73/29/73/1023732973.db2.gz QQZSDDNTOJWSHF-HNNXBMFYSA-N 1 1 320.477 3.782 20 30 DHEDMO C=CC[N@H+](CC(=O)c1cc(C)n([C@@H](C)COC)c1C)C(C)(C)C ZINC000661755435 1023732983 /nfs/dbraw/zinc/73/29/83/1023732983.db2.gz QQZSDDNTOJWSHF-HNNXBMFYSA-N 1 1 320.477 3.782 20 30 DHEDMO C#Cc1ccc(C[N@H+](Cc2ccc(O)c(OC)c2)C2CC2)cc1 ZINC000787776891 1023821844 /nfs/dbraw/zinc/82/18/44/1023821844.db2.gz DCZCCANHKVORMY-UHFFFAOYSA-N 1 1 307.393 3.547 20 30 DHEDMO C=CCCC[N@H+](C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000605903439 1023834660 /nfs/dbraw/zinc/83/46/60/1023834660.db2.gz RNNGNWGDHCEBBO-GFCCVEGCSA-N 1 1 318.244 3.631 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1Cl ZINC000662078804 1023887711 /nfs/dbraw/zinc/88/77/11/1023887711.db2.gz GWYPWSAVXJBCOQ-OKILXGFUSA-N 1 1 304.821 3.852 20 30 DHEDMO CCC#C[C@@H](C)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001170085313 1023888681 /nfs/dbraw/zinc/88/86/81/1023888681.db2.gz GYEDJHDLVWDJTL-WBVHZDCISA-N 1 1 304.503 3.612 20 30 DHEDMO CCC#C[C@@H](C)[N@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC001170085313 1023888724 /nfs/dbraw/zinc/88/87/24/1023888724.db2.gz GYEDJHDLVWDJTL-WBVHZDCISA-N 1 1 304.503 3.612 20 30 DHEDMO CCC#C[C@@H](C)[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC001170085313 1023888729 /nfs/dbraw/zinc/88/87/29/1023888729.db2.gz GYEDJHDLVWDJTL-WBVHZDCISA-N 1 1 304.503 3.612 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000662084878 1023891875 /nfs/dbraw/zinc/89/18/75/1023891875.db2.gz ABNGMUMYQRMPJB-OWCLPIDISA-N 1 1 317.433 3.663 20 30 DHEDMO Cc1csc([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(C#N)c3)C2)n1 ZINC000931614925 1023893886 /nfs/dbraw/zinc/89/38/86/1023893886.db2.gz HYGQPHSNNMAAQX-CQSZACIVSA-N 1 1 317.845 3.966 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000662091513 1023901055 /nfs/dbraw/zinc/90/10/55/1023901055.db2.gz ZHBIJVFXURZWSY-BETUJISGSA-N 1 1 314.458 3.573 20 30 DHEDMO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876899946 1033179499 /nfs/dbraw/zinc/17/94/99/1033179499.db2.gz BUVMSHYEIJYJHH-GFCCVEGCSA-N 1 1 315.804 3.775 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000266568062 1024043000 /nfs/dbraw/zinc/04/30/00/1024043000.db2.gz ORZWSKSTXHXFLK-OXJNMPFZSA-N 1 1 322.408 3.551 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000266568062 1024043014 /nfs/dbraw/zinc/04/30/14/1024043014.db2.gz ORZWSKSTXHXFLK-OXJNMPFZSA-N 1 1 322.408 3.551 20 30 DHEDMO CC[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1OC ZINC000876927972 1033184489 /nfs/dbraw/zinc/18/44/89/1033184489.db2.gz QACGXWBHLBFSDI-OAHLLOKOSA-N 1 1 315.804 3.856 20 30 DHEDMO N#CCCCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000268323286 1024100713 /nfs/dbraw/zinc/10/07/13/1024100713.db2.gz LLNMRXHGICDSEW-SFHVURJKSA-N 1 1 314.454 3.978 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000268464332 1024117964 /nfs/dbraw/zinc/11/79/64/1024117964.db2.gz LGIRGUXECVFQIN-QAPCUYQASA-N 1 1 313.445 3.520 20 30 DHEDMO CCCOc1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)cc1 ZINC000876941716 1033187292 /nfs/dbraw/zinc/18/72/92/1033187292.db2.gz PHLGRBZMTPZKMZ-UHFFFAOYSA-N 1 1 315.804 3.685 20 30 DHEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268642379 1024138427 /nfs/dbraw/zinc/13/84/27/1024138427.db2.gz DSUBKPJDARSWGW-WNYOCNMUSA-N 1 1 324.399 3.609 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000268960449 1024203859 /nfs/dbraw/zinc/20/38/59/1024203859.db2.gz ICPQRXWNOCYIOE-MRXNPFEDSA-N 1 1 308.429 3.590 20 30 DHEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](CO)c1ccccc1 ZINC000269048439 1024230276 /nfs/dbraw/zinc/23/02/76/1024230276.db2.gz ZJENIKRERBJKQI-IBGZPJMESA-N 1 1 308.425 3.653 20 30 DHEDMO CCC[C@@H]([NH2+][C@H](C)CCCC#N)C(=O)OCc1ccccc1 ZINC001172487027 1033197397 /nfs/dbraw/zinc/19/73/97/1033197397.db2.gz IWIWUEMNZBVJHY-NVXWUHKLSA-N 1 1 302.418 3.570 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CSCc3ccccc32)c1 ZINC000876974557 1033197457 /nfs/dbraw/zinc/19/74/57/1033197457.db2.gz KWSZDEHWGMPMSK-OAHLLOKOSA-N 1 1 315.829 3.684 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000131144979 1024266399 /nfs/dbraw/zinc/26/63/99/1024266399.db2.gz LGQUEMWDOFRYAR-GFCCVEGCSA-N 1 1 313.426 3.601 20 30 DHEDMO N#Cc1ccc(F)c(C[NH+]2CCC(OCc3ccccc3)CC2)c1 ZINC000053944225 1024283553 /nfs/dbraw/zinc/28/35/53/1024283553.db2.gz AGLAVMZSRAAUFP-UHFFFAOYSA-N 1 1 324.399 3.879 20 30 DHEDMO C=C(C)CN1CCC([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269901527 1024327676 /nfs/dbraw/zinc/32/76/76/1024327676.db2.gz ZEDWOOWWWBTNTM-QGZVFWFLSA-N 1 1 306.400 3.582 20 30 DHEDMO CCC[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccn1 ZINC000877013398 1033204114 /nfs/dbraw/zinc/20/41/14/1033204114.db2.gz QFTDZCPRIPGBGK-AWEZNQCLSA-N 1 1 300.793 3.633 20 30 DHEDMO CCC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000348802606 1024390520 /nfs/dbraw/zinc/39/05/20/1024390520.db2.gz AYKFTAIKHSTTOJ-MRXNPFEDSA-N 1 1 310.401 3.763 20 30 DHEDMO C#CCCN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000270513029 1024400963 /nfs/dbraw/zinc/40/09/63/1024400963.db2.gz KGBSVRNVGJLKAI-UHFFFAOYSA-N 1 1 324.390 3.625 20 30 DHEDMO C#CCC[NH+]1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000270513029 1024400966 /nfs/dbraw/zinc/40/09/66/1024400966.db2.gz KGBSVRNVGJLKAI-UHFFFAOYSA-N 1 1 324.390 3.625 20 30 DHEDMO C=CCCc1noc([C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)n1 ZINC000453237167 1024419208 /nfs/dbraw/zinc/41/92/08/1024419208.db2.gz OPDMSOOHGWBKIM-YLJYHZDGSA-N 1 1 323.440 3.742 20 30 DHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2nc(Cl)cs2)c1 ZINC000877046705 1033218473 /nfs/dbraw/zinc/21/84/73/1033218473.db2.gz RELMLBKXPPZISL-LBPRGKRZSA-N 1 1 321.833 3.767 20 30 DHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2nc(Cl)cs2)c1 ZINC000877046704 1033217148 /nfs/dbraw/zinc/21/71/48/1033217148.db2.gz RELMLBKXPPZISL-GFCCVEGCSA-N 1 1 321.833 3.767 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274320224 1024567886 /nfs/dbraw/zinc/56/78/86/1024567886.db2.gz GFWVGSWMWSKSGV-SCTDSRPQSA-N 1 1 314.473 3.616 20 30 DHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C(C)(C)c1ccccc1 ZINC000585754305 1024591680 /nfs/dbraw/zinc/59/16/80/1024591680.db2.gz GWKOQULWHZODDA-UHFFFAOYSA-N 1 1 300.446 3.954 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)CCC1 ZINC000930178475 1024593070 /nfs/dbraw/zinc/59/30/70/1024593070.db2.gz ACGXHMDEYHFVMD-QZTJIDSGSA-N 1 1 304.478 3.989 20 30 DHEDMO Cc1[nH+]ccn1CCCCNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000166873595 1024659587 /nfs/dbraw/zinc/65/95/87/1024659587.db2.gz ZEAUWNLGPCMMHT-UHFFFAOYSA-N 1 1 322.334 3.974 20 30 DHEDMO C#CC[N@H+](C)CCCC(=O)Nc1c(CC)ccc(Cl)c1CC ZINC000792305945 1024659864 /nfs/dbraw/zinc/65/98/64/1024659864.db2.gz MJOIADVKEAZVJT-UHFFFAOYSA-N 1 1 320.864 3.749 20 30 DHEDMO C[C@@H](CCCC#N)[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001172499490 1033228735 /nfs/dbraw/zinc/22/87/35/1033228735.db2.gz DNZOZUKKUBLEMN-AZUAARDMSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001172499490 1033228742 /nfs/dbraw/zinc/22/87/42/1033228742.db2.gz DNZOZUKKUBLEMN-AZUAARDMSA-N 1 1 311.473 3.667 20 30 DHEDMO CCC#C[C@@H](C)[N@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC001170243756 1024707020 /nfs/dbraw/zinc/70/70/20/1024707020.db2.gz IUJUGUUCPBBFSS-OAHLLOKOSA-N 1 1 304.865 3.962 20 30 DHEDMO CC[N@@H+]([C@H](C)CCCC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001172499222 1033229932 /nfs/dbraw/zinc/22/99/32/1033229932.db2.gz VRALEMGKRRSYRO-HZPDHXFCSA-N 1 1 323.481 3.790 20 30 DHEDMO CC(C)[NH+]1CCC(C[N@@H+](C)Cc2cccc(Cl)c2C#N)CC1 ZINC001139690490 1024727077 /nfs/dbraw/zinc/72/70/77/1024727077.db2.gz CEAJDDYSDZYSHR-UHFFFAOYSA-N 1 1 319.880 3.764 20 30 DHEDMO CC(C)[NH+]1CCC(CN(C)Cc2cccc(Cl)c2C#N)CC1 ZINC001139690490 1024727090 /nfs/dbraw/zinc/72/70/90/1024727090.db2.gz CEAJDDYSDZYSHR-UHFFFAOYSA-N 1 1 319.880 3.764 20 30 DHEDMO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170359444 1024752735 /nfs/dbraw/zinc/75/27/35/1024752735.db2.gz YBULKPKAKZFNNW-MFRAEPQCSA-N 1 1 323.484 3.605 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCc3ncccc3C2)CC1 ZINC001170389683 1024761124 /nfs/dbraw/zinc/76/11/24/1024761124.db2.gz YSXWZSVZKGNPKU-UHFFFAOYSA-N 1 1 317.436 3.844 20 30 DHEDMO C[N@H+](C1CCC(C#N)(c2ccccc2)CC1)[C@H]1CC[C@H](O)CC1 ZINC001170378738 1024765317 /nfs/dbraw/zinc/76/53/17/1024765317.db2.gz JUPHVVHZNFLDED-OFVLBHHSSA-N 1 1 312.457 3.626 20 30 DHEDMO CCCCCCC[C@H](CCC)[N@H+]1Cc2ccnn2CC[C@@H]1CO ZINC001172510379 1033237895 /nfs/dbraw/zinc/23/78/95/1033237895.db2.gz AVGUFADKGSXUSQ-PKOBYXMFSA-N 1 1 321.509 3.979 20 30 DHEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000279221016 1024797265 /nfs/dbraw/zinc/79/72/65/1024797265.db2.gz IAWZDPFQYLHFIC-UHFFFAOYSA-N 1 1 306.409 3.636 20 30 DHEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000279221016 1024797272 /nfs/dbraw/zinc/79/72/72/1024797272.db2.gz IAWZDPFQYLHFIC-UHFFFAOYSA-N 1 1 306.409 3.636 20 30 DHEDMO COC(=O)c1ccc(N[NH2+]C(C)=C2CC2(F)F)cc1Cl ZINC000841633472 1024802041 /nfs/dbraw/zinc/80/20/41/1024802041.db2.gz WVTTYIYKOHHVJY-SNVBAGLBSA-N 1 1 302.708 3.570 20 30 DHEDMO C[C@@H](CCCC#N)[N@@H+](C)[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001172503915 1033235313 /nfs/dbraw/zinc/23/53/13/1033235313.db2.gz CNZJLFJAEGFGQB-CMKODMSKSA-N 1 1 313.489 3.911 20 30 DHEDMO COc1ccc([C@H]2CSCC[N@H+]2[C@@H](C)CCCC#N)cc1 ZINC001172506939 1033235788 /nfs/dbraw/zinc/23/57/88/1033235788.db2.gz MGOQRHGCUGWBGD-WMLDXEAASA-N 1 1 304.459 3.867 20 30 DHEDMO CC(C)[N@@H+]([C@H](C)CCCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001172508066 1033236831 /nfs/dbraw/zinc/23/68/31/1033236831.db2.gz BBALRQHIDJXFHF-HZPDHXFCSA-N 1 1 323.481 3.789 20 30 DHEDMO CCCCCCC[C@@H](CCC)[N@H+]1Cc2ccnn2CC[C@@H]1CO ZINC001172510377 1033237025 /nfs/dbraw/zinc/23/70/25/1033237025.db2.gz AVGUFADKGSXUSQ-IEBWSBKVSA-N 1 1 321.509 3.979 20 30 DHEDMO C=CCCn1cc(C[N@H+](Cc2ccc(F)cc2)C(C)(C)C)nn1 ZINC000653570015 1024892285 /nfs/dbraw/zinc/89/22/85/1024892285.db2.gz XVPILCUFPYTSBK-UHFFFAOYSA-N 1 1 316.424 3.794 20 30 DHEDMO C=CCCn1cc(C[N@@H+](Cc2ccc(F)cc2)C(C)(C)C)nn1 ZINC000653570015 1024892300 /nfs/dbraw/zinc/89/23/00/1024892300.db2.gz XVPILCUFPYTSBK-UHFFFAOYSA-N 1 1 316.424 3.794 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CC[N@H+](C[C@@H](C)CCC=C(C)C)C2)C1=O ZINC001275068118 1024898601 /nfs/dbraw/zinc/89/86/01/1024898601.db2.gz DITYZZDIAFRWLT-AZUAARDMSA-N 1 1 318.505 3.869 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1c1ccc(NCC#Cc2ccccc2)nc1 ZINC001170425924 1024901730 /nfs/dbraw/zinc/90/17/30/1024901730.db2.gz KCGPMRKUNHURHL-LJQANCHMSA-N 1 1 305.425 3.702 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1cccc(Cl)n1 ZINC000793161148 1024906180 /nfs/dbraw/zinc/90/61/80/1024906180.db2.gz IGWLCMFWEPXDMQ-CYBMUJFWSA-N 1 1 314.820 3.655 20 30 DHEDMO CCCCCC[N@H+]1CCC[C@@]2(CCN(CCCC#N)C2=O)CC1 ZINC001275105673 1024913647 /nfs/dbraw/zinc/91/36/47/1024913647.db2.gz GHJRKESFTAZATG-IBGZPJMESA-N 1 1 319.493 3.575 20 30 DHEDMO C=C(C)CN1c2ccccc2[C@@]2(CC[N@H+](CCCCC)C2)C1=O ZINC001275105286 1024913824 /nfs/dbraw/zinc/91/38/24/1024913824.db2.gz CEMAVTSNAIOBCP-FQEVSTJZSA-N 1 1 312.457 3.743 20 30 DHEDMO C=C(C)CN1c2ccccc2[C@]2(CC[N@H+](CCC(C)C)C2)C1=O ZINC001275094507 1024915309 /nfs/dbraw/zinc/91/53/09/1024915309.db2.gz ZDAQZZYVTAETDO-HXUWFJFHSA-N 1 1 312.457 3.599 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@]2(CC(=O)N([C@H](C)CC)C2=O)C1 ZINC001275112013 1024916755 /nfs/dbraw/zinc/91/67/55/1024916755.db2.gz WHRUWBYTGOLRTE-APWZRJJASA-N 1 1 322.493 3.596 20 30 DHEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCCCCCC ZINC001275113311 1024917575 /nfs/dbraw/zinc/91/75/75/1024917575.db2.gz AVIDGZPSUNLGJH-LJQANCHMSA-N 1 1 306.494 3.990 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@]2(CCN(CC(C)C)C2=O)C1 ZINC001275114141 1024921152 /nfs/dbraw/zinc/92/11/52/1024921152.db2.gz JZBWXMJWEIMUDM-IBGZPJMESA-N 1 1 308.510 3.927 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+](CCC(C)(C)C)CC2)C1=O ZINC001275125928 1024924133 /nfs/dbraw/zinc/92/41/33/1024924133.db2.gz ARVRMBYVUIHOPK-LJQANCHMSA-N 1 1 306.494 3.703 20 30 DHEDMO C[N@@H+](CCCOCCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000051401088 1024968214 /nfs/dbraw/zinc/96/82/14/1024968214.db2.gz ZUSMQUPTOPHNCV-UHFFFAOYSA-N 1 1 308.425 3.639 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](CCCO)Cc2ccccc2)cc1 ZINC000353322272 1025025447 /nfs/dbraw/zinc/02/54/47/1025025447.db2.gz USQUPUBNUZYFNO-UHFFFAOYSA-N 1 1 311.425 3.636 20 30 DHEDMO C#CC[N@@H+](Cc1cnc(C(C)(C)C)nc1)[C@@H]1CCc2ccccc21 ZINC000793575379 1025112940 /nfs/dbraw/zinc/11/29/40/1025112940.db2.gz WUWAYJBRWRBQPU-LJQANCHMSA-N 1 1 319.452 3.897 20 30 DHEDMO C#CC[N@H+](Cc1cnc(C(C)(C)C)nc1)[C@@H]1CCc2ccccc21 ZINC000793575379 1025112947 /nfs/dbraw/zinc/11/29/47/1025112947.db2.gz WUWAYJBRWRBQPU-LJQANCHMSA-N 1 1 319.452 3.897 20 30 DHEDMO C=C(Cl)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000134932613 1025145497 /nfs/dbraw/zinc/14/54/97/1025145497.db2.gz HSHTVRXLZTWYOJ-ZETCQYMHSA-N 1 1 308.578 3.697 20 30 DHEDMO CN(Cc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000351971680 1025227687 /nfs/dbraw/zinc/22/76/87/1025227687.db2.gz FCNXYIBSVJBCBI-OAQYLSRUSA-N 1 1 319.452 3.655 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000351971680 1025227704 /nfs/dbraw/zinc/22/77/04/1025227704.db2.gz FCNXYIBSVJBCBI-OAQYLSRUSA-N 1 1 319.452 3.655 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000351971680 1025227724 /nfs/dbraw/zinc/22/77/24/1025227724.db2.gz FCNXYIBSVJBCBI-OAQYLSRUSA-N 1 1 319.452 3.655 20 30 DHEDMO Cc1oc(NC(=O)C[N@@H+](C2CC2)C2CCCCC2)c(C#N)c1C ZINC000610927440 1025237701 /nfs/dbraw/zinc/23/77/01/1025237701.db2.gz UJODLQLWOJXDDY-UHFFFAOYSA-N 1 1 315.417 3.504 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000353754756 1025238137 /nfs/dbraw/zinc/23/81/37/1025238137.db2.gz ZTCFNQGEPXMOHO-LJQANCHMSA-N 1 1 301.430 3.644 20 30 DHEDMO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352831067 1025280378 /nfs/dbraw/zinc/28/03/78/1025280378.db2.gz BTCRAKFJMDGBLH-LBPRGKRZSA-N 1 1 301.415 3.653 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCSC(C)(C)C2)cc1OC ZINC000353912810 1025287739 /nfs/dbraw/zinc/28/77/39/1025287739.db2.gz FRAGIIVKOWNWJX-UHFFFAOYSA-N 1 1 307.459 3.587 20 30 DHEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCc2ccccc2C1 ZINC000265136877 1033272218 /nfs/dbraw/zinc/27/22/18/1033272218.db2.gz KPMPMUYEGMUBFY-LJQANCHMSA-N 1 1 306.409 3.578 20 30 DHEDMO N#Cc1cccc(C[NH+]2CCC(OCc3ccccc3)CC2)c1F ZINC000352895828 1025311373 /nfs/dbraw/zinc/31/13/73/1025311373.db2.gz YLVPMMZDUURQEU-UHFFFAOYSA-N 1 1 324.399 3.879 20 30 DHEDMO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)CC(C)(C)C#N ZINC000354040951 1025332481 /nfs/dbraw/zinc/33/24/81/1025332481.db2.gz PSHYDCISCAZREI-UHFFFAOYSA-N 1 1 309.413 3.642 20 30 DHEDMO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)CC(C)(C)C#N ZINC000354040951 1025332496 /nfs/dbraw/zinc/33/24/96/1025332496.db2.gz PSHYDCISCAZREI-UHFFFAOYSA-N 1 1 309.413 3.642 20 30 DHEDMO N#Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000053227798 1025347289 /nfs/dbraw/zinc/34/72/89/1025347289.db2.gz XCCUHACUHHSCBN-HXUWFJFHSA-N 1 1 306.409 3.739 20 30 DHEDMO N#Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000053227798 1025347299 /nfs/dbraw/zinc/34/72/99/1025347299.db2.gz XCCUHACUHHSCBN-HXUWFJFHSA-N 1 1 306.409 3.739 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000539116015 1033278083 /nfs/dbraw/zinc/27/80/83/1033278083.db2.gz LRAKGUIFPWKMRA-OAHLLOKOSA-N 1 1 304.434 3.546 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2sccc2Cl)C1=O ZINC001275313912 1025399415 /nfs/dbraw/zinc/39/94/15/1025399415.db2.gz IVZLKDLMPRESDQ-MRXNPFEDSA-N 1 1 324.877 3.545 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2sccc2Cl)C1=O ZINC001275313912 1025399423 /nfs/dbraw/zinc/39/94/23/1025399423.db2.gz IVZLKDLMPRESDQ-MRXNPFEDSA-N 1 1 324.877 3.545 20 30 DHEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885937928 1025411834 /nfs/dbraw/zinc/41/18/34/1025411834.db2.gz NDJUFHHXMAVIJF-CJNGLKHVSA-N 1 1 306.837 3.778 20 30 DHEDMO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H](O)CC1(C#N)CCC1 ZINC000885956800 1025418870 /nfs/dbraw/zinc/41/88/70/1025418870.db2.gz YSJPIAUOBMVBDG-QFBILLFUSA-N 1 1 312.457 3.732 20 30 DHEDMO CC[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@@H](C)c1ccc(F)cc1 ZINC000885964754 1025422089 /nfs/dbraw/zinc/42/20/89/1025422089.db2.gz FMXRXEXKLASAOV-YOEHRIQHSA-N 1 1 304.409 3.653 20 30 DHEDMO C=CCCCCC[N@H+]1CC[C@@]2(C1)c1ccccc1N(CC=C)C2=O ZINC001275325632 1025427928 /nfs/dbraw/zinc/42/79/28/1025427928.db2.gz QFEACGYLRGZOJV-OAQYLSRUSA-N 1 1 324.468 3.909 20 30 DHEDMO C=CCCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC=C ZINC001275330036 1025432669 /nfs/dbraw/zinc/43/26/69/1025432669.db2.gz KKQHLXUDBXYPKG-QZTJIDSGSA-N 1 1 304.478 3.764 20 30 DHEDMO C=CCCCCC[N@@H+]1CCCC[C@@]12CC(=O)N(CC(=C)C)C2 ZINC001275328718 1025437615 /nfs/dbraw/zinc/43/76/15/1025437615.db2.gz BGBNPIWRCPKYNY-IBGZPJMESA-N 1 1 304.478 3.766 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCCCC[C@H]2c2ccco2)CCC1 ZINC000886014757 1025438949 /nfs/dbraw/zinc/43/89/49/1025438949.db2.gz OYSVSXNMYNFFME-CVEARBPZSA-N 1 1 302.418 3.642 20 30 DHEDMO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC[C@H]1c1ccccc1 ZINC000886020483 1025440808 /nfs/dbraw/zinc/44/08/08/1025440808.db2.gz AQJQSHSHEDHDHX-NZSAHSFTSA-N 1 1 312.457 3.557 20 30 DHEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886015271 1025441174 /nfs/dbraw/zinc/44/11/74/1025441174.db2.gz ZLVPNILWONRESU-KURKYZTESA-N 1 1 312.457 3.618 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H]1CC[C@H](C2CC2)O1 ZINC000886027868 1025444991 /nfs/dbraw/zinc/44/49/91/1025444991.db2.gz JZCZJQKGWVQYCA-YSTOQKLRSA-N 1 1 310.441 3.716 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CC[C@H](C2CC2)O1 ZINC000886027868 1025444999 /nfs/dbraw/zinc/44/49/99/1025444999.db2.gz JZCZJQKGWVQYCA-YSTOQKLRSA-N 1 1 310.441 3.716 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000354510192 1025447322 /nfs/dbraw/zinc/44/73/22/1025447322.db2.gz YITWAMUCHKWLRF-RVKKMQEKSA-N 1 1 315.436 3.535 20 30 DHEDMO C=C(C)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000728917318 1025455749 /nfs/dbraw/zinc/45/57/49/1025455749.db2.gz YUYWQTQGPLGCCN-CVEARBPZSA-N 1 1 308.466 3.817 20 30 DHEDMO C=CCC(C)(C)C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000644895222 1025484100 /nfs/dbraw/zinc/48/41/00/1025484100.db2.gz CJWQPBDKPWTNPI-UHFFFAOYSA-N 1 1 314.473 3.632 20 30 DHEDMO C[C@H](C#N)C[N@H+](C)CCCC(=O)c1ccc(Br)cc1 ZINC000050144405 1025496848 /nfs/dbraw/zinc/49/68/48/1025496848.db2.gz ISRLHXYFBLEHKD-GFCCVEGCSA-N 1 1 323.234 3.503 20 30 DHEDMO C[C@H](C#N)C[N@@H+](C)CCCC(=O)c1ccc(Br)cc1 ZINC000050144405 1025496857 /nfs/dbraw/zinc/49/68/57/1025496857.db2.gz ISRLHXYFBLEHKD-GFCCVEGCSA-N 1 1 323.234 3.503 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCCc3sccc32)c1 ZINC000877386288 1033290891 /nfs/dbraw/zinc/29/08/91/1033290891.db2.gz HYPGMRBIRKVDMF-ZDUSSCGKSA-N 1 1 303.818 3.835 20 30 DHEDMO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000860038191 1033287713 /nfs/dbraw/zinc/28/77/13/1033287713.db2.gz PGIGOTWMHOPENN-NXOAAHMSSA-N 1 1 320.477 3.530 20 30 DHEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886207746 1025557908 /nfs/dbraw/zinc/55/79/08/1025557908.db2.gz LDWCVGBXAJVDHU-RDJZCZTQSA-N 1 1 316.445 3.523 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000886354027 1025600684 /nfs/dbraw/zinc/60/06/84/1025600684.db2.gz UWRBWIJFQFIWSD-ZDUSSCGKSA-N 1 1 300.789 3.840 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000886360494 1025603248 /nfs/dbraw/zinc/60/32/48/1025603248.db2.gz WWHKXJXZUNDSKP-NSHDSACASA-N 1 1 308.303 3.692 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000066350182 1025618784 /nfs/dbraw/zinc/61/87/84/1025618784.db2.gz YTTADGQQVFLOGG-HNNXBMFYSA-N 1 1 306.413 3.791 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2oc(=O)oc2c1 ZINC000893945948 1025618750 /nfs/dbraw/zinc/61/87/50/1025618750.db2.gz PBTMIYFVBWDJAH-UHFFFAOYSA-N 1 1 322.364 3.668 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@](C)(OC)C2)ccc1OC ZINC000355226018 1025645353 /nfs/dbraw/zinc/64/53/53/1025645353.db2.gz UBLDPSBAMZKYRS-LJQANCHMSA-N 1 1 319.445 3.651 20 30 DHEDMO CCn1cc(C[N@H+](CCC#N)CC2CC2)c(-c2ccccc2)n1 ZINC000894003357 1025648107 /nfs/dbraw/zinc/64/81/07/1025648107.db2.gz KFKGCEYWONOTGJ-UHFFFAOYSA-N 1 1 308.429 3.696 20 30 DHEDMO CCn1cc(C[N@@H+](CCC#N)CC2CC2)c(-c2ccccc2)n1 ZINC000894003357 1025648114 /nfs/dbraw/zinc/64/81/14/1025648114.db2.gz KFKGCEYWONOTGJ-UHFFFAOYSA-N 1 1 308.429 3.696 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)OC2(C#N)CCC2)cc1)C(C)C ZINC000805892435 1025702448 /nfs/dbraw/zinc/70/24/48/1025702448.db2.gz DVEPUWATYRXUHC-UHFFFAOYSA-N 1 1 300.402 3.520 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1F ZINC000886617647 1025743209 /nfs/dbraw/zinc/74/32/09/1025743209.db2.gz UXZPNBNMJOAAKS-ZFWWWQNUSA-N 1 1 312.310 3.862 20 30 DHEDMO CSc1ccc(C[NH2+][C@H](C)c2csc(C)n2)cc1C#N ZINC000886688635 1025792285 /nfs/dbraw/zinc/79/22/85/1025792285.db2.gz WWOIVGBSOXBOOL-SNVBAGLBSA-N 1 1 303.456 3.896 20 30 DHEDMO COC1CCC([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614167459 1025793059 /nfs/dbraw/zinc/79/30/59/1025793059.db2.gz OYUKFXXBBBPRGT-UHFFFAOYSA-N 1 1 300.446 3.877 20 30 DHEDMO CSc1ccc(C[NH2+][C@@H](C)c2nc(C)cs2)cc1C#N ZINC000886692127 1025800255 /nfs/dbraw/zinc/80/02/55/1025800255.db2.gz SODYJRZFBVTAGF-NSHDSACASA-N 1 1 303.456 3.896 20 30 DHEDMO Cc1cnc(CC[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)s1 ZINC000614177695 1025805638 /nfs/dbraw/zinc/80/56/38/1025805638.db2.gz TXUYCJFPGSMTEF-UHFFFAOYSA-N 1 1 313.470 3.927 20 30 DHEDMO C=CCc1cc(C[NH2+]Cc2ccc(Cl)o2)cc(OC)c1OC ZINC000729683262 1025927442 /nfs/dbraw/zinc/92/74/42/1025927442.db2.gz KZRQEEMZUFKTHX-UHFFFAOYSA-N 1 1 321.804 3.969 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1cccc(C(=O)N(C)C)c1 ZINC000060465243 1025928424 /nfs/dbraw/zinc/92/84/24/1025928424.db2.gz SSFQRGCKGPAIER-UHFFFAOYSA-N 1 1 314.454 3.638 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc(C(=O)N(C)C)c1 ZINC000060465243 1025928434 /nfs/dbraw/zinc/92/84/34/1025928434.db2.gz SSFQRGCKGPAIER-UHFFFAOYSA-N 1 1 314.454 3.638 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000356117388 1025950303 /nfs/dbraw/zinc/95/03/03/1025950303.db2.gz WMPUDXQGURGKPO-DGCLKSJQSA-N 1 1 301.390 3.532 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1nc(C#N)cs1 ZINC000356117388 1025950316 /nfs/dbraw/zinc/95/03/16/1025950316.db2.gz WMPUDXQGURGKPO-DGCLKSJQSA-N 1 1 301.390 3.532 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccncc1F ZINC000356317098 1026019184 /nfs/dbraw/zinc/01/91/84/1026019184.db2.gz KIEYOPXCGXTQNW-SNVBAGLBSA-N 1 1 323.293 3.962 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000826535018 1026082127 /nfs/dbraw/zinc/08/21/27/1026082127.db2.gz PLUWHLVLUJLCPV-OAHLLOKOSA-N 1 1 310.372 3.858 20 30 DHEDMO C=CCCCCCCNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000807573030 1026085774 /nfs/dbraw/zinc/08/57/74/1026085774.db2.gz YFUZFPOAGHQDEE-UHFFFAOYSA-N 1 1 309.498 3.639 20 30 DHEDMO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000532966942 1026154575 /nfs/dbraw/zinc/15/45/75/1026154575.db2.gz CJBFUQGUWXWFQP-OAHLLOKOSA-N 1 1 316.445 3.894 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000532966942 1026154582 /nfs/dbraw/zinc/15/45/82/1026154582.db2.gz CJBFUQGUWXWFQP-OAHLLOKOSA-N 1 1 316.445 3.894 20 30 DHEDMO COc1ccc(Br)c(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000397564249 1026173831 /nfs/dbraw/zinc/17/38/31/1026173831.db2.gz AGTNAPRKNBNMMT-GFCCVEGCSA-N 1 1 323.234 3.583 20 30 DHEDMO COc1ccc(Br)c(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000397564249 1026173834 /nfs/dbraw/zinc/17/38/34/1026173834.db2.gz AGTNAPRKNBNMMT-GFCCVEGCSA-N 1 1 323.234 3.583 20 30 DHEDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000245770216 1026205803 /nfs/dbraw/zinc/20/58/03/1026205803.db2.gz ROLOMBNTEKCRJS-AEFFLSMTSA-N 1 1 316.445 3.759 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)cc1C#N ZINC000533079795 1026210550 /nfs/dbraw/zinc/21/05/50/1026210550.db2.gz IULZANJFZIAJAY-LJQANCHMSA-N 1 1 306.409 3.774 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1Br ZINC000397767363 1026258652 /nfs/dbraw/zinc/25/86/52/1026258652.db2.gz MDBYBVAOLWBNDS-ZDUSSCGKSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1Br ZINC000397767363 1026258666 /nfs/dbraw/zinc/25/86/66/1026258666.db2.gz MDBYBVAOLWBNDS-ZDUSSCGKSA-N 1 1 307.235 3.883 20 30 DHEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cnccc1C#N ZINC000398051035 1026284712 /nfs/dbraw/zinc/28/47/12/1026284712.db2.gz XSNVTRAQCVPJFH-IBGZPJMESA-N 1 1 308.429 3.522 20 30 DHEDMO CC[N@H+](Cc1ccc(C#N)cc1C)C[C@@H]1COc2ccccc2O1 ZINC000614395983 1026290370 /nfs/dbraw/zinc/29/03/70/1026290370.db2.gz ILCYCFUZYJNTSB-GOSISDBHSA-N 1 1 322.408 3.529 20 30 DHEDMO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(C#N)o2)C[N@H+]1Cc1ccccc1 ZINC000513498924 1026528022 /nfs/dbraw/zinc/52/80/22/1026528022.db2.gz CRDFUNNXWOWTEY-SJLPKXTDSA-N 1 1 323.440 3.542 20 30 DHEDMO C[C@@H](CC#N)[N@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809566486 1026549868 /nfs/dbraw/zinc/54/98/68/1026549868.db2.gz MCPYSLHPJSGFGI-KRWDZBQOSA-N 1 1 319.452 3.983 20 30 DHEDMO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809566486 1026549873 /nfs/dbraw/zinc/54/98/73/1026549873.db2.gz MCPYSLHPJSGFGI-KRWDZBQOSA-N 1 1 319.452 3.983 20 30 DHEDMO C#Cc1ccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000809576406 1026553331 /nfs/dbraw/zinc/55/33/31/1026553331.db2.gz UYGVQLORYCHYGH-OAQYLSRUSA-N 1 1 305.421 3.540 20 30 DHEDMO C#Cc1ccc(C[NH2+]Cc2ccsc2Br)cc1 ZINC000809662582 1026588915 /nfs/dbraw/zinc/58/89/15/1026588915.db2.gz LGSFUHSCCPXLCO-UHFFFAOYSA-N 1 1 306.228 3.782 20 30 DHEDMO C#C[C@@H](C)[NH2+]Cc1c(C)nn(-c2cccc(Cl)c2)c1Cl ZINC000809683683 1026592460 /nfs/dbraw/zinc/59/24/60/1026592460.db2.gz KHOBKBGUAQTUGT-SNVBAGLBSA-N 1 1 308.212 3.599 20 30 DHEDMO C#C[C@H](CC)[NH2+]Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000809686237 1026592504 /nfs/dbraw/zinc/59/25/04/1026592504.db2.gz CNISMTDJYLCCFB-OAHLLOKOSA-N 1 1 319.811 3.534 20 30 DHEDMO C=CCC[C@H](C(=O)O[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000810841853 1026867312 /nfs/dbraw/zinc/86/73/12/1026867312.db2.gz OAGTYUSQKBKOMW-OTWHNJEPSA-N 1 1 313.441 3.906 20 30 DHEDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1CCCSCC#N ZINC000420924364 1026879240 /nfs/dbraw/zinc/87/92/40/1026879240.db2.gz JUKTUEROPRKDAZ-KRWDZBQOSA-N 1 1 306.450 3.870 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000420939897 1026882889 /nfs/dbraw/zinc/88/28/89/1026882889.db2.gz CJEJQJXXSLMEQE-GFCCVEGCSA-N 1 1 300.299 3.862 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000420939897 1026882900 /nfs/dbraw/zinc/88/29/00/1026882900.db2.gz CJEJQJXXSLMEQE-GFCCVEGCSA-N 1 1 300.299 3.862 20 30 DHEDMO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccc(F)c(C#N)c1)CC2 ZINC000366741201 1026903522 /nfs/dbraw/zinc/90/35/22/1026903522.db2.gz VTFKCBXXIKKILZ-UHFFFAOYSA-N 1 1 322.383 3.501 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccc(Cl)cc1 ZINC000811517042 1027017847 /nfs/dbraw/zinc/01/78/47/1027017847.db2.gz GOFMHHVRLJSYOI-KRWDZBQOSA-N 1 1 310.784 3.684 20 30 DHEDMO CCCCCCCC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000811622560 1027038749 /nfs/dbraw/zinc/03/87/49/1027038749.db2.gz OLKZGVTVDFLLKF-UHFFFAOYSA-N 1 1 317.477 3.967 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCCCC2=NNC[C@@H]2CCSC2)C1 ZINC000811658270 1027045152 /nfs/dbraw/zinc/04/51/52/1027045152.db2.gz DWPMHTXDUUZRGX-DFGXFYAUSA-N 1 1 323.550 3.606 20 30 DHEDMO C[C@H]1C(N=Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000811637074 1027046417 /nfs/dbraw/zinc/04/64/17/1027046417.db2.gz QIMCSEGPKSKVHJ-HNNXBMFYSA-N 1 1 304.397 3.621 20 30 DHEDMO N#Cc1csc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000571364956 1027124659 /nfs/dbraw/zinc/12/46/59/1027124659.db2.gz GSIOLOLCZNPGJP-CEXWTWQISA-N 1 1 324.449 3.624 20 30 DHEDMO CC(C)OCCON=C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000812240637 1027220697 /nfs/dbraw/zinc/22/06/97/1027220697.db2.gz XFZLTAWYQZEMJQ-UHFFFAOYSA-N 1 1 318.461 3.859 20 30 DHEDMO C=CC[N@H+](CN1C[C@H](c2cccc(Cl)c2)CC1=O)C(C)C ZINC000812281881 1027233276 /nfs/dbraw/zinc/23/32/76/1027233276.db2.gz WTGDIDWJDLYIQE-OAHLLOKOSA-N 1 1 306.837 3.510 20 30 DHEDMO C=CC[N@@H+](CN1C[C@H](c2cccc(Cl)c2)CC1=O)C(C)C ZINC000812281881 1027233287 /nfs/dbraw/zinc/23/32/87/1027233287.db2.gz WTGDIDWJDLYIQE-OAHLLOKOSA-N 1 1 306.837 3.510 20 30 DHEDMO Cc1cccc(CC[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)n1 ZINC000572872877 1027240178 /nfs/dbraw/zinc/24/01/78/1027240178.db2.gz VOPJHSIULBDLOF-UXHICEINSA-N 1 1 305.425 3.704 20 30 DHEDMO CC(C)C[N@H+](CCC#N)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000812311033 1027242545 /nfs/dbraw/zinc/24/25/45/1027242545.db2.gz NHTUMJHPJAFUIX-OAHLLOKOSA-N 1 1 314.351 3.610 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000812311033 1027242558 /nfs/dbraw/zinc/24/25/58/1027242558.db2.gz NHTUMJHPJAFUIX-OAHLLOKOSA-N 1 1 314.351 3.610 20 30 DHEDMO N#Cc1ccsc1NC(=O)CC[N@@H+](C1CC1)C1CCCCC1 ZINC000048008870 1027253097 /nfs/dbraw/zinc/25/30/97/1027253097.db2.gz INUPUFQBCSFMJA-UHFFFAOYSA-N 1 1 317.458 3.745 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc2c(n1)CCC2 ZINC000573067013 1027257673 /nfs/dbraw/zinc/25/76/73/1027257673.db2.gz IQISAVANLFWQKG-UHFFFAOYSA-N 1 1 308.425 3.767 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc2c(n1)CCC2 ZINC000573067013 1027257690 /nfs/dbraw/zinc/25/76/90/1027257690.db2.gz IQISAVANLFWQKG-UHFFFAOYSA-N 1 1 308.425 3.767 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931793637 1027258371 /nfs/dbraw/zinc/25/83/71/1027258371.db2.gz GLDAUPQVGJBUNL-GOSISDBHSA-N 1 1 308.429 3.687 20 30 DHEDMO Cc1ccc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1C#N ZINC000931908740 1027297730 /nfs/dbraw/zinc/29/77/30/1027297730.db2.gz BNBSRQRXMNXWCQ-AWEZNQCLSA-N 1 1 312.310 3.733 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)ccc1F ZINC000931917396 1027305729 /nfs/dbraw/zinc/30/57/29/1027305729.db2.gz YAWHIBBAWAFRPC-ZDUSSCGKSA-N 1 1 316.273 3.564 20 30 DHEDMO N#Cc1ccccc1CSCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422987452 1027385948 /nfs/dbraw/zinc/38/59/48/1027385948.db2.gz IKIRWEYGKGWQQQ-RBUKOAKNSA-N 1 1 323.465 3.526 20 30 DHEDMO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1ccc(C#N)cn1 ZINC000562370432 1027393153 /nfs/dbraw/zinc/39/31/53/1027393153.db2.gz DTRJTNFDBULJKK-UHFFFAOYSA-N 1 1 315.804 3.508 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932203156 1027414041 /nfs/dbraw/zinc/41/40/41/1027414041.db2.gz HWYKXPKWJPKDHW-ZDUSSCGKSA-N 1 1 315.417 3.609 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932203156 1027414047 /nfs/dbraw/zinc/41/40/47/1027414047.db2.gz HWYKXPKWJPKDHW-ZDUSSCGKSA-N 1 1 315.417 3.609 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812847418 1027443105 /nfs/dbraw/zinc/44/31/05/1027443105.db2.gz DBBWHUUMZHIVOW-FOIQADDNSA-N 1 1 324.424 3.511 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000574946537 1027443842 /nfs/dbraw/zinc/44/38/42/1027443842.db2.gz LNKFFGKJXFNRRR-HSALFYBXSA-N 1 1 311.473 3.571 20 30 DHEDMO CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000423233620 1027469477 /nfs/dbraw/zinc/46/94/77/1027469477.db2.gz DVUULKSVAMXCPC-NHCUHLMSSA-N 1 1 319.452 3.959 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H]([NH3+])c1ccccc1 ZINC000423247887 1027474723 /nfs/dbraw/zinc/47/47/23/1027474723.db2.gz LYDJDVZXGWARDX-WOJBJXKFSA-N 1 1 305.425 3.615 20 30 DHEDMO C#CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C(C)C ZINC000932396354 1027477692 /nfs/dbraw/zinc/47/76/92/1027477692.db2.gz QCKYLBMEZYLBNJ-UHFFFAOYSA-N 1 1 313.228 3.666 20 30 DHEDMO C#CC[N@H+](CCCC(=O)Nc1c(C)cccc1C)C(C)(C)C ZINC000932465879 1027503687 /nfs/dbraw/zinc/50/36/87/1027503687.db2.gz OUPRFMURXJLMET-UHFFFAOYSA-N 1 1 300.446 3.756 20 30 DHEDMO C#CC[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C(C)(C)C ZINC000932465136 1027504448 /nfs/dbraw/zinc/50/44/48/1027504448.db2.gz XHSFBEVYSNKTPY-UHFFFAOYSA-N 1 1 312.457 3.546 20 30 DHEDMO N#CCC[C@H](Nc1nc(N2CCCC2)cc[nH+]1)c1ccccc1 ZINC000747842419 1027567490 /nfs/dbraw/zinc/56/74/90/1027567490.db2.gz HRKHNCYRHPWUSY-INIZCTEOSA-N 1 1 307.401 3.534 20 30 DHEDMO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(F)(C2CC2)CC1 ZINC000932630947 1027570473 /nfs/dbraw/zinc/57/04/73/1027570473.db2.gz RXUWQTLTRWISJZ-UHFFFAOYSA-N 1 1 322.811 3.956 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccncc2)c2ccc(F)cc2)cc1 ZINC000363393122 1027618407 /nfs/dbraw/zinc/61/84/07/1027618407.db2.gz NEMFLIYZMSYDEF-HXUWFJFHSA-N 1 1 317.367 3.972 20 30 DHEDMO N#CCCCC[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000363505160 1027655769 /nfs/dbraw/zinc/65/57/69/1027655769.db2.gz UPUFSHFRXQSCDH-CYBMUJFWSA-N 1 1 301.365 3.840 20 30 DHEDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(C)c3)C2)n1 ZINC000933124951 1027681100 /nfs/dbraw/zinc/68/11/00/1027681100.db2.gz BWDCHCQCNKQHIG-INIZCTEOSA-N 1 1 311.454 3.696 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000576987553 1027689810 /nfs/dbraw/zinc/68/98/10/1027689810.db2.gz SMVQDYWSRXQKRX-AWEZNQCLSA-N 1 1 319.405 3.600 20 30 DHEDMO C=CCN1c2ccccc2[C@]2(CC[N@H+](CCC/C=C\CC)C2)C1=O ZINC001275845528 1027702941 /nfs/dbraw/zinc/70/29/41/1027702941.db2.gz YBASZFPSFIIEKQ-QEVIJRNUSA-N 1 1 324.468 3.909 20 30 DHEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1CCC(C)=C[C@H]1C ZINC001275852624 1027725328 /nfs/dbraw/zinc/72/53/28/1027725328.db2.gz JRYMLGNPYLVQHY-FCGDIQPGSA-N 1 1 316.489 3.620 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@@H]1CCC(C)=C[C@@H]1C ZINC001275851096 1027729855 /nfs/dbraw/zinc/72/98/55/1027729855.db2.gz FFNLVVKCRDMJAC-BJLQDIEVSA-N 1 1 316.489 3.622 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+]2C[C@H]2CCC(C)=C[C@H]2C)C1=O ZINC001275854692 1027734782 /nfs/dbraw/zinc/73/47/82/1027734782.db2.gz QLGOVQYVLVZFEQ-QWFCFKBJSA-N 1 1 316.489 3.622 20 30 DHEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000933456797 1027738735 /nfs/dbraw/zinc/73/87/35/1027738735.db2.gz NNDYJVXQVSLOHX-RVKKMQEKSA-N 1 1 320.502 3.850 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000778995947 1027746977 /nfs/dbraw/zinc/74/69/77/1027746977.db2.gz GJLFPMDUABBNID-UHFFFAOYSA-N 1 1 304.321 3.558 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000778995947 1027746995 /nfs/dbraw/zinc/74/69/95/1027746995.db2.gz GJLFPMDUABBNID-UHFFFAOYSA-N 1 1 304.321 3.558 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@@H](C)C[NH+](C)C)cc1 ZINC000813878180 1027748242 /nfs/dbraw/zinc/74/82/42/1027748242.db2.gz LEOHQYGGINFWQI-HIFRSBDPSA-N 1 1 310.869 3.666 20 30 DHEDMO CC(C)(C)c1nnc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)o1 ZINC000933613840 1027777157 /nfs/dbraw/zinc/77/71/57/1027777157.db2.gz CYKVGQSKVNRZAL-UHFFFAOYSA-N 1 1 324.428 3.618 20 30 DHEDMO CSc1ccccc1C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933628487 1027780735 /nfs/dbraw/zinc/78/07/35/1027780735.db2.gz KIABOLWXHZJIOX-SFHVURJKSA-N 1 1 324.449 3.854 20 30 DHEDMO CSc1ccccc1C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933628487 1027780755 /nfs/dbraw/zinc/78/07/55/1027780755.db2.gz KIABOLWXHZJIOX-SFHVURJKSA-N 1 1 324.449 3.854 20 30 DHEDMO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC[C@H](C)CC(C)(C)C ZINC001275879953 1027799291 /nfs/dbraw/zinc/79/92/91/1027799291.db2.gz JHFXLRAAMBCQPF-FXAWDEMLSA-N 1 1 318.505 3.539 20 30 DHEDMO C=CCN1CC[C@@]2(CC[N@H+](CC[C@@H](C)CC(C)(C)C)C2)C1=O ZINC001275880684 1027802588 /nfs/dbraw/zinc/80/25/88/1027802588.db2.gz PHMNNMLIUMIVBY-VQIMIIECSA-N 1 1 306.494 3.559 20 30 DHEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC1CCCC1 ZINC001275899488 1027813996 /nfs/dbraw/zinc/81/39/96/1027813996.db2.gz ARIQGJNKPAMLMF-IBGZPJMESA-N 1 1 304.478 3.600 20 30 DHEDMO Cc1cc(C)c(C[S@@](=O)CCCCC(C)(C)C#N)c(C)[nH+]1 ZINC000600935285 1027913271 /nfs/dbraw/zinc/91/32/71/1027913271.db2.gz IWYSCVQPLRHCHE-NRFANRHFSA-N 1 1 306.475 3.976 20 30 DHEDMO CCc1nccn1[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000365443292 1027948542 /nfs/dbraw/zinc/94/85/42/1027948542.db2.gz NUXXWJJMZHARSR-MRXNPFEDSA-N 1 1 302.466 3.802 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2CCCCC(C)(C)C#N)nc1 ZINC000934343468 1027975523 /nfs/dbraw/zinc/97/55/23/1027975523.db2.gz LIABPQDGSACROK-KRWDZBQOSA-N 1 1 301.434 3.947 20 30 DHEDMO CC[C@@H](C)[C@@H](C)[N@@H+](CCOc1ccc(C#N)cc1OC)C1CC1 ZINC000577906335 1027984809 /nfs/dbraw/zinc/98/48/09/1027984809.db2.gz HBYRDDSOEGWQBV-HUUCEWRRSA-N 1 1 316.445 3.845 20 30 DHEDMO C=CC[C@@H]1CC[N@H+]1Cc1nc2cc(Br)ccc2o1 ZINC000934465942 1028011990 /nfs/dbraw/zinc/01/19/90/1028011990.db2.gz WHERUXGEUIVAER-LLVKDONJSA-N 1 1 307.191 3.741 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nc2cc(Br)ccc2o1 ZINC000934465942 1028012010 /nfs/dbraw/zinc/01/20/10/1028012010.db2.gz WHERUXGEUIVAER-LLVKDONJSA-N 1 1 307.191 3.741 20 30 DHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1C[C@@H]2CCCCCC[C@@H]21 ZINC000366248784 1028070007 /nfs/dbraw/zinc/07/00/07/1028070007.db2.gz TZSJMZLZXOUDCC-WMZOPIPTSA-N 1 1 311.429 3.541 20 30 DHEDMO C[C@H]1c2ccc(Cl)n2CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000366306115 1028075920 /nfs/dbraw/zinc/07/59/20/1028075920.db2.gz CFJGXHDZYGSUMH-AWEZNQCLSA-N 1 1 321.852 3.619 20 30 DHEDMO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000366306115 1028075938 /nfs/dbraw/zinc/07/59/38/1028075938.db2.gz CFJGXHDZYGSUMH-AWEZNQCLSA-N 1 1 321.852 3.619 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814672278 1028159603 /nfs/dbraw/zinc/15/96/03/1028159603.db2.gz BPXQANDAPSOOKG-SJORKVTESA-N 1 1 322.493 3.922 20 30 DHEDMO Cc1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cs1 ZINC000449015121 1028243726 /nfs/dbraw/zinc/24/37/26/1028243726.db2.gz SBOOKARTCWWVAI-UHFFFAOYSA-N 1 1 311.454 3.641 20 30 DHEDMO CCCCCC[C@H](C)NN=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000814859277 1028247367 /nfs/dbraw/zinc/24/73/67/1028247367.db2.gz QZXMKLRDDXIOHV-RYQLBKOJSA-N 1 1 309.498 3.564 20 30 DHEDMO COc1cc(F)cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000449008464 1028257636 /nfs/dbraw/zinc/25/76/36/1028257636.db2.gz DQCXNMIZWBYCLU-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO Clc1ccccc1CC(=NNc1cc[nH+]cc1)c1ccoc1 ZINC000814900394 1028267451 /nfs/dbraw/zinc/26/74/51/1028267451.db2.gz RCXKMZSLHVXBAE-UHFFFAOYSA-N 1 1 311.772 3.809 20 30 DHEDMO CCc1cccc(C)c1N[NH+]=C(C)c1cc([N+](=O)[O-])ccc1N ZINC000814923270 1028283872 /nfs/dbraw/zinc/28/38/72/1028283872.db2.gz NYIQFOLCTFRFCO-UHFFFAOYSA-N 1 1 312.373 3.884 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000368270255 1028328729 /nfs/dbraw/zinc/32/87/29/1028328729.db2.gz UQVODSCKYQHCAX-QRVBRYPASA-N 1 1 316.420 3.603 20 30 DHEDMO C#CCNC(=O)CC[N@H+]([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000815035421 1028338727 /nfs/dbraw/zinc/33/87/27/1028338727.db2.gz LERKYSSVXIXQEE-MRXNPFEDSA-N 1 1 320.436 3.505 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](CNCc1cc2cccnc2o1)C(C)C ZINC000449073578 1028338847 /nfs/dbraw/zinc/33/88/47/1028338847.db2.gz JKLPKFOPOFBYQZ-GOSISDBHSA-N 1 1 313.445 3.616 20 30 DHEDMO CC[N@@H+](Cc1cc(CO)ccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000528359815 1028343357 /nfs/dbraw/zinc/34/33/57/1028343357.db2.gz SQCYUYIRXZNHOM-AWEZNQCLSA-N 1 1 312.388 3.773 20 30 DHEDMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000368439079 1028356259 /nfs/dbraw/zinc/35/62/59/1028356259.db2.gz QKSREOPTACSERY-MRXNPFEDSA-N 1 1 302.466 3.894 20 30 DHEDMO C=C(C)CN1CCC([NH2+]Cc2ccccc2OCC(C)C)CC1 ZINC000449123748 1028378843 /nfs/dbraw/zinc/37/88/43/1028378843.db2.gz OPYXQKZOYBSIDZ-UHFFFAOYSA-N 1 1 316.489 3.852 20 30 DHEDMO COCC[N@@H+](CC(C)(C)CCC#N)[C@H]1CCCc2cccnc21 ZINC000369016001 1028435789 /nfs/dbraw/zinc/43/57/89/1028435789.db2.gz CXWFCGMBSMGLHL-KRWDZBQOSA-N 1 1 315.461 3.737 20 30 DHEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000369748018 1028527254 /nfs/dbraw/zinc/52/72/54/1028527254.db2.gz CSCQABZURZCFOU-UHFFFAOYSA-N 1 1 309.388 3.547 20 30 DHEDMO C=CCCCC[C@H](C)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000449334593 1028568260 /nfs/dbraw/zinc/56/82/60/1028568260.db2.gz FPVDETAHKCHYSX-QFBILLFUSA-N 1 1 302.462 3.800 20 30 DHEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2c(F)cc(F)cc2F)cc1 ZINC000815649177 1028596100 /nfs/dbraw/zinc/59/61/00/1028596100.db2.gz JBHSUXGJOJWBRF-LBPRGKRZSA-N 1 1 319.326 3.967 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000370488773 1028610066 /nfs/dbraw/zinc/61/00/66/1028610066.db2.gz SKPZGMJPNQQWCW-ICSRJNTNSA-N 1 1 310.441 3.738 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000370504734 1028610466 /nfs/dbraw/zinc/61/04/66/1028610466.db2.gz LNKIOQHDQHSVPD-PKOBYXMFSA-N 1 1 314.404 3.569 20 30 DHEDMO C=CCC(F)(F)C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000815847436 1028638343 /nfs/dbraw/zinc/63/83/43/1028638343.db2.gz OABMJNNXFSOWTG-UHFFFAOYSA-N 1 1 308.372 3.808 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](OC)CC2)ccc1OC ZINC000370710476 1028639446 /nfs/dbraw/zinc/63/94/46/1028639446.db2.gz UCPVUUTUPURFFL-QGZVFWFLSA-N 1 1 319.445 3.651 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](SC)C2)ccc1OC ZINC000449445736 1028649318 /nfs/dbraw/zinc/64/93/18/1028649318.db2.gz LAZWSSZJHIBIPK-HNNXBMFYSA-N 1 1 307.459 3.587 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000449454610 1028657716 /nfs/dbraw/zinc/65/77/16/1028657716.db2.gz PELPZFQBBSTOPK-ZCNNSNEGSA-N 1 1 315.457 3.767 20 30 DHEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000565978512 1028662500 /nfs/dbraw/zinc/66/25/00/1028662500.db2.gz RJGWWSVIMMAHHA-KSVNGYGVSA-N 1 1 311.473 3.502 20 30 DHEDMO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000565978512 1028662512 /nfs/dbraw/zinc/66/25/12/1028662512.db2.gz RJGWWSVIMMAHHA-KSVNGYGVSA-N 1 1 311.473 3.502 20 30 DHEDMO C[C@H](/N=C/c1ccccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778518494 1028682965 /nfs/dbraw/zinc/68/29/65/1028682965.db2.gz QFLRVXMJNQKATB-DBLWUSGISA-N 1 1 308.425 3.722 20 30 DHEDMO Cc1ccccc1CN1CCC[N@@H+](CC(C)(C)CCC#N)CC1 ZINC000371393117 1028700611 /nfs/dbraw/zinc/70/06/11/1028700611.db2.gz XUIIFYVEAMLNEV-UHFFFAOYSA-N 1 1 313.489 3.833 20 30 DHEDMO Cc1ccccc1C[N@@H+]1CCCN(CC(C)(C)CCC#N)CC1 ZINC000371393117 1028700621 /nfs/dbraw/zinc/70/06/21/1028700621.db2.gz XUIIFYVEAMLNEV-UHFFFAOYSA-N 1 1 313.489 3.833 20 30 DHEDMO Cc1ccccc1C[N@H+]1CCCN(CC(C)(C)CCC#N)CC1 ZINC000371393117 1028700633 /nfs/dbraw/zinc/70/06/33/1028700633.db2.gz XUIIFYVEAMLNEV-UHFFFAOYSA-N 1 1 313.489 3.833 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000076736010 1028702279 /nfs/dbraw/zinc/70/22/79/1028702279.db2.gz ABMVYNLVLCLTAM-LBPRGKRZSA-N 1 1 312.360 3.513 20 30 DHEDMO CCO[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@H]1C ZINC000449497782 1028709819 /nfs/dbraw/zinc/70/98/19/1028709819.db2.gz RQLPJSFGWDBSFN-APWZRJJASA-N 1 1 316.445 3.616 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)cc1Cl ZINC000449500656 1028716848 /nfs/dbraw/zinc/71/68/48/1028716848.db2.gz NCMRCFMDZMKWCX-CZUORRHYSA-N 1 1 309.837 3.762 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449503614 1028726155 /nfs/dbraw/zinc/72/61/55/1028726155.db2.gz ULFNUXHNLSGYAV-GOSISDBHSA-N 1 1 321.380 3.846 20 30 DHEDMO CCCc1ncc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)o1 ZINC000449610089 1028840618 /nfs/dbraw/zinc/84/06/18/1028840618.db2.gz FCTWNKXILVZSHO-UHFFFAOYSA-N 1 1 323.318 3.807 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077381690 1028847409 /nfs/dbraw/zinc/84/74/09/1028847409.db2.gz QTFFJNBHSJPYTO-KRWDZBQOSA-N 1 1 306.365 3.624 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077381690 1028847416 /nfs/dbraw/zinc/84/74/16/1028847416.db2.gz QTFFJNBHSJPYTO-KRWDZBQOSA-N 1 1 306.365 3.624 20 30 DHEDMO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1F ZINC000567278684 1028868366 /nfs/dbraw/zinc/86/83/66/1028868366.db2.gz GDWSSMFCEIEJQI-OAVHHTNSSA-N 1 1 316.351 3.609 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cn1ccc(-c2ccccc2)n1 ZINC000778584480 1028877914 /nfs/dbraw/zinc/87/79/14/1028877914.db2.gz FEOFYOXBQSLNIP-UHFFFAOYSA-N 1 1 307.397 3.831 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cn1ccc(-c2ccccc2)n1 ZINC000778584480 1028877931 /nfs/dbraw/zinc/87/79/31/1028877931.db2.gz FEOFYOXBQSLNIP-UHFFFAOYSA-N 1 1 307.397 3.831 20 30 DHEDMO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000372678895 1028883082 /nfs/dbraw/zinc/88/30/82/1028883082.db2.gz FHEVKKPBOPBYIW-ZWKOTPCHSA-N 1 1 305.510 3.903 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000372678895 1028883098 /nfs/dbraw/zinc/88/30/98/1028883098.db2.gz FHEVKKPBOPBYIW-ZWKOTPCHSA-N 1 1 305.510 3.903 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000372746406 1028889847 /nfs/dbraw/zinc/88/98/47/1028889847.db2.gz LXJYXDIGDPNGSX-SFHVURJKSA-N 1 1 322.456 3.739 20 30 DHEDMO CC[C@@H](C(=O)[C@H](C#N)c1ccc2ccccc2n1)[NH+](CC)CC ZINC000778599558 1028936002 /nfs/dbraw/zinc/93/60/02/1028936002.db2.gz PKGYZXDHBUPJFZ-QAPCUYQASA-N 1 1 309.413 3.531 20 30 DHEDMO CCC(C#N)(CC)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000528965999 1028964958 /nfs/dbraw/zinc/96/49/58/1028964958.db2.gz UHJDXTOMSPWKHX-UHFFFAOYSA-N 1 1 313.445 3.592 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)[C@H]1C ZINC000816647779 1028975733 /nfs/dbraw/zinc/97/57/33/1028975733.db2.gz YAYDEQNEWCLTFL-CVEARBPZSA-N 1 1 306.409 3.977 20 30 DHEDMO C[C@H]([NH2+]Cc1ccccc1CO)c1ccc(C#N)cc1Cl ZINC000568007872 1028993548 /nfs/dbraw/zinc/99/35/48/1028993548.db2.gz QBTLTSLOWFWYCG-LBPRGKRZSA-N 1 1 300.789 3.555 20 30 DHEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1c1ccc(CNC(C)=O)o1 ZINC000373294094 1029000613 /nfs/dbraw/zinc/00/06/13/1029000613.db2.gz QTRXNOXSZGHSPQ-QGZVFWFLSA-N 1 1 304.434 3.799 20 30 DHEDMO C=CC[N@H+](CCCC(=O)NCCC)Cc1ccc(Cl)s1 ZINC000411131601 1029039925 /nfs/dbraw/zinc/03/99/25/1029039925.db2.gz ICLVRLDGRHLLFA-UHFFFAOYSA-N 1 1 314.882 3.696 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000628405022 1029043684 /nfs/dbraw/zinc/04/36/84/1029043684.db2.gz BGXHWJTVPXKPMH-ZDUSSCGKSA-N 1 1 307.459 3.824 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000411164837 1029049865 /nfs/dbraw/zinc/04/98/65/1029049865.db2.gz NEMNDPSAWSEUOT-OAHLLOKOSA-N 1 1 300.446 3.812 20 30 DHEDMO Cn1cc(C[N@@H+](CC2CC2)C2CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000373507395 1029066812 /nfs/dbraw/zinc/06/68/12/1029066812.db2.gz HURGEMZSSYGTFR-UHFFFAOYSA-N 1 1 320.440 3.723 20 30 DHEDMO C=CCC1(C(=O)N2CCC[N@H+](C3CCCC3)CC2)CCCC1 ZINC000449917336 1029082150 /nfs/dbraw/zinc/08/21/50/1029082150.db2.gz ZVFYLSKPYYJAQY-UHFFFAOYSA-N 1 1 304.478 3.600 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000568529341 1029086759 /nfs/dbraw/zinc/08/67/59/1029086759.db2.gz HUKNIXWQEOCYBL-OAHLLOKOSA-N 1 1 300.446 3.819 20 30 DHEDMO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411314874 1029096921 /nfs/dbraw/zinc/09/69/21/1029096921.db2.gz SAVMRKIQAISTRG-KDOFPFPSSA-N 1 1 321.415 3.726 20 30 DHEDMO N#CC1(CCN2CCC[C@H]([NH+]3CCCC3)CC2)CCCCC1 ZINC000411297548 1029099486 /nfs/dbraw/zinc/09/94/86/1029099486.db2.gz UIHGXJAYTBYQEV-SFHVURJKSA-N 1 1 303.494 3.801 20 30 DHEDMO C[C@H]([NH2+]CCC1(C#N)CCCCC1)c1cn(-c2ccccc2)nn1 ZINC000411539109 1029156208 /nfs/dbraw/zinc/15/62/08/1029156208.db2.gz VIFDIGGWZGCLKZ-INIZCTEOSA-N 1 1 323.444 3.782 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000163311085 1029169065 /nfs/dbraw/zinc/16/90/65/1029169065.db2.gz QQPUYCQSDJKXCV-HOTGVXAUSA-N 1 1 322.880 3.810 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000163311085 1029169071 /nfs/dbraw/zinc/16/90/71/1029169071.db2.gz QQPUYCQSDJKXCV-HOTGVXAUSA-N 1 1 322.880 3.810 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc(C)sc2C)C1=O ZINC001276172504 1029172089 /nfs/dbraw/zinc/17/20/89/1029172089.db2.gz RRGJUKYDTXGLKW-GOSISDBHSA-N 1 1 318.486 3.508 20 30 DHEDMO C[N@@H+](CCCCC#N)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000374055242 1029195151 /nfs/dbraw/zinc/19/51/51/1029195151.db2.gz SKAUMUQHXLTESL-KRWDZBQOSA-N 1 1 314.820 3.845 20 30 DHEDMO N#Cc1ccc(-c2cnc(C[N@H+]3CC[C@H]4CCCC[C@H]43)o2)cc1 ZINC000374160971 1029221344 /nfs/dbraw/zinc/22/13/44/1029221344.db2.gz JHGUWXWWYCLKQL-NVXWUHKLSA-N 1 1 307.397 3.978 20 30 DHEDMO Cc1cnc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)s1 ZINC000374230988 1029245756 /nfs/dbraw/zinc/24/57/56/1029245756.db2.gz SYWSUOBLFOIRCT-CQSZACIVSA-N 1 1 315.417 3.842 20 30 DHEDMO Cc1cnc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)s1 ZINC000374230988 1029245772 /nfs/dbraw/zinc/24/57/72/1029245772.db2.gz SYWSUOBLFOIRCT-CQSZACIVSA-N 1 1 315.417 3.842 20 30 DHEDMO Cn1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1C#N ZINC000569769447 1029263771 /nfs/dbraw/zinc/26/37/71/1029263771.db2.gz WCZRLRHMNNHISZ-VAMGGRTRSA-N 1 1 305.425 3.665 20 30 DHEDMO CC(C)(C)n1cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000374286381 1029271606 /nfs/dbraw/zinc/27/16/06/1029271606.db2.gz XTQBXYLPHIVEBW-UHFFFAOYSA-N 1 1 320.440 3.799 20 30 DHEDMO CC(C)(C)n1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000374286381 1029271613 /nfs/dbraw/zinc/27/16/13/1029271613.db2.gz XTQBXYLPHIVEBW-UHFFFAOYSA-N 1 1 320.440 3.799 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000374285049 1029272376 /nfs/dbraw/zinc/27/23/76/1029272376.db2.gz RMBIUIBINZDRJX-UHFFFAOYSA-N 1 1 305.406 3.781 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000374285049 1029272396 /nfs/dbraw/zinc/27/23/96/1029272396.db2.gz RMBIUIBINZDRJX-UHFFFAOYSA-N 1 1 305.406 3.781 20 30 DHEDMO Cc1cc(F)cc([C@]2(F)CC[N@H+](CCCSCC#N)C2)c1 ZINC000374294062 1029276058 /nfs/dbraw/zinc/27/60/58/1029276058.db2.gz RAZRVNLEZIACRT-INIZCTEOSA-N 1 1 310.413 3.652 20 30 DHEDMO Cc1cc(F)cc([C@]2(F)CC[N@@H+](CCCSCC#N)C2)c1 ZINC000374294062 1029276067 /nfs/dbraw/zinc/27/60/67/1029276067.db2.gz RAZRVNLEZIACRT-INIZCTEOSA-N 1 1 310.413 3.652 20 30 DHEDMO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cc(C#N)ccc1F)CC2 ZINC000374353776 1029311195 /nfs/dbraw/zinc/31/11/95/1029311195.db2.gz SINRERVQTGGUDY-UHFFFAOYSA-N 1 1 322.383 3.501 20 30 DHEDMO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1cc(C#N)ccc1F)CC2 ZINC000374353776 1029311207 /nfs/dbraw/zinc/31/12/07/1029311207.db2.gz SINRERVQTGGUDY-UHFFFAOYSA-N 1 1 322.383 3.501 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccn(CC(F)(F)F)n1 ZINC000450302099 1029335883 /nfs/dbraw/zinc/33/58/83/1029335883.db2.gz WUHHGCBNUCXVSO-UHFFFAOYSA-N 1 1 323.362 3.676 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccn(CC(F)(F)F)n1 ZINC000450302099 1029335898 /nfs/dbraw/zinc/33/58/98/1029335898.db2.gz WUHHGCBNUCXVSO-UHFFFAOYSA-N 1 1 323.362 3.676 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCc3ccc(Br)cc3C2)C1 ZINC001170887082 1029337083 /nfs/dbraw/zinc/33/70/83/1029337083.db2.gz SWVAICOLKWQYIX-DYVFJYSZSA-N 1 1 318.258 3.652 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000374562337 1029385418 /nfs/dbraw/zinc/38/54/18/1029385418.db2.gz PKTFRXFUWZAKCN-FQEVSTJZSA-N 1 1 314.473 3.733 20 30 DHEDMO C[C@H]1C[C@H](N(C)CC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000450477524 1029502452 /nfs/dbraw/zinc/50/24/52/1029502452.db2.gz WRNRVDGFGPGDNB-PKOBYXMFSA-N 1 1 311.473 3.665 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170935957 1029603984 /nfs/dbraw/zinc/60/39/84/1029603984.db2.gz WDOHLBYHRCUXKM-DMRZNYOFSA-N 1 1 300.833 3.964 20 30 DHEDMO CCC(=[NH+]N[C@@H](C)c1ccncc1)c1ccc(Cl)c(N)c1 ZINC000819818590 1029614087 /nfs/dbraw/zinc/61/40/87/1029614087.db2.gz NWBAMHZNYFVAJE-NSHDSACASA-N 1 1 302.809 3.782 20 30 DHEDMO C=CC1(CC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CCCCC1 ZINC001136394571 1029789319 /nfs/dbraw/zinc/78/93/19/1029789319.db2.gz OCQOPBXLIMGUEN-IAGOWNOFSA-N 1 1 306.494 3.750 20 30 DHEDMO CN(C)c1[nH+]cc(/C=C\C(=O)c2ccc3ccccc3c2)n1C ZINC000821022270 1029800247 /nfs/dbraw/zinc/80/02/47/1029800247.db2.gz QDOFIKANOVRTLG-KHPPLWFESA-N 1 1 305.381 3.535 20 30 DHEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC(C)(C)CO ZINC000451252900 1029831641 /nfs/dbraw/zinc/83/16/41/1029831641.db2.gz ZXZIGIMADKAGRP-UHFFFAOYSA-N 1 1 308.425 3.676 20 30 DHEDMO C[N@@H+](Cc1ccc(CC#N)cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000451338644 1029851931 /nfs/dbraw/zinc/85/19/31/1029851931.db2.gz ZBMMVJIWEDHPTL-GOSISDBHSA-N 1 1 314.816 3.571 20 30 DHEDMO CC[N@@H+](Cc1cccc(C#N)c1)[C@H](COC)Cc1ccccc1 ZINC000530627129 1029934305 /nfs/dbraw/zinc/93/43/05/1029934305.db2.gz HJVCRYADIHIOGX-FQEVSTJZSA-N 1 1 308.425 3.638 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000304308321 1029939798 /nfs/dbraw/zinc/93/97/98/1029939798.db2.gz KVULUYIYDBKNSJ-VAMGGRTRSA-N 1 1 324.399 3.631 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000304308321 1029939817 /nfs/dbraw/zinc/93/98/17/1029939817.db2.gz KVULUYIYDBKNSJ-VAMGGRTRSA-N 1 1 324.399 3.631 20 30 DHEDMO COc1ccc2c(c1)C[N@H+]([C@@H](C)c1cccc(C#N)c1)CCO2 ZINC000451650064 1029954969 /nfs/dbraw/zinc/95/49/69/1029954969.db2.gz UFQSXEPNEAUAHL-AWEZNQCLSA-N 1 1 308.381 3.522 20 30 DHEDMO COc1ccc2c(c1)C[N@@H+]([C@@H](C)c1cccc(C#N)c1)CCO2 ZINC000451650064 1029954983 /nfs/dbraw/zinc/95/49/83/1029954983.db2.gz UFQSXEPNEAUAHL-AWEZNQCLSA-N 1 1 308.381 3.522 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000822525636 1030044808 /nfs/dbraw/zinc/04/48/08/1030044808.db2.gz KSGZHDXPGUQKDL-AWEZNQCLSA-N 1 1 311.404 3.956 20 30 DHEDMO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1cc(C)ccc1C ZINC000794877895 1030089836 /nfs/dbraw/zinc/08/98/36/1030089836.db2.gz MGEYFXKEYJLDAR-UHFFFAOYSA-N 1 1 319.412 3.826 20 30 DHEDMO CCC(C)(C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000357737873 1030170772 /nfs/dbraw/zinc/17/07/72/1030170772.db2.gz LNPZZUPVPJWIRJ-UHFFFAOYSA-N 1 1 307.825 3.661 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000533278928 1030236697 /nfs/dbraw/zinc/23/66/97/1030236697.db2.gz FAZNQHKXRPAOAI-UHFFFAOYSA-N 1 1 306.475 3.881 20 30 DHEDMO C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cccc(C#N)c1O ZINC000866344874 1030242662 /nfs/dbraw/zinc/24/26/62/1030242662.db2.gz ATHMPAUDPUFLKV-BDJLRTHQSA-N 1 1 312.344 3.577 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000533288833 1030247992 /nfs/dbraw/zinc/24/79/92/1030247992.db2.gz DIIOFSSXEQSADY-ZDUSSCGKSA-N 1 1 310.388 3.970 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000533290217 1030248448 /nfs/dbraw/zinc/24/84/48/1030248448.db2.gz UMTHBAOIUWUKBW-HNNXBMFYSA-N 1 1 306.425 3.509 20 30 DHEDMO C=CC[N@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000777544165 1030260668 /nfs/dbraw/zinc/26/06/68/1030260668.db2.gz FQSHTXBPIDTGRW-UHFFFAOYSA-N 1 1 306.203 3.926 20 30 DHEDMO CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026323816 1030288222 /nfs/dbraw/zinc/28/82/22/1030288222.db2.gz RZCUQXVQBFZZLK-OAHLLOKOSA-N 1 1 321.424 3.580 20 30 DHEDMO CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026323816 1030288232 /nfs/dbraw/zinc/28/82/32/1030288232.db2.gz RZCUQXVQBFZZLK-OAHLLOKOSA-N 1 1 321.424 3.580 20 30 DHEDMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026327908 1030306601 /nfs/dbraw/zinc/30/66/01/1030306601.db2.gz BIQKROJBGVBDDO-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026327908 1030306617 /nfs/dbraw/zinc/30/66/17/1030306617.db2.gz BIQKROJBGVBDDO-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccc(F)cc1F ZINC000823616833 1030343150 /nfs/dbraw/zinc/34/31/50/1030343150.db2.gz CDMHICNHLOEUJP-KZULUSFZSA-N 1 1 316.351 3.563 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000533437381 1030354544 /nfs/dbraw/zinc/35/45/44/1030354544.db2.gz HCPIUQXMJKLEDC-QGZVFWFLSA-N 1 1 304.409 3.528 20 30 DHEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccnn1CC1CCC1 ZINC000925472313 1030372420 /nfs/dbraw/zinc/37/24/20/1030372420.db2.gz DIUBAUIHQJFEDI-ZDUSSCGKSA-N 1 1 312.392 3.545 20 30 DHEDMO C=C(C)COCC[NH2+][C@@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000925531153 1030386961 /nfs/dbraw/zinc/38/69/61/1030386961.db2.gz INIAOFNFLARVPD-JTQLQIEISA-N 1 1 322.758 3.997 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1C#N ZINC000533538497 1030414735 /nfs/dbraw/zinc/41/47/35/1030414735.db2.gz ZRKABQUTFSZMFC-KRWDZBQOSA-N 1 1 324.399 3.771 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(OC)c(C#N)c1 ZINC000533538512 1030418527 /nfs/dbraw/zinc/41/85/27/1030418527.db2.gz IKWYEQRSPGSEQM-UHFFFAOYSA-N 1 1 322.408 3.764 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1ncccc1F ZINC000794983353 1030509057 /nfs/dbraw/zinc/50/90/57/1030509057.db2.gz GLQCZKBMPMRSTM-CQSZACIVSA-N 1 1 312.392 3.531 20 30 DHEDMO CC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000558469696 1030590137 /nfs/dbraw/zinc/59/01/37/1030590137.db2.gz DMOAVXZUVACHHL-QGZVFWFLSA-N 1 1 305.849 3.971 20 30 DHEDMO CCC[N@@H+](CCCO[C@@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC000358809474 1030636772 /nfs/dbraw/zinc/63/67/72/1030636772.db2.gz UCUMCHOAZLYAQH-LJQANCHMSA-N 1 1 316.445 3.704 20 30 DHEDMO COc1ccc([C@@H](C)[NH2+]CC(C)(C)C#N)cc1Br ZINC000122319930 1030646666 /nfs/dbraw/zinc/64/66/66/1030646666.db2.gz UHRGPOHGCOITPF-SNVBAGLBSA-N 1 1 311.223 3.658 20 30 DHEDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000247244901 1030682469 /nfs/dbraw/zinc/68/24/69/1030682469.db2.gz WYCIHTPMNDNKTF-RHSMWYFYSA-N 1 1 304.459 3.695 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(F)c(F)c1 ZINC000358990236 1030714363 /nfs/dbraw/zinc/71/43/63/1030714363.db2.gz OIHHJLBDRGFEJS-SJLPKXTDSA-N 1 1 317.383 3.983 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cc3ccccc3o2)C1=O ZINC001275641560 1030860619 /nfs/dbraw/zinc/86/06/19/1030860619.db2.gz MYDOFBSYIYZUHO-HXUWFJFHSA-N 1 1 324.424 3.576 20 30 DHEDMO COc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)cc1C(F)(F)F ZINC001143644505 1030877561 /nfs/dbraw/zinc/87/75/61/1030877561.db2.gz GOERYERBQKMUDN-LBPRGKRZSA-N 1 1 312.335 3.840 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)cc1C(F)(F)F ZINC001143644505 1030877584 /nfs/dbraw/zinc/87/75/84/1030877584.db2.gz GOERYERBQKMUDN-LBPRGKRZSA-N 1 1 312.335 3.840 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3F)C2)cc1 ZINC000558863589 1030879281 /nfs/dbraw/zinc/87/92/81/1030879281.db2.gz AJSGKTBWHFPYNU-IBGZPJMESA-N 1 1 312.363 3.962 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)cc1 ZINC000558863589 1030879294 /nfs/dbraw/zinc/87/92/94/1030879294.db2.gz AJSGKTBWHFPYNU-IBGZPJMESA-N 1 1 312.363 3.962 20 30 DHEDMO N#Cc1cccc(Cl)c1C[NH+]1CCC(c2cccnc2)CC1 ZINC001143731653 1030936187 /nfs/dbraw/zinc/93/61/87/1030936187.db2.gz ZUGRKGNUEGAAQC-UHFFFAOYSA-N 1 1 311.816 3.986 20 30 DHEDMO CCCCCCCC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000844050261 1030941547 /nfs/dbraw/zinc/94/15/47/1030941547.db2.gz ZHGHFKMUZDUAJR-MOPGFXCFSA-N 1 1 316.489 3.809 20 30 DHEDMO N#Cc1ccc(C[N@@H+](CCc2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000844279292 1031040907 /nfs/dbraw/zinc/04/09/07/1031040907.db2.gz BWTYURJVIDIWAL-UHFFFAOYSA-N 1 1 321.380 3.674 20 30 DHEDMO CC(C)(C)OC(=O)NCCCCCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000844317711 1031065724 /nfs/dbraw/zinc/06/57/24/1031065724.db2.gz JHFQWGCYJQAKPA-GOSISDBHSA-N 1 1 323.481 3.697 20 30 DHEDMO Cc1cc(Cl)ccc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371848 1031072564 /nfs/dbraw/zinc/07/25/64/1031072564.db2.gz RFFJYRKHKOTIDJ-GOSISDBHSA-N 1 1 314.816 3.686 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844372576 1031072683 /nfs/dbraw/zinc/07/26/83/1031072683.db2.gz AEBHYOIOSZEGHW-SFHVURJKSA-N 1 1 320.864 3.953 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000359858307 1031166642 /nfs/dbraw/zinc/16/66/42/1031166642.db2.gz RMUNJKISQRJIPR-QGZVFWFLSA-N 1 1 304.821 3.604 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000359858307 1031166648 /nfs/dbraw/zinc/16/66/48/1031166648.db2.gz RMUNJKISQRJIPR-QGZVFWFLSA-N 1 1 304.821 3.604 20 30 DHEDMO C=CCC(C)(C)C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001144061976 1031206827 /nfs/dbraw/zinc/20/68/27/1031206827.db2.gz OOIJXYRULLIDEX-SJORKVTESA-N 1 1 314.473 3.710 20 30 DHEDMO CC[C@H](C)Oc1cc(C[NH+]2CCC(C#N)CC2)ccc1OC ZINC000123682756 1031239863 /nfs/dbraw/zinc/23/98/63/1031239863.db2.gz UKXWQJRIHDPWPU-AWEZNQCLSA-N 1 1 302.418 3.608 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1nc(-c2cccs2)no1 ZINC000272317383 1031267802 /nfs/dbraw/zinc/26/78/02/1031267802.db2.gz SWWIOFVISHHLOJ-UHFFFAOYSA-N 1 1 315.398 3.622 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc(-c2cccs2)no1 ZINC000272317383 1031267814 /nfs/dbraw/zinc/26/78/14/1031267814.db2.gz SWWIOFVISHHLOJ-UHFFFAOYSA-N 1 1 315.398 3.622 20 30 DHEDMO COc1cccc([C@H]2CCCC[N@@H+]2Cc2ccc(C#N)cn2)c1 ZINC001144163028 1031297033 /nfs/dbraw/zinc/29/70/33/1031297033.db2.gz JANDACQGZQIFQE-LJQANCHMSA-N 1 1 307.397 3.689 20 30 DHEDMO COc1cccc([C@H]2CCCC[N@H+]2Cc2ccc(C#N)cn2)c1 ZINC001144163028 1031297053 /nfs/dbraw/zinc/29/70/53/1031297053.db2.gz JANDACQGZQIFQE-LJQANCHMSA-N 1 1 307.397 3.689 20 30 DHEDMO CC1(C)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]2CCC[C@@H]21 ZINC000293048315 1031303309 /nfs/dbraw/zinc/30/33/09/1031303309.db2.gz MPABYXSVFPKKKA-HOTGVXAUSA-N 1 1 322.412 3.619 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@H](OC(C)C)C2)c1O ZINC000844719397 1031303689 /nfs/dbraw/zinc/30/36/89/1031303689.db2.gz YTMOIBQUNPFBAR-KRWDZBQOSA-N 1 1 319.445 3.519 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@@H](OC(C)C)C2)c1O ZINC000844719398 1031304666 /nfs/dbraw/zinc/30/46/66/1031304666.db2.gz YTMOIBQUNPFBAR-QGZVFWFLSA-N 1 1 319.445 3.519 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CCc3ccccc3)C2)nc1 ZINC001144169575 1031306433 /nfs/dbraw/zinc/30/64/33/1031306433.db2.gz MQPFXKVLAYBGJW-GOSISDBHSA-N 1 1 305.425 3.798 20 30 DHEDMO CCCCCC[N@@H+](C)CC(=O)Nc1ccc(CCC#N)cc1 ZINC000928405077 1031312987 /nfs/dbraw/zinc/31/29/87/1031312987.db2.gz XNOMHRBCPYQCKM-UHFFFAOYSA-N 1 1 301.434 3.593 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1O ZINC000844755791 1031316099 /nfs/dbraw/zinc/31/60/99/1031316099.db2.gz HBOHWKXCEFJERL-KRWDZBQOSA-N 1 1 323.383 3.751 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]2CCCC[C@H]12 ZINC000360201420 1031322912 /nfs/dbraw/zinc/32/29/12/1031322912.db2.gz ZVUFMBJWVLHHKM-XYPHTWIQSA-N 1 1 322.412 3.619 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCS[C@@H](C)[C@H]2C)ccc1OC ZINC000536670561 1031381616 /nfs/dbraw/zinc/38/16/16/1031381616.db2.gz UESVQXYOCVPNHV-CABCVRRESA-N 1 1 321.486 3.976 20 30 DHEDMO C[N@H+](Cc1cncc(C#N)c1)Cc1ccccc1C(F)(F)F ZINC000929166094 1031450731 /nfs/dbraw/zinc/45/07/31/1031450731.db2.gz KOYNWAIXMNLXLZ-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1cncc(C#N)c1)Cc1ccccc1C(F)(F)F ZINC000929166094 1031450746 /nfs/dbraw/zinc/45/07/46/1031450746.db2.gz KOYNWAIXMNLXLZ-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO CCCCCCCCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000845161402 1031493575 /nfs/dbraw/zinc/49/35/75/1031493575.db2.gz QYVZOZTWBHJHAW-MRXNPFEDSA-N 1 1 305.466 3.621 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000537047992 1031497192 /nfs/dbraw/zinc/49/71/92/1031497192.db2.gz CUEYTWJUOROZIY-ZWKOTPCHSA-N 1 1 314.473 3.873 20 30 DHEDMO C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360663455 1031511633 /nfs/dbraw/zinc/51/16/33/1031511633.db2.gz JQVNHHANLGFWGK-GGPKGHCWSA-N 1 1 311.473 3.788 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000929490169 1031530676 /nfs/dbraw/zinc/53/06/76/1031530676.db2.gz XBWOAMAJNQBUPS-WTNGLUPJSA-N 1 1 320.383 3.668 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000929490169 1031530687 /nfs/dbraw/zinc/53/06/87/1031530687.db2.gz XBWOAMAJNQBUPS-WTNGLUPJSA-N 1 1 320.383 3.668 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)CC1 ZINC000929485930 1031532280 /nfs/dbraw/zinc/53/22/80/1031532280.db2.gz PSSAPNZPAORWIJ-JTTJXQCZSA-N 1 1 302.393 3.529 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)CC1 ZINC000929485930 1031532287 /nfs/dbraw/zinc/53/22/87/1031532287.db2.gz PSSAPNZPAORWIJ-JTTJXQCZSA-N 1 1 302.393 3.529 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2c(C)cc(C#N)cc2C)ccc1O ZINC000929526848 1031541937 /nfs/dbraw/zinc/54/19/37/1031541937.db2.gz YTTDWTBHLOVZEV-UHFFFAOYSA-N 1 1 310.397 3.521 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cccc(CSC)c2)no1 ZINC000872174608 1031550993 /nfs/dbraw/zinc/55/09/93/1031550993.db2.gz JPMUIVZOXZILLU-GFCCVEGCSA-N 1 1 309.822 3.742 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc3[nH]c(C)c(C)c3c2)no1 ZINC000872176136 1031551010 /nfs/dbraw/zinc/55/10/10/1031551010.db2.gz NLEKIBRJICRVPF-ZDUSSCGKSA-N 1 1 316.792 3.977 20 30 DHEDMO CC1CCC(OC2CC[NH+](Cc3cncc(C#N)c3)CC2)CC1 ZINC000929605021 1031556891 /nfs/dbraw/zinc/55/68/91/1031556891.db2.gz YZSFVMCSDNNKCU-UHFFFAOYSA-N 1 1 313.445 3.513 20 30 DHEDMO CCCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929606237 1031558350 /nfs/dbraw/zinc/55/83/50/1031558350.db2.gz VWCKJWJKADIQQQ-QGZVFWFLSA-N 1 1 306.837 3.993 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872275153 1031572152 /nfs/dbraw/zinc/57/21/52/1031572152.db2.gz FVVOXIGWOJANNA-KRWDZBQOSA-N 1 1 302.393 3.621 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872281640 1031576182 /nfs/dbraw/zinc/57/61/82/1031576182.db2.gz VLOCVSNORFDKFQ-SFHVURJKSA-N 1 1 302.393 3.621 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872281640 1031576192 /nfs/dbraw/zinc/57/61/92/1031576192.db2.gz VLOCVSNORFDKFQ-SFHVURJKSA-N 1 1 302.393 3.621 20 30 DHEDMO CC(C)(C#N)CC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000537364895 1031580148 /nfs/dbraw/zinc/58/01/48/1031580148.db2.gz XJDKEVKKFQHWQM-UHFFFAOYSA-N 1 1 307.235 3.747 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCc2c(Br)cccc2C1 ZINC000537364895 1031580162 /nfs/dbraw/zinc/58/01/62/1031580162.db2.gz XJDKEVKKFQHWQM-UHFFFAOYSA-N 1 1 307.235 3.747 20 30 DHEDMO C[NH+](C)C1(CN[C@H]2CCCCc3cc(C#N)ccc32)CCCC1 ZINC000360837670 1031580770 /nfs/dbraw/zinc/58/07/70/1031580770.db2.gz QOABXSXZXMMCRA-IBGZPJMESA-N 1 1 311.473 3.790 20 30 DHEDMO C[NH+](C)C1(CN[C@@H]2CCCCc3cc(C#N)ccc32)CCCC1 ZINC000360837671 1031581976 /nfs/dbraw/zinc/58/19/76/1031581976.db2.gz QOABXSXZXMMCRA-LJQANCHMSA-N 1 1 311.473 3.790 20 30 DHEDMO N#CC1(CCCCN2CC[C@H](C[NH+]3CCCCC3)C2)CCC1 ZINC000929718275 1031587831 /nfs/dbraw/zinc/58/78/31/1031587831.db2.gz DJSLQZHKWVBDRC-GOSISDBHSA-N 1 1 303.494 3.658 20 30 DHEDMO N#CC1CCC(C[N@H+](CCCO)[C@H]2CCc3ccccc32)CC1 ZINC000929800838 1031610884 /nfs/dbraw/zinc/61/08/84/1031610884.db2.gz YPEJAPMMTBHMCW-UHYCVJNDSA-N 1 1 312.457 3.688 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929798192 1031611579 /nfs/dbraw/zinc/61/15/79/1031611579.db2.gz ZTMYPJMDXGWNJT-OAHLLOKOSA-N 1 1 306.450 3.514 20 30 DHEDMO N#Cc1cncc(C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)c1 ZINC000929889687 1031636486 /nfs/dbraw/zinc/63/64/86/1031636486.db2.gz HCCXAHLWBAGKQK-FQEVSTJZSA-N 1 1 303.409 3.995 20 30 DHEDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000845737146 1031677410 /nfs/dbraw/zinc/67/74/10/1031677410.db2.gz WENRSCIAJJYPIF-MRXNPFEDSA-N 1 1 314.429 3.517 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@@H+](C[C@H]3C[C@@H]3c3ccccc3)CCO2)cc1 ZINC000897596467 1031679109 /nfs/dbraw/zinc/67/91/09/1031679109.db2.gz QPMWMSVGCBWQPA-NJYVYQBISA-N 1 1 318.420 3.735 20 30 DHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(C#N)ccc3F)c2C1 ZINC000825651181 1031703753 /nfs/dbraw/zinc/70/37/53/1031703753.db2.gz FJXGBNAULHEDRO-UHFFFAOYSA-N 1 1 323.371 3.675 20 30 DHEDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(C#N)ccc3F)c2C1 ZINC000825651181 1031703772 /nfs/dbraw/zinc/70/37/72/1031703772.db2.gz FJXGBNAULHEDRO-UHFFFAOYSA-N 1 1 323.371 3.675 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC001144581554 1031722503 /nfs/dbraw/zinc/72/25/03/1031722503.db2.gz WMBCFZYKZOWTAR-HXUWFJFHSA-N 1 1 319.404 3.792 20 30 DHEDMO C#Cc1ccc(C[N@H+](CC)[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001144576875 1031724077 /nfs/dbraw/zinc/72/40/77/1031724077.db2.gz UQLXYFUWYREJAN-JOCHJYFZSA-N 1 1 318.464 3.764 20 30 DHEDMO C#Cc1ccc(CN(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001144576875 1031724088 /nfs/dbraw/zinc/72/40/88/1031724088.db2.gz UQLXYFUWYREJAN-JOCHJYFZSA-N 1 1 318.464 3.764 20 30 DHEDMO C#Cc1ccc(CN(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001144576875 1031724096 /nfs/dbraw/zinc/72/40/96/1031724096.db2.gz UQLXYFUWYREJAN-JOCHJYFZSA-N 1 1 318.464 3.764 20 30 DHEDMO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000897626220 1031748697 /nfs/dbraw/zinc/74/86/97/1031748697.db2.gz VORBKJMRFYSVME-UHFFFAOYSA-N 1 1 316.474 3.820 20 30 DHEDMO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000897626220 1031748707 /nfs/dbraw/zinc/74/87/07/1031748707.db2.gz VORBKJMRFYSVME-UHFFFAOYSA-N 1 1 316.474 3.820 20 30 DHEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(OCC(F)F)cc1 ZINC000897625493 1031748817 /nfs/dbraw/zinc/74/88/17/1031748817.db2.gz KWILOGFSYKDSIO-UHFFFAOYSA-N 1 1 322.380 3.896 20 30 DHEDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2cc(C#N)cs2)c1O ZINC000897626402 1031749712 /nfs/dbraw/zinc/74/97/12/1031749712.db2.gz ZDZQBYLBVUKYBV-UHFFFAOYSA-N 1 1 322.817 3.619 20 30 DHEDMO C=CCN(Cc1cccs1)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200288 1031756867 /nfs/dbraw/zinc/75/68/67/1031756867.db2.gz ALOTUIQFXMFAFD-UHFFFAOYSA-N 1 1 304.484 3.644 20 30 DHEDMO COC[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000561209763 1031768259 /nfs/dbraw/zinc/76/82/59/1031768259.db2.gz PKRZUHIGCLCSBK-GOSISDBHSA-N 1 1 317.791 3.808 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1cc(Cl)ccn1 ZINC000777906142 1031807425 /nfs/dbraw/zinc/80/74/25/1031807425.db2.gz SWBRHKRYLGGEEW-ZDUSSCGKSA-N 1 1 314.820 3.655 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1cc(Cl)ccn1 ZINC000777906140 1031808532 /nfs/dbraw/zinc/80/85/32/1031808532.db2.gz SWBRHKRYLGGEEW-CYBMUJFWSA-N 1 1 314.820 3.655 20 30 DHEDMO N#Cc1cncc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000930451936 1031824108 /nfs/dbraw/zinc/82/41/08/1031824108.db2.gz XJOTUKCJYDSNLI-ZCNNSNEGSA-N 1 1 303.409 3.721 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)CCC1 ZINC000930461343 1031830325 /nfs/dbraw/zinc/83/03/25/1031830325.db2.gz PTYDHNTUKRQJGS-HNNXBMFYSA-N 1 1 318.383 3.630 20 30 DHEDMO CCOC[C@@]12CCC[C@@H]1C[N@H+]([C@@H](C)Cc1cccc(C#N)c1)C2 ZINC001171212655 1031869997 /nfs/dbraw/zinc/86/99/97/1031869997.db2.gz OXKGKCWZYWTAHL-DBVUQKKJSA-N 1 1 312.457 3.628 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC000930571435 1031871775 /nfs/dbraw/zinc/87/17/75/1031871775.db2.gz XJXIRJWOJWIQFK-MRXNPFEDSA-N 1 1 311.816 3.986 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000930639029 1031902560 /nfs/dbraw/zinc/90/25/60/1031902560.db2.gz NWUGGDJFDHFCHY-UXHICEINSA-N 1 1 324.468 3.956 20 30 DHEDMO N#Cc1cncc(C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000930721210 1031928409 /nfs/dbraw/zinc/92/84/09/1031928409.db2.gz XCURKBBMOAPYLA-IBGZPJMESA-N 1 1 303.409 3.723 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000930764035 1031940960 /nfs/dbraw/zinc/94/09/60/1031940960.db2.gz IWBWUZQMRWAZLG-BYCMXARLSA-N 1 1 312.335 3.661 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001171220859 1031955234 /nfs/dbraw/zinc/95/52/34/1031955234.db2.gz FCISVNDWNSKGQW-OXJNMPFZSA-N 1 1 306.409 3.643 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@H](C)Cc2cccc(C#N)c2)cc1OC ZINC001171220751 1031955478 /nfs/dbraw/zinc/95/54/78/1031955478.db2.gz DYAJHMHNNIJHOB-OAHLLOKOSA-N 1 1 324.424 3.638 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001171221034 1031958846 /nfs/dbraw/zinc/95/88/46/1031958846.db2.gz HJDDCTDFPMKVKZ-UTKZUKDTSA-N 1 1 320.436 3.780 20 30 DHEDMO COc1ccc(C[C@H]2CCCC[N@H+]2Cc2cncc(C#N)c2)cc1 ZINC000930855288 1031966103 /nfs/dbraw/zinc/96/61/03/1031966103.db2.gz NKAJGHOVXPCPSD-LJQANCHMSA-N 1 1 321.424 3.559 20 30 DHEDMO C[N@@H+](CC1CCC(C#N)CC1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000930921912 1031985845 /nfs/dbraw/zinc/98/58/45/1031985845.db2.gz WHBPTZQLMSYLAB-UHFFFAOYSA-N 1 1 323.481 3.551 20 30 DHEDMO CCCCN1CCC([N@H+](C)[C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171232407 1032018545 /nfs/dbraw/zinc/01/85/45/1032018545.db2.gz RIZGTLLEDVZYGD-QGZVFWFLSA-N 1 1 313.489 3.686 20 30 DHEDMO CCCCN1CCC([N@@H+](C)[C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171232407 1032018565 /nfs/dbraw/zinc/01/85/65/1032018565.db2.gz RIZGTLLEDVZYGD-QGZVFWFLSA-N 1 1 313.489 3.686 20 30 DHEDMO COc1cccc(C2=CC[N@H+](Cc3cccc(C#N)c3F)CC2)c1 ZINC000539249707 1033307166 /nfs/dbraw/zinc/30/71/66/1033307166.db2.gz IPEMBAJNDHSQPA-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO COc1cccc(C2=CC[N@@H+](Cc3cccc(C#N)c3F)CC2)c1 ZINC000539249707 1033307175 /nfs/dbraw/zinc/30/71/75/1033307175.db2.gz IPEMBAJNDHSQPA-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO C[C@H](C#N)C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C1CC1 ZINC000338352481 1033330113 /nfs/dbraw/zinc/33/01/13/1033330113.db2.gz LYYFBFNCIBUTCV-MRXNPFEDSA-N 1 1 321.424 3.785 20 30 DHEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C1CC1 ZINC000338352481 1033330123 /nfs/dbraw/zinc/33/01/23/1033330123.db2.gz LYYFBFNCIBUTCV-MRXNPFEDSA-N 1 1 321.424 3.785 20 30 DHEDMO C#CC[N@H+]([C@H](C)CCC(=O)OC(C)C)[C@@H]1CCc2ccccc21 ZINC001172759162 1033354415 /nfs/dbraw/zinc/35/44/15/1033354415.db2.gz NPDMHGKKYFUFHI-VQIMIIECSA-N 1 1 313.441 3.729 20 30 DHEDMO C=C(C)C[N@H+](CC)C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C ZINC001172819800 1033384358 /nfs/dbraw/zinc/38/43/58/1033384358.db2.gz OKGYCFBLXWSQRZ-XYPWUTKMSA-N 1 1 306.450 3.591 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H](c2ccccn2)C2CCC2)c1 ZINC000877653026 1033397217 /nfs/dbraw/zinc/39/72/17/1033397217.db2.gz VAQMAJJKOJZYKA-INIZCTEOSA-N 1 1 312.804 3.633 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000877657769 1033400651 /nfs/dbraw/zinc/40/06/51/1033400651.db2.gz IGPDWACUJYPRQB-MAUKXSAKSA-N 1 1 313.445 3.742 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c1 ZINC000877739972 1033428230 /nfs/dbraw/zinc/42/82/30/1033428230.db2.gz PSZXWTZMGSRQSA-SJORKVTESA-N 1 1 316.470 3.554 20 30 DHEDMO CC[C@@H]1CCCC[N@H+]1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172992497 1033501277 /nfs/dbraw/zinc/50/12/77/1033501277.db2.gz YUVYJJDRGTUJHW-PMPSAXMXSA-N 1 1 321.465 3.543 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@@H+](C1CCC3(CCOCC3)CC1)C2 ZINC001173047183 1033514291 /nfs/dbraw/zinc/51/42/91/1033514291.db2.gz UCGXXCUAMWLVFK-UHFFFAOYSA-N 1 1 310.441 3.656 20 30 DHEDMO CCCC[N@H+](CCC#N)[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173072265 1033528392 /nfs/dbraw/zinc/52/83/92/1033528392.db2.gz UKTTXLCHABSIJG-HZPDHXFCSA-N 1 1 323.481 3.790 20 30 DHEDMO CCCC[N@@H+](CCC#N)[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173072265 1033528395 /nfs/dbraw/zinc/52/83/95/1033528395.db2.gz UKTTXLCHABSIJG-HZPDHXFCSA-N 1 1 323.481 3.790 20 30 DHEDMO CCCC[N@H+](CCC#N)[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173072264 1033530021 /nfs/dbraw/zinc/53/00/21/1033530021.db2.gz UKTTXLCHABSIJG-HOTGVXAUSA-N 1 1 323.481 3.790 20 30 DHEDMO CCCC[N@@H+](CCC#N)[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173072264 1033530027 /nfs/dbraw/zinc/53/00/27/1033530027.db2.gz UKTTXLCHABSIJG-HOTGVXAUSA-N 1 1 323.481 3.790 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1COc2cccc(OC)c2C1 ZINC001173165507 1033564698 /nfs/dbraw/zinc/56/46/98/1033564698.db2.gz MWSFFWPBMFEUTP-KRWDZBQOSA-N 1 1 309.409 3.687 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H]1C(C)(C)C)c1ccccc1 ZINC000878055127 1033568074 /nfs/dbraw/zinc/56/80/74/1033568074.db2.gz QIIJVQDYDPIWSN-UYAOXDASSA-N 1 1 312.457 3.938 20 30 DHEDMO CC[C@@H]1CCC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878113722 1033582980 /nfs/dbraw/zinc/58/29/80/1033582980.db2.gz MBSHFFGTWABQLM-UYAOXDASSA-N 1 1 312.457 3.939 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCCC[C@@H]1C(C)C)c1ccccc1 ZINC000878113349 1033583265 /nfs/dbraw/zinc/58/32/65/1033583265.db2.gz ZRBBTJWMFKRCJA-WOJBJXKFSA-N 1 1 312.457 3.938 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173196558 1033586327 /nfs/dbraw/zinc/58/63/27/1033586327.db2.gz NQKXDJAIGRPLNF-GFCCVEGCSA-N 1 1 310.369 3.572 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1CCC2(CCOCC2)CO1 ZINC000878159275 1033600917 /nfs/dbraw/zinc/60/09/17/1033600917.db2.gz HAGDISDTEXLJCW-GOSISDBHSA-N 1 1 322.493 3.614 20 30 DHEDMO CC[C@H](C)C[N@@H+](CC)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878165576 1033604199 /nfs/dbraw/zinc/60/41/99/1033604199.db2.gz YMVSBFXRAZPJQT-LPHOPBHVSA-N 1 1 300.446 3.795 20 30 DHEDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001173229864 1033604744 /nfs/dbraw/zinc/60/47/44/1033604744.db2.gz BCANEFAVERAUBC-AWEZNQCLSA-N 1 1 309.369 3.529 20 30 DHEDMO C=CC(C)(C)CC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000878225310 1033627459 /nfs/dbraw/zinc/62/74/59/1033627459.db2.gz CODRRDQQXACILM-UHFFFAOYSA-N 1 1 302.462 3.745 20 30 DHEDMO C=CCOC1CCC([N@@H+]2CCC(=O)[C@H](C)C23CCCC3)CC1 ZINC001173325730 1033685002 /nfs/dbraw/zinc/68/50/02/1033685002.db2.gz QGVYQPJAOPPIOI-GTPINHCMSA-N 1 1 305.462 3.724 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC001173325937 1033686841 /nfs/dbraw/zinc/68/68/41/1033686841.db2.gz UFEWJNMCMSFPPT-TVPLGVNVSA-N 1 1 319.420 3.793 20 30 DHEDMO N#CCC1CCC([N@H+](CCN)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001173328828 1033689323 /nfs/dbraw/zinc/68/93/23/1033689323.db2.gz PIBMFNAQDRWVOG-UHFFFAOYSA-N 1 1 315.505 3.688 20 30 DHEDMO N#CCC1CCC([NH+]2CCC(N)(c3ccc(F)cc3)CC2)CC1 ZINC001173332056 1033691928 /nfs/dbraw/zinc/69/19/28/1033691928.db2.gz HBQSBVAXMCCXRJ-UHFFFAOYSA-N 1 1 315.436 3.548 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1C1CCC(CC#N)CC1 ZINC001173338172 1033693809 /nfs/dbraw/zinc/69/38/09/1033693809.db2.gz ANRSTCWGPKHORL-GPANFISMSA-N 1 1 306.450 3.655 20 30 DHEDMO N#CCC1CCC([N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001173339150 1033694504 /nfs/dbraw/zinc/69/45/04/1033694504.db2.gz MUJYKIRETJANJB-AVVWSFFYSA-N 1 1 320.383 3.890 20 30 DHEDMO N#CCC1CCC([N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001173339151 1033695186 /nfs/dbraw/zinc/69/51/86/1033695186.db2.gz MUJYKIRETJANJB-BCLQGDPASA-N 1 1 320.383 3.890 20 30 DHEDMO C#CCCCCC[N@@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000878536595 1033741223 /nfs/dbraw/zinc/74/12/23/1033741223.db2.gz ZZEUAPQYAIKAAV-AWEZNQCLSA-N 1 1 320.458 3.569 20 30 DHEDMO CC[C@H](C)[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C ZINC001173589369 1033778798 /nfs/dbraw/zinc/77/87/98/1033778798.db2.gz WEJRJSBRBMPDAQ-CQDIZWNASA-N 1 1 308.466 3.805 20 30 DHEDMO C[N@@H+]([C@@H]1CCN(Cc2ccccc2)C1)C1CCC(C)(C#N)CC1 ZINC001173592130 1033781315 /nfs/dbraw/zinc/78/13/15/1033781315.db2.gz HGTBKMACVAYHEQ-IOJLRTSASA-N 1 1 311.473 3.665 20 30 DHEDMO C=CCCCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000479546353 1033803594 /nfs/dbraw/zinc/80/35/94/1033803594.db2.gz RKMZOGAEKAXNGO-QGZVFWFLSA-N 1 1 314.473 3.891 20 30 DHEDMO C=CCCC[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000878779497 1033826577 /nfs/dbraw/zinc/82/65/77/1033826577.db2.gz DPSJEUAMKODXFT-IEBWSBKVSA-N 1 1 314.473 3.585 20 30 DHEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000862443008 1033856037 /nfs/dbraw/zinc/85/60/37/1033856037.db2.gz KJOMPLXVBLUKON-KRWDZBQOSA-N 1 1 306.409 3.506 20 30 DHEDMO C[N@@H+](Cc1ccc(Br)cc1C#N)C(C1CC1)C1CC1 ZINC000553873127 1033872758 /nfs/dbraw/zinc/87/27/58/1033872758.db2.gz XJWRXJZLTQWMGG-UHFFFAOYSA-N 1 1 319.246 3.941 20 30 DHEDMO CC(C)c1ncc(C[N@@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000862542152 1033883374 /nfs/dbraw/zinc/88/33/74/1033883374.db2.gz GXDSPYRVFZVRLA-UHFFFAOYSA-N 1 1 311.454 3.891 20 30 DHEDMO CC(C)c1ncc(C[N@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000862542152 1033883384 /nfs/dbraw/zinc/88/33/84/1033883384.db2.gz GXDSPYRVFZVRLA-UHFFFAOYSA-N 1 1 311.454 3.891 20 30 DHEDMO COC[C@H](C)[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCc2ccccc21 ZINC000879064688 1033911958 /nfs/dbraw/zinc/91/19/58/1033911958.db2.gz MISKLKIKHINXAP-IFXJQAMLSA-N 1 1 310.397 3.676 20 30 DHEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000879086888 1033918761 /nfs/dbraw/zinc/91/87/61/1033918761.db2.gz CLPAJGTVGCOLOK-FUHWJXTLSA-N 1 1 314.473 3.616 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)o1 ZINC000174284226 1033919030 /nfs/dbraw/zinc/91/90/30/1033919030.db2.gz OEFBWLSWWXIDHT-UHFFFAOYSA-N 1 1 323.396 3.570 20 30 DHEDMO C[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCC[C@@H]1C#N ZINC000879310289 1033978234 /nfs/dbraw/zinc/97/82/34/1033978234.db2.gz SKNQBQITWQQDKC-VCTAVGKDSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCC[C@@H]1C#N ZINC000879310289 1033978246 /nfs/dbraw/zinc/97/82/46/1033978246.db2.gz SKNQBQITWQQDKC-VCTAVGKDSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@H+](C[C@H](O)c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC000879308626 1033978725 /nfs/dbraw/zinc/97/87/25/1033978725.db2.gz FJOIJQSEHQQBEV-UGFHNGPFSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@@H+](C[C@H](O)c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC000879308626 1033978733 /nfs/dbraw/zinc/97/87/33/1033978733.db2.gz FJOIJQSEHQQBEV-UGFHNGPFSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCC[C@@H]1C#N ZINC000879310291 1033979628 /nfs/dbraw/zinc/97/96/28/1033979628.db2.gz SKNQBQITWQQDKC-WKPIXPDZSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCC[C@@H]1C#N ZINC000879310291 1033979633 /nfs/dbraw/zinc/97/96/33/1033979633.db2.gz SKNQBQITWQQDKC-WKPIXPDZSA-N 1 1 313.228 3.651 20 30 DHEDMO Cc1ccc2c(C[N@@H+](C)[C@@H]3CCC[C@H]3C#N)cc(=O)oc2c1C ZINC000879311467 1033982943 /nfs/dbraw/zinc/98/29/43/1033982943.db2.gz QWFAHNZAQXZDKV-WMLDXEAASA-N 1 1 310.397 3.534 20 30 DHEDMO Cc1ccc2c(C[N@H+](C)[C@@H]3CCC[C@H]3C#N)cc(=O)oc2c1C ZINC000879311467 1033982949 /nfs/dbraw/zinc/98/29/49/1033982949.db2.gz QWFAHNZAQXZDKV-WMLDXEAASA-N 1 1 310.397 3.534 20 30 DHEDMO C=CC(C)(C)CC(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000879374579 1033996715 /nfs/dbraw/zinc/99/67/15/1033996715.db2.gz LKCIGPHAXBSLQR-UHFFFAOYSA-N 1 1 320.521 3.949 20 30 DHEDMO C(#Cc1ccccc1)C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000879551962 1034044858 /nfs/dbraw/zinc/04/48/58/1034044858.db2.gz LUOXWLSTHYEVIM-UHFFFAOYSA-N 1 1 321.424 3.568 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1O ZINC000863294711 1034059266 /nfs/dbraw/zinc/05/92/66/1034059266.db2.gz CEZPAZXAUUFRBO-SJORKVTESA-N 1 1 319.470 3.599 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)c1 ZINC000177396128 1034156279 /nfs/dbraw/zinc/15/62/79/1034156279.db2.gz YOPPMKVNAZSTIH-MRXNPFEDSA-N 1 1 310.422 3.857 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCCCC2=NNCCC(F)(F)F)C1 ZINC000794546702 1034171101 /nfs/dbraw/zinc/17/11/01/1034171101.db2.gz AZBHIYONGROZKA-VNHYZAJKSA-N 1 1 319.415 3.805 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000554552342 1034204036 /nfs/dbraw/zinc/20/40/36/1034204036.db2.gz UGBKIHOQRVOFJB-SFHVURJKSA-N 1 1 323.396 3.530 20 30 DHEDMO CCCCCCCC(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000794571057 1034224819 /nfs/dbraw/zinc/22/48/19/1034224819.db2.gz HPRZWUQCPAIQHO-SFHVURJKSA-N 1 1 318.461 3.552 20 30 DHEDMO C=CCN(C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)C(C)C ZINC000863942850 1034227264 /nfs/dbraw/zinc/22/72/64/1034227264.db2.gz CJXFQWROACEXQJ-SFHVURJKSA-N 1 1 300.446 3.532 20 30 DHEDMO COc1ccccc1[C@H]1CSCCC[N@H+]1CC1(CC#N)CC1 ZINC000880176876 1034232792 /nfs/dbraw/zinc/23/27/92/1034232792.db2.gz UTUYUJXILKZOMQ-MRXNPFEDSA-N 1 1 316.470 3.869 20 30 DHEDMO C=CC[NH+](CC=C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000480513082 1034286942 /nfs/dbraw/zinc/28/69/42/1034286942.db2.gz HRRRYXUSSJBJEG-UHFFFAOYSA-N 1 1 312.388 3.974 20 30 DHEDMO C=C(C)C[N@@H+](CC)Cc1nc2cc(Br)ccc2[nH]1 ZINC000480528735 1034304472 /nfs/dbraw/zinc/30/44/72/1034304472.db2.gz LSNXOBQLYAUKDH-UHFFFAOYSA-N 1 1 308.223 3.723 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1nc2cc(Br)ccc2[nH]1 ZINC000480528735 1034304485 /nfs/dbraw/zinc/30/44/85/1034304485.db2.gz LSNXOBQLYAUKDH-UHFFFAOYSA-N 1 1 308.223 3.723 20 30 DHEDMO C=CCCC[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccccc1 ZINC000880389183 1034319475 /nfs/dbraw/zinc/31/94/75/1034319475.db2.gz DSEBUAPTDFDODP-QGZVFWFLSA-N 1 1 310.445 3.802 20 30 DHEDMO C=CCCC[C@H]([NH2+]Cc1cn(CC2CC2)nn1)c1ccccc1 ZINC000880389875 1034320581 /nfs/dbraw/zinc/32/05/81/1034320581.db2.gz KBKPDLXPGPRZOM-IBGZPJMESA-N 1 1 310.445 3.875 20 30 DHEDMO N#Cc1cc(NC2=CCC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC001174397352 1034325096 /nfs/dbraw/zinc/32/50/96/1034325096.db2.gz VFQAWZJVXXOIDR-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO N#Cc1cccc(F)c1NC1=CCC[N@H+](Cc2ccccc2)C1 ZINC001174397244 1034327675 /nfs/dbraw/zinc/32/76/75/1034327675.db2.gz PQAOGATXOUHUCZ-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO N#Cc1cccc(F)c1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174397244 1034327680 /nfs/dbraw/zinc/32/76/80/1034327680.db2.gz PQAOGATXOUHUCZ-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO C[N@@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)[C@@H]1CCC(C)(C)C1 ZINC000794686776 1034342793 /nfs/dbraw/zinc/34/27/93/1034342793.db2.gz QUHISRYQSMACCC-QGZVFWFLSA-N 1 1 308.429 3.890 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)Cc1ccccc1 ZINC000480619389 1034355581 /nfs/dbraw/zinc/35/55/81/1034355581.db2.gz GLCMNYFCRARFKX-OAHLLOKOSA-N 1 1 321.873 3.993 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)ccc1F ZINC000880575865 1034367989 /nfs/dbraw/zinc/36/79/89/1034367989.db2.gz KSNQNEGNYAPAQK-QGZVFWFLSA-N 1 1 316.420 3.726 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1Cl ZINC000554888786 1034393161 /nfs/dbraw/zinc/39/31/61/1034393161.db2.gz SSLBFHMWAKNDIN-PBHICJAKSA-N 1 1 322.880 3.677 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1Cl ZINC000554888786 1034393173 /nfs/dbraw/zinc/39/31/73/1034393173.db2.gz SSLBFHMWAKNDIN-PBHICJAKSA-N 1 1 322.880 3.677 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000554888786 1034393185 /nfs/dbraw/zinc/39/31/85/1034393185.db2.gz SSLBFHMWAKNDIN-PBHICJAKSA-N 1 1 322.880 3.677 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c1 ZINC000554946225 1034428326 /nfs/dbraw/zinc/42/83/26/1034428326.db2.gz QDFAABMQCSBUAG-HXUWFJFHSA-N 1 1 304.393 3.528 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](CCCCc3ccccc3)CCO2)c1 ZINC000480889401 1034488215 /nfs/dbraw/zinc/48/82/15/1034488215.db2.gz NKSVEQANLALCTK-OAQYLSRUSA-N 1 1 320.436 3.954 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](CCCCc3ccccc3)CCO2)c1 ZINC000480889401 1034488228 /nfs/dbraw/zinc/48/82/28/1034488228.db2.gz NKSVEQANLALCTK-OAQYLSRUSA-N 1 1 320.436 3.954 20 30 DHEDMO C=CCCCCn1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000881196666 1034559573 /nfs/dbraw/zinc/55/95/73/1034559573.db2.gz XSDBOMHKPIGDSR-LJQANCHMSA-N 1 1 310.445 3.802 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001174781658 1034602110 /nfs/dbraw/zinc/60/21/10/1034602110.db2.gz YOTUZMPXAPMIDZ-VVLHAWIVSA-N 1 1 320.477 3.863 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+](C(C)C)[C@H](CC)c2ccccc2)C1=O ZINC001174818381 1034619496 /nfs/dbraw/zinc/61/94/96/1034619496.db2.gz DLMNOXBEKZXPFY-QZTJIDSGSA-N 1 1 300.446 3.635 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001174889869 1034643190 /nfs/dbraw/zinc/64/31/90/1034643190.db2.gz AAWLIBMEVGTNPQ-SJORKVTESA-N 1 1 322.493 3.922 20 30 DHEDMO C=C(C)C[N@@H+](C)Cc1nnc(-c2ccc(OCCCC)cc2)o1 ZINC000481231115 1034676424 /nfs/dbraw/zinc/67/64/24/1034676424.db2.gz QLRXPALCHZECPM-UHFFFAOYSA-N 1 1 315.417 3.923 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1nnc(-c2ccc(OCCCC)cc2)o1 ZINC000481231115 1034676436 /nfs/dbraw/zinc/67/64/36/1034676436.db2.gz QLRXPALCHZECPM-UHFFFAOYSA-N 1 1 315.417 3.923 20 30 DHEDMO CC(C)OC(=O)C[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187725979 1034728887 /nfs/dbraw/zinc/72/88/87/1034728887.db2.gz CKUWPKVLFSVQKV-DOTOQJQBSA-N 1 1 314.429 3.673 20 30 DHEDMO COc1ccc(C[N@H+](CCC#N)CCC(C)C)cc1OC1CC1 ZINC000600117794 1034740527 /nfs/dbraw/zinc/74/05/27/1034740527.db2.gz PAXKAQZSYVDXCH-UHFFFAOYSA-N 1 1 316.445 3.998 20 30 DHEDMO COc1ccc(C[N@@H+](CCC#N)CCC(C)C)cc1OC1CC1 ZINC000600117794 1034740542 /nfs/dbraw/zinc/74/05/42/1034740542.db2.gz PAXKAQZSYVDXCH-UHFFFAOYSA-N 1 1 316.445 3.998 20 30 DHEDMO Cc1ccc(C[NH+]2CCC(S)CC2)c(F)c1Br ZINC001249462048 1034770645 /nfs/dbraw/zinc/77/06/45/1034770645.db2.gz SUQBNFNUWTUKHW-UHFFFAOYSA-N 1 1 318.255 3.791 20 30 DHEDMO COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc(C(F)(F)F)c1 ZINC000600178957 1034791763 /nfs/dbraw/zinc/79/17/63/1034791763.db2.gz SDSQEBFQSAJTRT-LBPRGKRZSA-N 1 1 312.335 3.840 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc(C(F)(F)F)c1 ZINC000600178957 1034791778 /nfs/dbraw/zinc/79/17/78/1034791778.db2.gz SDSQEBFQSAJTRT-LBPRGKRZSA-N 1 1 312.335 3.840 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](C[C@H]1CCOc3ccccc31)C2 ZINC000600212250 1034805544 /nfs/dbraw/zinc/80/55/44/1034805544.db2.gz ATKMLFSSMOBCBF-GOSISDBHSA-N 1 1 318.420 3.677 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)cc1F ZINC000600214362 1034816299 /nfs/dbraw/zinc/81/62/99/1034816299.db2.gz PDMZZDLZQQJSRM-OAHLLOKOSA-N 1 1 304.409 3.954 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000481690950 1034932330 /nfs/dbraw/zinc/93/23/30/1034932330.db2.gz NNGVQRJLKMKHIV-OAQYLSRUSA-N 1 1 318.420 3.774 20 30 DHEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000481699306 1034938539 /nfs/dbraw/zinc/93/85/39/1034938539.db2.gz VBIZYJVFUMPARF-NRFANRHFSA-N 1 1 321.395 3.699 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000481699306 1034938548 /nfs/dbraw/zinc/93/85/48/1034938548.db2.gz VBIZYJVFUMPARF-NRFANRHFSA-N 1 1 321.395 3.699 20 30 DHEDMO CCC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC001175333350 1034938666 /nfs/dbraw/zinc/93/86/66/1034938666.db2.gz XAUWQXPTJFZHGL-FQEVSTJZSA-N 1 1 324.424 3.512 20 30 DHEDMO CCOC(=O)[C@H](CCCC(C)C)[NH2+]CC1CCC(C#N)CC1 ZINC001176007962 1035183530 /nfs/dbraw/zinc/18/35/30/1035183530.db2.gz DBGVUUOCGDGAHN-JCYILVPMSA-N 1 1 308.466 3.664 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000482911191 1035197720 /nfs/dbraw/zinc/19/77/20/1035197720.db2.gz CMIYQFMOGLXTOU-GOSISDBHSA-N 1 1 316.420 3.553 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000482911191 1035197723 /nfs/dbraw/zinc/19/77/23/1035197723.db2.gz CMIYQFMOGLXTOU-GOSISDBHSA-N 1 1 316.420 3.553 20 30 DHEDMO C[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCCN(c2ccccc2)C1 ZINC000482940300 1035203182 /nfs/dbraw/zinc/20/31/82/1035203182.db2.gz DTXGPJFEXWCSCB-HXUWFJFHSA-N 1 1 323.415 3.798 20 30 DHEDMO N#Cc1ccccc1N1CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000482954553 1035205275 /nfs/dbraw/zinc/20/52/75/1035205275.db2.gz DXKCCVLSQQVGDY-FQEVSTJZSA-N 1 1 321.399 3.507 20 30 DHEDMO C[C@@H](C#N)OCC[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000801913676 1035218616 /nfs/dbraw/zinc/21/86/16/1035218616.db2.gz HONGJPNAVLDACM-RYUDHWBXSA-N 1 1 300.324 3.627 20 30 DHEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)CC(C)(C)CCC#N ZINC000160743183 1035228409 /nfs/dbraw/zinc/22/84/09/1035228409.db2.gz GNEZDLVBVBBWFG-UHFFFAOYSA-N 1 1 315.461 3.976 20 30 DHEDMO C=CC[N@@H+](CCOC)Cc1cc(Cl)ccc1OC(F)F ZINC000483420998 1035267662 /nfs/dbraw/zinc/26/76/62/1035267662.db2.gz SRXIBHLSCOOHNE-UHFFFAOYSA-N 1 1 305.752 3.576 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1cc(Cl)ccc1OC(F)F ZINC000483420998 1035267668 /nfs/dbraw/zinc/26/76/68/1035267668.db2.gz SRXIBHLSCOOHNE-UHFFFAOYSA-N 1 1 305.752 3.576 20 30 DHEDMO COc1cccc(C2=CC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000483599108 1035282303 /nfs/dbraw/zinc/28/23/03/1035282303.db2.gz OKDHAAXXMBAJMQ-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO COc1cccc(C2=CC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000483599108 1035282306 /nfs/dbraw/zinc/28/23/06/1035282306.db2.gz OKDHAAXXMBAJMQ-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO CCc1ccccc1C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001176588658 1035291090 /nfs/dbraw/zinc/29/10/90/1035291090.db2.gz UPJAIJWCQRZULB-HXUWFJFHSA-N 1 1 306.409 3.694 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](COc3ccccc3)C2)cc1F ZINC000484064353 1035317526 /nfs/dbraw/zinc/31/75/26/1035317526.db2.gz HWFZVEKWTAPFBF-INIZCTEOSA-N 1 1 310.372 3.598 20 30 DHEDMO CC[N@H+](CC(=O)Nc1ccccc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741495 1035320599 /nfs/dbraw/zinc/32/05/99/1035320599.db2.gz ATODRCPXUJGTPJ-INIZCTEOSA-N 1 1 321.424 3.888 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccccc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741495 1035320606 /nfs/dbraw/zinc/32/06/06/1035320606.db2.gz ATODRCPXUJGTPJ-INIZCTEOSA-N 1 1 321.424 3.888 20 30 DHEDMO C=CCCCC[N@@H+]1CC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001176816049 1035331769 /nfs/dbraw/zinc/33/17/69/1035331769.db2.gz ZTFGBWOIVLVAMT-MAUKXSAKSA-N 1 1 308.466 3.722 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)cc1 ZINC001176927669 1035336882 /nfs/dbraw/zinc/33/68/82/1035336882.db2.gz VOUZNCBTHBGTAJ-ROUUACIJSA-N 1 1 303.833 3.725 20 30 DHEDMO C=CC[N@H+](Cc1nc(-c2ccco2)no1)CC1CCCCC1 ZINC000484562771 1035365152 /nfs/dbraw/zinc/36/51/52/1035365152.db2.gz BKDDCWUQFGOQTP-UHFFFAOYSA-N 1 1 301.390 3.898 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000484600022 1035374809 /nfs/dbraw/zinc/37/48/09/1035374809.db2.gz ZMTAWXVVHFGVEF-UHFFFAOYSA-N 1 1 321.424 3.636 20 30 DHEDMO C=CC[N@H+](CCOC)[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000484691201 1035389373 /nfs/dbraw/zinc/38/93/73/1035389373.db2.gz YTTUXZKTPUTRJH-GFCCVEGCSA-N 1 1 303.324 3.781 20 30 DHEDMO C=C(Cl)C[NH2+]Cc1cc(Cl)c(OCCC)c(OC)c1 ZINC001177905919 1035397669 /nfs/dbraw/zinc/39/76/69/1035397669.db2.gz VLHYPQPESYAUND-UHFFFAOYSA-N 1 1 304.217 3.980 20 30 DHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(Cc2ccccn2)no1 ZINC000904510899 1035421162 /nfs/dbraw/zinc/42/11/62/1035421162.db2.gz NQZPVSQVWXBONR-OAHLLOKOSA-N 1 1 302.422 3.806 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)CCc1ccc2c(c1)CCO2 ZINC000484908707 1035421459 /nfs/dbraw/zinc/42/14/59/1035421459.db2.gz LXQLGADHXZIREQ-UHFFFAOYSA-N 1 1 300.446 3.816 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000904552933 1035425903 /nfs/dbraw/zinc/42/59/03/1035425903.db2.gz ZOBSFYHOXLUWRM-CYBMUJFWSA-N 1 1 309.772 3.809 20 30 DHEDMO C=CCCn1cc(C[NH2+][C@@H](CC)c2ccc(C)c(F)c2)nn1 ZINC001178360655 1035426012 /nfs/dbraw/zinc/42/60/12/1035426012.db2.gz OHXPEZAYVFJVNT-KRWDZBQOSA-N 1 1 302.397 3.543 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H](C)c2cccc(OC)c2)no1 ZINC000904581760 1035427226 /nfs/dbraw/zinc/42/72/26/1035427226.db2.gz HFZKPAQLGNIWKP-WFASDCNBSA-N 1 1 301.390 3.586 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2c[nH]c3cc(C)ccc23)no1 ZINC000904590328 1035428109 /nfs/dbraw/zinc/42/81/09/1035428109.db2.gz VYDCWUHQLBCADU-HNNXBMFYSA-N 1 1 310.401 3.806 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(CSC)cc2)no1 ZINC000904572692 1035431179 /nfs/dbraw/zinc/43/11/79/1035431179.db2.gz NLLSIFRXIGVKNM-CQSZACIVSA-N 1 1 303.431 3.956 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(CSCc2ccccc2)no1 ZINC000904624358 1035433226 /nfs/dbraw/zinc/43/32/26/1035433226.db2.gz UXWCLKIYRCJFIC-AWEZNQCLSA-N 1 1 303.431 3.859 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cnc3ccccc3c2OC)no1 ZINC000904607079 1035435098 /nfs/dbraw/zinc/43/50/98/1035435098.db2.gz NAOQGVOXJNNCHV-CQSZACIVSA-N 1 1 324.384 3.650 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2cccc(F)c2Cl)no1 ZINC000904612409 1035436297 /nfs/dbraw/zinc/43/62/97/1035436297.db2.gz CHAZOANVDGMFNR-GFCCVEGCSA-N 1 1 309.772 3.809 20 30 DHEDMO C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(OCC#N)cn2)cc1 ZINC000904754210 1035447493 /nfs/dbraw/zinc/44/74/93/1035447493.db2.gz VIYWDLJWPKVQPK-OAHLLOKOSA-N 1 1 307.397 3.635 20 30 DHEDMO C#C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1OCC)[C@@H]1CCCO1 ZINC000775571344 1035566950 /nfs/dbraw/zinc/56/69/50/1035566950.db2.gz FTRUHEVZVFZTKX-NUTKFTJISA-N 1 1 307.821 3.570 20 30 DHEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC001180077314 1035588068 /nfs/dbraw/zinc/58/80/68/1035588068.db2.gz PLSQJAIXIJIRIP-SFHVURJKSA-N 1 1 305.425 3.614 20 30 DHEDMO C=C[C@H](CC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000535360032 1035590528 /nfs/dbraw/zinc/59/05/28/1035590528.db2.gz NLTXOCXKFSYIQG-OKZBNKHCSA-N 1 1 314.473 3.725 20 30 DHEDMO N#Cc1cc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)cs1 ZINC001180174961 1035604253 /nfs/dbraw/zinc/60/42/53/1035604253.db2.gz PRIFEYLQPANDPY-QGZVFWFLSA-N 1 1 312.438 3.801 20 30 DHEDMO N#Cc1cc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cs1 ZINC001180174961 1035604258 /nfs/dbraw/zinc/60/42/58/1035604258.db2.gz PRIFEYLQPANDPY-QGZVFWFLSA-N 1 1 312.438 3.801 20 30 DHEDMO C[C@H]1CSCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000190843982 1035640982 /nfs/dbraw/zinc/64/09/82/1035640982.db2.gz VDCGBYGODYTPDW-OAHLLOKOSA-N 1 1 304.459 3.554 20 30 DHEDMO C[C@H]1C[C@H](Nc2cccc(C#N)c2)C[N@@H+](Cc2ccccc2)C1 ZINC001180489297 1035686748 /nfs/dbraw/zinc/68/67/48/1035686748.db2.gz XTLJMVXYNLWFBK-JXFKEZNVSA-N 1 1 305.425 3.881 20 30 DHEDMO Cn1c2ccc(NCc3cc(C#N)cs3)cc2[nH+]c1C1CC1 ZINC000089806769 1035695300 /nfs/dbraw/zinc/69/53/00/1035695300.db2.gz ZIJYVZYMOBJTCS-UHFFFAOYSA-N 1 1 308.410 3.996 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CC3(CCC3)[C@@H]2c2ccccc2)CCC1 ZINC000905956554 1035715207 /nfs/dbraw/zinc/71/52/07/1035715207.db2.gz KSEXCNLQFAVMKU-ROUUACIJSA-N 1 1 310.441 3.658 20 30 DHEDMO C=CC[C@H]1[N@@H+](CC(=O)N(C)Cc2ccccc2)CCCC1(C)C ZINC001193919605 1035772852 /nfs/dbraw/zinc/77/28/52/1035772852.db2.gz CQQLVVMUHURUIE-GOSISDBHSA-N 1 1 314.473 3.712 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1COc2ccccc2O1 ZINC001194051942 1035814623 /nfs/dbraw/zinc/81/46/23/1035814623.db2.gz MJSMFXYWSOMGDC-SFHVURJKSA-N 1 1 309.409 3.905 20 30 DHEDMO C=CCCC[N@@H+]1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC001194154809 1035851747 /nfs/dbraw/zinc/85/17/47/1035851747.db2.gz XGSGVLHTHWXGIZ-KRWDZBQOSA-N 1 1 308.466 3.676 20 30 DHEDMO C=C(CC)C[N@H+]1CCCC[C@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001194165743 1035853262 /nfs/dbraw/zinc/85/32/62/1035853262.db2.gz VAHNVNHTCSCWCA-IRXDYDNUSA-N 1 1 308.466 3.676 20 30 DHEDMO C=C(CC)C[N@H+]1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001194165745 1035855259 /nfs/dbraw/zinc/85/52/59/1035855259.db2.gz VAHNVNHTCSCWCA-SJORKVTESA-N 1 1 308.466 3.676 20 30 DHEDMO C=CCCCCC[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000193300481 1035856966 /nfs/dbraw/zinc/85/69/66/1035856966.db2.gz SSCMBYUJPUAOTJ-UHFFFAOYSA-N 1 1 300.446 3.581 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CC2CCC1CC2 ZINC001194251882 1035890706 /nfs/dbraw/zinc/89/07/06/1035890706.db2.gz TXAZEJLLEYATMJ-JCYILVPMSA-N 1 1 303.446 3.976 20 30 DHEDMO C=CCOC(=O)Nc1cccc2c1C[N@@H+](C)C[C@@H]2c1ccccc1 ZINC001194319748 1035900992 /nfs/dbraw/zinc/90/09/92/1035900992.db2.gz BQLFTJKCTABPRP-QGZVFWFLSA-N 1 1 322.408 3.998 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](COC)Cc1ccccc1 ZINC000539862722 1035910466 /nfs/dbraw/zinc/91/04/66/1035910466.db2.gz URUXRTOTBSBUGA-HXUWFJFHSA-N 1 1 308.425 3.638 20 30 DHEDMO CC(C)C[C@@]1(C)CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001194533533 1035952861 /nfs/dbraw/zinc/95/28/61/1035952861.db2.gz CRWSROYIPWBTOP-QGZVFWFLSA-N 1 1 301.390 3.867 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1CC1 ZINC000540054598 1035963046 /nfs/dbraw/zinc/96/30/46/1035963046.db2.gz ZNWGRGXNRQJBFL-UHFFFAOYSA-N 1 1 313.228 3.972 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CCO[C@@H](c3cccs3)C2)CCC1 ZINC000929832200 1035968918 /nfs/dbraw/zinc/96/89/18/1035968918.db2.gz CHKDZUKNRYABRE-OAHLLOKOSA-N 1 1 304.459 3.986 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCO[C@@H](c3cccs3)C2)CCC1 ZINC000929832200 1035968932 /nfs/dbraw/zinc/96/89/32/1035968932.db2.gz CHKDZUKNRYABRE-OAHLLOKOSA-N 1 1 304.459 3.986 20 30 DHEDMO C=CCCC[N@H+](C)Cc1nc2ccc(Br)cc2n1C ZINC000485802094 1035974300 /nfs/dbraw/zinc/97/43/00/1035974300.db2.gz ZNHUMFCAXCSWKX-UHFFFAOYSA-N 1 1 322.250 3.734 20 30 DHEDMO CC#CC[N@@H+](C)CCSc1ccnc2cc(Cl)ccc21 ZINC001194731165 1035998514 /nfs/dbraw/zinc/99/85/14/1035998514.db2.gz BNNHVMBUMKUVRM-UHFFFAOYSA-N 1 1 304.846 3.935 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC001194763252 1036028029 /nfs/dbraw/zinc/02/80/29/1036028029.db2.gz CJRQCHNHULXYPE-MRXNPFEDSA-N 1 1 322.408 3.610 20 30 DHEDMO C=CCCC[C@H](C)[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000540297932 1036031991 /nfs/dbraw/zinc/03/19/91/1036031991.db2.gz SVBCVYKANLPKOQ-YOEHRIQHSA-N 1 1 304.409 3.608 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc(F)cc2C#N)C1 ZINC000540296668 1036032338 /nfs/dbraw/zinc/03/23/38/1036032338.db2.gz ANOQQLCNMKVFRI-KBXCAEBGSA-N 1 1 309.388 3.945 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC=C(c3cccnc3)C2)c(Cl)c1 ZINC001194772562 1036035546 /nfs/dbraw/zinc/03/55/46/1036035546.db2.gz PDYVIRPPMVCRCL-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC=C(c3cccnc3)C2)c(Cl)c1 ZINC001194772562 1036035567 /nfs/dbraw/zinc/03/55/67/1036035567.db2.gz PDYVIRPPMVCRCL-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO CCC[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000540349664 1036045207 /nfs/dbraw/zinc/04/52/07/1036045207.db2.gz FRBOQSAQQWPPJG-KBAYOESNSA-N 1 1 316.420 3.723 20 30 DHEDMO CCCCCCCCCCOC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001194929070 1036081451 /nfs/dbraw/zinc/08/14/51/1036081451.db2.gz NPRSZGURMAGBSP-UHFFFAOYSA-N 1 1 323.481 3.841 20 30 DHEDMO C#CCCCCCCCCC(=O)N1C[C@@H]2C[N@@H+](CCC)C[C@@H]2C1 ZINC001182186398 1036121245 /nfs/dbraw/zinc/12/12/45/1036121245.db2.gz JBUONUNAKIZAKD-KDURUIRLSA-N 1 1 318.505 3.541 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](CCF)C2)cc(OC)c1O ZINC000668592319 1036145331 /nfs/dbraw/zinc/14/53/31/1036145331.db2.gz JQMRAEIQZSDRRH-AWEZNQCLSA-N 1 1 307.409 3.701 20 30 DHEDMO C=CCC1(C(=O)NC[C@H]2CCCC[N@@H+]2CCCC)CCCC1 ZINC001626016101 1036184682 /nfs/dbraw/zinc/18/46/82/1036184682.db2.gz PZARSRIQMMEBFY-QGZVFWFLSA-N 1 1 306.494 3.894 20 30 DHEDMO COc1cccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1OC ZINC000487824437 1036185385 /nfs/dbraw/zinc/18/53/85/1036185385.db2.gz SWCUAOOAYRMELM-CQSZACIVSA-N 1 1 310.397 3.768 20 30 DHEDMO Cc1ccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1[N+](=O)[O-] ZINC000090117319 1036261700 /nfs/dbraw/zinc/26/17/00/1036261700.db2.gz OUAMXMQHPWRSIM-LBPRGKRZSA-N 1 1 313.332 3.765 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)Cc1ccsc1 ZINC000541218876 1036262973 /nfs/dbraw/zinc/26/29/73/1036262973.db2.gz SUUPCLXBBRVYOQ-OAHLLOKOSA-N 1 1 314.454 3.699 20 30 DHEDMO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774269796 1036269214 /nfs/dbraw/zinc/26/92/14/1036269214.db2.gz CLEYCXCFYBPCLD-VHSXEESVSA-N 1 1 304.217 3.534 20 30 DHEDMO COCC[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(C)o1 ZINC000541648107 1036393408 /nfs/dbraw/zinc/39/34/08/1036393408.db2.gz KRIALSSFDHLNNJ-KRWDZBQOSA-N 1 1 317.816 3.960 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C1CSC1 ZINC001195977409 1036398852 /nfs/dbraw/zinc/39/88/52/1036398852.db2.gz FMHVTGBLOAXTHA-UHFFFAOYSA-N 1 1 319.779 3.909 20 30 DHEDMO C#CC[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C1CSC1 ZINC001195977409 1036398866 /nfs/dbraw/zinc/39/88/66/1036398866.db2.gz FMHVTGBLOAXTHA-UHFFFAOYSA-N 1 1 319.779 3.909 20 30 DHEDMO C#CC[N@@H+](CCCOc1ccc2ccccc2c1)C1CSC1 ZINC001195977760 1036399057 /nfs/dbraw/zinc/39/90/57/1036399057.db2.gz IORPUZCGYNLMHU-UHFFFAOYSA-N 1 1 311.450 3.659 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C)c1Br)[C@@H](C)COC ZINC001196047677 1036426126 /nfs/dbraw/zinc/42/61/26/1036426126.db2.gz BESSRJBXZCQPDN-ZDUSSCGKSA-N 1 1 312.251 3.780 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C)c1Br)[C@@H](C)COC ZINC001196047677 1036426144 /nfs/dbraw/zinc/42/61/44/1036426144.db2.gz BESSRJBXZCQPDN-ZDUSSCGKSA-N 1 1 312.251 3.780 20 30 DHEDMO CC#CCCCCCCCC(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001182769848 1036454765 /nfs/dbraw/zinc/45/47/65/1036454765.db2.gz XWCUUTRSRIFTPV-SFHVURJKSA-N 1 1 306.494 3.682 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)CCCCCCCC#CC ZINC001182771976 1036454816 /nfs/dbraw/zinc/45/48/16/1036454816.db2.gz NKXOVPGTBUDXSY-SFHVURJKSA-N 1 1 304.478 3.507 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@H+]2Cc3ccccc3[C@H]2C)cc1 ZINC001196401917 1036521361 /nfs/dbraw/zinc/52/13/61/1036521361.db2.gz DWBWNAJIKDRTGG-OAHLLOKOSA-N 1 1 304.393 3.573 20 30 DHEDMO Cc1[nH+]ccn1CCCSCCCOc1cccc(C#N)c1 ZINC000271840961 1036567137 /nfs/dbraw/zinc/56/71/37/1036567137.db2.gz QXGVCCSSEVQRBO-UHFFFAOYSA-N 1 1 315.442 3.656 20 30 DHEDMO Cc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC001196832921 1036623436 /nfs/dbraw/zinc/62/34/36/1036623436.db2.gz ONJQWBDIZAGCMT-WFASDCNBSA-N 1 1 307.235 3.882 20 30 DHEDMO Cc1cc(Br)ccc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC001196832921 1036623455 /nfs/dbraw/zinc/62/34/55/1036623455.db2.gz ONJQWBDIZAGCMT-WFASDCNBSA-N 1 1 307.235 3.882 20 30 DHEDMO C=CCOCC[N@@H+]1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC001196842270 1036623474 /nfs/dbraw/zinc/62/34/74/1036623474.db2.gz QPGRISZFTZPHFA-DZGCQCFKSA-N 1 1 324.262 3.830 20 30 DHEDMO C=CCC[C@@H](CCC)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001183535157 1036623246 /nfs/dbraw/zinc/62/32/46/1036623246.db2.gz UOABRRUTAJOTIJ-LJQANCHMSA-N 1 1 315.505 3.663 20 30 DHEDMO C#CC[N@H+](Cc1cnc(-c2ccncc2)s1)Cc1ccccc1 ZINC000491748492 1036637579 /nfs/dbraw/zinc/63/75/79/1036637579.db2.gz FCOGTKVUNWVVCX-UHFFFAOYSA-N 1 1 319.433 3.841 20 30 DHEDMO C#CC[N@@H+](Cc1cnc(-c2ccncc2)s1)Cc1ccccc1 ZINC000491748492 1036637608 /nfs/dbraw/zinc/63/76/08/1036637608.db2.gz FCOGTKVUNWVVCX-UHFFFAOYSA-N 1 1 319.433 3.841 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000487303432 1036653883 /nfs/dbraw/zinc/65/38/83/1036653883.db2.gz APNNRPGJLJFAIS-WMLDXEAASA-N 1 1 300.446 3.675 20 30 DHEDMO C#CCOCC[N@@H+]1CCC[C@]1(C)Cc1ccc(Cl)c(F)c1 ZINC001197005066 1036666639 /nfs/dbraw/zinc/66/66/39/1036666639.db2.gz XTJCSKLARUUSHY-QGZVFWFLSA-N 1 1 309.812 3.526 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000774684193 1036678992 /nfs/dbraw/zinc/67/89/92/1036678992.db2.gz VPIRXOSFBJHVSG-JYJNAYRXSA-N 1 1 310.482 3.966 20 30 DHEDMO C=CCn1c(=S)n(C[N@@H+]2CCC[C@@H]2C2CCC2)nc1C1CC1 ZINC000102886175 1036770171 /nfs/dbraw/zinc/77/01/71/1036770171.db2.gz QEPFWUYDODQDEW-OAHLLOKOSA-N 1 1 318.490 3.699 20 30 DHEDMO C=CCn1c(=S)n(C[N@H+]2CCC[C@@H]2C2CCC2)nc1C1CC1 ZINC000102886175 1036770188 /nfs/dbraw/zinc/77/01/88/1036770188.db2.gz QEPFWUYDODQDEW-OAHLLOKOSA-N 1 1 318.490 3.699 20 30 DHEDMO C=CCn1c(=S)n(C[N@@H+]2CCC[C@H]2C2CCC2)nc1C1CC1 ZINC000102886176 1036770979 /nfs/dbraw/zinc/77/09/79/1036770979.db2.gz QEPFWUYDODQDEW-HNNXBMFYSA-N 1 1 318.490 3.699 20 30 DHEDMO C=CCn1c(=S)n(C[N@H+]2CCC[C@H]2C2CCC2)nc1C1CC1 ZINC000102886176 1036771002 /nfs/dbraw/zinc/77/10/02/1036771002.db2.gz QEPFWUYDODQDEW-HNNXBMFYSA-N 1 1 318.490 3.699 20 30 DHEDMO Cc1cc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)ccc1C#N ZINC000488113420 1036861098 /nfs/dbraw/zinc/86/10/98/1036861098.db2.gz JNUHPWQGZXHOQB-NRFANRHFSA-N 1 1 320.436 3.640 20 30 DHEDMO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)c(C)c1)CC2 ZINC000488132650 1036865472 /nfs/dbraw/zinc/86/54/72/1036865472.db2.gz VPUANGPLFXUKIG-UHFFFAOYSA-N 1 1 318.420 3.670 20 30 DHEDMO C[C@@H]1CN(CC#Cc2cccc(Cl)c2)CC[N@H+]1C1CCCC1 ZINC001197796734 1036874843 /nfs/dbraw/zinc/87/48/43/1036874843.db2.gz FYBVVHWJZAMWRV-MRXNPFEDSA-N 1 1 316.876 3.640 20 30 DHEDMO Cc1cc(CN2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1C#N ZINC000488217468 1036900943 /nfs/dbraw/zinc/90/09/43/1036900943.db2.gz JNLPUTLDFBNQML-QKLQHJQFSA-N 1 1 311.473 3.704 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000122587310 1036902203 /nfs/dbraw/zinc/90/22/03/1036902203.db2.gz CCJVSHGNEJWRJC-LJQANCHMSA-N 1 1 315.388 3.556 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(OC)cc1Br)C(C)(C)C ZINC001197936964 1036911594 /nfs/dbraw/zinc/91/15/94/1036911594.db2.gz DZELNVQSRDBTTP-UHFFFAOYSA-N 1 1 310.235 3.691 20 30 DHEDMO C#CC[N@H+](Cc1ccc(OC)cc1Br)C(C)(C)C ZINC001197936964 1036911602 /nfs/dbraw/zinc/91/16/02/1036911602.db2.gz DZELNVQSRDBTTP-UHFFFAOYSA-N 1 1 310.235 3.691 20 30 DHEDMO CC(C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492630542 1036946644 /nfs/dbraw/zinc/94/66/44/1036946644.db2.gz NKNWDKIFLLBHJP-ZDUSSCGKSA-N 1 1 307.235 3.799 20 30 DHEDMO C#C[C@@H]1CCCC[N@@H+]1CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198527200 1037050019 /nfs/dbraw/zinc/05/00/19/1037050019.db2.gz YYMFUCKVNKMIEH-IAGOWNOFSA-N 1 1 320.477 3.511 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001198563135 1037059238 /nfs/dbraw/zinc/05/92/38/1037059238.db2.gz IIFQLHCYXDNVKL-QZTJIDSGSA-N 1 1 317.860 3.830 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000488553670 1037070664 /nfs/dbraw/zinc/07/06/64/1037070664.db2.gz LPLQGMUAAMYEGB-UONOGXRCSA-N 1 1 308.853 3.804 20 30 DHEDMO COc1ccc(CNc2c(C)cc([NH+](C)C)cc2C)cc1C#N ZINC000152372384 1037086242 /nfs/dbraw/zinc/08/62/42/1037086242.db2.gz VMDZJQJMXXGBIL-UHFFFAOYSA-N 1 1 309.413 3.862 20 30 DHEDMO CC[N@H+](Cc1ccc(C#N)c(C)c1)C[C@H](O)c1ccc(C)cc1 ZINC000774910224 1037202977 /nfs/dbraw/zinc/20/29/77/1037202977.db2.gz UKARIGNOOGPSQZ-FQEVSTJZSA-N 1 1 308.425 3.731 20 30 DHEDMO Cc1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)ccc1C#N ZINC000774911503 1037205247 /nfs/dbraw/zinc/20/52/47/1037205247.db2.gz HEVDPTUHZKOHED-MSOLQXFVSA-N 1 1 310.397 3.548 20 30 DHEDMO CC[C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000178091997 1037293494 /nfs/dbraw/zinc/29/34/94/1037293494.db2.gz YKLYODABIABXQT-CQSZACIVSA-N 1 1 321.852 3.625 20 30 DHEDMO Cc1cc(C#N)cc(C)c1CNC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001199638963 1037295685 /nfs/dbraw/zinc/29/56/85/1037295685.db2.gz IRQHIQVIPMPSKG-MGPUTAFESA-N 1 1 313.489 3.775 20 30 DHEDMO Cc1cc(C#N)cc(C)c1CNCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001199743569 1037324411 /nfs/dbraw/zinc/32/44/11/1037324411.db2.gz WZQBIYUUCMPEPG-OAHLLOKOSA-N 1 1 313.489 3.775 20 30 DHEDMO Cc1cc(C#N)cc(C)c1CNCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001199743569 1037324426 /nfs/dbraw/zinc/32/44/26/1037324426.db2.gz WZQBIYUUCMPEPG-OAHLLOKOSA-N 1 1 313.489 3.775 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(Br)cc1)CC1(C#N)CC1 ZINC000347450843 1037368385 /nfs/dbraw/zinc/36/83/85/1037368385.db2.gz BADXLDWQKARHFA-UHFFFAOYSA-N 1 1 307.235 3.963 20 30 DHEDMO CCCCCCC[C@H](C)CNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000776041845 1037383050 /nfs/dbraw/zinc/38/30/50/1037383050.db2.gz MBZXRECASCVMCX-INIZCTEOSA-N 1 1 309.498 3.544 20 30 DHEDMO CCCCCCC[C@@H](C)CNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000776041851 1037391082 /nfs/dbraw/zinc/39/10/82/1037391082.db2.gz MBZXRECASCVMCX-MRXNPFEDSA-N 1 1 309.498 3.544 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000489412273 1037414956 /nfs/dbraw/zinc/41/49/56/1037414956.db2.gz XDFOONQQPMSJSU-AWEZNQCLSA-N 1 1 303.793 3.931 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000489412273 1037414960 /nfs/dbraw/zinc/41/49/60/1037414960.db2.gz XDFOONQQPMSJSU-AWEZNQCLSA-N 1 1 303.793 3.931 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000489426775 1037423980 /nfs/dbraw/zinc/42/39/80/1037423980.db2.gz CKHFQJORNYPVMA-HZPDHXFCSA-N 1 1 313.363 3.649 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000489471098 1037449237 /nfs/dbraw/zinc/44/92/37/1037449237.db2.gz DHWKHDBKXVBZJA-OAHLLOKOSA-N 1 1 317.820 3.581 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000489487049 1037460481 /nfs/dbraw/zinc/46/04/81/1037460481.db2.gz ZXRLXHGTVQFEGM-MJGOQNOKSA-N 1 1 301.430 3.785 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000489485261 1037460710 /nfs/dbraw/zinc/46/07/10/1037460710.db2.gz VCPOJVKPIROPKP-AWEZNQCLSA-N 1 1 322.836 3.718 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000489501190 1037462234 /nfs/dbraw/zinc/46/22/34/1037462234.db2.gz UBXNVDRWDIUODI-HNNXBMFYSA-N 1 1 317.820 3.973 20 30 DHEDMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCCC(C)(C)C#N ZINC000493949277 1037602965 /nfs/dbraw/zinc/60/29/65/1037602965.db2.gz OXUWTGLBAKJCLZ-GJZGRUSLSA-N 1 1 323.481 3.551 20 30 DHEDMO Cc1ccc(C[N@@H+](CC#Cc2ccc(F)cc2)CC2CC2)cn1 ZINC000646019791 1037635927 /nfs/dbraw/zinc/63/59/27/1037635927.db2.gz AEHNJCAFLQKXHA-UHFFFAOYSA-N 1 1 308.400 3.793 20 30 DHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000916152397 1037705985 /nfs/dbraw/zinc/70/59/85/1037705985.db2.gz QIQLHABNDKVERN-HUUCEWRRSA-N 1 1 319.408 3.505 20 30 DHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000916152397 1037706001 /nfs/dbraw/zinc/70/60/01/1037706001.db2.gz QIQLHABNDKVERN-HUUCEWRRSA-N 1 1 319.408 3.505 20 30 DHEDMO C=CCOC(=O)N1CCC2(CCC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001201500175 1037718967 /nfs/dbraw/zinc/71/89/67/1037718967.db2.gz XVEZGUPAFHHSEC-INIZCTEOSA-N 1 1 308.466 3.533 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(CCCC)cc1 ZINC001187749125 1037721236 /nfs/dbraw/zinc/72/12/36/1037721236.db2.gz OBSYGFWRDYARTC-SFHVURJKSA-N 1 1 315.461 3.801 20 30 DHEDMO CCC[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000490541626 1037733673 /nfs/dbraw/zinc/73/36/73/1037733673.db2.gz IWQNORZIHYNJQB-KRWDZBQOSA-N 1 1 322.456 3.971 20 30 DHEDMO Cc1nc(C#N)c(N=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC001201474742 1037736938 /nfs/dbraw/zinc/73/69/38/1037736938.db2.gz LLROOYHYCNOIHH-SJORKVTESA-N 1 1 320.396 3.587 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H](C)CCC)[C@@H]2CC ZINC001201542843 1037750067 /nfs/dbraw/zinc/75/00/67/1037750067.db2.gz MEYWPHSJNPLUIJ-SCTDSRPQSA-N 1 1 306.494 3.844 20 30 DHEDMO Cc1[nH+]ccn1Cc1ccc(Nc2ccc(C#N)cc2F)cc1 ZINC001201569485 1037787123 /nfs/dbraw/zinc/78/71/23/1037787123.db2.gz GPVPUZRFRWFVKJ-UHFFFAOYSA-N 1 1 306.344 3.994 20 30 DHEDMO COc1ccc(C#N)cc1Nc1ccc(Cn2cc[nH+]c2C)cc1 ZINC001201583821 1037791153 /nfs/dbraw/zinc/79/11/53/1037791153.db2.gz CWCVTXAWSRNMCN-UHFFFAOYSA-N 1 1 318.380 3.864 20 30 DHEDMO CCCCCCCCCCCC[N@H+]1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001201631063 1037799223 /nfs/dbraw/zinc/79/92/23/1037799223.db2.gz LPPVNWIGKMZSPY-RTBURBONSA-N 1 1 313.526 3.973 20 30 DHEDMO N#Cc1cccc(O[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC001201606215 1037805281 /nfs/dbraw/zinc/80/52/81/1037805281.db2.gz PRMYCECIVFSDOP-FQEVSTJZSA-N 1 1 306.409 3.644 20 30 DHEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763413284 1037834572 /nfs/dbraw/zinc/83/45/72/1037834572.db2.gz JGVZEOUNXMRQGK-MAODMQOUSA-N 1 1 320.436 3.545 20 30 DHEDMO CCCOc1ccc(C[NH+]2CCC(C#N)CC2)c(OCCC)c1 ZINC000123656207 1037861060 /nfs/dbraw/zinc/86/10/60/1037861060.db2.gz WEBMHDBAFBIDIS-UHFFFAOYSA-N 1 1 316.445 4.000 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC001201762449 1037885009 /nfs/dbraw/zinc/88/50/09/1037885009.db2.gz LIYDOLJHVUDSGW-LJQANCHMSA-N 1 1 316.493 3.739 20 30 DHEDMO CCCCCCC[N@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001201798295 1037896972 /nfs/dbraw/zinc/89/69/72/1037896972.db2.gz UQGQIWHHTRIACP-NSHDSACASA-N 1 1 304.360 3.644 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001201798295 1037896991 /nfs/dbraw/zinc/89/69/91/1037896991.db2.gz UQGQIWHHTRIACP-NSHDSACASA-N 1 1 304.360 3.644 20 30 DHEDMO CCCCCCCC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC001201804506 1037901980 /nfs/dbraw/zinc/90/19/80/1037901980.db2.gz MSLYBFIRYLIBTF-DLBZAZTESA-N 1 1 302.462 3.628 20 30 DHEDMO CCCCCCC[N@H+]1CCCn2cnc(Cn3cccc3)c2C1 ZINC001201776376 1037903638 /nfs/dbraw/zinc/90/36/38/1037903638.db2.gz DAQWACUGSQQWSQ-UHFFFAOYSA-N 1 1 314.477 3.909 20 30 DHEDMO CCCCCCC[N@H+]1CCCn2cnc(COCC3CC3)c2C1 ZINC001201777242 1037904946 /nfs/dbraw/zinc/90/49/46/1037904946.db2.gz ULLUOZIGFHSYBX-UHFFFAOYSA-N 1 1 319.493 3.986 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@H]2O[C@H](c3nc(C)no3)CC[C@H]21 ZINC001201776338 1037905016 /nfs/dbraw/zinc/90/50/16/1037905016.db2.gz BZVGYQSRTSMNIT-OAGGEKHMSA-N 1 1 307.438 3.643 20 30 DHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCO[C@@H](C)C1 ZINC000491088568 1037908932 /nfs/dbraw/zinc/90/89/32/1037908932.db2.gz AYEPQLGXTCSMMQ-QFBILLFUSA-N 1 1 300.446 3.831 20 30 DHEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000775177536 1037920653 /nfs/dbraw/zinc/92/06/53/1037920653.db2.gz AXTFXXPMLXGPOG-INIZCTEOSA-N 1 1 309.409 3.728 20 30 DHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000491127529 1037922034 /nfs/dbraw/zinc/92/20/34/1037922034.db2.gz ANCZGRGBIWOCSS-HNNXBMFYSA-N 1 1 309.331 3.669 20 30 DHEDMO CCCCCCCCC[N@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001201847689 1037922029 /nfs/dbraw/zinc/92/20/29/1037922029.db2.gz ZIJUUUYUJKDSJS-NNZMDNLPSA-N 1 1 320.521 3.974 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2cc(OC)c(OC)cc2O)CCCC1(C)C ZINC000775180240 1037938848 /nfs/dbraw/zinc/93/88/48/1037938848.db2.gz WICABSWYPPFGJZ-SFHVURJKSA-N 1 1 319.445 3.976 20 30 DHEDMO N#Cc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)ccn1 ZINC000586776469 1037950366 /nfs/dbraw/zinc/95/03/66/1037950366.db2.gz CWLRPLCFRPIITD-VAMGGRTRSA-N 1 1 303.409 3.721 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000586781610 1037965646 /nfs/dbraw/zinc/96/56/46/1037965646.db2.gz FXULTYOJSZRYAD-UHFFFAOYSA-N 1 1 322.408 3.588 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000586781610 1037965656 /nfs/dbraw/zinc/96/56/56/1037965656.db2.gz FXULTYOJSZRYAD-UHFFFAOYSA-N 1 1 322.408 3.588 20 30 DHEDMO C=CCCC[N@H+](C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000126066486 1038029876 /nfs/dbraw/zinc/02/98/76/1038029876.db2.gz OEZHQDBTZXLMCS-HNNXBMFYSA-N 1 1 301.352 3.507 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(O)c(OC)c1 ZINC000163970436 1038030353 /nfs/dbraw/zinc/03/03/53/1038030353.db2.gz GANCOMOJBOSFGD-UHFFFAOYSA-N 1 1 322.408 3.633 20 30 DHEDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(C)(C)CCC#N ZINC000494362643 1038064217 /nfs/dbraw/zinc/06/42/17/1038064217.db2.gz ISWPLGLXZLJTFX-CABCVRRESA-N 1 1 323.481 3.551 20 30 DHEDMO C=CCc1cc(C[N@H+](CCC#N)CCC(C)C)c(O)c(OC)c1 ZINC000164290579 1038152961 /nfs/dbraw/zinc/15/29/61/1038152961.db2.gz VZWAKJAKKNHDLP-UHFFFAOYSA-N 1 1 316.445 3.891 20 30 DHEDMO C=CCc1cc(C[N@@H+](CCC#N)CCC(C)C)c(O)c(OC)c1 ZINC000164290579 1038152969 /nfs/dbraw/zinc/15/29/69/1038152969.db2.gz VZWAKJAKKNHDLP-UHFFFAOYSA-N 1 1 316.445 3.891 20 30 DHEDMO C[NH+](C)[C@@H](CNC(=O)CCCCCC#N)c1ccccc1Cl ZINC000588248575 1038275374 /nfs/dbraw/zinc/27/53/74/1038275374.db2.gz RDNOYUWASBXBBW-INIZCTEOSA-N 1 1 321.852 3.533 20 30 DHEDMO COCC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1ccccn1 ZINC000588211950 1038276934 /nfs/dbraw/zinc/27/69/34/1038276934.db2.gz QFYOAHDBBKBITL-UHFFFAOYSA-N 1 1 323.440 3.531 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1ccccn1 ZINC000588211950 1038276941 /nfs/dbraw/zinc/27/69/41/1038276941.db2.gz QFYOAHDBBKBITL-UHFFFAOYSA-N 1 1 323.440 3.531 20 30 DHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCC[C@H]1O ZINC001190616677 1038346412 /nfs/dbraw/zinc/34/64/12/1038346412.db2.gz PUKLDRSBOWUQOC-RTBURBONSA-N 1 1 300.446 3.567 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)c(Br)c1 ZINC000588978362 1038415352 /nfs/dbraw/zinc/41/53/52/1038415352.db2.gz WGQPBVDESLZVTA-AWEZNQCLSA-N 1 1 319.246 3.943 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000589272788 1038456114 /nfs/dbraw/zinc/45/61/14/1038456114.db2.gz WREADEGWAYTRJJ-QZTJIDSGSA-N 1 1 312.457 3.877 20 30 DHEDMO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc(C#N)cc1C)C2 ZINC000589300656 1038456668 /nfs/dbraw/zinc/45/66/68/1038456668.db2.gz MMWSQKQFAGDJGS-UHFFFAOYSA-N 1 1 318.420 3.923 20 30 DHEDMO CCC1CCC([N@@H+](C)CCOc2ccc(C#N)cc2OC)CC1 ZINC001191409856 1038499808 /nfs/dbraw/zinc/49/98/08/1038499808.db2.gz XDBMAPOYEFJJQO-UHFFFAOYSA-N 1 1 316.445 3.846 20 30 DHEDMO C=CCOc1ccc(CNCC[NH+]2CCC(C)CC2)cc1Cl ZINC000589640823 1038525569 /nfs/dbraw/zinc/52/55/69/1038525569.db2.gz RRZSPGMCLSCYEY-UHFFFAOYSA-N 1 1 322.880 3.726 20 30 DHEDMO CCC1(CC)[C@H]([N@@H+](C)CCc2ccc(C#N)cc2)C[C@@H]1OC ZINC001191743954 1038541284 /nfs/dbraw/zinc/54/12/84/1038541284.db2.gz XJXSBRNGWRHNFE-MSOLQXFVSA-N 1 1 300.446 3.626 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001191910758 1038561495 /nfs/dbraw/zinc/56/14/95/1038561495.db2.gz RRMYUWRIZSKPPF-JKSUJKDBSA-N 1 1 310.482 3.968 20 30 DHEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H](O)Cc1ccccc1 ZINC000590120116 1038585953 /nfs/dbraw/zinc/58/59/53/1038585953.db2.gz WYDOXOQGVSPCHZ-FQEVSTJZSA-N 1 1 322.452 3.523 20 30 DHEDMO N#C[C@@H]1CC[C@H]([NH+]2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)C1 ZINC000590155855 1038593850 /nfs/dbraw/zinc/59/38/50/1038593850.db2.gz KMZRVUMMJPXYDX-DBIOUOCHSA-N 1 1 314.273 3.741 20 30 DHEDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000590203677 1038602742 /nfs/dbraw/zinc/60/27/42/1038602742.db2.gz CHYPYKNMJOMTGF-HXUWFJFHSA-N 1 1 314.473 3.718 20 30 DHEDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000590178823 1038606853 /nfs/dbraw/zinc/60/68/53/1038606853.db2.gz WVUPCBMATGREGL-GOSISDBHSA-N 1 1 308.429 3.810 20 30 DHEDMO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000590178823 1038606858 /nfs/dbraw/zinc/60/68/58/1038606858.db2.gz WVUPCBMATGREGL-GOSISDBHSA-N 1 1 308.429 3.810 20 30 DHEDMO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001192302874 1038632042 /nfs/dbraw/zinc/63/20/42/1038632042.db2.gz NFMCGIUZPTVWEK-JZKQVHKSSA-N 1 1 324.399 3.739 20 30 DHEDMO C=CCCCC[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000572931173 1038654088 /nfs/dbraw/zinc/65/40/88/1038654088.db2.gz YRCMJSQYEMFJCQ-LSDHHAIUSA-N 1 1 305.422 3.804 20 30 DHEDMO C=CCCCC[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000572931173 1038654101 /nfs/dbraw/zinc/65/41/01/1038654101.db2.gz YRCMJSQYEMFJCQ-LSDHHAIUSA-N 1 1 305.422 3.804 20 30 DHEDMO CN(C)C(=O)c1cccc(C[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000775551252 1038706262 /nfs/dbraw/zinc/70/62/62/1038706262.db2.gz VIEWIAGOONSISG-LJQANCHMSA-N 1 1 321.424 3.523 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(n1)CCC2 ZINC000590951482 1038732034 /nfs/dbraw/zinc/73/20/34/1038732034.db2.gz UZOAFBNIBVTIEN-UHFFFAOYSA-N 1 1 305.425 3.853 20 30 DHEDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000591022849 1038750004 /nfs/dbraw/zinc/75/00/04/1038750004.db2.gz IMUPYUZWJLEYRL-INIZCTEOSA-N 1 1 320.477 3.762 20 30 DHEDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000591475620 1038898786 /nfs/dbraw/zinc/89/87/86/1038898786.db2.gz YCMFZJRMHUPRNO-IBGZPJMESA-N 1 1 309.388 3.690 20 30 DHEDMO CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)o2)c2cc(F)ccc2O1 ZINC000593673315 1039033408 /nfs/dbraw/zinc/03/34/08/1039033408.db2.gz FAZQQZGTOOQXBP-HNNXBMFYSA-N 1 1 300.333 3.682 20 30 DHEDMO Cc1ccc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)cc1C#N ZINC000599278789 1039108584 /nfs/dbraw/zinc/10/85/84/1039108584.db2.gz HNBYVTIYBBTGMZ-FQEVSTJZSA-N 1 1 306.409 3.613 20 30 DHEDMO Cc1ccc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cc1C#N ZINC000599270196 1039109692 /nfs/dbraw/zinc/10/96/92/1039109692.db2.gz CFGBZAOCAKMIEC-LJQANCHMSA-N 1 1 310.397 3.641 20 30 DHEDMO Cc1ccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)cc1C#N ZINC000599270196 1039109698 /nfs/dbraw/zinc/10/96/98/1039109698.db2.gz CFGBZAOCAKMIEC-LJQANCHMSA-N 1 1 310.397 3.641 20 30 DHEDMO Cc1ccc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)cc1C#N ZINC000599307114 1039114661 /nfs/dbraw/zinc/11/46/61/1039114661.db2.gz LWQCJDPRISWZPV-OAQYLSRUSA-N 1 1 320.436 3.739 20 30 DHEDMO COc1cccc(C[N@@H+](Cc2ccncc2C#N)CC(C)C)c1 ZINC000592068060 1039115259 /nfs/dbraw/zinc/11/52/59/1039115259.db2.gz HNCLXEIGGBXZGX-UHFFFAOYSA-N 1 1 309.413 3.620 20 30 DHEDMO COc1cccc(C[N@H+](Cc2ccncc2C#N)CC(C)C)c1 ZINC000592068060 1039115265 /nfs/dbraw/zinc/11/52/65/1039115265.db2.gz HNCLXEIGGBXZGX-UHFFFAOYSA-N 1 1 309.413 3.620 20 30 DHEDMO CC(C)C[N@@H+](CCC[C@H]1CCOC1)Cc1ccc(C#N)cc1 ZINC000592068154 1039116839 /nfs/dbraw/zinc/11/68/39/1039116839.db2.gz RAQJQYRQUYWBOW-IBGZPJMESA-N 1 1 300.446 3.833 20 30 DHEDMO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000592155735 1039130523 /nfs/dbraw/zinc/13/05/23/1039130523.db2.gz AFVPAVPWQPASOU-QRWLVFNGSA-N 1 1 324.399 3.854 20 30 DHEDMO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000592155735 1039130530 /nfs/dbraw/zinc/13/05/30/1039130530.db2.gz AFVPAVPWQPASOU-QRWLVFNGSA-N 1 1 324.399 3.854 20 30 DHEDMO CCCC[N@@H+](CCCSCC#N)[C@@H]1CCc2ncsc2C1 ZINC000592188460 1039134235 /nfs/dbraw/zinc/13/42/35/1039134235.db2.gz PGQNGDMXEMCTGM-CQSZACIVSA-N 1 1 323.531 3.749 20 30 DHEDMO CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599388416 1039146124 /nfs/dbraw/zinc/14/61/24/1039146124.db2.gz GYBRFDROMPTTLR-UHFFFAOYSA-N 1 1 310.445 3.538 20 30 DHEDMO COc1cc(C[NH2+]C2(c3ccccc3Cl)CC2)ccc1C#N ZINC000592372845 1039168784 /nfs/dbraw/zinc/16/87/84/1039168784.db2.gz VKWDJPHPWGFCFT-UHFFFAOYSA-N 1 1 312.800 3.999 20 30 DHEDMO C[C@@H]1CC2(C[N@H+]1Cc1ccc(Cl)cc1C#N)CCOCC2 ZINC000592185347 1039172953 /nfs/dbraw/zinc/17/29/53/1039172953.db2.gz XWHPOXUYXSGRJI-CYBMUJFWSA-N 1 1 304.821 3.603 20 30 DHEDMO COc1ccc([C@H](C)[N@@H+](C)CCOc2cccc(C#N)c2)cc1 ZINC000603837317 1039175951 /nfs/dbraw/zinc/17/59/51/1039175951.db2.gz AJEZVMVNYIKLBT-HNNXBMFYSA-N 1 1 310.397 3.639 20 30 DHEDMO CCCCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C(C)C ZINC000603845750 1039181456 /nfs/dbraw/zinc/18/14/56/1039181456.db2.gz PCTKNVCVXBIMNW-UHFFFAOYSA-N 1 1 307.482 3.572 20 30 DHEDMO N#CCSCCC[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599516913 1039186642 /nfs/dbraw/zinc/18/66/42/1039186642.db2.gz ZOYIQJBJPBFUPU-CQSZACIVSA-N 1 1 310.413 3.791 20 30 DHEDMO COc1ccccc1C[N@@H+](CCOc1ccc(C#N)cc1)C1CC1 ZINC000603857775 1039191346 /nfs/dbraw/zinc/19/13/46/1039191346.db2.gz RDDKHXLTBROKGN-UHFFFAOYSA-N 1 1 322.408 3.610 20 30 DHEDMO COc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCCC#N ZINC000599573053 1039217614 /nfs/dbraw/zinc/21/76/14/1039217614.db2.gz LVRHXRRKSGGGPU-CQSZACIVSA-N 1 1 323.234 3.898 20 30 DHEDMO COc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCCC#N ZINC000599573053 1039217625 /nfs/dbraw/zinc/21/76/25/1039217625.db2.gz LVRHXRRKSGGGPU-CQSZACIVSA-N 1 1 323.234 3.898 20 30 DHEDMO CC[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@H](C)C#N ZINC000171064996 1039225261 /nfs/dbraw/zinc/22/52/61/1039225261.db2.gz PLVUNURZJSRUEU-CYBMUJFWSA-N 1 1 312.413 3.999 20 30 DHEDMO COC(=O)[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)[C@H]2CCC[C@H]21 ZINC000599646229 1039247148 /nfs/dbraw/zinc/24/71/48/1039247148.db2.gz HGIIKHITYPFBIL-BBWFWOEESA-N 1 1 318.461 3.514 20 30 DHEDMO CC(C)(C)OCCCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676555 1039254693 /nfs/dbraw/zinc/25/46/93/1039254693.db2.gz BLEKDUQRVCOIOM-UHFFFAOYSA-N 1 1 300.446 3.706 20 30 DHEDMO C/C=C\C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000599692806 1039261428 /nfs/dbraw/zinc/26/14/28/1039261428.db2.gz XWMCPDHYHMHSMC-MYIWKSEUSA-N 1 1 311.429 3.563 20 30 DHEDMO COC[C@H](C)[N@@H+](CCCSCC#N)[C@H]1CCc2ccccc21 ZINC000599684136 1039269657 /nfs/dbraw/zinc/26/96/57/1039269657.db2.gz VKWCBMGQPLBNEN-YJBOKZPZSA-N 1 1 318.486 3.658 20 30 DHEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N(CCC#N)CC(CC)CC ZINC000592758103 1039284048 /nfs/dbraw/zinc/28/40/48/1039284048.db2.gz GUNZMRQCERGPGL-OAHLLOKOSA-N 1 1 318.465 3.575 20 30 DHEDMO CCCn1c(C)cc(C(=O)C[NH+]2CCC(CCC#N)CC2)c1C ZINC000574036558 1039390171 /nfs/dbraw/zinc/39/01/71/1039390171.db2.gz VJRSBGWQDYOWHK-UHFFFAOYSA-N 1 1 315.461 3.713 20 30 DHEDMO CC[C@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1cccc(C#N)c1 ZINC000604494611 1039485701 /nfs/dbraw/zinc/48/57/01/1039485701.db2.gz GZRWQSYFLGFXIR-AWEZNQCLSA-N 1 1 302.418 3.500 20 30 DHEDMO CC[C@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc(C#N)c1 ZINC000604494611 1039485704 /nfs/dbraw/zinc/48/57/04/1039485704.db2.gz GZRWQSYFLGFXIR-AWEZNQCLSA-N 1 1 302.418 3.500 20 30 DHEDMO C=CCNC(=O)C[N@@H+](C)Cc1c(CCCC)oc2ccccc21 ZINC000061799398 1039561010 /nfs/dbraw/zinc/56/10/10/1039561010.db2.gz GISIAFHKGPLMDD-UHFFFAOYSA-N 1 1 314.429 3.509 20 30 DHEDMO C=CCNC(=O)C[N@H+](C)Cc1c(CCCC)oc2ccccc21 ZINC000061799398 1039561018 /nfs/dbraw/zinc/56/10/18/1039561018.db2.gz GISIAFHKGPLMDD-UHFFFAOYSA-N 1 1 314.429 3.509 20 30 DHEDMO COc1cc(Br)ccc1C[NH2+]CC1(C#N)CCCC1 ZINC000593653559 1039580548 /nfs/dbraw/zinc/58/05/48/1039580548.db2.gz QBNTZKUZIOVBPE-UHFFFAOYSA-N 1 1 323.234 3.631 20 30 DHEDMO CCOC(=O)[C@H]([NH2+]CCCC(C)(C)C#N)C1CCCCCC1 ZINC000594047316 1039673788 /nfs/dbraw/zinc/67/37/88/1039673788.db2.gz LKBZXOYSVNECBO-MRXNPFEDSA-N 1 1 308.466 3.808 20 30 DHEDMO C=CCCC[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000605740684 1039744505 /nfs/dbraw/zinc/74/45/05/1039744505.db2.gz MIOQRDLKZVMHGC-CYBMUJFWSA-N 1 1 318.244 3.631 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCCCC#N)CC1 ZINC000594320723 1039749032 /nfs/dbraw/zinc/74/90/32/1039749032.db2.gz ZJFALLZABCYTQT-KRWDZBQOSA-N 1 1 319.493 3.573 20 30 DHEDMO CC(C)[N@@H+]1CCC[C@@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594497807 1039800467 /nfs/dbraw/zinc/80/04/67/1039800467.db2.gz GQQFIAHEVOUVOC-SFHVURJKSA-N 1 1 313.489 3.698 20 30 DHEDMO CC(C)[N@H+]1CCC[C@@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594497807 1039800484 /nfs/dbraw/zinc/80/04/84/1039800484.db2.gz GQQFIAHEVOUVOC-SFHVURJKSA-N 1 1 313.489 3.698 20 30 DHEDMO CCC[N@@H+](CC)C[C@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594521426 1039828522 /nfs/dbraw/zinc/82/85/22/1039828522.db2.gz QZUCOJHKJCZIIN-INIZCTEOSA-N 1 1 301.478 3.698 20 30 DHEDMO CCCN(CC)C[C@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594521426 1039828549 /nfs/dbraw/zinc/82/85/49/1039828549.db2.gz QZUCOJHKJCZIIN-INIZCTEOSA-N 1 1 301.478 3.698 20 30 DHEDMO Cc1[nH+]cn(CCCCc2noc(CCCCCC#N)n2)c1C ZINC000594535157 1039837576 /nfs/dbraw/zinc/83/75/76/1039837576.db2.gz VADMNTGSTFTAMA-UHFFFAOYSA-N 1 1 315.421 3.532 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000606435154 1039877078 /nfs/dbraw/zinc/87/70/78/1039877078.db2.gz LFZMYLHQBVSXNK-QZTJIDSGSA-N 1 1 314.473 3.597 20 30 DHEDMO C[C@@H](CNCc1ccc(C2(C#N)CC2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000594926679 1039928976 /nfs/dbraw/zinc/92/89/76/1039928976.db2.gz VDAJEWVOJDXIDQ-SJORKVTESA-N 1 1 311.473 3.594 20 30 DHEDMO C[C@@H](CNCc1ccc(C2(C#N)CC2)cc1)[N@H+]1CCCC[C@H]1C ZINC000594926679 1039928996 /nfs/dbraw/zinc/92/89/96/1039928996.db2.gz VDAJEWVOJDXIDQ-SJORKVTESA-N 1 1 311.473 3.594 20 30 DHEDMO C[C@H](CNCc1ccc(C2(C#N)CC2)cc1)[N@@H+]1CCCC[C@H]1C ZINC000594926675 1039929908 /nfs/dbraw/zinc/92/99/08/1039929908.db2.gz VDAJEWVOJDXIDQ-IAGOWNOFSA-N 1 1 311.473 3.594 20 30 DHEDMO C[C@H](CNCc1ccc(C2(C#N)CC2)cc1)[N@H+]1CCCC[C@H]1C ZINC000594926675 1039929917 /nfs/dbraw/zinc/92/99/17/1039929917.db2.gz VDAJEWVOJDXIDQ-IAGOWNOFSA-N 1 1 311.473 3.594 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c(Cl)c1 ZINC000594020240 1039948277 /nfs/dbraw/zinc/94/82/77/1039948277.db2.gz DQNXVVITCBIWGZ-INIZCTEOSA-N 1 1 304.821 3.745 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)c(Cl)c1 ZINC000594020240 1039948290 /nfs/dbraw/zinc/94/82/90/1039948290.db2.gz DQNXVVITCBIWGZ-INIZCTEOSA-N 1 1 304.821 3.745 20 30 DHEDMO C=CC(C)(C)CC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001127166148 1039951205 /nfs/dbraw/zinc/95/12/05/1039951205.db2.gz VCDIPXKYLWKBQS-IAGOWNOFSA-N 1 1 314.473 3.710 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000059374634 1039956362 /nfs/dbraw/zinc/95/63/62/1039956362.db2.gz UPUIZXMNTFSUOG-IBGZPJMESA-N 1 1 310.372 3.913 20 30 DHEDMO C[C@H](CCNCc1ccc(C2(C#N)CC2)cc1)[NH+]1CCCCC1 ZINC000594944777 1039960767 /nfs/dbraw/zinc/96/07/67/1039960767.db2.gz WIRDSZUZKMELQL-QGZVFWFLSA-N 1 1 311.473 3.596 20 30 DHEDMO N#CC1(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CCCCC1 ZINC000594981391 1039994922 /nfs/dbraw/zinc/99/49/22/1039994922.db2.gz NZONQCSXIMQIDG-UHFFFAOYSA-N 1 1 312.392 3.575 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)NC1(c2ccccc2)CCC1 ZINC000606902273 1040026311 /nfs/dbraw/zinc/02/63/11/1040026311.db2.gz PFYYIOWCLFTJQK-UHFFFAOYSA-N 1 1 314.473 3.860 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000606902678 1040027113 /nfs/dbraw/zinc/02/71/13/1040027113.db2.gz OXFDTWVWXBVSOT-UHFFFAOYSA-N 1 1 300.446 3.644 20 30 DHEDMO C=CCCCCCN(C)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000606923713 1040043016 /nfs/dbraw/zinc/04/30/16/1040043016.db2.gz LRWHNBAYTALQIL-KRWDZBQOSA-N 1 1 309.498 3.639 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc2c(n1)CCC2 ZINC000574855826 1040061635 /nfs/dbraw/zinc/06/16/35/1040061635.db2.gz AVBFFIMOJCYJFY-PZJWPPBQSA-N 1 1 317.436 3.842 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc2c(n1)CCC2 ZINC000574855826 1040061645 /nfs/dbraw/zinc/06/16/45/1040061645.db2.gz AVBFFIMOJCYJFY-PZJWPPBQSA-N 1 1 317.436 3.842 20 30 DHEDMO C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000595327737 1040097634 /nfs/dbraw/zinc/09/76/34/1040097634.db2.gz QWNBVBVVLJJHGL-MGPUTAFESA-N 1 1 324.399 3.702 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000595333589 1040100488 /nfs/dbraw/zinc/10/04/88/1040100488.db2.gz KRHJODYIWDUDCS-SFTDATJTSA-N 1 1 315.420 3.873 20 30 DHEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1ccc(OC(F)F)cc1 ZINC000595289275 1040100563 /nfs/dbraw/zinc/10/05/63/1040100563.db2.gz OVWCUJQTXKLCDA-UHFFFAOYSA-N 1 1 316.351 3.834 20 30 DHEDMO COc1cccc(SCC[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000595288229 1040100609 /nfs/dbraw/zinc/10/06/09/1040100609.db2.gz LLVKGMFYMUDMCX-UHFFFAOYSA-N 1 1 312.438 3.791 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000595320418 1040108688 /nfs/dbraw/zinc/10/86/88/1040108688.db2.gz XUCADPKFXLKUIT-LJQANCHMSA-N 1 1 308.450 3.891 20 30 DHEDMO Cc1cccc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)c1 ZINC000593023339 1040163591 /nfs/dbraw/zinc/16/35/91/1040163591.db2.gz QHLGREWXWYVMHT-QGZVFWFLSA-N 1 1 321.380 3.764 20 30 DHEDMO N#Cc1c(C[NH+]2CCC(c3ccco3)CC2)cn2ccccc12 ZINC000595618652 1040191870 /nfs/dbraw/zinc/19/18/70/1040191870.db2.gz RYMYPEBLRWYDOW-UHFFFAOYSA-N 1 1 305.381 3.784 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000595623333 1040196512 /nfs/dbraw/zinc/19/65/12/1040196512.db2.gz NHUUUPYRKWIYIZ-AWEZNQCLSA-N 1 1 301.821 3.920 20 30 DHEDMO Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595619435 1040196517 /nfs/dbraw/zinc/19/65/17/1040196517.db2.gz BADQCWTZFWDFTR-ZDUSSCGKSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595619435 1040196520 /nfs/dbraw/zinc/19/65/20/1040196520.db2.gz BADQCWTZFWDFTR-ZDUSSCGKSA-N 1 1 307.235 3.883 20 30 DHEDMO N#Cc1sccc1N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000595632277 1040199272 /nfs/dbraw/zinc/19/92/72/1040199272.db2.gz WBGWQSCHMJQDSD-UHFFFAOYSA-N 1 1 323.421 3.688 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000595615047 1040207170 /nfs/dbraw/zinc/20/71/70/1040207170.db2.gz OLQJYFXHRCJORH-LBPRGKRZSA-N 1 1 313.228 3.998 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H](C)[C@H]2CCC)c1=S ZINC000173387716 1040238070 /nfs/dbraw/zinc/23/80/70/1040238070.db2.gz RLHLCIJGACZURQ-UKRRQHHQSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC)c1=S ZINC000173387716 1040238088 /nfs/dbraw/zinc/23/80/88/1040238088.db2.gz RLHLCIJGACZURQ-UKRRQHHQSA-N 1 1 308.495 3.767 20 30 DHEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN([C@@H](C#N)c2ccccc2)C1 ZINC000595749569 1040239949 /nfs/dbraw/zinc/23/99/49/1040239949.db2.gz OCDKGWQFDVCJSJ-RTWAWAEBSA-N 1 1 319.452 3.500 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595747918 1040241820 /nfs/dbraw/zinc/24/18/20/1040241820.db2.gz PLAWXDJSEXVAMD-TYCQWZJGSA-N 1 1 320.436 3.717 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000595912172 1040274725 /nfs/dbraw/zinc/27/47/25/1040274725.db2.gz YVOJQPHXDUSYAQ-OYRHEFFESA-N 1 1 324.468 3.880 20 30 DHEDMO Cc1ccc2c(c1Br)C[N@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000595873925 1040277792 /nfs/dbraw/zinc/27/77/92/1040277792.db2.gz NQHZEXHXNNHGAJ-DGCLKSJQSA-N 1 1 305.219 3.765 20 30 DHEDMO Cc1ccc2c(c1Br)C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000595873925 1040277805 /nfs/dbraw/zinc/27/78/05/1040277805.db2.gz NQHZEXHXNNHGAJ-DGCLKSJQSA-N 1 1 305.219 3.765 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@@H+](CCC3CC3)CC3CC3)o2)cc1 ZINC000595871415 1040278769 /nfs/dbraw/zinc/27/87/69/1040278769.db2.gz MZBFZMBLYCIXCE-UHFFFAOYSA-N 1 1 322.412 3.620 20 30 DHEDMO Cc1ccc(C#N)nc1N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000596087500 1040304031 /nfs/dbraw/zinc/30/40/31/1040304031.db2.gz GBWNDPQPMBVMBC-MAUKXSAKSA-N 1 1 306.413 3.509 20 30 DHEDMO CCCCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173528083 1040328856 /nfs/dbraw/zinc/32/88/56/1040328856.db2.gz OOPJQLLWSMXPJK-SJORKVTESA-N 1 1 311.514 3.861 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCc4cc(F)ccc4C3)cc2)CC1 ZINC000597082535 1040646712 /nfs/dbraw/zinc/64/67/12/1040646712.db2.gz VRMLRNXRQDBMSS-UHFFFAOYSA-N 1 1 306.384 3.939 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCOCC4(CCCC4)C3)cc2)CC1 ZINC000597089085 1040650340 /nfs/dbraw/zinc/65/03/40/1040650340.db2.gz TYOQVQQUBNKGAS-UHFFFAOYSA-N 1 1 310.441 3.634 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CC[C@H](C)C1 ZINC000597112710 1040654849 /nfs/dbraw/zinc/65/48/49/1040654849.db2.gz IEMSSFZWGNRCBM-LPHOPBHVSA-N 1 1 312.457 3.879 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCCC[C@@H]3c3cc[nH]n3)cc2)CC1 ZINC000597127325 1040656247 /nfs/dbraw/zinc/65/62/47/1040656247.db2.gz FDJPHELTIZWXJQ-GOSISDBHSA-N 1 1 306.413 3.692 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCCC[C@@H]3c3cc[nH]n3)cc2)CC1 ZINC000597127325 1040656252 /nfs/dbraw/zinc/65/62/52/1040656252.db2.gz FDJPHELTIZWXJQ-GOSISDBHSA-N 1 1 306.413 3.692 20 30 DHEDMO CCC[N@H+]1Cc2cccc(N[C@H](C#N)Cc3ccccc3)c2C1 ZINC000608982143 1040658006 /nfs/dbraw/zinc/65/80/06/1040658006.db2.gz ONKNQKWAYHVPKW-SFHVURJKSA-N 1 1 305.425 3.959 20 30 DHEDMO COc1ccc(C[NH2+][C@H](c2ncc(C)s2)C2CC2)cc1C#N ZINC000174545001 1040663435 /nfs/dbraw/zinc/66/34/35/1040663435.db2.gz RCKASYAKUHCJBX-INIZCTEOSA-N 1 1 313.426 3.573 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000597156266 1040669647 /nfs/dbraw/zinc/66/96/47/1040669647.db2.gz CJFGVNIYHMOXLA-LLVKDONJSA-N 1 1 322.334 3.504 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000597156266 1040669652 /nfs/dbraw/zinc/66/96/52/1040669652.db2.gz CJFGVNIYHMOXLA-LLVKDONJSA-N 1 1 322.334 3.504 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(Cl)cc(OC)c1O ZINC000761215854 1040670203 /nfs/dbraw/zinc/67/02/03/1040670203.db2.gz JMCOCNUYCDQKHV-UHFFFAOYSA-N 1 1 321.804 3.878 20 30 DHEDMO CCOc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc(Cl)c1OC ZINC000597174553 1040675853 /nfs/dbraw/zinc/67/58/53/1040675853.db2.gz QWBSTMVUZGFZLW-CYBMUJFWSA-N 1 1 322.836 3.873 20 30 DHEDMO CCOc1cc(C[N@H+]2CCC[C@H](CC#N)C2)cc(Cl)c1OC ZINC000597174553 1040675860 /nfs/dbraw/zinc/67/58/60/1040675860.db2.gz QWBSTMVUZGFZLW-CYBMUJFWSA-N 1 1 322.836 3.873 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000597218271 1040689693 /nfs/dbraw/zinc/68/96/93/1040689693.db2.gz ONQYECOOVVKTJE-INIZCTEOSA-N 1 1 302.418 3.763 20 30 DHEDMO C=CC[N@@H+](Cc1ccc2[nH]cnc2c1)Cc1cccc(C#N)c1 ZINC000534348723 1040817558 /nfs/dbraw/zinc/81/75/58/1040817558.db2.gz BJNXYJYGMLGBOB-UHFFFAOYSA-N 1 1 302.381 3.623 20 30 DHEDMO C=CC[N@H+](Cc1ccc2nc[nH]c2c1)Cc1cccc(C#N)c1 ZINC000534348723 1040817570 /nfs/dbraw/zinc/81/75/70/1040817570.db2.gz BJNXYJYGMLGBOB-UHFFFAOYSA-N 1 1 302.381 3.623 20 30 DHEDMO C=CC[N@@H+](Cc1ccc2nc[nH]c2c1)Cc1cccc(C#N)c1 ZINC000534348723 1040817585 /nfs/dbraw/zinc/81/75/85/1040817585.db2.gz BJNXYJYGMLGBOB-UHFFFAOYSA-N 1 1 302.381 3.623 20 30 DHEDMO CC(C)OCc1ccccc1C[NH2+]Cc1cccc(F)c1C#N ZINC000601997049 1040853948 /nfs/dbraw/zinc/85/39/48/1040853948.db2.gz KUWBRDHYFPCQLU-UHFFFAOYSA-N 1 1 312.388 3.912 20 30 DHEDMO COc1ccc(OC)c(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000442668168 1041000327 /nfs/dbraw/zinc/00/03/27/1041000327.db2.gz CDMLMFMXRKARLN-AWEZNQCLSA-N 1 1 310.397 3.768 20 30 DHEDMO COc1cccc(C[N@@H+](C[C@@H](C)CCC#N)C[C@H]2CCCO2)c1 ZINC000602455222 1041028455 /nfs/dbraw/zinc/02/84/55/1041028455.db2.gz PLTHLUWSNDEOSF-QFBILLFUSA-N 1 1 316.445 3.616 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602440892 1041032757 /nfs/dbraw/zinc/03/27/57/1041032757.db2.gz MHEXXAZNZBJJJJ-IBGZPJMESA-N 1 1 305.425 3.517 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000602433258 1041033328 /nfs/dbraw/zinc/03/33/28/1041033328.db2.gz KJVYGHLIAWJUBR-MRXNPFEDSA-N 1 1 319.880 3.788 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000602432842 1041034105 /nfs/dbraw/zinc/03/41/05/1041034105.db2.gz JENBNRRJUGAUCD-GOEBONIOSA-N 1 1 300.402 3.535 20 30 DHEDMO Cc1ncc([C@H](C)[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(C)n1 ZINC000602440269 1041034343 /nfs/dbraw/zinc/03/43/43/1041034343.db2.gz PMWQAMMTPAJMFH-HNNXBMFYSA-N 1 1 308.429 3.937 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccnn2CC2CCC2)C2CC2)cc1 ZINC000602438872 1041034648 /nfs/dbraw/zinc/03/46/48/1041034648.db2.gz BREUZRZZVYPULZ-UHFFFAOYSA-N 1 1 320.440 3.719 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2ccnn2CC2CCC2)C2CC2)cc1 ZINC000602438872 1041034653 /nfs/dbraw/zinc/03/46/53/1041034653.db2.gz BREUZRZZVYPULZ-UHFFFAOYSA-N 1 1 320.440 3.719 20 30 DHEDMO CCC[N@@H+](Cc1cccc(C#N)n1)[C@@H](C)c1ccccc1OC ZINC000602442497 1041036969 /nfs/dbraw/zinc/03/69/69/1041036969.db2.gz BUGLQMYECMUSST-HNNXBMFYSA-N 1 1 309.413 3.935 20 30 DHEDMO N#Cc1cccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000602502484 1041048507 /nfs/dbraw/zinc/04/85/07/1041048507.db2.gz LCEGHTAFSNAFBE-UHFFFAOYSA-N 1 1 317.314 3.751 20 30 DHEDMO COCC[N@H+](Cc1ccc(F)cc1Cl)C[C@H](C)CCC#N ZINC000602477904 1041050440 /nfs/dbraw/zinc/05/04/40/1041050440.db2.gz YNFKILAVXRBOKA-CYBMUJFWSA-N 1 1 312.816 3.867 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccccc1C#N ZINC000442687763 1041064040 /nfs/dbraw/zinc/06/40/40/1041064040.db2.gz YQWNLSGGUCWNRF-HNNXBMFYSA-N 1 1 305.381 3.502 20 30 DHEDMO C=CCOc1cccc(CNCCC[N@H+](C)C2CCCCC2)c1 ZINC000641973326 1041105619 /nfs/dbraw/zinc/10/56/19/1041105619.db2.gz BTPHJRVNPJYKRQ-UHFFFAOYSA-N 1 1 316.489 3.996 20 30 DHEDMO C[C@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602590059 1041106350 /nfs/dbraw/zinc/10/63/50/1041106350.db2.gz VSSVELDIJXUAGL-AILXTGBUSA-N 1 1 311.473 3.569 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(C(F)F)nc1)C2 ZINC000602728604 1041182532 /nfs/dbraw/zinc/18/25/32/1041182532.db2.gz BKHXCBXOXHPYPG-UHFFFAOYSA-N 1 1 313.351 3.644 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+](Cc1ccc(C(F)F)nc1)C2 ZINC000602728604 1041182538 /nfs/dbraw/zinc/18/25/38/1041182538.db2.gz BKHXCBXOXHPYPG-UHFFFAOYSA-N 1 1 313.351 3.644 20 30 DHEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CC1(CC#N)CC1 ZINC000602764979 1041213299 /nfs/dbraw/zinc/21/32/99/1041213299.db2.gz RYQCYYWKIAOCHL-UHFFFAOYSA-N 1 1 322.456 3.923 20 30 DHEDMO CCn1nc(C)c(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)c1C ZINC000602925215 1041306884 /nfs/dbraw/zinc/30/68/84/1041306884.db2.gz HPMSMBBVOTUKAA-UHFFFAOYSA-N 1 1 324.472 3.953 20 30 DHEDMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602975485 1041334000 /nfs/dbraw/zinc/33/40/00/1041334000.db2.gz BOIMRRIWZYFIGV-UKRRQHHQSA-N 1 1 312.335 3.752 20 30 DHEDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602975485 1041334018 /nfs/dbraw/zinc/33/40/18/1041334018.db2.gz BOIMRRIWZYFIGV-UKRRQHHQSA-N 1 1 312.335 3.752 20 30 DHEDMO CCc1oc2ccccc2c1C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598584984 1041348117 /nfs/dbraw/zinc/34/81/17/1041348117.db2.gz MCYBZNHOTGKMEM-AWEZNQCLSA-N 1 1 314.429 3.728 20 30 DHEDMO CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C)c1ccccc1OC ZINC000598587078 1041348592 /nfs/dbraw/zinc/34/85/92/1041348592.db2.gz NJHRPODXGKHJCL-JKSUJKDBSA-N 1 1 318.461 3.769 20 30 DHEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C2CC2)o1 ZINC000598585162 1041349239 /nfs/dbraw/zinc/34/92/39/1041349239.db2.gz VKMJASXXIDRIPU-KMFMINBZSA-N 1 1 316.445 3.668 20 30 DHEDMO Cc1ccc([C@@H]2CCCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598592499 1041350204 /nfs/dbraw/zinc/35/02/04/1041350204.db2.gz LACRDHXCGATHIQ-ROUUACIJSA-N 1 1 300.446 3.823 20 30 DHEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598589671 1041351256 /nfs/dbraw/zinc/35/12/56/1041351256.db2.gz UMNGSFKCQQDLGC-RDJZCZTQSA-N 1 1 316.445 3.523 20 30 DHEDMO Cc1ccc(C[N@@H+](C[C@H](O)CC(C)(C)C#N)C2CC2)cc1C ZINC000598593343 1041354483 /nfs/dbraw/zinc/35/44/83/1041354483.db2.gz STPQGMDXGXURDC-GOSISDBHSA-N 1 1 300.446 3.569 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000598594700 1041354673 /nfs/dbraw/zinc/35/46/73/1041354673.db2.gz IDIGTHKEEDMBRQ-IAGOWNOFSA-N 1 1 304.409 3.653 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000598599311 1041359639 /nfs/dbraw/zinc/35/96/39/1041359639.db2.gz ZNDUIQMBAKRBOR-YOEHRIQHSA-N 1 1 322.399 3.793 20 30 DHEDMO CCc1ccc([C@H]2CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C2)cc1 ZINC000598615949 1041361236 /nfs/dbraw/zinc/36/12/36/1041361236.db2.gz HIPHCPNBVHIIOA-RBUKOAKNSA-N 1 1 314.473 3.729 20 30 DHEDMO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598624781 1041363953 /nfs/dbraw/zinc/36/39/53/1041363953.db2.gz HCLPWRMXERSQOR-SJORKVTESA-N 1 1 300.446 3.741 20 30 DHEDMO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@H](C)c1cccc(C#N)c1 ZINC000442674693 335008590 /nfs/dbraw/zinc/00/85/90/335008590.db2.gz XAVCPMSUHMCZDR-QAPCUYQASA-N 1 1 322.408 3.781 20 30 DHEDMO CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@@H](C)c1cccc(C#N)c1 ZINC000442674691 335008603 /nfs/dbraw/zinc/00/86/03/335008603.db2.gz XAVCPMSUHMCZDR-MAUKXSAKSA-N 1 1 322.408 3.781 20 30 DHEDMO COc1cccc(C2([NH2+]Cc3ccc(Cl)cc3C#N)CC2)c1 ZINC000274874486 130268679 /nfs/dbraw/zinc/26/86/79/130268679.db2.gz XZYNETXEKHNFFP-UHFFFAOYSA-N 1 1 312.800 3.999 20 30 DHEDMO COc1c(C)cnc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1C ZINC000275754679 130380455 /nfs/dbraw/zinc/38/04/55/130380455.db2.gz XFIYOTGAHWUKQX-OAHLLOKOSA-N 1 1 309.413 3.772 20 30 DHEDMO COc1c(C)c[nH+]c(CN(C)[C@H](C)c2cccc(C#N)c2)c1C ZINC000275754679 130380462 /nfs/dbraw/zinc/38/04/62/130380462.db2.gz XFIYOTGAHWUKQX-OAHLLOKOSA-N 1 1 309.413 3.772 20 30 DHEDMO COC[C@H]([NH2+]Cc1ccc(C#N)s1)c1cccc(Cl)c1 ZINC000288596273 131331496 /nfs/dbraw/zinc/33/14/96/131331496.db2.gz PBYPBAASTNPDKV-HNNXBMFYSA-N 1 1 306.818 3.750 20 30 DHEDMO CC[C@@H]1CCCC[N@H+]1CCNc1cc(C#N)c2ccccc2n1 ZINC000609893816 435354573 /nfs/dbraw/zinc/35/45/73/435354573.db2.gz IUJQNAROQMFROK-MRXNPFEDSA-N 1 1 308.429 3.783 20 30 DHEDMO COc1cc([C@H](C)[NH2+]C[C@H](C#N)CCC#N)ccc1OC(C)C ZINC000030533481 331852254 /nfs/dbraw/zinc/85/22/54/331852254.db2.gz YPAUKJRXTGZEHF-GJZGRUSLSA-N 1 1 315.417 3.577 20 30 DHEDMO CC[C@@H](C)C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000091796116 332112488 /nfs/dbraw/zinc/11/24/88/332112488.db2.gz LGJYKRWXDLYTRL-MRXNPFEDSA-N 1 1 310.445 3.942 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+](CCCC)[C@@H](C)c2ccccc2)C1=O ZINC000410340025 332113123 /nfs/dbraw/zinc/11/31/23/332113123.db2.gz VXCWAMWEJZJBCJ-FUHWJXTLSA-N 1 1 300.446 3.637 20 30 DHEDMO CCCOc1ccc(C[N@H+](CCC#N)CC2CC2)cc1OC ZINC000093091487 332133836 /nfs/dbraw/zinc/13/38/36/332133836.db2.gz FQDMYCFTIKCFLF-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO CCCOc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1OC ZINC000093091487 332133839 /nfs/dbraw/zinc/13/38/39/332133839.db2.gz FQDMYCFTIKCFLF-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000092593397 332134814 /nfs/dbraw/zinc/13/48/14/332134814.db2.gz MIUKSCSMMMEYCJ-QGZVFWFLSA-N 1 1 315.438 3.886 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000092593397 332134815 /nfs/dbraw/zinc/13/48/15/332134815.db2.gz MIUKSCSMMMEYCJ-QGZVFWFLSA-N 1 1 315.438 3.886 20 30 DHEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000448015841 332158944 /nfs/dbraw/zinc/15/89/44/332158944.db2.gz RPDVHAFBSTUXCI-MLGOLLRUSA-N 1 1 317.433 3.607 20 30 DHEDMO C=C(C)C[N@@H+](C)Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000181046026 332173288 /nfs/dbraw/zinc/17/32/88/332173288.db2.gz HDVROIXPTGUJIT-UHFFFAOYSA-N 1 1 320.234 3.847 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000181046026 332173289 /nfs/dbraw/zinc/17/32/89/332173289.db2.gz HDVROIXPTGUJIT-UHFFFAOYSA-N 1 1 320.234 3.847 20 30 DHEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000181328382 332191793 /nfs/dbraw/zinc/19/17/93/332191793.db2.gz VKZKISHGHHBULP-UHFFFAOYSA-N 1 1 310.397 3.925 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000181328382 332191794 /nfs/dbraw/zinc/19/17/94/332191794.db2.gz VKZKISHGHHBULP-UHFFFAOYSA-N 1 1 310.397 3.925 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000215694912 332197529 /nfs/dbraw/zinc/19/75/29/332197529.db2.gz WZJNOEOXEQPYEU-LJQANCHMSA-N 1 1 306.409 3.817 20 30 DHEDMO C=C(Br)C[NH+]1CCC(Nc2ccc(C)cc2)CC1 ZINC000370914753 332297602 /nfs/dbraw/zinc/29/76/02/332297602.db2.gz XHNGJEMBVGDZJC-UHFFFAOYSA-N 1 1 309.251 3.780 20 30 DHEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CCCSCC#N)CCC2 ZINC000152497227 332301355 /nfs/dbraw/zinc/30/13/55/332301355.db2.gz JTHWYAVTRDQFEG-ZDUSSCGKSA-N 1 1 309.504 3.662 20 30 DHEDMO C=CCCCC[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000560186373 332317636 /nfs/dbraw/zinc/31/76/36/332317636.db2.gz ZSFBYECILZDYLN-UHFFFAOYSA-N 1 1 320.864 3.844 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1cnc2nc(C)cc(C)n12 ZINC000119937072 332326947 /nfs/dbraw/zinc/32/69/47/332326947.db2.gz GBQPKWIHBQXJQU-UHFFFAOYSA-N 1 1 312.442 3.596 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cnc2nc(C)cc(C)n12 ZINC000119937072 332326948 /nfs/dbraw/zinc/32/69/48/332326948.db2.gz GBQPKWIHBQXJQU-UHFFFAOYSA-N 1 1 312.442 3.596 20 30 DHEDMO CN(CCC#N)c1ccc(C[NH2+]C(C)(C)c2nccs2)cc1 ZINC000116380941 332338587 /nfs/dbraw/zinc/33/85/87/332338587.db2.gz VYOKEWSWRJWZJI-UHFFFAOYSA-N 1 1 314.458 3.518 20 30 DHEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(OCC2CC2)c(F)c1 ZINC000119451704 332372102 /nfs/dbraw/zinc/37/21/02/332372102.db2.gz PEXFMWDNNJMXHK-UKRRQHHQSA-N 1 1 315.392 3.709 20 30 DHEDMO CCOc1ccc([C@H](C)[NH2+]C[C@H](C#N)CCC#N)cc1OCC ZINC000120997429 332391028 /nfs/dbraw/zinc/39/10/28/332391028.db2.gz VVNXKGBZRHQUOJ-GJZGRUSLSA-N 1 1 315.417 3.578 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000187780602 332433448 /nfs/dbraw/zinc/43/34/48/332433448.db2.gz OESAGTQCRCWAMO-SFHVURJKSA-N 1 1 322.399 3.596 20 30 DHEDMO CC1(C)CCCc2cc(C#N)c(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)nc21 ZINC000428123567 335111067 /nfs/dbraw/zinc/11/10/67/335111067.db2.gz WXOABLVGDNOUBW-SJORKVTESA-N 1 1 324.472 3.606 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1cccc(C(=O)N(C)C)c1 ZINC000173549696 333075274 /nfs/dbraw/zinc/07/52/74/333075274.db2.gz SPOLGRABMVOONH-UHFFFAOYSA-N 1 1 315.461 3.540 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cccc(C(=O)N(C)C)c1 ZINC000173549696 333075275 /nfs/dbraw/zinc/07/52/75/333075275.db2.gz SPOLGRABMVOONH-UHFFFAOYSA-N 1 1 315.461 3.540 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@H](c2ccc(F)cc2)O1 ZINC000174874620 333092089 /nfs/dbraw/zinc/09/20/89/333092089.db2.gz ISPQNWYYVJCCLL-RHSMWYFYSA-N 1 1 304.409 3.917 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C(C)C)[C@@H]2CCOC2)cc1Cl ZINC000462879445 333128858 /nfs/dbraw/zinc/12/88/58/333128858.db2.gz XOHGYIJBYJFZBM-OAHLLOKOSA-N 1 1 309.837 3.904 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]2c2cccn2C)cc1 ZINC000179708087 333154802 /nfs/dbraw/zinc/15/48/02/333154802.db2.gz FEVGRGQOWQCXSJ-HXUWFJFHSA-N 1 1 322.456 3.712 20 30 DHEDMO COC[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccc(C)o1 ZINC000181847885 333172803 /nfs/dbraw/zinc/17/28/03/333172803.db2.gz OUOOWISXMSBDOG-RHSMWYFYSA-N 1 1 314.385 3.529 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000538287370 333199909 /nfs/dbraw/zinc/19/99/09/333199909.db2.gz XQSDJFVYHIXNAI-MRXNPFEDSA-N 1 1 317.477 3.682 20 30 DHEDMO C=CCOc1cccc(CNCC[N@H+](C)C2CCCCC2)c1 ZINC000518782486 333200587 /nfs/dbraw/zinc/20/05/87/333200587.db2.gz XWEVVSRVVMHZCV-UHFFFAOYSA-N 1 1 302.462 3.606 20 30 DHEDMO C=CCOc1cccc(C[NH2+]CCN(C)C2CCCCC2)c1 ZINC000518782486 333200588 /nfs/dbraw/zinc/20/05/88/333200588.db2.gz XWEVVSRVVMHZCV-UHFFFAOYSA-N 1 1 302.462 3.606 20 30 DHEDMO CCCCCCCC[N@@H+](C)C1CCN(c2cccnn2)CC1 ZINC000363939125 333205323 /nfs/dbraw/zinc/20/53/23/333205323.db2.gz RYPFSEHCXARUHH-UHFFFAOYSA-N 1 1 304.482 3.738 20 30 DHEDMO C[N@@H+](CCCCC#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000364108201 333239620 /nfs/dbraw/zinc/23/96/20/333239620.db2.gz AFHBGJWMAXCORV-AWEZNQCLSA-N 1 1 323.234 3.898 20 30 DHEDMO C#CCOc1ccc(C[NH2+]Cc2ncc(C(C)(C)C)s2)cc1 ZINC000295014749 335129725 /nfs/dbraw/zinc/12/97/25/335129725.db2.gz MLMGZOFWXQWYDK-UHFFFAOYSA-N 1 1 314.454 3.742 20 30 DHEDMO Cc1ccnc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000310555555 333254121 /nfs/dbraw/zinc/25/41/21/333254121.db2.gz YEZFGPDLIZGQRJ-WMZOPIPTSA-N 1 1 320.440 3.584 20 30 DHEDMO C=CCOc1ccccc1CNC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000390575492 333302935 /nfs/dbraw/zinc/30/29/35/333302935.db2.gz DCEVRDMKCYRXMB-GOSISDBHSA-N 1 1 324.468 3.862 20 30 DHEDMO C=CCOc1ccccc1CNC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000390575492 333302937 /nfs/dbraw/zinc/30/29/37/333302937.db2.gz DCEVRDMKCYRXMB-GOSISDBHSA-N 1 1 324.468 3.862 20 30 DHEDMO C=CC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000494706323 333350069 /nfs/dbraw/zinc/35/00/69/333350069.db2.gz DTUTXPGNKXJTEH-MNOVXSKESA-N 1 1 315.244 3.677 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000188617770 333380654 /nfs/dbraw/zinc/38/06/54/333380654.db2.gz DPXVBCOSDIZHNJ-IFXJQAMLSA-N 1 1 311.429 3.960 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccsc2Br)cc1 ZINC000337854793 333482533 /nfs/dbraw/zinc/48/25/33/333482533.db2.gz KQWAGMAPNTVCKR-UHFFFAOYSA-N 1 1 307.216 3.672 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000185704490 335148412 /nfs/dbraw/zinc/14/84/12/335148412.db2.gz ZXFOFQCQWWUSOQ-CVEARBPZSA-N 1 1 316.445 3.621 20 30 DHEDMO CC#CCN(C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000296785742 335148461 /nfs/dbraw/zinc/14/84/61/335148461.db2.gz XRABEMXTEZWEBR-UHFFFAOYSA-N 1 1 324.428 3.542 20 30 DHEDMO N#CC1(C[NH2+][C@@H]2CCOc3c(Br)cccc32)CCC1 ZINC000450924877 333693576 /nfs/dbraw/zinc/69/35/76/333693576.db2.gz HCMXQABKWLNRCG-CYBMUJFWSA-N 1 1 321.218 3.556 20 30 DHEDMO C=CCC[N@H+](C)Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000343438682 335164819 /nfs/dbraw/zinc/16/48/19/335164819.db2.gz GAPSZZTVSMYGIW-UHFFFAOYSA-N 1 1 303.324 3.644 20 30 DHEDMO CC[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000343446963 335165254 /nfs/dbraw/zinc/16/52/54/335165254.db2.gz HXTHPPXOPLANIR-NWDGAFQWSA-N 1 1 307.825 3.517 20 30 DHEDMO Cc1cc(C[N@@H+](C)C[C@H](C)C#N)cc(C)c1OCc1ccccn1 ZINC000271116798 334018809 /nfs/dbraw/zinc/01/88/09/334018809.db2.gz FTLBNBYEINFUIO-OAHLLOKOSA-N 1 1 323.440 3.869 20 30 DHEDMO Cc1cc(C[N@H+](C)C[C@H](C)C#N)cc(C)c1OCc1ccccn1 ZINC000271116798 334018810 /nfs/dbraw/zinc/01/88/10/334018810.db2.gz FTLBNBYEINFUIO-OAHLLOKOSA-N 1 1 323.440 3.869 20 30 DHEDMO CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000271439988 334023456 /nfs/dbraw/zinc/02/34/56/334023456.db2.gz BRWJIISAMCOENM-KBPBESRZSA-N 1 1 317.458 3.504 20 30 DHEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000272329500 334032967 /nfs/dbraw/zinc/03/29/67/334032967.db2.gz WCGKOPHLCFHRRD-NSHDSACASA-N 1 1 318.218 3.589 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000272329500 334032969 /nfs/dbraw/zinc/03/29/69/334032969.db2.gz WCGKOPHLCFHRRD-NSHDSACASA-N 1 1 318.218 3.589 20 30 DHEDMO CC1(C#N)CC[NH+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC000278367467 334095418 /nfs/dbraw/zinc/09/54/18/334095418.db2.gz GAJFRNTWROOSPY-UHFFFAOYSA-N 1 1 321.424 3.786 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([NH+]2CCN(Cc3cccc4ccccc43)CC2)C1 ZINC000278753019 334100670 /nfs/dbraw/zinc/10/06/70/334100670.db2.gz XEWIXJWZELDGCG-YLJYHZDGSA-N 1 1 319.452 3.650 20 30 DHEDMO N#Cc1cc(F)ccc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278885274 334102994 /nfs/dbraw/zinc/10/29/94/334102994.db2.gz OYHWYOONMIWAOI-UHFFFAOYSA-N 1 1 324.403 3.614 20 30 DHEDMO CCc1ccc(-c2noc([C@H](C)[NH2+][C@H]3CC[C@@H](C#N)C3)n2)cc1 ZINC000282133741 334131735 /nfs/dbraw/zinc/13/17/35/334131735.db2.gz BNYPYUZIMRNKEL-BJJXKVORSA-N 1 1 310.401 3.642 20 30 DHEDMO CC[C@@](C)(C#N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000284950106 334145036 /nfs/dbraw/zinc/14/50/36/334145036.db2.gz BUTAKXCZXYMJGX-KXBFYZLASA-N 1 1 313.445 3.797 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000287082802 334156349 /nfs/dbraw/zinc/15/63/49/334156349.db2.gz WOPWYRJXQBQKIK-AWEZNQCLSA-N 1 1 324.403 3.930 20 30 DHEDMO CC(C)(C#N)CCC[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000289454235 334165512 /nfs/dbraw/zinc/16/55/12/334165512.db2.gz XOIIDYYKMVBGKO-UHFFFAOYSA-N 1 1 322.456 3.687 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000289666724 334167094 /nfs/dbraw/zinc/16/70/94/334167094.db2.gz DDSAGHQAFCEIEV-HXUWFJFHSA-N 1 1 320.440 3.769 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)s1 ZINC000289800381 334167973 /nfs/dbraw/zinc/16/79/73/334167973.db2.gz SJWFMIAEEVKWET-QRVBRYPASA-N 1 1 324.449 3.624 20 30 DHEDMO CCC[N@@H+](C)[C@@H](CNC(=O)CCCC#N)c1ccc(Cl)cc1 ZINC000291960716 334183466 /nfs/dbraw/zinc/18/34/66/334183466.db2.gz RKWLKHLOWLSRMG-INIZCTEOSA-N 1 1 321.852 3.533 20 30 DHEDMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@H]4CC[C@@H](C#N)C4)CC3)c2c1 ZINC000292787612 334192357 /nfs/dbraw/zinc/19/23/57/334192357.db2.gz LDNNEYRGTVFDGB-ZBFHGGJFSA-N 1 1 321.424 3.958 20 30 DHEDMO CCOc1cc2c(cc1OCC)C[N@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000293661972 334200427 /nfs/dbraw/zinc/20/04/27/334200427.db2.gz YUJCDRRBBJSNDW-YOEHRIQHSA-N 1 1 314.429 3.534 20 30 DHEDMO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000295123169 334219129 /nfs/dbraw/zinc/21/91/29/334219129.db2.gz WWZYGWDGXBIQAZ-UMGGQSCQSA-N 1 1 311.473 3.569 20 30 DHEDMO CO[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1(C)C ZINC000295857903 334228009 /nfs/dbraw/zinc/22/80/09/334228009.db2.gz DYBCGHYXZKDMRW-QGZVFWFLSA-N 1 1 300.446 3.735 20 30 DHEDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)CCC#N ZINC000299288718 334254644 /nfs/dbraw/zinc/25/46/44/334254644.db2.gz NQSILVPTKVFBNZ-LLVKDONJSA-N 1 1 311.223 3.669 20 30 DHEDMO C=C(C)C[N@@H+](CC)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000120115025 334298061 /nfs/dbraw/zinc/29/80/61/334298061.db2.gz HDMBDBZBFIFCFJ-NSHDSACASA-N 1 1 305.447 3.560 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000120115025 334298062 /nfs/dbraw/zinc/29/80/62/334298062.db2.gz HDMBDBZBFIFCFJ-NSHDSACASA-N 1 1 305.447 3.560 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2cccc3ccccc32)C1=O ZINC000531949942 334303826 /nfs/dbraw/zinc/30/38/26/334303826.db2.gz VVTCTXAHLBWEMW-KXBFYZLASA-N 1 1 308.425 3.620 20 30 DHEDMO C=CCNC(=O)C[N@H+](CCC)[C@H](C)c1cc2ccccc2o1 ZINC000053643591 334341601 /nfs/dbraw/zinc/34/16/01/334341601.db2.gz VWSPRRNVLYROBJ-CQSZACIVSA-N 1 1 300.402 3.508 20 30 DHEDMO CCC(CC)C[N@@H+](CC)CCOc1ccc(C#N)cc1OC ZINC000303903574 334342161 /nfs/dbraw/zinc/34/21/61/334342161.db2.gz SVNBAHHMDKWOKW-UHFFFAOYSA-N 1 1 304.434 3.704 20 30 DHEDMO CC(C)[N@H+](CCC#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000535072571 334364584 /nfs/dbraw/zinc/36/45/84/334364584.db2.gz PTOVMDJEYCRILE-UHFFFAOYSA-N 1 1 300.324 3.752 20 30 DHEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000535072571 334364585 /nfs/dbraw/zinc/36/45/85/334364585.db2.gz PTOVMDJEYCRILE-UHFFFAOYSA-N 1 1 300.324 3.752 20 30 DHEDMO C[C@H]1[C@@H](Nc2c(C#N)cccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000340813752 334387269 /nfs/dbraw/zinc/38/72/69/334387269.db2.gz DUMULOFHKBSULB-KXBFYZLASA-N 1 1 316.408 3.505 20 30 DHEDMO CC[C@H](C)C[N@@H+](CC)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000343708752 335189685 /nfs/dbraw/zinc/18/96/85/335189685.db2.gz LIKBFSFESXDMMD-DLBZAZTESA-N 1 1 315.461 3.690 20 30 DHEDMO C[C@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000343770615 335191776 /nfs/dbraw/zinc/19/17/76/335191776.db2.gz QPVCTRKKOVZMGK-QGZVFWFLSA-N 1 1 308.425 3.526 20 30 DHEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1cc(F)c(F)c(F)c1 ZINC000343855009 335197326 /nfs/dbraw/zinc/19/73/26/335197326.db2.gz UVJWANSILUQCEQ-UHFFFAOYSA-N 1 1 304.315 3.802 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000344360791 335244174 /nfs/dbraw/zinc/24/41/74/335244174.db2.gz AMULBHPFJHXTQT-DAYGRLMNSA-N 1 1 315.436 3.535 20 30 DHEDMO C=CCCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000344487367 335256082 /nfs/dbraw/zinc/25/60/82/335256082.db2.gz VJQCZZRLGGITRZ-MRXNPFEDSA-N 1 1 315.461 3.576 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCc3n[nH]cc3C2)cc1 ZINC000345651695 335343727 /nfs/dbraw/zinc/34/37/27/335343727.db2.gz FDXWHPRNGWBPAX-UHFFFAOYSA-N 1 1 314.392 3.507 20 30 DHEDMO C[C@H](CC#N)[N@H+](C)CCCOc1cccc(C(F)(F)F)c1 ZINC000345858093 335355726 /nfs/dbraw/zinc/35/57/26/335355726.db2.gz BZPSJUXGKCEEPT-GFCCVEGCSA-N 1 1 300.324 3.708 20 30 DHEDMO C[C@H](CC#N)[N@@H+](C)CCCOc1cccc(C(F)(F)F)c1 ZINC000345858093 335355727 /nfs/dbraw/zinc/35/57/27/335355727.db2.gz BZPSJUXGKCEEPT-GFCCVEGCSA-N 1 1 300.324 3.708 20 30 DHEDMO C=CCOc1ccccc1C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000346283100 335392222 /nfs/dbraw/zinc/39/22/22/335392222.db2.gz WYSRAOBBFCZLLC-CQSZACIVSA-N 1 1 302.443 3.943 20 30 DHEDMO N#Cc1ccccc1N1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000347646296 335517105 /nfs/dbraw/zinc/51/71/05/335517105.db2.gz FCKRSXBYJLFXBX-UHFFFAOYSA-N 1 1 317.392 3.627 20 30 DHEDMO CCCn1cc[nH+]c1CCCN(C)c1c(F)cc(C#N)cc1F ZINC000192235597 336022494 /nfs/dbraw/zinc/02/24/94/336022494.db2.gz NPCZCMBDUSXXRV-UHFFFAOYSA-N 1 1 318.371 3.512 20 30 DHEDMO Cc1nc(C2CC2)oc1C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000329795330 336082746 /nfs/dbraw/zinc/08/27/46/336082746.db2.gz WHQXFOWOLCXGOD-FRRDWIJNSA-N 1 1 319.449 3.531 20 30 DHEDMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+]([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000329837244 336088199 /nfs/dbraw/zinc/08/81/99/336088199.db2.gz VJOWDNKDYFOCOU-SOLBZPMBSA-N 1 1 324.428 3.753 20 30 DHEDMO Cc1nc(CC(C)C)oc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000330021555 336106752 /nfs/dbraw/zinc/10/67/52/336106752.db2.gz XZXHFKHKYLDTGI-GOOCMWNKSA-N 1 1 319.449 3.501 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](CC[C@@H](O)c3ccccc3)CC2)cc1 ZINC000367132676 336124610 /nfs/dbraw/zinc/12/46/10/336124610.db2.gz FFIYGAYITVUUOF-OAQYLSRUSA-N 1 1 318.420 3.771 20 30 DHEDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccn(C2CCCC2)n1 ZINC000330298393 336137493 /nfs/dbraw/zinc/13/74/93/336137493.db2.gz LORSQIOVXPQUBQ-INIZCTEOSA-N 1 1 318.465 3.719 20 30 DHEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332622443 336176805 /nfs/dbraw/zinc/17/68/05/336176805.db2.gz COXKZNUZJIMOLJ-BBRMVZONSA-N 1 1 310.401 3.619 20 30 DHEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2Cl)[C@@H]1[C@H]1CCCO1 ZINC000351981605 336185590 /nfs/dbraw/zinc/18/55/90/336185590.db2.gz KJAKZVOZQLCUII-HZPDHXFCSA-N 1 1 304.821 3.601 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@H]1[C@H]1CCCO1 ZINC000351981605 336185591 /nfs/dbraw/zinc/18/55/91/336185591.db2.gz KJAKZVOZQLCUII-HZPDHXFCSA-N 1 1 304.821 3.601 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(-n2ccnc2)cc1 ZINC000352702148 336231401 /nfs/dbraw/zinc/23/14/01/336231401.db2.gz SBEDBMKFWOBVET-UHFFFAOYSA-N 1 1 307.397 3.696 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000532414912 336245604 /nfs/dbraw/zinc/24/56/04/336245604.db2.gz QSBNTNAOHFAXPH-MRXNPFEDSA-N 1 1 308.491 3.850 20 30 DHEDMO C[C@@H]([N@@H+](C)CC(=O)Nc1ccccc1SCC#N)C(C)(C)C ZINC000532489696 336250276 /nfs/dbraw/zinc/25/02/76/336250276.db2.gz PEBPUSFOAQEHDK-CYBMUJFWSA-N 1 1 319.474 3.607 20 30 DHEDMO C[C@@H]1C[C@H](CCNc2ncccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000532797318 336271674 /nfs/dbraw/zinc/27/16/74/336271674.db2.gz UVHAPUMCGSOYRJ-AEFFLSMTSA-N 1 1 320.440 3.666 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc(F)cc2C#N)cc1F ZINC000301155791 336292438 /nfs/dbraw/zinc/29/24/38/336292438.db2.gz ACWLXQAQMWARFS-UHFFFAOYSA-N 1 1 324.334 3.943 20 30 DHEDMO N#Cc1ccc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000301197472 336294414 /nfs/dbraw/zinc/29/44/14/336294414.db2.gz OCGHYDZKFGNNCD-SFHVURJKSA-N 1 1 323.415 3.674 20 30 DHEDMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cccc(C#N)c1F)CCC2 ZINC000352883842 336324349 /nfs/dbraw/zinc/32/43/49/336324349.db2.gz KKSRSXKLZBYAPD-OAHLLOKOSA-N 1 1 315.417 3.972 20 30 DHEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cccc(C#N)c1F)CCC2 ZINC000352883842 336324350 /nfs/dbraw/zinc/32/43/50/336324350.db2.gz KKSRSXKLZBYAPD-OAHLLOKOSA-N 1 1 315.417 3.972 20 30 DHEDMO CC[C@H](C#N)Oc1cccc(CNc2[nH]c3ccccc3[nH+]2)c1 ZINC000301888099 336336419 /nfs/dbraw/zinc/33/64/19/336336419.db2.gz PWFFTCYCOQOCJW-CQSZACIVSA-N 1 1 306.369 3.856 20 30 DHEDMO C[C@@H](CNc1ccc2cc(C#N)ccc2n1)[N@H+]1CCC[C@@H](C)C1 ZINC000301975722 336340999 /nfs/dbraw/zinc/34/09/99/336340999.db2.gz LWKXPFMNGCDRGY-CABCVRRESA-N 1 1 308.429 3.639 20 30 DHEDMO C[C@@H](Nc1cccc(F)c1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000302035100 336344596 /nfs/dbraw/zinc/34/45/96/336344596.db2.gz FBSHYVZAARIPLL-KGLIPLIRSA-N 1 1 301.409 3.762 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000302036024 336344620 /nfs/dbraw/zinc/34/46/20/336344620.db2.gz JXUJTEIKDASXHX-HOTGVXAUSA-N 1 1 315.436 3.788 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1F ZINC000352894367 336365514 /nfs/dbraw/zinc/36/55/14/336365514.db2.gz SMVUYQUOWNACGN-MRXNPFEDSA-N 1 1 324.355 3.763 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1F ZINC000352894367 336365515 /nfs/dbraw/zinc/36/55/15/336365515.db2.gz SMVUYQUOWNACGN-MRXNPFEDSA-N 1 1 324.355 3.763 20 30 DHEDMO C=CC[NH+](CC=C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000514117051 336367870 /nfs/dbraw/zinc/36/78/70/336367870.db2.gz PXNZRWWPLZKRFV-AWEZNQCLSA-N 1 1 306.837 3.533 20 30 DHEDMO C[C@@H]1C[C@@H](Nc2c(C#N)cccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000302898411 336373667 /nfs/dbraw/zinc/37/36/67/336373667.db2.gz RTCGRLZDLMZRRC-DNVCBOLYSA-N 1 1 316.408 3.505 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(OCC)c(OC)c1 ZINC000352934045 336378116 /nfs/dbraw/zinc/37/81/16/336378116.db2.gz UDEWIIDRUIMWIA-UHFFFAOYSA-N 1 1 315.413 3.918 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2cnccc2OC)cc1Cl ZINC000353610368 336428590 /nfs/dbraw/zinc/42/85/90/336428590.db2.gz UAQGWYUNWJRGCJ-UHFFFAOYSA-N 1 1 318.804 3.598 20 30 DHEDMO COc1cc(C[NH2+][C@@H](C)c2c(F)cccc2OC)ccc1C#N ZINC000353662457 336432839 /nfs/dbraw/zinc/43/28/39/336432839.db2.gz RNMFINWOFCQRPU-LBPRGKRZSA-N 1 1 314.360 3.565 20 30 DHEDMO Cc1ccc(-c2ncc(C[NH+]3CCC(C)(C#N)CC3)s2)o1 ZINC000356943638 336566838 /nfs/dbraw/zinc/56/68/38/336566838.db2.gz CYVXNKYTQMGMAR-UHFFFAOYSA-N 1 1 301.415 3.837 20 30 DHEDMO C[NH+](C)Cc1ccc(NC(=O)c2sccc2C#N)cc1Cl ZINC000357936461 336603821 /nfs/dbraw/zinc/60/38/21/336603821.db2.gz ZKGSUXGBQQOEEH-UHFFFAOYSA-N 1 1 319.817 3.587 20 30 DHEDMO C[C@H]([NH2+]Cc1nccn1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000359862471 336690326 /nfs/dbraw/zinc/69/03/26/336690326.db2.gz PKTCQXLFLZOUEU-HNNXBMFYSA-N 1 1 316.408 3.810 20 30 DHEDMO CCOc1cc(C[NH2+]CC2(C#N)CCC2)ccc1OCC(C)C ZINC000418139596 336896277 /nfs/dbraw/zinc/89/62/77/336896277.db2.gz HRYSJODHVCFIDH-UHFFFAOYSA-N 1 1 316.445 3.904 20 30 DHEDMO Cc1[nH+]c(CNc2ccc(C#N)c(Cl)c2)c2n1CCCC2 ZINC000371432243 336903945 /nfs/dbraw/zinc/90/39/45/336903945.db2.gz JDZLQMWWHBHMLM-UHFFFAOYSA-N 1 1 300.793 3.665 20 30 DHEDMO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000375718454 337017665 /nfs/dbraw/zinc/01/76/65/337017665.db2.gz KJXYQVOTGYVDNM-MRXNPFEDSA-N 1 1 319.449 3.602 20 30 DHEDMO C[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1c(F)cncc1F ZINC000376107268 337027236 /nfs/dbraw/zinc/02/72/36/337027236.db2.gz RCOJAZYUIYDRML-LVIIFESRSA-N 1 1 313.351 3.634 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000122895664 337028131 /nfs/dbraw/zinc/02/81/31/337028131.db2.gz VGHSPLPOGWPVHD-INIZCTEOSA-N 1 1 313.445 3.667 20 30 DHEDMO C[C@@H](c1ccccc1F)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000376594142 337037601 /nfs/dbraw/zinc/03/76/01/337037601.db2.gz CPZMMLAVCLQVRO-HNNXBMFYSA-N 1 1 309.388 3.839 20 30 DHEDMO N#CCCn1cc(C[N@H+]2CC[C@@H](C3CC3)C2)c(-c2ccccc2)n1 ZINC000377395125 337051724 /nfs/dbraw/zinc/05/17/24/337051724.db2.gz ZXDAVQFCAMFZKN-GOSISDBHSA-N 1 1 320.440 3.696 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000377691264 337058486 /nfs/dbraw/zinc/05/84/86/337058486.db2.gz FHUPMUQCBQBFHI-UHFFFAOYSA-N 1 1 303.425 3.668 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCCc3occc3C2)c1 ZINC000377868689 337063079 /nfs/dbraw/zinc/06/30/79/337063079.db2.gz KMIMJMWTRCCSIV-UHFFFAOYSA-N 1 1 310.397 3.911 20 30 DHEDMO COc1ccc([C@H](O)[C@H]2CCC[N@H+]2CCCC(C)(C)C#N)cc1 ZINC000378248062 337068750 /nfs/dbraw/zinc/06/87/50/337068750.db2.gz MPQHHEJPLKQHIE-MSOLQXFVSA-N 1 1 316.445 3.523 20 30 DHEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1cccc(OCCCC#N)c1 ZINC000193907043 337081331 /nfs/dbraw/zinc/08/13/31/337081331.db2.gz KFXKSKINZBLUKY-RVKKMQEKSA-N 1 1 301.434 3.510 20 30 DHEDMO N#Cc1ccccc1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000172308457 337091657 /nfs/dbraw/zinc/09/16/57/337091657.db2.gz CVCDGUQDDPTVFM-UHFFFAOYSA-N 1 1 310.372 3.741 20 30 DHEDMO C[C@@H](C[N@@H+](Cc1cc(C#N)cs1)[C@@H](C)CO)c1ccccc1 ZINC000582718700 337124625 /nfs/dbraw/zinc/12/46/25/337124625.db2.gz ZGBASNRAQQEJGB-GJZGRUSLSA-N 1 1 314.454 3.606 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000172902277 337132401 /nfs/dbraw/zinc/13/24/01/337132401.db2.gz WIZOGWAFMWJIPC-AUUYWEPGSA-N 1 1 310.372 3.659 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000172902277 337132402 /nfs/dbraw/zinc/13/24/02/337132402.db2.gz WIZOGWAFMWJIPC-AUUYWEPGSA-N 1 1 310.372 3.659 20 30 DHEDMO N#CCSCCC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000174115724 337139334 /nfs/dbraw/zinc/13/93/34/337139334.db2.gz YROFNSWWKBFFOO-AWEZNQCLSA-N 1 1 315.442 3.654 20 30 DHEDMO CCCC[N@@H+](CC)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174817350 337143729 /nfs/dbraw/zinc/14/37/29/337143729.db2.gz VUPHODPMESWJQN-UHFFFAOYSA-N 1 1 311.429 3.860 20 30 DHEDMO C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000175621107 337148520 /nfs/dbraw/zinc/14/85/20/337148520.db2.gz AMFIUGRNGNPOOW-YQQQUEKLSA-N 1 1 312.457 3.655 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000177397491 337155667 /nfs/dbraw/zinc/15/56/67/337155667.db2.gz BFRYSSCBDINSAZ-MRXNPFEDSA-N 1 1 310.422 3.857 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000177397491 337155668 /nfs/dbraw/zinc/15/56/68/337155668.db2.gz BFRYSSCBDINSAZ-MRXNPFEDSA-N 1 1 310.422 3.857 20 30 DHEDMO Cn1cccc1[C@@H]1CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000177691043 337158537 /nfs/dbraw/zinc/15/85/37/337158537.db2.gz BAKGOEAEFXTTTQ-IBGZPJMESA-N 1 1 309.413 3.503 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000582789150 337166422 /nfs/dbraw/zinc/16/64/22/337166422.db2.gz SJGZKSKZVALETK-UGSOOPFHSA-N 1 1 307.353 3.659 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000582789150 337166423 /nfs/dbraw/zinc/16/64/23/337166423.db2.gz SJGZKSKZVALETK-UGSOOPFHSA-N 1 1 307.353 3.659 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1C ZINC000179939370 337172678 /nfs/dbraw/zinc/17/26/78/337172678.db2.gz KDHZFPQNZQDRLL-UHFFFAOYSA-N 1 1 312.388 3.654 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000184094571 337196103 /nfs/dbraw/zinc/19/61/03/337196103.db2.gz OIBSIAFBGWNDGS-LLVKDONJSA-N 1 1 304.287 3.549 20 30 DHEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000583136831 337243392 /nfs/dbraw/zinc/24/33/92/337243392.db2.gz UZBIGKYCYIZCIB-DOTOQJQBSA-N 1 1 316.445 3.846 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000185985754 337253727 /nfs/dbraw/zinc/25/37/27/337253727.db2.gz SZVAQJBWYODTJI-LSDHHAIUSA-N 1 1 311.429 3.960 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC3(CC3)C2)c(Br)c1 ZINC000186966260 337261825 /nfs/dbraw/zinc/26/18/25/337261825.db2.gz ZSQWCTPHLSDXDI-UHFFFAOYSA-N 1 1 305.219 3.697 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCCC3(CC3)C2)c(Br)c1 ZINC000186966260 337261826 /nfs/dbraw/zinc/26/18/26/337261826.db2.gz ZSQWCTPHLSDXDI-UHFFFAOYSA-N 1 1 305.219 3.697 20 30 DHEDMO CCC1CCC([N@@H+](C)CCC(=O)Nc2ccccc2C#N)CC1 ZINC000321442315 337265663 /nfs/dbraw/zinc/26/56/63/337265663.db2.gz GESZDLSQOIUEJA-UHFFFAOYSA-N 1 1 313.445 3.787 20 30 DHEDMO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1nc(C(C)(C)C)cs1 ZINC000190980636 337291886 /nfs/dbraw/zinc/29/18/86/337291886.db2.gz VELBZZCGCDLOEB-LLVKDONJSA-N 1 1 302.447 3.502 20 30 DHEDMO C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2cc(C#N)n(C)c2)C2CC2)o1 ZINC000191223172 337295084 /nfs/dbraw/zinc/29/50/84/337295084.db2.gz PKOCZZVMCCUXLJ-SCLBCKFNSA-N 1 1 309.413 3.778 20 30 DHEDMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](Cc2cc(C#N)n(C)c2)C2CC2)o1 ZINC000191223172 337295085 /nfs/dbraw/zinc/29/50/85/337295085.db2.gz PKOCZZVMCCUXLJ-SCLBCKFNSA-N 1 1 309.413 3.778 20 30 DHEDMO C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2cc(C#N)n(C)c2)C2CC2)o1 ZINC000191223154 337295090 /nfs/dbraw/zinc/29/50/90/337295090.db2.gz PKOCZZVMCCUXLJ-FZKQIMNGSA-N 1 1 309.413 3.778 20 30 DHEDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2cc(C#N)n(C)c2)C2CC2)o1 ZINC000191223154 337295091 /nfs/dbraw/zinc/29/50/91/337295091.db2.gz PKOCZZVMCCUXLJ-FZKQIMNGSA-N 1 1 309.413 3.778 20 30 DHEDMO Cn1cc(CNc2cc(CCc3ccccc3)cc[nH+]2)cc1C#N ZINC000191549969 337298990 /nfs/dbraw/zinc/29/89/90/337298990.db2.gz AJOZMUVNULALIY-UHFFFAOYSA-N 1 1 316.408 3.689 20 30 DHEDMO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000192193038 337303914 /nfs/dbraw/zinc/30/39/14/337303914.db2.gz KTCBWEDAFYCHMN-UHFFFAOYSA-N 1 1 322.387 3.609 20 30 DHEDMO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccccc1Cl ZINC000025396072 337326643 /nfs/dbraw/zinc/32/66/43/337326643.db2.gz CGPYCAMOJYEFPO-GFCCVEGCSA-N 1 1 313.788 3.501 20 30 DHEDMO CCCCCOc1cc(C[NH2+]CC2(C#N)CC2)ccc1OC ZINC000572341711 337610635 /nfs/dbraw/zinc/61/06/35/337610635.db2.gz AMOICPMUXBYMDX-UHFFFAOYSA-N 1 1 302.418 3.658 20 30 DHEDMO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc(C)cc1 ZINC000537059141 337883117 /nfs/dbraw/zinc/88/31/17/337883117.db2.gz QXIRXKUGIRFCIG-IBGZPJMESA-N 1 1 322.408 3.894 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000084134464 338000297 /nfs/dbraw/zinc/00/02/97/338000297.db2.gz HIUAANCOGALRAM-LJQANCHMSA-N 1 1 324.399 3.531 20 30 DHEDMO C=CCCCC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000516147627 338005464 /nfs/dbraw/zinc/00/54/64/338005464.db2.gz PKKWPBNGBKJKGP-VQIMIIECSA-N 1 1 315.461 3.732 20 30 DHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000426458363 338032884 /nfs/dbraw/zinc/03/28/84/338032884.db2.gz JHCJFHHASODFPF-GOEBONIOSA-N 1 1 309.331 3.811 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000428225265 338043223 /nfs/dbraw/zinc/04/32/23/338043223.db2.gz RTQDEGOMWMPYJD-SFHVURJKSA-N 1 1 324.399 3.531 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000428225265 338043224 /nfs/dbraw/zinc/04/32/24/338043224.db2.gz RTQDEGOMWMPYJD-SFHVURJKSA-N 1 1 324.399 3.531 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000428359723 338048646 /nfs/dbraw/zinc/04/86/46/338048646.db2.gz AOASNEFOBWZMCQ-FQEVSTJZSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000428359723 338048647 /nfs/dbraw/zinc/04/86/47/338048647.db2.gz AOASNEFOBWZMCQ-FQEVSTJZSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1c(F)cccc1C[NH+]1CCC(COc2ccccc2)CC1 ZINC000428453554 338052557 /nfs/dbraw/zinc/05/25/57/338052557.db2.gz BCURLLZVDFKIAY-UHFFFAOYSA-N 1 1 324.399 3.988 20 30 DHEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](C)Cc1ccsc1 ZINC000428470956 338053972 /nfs/dbraw/zinc/05/39/72/338053972.db2.gz UJHNAUSNWRPUQP-AWEZNQCLSA-N 1 1 324.453 3.721 20 30 DHEDMO CC#CCC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428778972 338060892 /nfs/dbraw/zinc/06/08/92/338060892.db2.gz DHDUZESZMHEXNO-XJKSGUPXSA-N 1 1 311.347 3.881 20 30 DHEDMO CC#CCC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428778972 338060893 /nfs/dbraw/zinc/06/08/93/338060893.db2.gz DHDUZESZMHEXNO-XJKSGUPXSA-N 1 1 311.347 3.881 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000428979188 338067596 /nfs/dbraw/zinc/06/75/96/338067596.db2.gz LRGRWFUIMYPETR-FQEVSTJZSA-N 1 1 322.383 3.667 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000428979188 338067597 /nfs/dbraw/zinc/06/75/97/338067597.db2.gz LRGRWFUIMYPETR-FQEVSTJZSA-N 1 1 322.383 3.667 20 30 DHEDMO C[C@]1(O)CCCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428994879 338068243 /nfs/dbraw/zinc/06/82/43/338068243.db2.gz PYWPFMTZWUVKAU-WDSOQIARSA-N 1 1 316.420 3.603 20 30 DHEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2Br)C1 ZINC000429577331 338084809 /nfs/dbraw/zinc/08/48/09/338084809.db2.gz FOCPHBLACRITSI-FZMZJTMJSA-N 1 1 307.235 3.941 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2cnnn2Cc2ccccc2)CCCC1(C)C ZINC000430079895 338095012 /nfs/dbraw/zinc/09/50/12/338095012.db2.gz STNGVUHKHFRSDN-LJQANCHMSA-N 1 1 324.472 3.893 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](CSC)C2)cc1OC ZINC000430198835 338101023 /nfs/dbraw/zinc/10/10/23/338101023.db2.gz QGQDAJRJULVMMP-MRXNPFEDSA-N 1 1 321.486 3.835 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430294278 338104652 /nfs/dbraw/zinc/10/46/52/338104652.db2.gz GBEUUDVZMNIRBE-IRXDYDNUSA-N 1 1 300.446 3.716 20 30 DHEDMO C=CCCCCC[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000430293865 338104684 /nfs/dbraw/zinc/10/46/84/338104684.db2.gz FQALPYJOPNHVMV-KRWDZBQOSA-N 1 1 300.446 3.718 20 30 DHEDMO C=CCN(C)C(=O)NCc1cccc(C[N@H+](CC)CCCC)c1 ZINC000430357389 338105744 /nfs/dbraw/zinc/10/57/44/338105744.db2.gz SIAZHTZKUBMDLV-UHFFFAOYSA-N 1 1 317.477 3.636 20 30 DHEDMO CC(C)(C)c1nnc(C[NH2+][C@H](CCCC#N)c2ccccc2)[nH]1 ZINC000433028109 338177293 /nfs/dbraw/zinc/17/72/93/338177293.db2.gz NOBRRJIEAHMEHX-OAHLLOKOSA-N 1 1 311.433 3.627 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433310729 338191432 /nfs/dbraw/zinc/19/14/32/338191432.db2.gz DKKXMVWNOHIQPQ-MRXNPFEDSA-N 1 1 320.864 3.554 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433310729 338191433 /nfs/dbraw/zinc/19/14/33/338191433.db2.gz DKKXMVWNOHIQPQ-MRXNPFEDSA-N 1 1 320.864 3.554 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCSC(C)(C)CC2)cc(OC)c1O ZINC000435046665 338230873 /nfs/dbraw/zinc/23/08/73/338230873.db2.gz VNFLPACWFZKNBA-UHFFFAOYSA-N 1 1 321.486 3.847 20 30 DHEDMO C=CCC[C@@H](NC(=O)NCC[N@H+](CC)C(C)C)c1ccccc1 ZINC000435098607 338232043 /nfs/dbraw/zinc/23/20/43/338232043.db2.gz ZITIXKUJTWWJKE-GOSISDBHSA-N 1 1 317.477 3.723 20 30 DHEDMO N#Cc1cnc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)c(Cl)c1 ZINC000435582992 338242776 /nfs/dbraw/zinc/24/27/76/338242776.db2.gz CWGJIHWJTJWDPE-HNNXBMFYSA-N 1 1 318.852 3.816 20 30 DHEDMO C=C(C)[C@@H]1OCC[C@@H]1CNc1c(C)c[nH+]c2c(OC)cccc12 ZINC000435593402 338243142 /nfs/dbraw/zinc/24/31/42/338243142.db2.gz QGZQRAIPAZREGP-KUHUBIRLSA-N 1 1 312.413 3.945 20 30 DHEDMO CCCC[C@H](C)[N@@H+](CCCC)Cc1cnc2c(C#N)cnn2c1 ZINC000572483659 338253538 /nfs/dbraw/zinc/25/35/38/338253538.db2.gz KQCBOGHMHHQGGU-HNNXBMFYSA-N 1 1 313.449 3.782 20 30 DHEDMO N#Cc1c(C[N@H+]2CC[C@@H]2Cc2ccccc2)cn2ccccc12 ZINC000437829578 338322693 /nfs/dbraw/zinc/32/26/93/338322693.db2.gz SIZHZDCTUKHDJX-GOSISDBHSA-N 1 1 301.393 3.628 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCOCC1 ZINC000437894298 338324353 /nfs/dbraw/zinc/32/43/53/338324353.db2.gz XKORFAKSJDFYDN-UHFFFAOYSA-N 1 1 324.371 3.549 20 30 DHEDMO CCC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000438062773 338329419 /nfs/dbraw/zinc/32/94/19/338329419.db2.gz XOCYEHYRKPDBOI-IPMKNSEASA-N 1 1 315.432 3.703 20 30 DHEDMO COc1ccc(C[N@@H+](C)CC2(c3ccccc3)CC2)cc1C#N ZINC000438263686 338338126 /nfs/dbraw/zinc/33/81/26/338338126.db2.gz VIWYFDRRBAHGNG-UHFFFAOYSA-N 1 1 306.409 3.730 20 30 DHEDMO CC(C)(C)OC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439449667 338369760 /nfs/dbraw/zinc/36/97/60/338369760.db2.gz IVGGILUPYGNJCV-UHFFFAOYSA-N 1 1 306.837 3.991 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1Cl ZINC000449572086 338638757 /nfs/dbraw/zinc/63/87/57/338638757.db2.gz MRRIYWFQFBRGRM-WFASDCNBSA-N 1 1 317.820 3.897 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c(Cl)c1 ZINC000162915789 338671977 /nfs/dbraw/zinc/67/19/77/338671977.db2.gz AKINMMLVMIANDY-UHFFFAOYSA-N 1 1 302.727 3.986 20 30 DHEDMO C=CCC(C)(C)CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458627924 339002070 /nfs/dbraw/zinc/00/20/70/339002070.db2.gz HEGQHFCFDITPHV-JKSUJKDBSA-N 1 1 321.509 3.541 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459373650 339025338 /nfs/dbraw/zinc/02/53/38/339025338.db2.gz LEJSINMALNBBMD-RHSMWYFYSA-N 1 1 321.380 3.844 20 30 DHEDMO C=CCOc1ccc(C[NH+]2CC3(C2)CCCOC3)cc1Cl ZINC000459601980 339038140 /nfs/dbraw/zinc/03/81/40/339038140.db2.gz DBUMQWWJSIRPST-UHFFFAOYSA-N 1 1 307.821 3.517 20 30 DHEDMO Cc1nc(NC[C@H]2CCC[N@H+](CC(C)C)C2)c(Cl)cc1C#N ZINC000461974165 339070219 /nfs/dbraw/zinc/07/02/19/339070219.db2.gz SHHKGQYPOXEXQR-CQSZACIVSA-N 1 1 320.868 3.695 20 30 DHEDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000462077574 339071924 /nfs/dbraw/zinc/07/19/24/339071924.db2.gz XNIDLGCCBWOCMR-INIZCTEOSA-N 1 1 311.454 3.721 20 30 DHEDMO CC#CCC[N@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000462317913 339075600 /nfs/dbraw/zinc/07/56/00/339075600.db2.gz RTZDMUXTRBVVTQ-UHFFFAOYSA-N 1 1 309.356 3.674 20 30 DHEDMO C=CCOc1ccc(CN[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000462750791 339086859 /nfs/dbraw/zinc/08/68/59/339086859.db2.gz RAYGAJGEMCKKCB-IBGZPJMESA-N 1 1 314.473 3.606 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H]2CCN(CC3CCCC3)C2)cc1 ZINC000462750791 339086860 /nfs/dbraw/zinc/08/68/60/339086860.db2.gz RAYGAJGEMCKKCB-IBGZPJMESA-N 1 1 314.473 3.606 20 30 DHEDMO C[N@@H+](CCc1cccc(Br)c1)Cc1ccc(C#N)o1 ZINC000462826890 339092646 /nfs/dbraw/zinc/09/26/46/339092646.db2.gz GMICUDIJUSERMX-UHFFFAOYSA-N 1 1 319.202 3.588 20 30 DHEDMO C[N@@H+](CCc1cccc(Br)c1)CCC(C)(C)C#N ZINC000463411197 339116794 /nfs/dbraw/zinc/11/67/94/339116794.db2.gz CKZSWYDLQQQDKS-UHFFFAOYSA-N 1 1 309.251 3.863 20 30 DHEDMO CCC[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000464843296 339156917 /nfs/dbraw/zinc/15/69/17/339156917.db2.gz SHFDNRDIULENCJ-BEFAXECRSA-N 1 1 313.445 3.787 20 30 DHEDMO C=CC[C@H](CC)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000466391561 339202137 /nfs/dbraw/zinc/20/21/37/339202137.db2.gz HHGHWHLWFCIRTH-KURKYZTESA-N 1 1 321.509 3.637 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000466682215 339212920 /nfs/dbraw/zinc/21/29/20/339212920.db2.gz XHERSRQMVRNMRS-KBPBESRZSA-N 1 1 304.459 3.776 20 30 DHEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CCCSCC#N ZINC000466734884 339214896 /nfs/dbraw/zinc/21/48/96/339214896.db2.gz HSPIJRSTXDIISN-KRWDZBQOSA-N 1 1 308.466 3.971 20 30 DHEDMO COCC[C@H]1CCCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000467274834 339229712 /nfs/dbraw/zinc/22/97/12/339229712.db2.gz JBZOZYDUNFVAEZ-MRXNPFEDSA-N 1 1 305.849 3.830 20 30 DHEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000467294539 339230163 /nfs/dbraw/zinc/23/01/63/339230163.db2.gz ADYUEPNJOBOLDG-CVEARBPZSA-N 1 1 310.441 3.913 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000467297753 339230336 /nfs/dbraw/zinc/23/03/36/339230336.db2.gz QXRAFYYRYHNOIM-FQEVSTJZSA-N 1 1 322.452 3.595 20 30 DHEDMO N#Cc1cccc(CC[NH2+][C@@H](Cc2ccccc2)C(F)F)c1 ZINC000467431424 339238028 /nfs/dbraw/zinc/23/80/28/339238028.db2.gz ZDGKUPSNKJJEHR-KRWDZBQOSA-N 1 1 300.352 3.567 20 30 DHEDMO C=C[C@](C)(CC)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000467904726 339249034 /nfs/dbraw/zinc/24/90/34/339249034.db2.gz WBZWCZMRANWJSK-AZUAARDMSA-N 1 1 314.473 3.616 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000469477923 339290898 /nfs/dbraw/zinc/29/08/98/339290898.db2.gz LRIYDUKXJRYORM-MJGOQNOKSA-N 1 1 316.489 3.862 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000469477922 339290947 /nfs/dbraw/zinc/29/09/47/339290947.db2.gz LRIYDUKXJRYORM-IEBWSBKVSA-N 1 1 316.489 3.862 20 30 DHEDMO C=CCCCC(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000469751856 339297606 /nfs/dbraw/zinc/29/76/06/339297606.db2.gz KSBLXDPRTVMOCL-GOSISDBHSA-N 1 1 302.462 3.616 20 30 DHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000469990713 339307098 /nfs/dbraw/zinc/30/70/98/339307098.db2.gz KQDPWPYFTZQGOV-CYBMUJFWSA-N 1 1 300.299 3.860 20 30 DHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000469990713 339307099 /nfs/dbraw/zinc/30/70/99/339307099.db2.gz KQDPWPYFTZQGOV-CYBMUJFWSA-N 1 1 300.299 3.860 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000472349973 339370601 /nfs/dbraw/zinc/37/06/01/339370601.db2.gz PGKLHAYERHWGKZ-KXBFYZLASA-N 1 1 318.436 3.633 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)c1ccccc1Br ZINC000472752192 339376879 /nfs/dbraw/zinc/37/68/79/339376879.db2.gz QOHGSCDNAAICBW-QWHCGFSZSA-N 1 1 312.251 3.769 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000472774380 339377287 /nfs/dbraw/zinc/37/72/87/339377287.db2.gz XPOVVEBNFOJELU-PZJWPPBQSA-N 1 1 307.437 3.961 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000499047912 339383190 /nfs/dbraw/zinc/38/31/90/339383190.db2.gz KOOXXQDYFCTAOK-XHSDSOJGSA-N 1 1 320.502 3.914 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000499047912 339383191 /nfs/dbraw/zinc/38/31/91/339383191.db2.gz KOOXXQDYFCTAOK-XHSDSOJGSA-N 1 1 320.502 3.914 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C1CCCCC1 ZINC000473741676 339391150 /nfs/dbraw/zinc/39/11/50/339391150.db2.gz KBDOOQXFNKDITG-IBGZPJMESA-N 1 1 300.446 3.711 20 30 DHEDMO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000496265025 340001783 /nfs/dbraw/zinc/00/17/83/340001783.db2.gz QBJCHHHZBOCEMI-OAHLLOKOSA-N 1 1 323.481 3.696 20 30 DHEDMO CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2[NH2+]CCC#N ZINC000496310141 340002795 /nfs/dbraw/zinc/00/27/95/340002795.db2.gz NNSKOPIGALEMRU-MRXNPFEDSA-N 1 1 315.417 3.914 20 30 DHEDMO CC[N@@H+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@@H](C)C#N ZINC000497010066 340018152 /nfs/dbraw/zinc/01/81/52/340018152.db2.gz VTLCLYMNFIDANL-JKSUJKDBSA-N 1 1 323.481 3.505 20 30 DHEDMO C[C@@H]([NH2+][C@H](CO)c1cccc(Cl)c1F)c1ccc(C#N)cc1 ZINC000499939057 340047288 /nfs/dbraw/zinc/04/72/88/340047288.db2.gz NFNKJHGZNNCBSR-BDJLRTHQSA-N 1 1 318.779 3.735 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000500239489 340053765 /nfs/dbraw/zinc/05/37/65/340053765.db2.gz YIIVXUHWSHSUEF-LJQANCHMSA-N 1 1 310.372 3.741 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000500239489 340053766 /nfs/dbraw/zinc/05/37/66/340053766.db2.gz YIIVXUHWSHSUEF-LJQANCHMSA-N 1 1 310.372 3.741 20 30 DHEDMO COc1ccc(C#N)cc1N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000500968170 340071137 /nfs/dbraw/zinc/07/11/37/340071137.db2.gz FQTONYCTTRYSMQ-QAPCUYQASA-N 1 1 321.424 3.814 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000501206497 340076043 /nfs/dbraw/zinc/07/60/43/340076043.db2.gz CHOKUZGEVCPRGE-UHFFFAOYSA-N 1 1 324.399 3.913 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000501203167 340076062 /nfs/dbraw/zinc/07/60/62/340076062.db2.gz LDRQRVXODUGDRN-QGZVFWFLSA-N 1 1 306.409 3.865 20 30 DHEDMO C=CCC(C)(C)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000501307749 340078428 /nfs/dbraw/zinc/07/84/28/340078428.db2.gz MDHFUDHTVYQYSX-SFHVURJKSA-N 1 1 314.473 3.616 20 30 DHEDMO COc1ccc(C[N@@H+](CCC(C)(C)C#N)CC2CC2)c(OC)c1 ZINC000503238804 340123803 /nfs/dbraw/zinc/12/38/03/340123803.db2.gz BSFOCEFSCWORAB-UHFFFAOYSA-N 1 1 316.445 3.856 20 30 DHEDMO C=CCCC[C@@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503268802 340124425 /nfs/dbraw/zinc/12/44/25/340124425.db2.gz KVEVGYARZPZWIV-SJORKVTESA-N 1 1 302.462 3.883 20 30 DHEDMO C=CCOc1ccccc1C[N@H+](CCOC)Cc1cccs1 ZINC000506031389 340183784 /nfs/dbraw/zinc/18/37/84/340183784.db2.gz QFCJTMWOVPDMDC-UHFFFAOYSA-N 1 1 317.454 3.962 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+](CCOC)Cc1cccs1 ZINC000506031389 340183785 /nfs/dbraw/zinc/18/37/85/340183785.db2.gz QFCJTMWOVPDMDC-UHFFFAOYSA-N 1 1 317.454 3.962 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000506324897 340192222 /nfs/dbraw/zinc/19/22/22/340192222.db2.gz JTWJCMQQVGYWPL-FQEVSTJZSA-N 1 1 309.409 3.825 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000506324897 340192223 /nfs/dbraw/zinc/19/22/23/340192223.db2.gz JTWJCMQQVGYWPL-FQEVSTJZSA-N 1 1 309.409 3.825 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCO[C@@H](CC)C1 ZINC000507798954 340231914 /nfs/dbraw/zinc/23/19/14/340231914.db2.gz WRFMDSIOLJKFDA-OALUTQOASA-N 1 1 300.446 3.975 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1F)[C@H](C)c1ccccc1 ZINC000508530127 340245888 /nfs/dbraw/zinc/24/58/88/340245888.db2.gz FRZFCFMVCWIHBB-OAHLLOKOSA-N 1 1 312.388 3.907 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1F)[C@H](C)c1ccccc1 ZINC000508530127 340245889 /nfs/dbraw/zinc/24/58/89/340245889.db2.gz FRZFCFMVCWIHBB-OAHLLOKOSA-N 1 1 312.388 3.907 20 30 DHEDMO Cc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1F ZINC000509121845 340261868 /nfs/dbraw/zinc/26/18/68/340261868.db2.gz JGBOPVLATVHUML-UHFFFAOYSA-N 1 1 323.415 3.718 20 30 DHEDMO CC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C[C@H](C)O ZINC000510145603 340290539 /nfs/dbraw/zinc/29/05/39/340290539.db2.gz SQECAAFRBXYLHZ-SFHVURJKSA-N 1 1 322.452 3.589 20 30 DHEDMO C=CC[N@@H+](CCc1nc(-c2ccccc2)no1)Cc1ccccc1 ZINC000510220426 340293036 /nfs/dbraw/zinc/29/30/36/340293036.db2.gz COQOJIGZSHEHJV-UHFFFAOYSA-N 1 1 319.408 3.967 20 30 DHEDMO Cc1ccccc1OCCC[N@H+](C)Cc1cc(C#N)cs1 ZINC000510421071 340298937 /nfs/dbraw/zinc/29/89/37/340298937.db2.gz IPGVNXWXVRNWLF-UHFFFAOYSA-N 1 1 300.427 3.829 20 30 DHEDMO Cc1ccccc1OCCC[N@H+](C)Cc1ccc(C#N)s1 ZINC000510470914 340300563 /nfs/dbraw/zinc/30/05/63/340300563.db2.gz YCQDXNGTRGRMCU-UHFFFAOYSA-N 1 1 300.427 3.829 20 30 DHEDMO C=CC[N@H+](Cc1cnc2ccc(C)cn12)Cc1ccc(OC)cc1 ZINC000510671211 340305887 /nfs/dbraw/zinc/30/58/87/340305887.db2.gz ZJOLEMFHDLDYNI-UHFFFAOYSA-N 1 1 321.424 3.840 20 30 DHEDMO C=CC[N@@H+](Cc1cnc2ccc(C)cn12)Cc1ccc(OC)cc1 ZINC000510671211 340305888 /nfs/dbraw/zinc/30/58/88/340305888.db2.gz ZJOLEMFHDLDYNI-UHFFFAOYSA-N 1 1 321.424 3.840 20 30 DHEDMO CC(C)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000303575744 340335119 /nfs/dbraw/zinc/33/51/19/340335119.db2.gz CNYLECZAYHHAGS-HOTGVXAUSA-N 1 1 313.445 3.643 20 30 DHEDMO C=C(C)C[N@@H+](CCc1cccc(F)c1F)Cc1ccc(CO)o1 ZINC000512209846 340352428 /nfs/dbraw/zinc/35/24/28/340352428.db2.gz CUKODWUYLIKREA-UHFFFAOYSA-N 1 1 321.367 3.671 20 30 DHEDMO C=C(C)C[N@@H+](CCc1ccc(F)c(F)c1)Cc1ccc(CO)o1 ZINC000512213060 340352630 /nfs/dbraw/zinc/35/26/30/340352630.db2.gz POHLZWWUORTKDD-UHFFFAOYSA-N 1 1 321.367 3.671 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000512293852 340355912 /nfs/dbraw/zinc/35/59/12/340355912.db2.gz MOPFPEBVBGWDBG-OAHLLOKOSA-N 1 1 319.408 3.722 20 30 DHEDMO C=CC[N@H+](Cc1ccc2c(c1)CCO2)Cc1cccc([N+](=O)[O-])c1 ZINC000512375548 340359383 /nfs/dbraw/zinc/35/93/83/340359383.db2.gz UOLGODXEEHVIHZ-UHFFFAOYSA-N 1 1 324.380 3.718 20 30 DHEDMO C=CC[N@@H+](Cc1ccc2c(c1)CCO2)Cc1cccc([N+](=O)[O-])c1 ZINC000512375548 340359384 /nfs/dbraw/zinc/35/93/84/340359384.db2.gz UOLGODXEEHVIHZ-UHFFFAOYSA-N 1 1 324.380 3.718 20 30 DHEDMO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512647254 340370806 /nfs/dbraw/zinc/37/08/06/340370806.db2.gz HDFLGIKXNIUYJT-JKSUJKDBSA-N 1 1 317.452 3.860 20 30 DHEDMO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512647252 340370837 /nfs/dbraw/zinc/37/08/37/340370837.db2.gz HDFLGIKXNIUYJT-HZPDHXFCSA-N 1 1 317.452 3.860 20 30 DHEDMO C[C@@H](NCC(C)(C)[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512659940 340371597 /nfs/dbraw/zinc/37/15/97/340371597.db2.gz KKJKJXFUDPCBNI-LSDHHAIUSA-N 1 1 317.452 3.858 20 30 DHEDMO C[C@@H]([NH2+]CC(C)(C)N1CCC[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512659940 340371598 /nfs/dbraw/zinc/37/15/98/340371598.db2.gz KKJKJXFUDPCBNI-LSDHHAIUSA-N 1 1 317.452 3.858 20 30 DHEDMO CN(C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1)C(=O)OC(C)(C)C ZINC000174847290 340397571 /nfs/dbraw/zinc/39/75/71/340397571.db2.gz TVFPEMFIPBMNCA-OAHLLOKOSA-N 1 1 323.481 3.505 20 30 DHEDMO N#Cc1csc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)c1 ZINC000529637655 340765912 /nfs/dbraw/zinc/76/59/12/340765912.db2.gz ULVCSHAQHSYLGP-UHFFFAOYSA-N 1 1 316.401 3.802 20 30 DHEDMO N#CCc1ccc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000542280060 341003390 /nfs/dbraw/zinc/00/33/90/341003390.db2.gz JHJCIJDAUBPDNY-NRFANRHFSA-N 1 1 320.436 3.586 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000542318854 341004543 /nfs/dbraw/zinc/00/45/43/341004543.db2.gz HXDHZDAWTHZWGD-GOSISDBHSA-N 1 1 306.409 3.865 20 30 DHEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)[C@H](COC)Cc1ccccc1 ZINC000543209117 341036873 /nfs/dbraw/zinc/03/68/73/341036873.db2.gz YLJBLQDAYLCCHZ-NRFANRHFSA-N 1 1 322.452 3.832 20 30 DHEDMO C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccc(C#N)c1 ZINC000130788379 341044094 /nfs/dbraw/zinc/04/40/94/341044094.db2.gz SMSSEFTYCXJWHH-UHFFFAOYSA-N 1 1 320.371 3.515 20 30 DHEDMO C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccc(C#N)c1 ZINC000130788379 341044095 /nfs/dbraw/zinc/04/40/95/341044095.db2.gz SMSSEFTYCXJWHH-UHFFFAOYSA-N 1 1 320.371 3.515 20 30 DHEDMO C[N@H+](Cc1cnc(-c2ccccn2)s1)Cc1ccc(C#N)cc1 ZINC000131208378 341065349 /nfs/dbraw/zinc/06/53/49/341065349.db2.gz HTCHZBWMMRUQNB-UHFFFAOYSA-N 1 1 320.421 3.709 20 30 DHEDMO C[N@@H+](Cc1cnc(-c2ccccn2)s1)Cc1ccc(C#N)cc1 ZINC000131208378 341065350 /nfs/dbraw/zinc/06/53/50/341065350.db2.gz HTCHZBWMMRUQNB-UHFFFAOYSA-N 1 1 320.421 3.709 20 30 DHEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000544068357 341069091 /nfs/dbraw/zinc/06/90/91/341069091.db2.gz JUBTZTOPGURPID-MGPUTAFESA-N 1 1 306.409 3.577 20 30 DHEDMO Cn1cc(C[N@H+]2CC[C@H](C(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000544366494 341078366 /nfs/dbraw/zinc/07/83/66/341078366.db2.gz VEAKCPYYKZIUOX-SFHVURJKSA-N 1 1 322.456 3.827 20 30 DHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000544699188 341091322 /nfs/dbraw/zinc/09/13/22/341091322.db2.gz XWNCWZGDYCMIEE-PMACEKPBSA-N 1 1 323.436 3.602 20 30 DHEDMO C[C@H]1CCC[C@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000073618350 341119332 /nfs/dbraw/zinc/11/93/32/341119332.db2.gz HLKXUKNLBLKAFF-WFASDCNBSA-N 1 1 319.836 3.661 20 30 DHEDMO CCO[C@H]1C[C@H]([N@@H+](C)CCCSCC#N)C12CCCCC2 ZINC000074991523 341159043 /nfs/dbraw/zinc/15/90/43/341159043.db2.gz FRKKOMKLDMYWIB-HOTGVXAUSA-N 1 1 310.507 3.693 20 30 DHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCSCC#N)C12CCCCC2 ZINC000074991524 341159058 /nfs/dbraw/zinc/15/90/58/341159058.db2.gz FRKKOMKLDMYWIB-HZPDHXFCSA-N 1 1 310.507 3.693 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(OC)c(C#N)c3)C2)cc1 ZINC000135017880 341228918 /nfs/dbraw/zinc/22/89/18/341228918.db2.gz RCZGPIVDULEEAE-QGZVFWFLSA-N 1 1 322.408 3.565 20 30 DHEDMO C[N@H+]1CCN(CC#Cc2ccccc2Cl)C2(CCCCC2)C1 ZINC000135128550 341231801 /nfs/dbraw/zinc/23/18/01/341231801.db2.gz BVQQVHLUYNXMPN-UHFFFAOYSA-N 1 1 316.876 3.642 20 30 DHEDMO COC(=O)CC[N@H+](Cc1ccccc1C(C)(C)C#N)CC(C)C ZINC000135151798 341232361 /nfs/dbraw/zinc/23/23/61/341232361.db2.gz DGYYKZTTYBHQLL-UHFFFAOYSA-N 1 1 316.445 3.509 20 30 DHEDMO Cc1csc(C(C)(C)[NH2+]CC#Cc2ccccc2Cl)n1 ZINC000135193107 341233172 /nfs/dbraw/zinc/23/31/72/341233172.db2.gz DMUZCRMHJARXNK-UHFFFAOYSA-N 1 1 304.846 3.981 20 30 DHEDMO C=CCC[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000548631338 341267888 /nfs/dbraw/zinc/26/78/88/341267888.db2.gz CVAXAROQRPMPPR-PKOBYXMFSA-N 1 1 314.473 3.583 20 30 DHEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000548730345 341270928 /nfs/dbraw/zinc/27/09/28/341270928.db2.gz XZTKMGCEWXAWSV-LRDDRELGSA-N 1 1 319.836 3.661 20 30 DHEDMO CC(C)C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000080746449 341274752 /nfs/dbraw/zinc/27/47/52/341274752.db2.gz NCDAEADZBHBXET-ZDUSSCGKSA-N 1 1 319.836 3.518 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245416483 341292363 /nfs/dbraw/zinc/29/23/63/341292363.db2.gz FESDLPXDCGDQLS-FOIQADDNSA-N 1 1 322.408 3.639 20 30 DHEDMO C=CCOCC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000549531662 341296524 /nfs/dbraw/zinc/29/65/24/341296524.db2.gz NBOUHTCGDGANLG-OAHLLOKOSA-N 1 1 309.837 3.633 20 30 DHEDMO C=CCOCC[N@H+](C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000549718180 341301348 /nfs/dbraw/zinc/30/13/48/341301348.db2.gz ZXHYJSMHPAPQDG-CYBMUJFWSA-N 1 1 301.352 3.771 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2cnc3ccc(C#N)cn23)CCCC1(C)C ZINC000551820913 341352999 /nfs/dbraw/zinc/35/29/99/341352999.db2.gz FFUIZVNHILAXDP-KRWDZBQOSA-N 1 1 308.429 3.773 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CC(=O)c2cccs2)s1 ZINC000552488296 341395927 /nfs/dbraw/zinc/39/59/27/341395927.db2.gz YUMURCMWULYMFE-LBPRGKRZSA-N 1 1 316.451 3.919 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)s1 ZINC000552488296 341395928 /nfs/dbraw/zinc/39/59/28/341395928.db2.gz YUMURCMWULYMFE-LBPRGKRZSA-N 1 1 316.451 3.919 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000568779907 341681359 /nfs/dbraw/zinc/68/13/59/341681359.db2.gz SGHRJDSDQUHUIQ-INIZCTEOSA-N 1 1 318.424 3.858 20 30 DHEDMO CC(=O)CC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000157809075 519414945 /nfs/dbraw/zinc/41/49/45/519414945.db2.gz RGYAJJFTHRAEMN-UHFFFAOYSA-N 1 1 310.372 3.679 20 30 DHEDMO CC(C)[N@@H+](CCCO[C@@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC000338232367 519644882 /nfs/dbraw/zinc/64/48/82/519644882.db2.gz AWWLDUFBBMFAFD-LJQANCHMSA-N 1 1 316.445 3.702 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccnn1C(C)C)Cc1ccc(C#N)cc1 ZINC000337142308 519718742 /nfs/dbraw/zinc/71/87/42/519718742.db2.gz TYYFRABOESCEBY-UHFFFAOYSA-N 1 1 310.445 3.994 20 30 DHEDMO CC[C@@H](C)[C@H](C)[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000106439539 522352376 /nfs/dbraw/zinc/35/23/76/522352376.db2.gz RTEXLBNLMWKPBC-CABCVRRESA-N 1 1 313.445 3.786 20 30 DHEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)nc1 ZINC000338232494 524014113 /nfs/dbraw/zinc/01/41/13/524014113.db2.gz FNRPWFFRGXJYAC-UHFFFAOYSA-N 1 1 309.413 3.620 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000338333008 526043717 /nfs/dbraw/zinc/04/37/17/526043717.db2.gz OKXNYPSSZYIVHL-UTKZUKDTSA-N 1 1 320.436 3.645 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)s1 ZINC000180507038 526613795 /nfs/dbraw/zinc/61/37/95/526613795.db2.gz WHXWZHNANGROGG-WFASDCNBSA-N 1 1 318.467 3.769 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)c(F)c1 ZINC000181036387 526625345 /nfs/dbraw/zinc/62/53/45/526625345.db2.gz BUFKHNCTCTZWKJ-QGZVFWFLSA-N 1 1 314.335 3.840 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000267439527 526703298 /nfs/dbraw/zinc/70/32/98/526703298.db2.gz HMSQIIVYNCPYSC-IAGOWNOFSA-N 1 1 312.438 3.708 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000267440509 526735855 /nfs/dbraw/zinc/73/58/55/526735855.db2.gz HYAHMKLCTWYYTA-SJORKVTESA-N 1 1 312.438 3.708 20 30 DHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(F)c(C#N)c3)c2C1 ZINC000284569186 535002410 /nfs/dbraw/zinc/00/24/10/535002410.db2.gz GGPZPIITUQVXCZ-UHFFFAOYSA-N 1 1 323.371 3.675 20 30 DHEDMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(F)c(C#N)c3)c2C1 ZINC000284569186 535002417 /nfs/dbraw/zinc/00/24/17/535002417.db2.gz GGPZPIITUQVXCZ-UHFFFAOYSA-N 1 1 323.371 3.675 20 30 DHEDMO CC[C@@H]([NH2+]Cc1cc(F)cnc1Cl)c1ccc(C#N)cc1 ZINC000297264170 535805558 /nfs/dbraw/zinc/80/55/58/535805558.db2.gz KHIRZOMFKIKLMB-OAHLLOKOSA-N 1 1 303.768 3.987 20 30 DHEDMO C=CCCC[N@H+]1CCC[C@]2(CCC(=O)N2CC2CC2)[C@H]1CC ZINC001209160653 1013049986 /nfs/dbraw/zinc/04/99/86/1013049986.db2.gz AGNPTTJFFKBAKO-MJGOQNOKSA-N 1 1 304.478 3.598 20 30 DHEDMO C=CCCCC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)CC[C@H]1C ZINC001209200073 1013082339 /nfs/dbraw/zinc/08/23/39/1013082339.db2.gz AXIHLNHYLYIVGL-HZPDHXFCSA-N 1 1 310.482 3.968 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c1O ZINC000777968077 1032064942 /nfs/dbraw/zinc/06/49/42/1032064942.db2.gz MBCPFKVYEQUEGV-CXAGYDPISA-N 1 1 307.409 3.699 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000537526119 1032068588 /nfs/dbraw/zinc/06/85/88/1032068588.db2.gz SDAAFPUDGWSLQQ-IBGZPJMESA-N 1 1 312.457 3.879 20 30 DHEDMO C=CCN(Cc1ccccc1)c1nc(N2CCCCC2)cc[nH+]1 ZINC001167126391 1013238985 /nfs/dbraw/zinc/23/89/85/1013238985.db2.gz XAODOXCXNDAARL-UHFFFAOYSA-N 1 1 308.429 3.660 20 30 DHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000519002403 1013258238 /nfs/dbraw/zinc/25/82/38/1013258238.db2.gz PMGARLKKEMICNJ-YTQUADARSA-N 1 1 317.473 3.665 20 30 DHEDMO CC(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000140504897 1013276172 /nfs/dbraw/zinc/27/61/72/1013276172.db2.gz NIOCXRIJEMPDLW-INIZCTEOSA-N 1 1 319.836 3.661 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OC)cc1C ZINC000894412289 1013343614 /nfs/dbraw/zinc/34/36/14/1013343614.db2.gz IXRNGVTYHGMIGC-UHFFFAOYSA-N 1 1 315.413 3.667 20 30 DHEDMO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(CCC#N)CC1 ZINC000519599968 1013522077 /nfs/dbraw/zinc/52/20/77/1013522077.db2.gz LMPCFMQZWOXPQX-UHFFFAOYSA-N 1 1 309.413 3.675 20 30 DHEDMO Cc1cccc2c1ncc(C#N)c2N1CCC[N@H+](C(C)(C)C)CC1 ZINC000610274851 1013594756 /nfs/dbraw/zinc/59/47/56/1013594756.db2.gz IOUZLQILQIYWIP-UHFFFAOYSA-N 1 1 322.456 3.726 20 30 DHEDMO FC(F)CON=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000758898943 1013645370 /nfs/dbraw/zinc/64/53/70/1013645370.db2.gz AZBAKFLOSNOGOF-CABCVRRESA-N 1 1 308.372 3.556 20 30 DHEDMO N#CCCCOc1cccc(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000608860272 1013641795 /nfs/dbraw/zinc/64/17/95/1013641795.db2.gz IZYJABCLZSSZDA-UHFFFAOYSA-N 1 1 304.777 3.905 20 30 DHEDMO CC[NH+](CC)[C@@H](CNCc1ccc(C#N)s1)c1ccccc1 ZINC000176940664 1013684884 /nfs/dbraw/zinc/68/48/84/1013684884.db2.gz DLROEPTWHKMSSG-SFHVURJKSA-N 1 1 313.470 3.792 20 30 DHEDMO Cc1ccnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000343509764 1013721648 /nfs/dbraw/zinc/72/16/48/1013721648.db2.gz LAJAUFFXKZDYHI-QFBILLFUSA-N 1 1 320.440 3.584 20 30 DHEDMO Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc2n[nH]cc21 ZINC000328993720 1013811649 /nfs/dbraw/zinc/81/16/49/1013811649.db2.gz GDOAUCBLJHYJKU-QGZVFWFLSA-N 1 1 312.417 3.866 20 30 DHEDMO CCc1noc(C)c1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000330388493 1013813839 /nfs/dbraw/zinc/81/38/39/1013813839.db2.gz CXNJUUWFTZJYIY-BETUJISGSA-N 1 1 321.465 3.607 20 30 DHEDMO Cc1noc(C(C)C)c1C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000330406692 1013815903 /nfs/dbraw/zinc/81/59/03/1013815903.db2.gz YSGAIPPRMUYPAW-CHWSQXEVSA-N 1 1 307.438 3.531 20 30 DHEDMO C[C@H]1CCC[C@@H](C[N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC001167318627 1013834706 /nfs/dbraw/zinc/83/47/06/1013834706.db2.gz OZBYVZJYZOAPJI-ZWKOTPCHSA-N 1 1 311.473 3.897 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)CC(F)(F)F ZINC000188582145 1013837383 /nfs/dbraw/zinc/83/73/83/1013837383.db2.gz ZDOHVBROIOVLEF-VIFPVBQESA-N 1 1 313.772 3.703 20 30 DHEDMO Cc1noc(C(C)C)c1C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000331320400 1013873239 /nfs/dbraw/zinc/87/32/39/1013873239.db2.gz LFYHCNOWEKYUHR-HNNXBMFYSA-N 1 1 321.465 3.779 20 30 DHEDMO C[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1cccc(C#N)c1 ZINC000610344635 1013954984 /nfs/dbraw/zinc/95/49/84/1013954984.db2.gz BQGSXCKWZFWKMI-CYBMUJFWSA-N 1 1 320.421 3.928 20 30 DHEDMO C[C@H]1C[C@@H](C(=O)Nc2scc(C(C)(C)C)c2C#N)CC[N@H+]1C ZINC000891146904 1013959047 /nfs/dbraw/zinc/95/90/47/1013959047.db2.gz ZQMDLZGNZXWDEG-RYUDHWBXSA-N 1 1 319.474 3.586 20 30 DHEDMO Cc1sc(NC(=O)C[NH+]2CCC(CCC#N)CC2)c(C)c1C ZINC000580069239 1014012457 /nfs/dbraw/zinc/01/24/57/1014012457.db2.gz RYCVSWHKGBJTMQ-UHFFFAOYSA-N 1 1 319.474 3.628 20 30 DHEDMO C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3nc(C)ccc3c2)CC1 ZINC000189325836 1014173876 /nfs/dbraw/zinc/17/38/76/1014173876.db2.gz ODFAIZZNQWAGCL-UHFFFAOYSA-N 1 1 309.457 3.673 20 30 DHEDMO CC#CCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000189675231 1014205707 /nfs/dbraw/zinc/20/57/07/1014205707.db2.gz SIUMIJOKGWKHIX-UHFFFAOYSA-N 1 1 313.445 3.596 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cccc(C#N)c1 ZINC000610452192 1014274503 /nfs/dbraw/zinc/27/45/03/1014274503.db2.gz VIXGWQOYDXHGKI-SFHVURJKSA-N 1 1 319.452 3.655 20 30 DHEDMO C[C@H]1CCN(Cc2ccccc2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000610452192 1014274516 /nfs/dbraw/zinc/27/45/16/1014274516.db2.gz VIXGWQOYDXHGKI-SFHVURJKSA-N 1 1 319.452 3.655 20 30 DHEDMO C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000610452192 1014274527 /nfs/dbraw/zinc/27/45/27/1014274527.db2.gz VIXGWQOYDXHGKI-SFHVURJKSA-N 1 1 319.452 3.655 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000328748994 1014316462 /nfs/dbraw/zinc/31/64/62/1014316462.db2.gz BKZBMFJQQJGYFL-LBPRGKRZSA-N 1 1 317.389 3.520 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)c(C#N)c1 ZINC000135008083 1014365338 /nfs/dbraw/zinc/36/53/38/1014365338.db2.gz UZDPHGUYHSMQPS-UHFFFAOYSA-N 1 1 317.392 3.627 20 30 DHEDMO C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000520805376 1014592352 /nfs/dbraw/zinc/59/23/52/1014592352.db2.gz ZUSCNCDWUUHOJG-GJZGRUSLSA-N 1 1 308.466 3.616 20 30 DHEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc3cc(C#N)ccc3n2)C1 ZINC000537876609 1014593065 /nfs/dbraw/zinc/59/30/65/1014593065.db2.gz HPELHORXBKJPIE-IBGZPJMESA-N 1 1 314.392 3.705 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000561850846 1032096802 /nfs/dbraw/zinc/09/68/02/1032096802.db2.gz YDOGLXLAGBSFDU-INIZCTEOSA-N 1 1 321.873 3.993 20 30 DHEDMO CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000487413612 1014610091 /nfs/dbraw/zinc/61/00/91/1014610091.db2.gz UXNVFKDEIRPUDW-AEFFLSMTSA-N 1 1 313.489 3.792 20 30 DHEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000487413612 1014610096 /nfs/dbraw/zinc/61/00/96/1014610096.db2.gz UXNVFKDEIRPUDW-AEFFLSMTSA-N 1 1 313.489 3.792 20 30 DHEDMO CCN1CC[C@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000487413612 1014610099 /nfs/dbraw/zinc/61/00/99/1014610099.db2.gz UXNVFKDEIRPUDW-AEFFLSMTSA-N 1 1 313.489 3.792 20 30 DHEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000487413612 1014610104 /nfs/dbraw/zinc/61/01/04/1014610104.db2.gz UXNVFKDEIRPUDW-AEFFLSMTSA-N 1 1 313.489 3.792 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000276094401 1014675071 /nfs/dbraw/zinc/67/50/71/1014675071.db2.gz DHRMUCDVHXAHEI-YVWKXTFCSA-N 1 1 314.473 3.616 20 30 DHEDMO C=CCC[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000276097173 1014677593 /nfs/dbraw/zinc/67/75/93/1014677593.db2.gz DVJWIYPTOVAZIO-UHFFFAOYSA-N 1 1 303.387 3.726 20 30 DHEDMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000581356200 1014735895 /nfs/dbraw/zinc/73/58/95/1014735895.db2.gz ANPGSTONEHEXFK-UZLBHIALSA-N 1 1 320.436 3.818 20 30 DHEDMO CCOc1ccccc1C[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000442797972 1014737620 /nfs/dbraw/zinc/73/76/20/1014737620.db2.gz IKGXIYIVGSYDSC-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO CCOc1ccccc1C[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000442797972 1014737632 /nfs/dbraw/zinc/73/76/32/1014737632.db2.gz IKGXIYIVGSYDSC-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@H]2Cc2ccccc2)ccc1C#N ZINC000442813333 1014741487 /nfs/dbraw/zinc/74/14/87/1014741487.db2.gz RVIZYROSCXQGSA-IBGZPJMESA-N 1 1 306.409 3.774 20 30 DHEDMO COc1cc2c(cc1F)C[N@@H+]([C@H](C)c1cccc(C#N)c1)CC2 ZINC000442894901 1014765748 /nfs/dbraw/zinc/76/57/48/1014765748.db2.gz CTMYURRRXFZPBF-CYBMUJFWSA-N 1 1 310.372 3.825 20 30 DHEDMO COc1cc2c(cc1F)C[N@H+]([C@H](C)c1cccc(C#N)c1)CC2 ZINC000442894901 1014765755 /nfs/dbraw/zinc/76/57/55/1014765755.db2.gz CTMYURRRXFZPBF-CYBMUJFWSA-N 1 1 310.372 3.825 20 30 DHEDMO CC1(C)C[N@@H+](Cc2cc(C#N)cs2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000443070640 1014800102 /nfs/dbraw/zinc/80/01/02/1014800102.db2.gz REZWXEMJXPJTDV-XUWXXGDYSA-N 1 1 316.470 3.789 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@H](C)CC)cc1 ZINC001167461464 1014841937 /nfs/dbraw/zinc/84/19/37/1014841937.db2.gz JNEHUNHXHVFKQK-APWZRJJASA-N 1 1 312.457 3.897 20 30 DHEDMO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)CC2(CCCC2)O1 ZINC000443329405 1014868990 /nfs/dbraw/zinc/86/89/90/1014868990.db2.gz BDKXVWTUCDPGOC-UHFFFAOYSA-N 1 1 301.405 3.601 20 30 DHEDMO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)CC2(CCCC2)O1 ZINC000443329405 1014868999 /nfs/dbraw/zinc/86/89/99/1014868999.db2.gz BDKXVWTUCDPGOC-UHFFFAOYSA-N 1 1 301.405 3.601 20 30 DHEDMO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000895229791 1014953959 /nfs/dbraw/zinc/95/39/59/1014953959.db2.gz YGKQPUCIHIQJDN-ZDUSSCGKSA-N 1 1 320.458 3.829 20 30 DHEDMO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000895229791 1014953971 /nfs/dbraw/zinc/95/39/71/1014953971.db2.gz YGKQPUCIHIQJDN-ZDUSSCGKSA-N 1 1 320.458 3.829 20 30 DHEDMO Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(C#N)n1 ZINC000308275328 1014977185 /nfs/dbraw/zinc/97/71/85/1014977185.db2.gz FJMSOZZHCCBPGZ-SJLPKXTDSA-N 1 1 320.440 3.727 20 30 DHEDMO CN(C[C@@H]1CCC[N@H+]1CC(C)(C)CCC#N)C(=O)OC(C)(C)C ZINC000093867772 1014978415 /nfs/dbraw/zinc/97/84/15/1014978415.db2.gz ALKVBBPGFHHIRL-HNNXBMFYSA-N 1 1 323.481 3.648 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000443643727 1015062791 /nfs/dbraw/zinc/06/27/91/1015062791.db2.gz WFYIQDVKOVYZCU-CABCVRRESA-N 1 1 309.837 3.510 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3c[nH]c4ncccc34)C2)cc1 ZINC000931366957 1032110796 /nfs/dbraw/zinc/11/07/96/1032110796.db2.gz SNGSXAVJEGABEQ-KRWDZBQOSA-N 1 1 316.408 3.814 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000477270892 1015164935 /nfs/dbraw/zinc/16/49/35/1015164935.db2.gz GLPLLWLKURBCJU-LJQANCHMSA-N 1 1 306.409 3.644 20 30 DHEDMO CC(C)C[N@@H+](CCC(=O)Nc1ccccc1C#N)CC(C)(C)C ZINC000474219742 1015196907 /nfs/dbraw/zinc/19/69/07/1015196907.db2.gz RQDUMRPBXORVJK-UHFFFAOYSA-N 1 1 315.461 3.891 20 30 DHEDMO C=CCC[N@H+](C)Cc1oc(-c2ccccc2)nc1C(=O)OCC ZINC000276470800 1015197351 /nfs/dbraw/zinc/19/73/51/1015197351.db2.gz ROWWZMTWWFJHIX-UHFFFAOYSA-N 1 1 314.385 3.526 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H](c4nccs4)C3)cc2)CC1 ZINC000895584990 1015211690 /nfs/dbraw/zinc/21/16/90/1015211690.db2.gz WPZBXPUCDYPASN-HNNXBMFYSA-N 1 1 309.438 3.688 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000895584576 1015211918 /nfs/dbraw/zinc/21/19/18/1015211918.db2.gz SFVQFASNBLBQRL-INIZCTEOSA-N 1 1 312.438 3.535 20 30 DHEDMO C[N@H+](Cc1ccccc1)[C@@H](CNCc1cccc(C#N)c1)C1CC1 ZINC000185223542 1015219707 /nfs/dbraw/zinc/21/97/07/1015219707.db2.gz XCQOJGUTUIKNRU-NRFANRHFSA-N 1 1 319.452 3.558 20 30 DHEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNCc1cccc(C#N)c1)C1CC1 ZINC000185223542 1015219719 /nfs/dbraw/zinc/21/97/19/1015219719.db2.gz XCQOJGUTUIKNRU-NRFANRHFSA-N 1 1 319.452 3.558 20 30 DHEDMO C[N@H+](Cc1ccccc1)[C@H](CNCc1cccc(C#N)c1)C1CC1 ZINC000185223561 1015221183 /nfs/dbraw/zinc/22/11/83/1015221183.db2.gz XCQOJGUTUIKNRU-OAQYLSRUSA-N 1 1 319.452 3.558 20 30 DHEDMO C[N@@H+](Cc1ccccc1)[C@H](CNCc1cccc(C#N)c1)C1CC1 ZINC000185223561 1015221189 /nfs/dbraw/zinc/22/11/89/1015221189.db2.gz XCQOJGUTUIKNRU-OAQYLSRUSA-N 1 1 319.452 3.558 20 30 DHEDMO N#Cc1cc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cs1 ZINC000891515153 1015342728 /nfs/dbraw/zinc/34/27/28/1015342728.db2.gz AFAXGFJSBISBER-AWEZNQCLSA-N 1 1 318.467 3.862 20 30 DHEDMO N#Cc1cc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cs1 ZINC000891515153 1015342736 /nfs/dbraw/zinc/34/27/36/1015342736.db2.gz AFAXGFJSBISBER-AWEZNQCLSA-N 1 1 318.467 3.862 20 30 DHEDMO CC[N@H+](Cc1csc(C#N)c1)Cc1ccc(OC)c(OC)c1 ZINC000891516082 1015345274 /nfs/dbraw/zinc/34/52/74/1015345274.db2.gz FEKQZEXDOXKUFN-UHFFFAOYSA-N 1 1 316.426 3.659 20 30 DHEDMO CC[N@@H+](Cc1csc(C#N)c1)Cc1ccc(OC)c(OC)c1 ZINC000891516082 1015345284 /nfs/dbraw/zinc/34/52/84/1015345284.db2.gz FEKQZEXDOXKUFN-UHFFFAOYSA-N 1 1 316.426 3.659 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(N2CCCC2=O)cc1 ZINC000161036623 1015361274 /nfs/dbraw/zinc/36/12/74/1015361274.db2.gz OAPUXLGMGHEODG-OAHLLOKOSA-N 1 1 319.408 3.536 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)c1c(F)cccc1F ZINC000051262300 1015396009 /nfs/dbraw/zinc/39/60/09/1015396009.db2.gz GWOWAIZDYMTJJF-HNNXBMFYSA-N 1 1 309.381 3.748 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)cs1 ZINC000896036922 1015424522 /nfs/dbraw/zinc/42/45/22/1015424522.db2.gz YRLWBMJBAOVWSE-MRXNPFEDSA-N 1 1 304.459 3.648 20 30 DHEDMO C#Cc1ccc(C(=O)Nc2cccc3c2C[N@H+](CCC)C3)cc1 ZINC000896126920 1015461842 /nfs/dbraw/zinc/46/18/42/1015461842.db2.gz PXLKLHOQXAERSO-UHFFFAOYSA-N 1 1 304.393 3.646 20 30 DHEDMO C#Cc1ccc(C(=O)Nc2cccc3c2C[N@@H+](CCC)C3)cc1 ZINC000896126920 1015461846 /nfs/dbraw/zinc/46/18/46/1015461846.db2.gz PXLKLHOQXAERSO-UHFFFAOYSA-N 1 1 304.393 3.646 20 30 DHEDMO CC[N@@H+](Cc1cccc2[nH]c(=O)oc21)[C@H](C)c1ccc(C#N)cc1 ZINC000891655589 1015492844 /nfs/dbraw/zinc/49/28/44/1015492844.db2.gz GYYKHRPYWFUOCH-CYBMUJFWSA-N 1 1 321.380 3.988 20 30 DHEDMO C[C@@H]1C[C@@H](N2CCC(C#N)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168039025 1015494455 /nfs/dbraw/zinc/49/44/55/1015494455.db2.gz AYSYVHMSZIMLLY-XEMDLRDOSA-N 1 1 311.473 3.664 20 30 DHEDMO C[C@@H]1C[C@@H]([NH+]2CCC(C#N)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168039025 1015494459 /nfs/dbraw/zinc/49/44/59/1015494459.db2.gz AYSYVHMSZIMLLY-XEMDLRDOSA-N 1 1 311.473 3.664 20 30 DHEDMO CC(C)C[N@@H+](Cc1cn(C)nc1C1CC1)Cc1ccc(C#N)cc1 ZINC000891683892 1015523945 /nfs/dbraw/zinc/52/39/45/1015523945.db2.gz BAGIZUALXPYCFT-UHFFFAOYSA-N 1 1 322.456 3.827 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(C#N)ccn2)C1 ZINC000341564019 1015532674 /nfs/dbraw/zinc/53/26/74/1015532674.db2.gz MOEVEOAQPMRFKY-MRXNPFEDSA-N 1 1 320.440 3.797 20 30 DHEDMO C=C(C)CCc1noc(C[C@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000896280451 1015533824 /nfs/dbraw/zinc/53/38/24/1015533824.db2.gz ICSQBIYWQNMAOY-HNNXBMFYSA-N 1 1 308.385 3.676 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000522472608 1015609446 /nfs/dbraw/zinc/60/94/46/1015609446.db2.gz AIIWLWYUUIEDAZ-VQIMIIECSA-N 1 1 306.409 3.815 20 30 DHEDMO N#Cc1ccc(Cl)cc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161901980 1015616068 /nfs/dbraw/zinc/61/60/68/1015616068.db2.gz BBNDBEBHEBMIMH-PBHICJAKSA-N 1 1 315.848 3.665 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cccc(C#N)n1 ZINC000337851440 1015634752 /nfs/dbraw/zinc/63/47/52/1015634752.db2.gz FVTDOLCAAMBOQT-SFHVURJKSA-N 1 1 320.440 3.666 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2C#N)[C@@H]1C ZINC001141901402 1015648005 /nfs/dbraw/zinc/64/80/05/1015648005.db2.gz VBUDSUPEOVVACQ-VXGBXAGGSA-N 1 1 307.235 3.941 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](C4CCCC4)C3)o2)cc1 ZINC000562933684 1015645352 /nfs/dbraw/zinc/64/53/52/1015645352.db2.gz PRCNRKLHIJZJLX-KRWDZBQOSA-N 1 1 322.412 3.620 20 30 DHEDMO C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2C#N)[C@@H]1C ZINC001141901402 1015648000 /nfs/dbraw/zinc/64/80/00/1015648000.db2.gz VBUDSUPEOVVACQ-VXGBXAGGSA-N 1 1 307.235 3.941 20 30 DHEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2c(O)cccc21 ZINC000329172214 1015653123 /nfs/dbraw/zinc/65/31/23/1015653123.db2.gz ACRDDLZCBFYUSY-YOEHRIQHSA-N 1 1 316.445 3.643 20 30 DHEDMO CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)n1C ZINC000329199828 1015657485 /nfs/dbraw/zinc/65/74/85/1015657485.db2.gz VYGVRTMYBRNODG-CWRNSKLLSA-N 1 1 318.465 3.549 20 30 DHEDMO CC[N@H+](CCC(F)(F)F)Cc1ccc(C#N)cc1OC(F)F ZINC000610613654 1015670618 /nfs/dbraw/zinc/67/06/18/1015670618.db2.gz DZHWBMQKSQISNB-UHFFFAOYSA-N 1 1 322.277 3.934 20 30 DHEDMO CC[N@@H+](CCC(F)(F)F)Cc1ccc(C#N)cc1OC(F)F ZINC000610613654 1015670620 /nfs/dbraw/zinc/67/06/20/1015670620.db2.gz DZHWBMQKSQISNB-UHFFFAOYSA-N 1 1 322.277 3.934 20 30 DHEDMO O=C(Nc1cccc2c1OCO2)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000329354658 1015690877 /nfs/dbraw/zinc/69/08/77/1015690877.db2.gz YOJJFPMQYGLQPO-CYBMUJFWSA-N 1 1 316.401 3.658 20 30 DHEDMO Cc1cc(NC(=O)[C@H]2CCC(=O)[C@@H](C)C2(C)C)cn2cc[nH+]c12 ZINC000329367070 1015691910 /nfs/dbraw/zinc/69/19/10/1015691910.db2.gz HFBWOWGLXXIRQP-TZMCWYRMSA-N 1 1 313.401 3.872 20 30 DHEDMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC1(C)CCCCC1 ZINC000329507577 1015722145 /nfs/dbraw/zinc/72/21/45/1015722145.db2.gz AWLXTWQJMRUDDN-INIZCTEOSA-N 1 1 318.465 3.540 20 30 DHEDMO CC(C)CSCCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341804456 1015742599 /nfs/dbraw/zinc/74/25/99/1015742599.db2.gz BDTVRLGPORBUBF-SFHVURJKSA-N 1 1 318.486 3.711 20 30 DHEDMO CC(C)CSCCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341804456 1015742603 /nfs/dbraw/zinc/74/26/03/1015742603.db2.gz BDTVRLGPORBUBF-SFHVURJKSA-N 1 1 318.486 3.711 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000475023741 1015774532 /nfs/dbraw/zinc/77/45/32/1015774532.db2.gz OIUHMRZQCLKWQM-ZCNNSNEGSA-N 1 1 312.457 3.699 20 30 DHEDMO CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)c(SC)n1 ZINC001141941573 1015785627 /nfs/dbraw/zinc/78/56/27/1015785627.db2.gz PISPVJLDUKZVFH-UHFFFAOYSA-N 1 1 315.417 3.836 20 30 DHEDMO CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)c(SC)n1 ZINC001141941573 1015785629 /nfs/dbraw/zinc/78/56/29/1015785629.db2.gz PISPVJLDUKZVFH-UHFFFAOYSA-N 1 1 315.417 3.836 20 30 DHEDMO COc1cc2c(cc1C[N@H+](C)Cc1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000535785874 1015823366 /nfs/dbraw/zinc/82/33/66/1015823366.db2.gz ZJWALHMMJGYAEC-AWEZNQCLSA-N 1 1 322.408 3.522 20 30 DHEDMO COc1cc2c(cc1C[N@@H+](C)Cc1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000535785874 1015823374 /nfs/dbraw/zinc/82/33/74/1015823374.db2.gz ZJWALHMMJGYAEC-AWEZNQCLSA-N 1 1 322.408 3.522 20 30 DHEDMO C=C[C@H](CC)CC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001126789676 1032130796 /nfs/dbraw/zinc/13/07/96/1032130796.db2.gz ACYLAKGXPDUXCC-IAGOWNOFSA-N 1 1 302.462 3.616 20 30 DHEDMO C=CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000065208904 1015971131 /nfs/dbraw/zinc/97/11/31/1015971131.db2.gz UFJXFAOKHARJLO-UHFFFAOYSA-N 1 1 318.398 3.723 20 30 DHEDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccnc(C#N)c1 ZINC000610991643 1015990484 /nfs/dbraw/zinc/99/04/84/1015990484.db2.gz AREIECWFUVXVQZ-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccnc(C#N)c1 ZINC000610991643 1015990491 /nfs/dbraw/zinc/99/04/91/1015990491.db2.gz AREIECWFUVXVQZ-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@H+](Cc1ccnc(C#N)c1)Cc1cc(Cl)cc(Cl)c1 ZINC000610992048 1015997065 /nfs/dbraw/zinc/99/70/65/1015997065.db2.gz RZMNTIVRQARWLX-UHFFFAOYSA-N 1 1 306.196 3.892 20 30 DHEDMO C[N@@H+](Cc1ccnc(C#N)c1)Cc1cc(Cl)cc(Cl)c1 ZINC000610992048 1015997067 /nfs/dbraw/zinc/99/70/67/1015997067.db2.gz RZMNTIVRQARWLX-UHFFFAOYSA-N 1 1 306.196 3.892 20 30 DHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccnc(C#N)c2)C12CCCCC2 ZINC000610994029 1016005617 /nfs/dbraw/zinc/00/56/17/1016005617.db2.gz RPADLBKOBASKLH-MSOLQXFVSA-N 1 1 313.445 3.513 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)ccn1 ZINC000610995097 1016007599 /nfs/dbraw/zinc/00/75/99/1016007599.db2.gz FHFUNDPQOBKOCC-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)ccn1 ZINC000610995097 1016007612 /nfs/dbraw/zinc/00/76/12/1016007612.db2.gz FHFUNDPQOBKOCC-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CCCSCC#N ZINC000342113168 1016028762 /nfs/dbraw/zinc/02/87/62/1016028762.db2.gz PBNLVBAFWFNCIJ-QGZVFWFLSA-N 1 1 304.459 3.651 20 30 DHEDMO COc1ccc(CNc2ccc(C)c[nH+]2)cc1OCCCC#N ZINC000157458512 1016280156 /nfs/dbraw/zinc/28/01/56/1016280156.db2.gz MDZYMTGSKZXRHO-UHFFFAOYSA-N 1 1 311.385 3.693 20 30 DHEDMO Cn1ncc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C1CC1 ZINC000892202807 1016422978 /nfs/dbraw/zinc/42/29/78/1016422978.db2.gz UIYHZSLQEMIPPX-RBUKOAKNSA-N 1 1 320.440 3.569 20 30 DHEDMO Cn1ncc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C1CC1 ZINC000892202807 1016422987 /nfs/dbraw/zinc/42/29/87/1016422987.db2.gz UIYHZSLQEMIPPX-RBUKOAKNSA-N 1 1 320.440 3.569 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)CC1CCCC1 ZINC000475048496 1016460984 /nfs/dbraw/zinc/46/09/84/1016460984.db2.gz PKLVTPROQSFORR-LJQANCHMSA-N 1 1 300.446 3.710 20 30 DHEDMO CCCC[N@@H+](CC(=O)N(CC)CCC#N)[C@@H](C)c1ccccc1 ZINC000346633605 1016490391 /nfs/dbraw/zinc/49/03/91/1016490391.db2.gz XAGVARQHZPOBQW-KRWDZBQOSA-N 1 1 315.461 3.612 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)C[C@H](O)Cc1cccc(Cl)c1 ZINC000347061043 1016718871 /nfs/dbraw/zinc/71/88/71/1016718871.db2.gz WCSBPEBVFWQTED-QGZVFWFLSA-N 1 1 308.853 3.505 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1CCCCOc1c(OC)cccc1OC ZINC000934462421 1016736700 /nfs/dbraw/zinc/73/67/00/1016736700.db2.gz DDRQRDZCDOXFAH-HNNXBMFYSA-N 1 1 305.418 3.513 20 30 DHEDMO C=CC[N@@H+](Cc1cn(C(C)C)nc1C)Cc1cccc(C#N)c1 ZINC000281813959 1016737790 /nfs/dbraw/zinc/73/77/90/1016737790.db2.gz ZEBZXYIWIRLNJP-UHFFFAOYSA-N 1 1 308.429 3.832 20 30 DHEDMO C=CC[N@H+](Cc1cn(C(C)C)nc1C)Cc1cccc(C#N)c1 ZINC000281813959 1016737805 /nfs/dbraw/zinc/73/78/05/1016737805.db2.gz ZEBZXYIWIRLNJP-UHFFFAOYSA-N 1 1 308.429 3.832 20 30 DHEDMO Cc1cc(C)c(C#N)c(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000342200562 1016777836 /nfs/dbraw/zinc/77/78/36/1016777836.db2.gz AQFZFZJJJUAKKX-FUHWJXTLSA-N 1 1 320.440 3.645 20 30 DHEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000611609141 1016783244 /nfs/dbraw/zinc/78/32/44/1016783244.db2.gz HSMNCHDZVIYKPE-INIZCTEOSA-N 1 1 324.371 3.573 20 30 DHEDMO CC[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(OC)cc1 ZINC000339007587 1016794539 /nfs/dbraw/zinc/79/45/39/1016794539.db2.gz HASKZZCNVGDTOR-UHFFFAOYSA-N 1 1 319.408 3.842 20 30 DHEDMO CC[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(OC)cc1 ZINC000339007587 1016794551 /nfs/dbraw/zinc/79/45/51/1016794551.db2.gz HASKZZCNVGDTOR-UHFFFAOYSA-N 1 1 319.408 3.842 20 30 DHEDMO C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763823024 1016876867 /nfs/dbraw/zinc/87/68/67/1016876867.db2.gz GWIKRLFUTWOECL-QGZVFWFLSA-N 1 1 318.779 3.516 20 30 DHEDMO N#CCc1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000342692736 1017019988 /nfs/dbraw/zinc/01/99/88/1017019988.db2.gz LHAAURXASDLMNF-IBGZPJMESA-N 1 1 310.397 3.527 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cnn(CC2CCC2)c1 ZINC000934551903 1017031920 /nfs/dbraw/zinc/03/19/20/1017031920.db2.gz DBDACMZSMBUXKO-CYBMUJFWSA-N 1 1 312.392 3.545 20 30 DHEDMO Brc1ccsc1C[NH2+]CC#Cc1ccccc1 ZINC000148145635 1017036105 /nfs/dbraw/zinc/03/61/05/1017036105.db2.gz RJEMZFFXBXQYQZ-UHFFFAOYSA-N 1 1 306.228 3.652 20 30 DHEDMO C#CC[N@H+](Cc1ccc(Br)c2cccnc12)C1CC1 ZINC000763948630 1017039773 /nfs/dbraw/zinc/03/97/73/1017039773.db2.gz CIXMGAASWJUPKI-UHFFFAOYSA-N 1 1 315.214 3.595 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000847026196 1032183575 /nfs/dbraw/zinc/18/35/75/1032183575.db2.gz OXWQELQKDMJSLL-KRWDZBQOSA-N 1 1 306.409 3.506 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@H+]2CCCC2CCCCC2)C1=O ZINC001275763940 1032185688 /nfs/dbraw/zinc/18/56/88/1032185688.db2.gz UTJICTUHOLHSHS-HXUWFJFHSA-N 1 1 318.505 3.990 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)ccc1C#N ZINC000295017731 1032246191 /nfs/dbraw/zinc/24/61/91/1032246191.db2.gz MVDLOGFCGYJRKD-SMDDNHRTSA-N 1 1 312.335 3.730 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CC[C@H](C)C1 ZINC000362170811 1032260018 /nfs/dbraw/zinc/26/00/18/1032260018.db2.gz SSRHTZDBIJSNBI-BBRMVZONSA-N 1 1 306.837 3.849 20 30 DHEDMO C=CCC[N@H+](C)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000342717428 1017076426 /nfs/dbraw/zinc/07/64/26/1017076426.db2.gz FQTWDSOWMSBNSJ-IBGZPJMESA-N 1 1 308.425 3.552 20 30 DHEDMO C#CC[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1CC1 ZINC000763956393 1017079079 /nfs/dbraw/zinc/07/90/79/1017079079.db2.gz NBAXYDISYATJER-UHFFFAOYSA-N 1 1 301.393 3.599 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1cccc(OC)c1)Cc1ccccc1 ZINC000362198436 1032270290 /nfs/dbraw/zinc/27/02/90/1032270290.db2.gz KTAPIPJDRKSNPL-UHFFFAOYSA-N 1 1 324.424 3.712 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CC=CCC1 ZINC000362236596 1032282248 /nfs/dbraw/zinc/28/22/48/1032282248.db2.gz NBWNHNOLDZSQFO-OAHLLOKOSA-N 1 1 302.393 3.502 20 30 DHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2csc(C)n2)c1 ZINC000772984574 1032336205 /nfs/dbraw/zinc/33/62/05/1032336205.db2.gz OOFYQCIGQKGBSU-SWLSCSKDSA-N 1 1 315.442 3.983 20 30 DHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cscn2)c1 ZINC000772985726 1032341884 /nfs/dbraw/zinc/34/18/84/1032341884.db2.gz XRNDLBFCIMSIMW-TZMCWYRMSA-N 1 1 301.415 3.675 20 30 DHEDMO COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCC[C@@H](C#N)CC1)CC2 ZINC001171321993 1032365782 /nfs/dbraw/zinc/36/57/82/1032365782.db2.gz QGKRYMPHWRHDIP-ZIAGYGMSSA-N 1 1 318.848 3.832 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1csc2ccccc12 ZINC000058582239 1032377249 /nfs/dbraw/zinc/37/72/49/1032377249.db2.gz YAOCUXSAYPZNHF-UHFFFAOYSA-N 1 1 316.470 3.758 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1csc2ccccc12 ZINC000058582239 1032377262 /nfs/dbraw/zinc/37/72/62/1032377262.db2.gz YAOCUXSAYPZNHF-UHFFFAOYSA-N 1 1 316.470 3.758 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCc3c(Cl)ccc(OC)c3C2)C1 ZINC001171327121 1032379707 /nfs/dbraw/zinc/37/97/07/1032379707.db2.gz VDSKYQVCBHXUBZ-KGLIPLIRSA-N 1 1 303.833 3.551 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000348123238 1032468041 /nfs/dbraw/zinc/46/80/41/1032468041.db2.gz DHPJYBLQZATIJV-INIZCTEOSA-N 1 1 323.415 3.576 20 30 DHEDMO CCS[C@H](C)c1noc(C[N@H+](C)CC(C)(C)CCC#N)n1 ZINC000092044626 1032472740 /nfs/dbraw/zinc/47/27/40/1032472740.db2.gz KZJUDPXGRBMSMN-GFCCVEGCSA-N 1 1 310.467 3.645 20 30 DHEDMO CCS[C@H](C)c1noc(C[N@@H+](C)CC(C)(C)CCC#N)n1 ZINC000092044626 1032472743 /nfs/dbraw/zinc/47/27/43/1032472743.db2.gz KZJUDPXGRBMSMN-GFCCVEGCSA-N 1 1 310.467 3.645 20 30 DHEDMO Cn1cc(C[N@H+]2CCCC3(CCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000348172516 1032488789 /nfs/dbraw/zinc/48/87/89/1032488789.db2.gz XUIIOCGRPVEXTK-UHFFFAOYSA-N 1 1 320.440 3.725 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1cccc(F)c1 ZINC000054272569 1017298840 /nfs/dbraw/zinc/29/88/40/1017298840.db2.gz YOGGYBXCYUDRTR-LJQANCHMSA-N 1 1 315.388 3.556 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CCCP(=O)(OCC)OCC)C1 ZINC000877624074 1033389196 /nfs/dbraw/zinc/38/91/96/1033389196.db2.gz IQEMVVIFXXPSNV-OAHLLOKOSA-N 1 1 303.383 3.931 20 30 DHEDMO C=CCOc1ccccc1[C@H](C)Nc1nc2[nH]cc(C)c2c[nH+]1 ZINC001171369208 1032523992 /nfs/dbraw/zinc/52/39/92/1032523992.db2.gz MAMDVAXUTGIYEU-ZDUSSCGKSA-N 1 1 308.385 3.956 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)cc1OCCCC#N ZINC000093480970 1032540925 /nfs/dbraw/zinc/54/09/25/1032540925.db2.gz PFNUKLQSJRXHOW-HOTGVXAUSA-N 1 1 316.445 3.856 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)[C@H](C)CCSC)cc1OC ZINC000093558802 1032545837 /nfs/dbraw/zinc/54/58/37/1032545837.db2.gz VXUDJWUXNSNMEB-CQSZACIVSA-N 1 1 309.475 3.833 20 30 DHEDMO C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)CCN1Cc1ccccc1 ZINC000093811216 1032558685 /nfs/dbraw/zinc/55/86/85/1032558685.db2.gz AXZJORJXELNAED-GOSISDBHSA-N 1 1 313.489 3.913 20 30 DHEDMO C=CCn1cc(C[NH2+][C@H]2CCCCc3ccc(Cl)cc32)nn1 ZINC000424300420 1011962388 /nfs/dbraw/zinc/96/23/88/1011962388.db2.gz XMBYDWIYGZHOLK-KRWDZBQOSA-N 1 1 316.836 3.675 20 30 DHEDMO C=CCn1cc(C[NH2+][C@@H]2CCCc3ccc(C(C)C)cc32)nn1 ZINC000424297916 1011964839 /nfs/dbraw/zinc/96/48/39/1011964839.db2.gz RIZXQHCIWHSVFC-LJQANCHMSA-N 1 1 310.445 3.755 20 30 DHEDMO CC1(C)C[N@H+](CC#Cc2cccc(Cl)c2)[C@@H]1[C@@H]1CCCO1 ZINC000579766862 1012063864 /nfs/dbraw/zinc/06/38/64/1012063864.db2.gz HNABTXLQCCMBCS-DLBZAZTESA-N 1 1 303.833 3.581 20 30 DHEDMO CC1(C)C[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]1[C@@H]1CCCO1 ZINC000579766862 1012063877 /nfs/dbraw/zinc/06/38/77/1012063877.db2.gz HNABTXLQCCMBCS-DLBZAZTESA-N 1 1 303.833 3.581 20 30 DHEDMO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000577646221 1012066343 /nfs/dbraw/zinc/06/63/43/1012066343.db2.gz IIKSWQYQPBRKCF-DNVCBOLYSA-N 1 1 321.424 3.935 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCC(F)(F)C1 ZINC000513890557 1012213615 /nfs/dbraw/zinc/21/36/15/1012213615.db2.gz PASAABKLCIILME-KRWDZBQOSA-N 1 1 322.399 3.832 20 30 DHEDMO C[C@@H](C#N)C[N@H+](C)CCCOc1cccc(C(F)(F)F)c1 ZINC000066376600 1012338317 /nfs/dbraw/zinc/33/83/17/1012338317.db2.gz XTULJAQBYDBQJX-LBPRGKRZSA-N 1 1 300.324 3.566 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](C)CCCOc1cccc(C(F)(F)F)c1 ZINC000066376600 1012338330 /nfs/dbraw/zinc/33/83/30/1012338330.db2.gz XTULJAQBYDBQJX-LBPRGKRZSA-N 1 1 300.324 3.566 20 30 DHEDMO CC(C)[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000117347822 1012466086 /nfs/dbraw/zinc/46/60/86/1012466086.db2.gz NHFYSUNAWXXZDC-MRXNPFEDSA-N 1 1 319.836 3.661 20 30 DHEDMO CCOc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)ccc1O ZINC000425365476 1012492526 /nfs/dbraw/zinc/49/25/26/1012492526.db2.gz KVOCKWNZMUFQLT-CQSZACIVSA-N 1 1 310.397 3.856 20 30 DHEDMO COCCOc1cccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425365851 1012492552 /nfs/dbraw/zinc/49/25/52/1012492552.db2.gz NKDNSYDNEKLTER-INIZCTEOSA-N 1 1 324.424 3.776 20 30 DHEDMO CN(c1ccc(C(F)(F)F)c(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286244479 1012536466 /nfs/dbraw/zinc/53/64/66/1012536466.db2.gz DNPFIZFPAHIVFR-YIONKMFJSA-N 1 1 323.362 3.638 20 30 DHEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc(Cl)cc1 ZINC000048334909 1012550218 /nfs/dbraw/zinc/55/02/18/1012550218.db2.gz ZVWXKVOFGGFFGW-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO CN(C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1)C(=O)OC(C)(C)C ZINC000179451574 1012679104 /nfs/dbraw/zinc/67/91/04/1012679104.db2.gz CRBVAEWLYUGTMW-OAHLLOKOSA-N 1 1 323.481 3.505 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC001206799271 1012680015 /nfs/dbraw/zinc/68/00/15/1012680015.db2.gz DBIKQGKLJUGDHH-CYBMUJFWSA-N 1 1 301.459 3.980 20 30 DHEDMO CCN(C(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000425529388 1012735099 /nfs/dbraw/zinc/73/50/99/1012735099.db2.gz BNPSPNOFDNGIQI-INIZCTEOSA-N 1 1 321.424 3.604 20 30 DHEDMO CCN(C(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000425529388 1012735111 /nfs/dbraw/zinc/73/51/11/1012735111.db2.gz BNPSPNOFDNGIQI-INIZCTEOSA-N 1 1 321.424 3.604 20 30 DHEDMO Cc1ccccc1NC(=O)CC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425539793 1012741731 /nfs/dbraw/zinc/74/17/31/1012741731.db2.gz URGPGNSUTYDXDP-MRXNPFEDSA-N 1 1 321.424 3.888 20 30 DHEDMO CO[C@@H](Cc1ccccc1)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425539636 1012742360 /nfs/dbraw/zinc/74/23/60/1012742360.db2.gz UCUGVUMBWMXJGI-UZLBHIALSA-N 1 1 308.425 3.809 20 30 DHEDMO CCCCCCCCC(=O)N1CC2(CC[N@H+]2C2CCCC2)C1 ZINC001270164498 1012795736 /nfs/dbraw/zinc/79/57/36/1012795736.db2.gz YMRGVDHZKUTWPK-UHFFFAOYSA-N 1 1 306.494 3.966 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000061758748 1032662510 /nfs/dbraw/zinc/66/25/10/1032662510.db2.gz XWTLTXNWKHKMJT-INIZCTEOSA-N 1 1 314.473 3.641 20 30 DHEDMO C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(CCC#N)CC1 ZINC000517233152 1012941751 /nfs/dbraw/zinc/94/17/51/1012941751.db2.gz RKVNSLHGOLYZBT-LBPRGKRZSA-N 1 1 316.430 3.875 20 30 DHEDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000425931521 1012964858 /nfs/dbraw/zinc/96/48/58/1012964858.db2.gz RBPBVBVRZPMNMG-HXUWFJFHSA-N 1 1 306.409 3.572 20 30 DHEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000342732908 1017124290 /nfs/dbraw/zinc/12/42/90/1017124290.db2.gz FGTJJWVVXCYMKS-KBPBESRZSA-N 1 1 300.402 3.506 20 30 DHEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCOc1ccccc1C#N ZINC001167599313 1017163681 /nfs/dbraw/zinc/16/36/81/1017163681.db2.gz SDRUFBOKOITVKZ-QFBILLFUSA-N 1 1 306.409 3.815 20 30 DHEDMO N#Cc1ccc(C[N@H+](CC#Cc2ccc(F)cc2)C2CC2)cc1 ZINC000178924253 1017200717 /nfs/dbraw/zinc/20/07/17/1017200717.db2.gz FGLZGHQRHKWWAI-UHFFFAOYSA-N 1 1 304.368 3.713 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)cc1 ZINC000614777609 1017440617 /nfs/dbraw/zinc/44/06/17/1017440617.db2.gz NEAKNNKPTAGSFY-LJQANCHMSA-N 1 1 320.440 3.692 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)cc1 ZINC000614777609 1017440622 /nfs/dbraw/zinc/44/06/22/1017440622.db2.gz NEAKNNKPTAGSFY-LJQANCHMSA-N 1 1 320.440 3.692 20 30 DHEDMO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H](C)N(CC)CC)cc1 ZINC000303873270 1017452070 /nfs/dbraw/zinc/45/20/70/1017452070.db2.gz CKBUGVSSEPWHFB-LSDHHAIUSA-N 1 1 304.482 3.657 20 30 DHEDMO CC(=O)Nc1cccc2c1CC[N@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC000186698562 1017556651 /nfs/dbraw/zinc/55/66/51/1017556651.db2.gz BRTKZSSMGBVOGI-AWEZNQCLSA-N 1 1 319.408 3.636 20 30 DHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000083170481 1017613962 /nfs/dbraw/zinc/61/39/62/1017613962.db2.gz QQDGXBUKKMIXFG-BEFAXECRSA-N 1 1 322.408 3.508 20 30 DHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000083170481 1017613981 /nfs/dbraw/zinc/61/39/81/1017613981.db2.gz QQDGXBUKKMIXFG-BEFAXECRSA-N 1 1 322.408 3.508 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000444669764 1017622314 /nfs/dbraw/zinc/62/23/14/1017622314.db2.gz FWBBLYZKVSBCQI-UHFFFAOYSA-N 1 1 319.415 3.665 20 30 DHEDMO Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000046529563 1017624379 /nfs/dbraw/zinc/62/43/79/1017624379.db2.gz FWYBPVMJQWZRDX-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000046529563 1017624388 /nfs/dbraw/zinc/62/43/88/1017624388.db2.gz FWYBPVMJQWZRDX-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2cnc3c(c2)c(C)nn3C)CCCC1(C)C ZINC000444782153 1017662025 /nfs/dbraw/zinc/66/20/25/1017662025.db2.gz HXKCTIHJLFDYMW-QGZVFWFLSA-N 1 1 312.461 3.843 20 30 DHEDMO N#Cc1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(C(F)(F)F)c1 ZINC000091479648 1017765774 /nfs/dbraw/zinc/76/57/74/1017765774.db2.gz AQOKTBRIDSWCPW-GFCCVEGCSA-N 1 1 320.318 3.684 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000625701388 1017778260 /nfs/dbraw/zinc/77/82/60/1017778260.db2.gz QRYIFFTXKKYDSU-CYBMUJFWSA-N 1 1 301.365 3.582 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CCCCOc2c(OC)cccc2OC)C1 ZINC000625701996 1017778518 /nfs/dbraw/zinc/77/85/18/1017778518.db2.gz MJULGIDHNYYDSW-INIZCTEOSA-N 1 1 319.445 3.761 20 30 DHEDMO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000625700011 1017778983 /nfs/dbraw/zinc/77/89/83/1017778983.db2.gz GSNBDRFGFNGBBC-AWEZNQCLSA-N 1 1 306.837 3.793 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000625700011 1017778987 /nfs/dbraw/zinc/77/89/87/1017778987.db2.gz GSNBDRFGFNGBBC-AWEZNQCLSA-N 1 1 306.837 3.793 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H](CCN(C)C)C(C)(C)C)cc1 ZINC000523862961 1017809933 /nfs/dbraw/zinc/80/99/33/1017809933.db2.gz FBRVBGOJKWIPDP-SFHVURJKSA-N 1 1 304.478 3.707 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC001171489295 1032727643 /nfs/dbraw/zinc/72/76/43/1032727643.db2.gz GFNNIEMIFAOVGK-LSDHHAIUSA-N 1 1 318.848 3.711 20 30 DHEDMO C=CCCC[C@H](C)[N@@H+](CC)CC(=O)Nc1ccccc1OC ZINC000091506788 1017852075 /nfs/dbraw/zinc/85/20/75/1017852075.db2.gz ITDQUEVRIBLCFU-HNNXBMFYSA-N 1 1 304.434 3.700 20 30 DHEDMO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](CO)c2c(Cl)cccc2Cl)C1 ZINC000475630266 1017911511 /nfs/dbraw/zinc/91/15/11/1017911511.db2.gz ZBRCPTXGOMPCMB-JTNHKYCSSA-N 1 1 313.228 3.699 20 30 DHEDMO C=CC[N@H+](CCC(C)(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000524175803 1017921140 /nfs/dbraw/zinc/92/11/40/1017921140.db2.gz YWHFFFBEIYSUSD-HNNXBMFYSA-N 1 1 313.449 3.648 20 30 DHEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1c(C#N)nnc2ccccc21 ZINC000524724955 1018072972 /nfs/dbraw/zinc/07/29/72/1018072972.db2.gz VPBSKTVFOWSVDH-OAHLLOKOSA-N 1 1 323.444 3.568 20 30 DHEDMO COc1ccc(C[C@@H](C)C[N@H+](CC#N)C2CCCC2)cc1F ZINC000185253151 1018111722 /nfs/dbraw/zinc/11/17/22/1018111722.db2.gz FAOYBBUUBDFURQ-CQSZACIVSA-N 1 1 304.409 3.781 20 30 DHEDMO COc1ccc(C[C@@H](C)C[N@@H+](CC#N)C2CCCC2)cc1F ZINC000185253151 1018111729 /nfs/dbraw/zinc/11/17/29/1018111729.db2.gz FAOYBBUUBDFURQ-CQSZACIVSA-N 1 1 304.409 3.781 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](CC(C)C)C1CCCC1 ZINC000524907433 1018126634 /nfs/dbraw/zinc/12/66/34/1018126634.db2.gz HCQLLEYSBITJBK-UHFFFAOYSA-N 1 1 316.445 3.846 20 30 DHEDMO CCOc1ccc2c(c1)CC[N@@H+](Cc1cc(C#N)ccc1OC)C2 ZINC000441068377 1018202270 /nfs/dbraw/zinc/20/22/70/1018202270.db2.gz NGROIJQKCOGHDG-UHFFFAOYSA-N 1 1 322.408 3.524 20 30 DHEDMO CCOc1ccc2c(c1)CC[N@H+](Cc1cc(C#N)ccc1OC)C2 ZINC000441068377 1018202279 /nfs/dbraw/zinc/20/22/79/1018202279.db2.gz NGROIJQKCOGHDG-UHFFFAOYSA-N 1 1 322.408 3.524 20 30 DHEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171543014 1032755166 /nfs/dbraw/zinc/75/51/66/1032755166.db2.gz CWDBPOMIFRYORD-DGCLKSJQSA-N 1 1 308.347 3.587 20 30 DHEDMO C=CCC1(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC000458468014 1018310075 /nfs/dbraw/zinc/31/00/75/1018310075.db2.gz PKTDFUDRGIDLFX-ALOPSCKCSA-N 1 1 319.493 3.580 20 30 DHEDMO C=CCCCCC[N@@H+](C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000150890090 1018317616 /nfs/dbraw/zinc/31/76/16/1018317616.db2.gz NSTKDSOFFBEQOI-UHFFFAOYSA-N 1 1 319.836 3.755 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000150890090 1018317633 /nfs/dbraw/zinc/31/76/33/1018317633.db2.gz NSTKDSOFFBEQOI-UHFFFAOYSA-N 1 1 319.836 3.755 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])cc1C#N ZINC000052247423 1018318986 /nfs/dbraw/zinc/31/89/86/1018318986.db2.gz ULAMECOVMJOWOH-CQSZACIVSA-N 1 1 316.405 3.533 20 30 DHEDMO C=C(Cl)C[N@@H+](CCc1ccc(OC)c(OC)c1)CC(C)C ZINC000734638816 1018342397 /nfs/dbraw/zinc/34/23/97/1018342397.db2.gz JYKVLAWHVAQBHQ-UHFFFAOYSA-N 1 1 311.853 3.957 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000525635972 1018342271 /nfs/dbraw/zinc/34/22/71/1018342271.db2.gz ZVEUGRWHRUKXHV-IBGZPJMESA-N 1 1 314.473 3.947 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000525634420 1018343058 /nfs/dbraw/zinc/34/30/58/1018343058.db2.gz SSFCNUYRLSOXPD-GOSISDBHSA-N 1 1 306.409 3.502 20 30 DHEDMO N#Cc1c(F)cccc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000428472324 1018345781 /nfs/dbraw/zinc/34/57/81/1018345781.db2.gz HOSGWJKDBXKXSW-UHFFFAOYSA-N 1 1 324.399 3.879 20 30 DHEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000447400634 1018389428 /nfs/dbraw/zinc/38/94/28/1018389428.db2.gz QLXKTKKTXXIRNM-IBGZPJMESA-N 1 1 311.429 3.592 20 30 DHEDMO CC[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000447551993 1018409156 /nfs/dbraw/zinc/40/91/56/1018409156.db2.gz SBJKUWCXAWBAJX-HXUWFJFHSA-N 1 1 316.408 3.985 20 30 DHEDMO Cn1cccc1[C@H]1CCCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000175119332 1018501647 /nfs/dbraw/zinc/50/16/47/1018501647.db2.gz QHLHIBSVYKGLKV-LJQANCHMSA-N 1 1 309.413 3.503 20 30 DHEDMO CCOC(=O)CC[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246736367 1018503523 /nfs/dbraw/zinc/50/35/23/1018503523.db2.gz PBUXTXCSLKQXBJ-WBVHZDCISA-N 1 1 314.429 3.675 20 30 DHEDMO Cc1cccc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000022850423 1018513031 /nfs/dbraw/zinc/51/30/31/1018513031.db2.gz NKWFWWAXQICMOR-UHFFFAOYSA-N 1 1 319.452 3.575 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000675552331 1018524207 /nfs/dbraw/zinc/52/42/07/1018524207.db2.gz JYRBROZJEYVMSS-UHFFFAOYSA-N 1 1 302.462 3.666 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000675552331 1018524215 /nfs/dbraw/zinc/52/42/15/1018524215.db2.gz JYRBROZJEYVMSS-UHFFFAOYSA-N 1 1 302.462 3.666 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000448250808 1018565489 /nfs/dbraw/zinc/56/54/89/1018565489.db2.gz YKIRHJMNQKLXCC-LJQANCHMSA-N 1 1 306.409 3.774 20 30 DHEDMO C=C[C@H](CC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000245625449 1018569597 /nfs/dbraw/zinc/56/95/97/1018569597.db2.gz GJKRMKRGIZPQBN-OKZBNKHCSA-N 1 1 314.473 3.583 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000178924313 1018571265 /nfs/dbraw/zinc/57/12/65/1018571265.db2.gz QKNPHFQBANGJCZ-UHFFFAOYSA-N 1 1 317.392 3.603 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000178924313 1018571274 /nfs/dbraw/zinc/57/12/74/1018571274.db2.gz QKNPHFQBANGJCZ-UHFFFAOYSA-N 1 1 317.392 3.603 20 30 DHEDMO C=C(C)C(C)(C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001129097761 1018615994 /nfs/dbraw/zinc/61/59/94/1018615994.db2.gz PIIQJXHTRVBNEJ-UHFFFAOYSA-N 1 1 314.473 3.760 20 30 DHEDMO C[C@H](NC(=O)c1conc1C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329441422 1018681940 /nfs/dbraw/zinc/68/19/40/1018681940.db2.gz AKPXUXPZEDLEFR-JSGCOSHPSA-N 1 1 317.433 3.510 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000157961921 1018717562 /nfs/dbraw/zinc/71/75/62/1018717562.db2.gz CZELLNDUYYYJKO-HNNXBMFYSA-N 1 1 300.402 3.513 20 30 DHEDMO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000060355820 1018756954 /nfs/dbraw/zinc/75/69/54/1018756954.db2.gz SJNWQLBPUOOTIC-QGZVFWFLSA-N 1 1 309.388 3.774 20 30 DHEDMO COc1c(C)cc(C[N@@H+](C)CCOc2ccc(C#N)cc2)cc1C ZINC000110289309 1018879904 /nfs/dbraw/zinc/87/99/04/1018879904.db2.gz GRZJQCFREHTHHR-UHFFFAOYSA-N 1 1 324.424 3.695 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc(OC)cc1F ZINC000584027826 1018880569 /nfs/dbraw/zinc/88/05/69/1018880569.db2.gz MUIWLPFGOMRDBT-UHFFFAOYSA-N 1 1 301.361 3.689 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000584083176 1018930093 /nfs/dbraw/zinc/93/00/93/1018930093.db2.gz FWUZRVQYJZFTGT-GQIGUUNPSA-N 1 1 311.473 3.503 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000584083176 1018930105 /nfs/dbraw/zinc/93/01/05/1018930105.db2.gz FWUZRVQYJZFTGT-GQIGUUNPSA-N 1 1 311.473 3.503 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000584083176 1018930126 /nfs/dbraw/zinc/93/01/26/1018930126.db2.gz FWUZRVQYJZFTGT-GQIGUUNPSA-N 1 1 311.473 3.503 20 30 DHEDMO C[C@@H](c1ccc(F)cc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000052801170 1018942167 /nfs/dbraw/zinc/94/21/67/1018942167.db2.gz MICCUZXBAVHAPD-INIZCTEOSA-N 1 1 323.415 3.971 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000252000714 1018953176 /nfs/dbraw/zinc/95/31/76/1018953176.db2.gz MIVPACOKVIXQSH-SFHVURJKSA-N 1 1 319.452 3.827 20 30 DHEDMO C#CCC1([NH2+]Cc2nc(Cl)ccc2Br)CCC1 ZINC000922998145 1018973780 /nfs/dbraw/zinc/97/37/80/1018973780.db2.gz QKQDASNKGCWZFD-UHFFFAOYSA-N 1 1 313.626 3.533 20 30 DHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000307781305 1018978493 /nfs/dbraw/zinc/97/84/93/1018978493.db2.gz UTFQOZWBEXYTKM-HUUCEWRRSA-N 1 1 313.445 3.643 20 30 DHEDMO C[C@@H](C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000263879457 1032803509 /nfs/dbraw/zinc/80/35/09/1032803509.db2.gz KWGXWEIAMMXHAH-JKSUJKDBSA-N 1 1 321.424 3.621 20 30 DHEDMO CC(C)[N@@H+](C)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000063583603 1019059978 /nfs/dbraw/zinc/05/99/78/1019059978.db2.gz RLXLABJKCRUECS-UHFFFAOYSA-N 1 1 323.396 3.629 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000075865166 1019063986 /nfs/dbraw/zinc/06/39/86/1019063986.db2.gz ZDEPSEWEXVBMGK-HXUWFJFHSA-N 1 1 306.409 3.597 20 30 DHEDMO CC[N@H+](Cc1ccc2c(c1)OCO2)CC1CCC(C#N)CC1 ZINC000929255450 1019076538 /nfs/dbraw/zinc/07/65/38/1019076538.db2.gz VARXTTYKYNQRCI-UHFFFAOYSA-N 1 1 300.402 3.567 20 30 DHEDMO Fc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000076181293 1019083226 /nfs/dbraw/zinc/08/32/26/1019083226.db2.gz HJMQEVXQBARWNH-PHIMTYICSA-N 1 1 315.232 3.998 20 30 DHEDMO Fc1cccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000076181293 1019083243 /nfs/dbraw/zinc/08/32/43/1019083243.db2.gz HJMQEVXQBARWNH-PHIMTYICSA-N 1 1 315.232 3.998 20 30 DHEDMO N#Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000309554128 1019092885 /nfs/dbraw/zinc/09/28/85/1019092885.db2.gz ZGHRVVOVZYPLFF-QGZVFWFLSA-N 1 1 311.816 3.898 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(C#N)cn2)cc1 ZINC000080914872 1019119429 /nfs/dbraw/zinc/11/94/29/1019119429.db2.gz RJXQAAODRJMUDK-ZDUSSCGKSA-N 1 1 303.369 3.621 20 30 DHEDMO CC(C)[N@@H+](Cc1cnc2ccccn12)Cc1ccc(C#N)cc1 ZINC000158812630 1019241953 /nfs/dbraw/zinc/24/19/53/1019241953.db2.gz QOYDDVDEHYXCLW-UHFFFAOYSA-N 1 1 304.397 3.617 20 30 DHEDMO C=CCCC[N@H+](C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000077318159 1019246671 /nfs/dbraw/zinc/24/66/71/1019246671.db2.gz PHVMVDDEAMSJEL-UHFFFAOYSA-N 1 1 305.809 3.831 20 30 DHEDMO C=CCCC[N@H+](C)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000077176962 1019253643 /nfs/dbraw/zinc/25/36/43/1019253643.db2.gz FMRSFJDOEWCZRN-WMLDXEAASA-N 1 1 311.853 3.677 20 30 DHEDMO CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1csc(C#N)c1)CCC2 ZINC000921982274 1019256361 /nfs/dbraw/zinc/25/63/61/1019256361.db2.gz FJDQFYUQHDUKQI-HNNXBMFYSA-N 1 1 300.431 3.564 20 30 DHEDMO C#CC1([NH2+]Cc2cnn(Cc3ccccc3)c2Cl)CCCC1 ZINC001203470395 1019286550 /nfs/dbraw/zinc/28/65/50/1019286550.db2.gz HRTXJUSJJNPXHF-UHFFFAOYSA-N 1 1 313.832 3.620 20 30 DHEDMO Cc1ccc(CC[C@H](C)[N@H+]2CCC3SC(=O)C=C3C2)cc1 ZINC001171669958 1032821734 /nfs/dbraw/zinc/82/17/34/1032821734.db2.gz GRFQNHQFQIIKQV-WMLDXEAASA-N 1 1 301.455 3.590 20 30 DHEDMO COC[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccc(Cl)cc1 ZINC000922068255 1019391362 /nfs/dbraw/zinc/39/13/62/1019391362.db2.gz YKIJOVWFQKVWNW-OAHLLOKOSA-N 1 1 306.818 3.750 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCCC[C@@H]2CCc2ccccc2)ccn1 ZINC000611181082 1019406984 /nfs/dbraw/zinc/40/69/84/1019406984.db2.gz XIWYWRFNROPYLJ-HXUWFJFHSA-N 1 1 305.425 3.941 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000611235367 1019416837 /nfs/dbraw/zinc/41/68/37/1019416837.db2.gz HFFRKMOIUZNSNF-HXUWFJFHSA-N 1 1 322.408 3.530 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(C)(C)CC2)c1C#N ZINC000611346981 1019454241 /nfs/dbraw/zinc/45/42/41/1019454241.db2.gz VTHFKUYICUYYND-UHFFFAOYSA-N 1 1 308.429 3.674 20 30 DHEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611348023 1019457630 /nfs/dbraw/zinc/45/76/30/1019457630.db2.gz NTJHTKJLZKAZLQ-HOCLYGCPSA-N 1 1 308.429 3.673 20 30 DHEDMO CCn1c(C[NH2+][C@@H](C)c2cccc(C#N)c2)nc2c1cccc2F ZINC000611387854 1019462595 /nfs/dbraw/zinc/46/25/95/1019462595.db2.gz GYACCPFPPLUXSU-ZDUSSCGKSA-N 1 1 322.387 3.918 20 30 DHEDMO COC[C@@H]([NH2+]Cc1csc(C#N)c1)c1cccc(Cl)c1 ZINC000922133733 1019498440 /nfs/dbraw/zinc/49/84/40/1019498440.db2.gz BNKNNQHSVMYUKV-OAHLLOKOSA-N 1 1 306.818 3.750 20 30 DHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000611554341 1019515769 /nfs/dbraw/zinc/51/57/69/1019515769.db2.gz MCUDDCPWCAOSRA-MFKMUULPSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)cc1F ZINC000611554341 1019515774 /nfs/dbraw/zinc/51/57/74/1019515774.db2.gz MCUDDCPWCAOSRA-MFKMUULPSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H](c1ccco1)[N@H+](Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000092483618 1019516093 /nfs/dbraw/zinc/51/60/93/1019516093.db2.gz VMVRVXGNRZHRDE-CYBMUJFWSA-N 1 1 306.369 3.525 20 30 DHEDMO C[C@H](c1ccco1)[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000092483618 1019516103 /nfs/dbraw/zinc/51/61/03/1019516103.db2.gz VMVRVXGNRZHRDE-CYBMUJFWSA-N 1 1 306.369 3.525 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+](C)C2CCC(C)CC2)c(C#N)c1C ZINC000078728561 1019578931 /nfs/dbraw/zinc/57/89/31/1019578931.db2.gz ZWGLLJLGTHAONV-UHFFFAOYSA-N 1 1 319.474 3.686 20 30 DHEDMO C=C(Br)C[NH2+]Cc1cc(Br)ccc1F ZINC000041044086 1032844581 /nfs/dbraw/zinc/84/45/81/1032844581.db2.gz AODSFKZJDQESQZ-UHFFFAOYSA-N 1 1 323.003 3.586 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]CC1(N(C)C)CCCCC1 ZINC000060829542 1019724320 /nfs/dbraw/zinc/72/43/20/1019724320.db2.gz IWBFFPISBAYZBX-UHFFFAOYSA-N 1 1 302.462 3.606 20 30 DHEDMO C=C(C)C[N@@H+](C)CCCC(=O)c1ccc(Br)cc1 ZINC000685418162 1019801990 /nfs/dbraw/zinc/80/19/90/1019801990.db2.gz WQKBFMNRDJDLDM-UHFFFAOYSA-N 1 1 310.235 3.920 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc2cnccc21 ZINC000685442372 1019821435 /nfs/dbraw/zinc/82/14/35/1019821435.db2.gz VBXULVFGOCKUFR-UHFFFAOYSA-N 1 1 322.408 3.898 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000685464466 1019846157 /nfs/dbraw/zinc/84/61/57/1019846157.db2.gz JKNVROITOAVGAE-ZWKOTPCHSA-N 1 1 315.457 3.890 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000685464443 1019847617 /nfs/dbraw/zinc/84/76/17/1019847617.db2.gz ITDAMEXZCDQZGE-RBUKOAKNSA-N 1 1 315.457 3.890 20 30 DHEDMO N#Cc1cc(C[NH2+]Cc2cccc(OC3CC3)c2F)cs1 ZINC000922242768 1019923499 /nfs/dbraw/zinc/92/34/99/1019923499.db2.gz QCQDESYUNLKMLP-UHFFFAOYSA-N 1 1 302.374 3.590 20 30 DHEDMO C[C@H]1C[C@H](N(CC#N)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001171759400 1032864565 /nfs/dbraw/zinc/86/45/65/1032864565.db2.gz JHYKGVAYSSQLFS-RXVVDRJESA-N 1 1 319.452 3.675 20 30 DHEDMO CCC[N@@H+](C)CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000730276581 1019968833 /nfs/dbraw/zinc/96/88/33/1019968833.db2.gz NUBPMXNJLIZENM-IBGZPJMESA-N 1 1 321.424 3.622 20 30 DHEDMO CCC[N@@H+](C)CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000730276583 1019969075 /nfs/dbraw/zinc/96/90/75/1019969075.db2.gz NUBPMXNJLIZENM-LJQANCHMSA-N 1 1 321.424 3.622 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@H]1Cc3cccc(Cl)c3C1)CC2 ZINC001168721281 1019970895 /nfs/dbraw/zinc/97/08/95/1019970895.db2.gz NXHNZVFSXUAEOI-KRWDZBQOSA-N 1 1 308.812 3.737 20 30 DHEDMO N#Cc1ccc(OCCC[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000730432223 1019987838 /nfs/dbraw/zinc/98/78/38/1019987838.db2.gz AJDMZZGOWPOJTP-KRWDZBQOSA-N 1 1 324.399 3.956 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)cc1 ZINC000264176048 1032867680 /nfs/dbraw/zinc/86/76/80/1032867680.db2.gz WWWQEZIINITPPT-FQEVSTJZSA-N 1 1 322.408 3.935 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000731212093 1020079904 /nfs/dbraw/zinc/07/99/04/1020079904.db2.gz RVIOOTDRDXFONZ-IBGZPJMESA-N 1 1 308.381 3.632 20 30 DHEDMO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CC2(CCCC2)O1 ZINC001171734047 1032875293 /nfs/dbraw/zinc/87/52/93/1032875293.db2.gz AUNFXTSKQJLFKV-HNNXBMFYSA-N 1 1 303.833 3.725 20 30 DHEDMO C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CC2(CCCC2)O1 ZINC001171734047 1032875308 /nfs/dbraw/zinc/87/53/08/1032875308.db2.gz AUNFXTSKQJLFKV-HNNXBMFYSA-N 1 1 303.833 3.725 20 30 DHEDMO Oc1cccc(/C=N/C[C@H]2CCC[N@H+]2CC2CCCCC2)c1O ZINC000731488707 1020110058 /nfs/dbraw/zinc/11/00/58/1020110058.db2.gz PRHXNPFKGHWWPW-XNHPLOEXSA-N 1 1 316.445 3.561 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)s1)Cc1ccc([N+](=O)[O-])cc1 ZINC000154465553 1020112805 /nfs/dbraw/zinc/11/28/05/1020112805.db2.gz IMOSPTDOCYTTPL-UHFFFAOYSA-N 1 1 315.398 3.939 20 30 DHEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)CCc1ccccc1F ZINC000731671877 1020136641 /nfs/dbraw/zinc/13/66/41/1020136641.db2.gz YFSSXSRWBAGTNO-UHFFFAOYSA-N 1 1 312.388 3.641 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154845479 1020156536 /nfs/dbraw/zinc/15/65/36/1020156536.db2.gz NPOOMIJNCPEHCF-IBGZPJMESA-N 1 1 309.388 3.774 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154845479 1020156539 /nfs/dbraw/zinc/15/65/39/1020156539.db2.gz NPOOMIJNCPEHCF-IBGZPJMESA-N 1 1 309.388 3.774 20 30 DHEDMO CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000154975391 1020172556 /nfs/dbraw/zinc/17/25/56/1020172556.db2.gz USLJXPZWXZVQFD-YPMHNXCESA-N 1 1 317.433 3.606 20 30 DHEDMO C[C@H](C/N=C/c1cc(Cl)ccc1O)[N@@H+](C)Cc1ccccc1 ZINC000731938601 1020179155 /nfs/dbraw/zinc/17/91/55/1020179155.db2.gz VTUQOUZUDHHOBZ-MQMKENTISA-N 1 1 316.832 3.985 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Br)C1 ZINC001137815626 1020217902 /nfs/dbraw/zinc/21/79/02/1020217902.db2.gz SIENCFDPINWVEM-NSHDSACASA-N 1 1 312.638 3.948 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Br)C1 ZINC001137815626 1020217893 /nfs/dbraw/zinc/21/78/93/1020217893.db2.gz SIENCFDPINWVEM-NSHDSACASA-N 1 1 312.638 3.948 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000186312035 1020226176 /nfs/dbraw/zinc/22/61/76/1020226176.db2.gz MHEXKBDJRQXNLK-OAQYLSRUSA-N 1 1 318.420 3.541 20 30 DHEDMO C=CCCn1cc(C[NH2+]Cc2c(CC)ccc3ccccc32)nn1 ZINC000922717685 1020232018 /nfs/dbraw/zinc/23/20/18/1020232018.db2.gz WOWPKBJVGIMNSK-UHFFFAOYSA-N 1 1 320.440 3.860 20 30 DHEDMO CCn1nc(C[NH2+]Cc2ccc(C)c(C#N)c2)c2ccccc21 ZINC000922760090 1020251925 /nfs/dbraw/zinc/25/19/25/1020251925.db2.gz ZDQIQJBXHOVYDM-UHFFFAOYSA-N 1 1 304.397 3.526 20 30 DHEDMO CCCCCCCC[C@@H](C)OCCCC[C@@H]([NH3+])C(=O)OC ZINC001217889865 1020260386 /nfs/dbraw/zinc/26/03/86/1020260386.db2.gz DXTZICIMLATGGX-HZPDHXFCSA-N 1 1 301.471 3.813 20 30 DHEDMO C=CC[N@@H+](CC1CCCCC1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000732667693 1020267628 /nfs/dbraw/zinc/26/76/28/1020267628.db2.gz BLXDQNZWZFIXOR-LJQANCHMSA-N 1 1 312.457 3.986 20 30 DHEDMO N#Cc1ccnc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)c1 ZINC001171791724 1032888174 /nfs/dbraw/zinc/88/81/74/1032888174.db2.gz OAANMIPUTACIIY-GOSISDBHSA-N 1 1 309.388 3.690 20 30 DHEDMO COc1cccc(C[NH2+][C@H](CCC#N)c2ccccc2)c1OC ZINC000130606764 1032893907 /nfs/dbraw/zinc/89/39/07/1032893907.db2.gz FCGJNGGJPMVJBS-QGZVFWFLSA-N 1 1 310.397 3.838 20 30 DHEDMO C=CC[N@@H+](CCOC1CCOCC1)Cc1ccc(Cl)s1 ZINC000625045971 1020344404 /nfs/dbraw/zinc/34/44/04/1020344404.db2.gz SINGIWSZYDAJLJ-UHFFFAOYSA-N 1 1 315.866 3.585 20 30 DHEDMO C=CC[N@H+](CCOC1CCOCC1)Cc1ccc(Cl)s1 ZINC000625045971 1020344415 /nfs/dbraw/zinc/34/44/15/1020344415.db2.gz SINGIWSZYDAJLJ-UHFFFAOYSA-N 1 1 315.866 3.585 20 30 DHEDMO Cc1ccnc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000310264008 1020345849 /nfs/dbraw/zinc/34/58/49/1020345849.db2.gz GXICBPXVMAIDSY-SFHVURJKSA-N 1 1 320.440 3.586 20 30 DHEDMO C[C@@H](c1ccccc1F)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000733302001 1020360957 /nfs/dbraw/zinc/36/09/57/1020360957.db2.gz GMXVZCBNGAVXKC-HNNXBMFYSA-N 1 1 309.388 3.581 20 30 DHEDMO C#CCOc1ccc(C[NH2+][C@H](C)c2c(F)cccc2F)cc1 ZINC000733324983 1020371847 /nfs/dbraw/zinc/37/18/47/1020371847.db2.gz PTBYGVULOVHEET-CYBMUJFWSA-N 1 1 301.336 3.828 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000586775117 1020375880 /nfs/dbraw/zinc/37/58/80/1020375880.db2.gz MYXVTYDVQJKYEA-GOSISDBHSA-N 1 1 308.429 3.938 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000586775117 1020375890 /nfs/dbraw/zinc/37/58/90/1020375890.db2.gz MYXVTYDVQJKYEA-GOSISDBHSA-N 1 1 308.429 3.938 20 30 DHEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(NCCOc2cccnc2)cc1 ZINC001168621121 1020376364 /nfs/dbraw/zinc/37/63/64/1020376364.db2.gz NYPIBKUSHVELOT-FQEVSTJZSA-N 1 1 323.440 3.895 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@H]2CO)cc1 ZINC000123019866 1020404138 /nfs/dbraw/zinc/40/41/38/1020404138.db2.gz RUAFHZPREPCLSQ-IBGZPJMESA-N 1 1 306.409 3.572 20 30 DHEDMO C=CCOCCC[N@H+](C)Cc1csc(Br)c1 ZINC000347974427 1020462107 /nfs/dbraw/zinc/46/21/07/1020462107.db2.gz SUUNPKDWNMIDAB-UHFFFAOYSA-N 1 1 304.253 3.535 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC001171847678 1032904000 /nfs/dbraw/zinc/90/40/00/1032904000.db2.gz PKJPQIKCDNOEBK-LBPRGKRZSA-N 1 1 310.800 3.706 20 30 DHEDMO C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCCc2oc(C)nc21)C(C)C ZINC000924641845 1032904505 /nfs/dbraw/zinc/90/45/05/1032904505.db2.gz DAQZNUCJOGOBCD-DLBZAZTESA-N 1 1 317.477 3.649 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+](CC2CCC2)[C@@H](C)c2ccccc2)C1=O ZINC000337134355 1032904875 /nfs/dbraw/zinc/90/48/75/1032904875.db2.gz BHHQGEZDSRNGMU-QFBILLFUSA-N 1 1 312.457 3.637 20 30 DHEDMO CCOc1ccccc1C[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337141508 1032905390 /nfs/dbraw/zinc/90/53/90/1032905390.db2.gz SJAGZSURHUHBEQ-UHFFFAOYSA-N 1 1 316.445 3.618 20 30 DHEDMO CC[N@H+](Cc1ccncc1)Cc1ccc(C#N)cc1OC(F)F ZINC000348077612 1020494967 /nfs/dbraw/zinc/49/49/67/1020494967.db2.gz PLRGENRWHUVHNP-UHFFFAOYSA-N 1 1 317.339 3.577 20 30 DHEDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(C#N)cc1OC(F)F ZINC000348077612 1020494974 /nfs/dbraw/zinc/49/49/74/1020494974.db2.gz PLRGENRWHUVHNP-UHFFFAOYSA-N 1 1 317.339 3.577 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCNc1c(C#N)cnc2ccccc21 ZINC000301058063 1020501272 /nfs/dbraw/zinc/50/12/72/1020501272.db2.gz BESCDWSKNHVISO-HNNXBMFYSA-N 1 1 308.429 3.783 20 30 DHEDMO C#CC1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC001231436041 1020517067 /nfs/dbraw/zinc/51/70/67/1020517067.db2.gz DFMPDHLUJQDWTA-UHFFFAOYSA-N 1 1 312.638 3.948 20 30 DHEDMO C#CC[N@@H+](Cc1cccc(SC(F)(F)F)c1)C1CSC1 ZINC001171867922 1032908440 /nfs/dbraw/zinc/90/84/40/1032908440.db2.gz RJDDGXKXFDBDAQ-UHFFFAOYSA-N 1 1 317.401 3.849 20 30 DHEDMO C#CC[N@H+](Cc1cccc(SC(F)(F)F)c1)C1CSC1 ZINC001171867922 1032908449 /nfs/dbraw/zinc/90/84/49/1032908449.db2.gz RJDDGXKXFDBDAQ-UHFFFAOYSA-N 1 1 317.401 3.849 20 30 DHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC001171882443 1032908700 /nfs/dbraw/zinc/90/87/00/1032908700.db2.gz STGKHGPIJRTSNZ-BEFAXECRSA-N 1 1 321.509 3.578 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccncc2)cc1F ZINC000358311545 1020536714 /nfs/dbraw/zinc/53/67/14/1020536714.db2.gz PNCJSVIQMVAVHJ-FQEVSTJZSA-N 1 1 317.367 3.972 20 30 DHEDMO CC[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCCc2cccnc21 ZINC000365001149 1020538253 /nfs/dbraw/zinc/53/82/53/1020538253.db2.gz RYBWKJQOJFQINJ-GOSISDBHSA-N 1 1 309.388 3.992 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCCc2cccnc21 ZINC000365001149 1020538261 /nfs/dbraw/zinc/53/82/61/1020538261.db2.gz RYBWKJQOJFQINJ-GOSISDBHSA-N 1 1 309.388 3.992 20 30 DHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000302800370 1020550139 /nfs/dbraw/zinc/55/01/39/1020550139.db2.gz TYZOLTWLWPLTOQ-FRRDWIJNSA-N 1 1 319.836 3.517 20 30 DHEDMO CCCC[N@@H+](CCC#N)[C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168654288 1020574134 /nfs/dbraw/zinc/57/41/34/1020574134.db2.gz RSCPFQRRXQLNOK-PKOBYXMFSA-N 1 1 316.445 3.931 20 30 DHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303593532 1020584820 /nfs/dbraw/zinc/58/48/20/1020584820.db2.gz SSXVMPMNNGYZTE-JXFKEZNVSA-N 1 1 323.440 3.708 20 30 DHEDMO CCC(CC)NN=Cc1cc(C)n(C[C@H]2CCC[N@H+]2CC)c1C ZINC000734366211 1020595457 /nfs/dbraw/zinc/59/54/57/1020595457.db2.gz IVLOFECFIWGEAB-LJQANCHMSA-N 1 1 318.509 3.701 20 30 DHEDMO CCC(CC)NN=Cc1cc(C)n(C[C@@H]2CCC[N@H+]2CC)c1C ZINC000734366210 1020596196 /nfs/dbraw/zinc/59/61/96/1020596196.db2.gz IVLOFECFIWGEAB-IBGZPJMESA-N 1 1 318.509 3.701 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H]2CCSc3c(F)cccc32)CC1 ZINC000177916280 1020600800 /nfs/dbraw/zinc/60/08/00/1020600800.db2.gz GDHYCWDGTJDIFR-KRWDZBQOSA-N 1 1 320.477 3.993 20 30 DHEDMO Cc1sc(C[NH2+]Cc2cc(C#N)n(C)c2)nc1-c1ccccc1 ZINC000365344634 1020607556 /nfs/dbraw/zinc/60/75/56/1020607556.db2.gz OSXTWADLVJYHRE-UHFFFAOYSA-N 1 1 322.437 3.619 20 30 DHEDMO N#CC1(CCC[N@H+](CCC(F)(F)F)CC2CC2)CCOCC1 ZINC000337181824 1032912812 /nfs/dbraw/zinc/91/28/12/1032912812.db2.gz MRHWHVRFOGCXAR-UHFFFAOYSA-N 1 1 318.383 3.751 20 30 DHEDMO CC(C)[N@@H+](CCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000058396952 1020610302 /nfs/dbraw/zinc/61/03/02/1020610302.db2.gz YZRSCWFVRUTBNK-UHFFFAOYSA-N 1 1 302.418 3.500 20 30 DHEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000179926744 1020614399 /nfs/dbraw/zinc/61/43/99/1020614399.db2.gz FSVPOMRGYVNZCO-LBPRGKRZSA-N 1 1 314.360 3.565 20 30 DHEDMO COc1ccccc1C[N@@H+](CCC(C)(C)C#N)C[C@H]1CCCO1 ZINC000131114062 1032919610 /nfs/dbraw/zinc/91/96/10/1032919610.db2.gz VLOISCGQCDFHOJ-QGZVFWFLSA-N 1 1 316.445 3.616 20 30 DHEDMO C#CC[N@H+](CCCCCC(=O)OCC)[C@@H]1CCc2ccccc21 ZINC000735491286 1020739133 /nfs/dbraw/zinc/73/91/33/1020739133.db2.gz HKABPEHLWARXPA-LJQANCHMSA-N 1 1 313.441 3.733 20 30 DHEDMO C=CC[N@H+](Cc1cccc(S(C)(=O)=O)c1)CC1CCCCC1 ZINC000449037356 1020796283 /nfs/dbraw/zinc/79/62/83/1020796283.db2.gz YUQSXNWNAWTEDA-UHFFFAOYSA-N 1 1 321.486 3.658 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000736629979 1020825238 /nfs/dbraw/zinc/82/52/38/1020825238.db2.gz WMANVNDIMRXHIG-SFHVURJKSA-N 1 1 324.399 3.793 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000661386813 1020845690 /nfs/dbraw/zinc/84/56/90/1020845690.db2.gz UXYHNWWQIJYNMZ-IAGOWNOFSA-N 1 1 306.494 3.559 20 30 DHEDMO C=CCC[N@@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000739912248 1020923477 /nfs/dbraw/zinc/92/34/77/1020923477.db2.gz IHNBCWIEYHTUKT-HOTGVXAUSA-N 1 1 308.466 3.817 20 30 DHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000739915155 1020924679 /nfs/dbraw/zinc/92/46/79/1020924679.db2.gz OGUJVMQBEAMTBU-ICSRJNTNSA-N 1 1 324.424 3.595 20 30 DHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000739915155 1020924688 /nfs/dbraw/zinc/92/46/88/1020924688.db2.gz OGUJVMQBEAMTBU-ICSRJNTNSA-N 1 1 324.424 3.595 20 30 DHEDMO CC(C)C[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000264493898 1032942281 /nfs/dbraw/zinc/94/22/81/1032942281.db2.gz TYLNSWDVRPMDAM-AWEZNQCLSA-N 1 1 319.474 3.607 20 30 DHEDMO CC(C)C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180139878 1020940205 /nfs/dbraw/zinc/94/02/05/1020940205.db2.gz YGLNMJVVLOXHIU-QGZVFWFLSA-N 1 1 322.456 3.827 20 30 DHEDMO CCCCCCC[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000740875065 1020958428 /nfs/dbraw/zinc/95/84/28/1020958428.db2.gz BOSIMUWDRUZFPZ-UHFFFAOYSA-N 1 1 308.491 3.866 20 30 DHEDMO CC(=O)Oc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000178139076 1020959599 /nfs/dbraw/zinc/95/95/99/1020959599.db2.gz LCKMIRGVQVSBBN-UHFFFAOYSA-N 1 1 320.392 3.648 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000613492110 1021000139 /nfs/dbraw/zinc/00/01/39/1021000139.db2.gz HSXPFGMNXLYUGC-QGZVFWFLSA-N 1 1 320.864 3.902 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000613492110 1021000153 /nfs/dbraw/zinc/00/01/53/1021000153.db2.gz HSXPFGMNXLYUGC-QGZVFWFLSA-N 1 1 320.864 3.902 20 30 DHEDMO C[C@@H]1C[C@@H](/N=C\c2cc(Cl)cc(Cl)c2O)CC[N@@H+]1C ZINC000741465070 1021008338 /nfs/dbraw/zinc/00/83/38/1021008338.db2.gz SOJKUMJSJPVBIX-ULQYEZCCSA-N 1 1 301.217 3.601 20 30 DHEDMO C[C@@H]1C[C@@H](/N=C\c2cc(Cl)cc(Cl)c2O)CC[N@H+]1C ZINC000741465070 1021008344 /nfs/dbraw/zinc/00/83/44/1021008344.db2.gz SOJKUMJSJPVBIX-ULQYEZCCSA-N 1 1 301.217 3.601 20 30 DHEDMO COc1cccc2cc(C[NH2+]Cc3cc(C#N)ccc3F)oc21 ZINC000742381920 1021109963 /nfs/dbraw/zinc/10/99/63/1021109963.db2.gz SEXKPGMPLIHVNU-UHFFFAOYSA-N 1 1 310.328 3.742 20 30 DHEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccccc2OCC2CC2)c1 ZINC000742381670 1021110139 /nfs/dbraw/zinc/11/01/39/1021110139.db2.gz BYQHXCHSOVXXBF-UHFFFAOYSA-N 1 1 310.372 3.776 20 30 DHEDMO COc1ccc(C[N@@H+]2CCc3cc(F)cc(C)c3C2)cc1C#N ZINC000337384615 1032956727 /nfs/dbraw/zinc/95/67/27/1032956727.db2.gz DRFFNVQOHKNITP-UHFFFAOYSA-N 1 1 310.372 3.573 20 30 DHEDMO COc1ccc(C[N@H+]2CCc3cc(F)cc(C)c3C2)cc1C#N ZINC000337384615 1032956734 /nfs/dbraw/zinc/95/67/34/1032956734.db2.gz DRFFNVQOHKNITP-UHFFFAOYSA-N 1 1 310.372 3.573 20 30 DHEDMO C#CCC[NH+]1CCN(C(=O)[C@](C)(CC)CCCCCC)CC1 ZINC000742606926 1021142009 /nfs/dbraw/zinc/14/20/09/1021142009.db2.gz LLVXNBXVXUELBT-LJQANCHMSA-N 1 1 306.494 3.541 20 30 DHEDMO CC(C)C[C@@H](C#N)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976068 1032959495 /nfs/dbraw/zinc/95/94/95/1032959495.db2.gz PATKOUJYAVYWJA-OALUTQOASA-N 1 1 313.489 3.957 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000264544795 1032959757 /nfs/dbraw/zinc/95/97/57/1032959757.db2.gz JDADRBHTOONNCJ-QGZVFWFLSA-N 1 1 310.372 3.718 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000743261434 1021250062 /nfs/dbraw/zinc/25/00/62/1021250062.db2.gz HMOZEHCBWNPKOF-FQEVSTJZSA-N 1 1 311.425 3.725 20 30 DHEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000091080400 1021260881 /nfs/dbraw/zinc/26/08/81/1021260881.db2.gz POSUBFJAYLKLFG-QGZVFWFLSA-N 1 1 313.832 3.869 20 30 DHEDMO C=CCCCCC[N@H+](C)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000743372229 1021273116 /nfs/dbraw/zinc/27/31/16/1021273116.db2.gz ZQIFPTRKUDOIKS-FUHWJXTLSA-N 1 1 300.446 3.842 20 30 DHEDMO C[N@@H+](CC[C@H]1CCCO1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356421450 1021277417 /nfs/dbraw/zinc/27/74/17/1021277417.db2.gz IXKHCCWJAMBPGM-CQSZACIVSA-N 1 1 312.335 3.578 20 30 DHEDMO CC1(C)C[C@H](NCc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC001171976979 1032965829 /nfs/dbraw/zinc/96/58/29/1032965829.db2.gz WCHWWGZEXHASJO-QGZVFWFLSA-N 1 1 323.440 3.684 20 30 DHEDMO CC1(C)C[C@@H](N2CCCC[C@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC001171985810 1032969819 /nfs/dbraw/zinc/96/98/19/1032969819.db2.gz CNEJISVETCAQQR-OALUTQOASA-N 1 1 311.473 3.808 20 30 DHEDMO COc1ccc(C[N@@H+](C)CCCCC(C)(C)C#N)cc1OC ZINC000618273397 1021342406 /nfs/dbraw/zinc/34/24/06/1021342406.db2.gz NPFNNRFRVAGGBB-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1[N+](=O)[O-] ZINC000181837036 1021364843 /nfs/dbraw/zinc/36/48/43/1021364843.db2.gz NGEYITCESJOLPF-GFCCVEGCSA-N 1 1 313.332 3.765 20 30 DHEDMO C[C@@H]1C[NH+](Cc2cc(Cl)ccc2OCC#N)C[C@@H](C)S1 ZINC000743857943 1021381186 /nfs/dbraw/zinc/38/11/86/1021381186.db2.gz YAPXUHIKVQPMOS-VXGBXAGGSA-N 1 1 310.850 3.568 20 30 DHEDMO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1cccc(F)c1F ZINC000181976367 1021412586 /nfs/dbraw/zinc/41/25/86/1021412586.db2.gz PSMPSTJZBDIULQ-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO C=CC[N@H+](Cc1nc(-c2ccccn2)no1)CC1CCCCC1 ZINC000070015987 1021475024 /nfs/dbraw/zinc/47/50/24/1021475024.db2.gz LRMSIFGPZQHGQQ-UHFFFAOYSA-N 1 1 312.417 3.700 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000538096808 1032984540 /nfs/dbraw/zinc/98/45/40/1032984540.db2.gz UCYOHFSWNUTULY-IRXDYDNUSA-N 1 1 315.461 3.785 20 30 DHEDMO CC[C@@](C)(C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063792 1032988591 /nfs/dbraw/zinc/98/85/91/1032988591.db2.gz DODCYDYDJMRIQX-HAGHYFMRSA-N 1 1 311.473 3.854 20 30 DHEDMO CC[C@](C)(C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063798 1032988850 /nfs/dbraw/zinc/98/88/50/1032988850.db2.gz DODCYDYDJMRIQX-YSTOQKLRSA-N 1 1 311.473 3.854 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccccc1 ZINC000613612726 1021562709 /nfs/dbraw/zinc/56/27/09/1021562709.db2.gz LGIZAMHEKVGDPY-UHFFFAOYSA-N 1 1 312.457 3.608 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1ccccc1 ZINC000613612726 1021562726 /nfs/dbraw/zinc/56/27/26/1021562726.db2.gz LGIZAMHEKVGDPY-UHFFFAOYSA-N 1 1 312.457 3.608 20 30 DHEDMO COc1ccc(C[C@@H](C)C[N@H+]2CCC[C@](C)(C#N)C2)cc1F ZINC000613620662 1021576864 /nfs/dbraw/zinc/57/68/64/1021576864.db2.gz HILOWRFUOAIGLH-RDTXWAMCSA-N 1 1 304.409 3.639 20 30 DHEDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619178980 1021671350 /nfs/dbraw/zinc/67/13/50/1021671350.db2.gz BILUQFAQDKQYPF-YJBOKZPZSA-N 1 1 300.446 3.613 20 30 DHEDMO C[C@@H]1C[C@@H](NCC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379653117 1021676713 /nfs/dbraw/zinc/67/67/13/1021676713.db2.gz YUSGSNXVIMMLSL-KNQAVFIVSA-N 1 1 318.464 3.681 20 30 DHEDMO C[C@@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)CCN1Cc1ccccc1 ZINC000379653117 1021676715 /nfs/dbraw/zinc/67/67/15/1021676715.db2.gz YUSGSNXVIMMLSL-KNQAVFIVSA-N 1 1 318.464 3.681 20 30 DHEDMO C[C@H](CC#N)C(=O)OC[C@]1(C)CCCC[N@H+]1Cc1ccccc1 ZINC000850936757 1021690286 /nfs/dbraw/zinc/69/02/86/1021690286.db2.gz BBEASINOJYZVOF-APWZRJJASA-N 1 1 314.429 3.524 20 30 DHEDMO N#CCSCCC[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000745942721 1021800028 /nfs/dbraw/zinc/80/00/28/1021800028.db2.gz PHYNSAAZXRMYDL-OAHLLOKOSA-N 1 1 324.877 3.830 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+](CCc2ccccc2)C2CC2)c1 ZINC000746114035 1021855884 /nfs/dbraw/zinc/85/58/84/1021855884.db2.gz APIQBKVHNFWYRF-UHFFFAOYSA-N 1 1 306.409 3.644 20 30 DHEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@](C)(C#N)c1ccccc1Cl)C2 ZINC001172107167 1033012446 /nfs/dbraw/zinc/01/24/46/1033012446.db2.gz UAJBAPVXIVJWBB-ZXFNITATSA-N 1 1 317.864 3.684 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c(-c2cnn(C)c2)c1 ZINC000619845280 1021915683 /nfs/dbraw/zinc/91/56/83/1021915683.db2.gz KTLLXHDYUSIAHQ-IBGZPJMESA-N 1 1 308.429 3.521 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)c(-c2cnn(C)c2)c1 ZINC000619845280 1021915697 /nfs/dbraw/zinc/91/56/97/1021915697.db2.gz KTLLXHDYUSIAHQ-IBGZPJMESA-N 1 1 308.429 3.521 20 30 DHEDMO C=C(C)COc1cc(C[N@H+](C[C@H](C)OC)C(C)C)ccc1OC ZINC000556896319 1021932159 /nfs/dbraw/zinc/93/21/59/1021932159.db2.gz BCHOHDMOBXXDFQ-INIZCTEOSA-N 1 1 321.461 3.895 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)C2CCC(F)(F)CC2)cc1 ZINC000930491976 1022013104 /nfs/dbraw/zinc/01/31/04/1022013104.db2.gz AFFFSWPSOFSHSB-UHFFFAOYSA-N 1 1 320.383 3.506 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C[C@@H]2CCC(=O)O2)C(C)(C)C)cc1 ZINC000851811824 1022013617 /nfs/dbraw/zinc/01/36/17/1022013617.db2.gz XQSFPQGSJKXSBV-KRWDZBQOSA-N 1 1 317.429 3.558 20 30 DHEDMO C#CCOCC[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000851879049 1022026108 /nfs/dbraw/zinc/02/61/08/1022026108.db2.gz GCAXSPPXGQMPCH-QGZVFWFLSA-N 1 1 309.409 3.605 20 30 DHEDMO C=CCOc1ccccc1[C@H](C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118623 1033025530 /nfs/dbraw/zinc/02/55/30/1033025530.db2.gz SLWMGMALWJDEBQ-XLAORIBOSA-N 1 1 314.473 3.917 20 30 DHEDMO C=CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172118623 1033025534 /nfs/dbraw/zinc/02/55/34/1033025534.db2.gz SLWMGMALWJDEBQ-XLAORIBOSA-N 1 1 314.473 3.917 20 30 DHEDMO Cn1cc[nH+]c1[C@H]1CCCN([C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000851990170 1022054585 /nfs/dbraw/zinc/05/45/85/1022054585.db2.gz OVIGVIVAJAXLAB-GOEBONIOSA-N 1 1 314.820 3.518 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)C1CCC(C)(C(=O)OC)CC1 ZINC001168789796 1022104465 /nfs/dbraw/zinc/10/44/65/1022104465.db2.gz MJTINUZWJBEGNI-UHFFFAOYSA-N 1 1 301.430 3.797 20 30 DHEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CCCCc2ccccc2)C1 ZINC000852332036 1022106939 /nfs/dbraw/zinc/10/69/39/1022106939.db2.gz NOJXVUMXDPWSDF-OAQYLSRUSA-N 1 1 319.452 3.962 20 30 DHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCCCc2ccccc2)C1 ZINC000852332036 1022106947 /nfs/dbraw/zinc/10/69/47/1022106947.db2.gz NOJXVUMXDPWSDF-OAQYLSRUSA-N 1 1 319.452 3.962 20 30 DHEDMO C#CC[N@@H+](CC)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000746457859 1022108267 /nfs/dbraw/zinc/10/82/67/1022108267.db2.gz RXUQVOJDRSPIRG-UHFFFAOYSA-N 1 1 322.408 3.763 20 30 DHEDMO C=CC[N@@H+](Cc1cc(Cl)nc2ccccc12)[C@H](C)COC ZINC000852357270 1022112239 /nfs/dbraw/zinc/11/22/39/1022112239.db2.gz ZLSMLRVSADNGSH-CYBMUJFWSA-N 1 1 304.821 3.911 20 30 DHEDMO C#CCC[N@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000920417765 1022117162 /nfs/dbraw/zinc/11/71/62/1022117162.db2.gz NFAFSBTXNPLQAK-UHFFFAOYSA-N 1 1 313.228 3.667 20 30 DHEDMO C=CCC[N@@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000561380021 1022136092 /nfs/dbraw/zinc/13/60/92/1022136092.db2.gz WAADFQYBCAJYQR-CQSZACIVSA-N 1 1 301.308 3.535 20 30 DHEDMO C=CCC[N@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000561380021 1022136094 /nfs/dbraw/zinc/13/60/94/1022136094.db2.gz WAADFQYBCAJYQR-CQSZACIVSA-N 1 1 301.308 3.535 20 30 DHEDMO C#CC[N@@H+](CCCCCn1cccn1)[C@H]1CCc2ccccc21 ZINC000110789324 1022158202 /nfs/dbraw/zinc/15/82/02/1022158202.db2.gz JPTVUESOVNEVBC-FQEVSTJZSA-N 1 1 307.441 3.676 20 30 DHEDMO CCCCCCCCC[N@H+](C)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000921052498 1022209394 /nfs/dbraw/zinc/20/93/94/1022209394.db2.gz YLJLLWGLFZJJQE-CALCHBBNSA-N 1 1 320.477 3.578 20 30 DHEDMO CCCCCCCCC[N@@H+](C)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000921052498 1022209405 /nfs/dbraw/zinc/20/94/05/1022209405.db2.gz YLJLLWGLFZJJQE-CALCHBBNSA-N 1 1 320.477 3.578 20 30 DHEDMO O=C1c2ccccc2C(=O)C(Nc2c[nH+]cc3cc[nH]c32)=C1Cl ZINC001169047695 1022229624 /nfs/dbraw/zinc/22/96/24/1022229624.db2.gz WUQWUGBSPDOBSN-UHFFFAOYSA-N 1 1 323.739 3.504 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000153844611 1022255677 /nfs/dbraw/zinc/25/56/77/1022255677.db2.gz NXDJDSULECPALT-HXUWFJFHSA-N 1 1 323.411 3.716 20 30 DHEDMO C=CC[N@@H+](Cc1cc(OC(F)(F)F)ccc1N)C(C)(C)C ZINC001236310109 1022276020 /nfs/dbraw/zinc/27/60/20/1022276020.db2.gz UZMWDFFDRBZIMX-UHFFFAOYSA-N 1 1 302.340 3.954 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@H](CCF)C2)c(O)c(OC)c1 ZINC000853564683 1022294865 /nfs/dbraw/zinc/29/48/65/1022294865.db2.gz SIWODUOABIMDOC-CQSZACIVSA-N 1 1 307.409 3.701 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1c2cccc3cccc(c23)C1=O ZINC000853599278 1022295980 /nfs/dbraw/zinc/29/59/80/1022295980.db2.gz NFAYDRVFXMBXKY-IYBDPMFKSA-N 1 1 304.393 3.941 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1c2cccc3cccc(c23)C1=O ZINC000853599278 1022295987 /nfs/dbraw/zinc/29/59/87/1022295987.db2.gz NFAYDRVFXMBXKY-IYBDPMFKSA-N 1 1 304.393 3.941 20 30 DHEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000853605914 1022298586 /nfs/dbraw/zinc/29/85/86/1022298586.db2.gz PBEGBZXGULIWII-DODVFSASSA-N 1 1 306.413 3.642 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC001169215799 1022302348 /nfs/dbraw/zinc/30/23/48/1022302348.db2.gz BORDGCQLNBERSZ-UHFFFAOYSA-N 1 1 312.800 3.649 20 30 DHEDMO N#Cc1cccc(OCC[N@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC001169215799 1022302362 /nfs/dbraw/zinc/30/23/62/1022302362.db2.gz BORDGCQLNBERSZ-UHFFFAOYSA-N 1 1 312.800 3.649 20 30 DHEDMO CC[C@H]1c2ccccc2CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000609625645 1022316983 /nfs/dbraw/zinc/31/69/83/1022316983.db2.gz HLQUSMSOUFLGRB-FQEVSTJZSA-N 1 1 306.409 3.946 20 30 DHEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H](C1CCC1)C(F)(F)F ZINC001169282281 1022335746 /nfs/dbraw/zinc/33/57/46/1022335746.db2.gz RWGTYEYWFOSSKH-LBPRGKRZSA-N 1 1 310.323 3.760 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000609744596 1022341349 /nfs/dbraw/zinc/34/13/49/1022341349.db2.gz LYACJAJVJZZHLR-UHFFFAOYSA-N 1 1 324.399 3.783 20 30 DHEDMO CC(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001169382288 1022380587 /nfs/dbraw/zinc/38/05/87/1022380587.db2.gz HXSBABGNISQELH-CQSZACIVSA-N 1 1 319.836 3.518 20 30 DHEDMO N#Cc1cc2ccccc2nc1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000854000381 1022387207 /nfs/dbraw/zinc/38/72/07/1022387207.db2.gz VUSWHDHESCKZNY-INIZCTEOSA-N 1 1 320.440 3.640 20 30 DHEDMO CC1(C)C[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1c1ccncc1 ZINC000854044191 1022397638 /nfs/dbraw/zinc/39/76/38/1022397638.db2.gz YNULOONRHDZEOD-GOSISDBHSA-N 1 1 307.397 3.567 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H]1c1ccncc1 ZINC000854044191 1022397652 /nfs/dbraw/zinc/39/76/52/1022397652.db2.gz YNULOONRHDZEOD-GOSISDBHSA-N 1 1 307.397 3.567 20 30 DHEDMO CC[C@H]1CCCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000610080177 1022415796 /nfs/dbraw/zinc/41/57/96/1022415796.db2.gz QJGYBVHDASCQQC-HNNXBMFYSA-N 1 1 319.836 3.805 20 30 DHEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)Cc1ccccc1C ZINC000610132859 1022424499 /nfs/dbraw/zinc/42/44/99/1022424499.db2.gz SWNHKWZWXWLCGM-UHFFFAOYSA-N 1 1 324.424 3.776 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001169540648 1022443537 /nfs/dbraw/zinc/44/35/37/1022443537.db2.gz NPRBDHBBXMFLRT-XKGZKEIXSA-N 1 1 314.473 3.616 20 30 DHEDMO Cn1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c(-c2ccccc2)n1 ZINC000179682125 1022501938 /nfs/dbraw/zinc/50/19/38/1022501938.db2.gz DFQQBFKQABWBMM-UHFFFAOYSA-N 1 1 316.408 3.591 20 30 DHEDMO CCCC[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1O ZINC001169754314 1022531132 /nfs/dbraw/zinc/53/11/32/1022531132.db2.gz KAEHVGICDVVJAP-UHFFFAOYSA-N 1 1 324.424 3.945 20 30 DHEDMO C=CC[C@H]1[N@H+](CC(=O)Nc2ccc(Cl)cn2)CCCC1(C)C ZINC001169844983 1022562618 /nfs/dbraw/zinc/56/26/18/1022562618.db2.gz PYVDTUGOGUUQJP-CQSZACIVSA-N 1 1 321.852 3.740 20 30 DHEDMO CCCCCCCCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000766845740 1022564727 /nfs/dbraw/zinc/56/47/27/1022564727.db2.gz KKVBDAOTYMWRKH-MSOLQXFVSA-N 1 1 323.525 3.863 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CCc2ccccc2)nc1 ZINC000566415396 1022586980 /nfs/dbraw/zinc/58/69/80/1022586980.db2.gz DQOSCQMZJYFLSW-HXUWFJFHSA-N 1 1 305.425 3.941 20 30 DHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(F)ccc1O ZINC000180009796 1022604476 /nfs/dbraw/zinc/60/44/76/1022604476.db2.gz PLIGOSJPFFEYGM-UHFFFAOYSA-N 1 1 316.332 3.628 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(F)ccc1O ZINC000180009796 1022604479 /nfs/dbraw/zinc/60/44/79/1022604479.db2.gz PLIGOSJPFFEYGM-UHFFFAOYSA-N 1 1 316.332 3.628 20 30 DHEDMO CC(C)C[N@H+](Cc1cc(Cl)n(C)n1)Cc1ccc(C#N)cc1 ZINC000859100787 1033068494 /nfs/dbraw/zinc/06/84/94/1033068494.db2.gz IWOWGVWXEJNLCO-UHFFFAOYSA-N 1 1 316.836 3.603 20 30 DHEDMO CC(C)C[N@@H+](Cc1cc(Cl)n(C)n1)Cc1ccc(C#N)cc1 ZINC000859100787 1033068510 /nfs/dbraw/zinc/06/85/10/1033068510.db2.gz IWOWGVWXEJNLCO-UHFFFAOYSA-N 1 1 316.836 3.603 20 30 DHEDMO Cc1ccc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)nc1 ZINC000616152143 1022650254 /nfs/dbraw/zinc/65/02/54/1022650254.db2.gz WOSDDXSNIZLRCK-UHFFFAOYSA-N 1 1 309.413 3.705 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(CC(C)(C)C)CC1 ZINC001172300481 1033071419 /nfs/dbraw/zinc/07/14/19/1033071419.db2.gz WBFUKPSXKHBTGK-INIZCTEOSA-N 1 1 313.489 3.589 20 30 DHEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616772710 1022766968 /nfs/dbraw/zinc/76/69/68/1022766968.db2.gz XJNRYJRXNPIGGZ-ZWNOBZJWSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616772710 1022766985 /nfs/dbraw/zinc/76/69/85/1022766985.db2.gz XJNRYJRXNPIGGZ-ZWNOBZJWSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001172312609 1033081003 /nfs/dbraw/zinc/08/10/03/1033081003.db2.gz HQABRRFNDRUWOJ-YWZLYKJASA-N 1 1 324.399 3.702 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001172312609 1033081012 /nfs/dbraw/zinc/08/10/12/1033081012.db2.gz HQABRRFNDRUWOJ-YWZLYKJASA-N 1 1 324.399 3.702 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001172313000 1033083119 /nfs/dbraw/zinc/08/31/19/1033083119.db2.gz NKZUMXUDOJPVCS-OXQOHEQNSA-N 1 1 312.457 3.770 20 30 DHEDMO CC(C)CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000053365054 1022851533 /nfs/dbraw/zinc/85/15/33/1022851533.db2.gz CQWWIMDAHMMAFU-LBPRGKRZSA-N 1 1 307.825 3.517 20 30 DHEDMO CC#CCCCC(=O)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000767988782 1022857162 /nfs/dbraw/zinc/85/71/62/1022857162.db2.gz HPWMZMNCRNBLJO-LJQANCHMSA-N 1 1 313.441 3.635 20 30 DHEDMO C#CCCCCCC[N@H+](CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000876531845 1033085978 /nfs/dbraw/zinc/08/59/78/1033085978.db2.gz QXVICYPOMRSKJU-UHFFFAOYSA-N 1 1 311.429 3.741 20 30 DHEDMO CCOCc1cc(C[N@H+](CCC#N)CC(C)C)ccc1OC ZINC000768153992 1022903924 /nfs/dbraw/zinc/90/39/24/1022903924.db2.gz RRTKPOGAOABGOG-UHFFFAOYSA-N 1 1 304.434 3.603 20 30 DHEDMO CCOCc1cc(C[N@@H+](CCC#N)CC(C)C)ccc1OC ZINC000768153992 1022903937 /nfs/dbraw/zinc/90/39/37/1022903937.db2.gz RRTKPOGAOABGOG-UHFFFAOYSA-N 1 1 304.434 3.603 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(OC(F)F)c(F)c1 ZINC000768153472 1022904804 /nfs/dbraw/zinc/90/48/04/1022904804.db2.gz GRWCUXZWNOTSRT-UHFFFAOYSA-N 1 1 300.324 3.799 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(OC(F)F)c(F)c1 ZINC000768153472 1022904817 /nfs/dbraw/zinc/90/48/17/1022904817.db2.gz GRWCUXZWNOTSRT-UHFFFAOYSA-N 1 1 300.324 3.799 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000014915097 1022925835 /nfs/dbraw/zinc/92/58/35/1022925835.db2.gz TYZOLTWLWPLTOQ-XQQFMLRXSA-N 1 1 319.836 3.517 20 30 DHEDMO N#Cc1cccc(C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)c1 ZINC000069173841 1022927229 /nfs/dbraw/zinc/92/72/29/1022927229.db2.gz KQCHPHCCGODLPR-HXUWFJFHSA-N 1 1 317.367 3.972 20 30 DHEDMO Cc1ccc(N=NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1 ZINC000768365599 1022952485 /nfs/dbraw/zinc/95/24/85/1022952485.db2.gz WBZOTNIZHCPXMH-KDURUIRLSA-N 1 1 320.440 3.985 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)C(C)C ZINC000768550950 1022987532 /nfs/dbraw/zinc/98/75/32/1022987532.db2.gz MLIULEZWFNSIQK-UHFFFAOYSA-N 1 1 302.418 3.774 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(OCC)c(Cl)c2)no1 ZINC001212324912 1023000543 /nfs/dbraw/zinc/00/05/43/1023000543.db2.gz CAECKKRHMYLEBZ-ZDUSSCGKSA-N 1 1 319.792 3.592 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000364305152 1023001617 /nfs/dbraw/zinc/00/16/17/1023001617.db2.gz PHPJVIGUYPHOGU-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000339004478 1023003034 /nfs/dbraw/zinc/00/30/34/1023003034.db2.gz DFQNWDNPNPKTBG-UHFFFAOYSA-N 1 1 318.848 3.505 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000339004478 1023003039 /nfs/dbraw/zinc/00/30/39/1023003039.db2.gz DFQNWDNPNPKTBG-UHFFFAOYSA-N 1 1 318.848 3.505 20 30 DHEDMO N#Cc1cccc(C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)c1 ZINC000075943890 1023006647 /nfs/dbraw/zinc/00/66/47/1023006647.db2.gz BYIBCURFFGQMAQ-NRFANRHFSA-N 1 1 319.452 3.875 20 30 DHEDMO C#CCOc1ccccc1C[N@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000768873952 1023045490 /nfs/dbraw/zinc/04/54/90/1023045490.db2.gz WGQIEPIKHGMJQZ-INIZCTEOSA-N 1 1 309.409 3.987 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(O[C@H](C)C#N)cc2)on1 ZINC000768879946 1023047158 /nfs/dbraw/zinc/04/71/58/1023047158.db2.gz ZXXYTKSSBWMUTR-PBHICJAKSA-N 1 1 311.385 3.611 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc2c(ccnc2C#N)c1 ZINC001167754607 1023049658 /nfs/dbraw/zinc/04/96/58/1023049658.db2.gz SYZOUTSEGCHBRR-HNNXBMFYSA-N 1 1 308.429 3.783 20 30 DHEDMO CC[N@H+](Cc1cc(OC)cnc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000876597610 1033101750 /nfs/dbraw/zinc/10/17/50/1033101750.db2.gz FHADYZYMNIZOJS-ZDUSSCGKSA-N 1 1 313.376 3.684 20 30 DHEDMO CC[N@@H+](Cc1cc(OC)cnc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000876597610 1033101756 /nfs/dbraw/zinc/10/17/56/1033101756.db2.gz FHADYZYMNIZOJS-ZDUSSCGKSA-N 1 1 313.376 3.684 20 30 DHEDMO C[C@H](NCC(C)(C)[NH+]1CCCCC1)c1ccc(OCC#N)cc1 ZINC000181395550 1023081042 /nfs/dbraw/zinc/08/10/42/1023081042.db2.gz UFZROAAGBKKGGB-INIZCTEOSA-N 1 1 315.461 3.504 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000769107637 1023085082 /nfs/dbraw/zinc/08/50/82/1023085082.db2.gz YUEKXZXQXRNQJS-HXUWFJFHSA-N 1 1 307.393 3.741 20 30 DHEDMO C#CC[N@@H+](Cc1cnc(-c2ccccn2)s1)C1CCCCC1 ZINC000769145091 1023089827 /nfs/dbraw/zinc/08/98/27/1023089827.db2.gz BADYISBPJVVQOD-UHFFFAOYSA-N 1 1 311.454 3.973 20 30 DHEDMO CCCCCCCOc1cccc(C[N@H+]2CC[C@H](CO)C2)c1 ZINC000769246288 1023107800 /nfs/dbraw/zinc/10/78/00/1023107800.db2.gz ZGMWNDLPRJUXNX-SFHVURJKSA-N 1 1 305.462 3.850 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2nccc(C#N)c2Cl)C1 ZINC000341523704 1023109268 /nfs/dbraw/zinc/10/92/68/1023109268.db2.gz IIVGKHMOHQQPHQ-OKILXGFUSA-N 1 1 320.868 3.777 20 30 DHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)CCO2 ZINC001172377328 1033111438 /nfs/dbraw/zinc/11/14/38/1033111438.db2.gz LZLOUTZKWGHVIY-LCWAXJCOSA-N 1 1 321.505 3.885 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000769485277 1023152651 /nfs/dbraw/zinc/15/26/51/1023152651.db2.gz MLJNYVRTAXAIIY-GFCCVEGCSA-N 1 1 310.319 3.672 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000769485277 1023152653 /nfs/dbraw/zinc/15/26/53/1023152653.db2.gz MLJNYVRTAXAIIY-GFCCVEGCSA-N 1 1 310.319 3.672 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000829810627 1023166448 /nfs/dbraw/zinc/16/64/48/1023166448.db2.gz SDKLWHOXQDEVMN-ZDUSSCGKSA-N 1 1 300.427 3.540 20 30 DHEDMO CCc1ccc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)cc1 ZINC000769499985 1023166991 /nfs/dbraw/zinc/16/69/91/1023166991.db2.gz YUYYAOZCMXGELL-UHFFFAOYSA-N 1 1 311.454 3.504 20 30 DHEDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000769731285 1023195868 /nfs/dbraw/zinc/19/58/68/1023195868.db2.gz WJYLOSOJRGRZKL-HNNXBMFYSA-N 1 1 323.481 3.553 20 30 DHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172378925 1033115098 /nfs/dbraw/zinc/11/50/98/1033115098.db2.gz QIBLUGUJVACGKY-IEWDOMPSSA-N 1 1 307.478 3.637 20 30 DHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(C#N)s3)c2C1 ZINC000487342301 1023244990 /nfs/dbraw/zinc/24/49/90/1023244990.db2.gz YAWSXQJMDKRSQQ-UHFFFAOYSA-N 1 1 311.410 3.598 20 30 DHEDMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(C#N)s3)c2C1 ZINC000487342301 1023245000 /nfs/dbraw/zinc/24/50/00/1023245000.db2.gz YAWSXQJMDKRSQQ-UHFFFAOYSA-N 1 1 311.410 3.598 20 30 DHEDMO C=CC[C@@H]1[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1(C)C ZINC000769953455 1023245291 /nfs/dbraw/zinc/24/52/91/1023245291.db2.gz NBCIVZJCJCIIET-IRXDYDNUSA-N 1 1 318.417 3.695 20 30 DHEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1OC(F)F ZINC000769976173 1023254762 /nfs/dbraw/zinc/25/47/62/1023254762.db2.gz UYKOUHAZBQCDOC-SECBINFHSA-N 1 1 318.161 3.504 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1OC(F)F ZINC000769976173 1023254770 /nfs/dbraw/zinc/25/47/70/1023254770.db2.gz UYKOUHAZBQCDOC-SECBINFHSA-N 1 1 318.161 3.504 20 30 DHEDMO C=CC[N@@H+](CCC#N)CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000292218091 1023287068 /nfs/dbraw/zinc/28/70/68/1023287068.db2.gz OWPFYKUDYDIRQL-UHFFFAOYSA-N 1 1 313.445 3.732 20 30 DHEDMO C=CC[N@H+](CCC#N)CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000292218091 1023287076 /nfs/dbraw/zinc/28/70/76/1023287076.db2.gz OWPFYKUDYDIRQL-UHFFFAOYSA-N 1 1 313.445 3.732 20 30 DHEDMO CCc1ccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)s1 ZINC000770393526 1023304783 /nfs/dbraw/zinc/30/47/83/1023304783.db2.gz YUQBZFMYQVCVDF-SFHVURJKSA-N 1 1 312.438 3.756 20 30 DHEDMO CCc1ccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)s1 ZINC000770393526 1023304787 /nfs/dbraw/zinc/30/47/87/1023304787.db2.gz YUQBZFMYQVCVDF-SFHVURJKSA-N 1 1 312.438 3.756 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2snc(Cl)c2C#N)C1 ZINC000771102302 1023398024 /nfs/dbraw/zinc/39/80/24/1023398024.db2.gz XTSVUYMPUREZHH-GRYCIOLGSA-N 1 1 324.881 3.510 20 30 DHEDMO C=CC[C@H]1CC[C@H](Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000651656605 1023423879 /nfs/dbraw/zinc/42/38/79/1023423879.db2.gz JNEDDIQZUYYYBF-LPHOPBHVSA-N 1 1 300.446 3.676 20 30 DHEDMO C=CC[C@H]1CC[C@@H](Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000651658770 1023427302 /nfs/dbraw/zinc/42/73/02/1023427302.db2.gz HTNKXUFFHUHUQO-QFBILLFUSA-N 1 1 300.446 3.676 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876750310 1033135895 /nfs/dbraw/zinc/13/58/95/1033135895.db2.gz PLIWRVDKZBKVEC-UHFFFAOYSA-N 1 1 316.489 3.826 20 30 DHEDMO CC[C@@H](C)[N@@H+](CC)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000661108255 1023484747 /nfs/dbraw/zinc/48/47/47/1023484747.db2.gz XVAOMVCFTIPQDN-OAHLLOKOSA-N 1 1 311.429 3.858 20 30 DHEDMO CC[C@H](C)[N@@H+](CC)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000661108254 1023485045 /nfs/dbraw/zinc/48/50/45/1023485045.db2.gz XVAOMVCFTIPQDN-HNNXBMFYSA-N 1 1 311.429 3.858 20 30 DHEDMO CCCCCCC[C@@H](CC)N1CC[NH+](C2CCOCC2)CC1 ZINC001172355424 1033137475 /nfs/dbraw/zinc/13/74/75/1033137475.db2.gz OGWGAGFOBRTHKF-GOSISDBHSA-N 1 1 310.526 3.922 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc3sc(C)c(C)c3c(N)n2)C1 ZINC000661381970 1023583377 /nfs/dbraw/zinc/58/33/77/1023583377.db2.gz RCLSNVLFKZHHGV-CYBMUJFWSA-N 1 1 316.474 3.678 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCO[C@](C)(CC)C2)c1O ZINC000785511842 1023586216 /nfs/dbraw/zinc/58/62/16/1023586216.db2.gz JILQHAPSPRMVFW-LJQANCHMSA-N 1 1 319.445 3.520 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000876796015 1033144762 /nfs/dbraw/zinc/14/47/62/1033144762.db2.gz WSNCLJGRHAZBGI-FHERZECASA-N 1 1 323.481 3.694 20 30 DHEDMO C=CCCCCC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000785714034 1023612459 /nfs/dbraw/zinc/61/24/59/1023612459.db2.gz VABKCHWFISEULT-RBUKOAKNSA-N 1 1 303.446 3.557 20 30 DHEDMO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)C1 ZINC000595095608 1023626732 /nfs/dbraw/zinc/62/67/32/1023626732.db2.gz RMVWVCBDIWFMDK-AABGKKOBSA-N 1 1 323.484 3.571 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000278846286 1023637235 /nfs/dbraw/zinc/63/72/35/1023637235.db2.gz RDYJSOPANLUSRH-UHFFFAOYSA-N 1 1 317.314 3.751 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000785998690 1023650776 /nfs/dbraw/zinc/65/07/76/1023650776.db2.gz KNKIICRHVRHJHZ-OAHLLOKOSA-N 1 1 313.397 3.521 20 30 DHEDMO C=C(C)COc1cc(C[N@H+](CC)[C@H]2CCCOC2)ccc1OC ZINC000651948688 1023671326 /nfs/dbraw/zinc/67/13/26/1023671326.db2.gz SNZMXRNUWZPFBV-KRWDZBQOSA-N 1 1 319.445 3.651 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000786444156 1023692686 /nfs/dbraw/zinc/69/26/86/1023692686.db2.gz JQKNSGIRSKESOY-UHFFFAOYSA-N 1 1 315.461 3.513 20 30 DHEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000786447158 1023696363 /nfs/dbraw/zinc/69/63/63/1023696363.db2.gz UAGHSCAECJNHNH-INIZCTEOSA-N 1 1 315.461 3.512 20 30 DHEDMO C=CCOc1cccc(CN(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000538735183 1033156348 /nfs/dbraw/zinc/15/63/48/1033156348.db2.gz GCALVSDDGWUWKK-GOSISDBHSA-N 1 1 302.462 3.558 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1C ZINC000093503382 1023761511 /nfs/dbraw/zinc/76/15/11/1023761511.db2.gz FGYDPJKTNCYWLI-IYBDPMFKSA-N 1 1 308.429 3.552 20 30 DHEDMO C#CC(C)(C)[N@H+](C)CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000787997383 1023836970 /nfs/dbraw/zinc/83/69/70/1023836970.db2.gz MBWDXECAYQJCHY-UHFFFAOYSA-N 1 1 320.436 3.563 20 30 DHEDMO C#CC(C)(C)[N@@H+](C)CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000787997383 1023836975 /nfs/dbraw/zinc/83/69/75/1023836975.db2.gz MBWDXECAYQJCHY-UHFFFAOYSA-N 1 1 320.436 3.563 20 30 DHEDMO C#CCC1(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCCCC1 ZINC000788160902 1023859574 /nfs/dbraw/zinc/85/95/74/1023859574.db2.gz MLSPMNKSCCOTDU-GOSISDBHSA-N 1 1 318.505 3.731 20 30 DHEDMO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1[C@H](C)CCCC(C)C ZINC001170083264 1023864445 /nfs/dbraw/zinc/86/44/45/1023864445.db2.gz OGOSLRHQZRRPNW-SJLPKXTDSA-N 1 1 319.493 3.737 20 30 DHEDMO C#CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCCCC1 ZINC000788234197 1023867939 /nfs/dbraw/zinc/86/79/39/1023867939.db2.gz FNGICEFAGTZMJB-RTBURBONSA-N 1 1 324.468 3.522 20 30 DHEDMO CCC#C[C@@H](C)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC001170085310 1023886821 /nfs/dbraw/zinc/88/68/21/1023886821.db2.gz GYEDJHDLVWDJTL-NVXWUHKLSA-N 1 1 304.503 3.612 20 30 DHEDMO CCC#C[C@@H](C)[N@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC001170085310 1023886851 /nfs/dbraw/zinc/88/68/51/1023886851.db2.gz GYEDJHDLVWDJTL-NVXWUHKLSA-N 1 1 304.503 3.612 20 30 DHEDMO CCC#C[C@@H](C)[N@@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC001170085310 1023886858 /nfs/dbraw/zinc/88/68/58/1023886858.db2.gz GYEDJHDLVWDJTL-NVXWUHKLSA-N 1 1 304.503 3.612 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000662081668 1023887316 /nfs/dbraw/zinc/88/73/16/1023887316.db2.gz XGENMORAYNKFHQ-MELADBBJSA-N 1 1 304.821 3.850 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000662081668 1023887319 /nfs/dbraw/zinc/88/73/19/1023887319.db2.gz XGENMORAYNKFHQ-MELADBBJSA-N 1 1 304.821 3.850 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OCC(F)(F)F)nc1 ZINC000662085394 1023892416 /nfs/dbraw/zinc/89/24/16/1023892416.db2.gz GSOVHTYPJXXLNE-OKILXGFUSA-N 1 1 312.335 3.706 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662098668 1023903539 /nfs/dbraw/zinc/90/35/39/1023903539.db2.gz HTQXFWIEENIFNR-CABCVRRESA-N 1 1 310.235 3.523 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662098668 1023903545 /nfs/dbraw/zinc/90/35/45/1023903545.db2.gz HTQXFWIEENIFNR-CABCVRRESA-N 1 1 310.235 3.523 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc2c[nH]nc21 ZINC000093872271 1023941187 /nfs/dbraw/zinc/94/11/87/1023941187.db2.gz SOXPRPDGZWLZNY-RTBURBONSA-N 1 1 316.408 3.835 20 30 DHEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000093871004 1023943723 /nfs/dbraw/zinc/94/37/23/1023943723.db2.gz VVGRUUDZAJMHPU-MRXNPFEDSA-N 1 1 319.518 4.000 20 30 DHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H](CC)CC(C)C)C2 ZINC001172394958 1033179301 /nfs/dbraw/zinc/17/93/01/1033179301.db2.gz AMENKYAAIAFXGT-PKOBYXMFSA-N 1 1 306.494 3.844 20 30 DHEDMO CCC[N@H+](CC(=O)Nc1ccccc1SCC#N)CC(C)C ZINC000266641308 1024041102 /nfs/dbraw/zinc/04/11/02/1024041102.db2.gz AYRAEFBEXSZGRN-UHFFFAOYSA-N 1 1 319.474 3.609 20 30 DHEDMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000266906859 1024046752 /nfs/dbraw/zinc/04/67/52/1024046752.db2.gz JWAZWYIISUYLSJ-OAHLLOKOSA-N 1 1 311.429 3.714 20 30 DHEDMO CCCCCCCC[N@@H+](C)C1CCN(c2cnccn2)CC1 ZINC000789365873 1024062096 /nfs/dbraw/zinc/06/20/96/1024062096.db2.gz KOCYSMMNZAAXIM-UHFFFAOYSA-N 1 1 304.482 3.738 20 30 DHEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+]([C@H](CC)CC(C)C)CC2 ZINC001172397292 1033181870 /nfs/dbraw/zinc/18/18/70/1033181870.db2.gz KWWVXVKULYLXSN-IEBWSBKVSA-N 1 1 306.494 3.844 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000268633907 1024134830 /nfs/dbraw/zinc/13/48/30/1024134830.db2.gz LARKJLINJFTOLU-HIFRSBDPSA-N 1 1 302.443 3.760 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000268633912 1024135662 /nfs/dbraw/zinc/13/56/62/1024135662.db2.gz LARKJLINJFTOLU-ZFWWWQNUSA-N 1 1 302.443 3.760 20 30 DHEDMO CC[C@H](C)[C@H]([NH2+][C@@H](C)CCCC#N)C(=O)OCc1ccccc1 ZINC001172478484 1033192116 /nfs/dbraw/zinc/19/21/16/1033192116.db2.gz FIMITTHVZFFNCX-BQFCYCMXSA-N 1 1 316.445 3.816 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H]2[C@@H](C)CCC)c1=S ZINC000130759661 1024212417 /nfs/dbraw/zinc/21/24/17/1024212417.db2.gz HLBIOGAFEWHGIC-DZGCQCFKSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H]2[C@@H](C)CCC)c1=S ZINC000130759661 1024212428 /nfs/dbraw/zinc/21/24/28/1024212428.db2.gz HLBIOGAFEWHGIC-DZGCQCFKSA-N 1 1 308.495 3.767 20 30 DHEDMO Cc1cccnc1N=NC1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000790187032 1024240173 /nfs/dbraw/zinc/24/01/73/1024240173.db2.gz SLRLMCUVTZBMGJ-HNNXBMFYSA-N 1 1 308.429 3.700 20 30 DHEDMO N#Cc1ccccc1C[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000531634801 1024249247 /nfs/dbraw/zinc/24/92/47/1024249247.db2.gz KGXSKNKEPPCKDH-UHFFFAOYSA-N 1 1 320.436 3.866 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000531658526 1024258880 /nfs/dbraw/zinc/25/88/80/1024258880.db2.gz DLQUIEMMXSXQOB-LJQANCHMSA-N 1 1 307.397 3.559 20 30 DHEDMO CC[C@@H]1CCC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)CC1 ZINC000131210548 1024284200 /nfs/dbraw/zinc/28/42/00/1024284200.db2.gz PMRAZFNDGLHTNW-MRXNPFEDSA-N 1 1 323.444 3.595 20 30 DHEDMO C=CCCCCC[N@H+](C)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131385270 1024345584 /nfs/dbraw/zinc/34/55/84/1024345584.db2.gz YFUMXWAZTPHPAP-UHFFFAOYSA-N 1 1 323.444 3.761 20 30 DHEDMO CC[C@@H]([NH2+][C@@H](C)c1nnc([C@@H](C)CC)[nH]1)c1ccc(C#N)cc1 ZINC000278895090 1024363045 /nfs/dbraw/zinc/36/30/45/1024363045.db2.gz YWURIWQIOUBYHW-HEHGZKQESA-N 1 1 311.433 3.992 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1(c2ncccn2)CCC1 ZINC000883312218 1024363936 /nfs/dbraw/zinc/36/39/36/1024363936.db2.gz XEMKODPSPUZPEC-SFHVURJKSA-N 1 1 318.424 3.785 20 30 DHEDMO CC[N@@H+](Cc1cc(OC)cc(C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000270356600 1024381774 /nfs/dbraw/zinc/38/17/74/1024381774.db2.gz XEMAOVOQAPRSJK-OAHLLOKOSA-N 1 1 309.413 3.853 20 30 DHEDMO C#CC[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000791139820 1024449496 /nfs/dbraw/zinc/44/94/96/1024449496.db2.gz PJFXDIXYDZHOBG-IBGZPJMESA-N 1 1 312.457 3.522 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000584695204 1024464802 /nfs/dbraw/zinc/46/48/02/1024464802.db2.gz SZYFPJGGTHWDJG-MSOLQXFVSA-N 1 1 306.413 3.716 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCCC[C@H]1CCO ZINC000585754262 1024589688 /nfs/dbraw/zinc/58/96/88/1024589688.db2.gz BVRYCAKHNCOVSD-KRWDZBQOSA-N 1 1 300.446 3.615 20 30 DHEDMO C[N@H+](CCOc1ccccc1Cl)Cc1cc(C#N)ccc1F ZINC000585766501 1024604880 /nfs/dbraw/zinc/60/48/80/1024604880.db2.gz KTEIYAXDKNHZQP-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[N@@H+](CCOc1ccccc1Cl)Cc1cc(C#N)ccc1F ZINC000585766501 1024604887 /nfs/dbraw/zinc/60/48/87/1024604887.db2.gz KTEIYAXDKNHZQP-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO CCCC#CC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C[C@H](CC)CCCC ZINC001274655558 1024613728 /nfs/dbraw/zinc/61/37/28/1024613728.db2.gz SKXCBPVXWYSHEB-QYZOEREBSA-N 1 1 318.505 3.682 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001172494777 1033224930 /nfs/dbraw/zinc/22/49/30/1033224930.db2.gz XXQVOWZEWKEORU-JKSUJKDBSA-N 1 1 323.481 3.648 20 30 DHEDMO CC[C@H](C(=O)[C@@H](C#N)c1nccc2ccccc21)[NH+](CC)CC ZINC000792104775 1024624968 /nfs/dbraw/zinc/62/49/68/1024624968.db2.gz YINCMEFVCSWKJP-DLBZAZTESA-N 1 1 309.413 3.531 20 30 DHEDMO CC(C)C[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001168145441 1024625487 /nfs/dbraw/zinc/62/54/87/1024625487.db2.gz NCGMFSIJQAWFOD-CQSZACIVSA-N 1 1 301.390 3.725 20 30 DHEDMO CC(C)C[C@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001168145441 1024625500 /nfs/dbraw/zinc/62/55/00/1024625500.db2.gz NCGMFSIJQAWFOD-CQSZACIVSA-N 1 1 301.390 3.725 20 30 DHEDMO CC[C@H](C(=O)[C@H](C#N)c1nccc2ccccc21)[NH+](CC)CC ZINC000792104777 1024626458 /nfs/dbraw/zinc/62/64/58/1024626458.db2.gz YINCMEFVCSWKJP-IAGOWNOFSA-N 1 1 309.413 3.531 20 30 DHEDMO CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1[C@H](C)CCCC#N ZINC001172496773 1033225816 /nfs/dbraw/zinc/22/58/16/1033225816.db2.gz QLJOHBNGIWEDKM-CVEARBPZSA-N 1 1 323.481 3.646 20 30 DHEDMO COCC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@H]1CC[C@@H](C)C1 ZINC000792193419 1024646594 /nfs/dbraw/zinc/64/65/94/1024646594.db2.gz VHLBLRSPDRCUNB-NUJGCVRESA-N 1 1 316.445 3.614 20 30 DHEDMO C[C@H](CCCC#N)[NH+]1CCC(N)(c2ccc(Cl)cc2)CC1 ZINC001172494332 1033226947 /nfs/dbraw/zinc/22/69/47/1033226947.db2.gz YYEMLBHHAHDFNM-CQSZACIVSA-N 1 1 305.853 3.672 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001172496370 1033226988 /nfs/dbraw/zinc/22/69/88/1033226988.db2.gz ZTTOZILQVNQTGT-SCTDSRPQSA-N 1 1 313.445 3.645 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)c(C#N)c1C ZINC000475745346 1024698171 /nfs/dbraw/zinc/69/81/71/1024698171.db2.gz VDOCCRUNNCTRAR-WZRBSPASSA-N 1 1 319.474 3.542 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001172499883 1033230480 /nfs/dbraw/zinc/23/04/80/1033230480.db2.gz GISLDXYFPCTEND-HZPDHXFCSA-N 1 1 323.481 3.648 20 30 DHEDMO COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H](C)CCCC#N ZINC001172502786 1033231541 /nfs/dbraw/zinc/23/15/41/1033231541.db2.gz WTQIQUXZKQBTHD-CVEARBPZSA-N 1 1 304.434 3.614 20 30 DHEDMO CCCCCCCC[C@H](CC)n1cncc1C[C@H]([NH3+])C(=O)OC ZINC001172506383 1033234029 /nfs/dbraw/zinc/23/40/29/1033234029.db2.gz SKORQNBBCSRSMS-RDJZCZTQSA-N 1 1 323.481 3.628 20 30 DHEDMO CCCCCCCC[C@H](CC)[NH2+]CCCN1CCN(C)CC1 ZINC001172503532 1033232744 /nfs/dbraw/zinc/23/27/44/1033232744.db2.gz GFIUYKUWIQUZGZ-IBGZPJMESA-N 1 1 311.558 3.743 20 30 DHEDMO C#C[C@@H](CC)[NH2+][C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000792640745 1024755457 /nfs/dbraw/zinc/75/54/57/1024755457.db2.gz DOCIRSQMDKBRLZ-PKOBYXMFSA-N 1 1 306.409 3.676 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC001170396404 1024763317 /nfs/dbraw/zinc/76/33/17/1024763317.db2.gz ZOFONMRPCPTUCY-OTBHMBEGSA-N 1 1 310.441 3.501 20 30 DHEDMO CC(=O)[C@H]1CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170396383 1024764311 /nfs/dbraw/zinc/76/43/11/1024764311.db2.gz ZKIGQARCMBBSPU-KKXNLOMOSA-N 1 1 310.441 3.692 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2[C@@H](C)CCCC#N)cc1OC ZINC001172507226 1033234521 /nfs/dbraw/zinc/23/45/21/1033234521.db2.gz QUJXQODEMZXUKY-GOEBONIOSA-N 1 1 302.418 3.923 20 30 DHEDMO C#CCOc1ccc(C[NH2+][C@@H](C)c2csc(CC)n2)cc1 ZINC000113341695 1024797901 /nfs/dbraw/zinc/79/79/01/1024797901.db2.gz JOIQHAJCOMHJNB-ZDUSSCGKSA-N 1 1 300.427 3.568 20 30 DHEDMO COc1cccc(O[C@@H]2CCC[N@H+]([C@H](C)CCCC#N)C2)c1 ZINC001172507146 1033234920 /nfs/dbraw/zinc/23/49/20/1033234920.db2.gz QBIOHIPCNHBCMX-CRAIPNDOSA-N 1 1 302.418 3.621 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792905709 1024830116 /nfs/dbraw/zinc/83/01/16/1024830116.db2.gz QYWQUKMSLWOYII-CABCVRRESA-N 1 1 309.240 3.882 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1ccccc1SC ZINC000348304395 1024848913 /nfs/dbraw/zinc/84/89/13/1024848913.db2.gz HJSSDTDTQXFPNK-UHFFFAOYSA-N 1 1 312.438 3.921 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccccc1SC ZINC000348304395 1024848929 /nfs/dbraw/zinc/84/89/29/1024848929.db2.gz HJSSDTDTQXFPNK-UHFFFAOYSA-N 1 1 312.438 3.921 20 30 DHEDMO CCCCCCC[C@H](C)C(=O)N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001274928797 1024880722 /nfs/dbraw/zinc/88/07/22/1024880722.db2.gz RCTVQBSIOUSZSJ-OKZBNKHCSA-N 1 1 308.510 3.783 20 30 DHEDMO COc1ccc(N=NC2CCC[N@@H+](C)CC2)c(C(F)(F)F)c1 ZINC000793099540 1024896515 /nfs/dbraw/zinc/89/65/15/1024896515.db2.gz SWWXUAFIBLRKOG-UHFFFAOYSA-N 1 1 315.339 3.598 20 30 DHEDMO C=C(C)CN1c2ccccc2[C@@]2(CC[N@H+](C[C@H](C)CC)C2)C1=O ZINC001275070261 1024902658 /nfs/dbraw/zinc/90/26/58/1024902658.db2.gz XQEUWSYHSJSODK-UZLBHIALSA-N 1 1 312.457 3.599 20 30 DHEDMO CC1(C)CCCN(c2cc[nH+]c(NCC#Cc3ccccc3)n2)C1 ZINC001170426301 1024903698 /nfs/dbraw/zinc/90/36/98/1024903698.db2.gz QISOYLVHLVWURI-UHFFFAOYSA-N 1 1 320.440 3.567 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@H](CC)CCCC ZINC001275082297 1024905612 /nfs/dbraw/zinc/90/56/12/1024905612.db2.gz MJQYHISQCNMGMM-MJGOQNOKSA-N 1 1 306.494 3.846 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CC[N@H+](C[C@@H](CC)CCCC)C2)C1=O ZINC001275081220 1024906558 /nfs/dbraw/zinc/90/65/58/1024906558.db2.gz FGZUUCZMWQRRRM-PKOBYXMFSA-N 1 1 306.494 3.703 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+]2C[C@H](CC)CCCC)C1=O ZINC001275082972 1024907250 /nfs/dbraw/zinc/90/72/50/1024907250.db2.gz SIIDCQUHLCEGMR-IEBWSBKVSA-N 1 1 306.494 3.846 20 30 DHEDMO CCCC[C@H](CC)C[N@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001275081006 1024907364 /nfs/dbraw/zinc/90/73/64/1024907364.db2.gz DPODHWHIRNMXPN-HKUYNNGSSA-N 1 1 319.493 3.573 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@]2(CC(=O)N([C@@H](C)CC)C2=O)C1 ZINC001275112014 1024915907 /nfs/dbraw/zinc/91/59/07/1024915907.db2.gz WHRUWBYTGOLRTE-LPHOPBHVSA-N 1 1 322.493 3.596 20 30 DHEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCCCCC ZINC001275114482 1024921922 /nfs/dbraw/zinc/92/19/22/1024921922.db2.gz NVVIRVSFJHQBGA-LJQANCHMSA-N 1 1 306.494 3.990 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2ccc3c(c2)NC(=O)CO3)CCCC1(C)C ZINC000353241638 1024995006 /nfs/dbraw/zinc/99/50/06/1024995006.db2.gz ZVRDHUGLARCDDT-QGZVFWFLSA-N 1 1 314.429 3.584 20 30 DHEDMO COc1cc(C[NH2+]Cc2ccc(Cl)cc2F)ccc1C#N ZINC000353249251 1025000031 /nfs/dbraw/zinc/00/00/31/1025000031.db2.gz MVFSFOSCDYLPCN-UHFFFAOYSA-N 1 1 304.752 3.649 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2c(C)oc3ccccc32)n1 ZINC000279442840 1025035478 /nfs/dbraw/zinc/03/54/78/1025035478.db2.gz RPFGWGILFNERSF-UHFFFAOYSA-N 1 1 307.397 3.593 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)Cc2c(C)oc3ccccc32)n1 ZINC000279442840 1025035543 /nfs/dbraw/zinc/03/55/43/1025035543.db2.gz RPFGWGILFNERSF-UHFFFAOYSA-N 1 1 307.397 3.593 20 30 DHEDMO C=CCc1cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c(O)c(OC)c1 ZINC000793535362 1025082153 /nfs/dbraw/zinc/08/21/53/1025082153.db2.gz WFVLAILIYWFBBS-DOTOQJQBSA-N 1 1 323.383 3.606 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)cc1C#N ZINC000135092818 1033259955 /nfs/dbraw/zinc/25/99/55/1033259955.db2.gz RYGHNFQRYCOSRN-MRXNPFEDSA-N 1 1 322.408 3.565 20 30 DHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)o2)C12CCCCC2 ZINC000353668688 1025192625 /nfs/dbraw/zinc/19/26/25/1025192625.db2.gz ZHYKQBUCOYWHOR-IAGOWNOFSA-N 1 1 302.418 3.711 20 30 DHEDMO Cc1nc2c(s1)[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)CCC2 ZINC000877183199 1033266251 /nfs/dbraw/zinc/26/62/51/1033266251.db2.gz ZWAKPCURAYQBFX-GFCCVEGCSA-N 1 1 318.833 3.539 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@H](C)C[C@@H]2C)cc1OCCCC#N ZINC000353742851 1025221921 /nfs/dbraw/zinc/22/19/21/1025221921.db2.gz BDRAPHZNNYDGCJ-CABCVRRESA-N 1 1 302.418 3.608 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@H](C)C[C@H]2C)cc1OCCCC#N ZINC000353742893 1025222456 /nfs/dbraw/zinc/22/24/56/1025222456.db2.gz BDRAPHZNNYDGCJ-HUUCEWRRSA-N 1 1 302.418 3.608 20 30 DHEDMO N#Cc1ccc(C[N@@H+](CCCCCn2cccn2)C2CC2)cc1 ZINC000170914142 1025239831 /nfs/dbraw/zinc/23/98/31/1025239831.db2.gz XLNIAVAZXCQRME-UHFFFAOYSA-N 1 1 308.429 3.590 20 30 DHEDMO C[C@H]1CN(c2ccccc2F)CC[N@H+]1CCCC(C)(C)C#N ZINC000191622976 1025244771 /nfs/dbraw/zinc/24/47/71/1025244771.db2.gz CPDBYNSRYPULCA-HNNXBMFYSA-N 1 1 303.425 3.666 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCS[C@H](C)[C@H]2C)cc1OC ZINC000353854341 1025268684 /nfs/dbraw/zinc/26/86/84/1025268684.db2.gz JGFPTXXBWQEIDH-ZIAGYGMSSA-N 1 1 307.459 3.586 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCS[C@@H](CC)C2)cc1OC ZINC000353884824 1025280167 /nfs/dbraw/zinc/28/01/67/1025280167.db2.gz YCDAOWHAFUXETP-HNNXBMFYSA-N 1 1 307.459 3.587 20 30 DHEDMO CCc1oc2ccccc2c1C[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610995337 1025280969 /nfs/dbraw/zinc/28/09/69/1025280969.db2.gz TUUGKQQPNNMRDS-UHFFFAOYSA-N 1 1 305.381 3.894 20 30 DHEDMO CCc1nc(NCc2cccc(O[C@H](C#N)CC)c2)cc(C)[nH+]1 ZINC000804459053 1025300134 /nfs/dbraw/zinc/30/01/34/1025300134.db2.gz QLJBUCWSVYJDFT-HNNXBMFYSA-N 1 1 310.401 3.641 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@]1(CO)CC(C)C ZINC001307736833 1025327973 /nfs/dbraw/zinc/32/79/73/1025327973.db2.gz LAIGQNXMUWDFDT-LJQANCHMSA-N 1 1 300.446 3.548 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000053221272 1025341062 /nfs/dbraw/zinc/34/10/62/1025341062.db2.gz BXRMJLBNLNOBCW-HXUWFJFHSA-N 1 1 306.409 3.739 20 30 DHEDMO N#Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000053227797 1025343016 /nfs/dbraw/zinc/34/30/16/1025343016.db2.gz XCCUHACUHHSCBN-FQEVSTJZSA-N 1 1 306.409 3.739 20 30 DHEDMO N#Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000053227797 1025343033 /nfs/dbraw/zinc/34/30/33/1025343033.db2.gz XCCUHACUHHSCBN-FQEVSTJZSA-N 1 1 306.409 3.739 20 30 DHEDMO C=CCCCCCCNc1ncnc2c1cnn2-c1cc[nH+]cc1 ZINC000804600596 1025382444 /nfs/dbraw/zinc/38/24/44/1025382444.db2.gz LBNUCYOVQZSCEA-UHFFFAOYSA-N 1 1 322.416 3.759 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2CCc2ccccc2)CCC1 ZINC000885959321 1025419903 /nfs/dbraw/zinc/41/99/03/1025419903.db2.gz YGXPIHPWZCXZPE-MOPGFXCFSA-N 1 1 312.457 3.528 20 30 DHEDMO CC[N@@H+](CCc1cccc(OC(F)(F)F)c1)C[C@@H](C)C#N ZINC000157750389 1025423718 /nfs/dbraw/zinc/42/37/18/1025423718.db2.gz UPHBHNZAXOOVMU-LBPRGKRZSA-N 1 1 300.324 3.609 20 30 DHEDMO C=CCCCCC[N@H+]1CC[C@@]2(CCN(C3CCCC3)C2=O)C1 ZINC001275325372 1025427946 /nfs/dbraw/zinc/42/79/46/1025427946.db2.gz MZJXLOHGWYFOEF-LJQANCHMSA-N 1 1 304.478 3.600 20 30 DHEDMO C=CCCCCC[N@@H+]1CCCC[C@@]12CC(=O)N(CCCC)C2 ZINC001275324885 1025432358 /nfs/dbraw/zinc/43/23/58/1025432358.db2.gz JJDVWRXAYWDATM-IBGZPJMESA-N 1 1 306.494 3.990 20 30 DHEDMO C=CCCCCCC[N@H+]1CCCC[C@@]12CC(=O)N(CC=C)C2 ZINC001275329043 1025438406 /nfs/dbraw/zinc/43/84/06/1025438406.db2.gz KQFBMYXOHXPKIN-IBGZPJMESA-N 1 1 304.478 3.766 20 30 DHEDMO Cc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)CC2(C#N)CCC2)o1 ZINC000886017054 1025441336 /nfs/dbraw/zinc/44/13/36/1025441336.db2.gz RCTUJZLGGIZEJI-DLBZAZTESA-N 1 1 316.445 3.950 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000354510185 1025447094 /nfs/dbraw/zinc/44/70/94/1025447094.db2.gz YITWAMUCHKWLRF-DAYGRLMNSA-N 1 1 315.436 3.535 20 30 DHEDMO CC(C)(C)[N@H+](Cc1ccccc1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886040908 1025448067 /nfs/dbraw/zinc/44/80/67/1025448067.db2.gz HAYJPHFUOBFJNO-KRWDZBQOSA-N 1 1 300.446 3.732 20 30 DHEDMO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001173088858 1033518142 /nfs/dbraw/zinc/51/81/42/1033518142.db2.gz RLTOPICDDZMCDL-OCCSQVGLSA-N 1 1 312.335 3.752 20 30 DHEDMO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H](C#N)C1 ZINC001173088858 1033518156 /nfs/dbraw/zinc/51/81/56/1033518156.db2.gz RLTOPICDDZMCDL-OCCSQVGLSA-N 1 1 312.335 3.752 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CCC1 ZINC000886201593 1025558681 /nfs/dbraw/zinc/55/86/81/1025558681.db2.gz JQKZFODVRVKMRV-NMLBUPMWSA-N 1 1 324.468 3.699 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886220805 1025563251 /nfs/dbraw/zinc/56/32/51/1025563251.db2.gz NDXILXDZVQIACD-FPAYPSAMSA-N 1 1 312.457 3.698 20 30 DHEDMO Cc1cc([C@@H]2C[N@H+](CCCC(C)(C)C#N)CCO2)ccc1F ZINC000128458641 1025581186 /nfs/dbraw/zinc/58/11/86/1025581186.db2.gz CIBGCCXLOKAOPF-KRWDZBQOSA-N 1 1 304.409 3.837 20 30 DHEDMO Cc1cc([C@@H]2C[N@@H+](CCCC(C)(C)C#N)CCO2)ccc1F ZINC000128458641 1025581197 /nfs/dbraw/zinc/58/11/97/1025581197.db2.gz CIBGCCXLOKAOPF-KRWDZBQOSA-N 1 1 304.409 3.837 20 30 DHEDMO CCN(Cc1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355028858 1025582958 /nfs/dbraw/zinc/58/29/58/1025582958.db2.gz SYWJNDIAXBFABY-OAQYLSRUSA-N 1 1 319.452 3.655 20 30 DHEDMO CC[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355028858 1025582965 /nfs/dbraw/zinc/58/29/65/1025582965.db2.gz SYWJNDIAXBFABY-OAQYLSRUSA-N 1 1 319.452 3.655 20 30 DHEDMO CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355028858 1025582973 /nfs/dbraw/zinc/58/29/73/1025582973.db2.gz SYWJNDIAXBFABY-OAQYLSRUSA-N 1 1 319.452 3.655 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](CC)CCC1CC1 ZINC000355061283 1025593460 /nfs/dbraw/zinc/59/34/60/1025593460.db2.gz IWZCWGYIOAKBKJ-HNNXBMFYSA-N 1 1 320.502 3.773 20 30 DHEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000886361443 1025604041 /nfs/dbraw/zinc/60/40/41/1025604041.db2.gz IIIHGWADZOZVRN-OLZOCXBDSA-N 1 1 303.356 3.838 20 30 DHEDMO N#C[C@H]1CCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001143544765 1025613167 /nfs/dbraw/zinc/61/31/67/1025613167.db2.gz JDRYHAWLHLPZAK-NSHDSACASA-N 1 1 316.298 3.850 20 30 DHEDMO N#C[C@H]1CCC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001143544765 1025613179 /nfs/dbraw/zinc/61/31/79/1025613179.db2.gz JDRYHAWLHLPZAK-NSHDSACASA-N 1 1 316.298 3.850 20 30 DHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cccc(CC#N)c3)c2C1 ZINC000066514336 1025622352 /nfs/dbraw/zinc/62/23/52/1025622352.db2.gz HHJYSYNKYPHZHP-UHFFFAOYSA-N 1 1 319.408 3.731 20 30 DHEDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cccc(CC#N)c3)c2C1 ZINC000066514336 1025622364 /nfs/dbraw/zinc/62/23/64/1025622364.db2.gz HHJYSYNKYPHZHP-UHFFFAOYSA-N 1 1 319.408 3.731 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000130054959 1025639262 /nfs/dbraw/zinc/63/92/62/1025639262.db2.gz NMTJZTWLVDSWGR-FQEVSTJZSA-N 1 1 310.441 3.719 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000355252642 1025655569 /nfs/dbraw/zinc/65/55/69/1025655569.db2.gz JXBDXKNHSUMCQV-QFBILLFUSA-N 1 1 311.429 3.531 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000355270504 1025660975 /nfs/dbraw/zinc/66/09/75/1025660975.db2.gz SETZHFWDBMCWDD-QGZVFWFLSA-N 1 1 302.462 3.709 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000355270504 1025660982 /nfs/dbraw/zinc/66/09/82/1025660982.db2.gz SETZHFWDBMCWDD-QGZVFWFLSA-N 1 1 302.462 3.709 20 30 DHEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000805746591 1025668900 /nfs/dbraw/zinc/66/89/00/1025668900.db2.gz BSGWXHMJOSNUEJ-LJQANCHMSA-N 1 1 307.397 3.559 20 30 DHEDMO N#CCCCCCC(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000805914113 1025709051 /nfs/dbraw/zinc/70/90/51/1025709051.db2.gz AOROXZSXKAGAKW-SFHVURJKSA-N 1 1 314.429 3.668 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617727 1025742758 /nfs/dbraw/zinc/74/27/58/1025742758.db2.gz WVBUOPUOPVGLGB-HOCLYGCPSA-N 1 1 324.346 3.731 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)s1 ZINC000886618843 1025743626 /nfs/dbraw/zinc/74/36/26/1025743626.db2.gz MINASRMGGBOJLY-GWCFXTLKSA-N 1 1 300.349 3.784 20 30 DHEDMO C=CCCCCCCCCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000806083469 1025767846 /nfs/dbraw/zinc/76/78/46/1025767846.db2.gz ZXMFGMGWTVSSAV-MSOLQXFVSA-N 1 1 321.509 3.829 20 30 DHEDMO CSc1ccc(C[NH2+][C@@H](C)c2csc(C)n2)cc1C#N ZINC000886688634 1025790853 /nfs/dbraw/zinc/79/08/53/1025790853.db2.gz WWOIVGBSOXBOOL-JTQLQIEISA-N 1 1 303.456 3.896 20 30 DHEDMO CCC[NH+]1CCC(N(C)Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614169129 1025792757 /nfs/dbraw/zinc/79/27/57/1025792757.db2.gz WNIGMFHGHSBMLU-UHFFFAOYSA-N 1 1 313.489 3.794 20 30 DHEDMO CCCN1CCC([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614169129 1025792769 /nfs/dbraw/zinc/79/27/69/1025792769.db2.gz WNIGMFHGHSBMLU-UHFFFAOYSA-N 1 1 313.489 3.794 20 30 DHEDMO CCCN1CCC([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614169129 1025792782 /nfs/dbraw/zinc/79/27/82/1025792782.db2.gz WNIGMFHGHSBMLU-UHFFFAOYSA-N 1 1 313.489 3.794 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000614174259 1025798751 /nfs/dbraw/zinc/79/87/51/1025798751.db2.gz IOHIWFFJPPMCBJ-QGZVFWFLSA-N 1 1 308.429 3.938 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000614174259 1025798766 /nfs/dbraw/zinc/79/87/66/1025798766.db2.gz IOHIWFFJPPMCBJ-QGZVFWFLSA-N 1 1 308.429 3.938 20 30 DHEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171625 1025802551 /nfs/dbraw/zinc/80/25/51/1025802551.db2.gz VJACCSZEGFZUJQ-LJQANCHMSA-N 1 1 322.456 3.867 20 30 DHEDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614185897 1025830283 /nfs/dbraw/zinc/83/02/83/1025830283.db2.gz DVBRWWKYQZGOOV-QGZVFWFLSA-N 1 1 300.446 3.736 20 30 DHEDMO C[N@@H+](CCCSCC#N)Cc1ccc(Br)s1 ZINC000074980997 1025830543 /nfs/dbraw/zinc/83/05/43/1025830543.db2.gz WXZMCXFZBROWAT-UHFFFAOYSA-N 1 1 319.293 3.589 20 30 DHEDMO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CCCCC1 ZINC000075589146 1025845930 /nfs/dbraw/zinc/84/59/30/1025845930.db2.gz ROOCEZKPOSRUCP-UHFFFAOYSA-N 1 1 310.401 3.620 20 30 DHEDMO C[C@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075837376 1025853569 /nfs/dbraw/zinc/85/35/69/1025853569.db2.gz PTBZCISXSDHCHE-JQFCIGGWSA-N 1 1 322.412 3.761 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cccc(C#N)c1 ZINC000353751101 1025888347 /nfs/dbraw/zinc/88/83/47/1025888347.db2.gz ISNWXMGQDIMEEN-GOSISDBHSA-N 1 1 319.452 3.655 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc2c1OCCO2 ZINC000058932140 1025922109 /nfs/dbraw/zinc/92/21/09/1025922109.db2.gz IFGXOKLFHZVBOM-UHFFFAOYSA-N 1 1 320.392 3.518 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2c1OCCO2 ZINC000058932140 1025922126 /nfs/dbraw/zinc/92/21/26/1025922126.db2.gz IFGXOKLFHZVBOM-UHFFFAOYSA-N 1 1 320.392 3.518 20 30 DHEDMO C[C@@H]1CCN(Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000354007809 1025924858 /nfs/dbraw/zinc/92/48/58/1025924858.db2.gz AOHVQLMYQOPLFJ-GOSISDBHSA-N 1 1 319.452 3.655 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)CC(C)C ZINC000356087262 1025943529 /nfs/dbraw/zinc/94/35/29/1025943529.db2.gz NJZQNCFVHCAHKU-UHFFFAOYSA-N 1 1 314.351 3.681 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411312771 1025944494 /nfs/dbraw/zinc/94/44/94/1025944494.db2.gz VWNXPSZANLXYMR-OAHLLOKOSA-N 1 1 306.450 3.514 20 30 DHEDMO C=CCCC1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000356157145 1025968468 /nfs/dbraw/zinc/96/84/68/1025968468.db2.gz LXFGVHUBDZCBJJ-GOSISDBHSA-N 1 1 312.457 3.514 20 30 DHEDMO C=CCCC1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000356157148 1025968807 /nfs/dbraw/zinc/96/88/07/1025968807.db2.gz LXFGVHUBDZCBJJ-SFHVURJKSA-N 1 1 312.457 3.514 20 30 DHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cc(C#N)cs3)c2C1 ZINC000084095275 1025993914 /nfs/dbraw/zinc/99/39/14/1025993914.db2.gz YXKKOZGSFYWKNH-UHFFFAOYSA-N 1 1 311.410 3.598 20 30 DHEDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cc(C#N)cs3)c2C1 ZINC000084095275 1025993918 /nfs/dbraw/zinc/99/39/18/1025993918.db2.gz YXKKOZGSFYWKNH-UHFFFAOYSA-N 1 1 311.410 3.598 20 30 DHEDMO C=CCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000807573072 1026085687 /nfs/dbraw/zinc/08/56/87/1026085687.db2.gz ZRNMYNMPCOMTFR-IAGOWNOFSA-N 1 1 309.498 3.637 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000532967938 1026154188 /nfs/dbraw/zinc/15/41/88/1026154188.db2.gz KIUWZFNNBPJNNN-UHFFFAOYSA-N 1 1 319.405 3.520 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2CC[C@H]2CC=C(C)C2(C)C)C1=O ZINC001275504006 1026169918 /nfs/dbraw/zinc/16/99/18/1026169918.db2.gz JJRPCXVXELLSHK-XLIONFOSSA-N 1 1 316.489 3.622 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000245767326 1026203134 /nfs/dbraw/zinc/20/31/34/1026203134.db2.gz RBAZJKWLBFXYHD-OLMNPRSZSA-N 1 1 316.470 3.837 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)Cc2ccc(OC)c(C#N)c2)cc1 ZINC000533079522 1026211206 /nfs/dbraw/zinc/21/12/06/1026211206.db2.gz CPBVXLOTZCATHK-UHFFFAOYSA-N 1 1 324.424 3.640 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2ccc(C#N)cn2)cc1 ZINC000052183855 1026224055 /nfs/dbraw/zinc/22/40/55/1026224055.db2.gz LMNVORATERYZOF-INIZCTEOSA-N 1 1 320.440 3.940 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@H](C3CC3)C2)c(O)c(OC)c1 ZINC000808230954 1026232459 /nfs/dbraw/zinc/23/24/59/1026232459.db2.gz UPVDUJAKAKJFSI-INIZCTEOSA-N 1 1 301.430 3.751 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+](C)C2CC(OCC)C2)c1O ZINC000808213831 1026234538 /nfs/dbraw/zinc/23/45/38/1026234538.db2.gz QTMJHOICNOMIMU-UHFFFAOYSA-N 1 1 319.445 3.519 20 30 DHEDMO COC(=O)[C@@H]1CC[C@@H]([N@@H+](CCC#N)C2CCCCCCC2)C1 ZINC001170551704 1026275873 /nfs/dbraw/zinc/27/58/73/1026275873.db2.gz WVFIRTIPDLTYKO-NVXWUHKLSA-N 1 1 306.450 3.657 20 30 DHEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(C#N)nc1 ZINC000398012587 1026287970 /nfs/dbraw/zinc/28/79/70/1026287970.db2.gz DQAYQQWZUCLLRW-IBGZPJMESA-N 1 1 308.429 3.522 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000614397201 1026292183 /nfs/dbraw/zinc/29/21/83/1026292183.db2.gz AUWNYSDQSLUKTC-GOSISDBHSA-N 1 1 320.392 3.933 20 30 DHEDMO C[C@H](C1CCC1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000357044977 1026293236 /nfs/dbraw/zinc/29/32/36/1026293236.db2.gz TVXFDTWKBSJTNK-GFCCVEGCSA-N 1 1 319.836 3.661 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000614402392 1026296059 /nfs/dbraw/zinc/29/60/59/1026296059.db2.gz CKMDXWJKHCHRBB-OAQYLSRUSA-N 1 1 320.436 3.700 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000614403507 1026299203 /nfs/dbraw/zinc/29/92/03/1026299203.db2.gz DUCJMVZXFIOMGG-FQEVSTJZSA-N 1 1 305.425 3.943 20 30 DHEDMO COc1cc2c(cc1F)C[N@H+](Cc1ccc(C#N)cc1C)CC2 ZINC000614407266 1026302572 /nfs/dbraw/zinc/30/25/72/1026302572.db2.gz KVLNDZZLUGBRSL-UHFFFAOYSA-N 1 1 310.372 3.573 20 30 DHEDMO COc1cc2c(cc1F)C[N@@H+](Cc1ccc(C#N)cc1C)CC2 ZINC000614407266 1026302581 /nfs/dbraw/zinc/30/25/81/1026302581.db2.gz KVLNDZZLUGBRSL-UHFFFAOYSA-N 1 1 310.372 3.573 20 30 DHEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)c(F)c1 ZINC000151139892 1026428401 /nfs/dbraw/zinc/42/84/01/1026428401.db2.gz LCHWVVGTFXOYCQ-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO CC[N@H+](CCOc1ccc(Cl)cc1Cl)C[C@H](C)C#N ZINC000513424067 1026500348 /nfs/dbraw/zinc/50/03/48/1026500348.db2.gz CMJYPIXURKCKIX-LLVKDONJSA-N 1 1 301.217 3.854 20 30 DHEDMO CC[N@@H+](CCOc1ccc(Cl)cc1Cl)C[C@H](C)C#N ZINC000513424067 1026500354 /nfs/dbraw/zinc/50/03/54/1026500354.db2.gz CMJYPIXURKCKIX-LLVKDONJSA-N 1 1 301.217 3.854 20 30 DHEDMO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(C#N)o2)C[N@H+]1Cc1ccccc1 ZINC000513498919 1026526860 /nfs/dbraw/zinc/52/68/60/1026526860.db2.gz CRDFUNNXWOWTEY-AEFFLSMTSA-N 1 1 323.440 3.542 20 30 DHEDMO C#Cc1ccc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000809575652 1026552470 /nfs/dbraw/zinc/55/24/70/1026552470.db2.gz JVKBVMLVNMNSKD-OAQYLSRUSA-N 1 1 305.421 3.540 20 30 DHEDMO CC(C)(C)OC(=O)N(CC[N@H+](CCC#N)CC1CC1)C(C)(C)C ZINC000809566716 1026552891 /nfs/dbraw/zinc/55/28/91/1026552891.db2.gz RBDDLDVTATVTMG-UHFFFAOYSA-N 1 1 323.481 3.648 20 30 DHEDMO CC(C)(C)OC(=O)N(CC[N@@H+](CCC#N)CC1CC1)C(C)(C)C ZINC000809566716 1026552894 /nfs/dbraw/zinc/55/28/94/1026552894.db2.gz RBDDLDVTATVTMG-UHFFFAOYSA-N 1 1 323.481 3.648 20 30 DHEDMO C#Cc1ccc(C[NH2+][C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000809615386 1026566204 /nfs/dbraw/zinc/56/62/04/1026566204.db2.gz ZQPSHZOAOWZDDO-JOCHJYFZSA-N 1 1 318.464 3.985 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC000809592733 1026566770 /nfs/dbraw/zinc/56/67/70/1026566770.db2.gz IZIRZHIBXMNNPA-GOSISDBHSA-N 1 1 313.441 3.612 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000809693067 1026585525 /nfs/dbraw/zinc/58/55/25/1026585525.db2.gz NFPBGWYFUDYFJF-IBGZPJMESA-N 1 1 309.413 3.539 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000809693067 1026585529 /nfs/dbraw/zinc/58/55/29/1026585529.db2.gz NFPBGWYFUDYFJF-IBGZPJMESA-N 1 1 309.413 3.539 20 30 DHEDMO C#C[C@H]([NH2+]Cc1cccc(OC)c1O)c1ccc(Cl)cc1F ZINC000809699519 1026587064 /nfs/dbraw/zinc/58/70/64/1026587064.db2.gz SGJSITTXBPEFJC-HNNXBMFYSA-N 1 1 319.763 3.657 20 30 DHEDMO C#C[C@@H](CC)[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000809686613 1026592709 /nfs/dbraw/zinc/59/27/09/1026592709.db2.gz FRTIEHYRYYMRNV-JTQLQIEISA-N 1 1 309.232 3.560 20 30 DHEDMO C#CC[N@H+](Cc1ccc(-c2cnn(C)c2)s1)Cc1ccccc1 ZINC000809715660 1026601608 /nfs/dbraw/zinc/60/16/08/1026601608.db2.gz FWDFODCIGNBOHL-UHFFFAOYSA-N 1 1 321.449 3.784 20 30 DHEDMO C#CC[N@H+](Cc1c[nH]nc1-c1ccc(C)o1)Cc1ccccc1 ZINC000809716199 1026601990 /nfs/dbraw/zinc/60/19/90/1026601990.db2.gz LRPYBNYNYFOMLQ-UHFFFAOYSA-N 1 1 305.381 3.614 20 30 DHEDMO CC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@@H](C)c1cccnc1 ZINC000809763994 1026620198 /nfs/dbraw/zinc/62/01/98/1026620198.db2.gz BWUPJGBKLWCWPF-HOTGVXAUSA-N 1 1 309.413 3.956 20 30 DHEDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CCCC(C)(C)C#N ZINC000420926020 1026879739 /nfs/dbraw/zinc/87/97/39/1026879739.db2.gz MPEBLIRRJNRYMG-LSDHHAIUSA-N 1 1 308.466 3.759 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)cc1F ZINC000420947485 1026887257 /nfs/dbraw/zinc/88/72/57/1026887257.db2.gz MXFREOAAACVWTR-GFCCVEGCSA-N 1 1 300.299 3.862 20 30 DHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000421000357 1026910462 /nfs/dbraw/zinc/91/04/62/1026910462.db2.gz DELVJRZTEGZMJW-CABCVRRESA-N 1 1 321.490 3.528 20 30 DHEDMO CC(C)C[C@H](C[N@H+](CCC#N)C(C)C)NC(=O)OC(C)(C)C ZINC000811456400 1027003600 /nfs/dbraw/zinc/00/36/00/1027003600.db2.gz NUXPSRJVLPMOFH-OAHLLOKOSA-N 1 1 311.470 3.550 20 30 DHEDMO CC(C)C[C@H](C[N@@H+](CCC#N)C(C)C)NC(=O)OC(C)(C)C ZINC000811456400 1027003609 /nfs/dbraw/zinc/00/36/09/1027003609.db2.gz NUXPSRJVLPMOFH-OAHLLOKOSA-N 1 1 311.470 3.550 20 30 DHEDMO C#C[C@H]([NH2+]Cc1cc(OC)cc(OC)c1)c1ccc(Cl)cc1 ZINC000811517031 1027018058 /nfs/dbraw/zinc/01/80/58/1027018058.db2.gz GBYLWWAPIIDUEJ-SFHVURJKSA-N 1 1 315.800 3.821 20 30 DHEDMO CC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@H]1CCOC(C)(C)C1 ZINC000811511851 1027027455 /nfs/dbraw/zinc/02/74/55/1027027455.db2.gz VZUAHKOKGHFVAN-WBVHZDCISA-N 1 1 316.445 3.757 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1cccc(-n2cccn2)c1)c1ccc(Cl)cc1 ZINC000811516159 1027028841 /nfs/dbraw/zinc/02/88/41/1027028841.db2.gz FYVXXCCOUMIKRB-LJQANCHMSA-N 1 1 321.811 3.990 20 30 DHEDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)ccc1OC(C)C ZINC000237248995 1027032291 /nfs/dbraw/zinc/03/22/91/1027032291.db2.gz ZUOHAUKUBLOTGX-CYBMUJFWSA-N 1 1 314.385 3.798 20 30 DHEDMO C[C@@H]1C(N=Nc2cc(Cl)ccn2)CC[N@H+]1Cc1ccccc1 ZINC000811646954 1027049667 /nfs/dbraw/zinc/04/96/67/1027049667.db2.gz RZENACFKRLAZCK-CYBMUJFWSA-N 1 1 314.820 3.797 20 30 DHEDMO CC(=[NH+]N[C@@H](C)COc1ccccc1)c1ccc(N)cc1Cl ZINC000811666820 1027056504 /nfs/dbraw/zinc/05/65/04/1027056504.db2.gz KRMYZLJJHPTGEY-LBPRGKRZSA-N 1 1 317.820 3.703 20 30 DHEDMO C=CC[NH+]1CCC(N[C@@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421838255 1027062695 /nfs/dbraw/zinc/06/26/95/1027062695.db2.gz VCVOLLIRVMRYTL-ZDUSSCGKSA-N 1 1 308.853 3.650 20 30 DHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)C1 ZINC000362385317 1027174840 /nfs/dbraw/zinc/17/48/40/1027174840.db2.gz XABOCWNTNHNYRG-HOTGVXAUSA-N 1 1 313.470 3.917 20 30 DHEDMO Cc1csc([C@@H]2CC[N@@H+](Cc3c(C)cc(C#N)cc3C)C2)n1 ZINC000931615671 1027188776 /nfs/dbraw/zinc/18/87/76/1027188776.db2.gz UMLGEBDMKAPHQV-MRXNPFEDSA-N 1 1 311.454 3.930 20 30 DHEDMO CC#CC[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000572798156 1027233883 /nfs/dbraw/zinc/23/38/83/1027233883.db2.gz VCUYTVMOYMJGBC-UHFFFAOYSA-N 1 1 302.830 3.845 20 30 DHEDMO CC#CC[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000572798156 1027233898 /nfs/dbraw/zinc/23/38/98/1027233898.db2.gz VCUYTVMOYMJGBC-UHFFFAOYSA-N 1 1 302.830 3.845 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1cc2c(c(Br)c1)OCO2 ZINC000513785414 1027275248 /nfs/dbraw/zinc/27/52/48/1027275248.db2.gz LWXPETONYGUFKC-UHFFFAOYSA-N 1 1 312.207 3.576 20 30 DHEDMO C=CCOc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422904551 1027352890 /nfs/dbraw/zinc/35/28/90/1027352890.db2.gz GXZKXVPRTMUQPK-GUDVDZBRSA-N 1 1 314.473 3.652 20 30 DHEDMO C=C[C@@H](CC)CC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000932072261 1027357146 /nfs/dbraw/zinc/35/71/46/1027357146.db2.gz CMHYOGHBMFVBJL-CVEARBPZSA-N 1 1 316.445 3.621 20 30 DHEDMO Cc1nc2ccccc2n1CCCCC[N@H+]1CCC[C@H](C#N)C1 ZINC000932154966 1027388804 /nfs/dbraw/zinc/38/88/04/1027388804.db2.gz UCTIPJYUUKSQTR-QGZVFWFLSA-N 1 1 310.445 3.751 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)c1F ZINC000932199876 1027409757 /nfs/dbraw/zinc/40/97/57/1027409757.db2.gz NOKLQKIYSCLODO-CYBMUJFWSA-N 1 1 315.417 3.609 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1nc2c(s1)CCCC2 ZINC000574617819 1027411328 /nfs/dbraw/zinc/41/13/28/1027411328.db2.gz VXMCVADLLPIATP-ZDUSSCGKSA-N 1 1 311.454 3.939 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1ccc(F)cc1 ZINC000812794007 1027421946 /nfs/dbraw/zinc/42/19/46/1027421946.db2.gz MROVJIGGMXUCGP-HXUWFJFHSA-N 1 1 321.399 3.640 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812847305 1027442496 /nfs/dbraw/zinc/44/24/96/1027442496.db2.gz ANDAHQBFBHWCLX-OXJNMPFZSA-N 1 1 308.425 3.811 20 30 DHEDMO CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812849785 1027446831 /nfs/dbraw/zinc/44/68/31/1027446831.db2.gz JPHFFJRGEPYOOG-FOIQADDNSA-N 1 1 324.424 3.511 20 30 DHEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812849948 1027446912 /nfs/dbraw/zinc/44/69/12/1027446912.db2.gz QZLVSLAUEARXIH-JXFKEZNVSA-N 1 1 324.424 3.533 20 30 DHEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812852292 1027449815 /nfs/dbraw/zinc/44/98/15/1027449815.db2.gz XKJYUKWEUUZOTN-LIRRHRJNSA-N 1 1 312.388 3.641 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812852812 1027449840 /nfs/dbraw/zinc/44/98/40/1027449840.db2.gz KTNRIALKNQNHDU-JXFKEZNVSA-N 1 1 308.425 3.811 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812854721 1027452308 /nfs/dbraw/zinc/45/23/08/1027452308.db2.gz VYRDQSKZZBPDCX-IFXJQAMLSA-N 1 1 312.388 3.641 20 30 DHEDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)cc1OC ZINC000362969290 1027474592 /nfs/dbraw/zinc/47/45/92/1027474592.db2.gz KHYAJKLTERXWJN-UHFFFAOYSA-N 1 1 324.424 3.824 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+](Cc1ccccn1)CC(C)C ZINC000932447443 1027499661 /nfs/dbraw/zinc/49/96/61/1027499661.db2.gz RUEBPSPGGYRDBE-UHFFFAOYSA-N 1 1 309.413 3.620 20 30 DHEDMO C[C@@]1(COC(=O)CCCC#N)CCCC[N@H+]1Cc1ccccc1 ZINC000813083840 1027527388 /nfs/dbraw/zinc/52/73/88/1027527388.db2.gz YOVMWATYDLJIMD-IBGZPJMESA-N 1 1 314.429 3.668 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CN[C@H](C)c1ccncc1F)C(C)C ZINC000575939628 1027532596 /nfs/dbraw/zinc/53/25/96/1027532596.db2.gz ATHLTWGBRMPUIY-QAPCUYQASA-N 1 1 305.441 3.570 20 30 DHEDMO CC[N@@H+](Cc1cccc(Br)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000576125293 1027567589 /nfs/dbraw/zinc/56/75/89/1027567589.db2.gz DZARCIWEDMFQTQ-DOMZBBRYSA-N 1 1 307.235 3.963 20 30 DHEDMO CCc1ccccc1[C@H](N)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000423496409 1027574352 /nfs/dbraw/zinc/57/43/52/1027574352.db2.gz DQUNGNDKLFPDTI-BFUOFWGJSA-N 1 1 311.404 3.610 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccccc1F ZINC000363285079 1027584234 /nfs/dbraw/zinc/58/42/34/1027584234.db2.gz BNSOLJKRNLBIMF-YZGWKJHDSA-N 1 1 324.399 3.631 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1F ZINC000363285079 1027584249 /nfs/dbraw/zinc/58/42/49/1027584249.db2.gz BNSOLJKRNLBIMF-YZGWKJHDSA-N 1 1 324.399 3.631 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000576284174 1027596272 /nfs/dbraw/zinc/59/62/72/1027596272.db2.gz OHEWQRODNMFNCQ-AEFFLSMTSA-N 1 1 302.462 3.758 20 30 DHEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2CCCC1CCCC1 ZINC001275831492 1027621201 /nfs/dbraw/zinc/62/12/01/1027621201.db2.gz QVVZMVPBSIWHDW-HXUWFJFHSA-N 1 1 318.505 3.990 20 30 DHEDMO CCCCCCC[C@@H](C)CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000813591970 1027671586 /nfs/dbraw/zinc/67/15/86/1027671586.db2.gz BBIHHJHUARMGRB-MJGOQNOKSA-N 1 1 323.525 3.720 20 30 DHEDMO C=CCCCCCCCCNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000813755248 1027701131 /nfs/dbraw/zinc/70/11/31/1027701131.db2.gz SSFDKWSYZZQBHX-IBGZPJMESA-N 1 1 321.509 3.640 20 30 DHEDMO C=CCCCCCCNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000813753507 1027703359 /nfs/dbraw/zinc/70/33/59/1027703359.db2.gz FMFWPEPTLVEEGU-QGZVFWFLSA-N 1 1 321.509 3.639 20 30 DHEDMO N#CCCCC[N@@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000527622564 1027787106 /nfs/dbraw/zinc/78/71/06/1027787106.db2.gz NSEBDOZXYJHAFV-UHFFFAOYSA-N 1 1 311.198 3.640 20 30 DHEDMO COCC[N@H+](CC#Cc1cccc(Cl)c1)Cc1cccs1 ZINC000448379523 1027772270 /nfs/dbraw/zinc/77/22/70/1027772270.db2.gz YRSYSXWOWKELET-UHFFFAOYSA-N 1 1 319.857 3.902 20 30 DHEDMO COCC[N@@H+](CC#Cc1cccc(Cl)c1)Cc1cccs1 ZINC000448379523 1027772283 /nfs/dbraw/zinc/77/22/83/1027772283.db2.gz YRSYSXWOWKELET-UHFFFAOYSA-N 1 1 319.857 3.902 20 30 DHEDMO CCCCc1noc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000933614740 1027775510 /nfs/dbraw/zinc/77/55/10/1027775510.db2.gz SEUHYKMUATVQHO-UHFFFAOYSA-N 1 1 324.428 3.663 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@H+]([C@H]3CCc4ccccc43)CCO2)cc1 ZINC000933627627 1027780241 /nfs/dbraw/zinc/78/02/41/1027780241.db2.gz GWZLGVUSBDDBOT-PMACEKPBSA-N 1 1 304.393 3.619 20 30 DHEDMO CC[C@@H](CC(F)F)C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933631420 1027781089 /nfs/dbraw/zinc/78/10/89/1027781089.db2.gz JONKUTJJFLRIHH-XJKSGUPXSA-N 1 1 308.372 3.613 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@H+](CC[C@H]3CCCC3(F)F)CCO2)cc1 ZINC000933629463 1027780809 /nfs/dbraw/zinc/78/08/09/1027780809.db2.gz BXZLPPRBXJKUIU-SJORKVTESA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)CCO2)cc1 ZINC000933629463 1027780829 /nfs/dbraw/zinc/78/08/29/1027780829.db2.gz BXZLPPRBXJKUIU-SJORKVTESA-N 1 1 320.383 3.757 20 30 DHEDMO CC[C@@H](CC(F)F)C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933631420 1027781074 /nfs/dbraw/zinc/78/10/74/1027781074.db2.gz JONKUTJJFLRIHH-XJKSGUPXSA-N 1 1 308.372 3.613 20 30 DHEDMO CC(C)(C)OCCCC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933629596 1027781773 /nfs/dbraw/zinc/78/17/73/1027781773.db2.gz PYDPCKSTZWNWQL-SFHVURJKSA-N 1 1 316.445 3.527 20 30 DHEDMO CC(C)(C)OCCCC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933629596 1027781785 /nfs/dbraw/zinc/78/17/85/1027781785.db2.gz PYDPCKSTZWNWQL-SFHVURJKSA-N 1 1 316.445 3.527 20 30 DHEDMO N#CCCCC[N@H+]1CCc2ccc(F)c(Br)c2C1 ZINC000527622564 1027787079 /nfs/dbraw/zinc/78/70/79/1027787079.db2.gz NSEBDOZXYJHAFV-UHFFFAOYSA-N 1 1 311.198 3.640 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(C=Cc4ccccc4O3)C2)o1 ZINC000933657701 1027793922 /nfs/dbraw/zinc/79/39/22/1027793922.db2.gz WMXHHXNNUHNHLQ-LJQANCHMSA-N 1 1 306.365 3.592 20 30 DHEDMO N#CC1(C[C@H](O)CNc2ccc([NH2+]C3CCCCC3)cc2)CC1 ZINC000600741089 1027811757 /nfs/dbraw/zinc/81/17/57/1027811757.db2.gz BPVPJSZMTJLDBW-SFHVURJKSA-N 1 1 313.445 3.898 20 30 DHEDMO C[N@@H+](CCc1nsc2ccccc21)Cc1cc(C#N)cs1 ZINC000933770334 1027822126 /nfs/dbraw/zinc/82/21/26/1027822126.db2.gz JFKMUNMKAVNKLQ-UHFFFAOYSA-N 1 1 313.451 3.904 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CCc3c(Cl)cc(F)cc3C2)cc1 ZINC001170722635 1027845730 /nfs/dbraw/zinc/84/57/30/1027845730.db2.gz KAHCQCQISMMFCU-UHFFFAOYSA-N 1 1 314.791 3.952 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000297750771 1027852532 /nfs/dbraw/zinc/85/25/32/1027852532.db2.gz OUVWMSZGIFFFPZ-SJLPKXTDSA-N 1 1 314.473 3.616 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(C#N)cc1Br)C1CCCC1 ZINC000778218759 1027899260 /nfs/dbraw/zinc/89/92/60/1027899260.db2.gz YLPHZECVCGUCAW-UHFFFAOYSA-N 1 1 317.230 3.699 20 30 DHEDMO C#CC[N@H+](Cc1ccc(C#N)cc1Br)C1CCCC1 ZINC000778218759 1027899280 /nfs/dbraw/zinc/89/92/80/1027899280.db2.gz YLPHZECVCGUCAW-UHFFFAOYSA-N 1 1 317.230 3.699 20 30 DHEDMO Cc1cc(C)c(C[S@](=O)CCCCC(C)(C)C#N)c(C)[nH+]1 ZINC000600935287 1027910506 /nfs/dbraw/zinc/91/05/06/1027910506.db2.gz IWYSCVQPLRHCHE-OAQYLSRUSA-N 1 1 306.475 3.976 20 30 DHEDMO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000600937199 1027911027 /nfs/dbraw/zinc/91/10/27/1027911027.db2.gz SMPFYBZYTSPGAK-GOSISDBHSA-N 1 1 324.449 3.571 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000600937199 1027911039 /nfs/dbraw/zinc/91/10/39/1027911039.db2.gz SMPFYBZYTSPGAK-GOSISDBHSA-N 1 1 324.449 3.571 20 30 DHEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000934273563 1027948323 /nfs/dbraw/zinc/94/83/23/1027948323.db2.gz FVRSGBIETVIQHQ-LMMKCTJWSA-N 1 1 314.473 3.758 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000365457449 1027950186 /nfs/dbraw/zinc/95/01/86/1027950186.db2.gz GNSFVEICGAIHSC-HNNXBMFYSA-N 1 1 315.465 3.512 20 30 DHEDMO C[C@H](c1c(F)cccc1F)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000577877109 1027971957 /nfs/dbraw/zinc/97/19/57/1027971957.db2.gz SKHKSGBGNWKZOM-CYBMUJFWSA-N 1 1 316.351 3.908 20 30 DHEDMO C[C@H](c1c(F)cccc1F)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000577877109 1027971971 /nfs/dbraw/zinc/97/19/71/1027971971.db2.gz SKHKSGBGNWKZOM-CYBMUJFWSA-N 1 1 316.351 3.908 20 30 DHEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000934473200 1028015662 /nfs/dbraw/zinc/01/56/62/1028015662.db2.gz XWEBYSICUDMFHV-PBHICJAKSA-N 1 1 300.446 3.789 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000934473200 1028015680 /nfs/dbraw/zinc/01/56/80/1028015680.db2.gz XWEBYSICUDMFHV-PBHICJAKSA-N 1 1 300.446 3.789 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000299366361 1028043211 /nfs/dbraw/zinc/04/32/11/1028043211.db2.gz XYPQFUJSAXARFE-UHFFFAOYSA-N 1 1 302.462 3.700 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)c1 ZINC000934878154 1028137139 /nfs/dbraw/zinc/13/71/39/1028137139.db2.gz UTDPWRKULQWALD-HNNXBMFYSA-N 1 1 301.434 3.525 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814674943 1028148948 /nfs/dbraw/zinc/14/89/48/1028148948.db2.gz ZFUASAWMNZOMNW-JKSUJKDBSA-N 1 1 308.466 3.532 20 30 DHEDMO N#Cc1ccc(F)c(C[NH+]2CCC(F)(c3cccnc3)CC2)c1 ZINC000367462175 1028189529 /nfs/dbraw/zinc/18/95/29/1028189529.db2.gz DOONOHGMGXRIDG-UHFFFAOYSA-N 1 1 313.351 3.553 20 30 DHEDMO C[C@@H]1CCSCC[N@H+]1Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000367567499 1028204632 /nfs/dbraw/zinc/20/46/32/1028204632.db2.gz WMNQGMKCWBIRLI-CYBMUJFWSA-N 1 1 313.426 3.541 20 30 DHEDMO C[C@@H](N[NH+]=C1CC(C)(C)Cc2nc(N)sc21)c1ccccc1 ZINC000814815250 1028224456 /nfs/dbraw/zinc/22/44/56/1028224456.db2.gz RJPCZFCHFRUPCY-LLVKDONJSA-N 1 1 314.458 3.753 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000367872650 1028254354 /nfs/dbraw/zinc/25/43/54/1028254354.db2.gz HWAULVTUUIGLPZ-KBXCAEBGSA-N 1 1 307.397 3.545 20 30 DHEDMO Brc1cnn([NH+]=C2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000814884354 1028281225 /nfs/dbraw/zinc/28/12/25/1028281225.db2.gz IJACLDIAPFJVMX-ZDUSSCGKSA-N 1 1 318.218 3.893 20 30 DHEDMO N#CCCn1cc(C[N@H+]2C[C@H]3CCCC[C@H]32)c(-c2ccccc2)n1 ZINC000368219163 1028321061 /nfs/dbraw/zinc/32/10/61/1028321061.db2.gz AEIGQJSZPHIAGA-IEBWSBKVSA-N 1 1 320.440 3.838 20 30 DHEDMO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000368366391 1028341246 /nfs/dbraw/zinc/34/12/46/1028341246.db2.gz CKFJKLINBUQQLU-HSALFYBXSA-N 1 1 311.473 3.571 20 30 DHEDMO C=C(C)C[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000049067460 1028358310 /nfs/dbraw/zinc/35/83/10/1028358310.db2.gz RYHLTBXOASNFBD-AWEZNQCLSA-N 1 1 313.228 3.972 20 30 DHEDMO C=C(C)C[N@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000049067460 1028358324 /nfs/dbraw/zinc/35/83/24/1028358324.db2.gz RYHLTBXOASNFBD-AWEZNQCLSA-N 1 1 313.228 3.972 20 30 DHEDMO C[C@H]([NH2+][C@H]1c2ccc(F)cc2O[C@@H]1C)c1ccc(C#N)s1 ZINC000368582703 1028376386 /nfs/dbraw/zinc/37/63/86/1028376386.db2.gz GLIVFCWOBLNFGM-YNHOBRIKSA-N 1 1 302.374 3.932 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000369002596 1028432598 /nfs/dbraw/zinc/43/25/98/1028432598.db2.gz RKBKCPVGRAPGIG-FQEVSTJZSA-N 1 1 312.457 3.880 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000579649364 1028457856 /nfs/dbraw/zinc/45/78/56/1028457856.db2.gz CDZAAEBTRFVSAL-ZDUSSCGKSA-N 1 1 309.841 3.740 20 30 DHEDMO Cc1ncccc1O[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000369321215 1028471112 /nfs/dbraw/zinc/47/11/12/1028471112.db2.gz GKPXCIRHUPRMIN-MRXNPFEDSA-N 1 1 301.434 3.563 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000369361203 1028478374 /nfs/dbraw/zinc/47/83/74/1028478374.db2.gz ASTSVEOHYCXBJU-HNNXBMFYSA-N 1 1 315.465 3.582 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000369361203 1028478397 /nfs/dbraw/zinc/47/83/97/1028478397.db2.gz ASTSVEOHYCXBJU-HNNXBMFYSA-N 1 1 315.465 3.582 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000369361203 1028478409 /nfs/dbraw/zinc/47/84/09/1028478409.db2.gz ASTSVEOHYCXBJU-HNNXBMFYSA-N 1 1 315.465 3.582 20 30 DHEDMO N#Cc1c(NCCc2cn3c([nH+]2)CCCC3)cccc1C(F)F ZINC000564585363 1028478757 /nfs/dbraw/zinc/47/87/57/1028478757.db2.gz JMESAVXMRPNZNN-UHFFFAOYSA-N 1 1 316.355 3.683 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000369464826 1028490466 /nfs/dbraw/zinc/49/04/66/1028490466.db2.gz SABGQRDNGCVIHG-AWEZNQCLSA-N 1 1 322.334 3.877 20 30 DHEDMO N#C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CCCCC1 ZINC000815444474 1028500964 /nfs/dbraw/zinc/50/09/64/1028500964.db2.gz COBFECYCOSXXFE-MSOLQXFVSA-N 1 1 318.461 3.799 20 30 DHEDMO C[C@H](C#N)C[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000564808673 1028504924 /nfs/dbraw/zinc/50/49/24/1028504924.db2.gz GNZDRPBDZUMHOC-OAHLLOKOSA-N 1 1 308.429 3.914 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)s1 ZINC000528571148 1028571181 /nfs/dbraw/zinc/57/11/81/1028571181.db2.gz KDPDQFMTZLBTSA-UHFFFAOYSA-N 1 1 316.401 3.802 20 30 DHEDMO COc1cccc([C@H]2C[N@H+](C[C@H](C#N)CCC#N)CC2(C)C)c1 ZINC000528619930 1028592568 /nfs/dbraw/zinc/59/25/68/1028592568.db2.gz NBYQWVRNRFSBJO-MAUKXSAKSA-N 1 1 311.429 3.564 20 30 DHEDMO COc1cccc([C@H]2C[N@@H+](C[C@H](C#N)CCC#N)CC2(C)C)c1 ZINC000528619930 1028592576 /nfs/dbraw/zinc/59/25/76/1028592576.db2.gz NBYQWVRNRFSBJO-MAUKXSAKSA-N 1 1 311.429 3.564 20 30 DHEDMO C[C@@H]([NH2+]Cc1c(F)cc(F)cc1F)c1ccc(OCC#N)cc1 ZINC000815649731 1028594436 /nfs/dbraw/zinc/59/44/36/1028594436.db2.gz XKHIQSZHWDIVAJ-LLVKDONJSA-N 1 1 320.314 3.857 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCCC[C@@H](COC)C1 ZINC000779170629 1028601357 /nfs/dbraw/zinc/60/13/57/1028601357.db2.gz DOKFJWINOBAGPG-OAHLLOKOSA-N 1 1 321.848 3.601 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000370488774 1028609705 /nfs/dbraw/zinc/60/97/05/1028609705.db2.gz SKPZGMJPNQQWCW-QUCCMNQESA-N 1 1 310.441 3.738 20 30 DHEDMO C=CCC(F)(F)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000815764944 1028622961 /nfs/dbraw/zinc/62/29/61/1028622961.db2.gz ZYIOTGGTDWTMTI-LBPRGKRZSA-N 1 1 319.355 3.569 20 30 DHEDMO C=CCOc1cccc(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)c1 ZINC000566339429 1028707795 /nfs/dbraw/zinc/70/77/95/1028707795.db2.gz QRUAVZIKOQQFBY-IFXJQAMLSA-N 1 1 315.388 3.602 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)cc1Cl ZINC000449500657 1028718767 /nfs/dbraw/zinc/71/87/67/1028718767.db2.gz NCMRCFMDZMKWCX-XJKSGUPXSA-N 1 1 309.837 3.762 20 30 DHEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCCCC#N ZINC000371518928 1028725535 /nfs/dbraw/zinc/72/55/35/1028725535.db2.gz UQVDXOGQEAWIBQ-HZPDHXFCSA-N 1 1 321.465 3.544 20 30 DHEDMO Cc1csc2c1C[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC2 ZINC000371583638 1028735419 /nfs/dbraw/zinc/73/54/19/1028735419.db2.gz ZQGVVEVCXGSXDT-AWEZNQCLSA-N 1 1 312.438 3.906 20 30 DHEDMO Cc1ncsc1CC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000371781491 1028756422 /nfs/dbraw/zinc/75/64/22/1028756422.db2.gz KXIWQFROXZGYGT-SJORKVTESA-N 1 1 311.454 3.766 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000372019096 1028791179 /nfs/dbraw/zinc/79/11/79/1028791179.db2.gz RETFJANLLAZVKU-RBUKOAKNSA-N 1 1 314.404 3.569 20 30 DHEDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000372179340 1028819226 /nfs/dbraw/zinc/81/92/26/1028819226.db2.gz GHVRFMMUJJJILI-SFHVURJKSA-N 1 1 313.832 3.571 20 30 DHEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000372179340 1028819240 /nfs/dbraw/zinc/81/92/40/1028819240.db2.gz GHVRFMMUJJJILI-SFHVURJKSA-N 1 1 313.832 3.571 20 30 DHEDMO C=CCC(F)(F)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000816547711 1028930395 /nfs/dbraw/zinc/93/03/95/1028930395.db2.gz FZXCWWPMKUKQDQ-UHFFFAOYSA-N 1 1 302.752 3.552 20 30 DHEDMO C=CC[N@@H+](Cc1ccc2c[nH]nc2c1)Cc1cccc(C#N)c1 ZINC000120004693 1028995887 /nfs/dbraw/zinc/99/58/87/1028995887.db2.gz CVJGBJMUAKPHMK-UHFFFAOYSA-N 1 1 302.381 3.623 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](COC)CC2)cc1OC ZINC000449781501 1028999407 /nfs/dbraw/zinc/99/94/07/1028999407.db2.gz XJTVMMCKSGSTRK-INIZCTEOSA-N 1 1 319.445 3.509 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000568248840 1029031259 /nfs/dbraw/zinc/03/12/59/1029031259.db2.gz NGBWZWLXYUNOFR-UHFFFAOYSA-N 1 1 301.390 3.673 20 30 DHEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000373411361 1029037414 /nfs/dbraw/zinc/03/74/14/1029037414.db2.gz DWMZHYYUTRVVIC-UZLBHIALSA-N 1 1 321.424 3.805 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3OC)nc2)C1 ZINC000628406930 1029041927 /nfs/dbraw/zinc/04/19/27/1029041927.db2.gz VEXRIOIVJRNHMA-HNNXBMFYSA-N 1 1 309.413 3.550 20 30 DHEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CCCC1 ZINC000628543661 1029091276 /nfs/dbraw/zinc/09/12/76/1029091276.db2.gz DCZRPAIALXYKCR-KRWDZBQOSA-N 1 1 304.478 3.646 20 30 DHEDMO CC[C@H](c1ccc(F)cc1F)N1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411314876 1029098819 /nfs/dbraw/zinc/09/88/19/1029098819.db2.gz SAVMRKIQAISTRG-RDTXWAMCSA-N 1 1 321.415 3.726 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CCCC(C)(C)C#N)C1 ZINC000373914179 1029166855 /nfs/dbraw/zinc/16/68/55/1029166855.db2.gz UTWBFOPNMYDUCJ-XDNAFOTISA-N 1 1 306.494 3.968 20 30 DHEDMO N#C[C@H]1CC=C(Nc2c[nH+]c3ccc(Br)cn23)CC1 ZINC001212855812 1029178815 /nfs/dbraw/zinc/17/88/15/1029178815.db2.gz DEFLONVWAUDPGX-JTQLQIEISA-N 1 1 317.190 3.716 20 30 DHEDMO N#CC1(CC[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)CCCCC1 ZINC000411716291 1029187722 /nfs/dbraw/zinc/18/77/22/1029187722.db2.gz FUDCDEAJIMGDHV-OAHLLOKOSA-N 1 1 318.383 3.630 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000411796216 1029210254 /nfs/dbraw/zinc/21/02/54/1029210254.db2.gz VQSANMPKRJFSRR-JSGCOSHPSA-N 1 1 307.235 3.931 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000411796220 1029211383 /nfs/dbraw/zinc/21/13/83/1029211383.db2.gz VQSANMPKRJFSRR-OCCSQVGLSA-N 1 1 307.235 3.931 20 30 DHEDMO N#CC1(CCC[N@H+]2CCSC3(CCCCC3)C2)CCOCC1 ZINC000374164585 1029225122 /nfs/dbraw/zinc/22/51/22/1029225122.db2.gz WHWKECFMMHZIJZ-UHFFFAOYSA-N 1 1 322.518 3.839 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)cc1 ZINC000190962270 1029228260 /nfs/dbraw/zinc/22/82/60/1029228260.db2.gz PYVZCSGOQGUSIX-OXJNMPFZSA-N 1 1 306.409 3.677 20 30 DHEDMO CC[N@@H+](CCC#N)[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170880617 1029264551 /nfs/dbraw/zinc/26/45/51/1029264551.db2.gz ZMHUFUPLFPHURP-OAHLLOKOSA-N 1 1 307.235 3.542 20 30 DHEDMO N#CC1(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000450227012 1029266133 /nfs/dbraw/zinc/26/61/33/1029266133.db2.gz NXUPZFPHIJZJSK-UHFFFAOYSA-N 1 1 317.864 3.542 20 30 DHEDMO C#CC[N@@H+](Cc1coc(-c2ccc(OC)cc2)n1)C1CCCC1 ZINC000155792414 1029302513 /nfs/dbraw/zinc/30/25/13/1029302513.db2.gz ADEPRCBEZPKBRN-UHFFFAOYSA-N 1 1 310.397 3.728 20 30 DHEDMO C#CC[N@H+](Cc1coc(-c2ccc(OC)cc2)n1)C1CCCC1 ZINC000155792414 1029302531 /nfs/dbraw/zinc/30/25/31/1029302531.db2.gz ADEPRCBEZPKBRN-UHFFFAOYSA-N 1 1 310.397 3.728 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000817966498 1029308024 /nfs/dbraw/zinc/30/80/24/1029308024.db2.gz PBQUAWHBULIMJV-QAPCUYQASA-N 1 1 322.880 3.858 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)NCCC[NH2+]C2CC2)cc1 ZINC000817984217 1029320743 /nfs/dbraw/zinc/32/07/43/1029320743.db2.gz OSHZAEIVQGQBEA-CQSZACIVSA-N 1 1 308.853 3.611 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000078282531 1029334524 /nfs/dbraw/zinc/33/45/24/1029334524.db2.gz VEORKUOXKJCBIB-UHFFFAOYSA-N 1 1 315.461 3.513 20 30 DHEDMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000818346664 1029367400 /nfs/dbraw/zinc/36/74/00/1029367400.db2.gz HHCFKSSXBKNJNI-FTGAXOIBSA-N 1 1 316.228 3.941 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](c3ccccc3)CC2)cc1 ZINC000156049251 1029367528 /nfs/dbraw/zinc/36/75/28/1029367528.db2.gz ZZVPVHFFQZBFGE-FPOVZHCZSA-N 1 1 320.436 3.861 20 30 DHEDMO CC1=C(c2ccco2)C[N@@H+](CCCC2(C#N)CCOCC2)CC1 ZINC000374538899 1029377109 /nfs/dbraw/zinc/37/71/09/1029377109.db2.gz SSWBAGSVTRKNEU-UHFFFAOYSA-N 1 1 314.429 3.859 20 30 DHEDMO CCCCC[N@@H+](CCO)Cc1ccc(C#N)cc1C(F)(F)F ZINC000570559709 1029382761 /nfs/dbraw/zinc/38/27/61/1029382761.db2.gz LTRSUIHAEQVNAQ-UHFFFAOYSA-N 1 1 314.351 3.562 20 30 DHEDMO CCN(CC1(C#N)CCC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000450337701 1029397280 /nfs/dbraw/zinc/39/72/80/1029397280.db2.gz HAAKTUIFSWQHOU-IEBWSBKVSA-N 1 1 311.473 3.838 20 30 DHEDMO CCN(CC1(C#N)CCC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000450337703 1029397833 /nfs/dbraw/zinc/39/78/33/1029397833.db2.gz HAAKTUIFSWQHOU-PKOBYXMFSA-N 1 1 311.473 3.838 20 30 DHEDMO C=CC(C)(C)C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000450396037 1029433766 /nfs/dbraw/zinc/43/37/66/1029433766.db2.gz WBXHUCYASCHONU-UHFFFAOYSA-N 1 1 308.510 3.805 20 30 DHEDMO CN(c1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1)C1CCCCC1 ZINC000818980607 1029444686 /nfs/dbraw/zinc/44/46/86/1029444686.db2.gz MPAFRFYNLPZBCN-GOSISDBHSA-N 1 1 324.472 3.989 20 30 DHEDMO CC(C)(C)[N@@H+]1CC[C@H](NCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000374779832 1029458243 /nfs/dbraw/zinc/45/82/43/1029458243.db2.gz MUKLCFDKDOGURF-GJZGRUSLSA-N 1 1 309.816 3.506 20 30 DHEDMO CC(C)(C)[N@H+]1CC[C@H](NCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000374779832 1029458249 /nfs/dbraw/zinc/45/82/49/1029458249.db2.gz MUKLCFDKDOGURF-GJZGRUSLSA-N 1 1 309.816 3.506 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](O)c2ccccc2C1 ZINC000374812196 1029463267 /nfs/dbraw/zinc/46/32/67/1029463267.db2.gz ZYGRNFXPBQNBGN-FQEVSTJZSA-N 1 1 320.436 3.927 20 30 DHEDMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(C#N)o3)CC2(C)C)c1 ZINC000529639015 1029472932 /nfs/dbraw/zinc/47/29/32/1029472932.db2.gz IQENRRWRZVTSPI-SFHVURJKSA-N 1 1 310.397 3.785 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N[C@H](CCC)c1ccccc1 ZINC000302740910 1029476360 /nfs/dbraw/zinc/47/63/60/1029476360.db2.gz KKTCEBBJBPTRFT-SJLPKXTDSA-N 1 1 302.462 3.931 20 30 DHEDMO Cc1nc(CO[C@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)cs1 ZINC000374911230 1029496496 /nfs/dbraw/zinc/49/64/96/1029496496.db2.gz IWRCGSSPQHYMIB-INIZCTEOSA-N 1 1 321.490 3.763 20 30 DHEDMO CCCn1cc[nH+]c1CCCN(C)c1cccc(Cl)c1C#N ZINC000450483202 1029506032 /nfs/dbraw/zinc/50/60/32/1029506032.db2.gz FDCPFDOENBPGFG-UHFFFAOYSA-N 1 1 316.836 3.887 20 30 DHEDMO C=CCC1(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCCC1 ZINC000450514273 1029522424 /nfs/dbraw/zinc/52/24/24/1029522424.db2.gz CSWHMOUZNLZDBQ-DLBZAZTESA-N 1 1 318.505 3.892 20 30 DHEDMO C[C@@H]1CN(c2cccc(Cl)c2C#N)CC[N@H+](C2CCC2)C1 ZINC000450539252 1029547251 /nfs/dbraw/zinc/54/72/51/1029547251.db2.gz JELFEVGYXVBKSR-ZDUSSCGKSA-N 1 1 303.837 3.522 20 30 DHEDMO N#CC1(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000450616868 1029581284 /nfs/dbraw/zinc/58/12/84/1029581284.db2.gz SBBVALGNMRVVMH-HUUCEWRRSA-N 1 1 324.346 3.507 20 30 DHEDMO N#CC1(C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000450616868 1029581292 /nfs/dbraw/zinc/58/12/92/1029581292.db2.gz SBBVALGNMRVVMH-HUUCEWRRSA-N 1 1 324.346 3.507 20 30 DHEDMO COc1cc(Br)ccc1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000450819954 1029698438 /nfs/dbraw/zinc/69/84/38/1029698438.db2.gz HUPSUCMTRYRPFD-NSHDSACASA-N 1 1 323.234 3.802 20 30 DHEDMO CN(C)c1[nH+]cc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)n1C ZINC000821027881 1029799770 /nfs/dbraw/zinc/79/97/70/1029799770.db2.gz MSZDSRRRGYUGDZ-FNORWQNLSA-N 1 1 324.211 3.689 20 30 DHEDMO C=C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCCC)c1ccccc1 ZINC001136465831 1029858348 /nfs/dbraw/zinc/85/83/48/1029858348.db2.gz WUQZQMNWELRYOL-RTBURBONSA-N 1 1 314.473 3.727 20 30 DHEDMO C#C[C@H](OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000821612897 1029861853 /nfs/dbraw/zinc/86/18/53/1029861853.db2.gz NITJAKHOHGEIIJ-PMACEKPBSA-N 1 1 319.404 3.569 20 30 DHEDMO C#C[C@H](OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000821612897 1029861860 /nfs/dbraw/zinc/86/18/60/1029861860.db2.gz NITJAKHOHGEIIJ-PMACEKPBSA-N 1 1 319.404 3.569 20 30 DHEDMO COc1ccc([C@@H]2C[C@@H](C)C[N@H+]2CCCSCC#N)cc1 ZINC000121853770 1029865213 /nfs/dbraw/zinc/86/52/13/1029865213.db2.gz DIKHZQUXTUBABK-PBHICJAKSA-N 1 1 304.459 3.725 20 30 DHEDMO N#Cc1cnc(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c(F)c1 ZINC000413032003 1029918146 /nfs/dbraw/zinc/91/81/46/1029918146.db2.gz YQGHWRHZJYEDSI-UHFFFAOYSA-N 1 1 321.359 3.912 20 30 DHEDMO N#CCCCC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451567129 1029921428 /nfs/dbraw/zinc/92/14/28/1029921428.db2.gz KWDOMWFTDXYAAM-CQSZACIVSA-N 1 1 307.235 3.932 20 30 DHEDMO CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](COC)Cc1ccccc1 ZINC000530627134 1029934674 /nfs/dbraw/zinc/93/46/74/1029934674.db2.gz HJVCRYADIHIOGX-HXUWFJFHSA-N 1 1 308.425 3.638 20 30 DHEDMO C[C@H]1C[C@H](Nc2ncc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000413175033 1029937752 /nfs/dbraw/zinc/93/77/52/1029937752.db2.gz JGXXOFIGLWDNHE-WMLDXEAASA-N 1 1 324.403 3.557 20 30 DHEDMO C=CCN1c2ccccc2[C@@]2(CC[N@H+](CCCC(C)C)C2)C1=O ZINC001276260210 1029967528 /nfs/dbraw/zinc/96/75/28/1029967528.db2.gz ZCQFIWRLFSXNRW-FQEVSTJZSA-N 1 1 312.457 3.599 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2cccnc2C#N)cc1 ZINC000357320280 1029995762 /nfs/dbraw/zinc/99/57/62/1029995762.db2.gz WSQWZIVTNMCENV-MRXNPFEDSA-N 1 1 320.440 3.940 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451845753 1030035748 /nfs/dbraw/zinc/03/57/48/1030035748.db2.gz VKQQPJZFGJLODP-GOSISDBHSA-N 1 1 308.381 3.757 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451845753 1030035764 /nfs/dbraw/zinc/03/57/64/1030035764.db2.gz VKQQPJZFGJLODP-GOSISDBHSA-N 1 1 308.381 3.757 20 30 DHEDMO CCOc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c(O)c1 ZINC000822526805 1030043918 /nfs/dbraw/zinc/04/39/18/1030043918.db2.gz YEEWELXNPPEJIK-AWEZNQCLSA-N 1 1 310.397 3.856 20 30 DHEDMO CCOc1ccc(O)c(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000822525632 1030044007 /nfs/dbraw/zinc/04/40/07/1030044007.db2.gz KMMAVGONUOIGSF-CQSZACIVSA-N 1 1 310.397 3.856 20 30 DHEDMO C=CCCC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC001136598251 1030063208 /nfs/dbraw/zinc/06/32/08/1030063208.db2.gz YJEYMTMWTQSKLM-QFBILLFUSA-N 1 1 314.473 3.725 20 30 DHEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000822650477 1030085570 /nfs/dbraw/zinc/08/55/70/1030085570.db2.gz SSCJZVUFMQVXQI-LLVKDONJSA-N 1 1 311.172 3.737 20 30 DHEDMO CC(C)(C)C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000452083890 1030123041 /nfs/dbraw/zinc/12/30/41/1030123041.db2.gz UORISIQXIVJIQF-OAHLLOKOSA-N 1 1 324.428 3.866 20 30 DHEDMO COC[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000452086059 1030123237 /nfs/dbraw/zinc/12/32/37/1030123237.db2.gz OMBMJPXPZUSWKA-MRXNPFEDSA-N 1 1 300.446 3.736 20 30 DHEDMO C=C(Br)C[NH2+][C@H](CC)c1cccc(OC)c1OC ZINC000866259379 1030185217 /nfs/dbraw/zinc/18/52/17/1030185217.db2.gz ASALFRMZVASFPC-GFCCVEGCSA-N 1 1 314.223 3.653 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2[O-])c1 ZINC000866259127 1030186199 /nfs/dbraw/zinc/18/61/99/1030186199.db2.gz HYXBLKGPRYAEQR-OAHLLOKOSA-N 1 1 323.440 3.566 20 30 DHEDMO Cc1cccc([C@H](c2noc([C@H]([NH3+])CCCC#N)n2)C(C)C)c1 ZINC000823209848 1030230563 /nfs/dbraw/zinc/23/05/63/1030230563.db2.gz JPOSNCZMWXBZJX-HZPDHXFCSA-N 1 1 312.417 3.860 20 30 DHEDMO C#CC[N@@H+](Cc1cc2cccnc2o1)[C@H]1CCc2ccccc21 ZINC000823371925 1030267231 /nfs/dbraw/zinc/26/72/31/1030267231.db2.gz PZYUIADWEGAEGC-IBGZPJMESA-N 1 1 302.377 3.951 20 30 DHEDMO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1cccc(C#N)c1O ZINC000866400005 1030277921 /nfs/dbraw/zinc/27/79/21/1030277921.db2.gz UVFXWLOPOUXZCS-SCLBCKFNSA-N 1 1 307.397 3.851 20 30 DHEDMO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCc3c2nccc3Cl)c1 ZINC000925471651 1030372860 /nfs/dbraw/zinc/37/28/60/1030372860.db2.gz ABRSRBGAUORYES-OAHLLOKOSA-N 1 1 301.752 3.523 20 30 DHEDMO C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001136768971 1030380503 /nfs/dbraw/zinc/38/05/03/1030380503.db2.gz VMBHXIHNTMHIQO-UHOSZYNNSA-N 1 1 318.505 3.702 20 30 DHEDMO CC[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1ccc(F)cc1O ZINC000866618065 1030407527 /nfs/dbraw/zinc/40/75/27/1030407527.db2.gz VDCKMFOLBRFSLA-WMZOPIPTSA-N 1 1 310.372 3.611 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1C#N ZINC000533538498 1030414218 /nfs/dbraw/zinc/41/42/18/1030414218.db2.gz ZRKABQUTFSZMFC-QGZVFWFLSA-N 1 1 324.399 3.771 20 30 DHEDMO CCCCn1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c(C)n1 ZINC000358552282 1030532675 /nfs/dbraw/zinc/53/26/75/1030532675.db2.gz DSNOWMFFWPHPJU-AWEZNQCLSA-N 1 1 314.408 3.853 20 30 DHEDMO C[C@@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000358562503 1030536608 /nfs/dbraw/zinc/53/66/08/1030536608.db2.gz GXSOZIMIEZZAJY-CRAIPNDOSA-N 1 1 323.415 3.622 20 30 DHEDMO C[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000358562503 1030536620 /nfs/dbraw/zinc/53/66/20/1030536620.db2.gz GXSOZIMIEZZAJY-CRAIPNDOSA-N 1 1 323.415 3.622 20 30 DHEDMO N#Cc1cccc2c1CC[C@H]2Nc1cc(N)cc(C(F)(F)F)[nH+]1 ZINC001171061151 1030597271 /nfs/dbraw/zinc/59/72/71/1030597271.db2.gz OZXWXWNTCKCNRE-CYBMUJFWSA-N 1 1 318.302 3.654 20 30 DHEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2CCCSCC#N)c1 ZINC000074991627 1030627853 /nfs/dbraw/zinc/62/78/53/1030627853.db2.gz FGHGSOFPYBYRAI-QGZVFWFLSA-N 1 1 303.475 3.536 20 30 DHEDMO CCC[N@@H+](CCCO[C@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC000358809473 1030633230 /nfs/dbraw/zinc/63/32/30/1030633230.db2.gz UCUMCHOAZLYAQH-IBGZPJMESA-N 1 1 316.445 3.704 20 30 DHEDMO C#CC[N@H+](Cc1cncc(Br)c1C)C1CCCC1 ZINC000824902587 1030664145 /nfs/dbraw/zinc/66/41/45/1030664145.db2.gz ZBPWZVJAZBEKSU-UHFFFAOYSA-N 1 1 307.235 3.530 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](CC)c1ccccc1OCC ZINC000358923526 1030678206 /nfs/dbraw/zinc/67/82/06/1030678206.db2.gz WIBKWLCOHNINFH-KRWDZBQOSA-N 1 1 318.461 3.551 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@@H]2C)cc1OCCCC#N ZINC000247250496 1030683957 /nfs/dbraw/zinc/68/39/57/1030683957.db2.gz XEUASZIHFKELJC-GJZGRUSLSA-N 1 1 302.418 3.608 20 30 DHEDMO C=CCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CCCC1 ZINC000825079408 1030721914 /nfs/dbraw/zinc/72/19/14/1030721914.db2.gz RZSKCYIPRPIICO-UHFFFAOYSA-N 1 1 320.389 3.535 20 30 DHEDMO C#Cc1cccc(C[NH2+]Cc2c(C)nn(CCCC)c2Cl)c1 ZINC000825226564 1030751977 /nfs/dbraw/zinc/75/19/77/1030751977.db2.gz JYYDLMDQTOJGLH-UHFFFAOYSA-N 1 1 315.848 3.916 20 30 DHEDMO C=CC[N@@H+](Cc1nc([C@@H](C)OCC)no1)CC1CCCCC1 ZINC000076730016 1030816013 /nfs/dbraw/zinc/81/60/13/1030816013.db2.gz ADVBWGLUGYMJNO-CQSZACIVSA-N 1 1 307.438 3.735 20 30 DHEDMO C=CC[N@H+](Cc1nc([C@@H](C)OCC)no1)CC1CCCCC1 ZINC000076730016 1030816035 /nfs/dbraw/zinc/81/60/35/1030816035.db2.gz ADVBWGLUGYMJNO-CQSZACIVSA-N 1 1 307.438 3.735 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CC[C@](F)(c3ccccc3F)C2)cc1 ZINC000558863590 1030879573 /nfs/dbraw/zinc/87/95/73/1030879573.db2.gz AJSGKTBWHFPYNU-LJQANCHMSA-N 1 1 312.363 3.962 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CC[C@](F)(c3ccccc3F)C2)cc1 ZINC000558863590 1030879592 /nfs/dbraw/zinc/87/95/92/1030879592.db2.gz AJSGKTBWHFPYNU-LJQANCHMSA-N 1 1 312.363 3.962 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(CNc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000067710826 1030918742 /nfs/dbraw/zinc/91/87/42/1030918742.db2.gz JISXWVHUTBBIBD-UHFFFAOYSA-N 1 1 324.384 3.530 20 30 DHEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1nc3c(s1)CCCC3)CC2 ZINC000926920255 1030995882 /nfs/dbraw/zinc/99/58/82/1030995882.db2.gz QUZBKRDXWWNCCQ-OAHLLOKOSA-N 1 1 309.438 3.671 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)c(OC(F)(F)F)c1 ZINC001143878939 1031040797 /nfs/dbraw/zinc/04/07/97/1031040797.db2.gz QAXZWRGMBDQVMG-UHFFFAOYSA-N 1 1 303.324 3.992 20 30 DHEDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000844357814 1031083705 /nfs/dbraw/zinc/08/37/05/1031083705.db2.gz QXYXHHOUYHENFK-HXUWFJFHSA-N 1 1 324.399 3.892 20 30 DHEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000359841766 1031159574 /nfs/dbraw/zinc/15/95/74/1031159574.db2.gz PBZLAYCJQIYVML-APWZRJJASA-N 1 1 312.457 3.534 20 30 DHEDMO C[N@H+](Cc1ccc(Cl)cc1C#N)[C@H](CCO)c1ccccc1 ZINC000359855914 1031165718 /nfs/dbraw/zinc/16/57/18/1031165718.db2.gz NFWQTJUKHGRUCP-GOSISDBHSA-N 1 1 314.816 3.767 20 30 DHEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H](CCO)c1ccccc1 ZINC000359855914 1031165728 /nfs/dbraw/zinc/16/57/28/1031165728.db2.gz NFWQTJUKHGRUCP-GOSISDBHSA-N 1 1 314.816 3.767 20 30 DHEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000359867801 1031171558 /nfs/dbraw/zinc/17/15/58/1031171558.db2.gz BIMVGXYHRQNADB-DYVFJYSZSA-N 1 1 305.853 3.516 20 30 DHEDMO C=CC[NH+](CC=C)Cc1ccc(OC)cc1OC(F)(F)F ZINC001144057012 1031219504 /nfs/dbraw/zinc/21/95/04/1031219504.db2.gz RPTUPRZEUVMELQ-UHFFFAOYSA-N 1 1 301.308 3.768 20 30 DHEDMO N#Cc1cncc(C[N@@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)c1 ZINC001144085675 1031221916 /nfs/dbraw/zinc/22/19/16/1031221916.db2.gz AQCAONQGLCPVAM-HXUWFJFHSA-N 1 1 321.399 3.572 20 30 DHEDMO COC(=O)c1cccc(C[N@@H+]2CCC[C@H]2c2ccccc2)c1C#N ZINC000533776601 1031284611 /nfs/dbraw/zinc/28/46/11/1031284611.db2.gz HFSZJIMKCHFJKB-IBGZPJMESA-N 1 1 320.392 3.682 20 30 DHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2c2ccccc2)c1C#N ZINC000533776601 1031284624 /nfs/dbraw/zinc/28/46/24/1031284624.db2.gz HFSZJIMKCHFJKB-IBGZPJMESA-N 1 1 320.392 3.682 20 30 DHEDMO C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(CCC#N)cc1 ZINC000928404527 1031312576 /nfs/dbraw/zinc/31/25/76/1031312576.db2.gz NNKOZIXWRUIOCK-UHFFFAOYSA-N 1 1 313.426 3.518 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(-n2cccc2)cc1 ZINC001144247294 1031369715 /nfs/dbraw/zinc/36/97/15/1031369715.db2.gz VXPDRCYMLQRAEF-UHFFFAOYSA-N 1 1 301.393 3.981 20 30 DHEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CCCSCC#N)c1 ZINC000360465950 1031439490 /nfs/dbraw/zinc/43/94/90/1031439490.db2.gz HVODJXKMAJSZNU-RHSMWYFYSA-N 1 1 304.459 3.725 20 30 DHEDMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000872095067 1031490817 /nfs/dbraw/zinc/49/08/17/1031490817.db2.gz KURIHGVPUJVKMM-KFKAGJAMSA-N 1 1 315.436 3.587 20 30 DHEDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000293522601 1031501233 /nfs/dbraw/zinc/50/12/33/1031501233.db2.gz IRKXFERAHAERQP-KBPBESRZSA-N 1 1 312.335 3.752 20 30 DHEDMO C=CCCC[NH2+][C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000537108892 1031508726 /nfs/dbraw/zinc/50/87/26/1031508726.db2.gz NQXFZPSUWAIKPT-INIZCTEOSA-N 1 1 319.468 3.584 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)cc1C(F)(F)F ZINC001144391563 1031512354 /nfs/dbraw/zinc/51/23/54/1031512354.db2.gz PPNCFPLBEQFCIA-UOJUARBOSA-N 1 1 310.319 3.678 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)cc1C(F)(F)F ZINC001144391563 1031512361 /nfs/dbraw/zinc/51/23/61/1031512361.db2.gz PPNCFPLBEQFCIA-UOJUARBOSA-N 1 1 310.319 3.678 20 30 DHEDMO CC(C)Cc1ncc(C[NH2+]Cc2cc(C#N)ccc2F)s1 ZINC000772920492 1031518127 /nfs/dbraw/zinc/51/81/27/1031518127.db2.gz GJMKPIAMOAZXBC-UHFFFAOYSA-N 1 1 303.406 3.642 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(Cc2c[nH]c3cc(C)ccc23)no1 ZINC000872175082 1031549857 /nfs/dbraw/zinc/54/98/57/1031549857.db2.gz NVJYFRBCFJOICD-CYBMUJFWSA-N 1 1 316.792 3.593 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(C(C)(F)F)cc2)no1 ZINC000872182431 1031554314 /nfs/dbraw/zinc/55/43/14/1031554314.db2.gz LSTLITQMZUIUOK-LLVKDONJSA-N 1 1 313.735 3.991 20 30 DHEDMO N#Cc1c(C[N@H+]2CCC[C@H](OC3CCC3)CC2)cn2ccccc12 ZINC000872276921 1031570368 /nfs/dbraw/zinc/57/03/68/1031570368.db2.gz UIOASUZRTCCUPA-SFHVURJKSA-N 1 1 323.440 3.735 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2NCCC[NH+]1CCCCC1 ZINC000360832063 1031579140 /nfs/dbraw/zinc/57/91/40/1031579140.db2.gz FVOIWBLXINEXIP-FQEVSTJZSA-N 1 1 311.473 3.791 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCN1CCCCC1 ZINC000360832063 1031579154 /nfs/dbraw/zinc/57/91/54/1031579154.db2.gz FVOIWBLXINEXIP-FQEVSTJZSA-N 1 1 311.473 3.791 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCc1cccnc1 ZINC000929756550 1031600940 /nfs/dbraw/zinc/60/09/40/1031600940.db2.gz HLFAWSKJSJFYAB-VQTJNVASSA-N 1 1 305.425 3.786 20 30 DHEDMO C=CCn1cccc1C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000360937387 1031632176 /nfs/dbraw/zinc/63/21/76/1031632176.db2.gz KDWQKEDFWGKYMU-UHFFFAOYSA-N 1 1 320.396 3.729 20 30 DHEDMO C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCC[C@@H]1C#N ZINC000872680186 1031642471 /nfs/dbraw/zinc/64/24/71/1031642471.db2.gz CWFYOFSXTPAVEY-DOMZBBRYSA-N 1 1 302.418 3.519 20 30 DHEDMO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCC[C@@H]1C#N ZINC000872680186 1031642478 /nfs/dbraw/zinc/64/24/78/1031642478.db2.gz CWFYOFSXTPAVEY-DOMZBBRYSA-N 1 1 302.418 3.519 20 30 DHEDMO COc1ccc2ccc(O)c(C[N@@H+](C)[C@@H]3CCC[C@@H]3C#N)c2c1 ZINC000872681058 1031643514 /nfs/dbraw/zinc/64/35/14/1031643514.db2.gz DOOCVCUJOUGNBD-RDTXWAMCSA-N 1 1 310.397 3.678 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@H+](Cc3ccc4occc4c3)CCO2)cc1 ZINC000897595588 1031675615 /nfs/dbraw/zinc/67/56/15/1031675615.db2.gz CQXOSGHDPBNXBB-FQEVSTJZSA-N 1 1 318.376 3.878 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@@H+](Cc3ccc4occc4c3)CCO2)cc1 ZINC000897595588 1031675617 /nfs/dbraw/zinc/67/56/17/1031675617.db2.gz CQXOSGHDPBNXBB-FQEVSTJZSA-N 1 1 318.376 3.878 20 30 DHEDMO C[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C[C@H]1n1ccnc1 ZINC000930053689 1031685624 /nfs/dbraw/zinc/68/56/24/1031685624.db2.gz BXGMYVNCXCFOJE-DLBZAZTESA-N 1 1 300.450 3.630 20 30 DHEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1c(C)cc(C#N)cc1C ZINC000930126280 1031706096 /nfs/dbraw/zinc/70/60/96/1031706096.db2.gz NESPMVWNTBDOSP-GOSISDBHSA-N 1 1 308.429 3.852 20 30 DHEDMO C#Cc1ccc(C[NH+]2CCN([C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC001144581275 1031719862 /nfs/dbraw/zinc/71/98/62/1031719862.db2.gz OCWMYTSKPNKKHZ-KRWDZBQOSA-N 1 1 322.427 3.686 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)no3)C2)cc1 ZINC001144576616 1031726046 /nfs/dbraw/zinc/72/60/46/1031726046.db2.gz QBSUZFSGKVUNII-QGZVFWFLSA-N 1 1 309.413 3.554 20 30 DHEDMO Cc1cc(C#N)nc(Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n1 ZINC000561136549 1031744967 /nfs/dbraw/zinc/74/49/67/1031744967.db2.gz COEUNXOEDIRIQY-OAHLLOKOSA-N 1 1 321.428 3.775 20 30 DHEDMO Cc1cc(C[N@H+](C)Cc2cc(C#N)cs2)c2c(n1)CCCC2 ZINC000897624500 1031746580 /nfs/dbraw/zinc/74/65/80/1031746580.db2.gz MDYJTIGNDDXELZ-UHFFFAOYSA-N 1 1 311.454 3.834 20 30 DHEDMO Cc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)c2c(n1)CCCC2 ZINC000897624500 1031746590 /nfs/dbraw/zinc/74/65/90/1031746590.db2.gz MDYJTIGNDDXELZ-UHFFFAOYSA-N 1 1 311.454 3.834 20 30 DHEDMO CCOc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)cc1F ZINC000897624275 1031747062 /nfs/dbraw/zinc/74/70/62/1031747062.db2.gz GNIBLHUKKAYNAD-UHFFFAOYSA-N 1 1 304.390 3.790 20 30 DHEDMO CCOc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1F ZINC000897624275 1031747078 /nfs/dbraw/zinc/74/70/78/1031747078.db2.gz GNIBLHUKKAYNAD-UHFFFAOYSA-N 1 1 304.390 3.790 20 30 DHEDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cncc(C#N)c1 ZINC000929139530 1031757737 /nfs/dbraw/zinc/75/77/37/1031757737.db2.gz SFSURGFITYAAHP-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cncc(C#N)c1 ZINC000929139530 1031757755 /nfs/dbraw/zinc/75/77/55/1031757755.db2.gz SFSURGFITYAAHP-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C#CC[N@@H+](Cc1cc2cnccc2o1)[C@H]1CCc2ccccc21 ZINC000845902561 1031769022 /nfs/dbraw/zinc/76/90/22/1031769022.db2.gz GZSWGLNSVCIRNC-IBGZPJMESA-N 1 1 302.377 3.951 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CC2CCC(C#N)CC2)C1 ZINC000930299610 1031771512 /nfs/dbraw/zinc/77/15/12/1031771512.db2.gz HDWNDAAJZZNSJM-FSFBDPGSSA-N 1 1 318.505 3.968 20 30 DHEDMO C[N@@H+](CCCOCc1ccccc1)CC1CCC(C#N)CC1 ZINC000930317978 1031777857 /nfs/dbraw/zinc/77/78/57/1031777857.db2.gz XBGOIOGOSKTABG-UHFFFAOYSA-N 1 1 300.446 3.855 20 30 DHEDMO Cc1ccc(C#N)c(Nc2cccc(CC[N@H+](C)C3CC3)c2)n1 ZINC000561286557 1031803923 /nfs/dbraw/zinc/80/39/23/1031803923.db2.gz QEKPZEVWYSKAAR-UHFFFAOYSA-N 1 1 306.413 3.642 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001171210947 1031857080 /nfs/dbraw/zinc/85/70/80/1031857080.db2.gz XTEZTQHAFLKTEL-WFASDCNBSA-N 1 1 314.326 3.713 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000846110106 1031859733 /nfs/dbraw/zinc/85/97/33/1031859733.db2.gz ZBOWBCSZKFIBTC-KRWDZBQOSA-N 1 1 319.399 3.658 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000930572960 1031873984 /nfs/dbraw/zinc/87/39/84/1031873984.db2.gz RTSQONYSJQSWES-UHFFFAOYSA-N 1 1 303.409 3.859 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000930588868 1031877791 /nfs/dbraw/zinc/87/77/91/1031877791.db2.gz OQQRFEGMXHILOT-LJQANCHMSA-N 1 1 322.456 3.534 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)CCC1 ZINC000930613203 1031889659 /nfs/dbraw/zinc/88/96/59/1031889659.db2.gz YAYRGIQRFKMZLS-RCCFBDPRSA-N 1 1 304.478 3.866 20 30 DHEDMO CC(C)n1cc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)cn1 ZINC001137072606 1031932233 /nfs/dbraw/zinc/93/22/33/1031932233.db2.gz ABVRRGIAWDEXCO-UHFFFAOYSA-N 1 1 308.429 3.521 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)CCC(=O)c1ccccc1 ZINC001171223005 1031963854 /nfs/dbraw/zinc/96/38/54/1031963854.db2.gz LEUGREQKCFYGKH-INIZCTEOSA-N 1 1 306.409 3.694 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001171221765 1031964387 /nfs/dbraw/zinc/96/43/87/1031964387.db2.gz UKVHOOQMOKERIY-JXFKEZNVSA-N 1 1 305.425 3.591 20 30 DHEDMO COc1ccc(C[C@@H]2CCCC[N@H+]2Cc2cncc(C#N)c2)cc1 ZINC000930855287 1031965214 /nfs/dbraw/zinc/96/52/14/1031965214.db2.gz NKAJGHOVXPCPSD-IBGZPJMESA-N 1 1 321.424 3.559 20 30 DHEDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000361543213 1031978514 /nfs/dbraw/zinc/97/85/14/1031978514.db2.gz LUCGCYFCIXNCGZ-MRXNPFEDSA-N 1 1 324.428 3.866 20 30 DHEDMO CC1(C)C[C@H]([N@H+](Cc2ccccc2)Cc2cncc(C#N)c2)CO1 ZINC000930928973 1031985552 /nfs/dbraw/zinc/98/55/52/1031985552.db2.gz VVPMMPMCXMBFCH-IBGZPJMESA-N 1 1 321.424 3.523 20 30 DHEDMO CC1(C)C[C@H]([N@@H+](Cc2ccccc2)Cc2cncc(C#N)c2)CO1 ZINC000930928973 1031985564 /nfs/dbraw/zinc/98/55/64/1031985564.db2.gz VVPMMPMCXMBFCH-IBGZPJMESA-N 1 1 321.424 3.523 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001171231205 1031999061 /nfs/dbraw/zinc/99/90/61/1031999061.db2.gz IAVQGABPKBNXRO-JXFKEZNVSA-N 1 1 318.420 3.694 20 30 DHEDMO COc1cccc([C@@H]2CC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171231880 1031999791 /nfs/dbraw/zinc/99/97/91/1031999791.db2.gz NEEWTTVIGVAZPH-OXJNMPFZSA-N 1 1 320.436 3.987 20 30 DHEDMO C=C(C)CONC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000846535457 1032001945 /nfs/dbraw/zinc/00/19/45/1032001945.db2.gz ANGGEFVJLMGNRB-UHFFFAOYSA-N 1 1 324.424 3.556 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC(=O)[C@@H](C)C12CCCC2 ZINC001171231714 1032002419 /nfs/dbraw/zinc/00/24/19/1032002419.db2.gz LIQMBHOONVILPR-JKSUJKDBSA-N 1 1 310.441 3.713 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000877484915 1033316371 /nfs/dbraw/zinc/31/63/71/1033316371.db2.gz HQMIAARYPMOMPE-HUUCEWRRSA-N 1 1 315.417 3.576 20 30 DHEDMO C=C(CC)C[NH2+][C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000539313779 1033316570 /nfs/dbraw/zinc/31/65/70/1033316570.db2.gz IXOPRSPJOMWSGP-MRXNPFEDSA-N 1 1 319.468 3.584 20 30 DHEDMO CC[N@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)CC(C)C ZINC000338392368 1033336602 /nfs/dbraw/zinc/33/66/02/1033336602.db2.gz HIEDXYFBXCVEEQ-UHFFFAOYSA-N 1 1 315.461 3.528 20 30 DHEDMO C[N@@H+](C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)CC(C)(C)C#N ZINC000877548763 1033349023 /nfs/dbraw/zinc/34/90/23/1033349023.db2.gz ARCFBZWULMOPNM-OAHLLOKOSA-N 1 1 323.481 3.505 20 30 DHEDMO CN(C)c1ccc(C#N)cc1C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000877548595 1033349487 /nfs/dbraw/zinc/34/94/87/1033349487.db2.gz NGNVTJOVNSJSAV-LJQANCHMSA-N 1 1 320.440 3.602 20 30 DHEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000877548595 1033349494 /nfs/dbraw/zinc/34/94/94/1033349494.db2.gz NGNVTJOVNSJSAV-LJQANCHMSA-N 1 1 320.440 3.602 20 30 DHEDMO C[N@@H+](C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)CC(C)(C)C#N ZINC000877548762 1033349899 /nfs/dbraw/zinc/34/98/99/1033349899.db2.gz ARCFBZWULMOPNM-HNNXBMFYSA-N 1 1 323.481 3.505 20 30 DHEDMO COc1cccc([C@@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)c1 ZINC001137122545 1033365514 /nfs/dbraw/zinc/36/55/14/1033365514.db2.gz GQEYTCNTERTWIK-GOSISDBHSA-N 1 1 322.408 3.587 20 30 DHEDMO CC(C)(C)OC(=O)Nc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000877637673 1033390849 /nfs/dbraw/zinc/39/08/49/1033390849.db2.gz YYQYBDAQTVWOBV-GOSISDBHSA-N 1 1 315.417 3.769 20 30 DHEDMO CC(C)(C)OC(=O)Nc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000877637673 1033390863 /nfs/dbraw/zinc/39/08/63/1033390863.db2.gz YYQYBDAQTVWOBV-GOSISDBHSA-N 1 1 315.417 3.769 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1CCOc2ccccc21 ZINC000877703626 1033419418 /nfs/dbraw/zinc/41/94/18/1033419418.db2.gz BKIAVXGBJBXOCG-SFHVURJKSA-N 1 1 306.409 3.599 20 30 DHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)[nH]n1 ZINC000877783622 1033452098 /nfs/dbraw/zinc/45/20/98/1033452098.db2.gz BPIYGIJJQXJWMK-KRWDZBQOSA-N 1 1 308.429 3.784 20 30 DHEDMO CC(C)c1cc([C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)n[nH]1 ZINC000877783622 1033452105 /nfs/dbraw/zinc/45/21/05/1033452105.db2.gz BPIYGIJJQXJWMK-KRWDZBQOSA-N 1 1 308.429 3.784 20 30 DHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)n[nH]1 ZINC000877783622 1033452110 /nfs/dbraw/zinc/45/21/10/1033452110.db2.gz BPIYGIJJQXJWMK-KRWDZBQOSA-N 1 1 308.429 3.784 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@]3(CCc4ccccc43)C2)c1 ZINC000877810437 1033459076 /nfs/dbraw/zinc/45/90/76/1033459076.db2.gz FEOJBGAMCSFCKU-IBGZPJMESA-N 1 1 323.827 3.697 20 30 DHEDMO CCC(CC)[N@@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988494 1033490922 /nfs/dbraw/zinc/49/09/22/1033490922.db2.gz BQJWPXKWLLWJOX-CVEARBPZSA-N 1 1 323.481 3.789 20 30 DHEDMO CCC[N@@H+](CC(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172990471 1033490994 /nfs/dbraw/zinc/49/09/94/1033490994.db2.gz OHFHKVGGXHUBOI-CVEARBPZSA-N 1 1 323.481 3.646 20 30 DHEDMO CCCC[N@@H+](CCC)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172986492 1033491241 /nfs/dbraw/zinc/49/12/41/1033491241.db2.gz XAQOJJUKCPNKJM-HOTGVXAUSA-N 1 1 323.481 3.790 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)CC1CCCCC1)c1ccccc1 ZINC000877898835 1033502555 /nfs/dbraw/zinc/50/25/55/1033502555.db2.gz FYPDUEZANBTZIF-FQEVSTJZSA-N 1 1 312.457 3.939 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000877934047 1033520983 /nfs/dbraw/zinc/52/09/83/1033520983.db2.gz ZXGKGGGQEZEQDO-HXUWFJFHSA-N 1 1 306.409 3.559 20 30 DHEDMO C#CCCCCC[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000877995363 1033547889 /nfs/dbraw/zinc/54/78/89/1033547889.db2.gz DYZGGHNHMCULKW-UHFFFAOYSA-N 1 1 300.446 3.676 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+](C1CC1)C1CCCC1)c1ccccc1 ZINC000878085458 1033574626 /nfs/dbraw/zinc/57/46/26/1033574626.db2.gz MCMVFEZKRVPLJQ-HXUWFJFHSA-N 1 1 310.441 3.834 20 30 DHEDMO C#CCCCCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000878218606 1033625610 /nfs/dbraw/zinc/62/56/10/1033625610.db2.gz VAVPVLBEHUXZEA-UHFFFAOYSA-N 1 1 311.429 3.739 20 30 DHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@H]1CC[C@@H](CC)C1)C2 ZINC001173274350 1033645089 /nfs/dbraw/zinc/64/50/89/1033645089.db2.gz DOWZZEBNIZNOJL-FCGDIQPGSA-N 1 1 307.478 3.639 20 30 DHEDMO CCSC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001173305981 1033658244 /nfs/dbraw/zinc/65/82/44/1033658244.db2.gz CQEFSYLEAFMJRJ-GDBMZVCRSA-N 1 1 304.459 3.543 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](CC[C@@H]3CCCC3(F)F)CCO2)c1 ZINC000878322484 1033659214 /nfs/dbraw/zinc/65/92/14/1033659214.db2.gz JRJPHABMMVQZLS-DLBZAZTESA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)CCO2)c1 ZINC000878322484 1033659222 /nfs/dbraw/zinc/65/92/22/1033659222.db2.gz JRJPHABMMVQZLS-DLBZAZTESA-N 1 1 320.383 3.757 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@H](C)C2(CCC2)C1)c1ccccc1 ZINC000878337101 1033664103 /nfs/dbraw/zinc/66/41/03/1033664103.db2.gz BVIGHUXRNOXORC-UWJYYQICSA-N 1 1 324.468 3.939 20 30 DHEDMO CC[C@H](CSC)[N@@H+](C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878343587 1033664210 /nfs/dbraw/zinc/66/42/10/1033664210.db2.gz FTIITGRGUVLILH-MSOLQXFVSA-N 1 1 318.486 3.500 20 30 DHEDMO CC[N@H+](Cc1ccccc1Cl)C[C@@H](O)c1ccc(C#N)cc1 ZINC000127079868 1033674882 /nfs/dbraw/zinc/67/48/82/1033674882.db2.gz VLKJHKIHPJKZTN-GOSISDBHSA-N 1 1 314.816 3.767 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCc3ccc(OC)cc3C2)CC1 ZINC001173321911 1033685894 /nfs/dbraw/zinc/68/58/94/1033685894.db2.gz RVNSAPSAOZONBN-UHFFFAOYSA-N 1 1 301.430 3.567 20 30 DHEDMO COc1ccc(C[N@@H+](C)C2CCC(CC#N)CC2)cc1OC ZINC001173339978 1033694351 /nfs/dbraw/zinc/69/43/51/1033694351.db2.gz WVKVWGXTVKPCAM-UHFFFAOYSA-N 1 1 302.418 3.608 20 30 DHEDMO CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1C1CCC(CC#N)CC1 ZINC001173338173 1033694842 /nfs/dbraw/zinc/69/48/42/1033694842.db2.gz ANRSTCWGPKHORL-UYSNPLJNSA-N 1 1 306.450 3.655 20 30 DHEDMO CC[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000127105047 1033696370 /nfs/dbraw/zinc/69/63/70/1033696370.db2.gz FAOKVWAMTMVYFI-GOSISDBHSA-N 1 1 314.816 3.767 20 30 DHEDMO N#CCC1CCC([N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001173340933 1033697349 /nfs/dbraw/zinc/69/73/49/1033697349.db2.gz NLTMHUWUWIFKFY-NLPFYKDJSA-N 1 1 323.440 3.874 20 30 DHEDMO N#CCC1CCC([N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001173341172 1033697381 /nfs/dbraw/zinc/69/73/81/1033697381.db2.gz QKRIMWLMJOSWHE-OPWVIFHQSA-N 1 1 323.484 3.665 20 30 DHEDMO C=CC(C)(C)CC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000878419237 1033700792 /nfs/dbraw/zinc/70/07/92/1033700792.db2.gz VPRHPPUGWDAPPX-UHFFFAOYSA-N 1 1 315.392 3.538 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](C)C(C)(C)C1)c1ccccc1 ZINC000878432826 1033703918 /nfs/dbraw/zinc/70/39/18/1033703918.db2.gz KEMMWHCDJZOELW-OXQOHEQNSA-N 1 1 312.457 3.795 20 30 DHEDMO C#CCCCCC[N@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000878504525 1033728756 /nfs/dbraw/zinc/72/87/56/1033728756.db2.gz LALBLRDPBDZWOG-OAHLLOKOSA-N 1 1 320.458 3.650 20 30 DHEDMO C#CCCCCC[N@@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000878504525 1033728771 /nfs/dbraw/zinc/72/87/71/1033728771.db2.gz LALBLRDPBDZWOG-OAHLLOKOSA-N 1 1 320.458 3.650 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000829768621 1033737656 /nfs/dbraw/zinc/73/76/56/1033737656.db2.gz HWENKANIDJROLL-CYBMUJFWSA-N 1 1 315.804 3.625 20 30 DHEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000878545916 1033744772 /nfs/dbraw/zinc/74/47/72/1033744772.db2.gz PIWDXTKNPQQQCB-OAHLLOKOSA-N 1 1 320.502 3.679 20 30 DHEDMO COc1ccc(C[N@@H+](C)C2CCC(C)(C#N)CC2)cc1OC ZINC001173596274 1033779910 /nfs/dbraw/zinc/77/99/10/1033779910.db2.gz QDGXEJYWCOXOQP-UHFFFAOYSA-N 1 1 302.418 3.608 20 30 DHEDMO CC1(C#N)CCC([N@@H+](Cc2cccnc2)Cc2ccccn2)CC1 ZINC001173596318 1033781820 /nfs/dbraw/zinc/78/18/20/1033781820.db2.gz RTTSBVQBUHFJSU-UHFFFAOYSA-N 1 1 320.440 3.951 20 30 DHEDMO CC1(C#N)CCC([N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001173598559 1033783153 /nfs/dbraw/zinc/78/31/53/1033783153.db2.gz QSUOVYIYMXOFOJ-ZCDVPAHGSA-N 1 1 320.383 3.811 20 30 DHEDMO C[N@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)CC(C)(C)C#N ZINC000878651327 1033783185 /nfs/dbraw/zinc/78/31/85/1033783185.db2.gz ZSUQCHPZVBLRCX-CYBMUJFWSA-N 1 1 301.217 3.508 20 30 DHEDMO C[N@@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)CC(C)(C)C#N ZINC000878651327 1033783196 /nfs/dbraw/zinc/78/31/96/1033783196.db2.gz ZSUQCHPZVBLRCX-CYBMUJFWSA-N 1 1 301.217 3.508 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001173598559 1033783161 /nfs/dbraw/zinc/78/31/61/1033783161.db2.gz QSUOVYIYMXOFOJ-ZCDVPAHGSA-N 1 1 320.383 3.811 20 30 DHEDMO C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CCC(C)(C#N)CC1 ZINC001173600614 1033786179 /nfs/dbraw/zinc/78/61/79/1033786179.db2.gz GRJOPDVOBPDJMF-UHFFFAOYSA-N 1 1 308.429 3.777 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001173601044 1033786374 /nfs/dbraw/zinc/78/63/74/1033786374.db2.gz NUOPJEDAMYPLDX-AWAWDMARSA-N 1 1 312.339 3.815 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001173601417 1033786726 /nfs/dbraw/zinc/78/67/26/1033786726.db2.gz SRYVGSAILKWOPZ-OSIBBQKWSA-N 1 1 323.484 3.665 20 30 DHEDMO C#CCCCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000878814547 1033836101 /nfs/dbraw/zinc/83/61/01/1033836101.db2.gz OBOJWLQJLUTWOQ-CVEARBPZSA-N 1 1 308.466 3.558 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000878843689 1033841424 /nfs/dbraw/zinc/84/14/24/1033841424.db2.gz GCQVNUCXAXKAPI-OAHLLOKOSA-N 1 1 317.392 3.735 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000878843689 1033841439 /nfs/dbraw/zinc/84/14/39/1033841439.db2.gz GCQVNUCXAXKAPI-OAHLLOKOSA-N 1 1 317.392 3.735 20 30 DHEDMO C#CC[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000862443000 1033855687 /nfs/dbraw/zinc/85/56/87/1033855687.db2.gz KFUJCHGTUSSFSS-KRWDZBQOSA-N 1 1 306.409 3.506 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000862446818 1033858453 /nfs/dbraw/zinc/85/84/53/1033858453.db2.gz FUQIIVDCSFUZPZ-HNNXBMFYSA-N 1 1 310.372 3.858 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000553878415 1033867493 /nfs/dbraw/zinc/86/74/93/1033867493.db2.gz FBNWSHSUEPTWIJ-KRWDZBQOSA-N 1 1 319.832 3.567 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000862542104 1033883260 /nfs/dbraw/zinc/88/32/60/1033883260.db2.gz FIUNGBSXIOHZTF-UHFFFAOYSA-N 1 1 312.800 3.670 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1C[C@@H]2CCCC[C@@]21C)c1ccccc1 ZINC000879062214 1033911207 /nfs/dbraw/zinc/91/12/07/1033911207.db2.gz HZFZYQILGGYWGM-SLFFLAALSA-N 1 1 310.441 3.692 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2ccc(C#N)o2)C1 ZINC000174272040 1033919914 /nfs/dbraw/zinc/91/99/14/1033919914.db2.gz YWWSMRMGUFCYPO-INIZCTEOSA-N 1 1 323.440 3.673 20 30 DHEDMO Cc1ncc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)s1 ZINC000879251242 1033963893 /nfs/dbraw/zinc/96/38/93/1033963893.db2.gz HQMGGHJZYHGNAI-SNVBAGLBSA-N 1 1 321.833 3.858 20 30 DHEDMO CCCCCCCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000119240147 1033979560 /nfs/dbraw/zinc/97/95/60/1033979560.db2.gz PZGWUXXWWQIVJC-AEFFLSMTSA-N 1 1 306.494 3.822 20 30 DHEDMO C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)[C@H]1CCC[C@@H]1C#N ZINC000879308345 1033979963 /nfs/dbraw/zinc/97/99/63/1033979963.db2.gz AJBMGLFJDWBBSQ-CVEARBPZSA-N 1 1 323.481 3.696 20 30 DHEDMO COc1ccc([C@H]2C[N@H+](CCCCC(C)(C)C#N)CCO2)cc1 ZINC000879637222 1034067031 /nfs/dbraw/zinc/06/70/31/1034067031.db2.gz VNTMTPAMVLYLTP-GOSISDBHSA-N 1 1 316.445 3.789 20 30 DHEDMO COc1ccc([C@H]2C[N@@H+](CCCCC(C)(C)C#N)CCO2)cc1 ZINC000879637222 1034067048 /nfs/dbraw/zinc/06/70/48/1034067048.db2.gz VNTMTPAMVLYLTP-GOSISDBHSA-N 1 1 316.445 3.789 20 30 DHEDMO COc1ccc([C@@H]2C[N@H+](CCCCC(C)(C)C#N)CCO2)cc1 ZINC000879637223 1034068129 /nfs/dbraw/zinc/06/81/29/1034068129.db2.gz VNTMTPAMVLYLTP-SFHVURJKSA-N 1 1 316.445 3.789 20 30 DHEDMO COc1ccc([C@@H]2C[N@@H+](CCCCC(C)(C)C#N)CCO2)cc1 ZINC000879637223 1034068138 /nfs/dbraw/zinc/06/81/38/1034068138.db2.gz VNTMTPAMVLYLTP-SFHVURJKSA-N 1 1 316.445 3.789 20 30 DHEDMO CC1(C)[C@H](c2ccccc2F)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000879640078 1034068207 /nfs/dbraw/zinc/06/82/07/1034068207.db2.gz FQKQLWGOWCOWSN-AWEZNQCLSA-N 1 1 315.417 3.922 20 30 DHEDMO CC1(C)[C@H](c2ccccc2F)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000879640078 1034068221 /nfs/dbraw/zinc/06/82/21/1034068221.db2.gz FQKQLWGOWCOWSN-AWEZNQCLSA-N 1 1 315.417 3.922 20 30 DHEDMO Cc1cc(C[NH2+]C[C@@H](C#N)CCC#N)c(C)n1-c1cccc(C)c1 ZINC000863387747 1034082329 /nfs/dbraw/zinc/08/23/29/1034082329.db2.gz JIDZOWCVDLSGLL-GOSISDBHSA-N 1 1 320.440 3.936 20 30 DHEDMO COc1ccccc1[C@H]1CCC[N@@H+](Cc2ccncc2C#N)CC1 ZINC000879731684 1034102932 /nfs/dbraw/zinc/10/29/32/1034102932.db2.gz MSVLCMCTWIXFMC-INIZCTEOSA-N 1 1 321.424 3.732 20 30 DHEDMO N#CC1(CCC[N@H+]2CC[C@]3(CCc4ccccc43)C2)CCOCC1 ZINC000879995436 1034173563 /nfs/dbraw/zinc/17/35/63/1034173563.db2.gz DORACJKYLAXWMZ-OAQYLSRUSA-N 1 1 324.468 3.677 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)C1 ZINC000880276746 1034271843 /nfs/dbraw/zinc/27/18/43/1034271843.db2.gz JSTJAHDVJXUSSH-KBAYOESNSA-N 1 1 320.440 3.948 20 30 DHEDMO N#Cc1cc(F)ccc1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174394757 1034319698 /nfs/dbraw/zinc/31/96/98/1034319698.db2.gz MAGHJXBKLPSBFL-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO COc1cc(C#N)ccc1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000179672196 1034325048 /nfs/dbraw/zinc/32/50/48/1034325048.db2.gz FQEMHIULJYKOSE-UHFFFAOYSA-N 1 1 312.800 3.999 20 30 DHEDMO C[C@@H](C#N)c1ccc(Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001174446118 1034390090 /nfs/dbraw/zinc/39/00/90/1034390090.db2.gz YBXPRDQNBDNTLR-INIZCTEOSA-N 1 1 321.424 3.889 20 30 DHEDMO CCCCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000120150426 1034398154 /nfs/dbraw/zinc/39/81/54/1034398154.db2.gz JEFYKNJUSGGKJO-DLBZAZTESA-N 1 1 311.514 3.719 20 30 DHEDMO Cc1csc([C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C2CC2)n1 ZINC000183552605 1034399824 /nfs/dbraw/zinc/39/98/24/1034399824.db2.gz HDAWLMNYGJBFBY-HNNXBMFYSA-N 1 1 301.390 3.703 20 30 DHEDMO Cc1cccc(CCC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000481075381 1034573377 /nfs/dbraw/zinc/57/33/77/1034573377.db2.gz NYUMYWJLDCCXOW-OAQYLSRUSA-N 1 1 320.436 3.873 20 30 DHEDMO Cc1cccc(CCC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000481075381 1034573394 /nfs/dbraw/zinc/57/33/94/1034573394.db2.gz NYUMYWJLDCCXOW-OAQYLSRUSA-N 1 1 320.436 3.873 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+](C(C)C)[C@@H](CC)c2ccccc2)C1=O ZINC001174818383 1034618698 /nfs/dbraw/zinc/61/86/98/1034618698.db2.gz DLMNOXBEKZXPFY-ZWKOTPCHSA-N 1 1 300.446 3.635 20 30 DHEDMO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)o1 ZINC000865417894 1034635542 /nfs/dbraw/zinc/63/55/42/1034635542.db2.gz BFBGLLQPXZZORY-CXAGYDPISA-N 1 1 309.413 3.630 20 30 DHEDMO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)o1 ZINC000865417897 1034636038 /nfs/dbraw/zinc/63/60/38/1034636038.db2.gz BFBGLLQPXZZORY-SUMWQHHRSA-N 1 1 309.413 3.630 20 30 DHEDMO Cc1ccc(F)cc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001174884854 1034637524 /nfs/dbraw/zinc/63/75/24/1034637524.db2.gz WVQOWFMITVNTNO-UHFFFAOYSA-N 1 1 301.390 3.799 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC001174871261 1034657610 /nfs/dbraw/zinc/65/76/10/1034657610.db2.gz AHRGUPHPVWFLNL-LJQANCHMSA-N 1 1 314.429 3.563 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC001174871261 1034657616 /nfs/dbraw/zinc/65/76/16/1034657616.db2.gz AHRGUPHPVWFLNL-LJQANCHMSA-N 1 1 314.429 3.563 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001174992815 1034720041 /nfs/dbraw/zinc/72/00/41/1034720041.db2.gz BANPKFWHNOCXIW-NDXORKPFSA-N 1 1 317.436 3.578 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001174992815 1034720056 /nfs/dbraw/zinc/72/00/56/1034720056.db2.gz BANPKFWHNOCXIW-NDXORKPFSA-N 1 1 317.436 3.578 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001174992815 1034720072 /nfs/dbraw/zinc/72/00/72/1034720072.db2.gz BANPKFWHNOCXIW-NDXORKPFSA-N 1 1 317.436 3.578 20 30 DHEDMO FC(F)(F)CCO[NH+]=Cc1ccccc1N1CCCCC1 ZINC000777460194 1034752544 /nfs/dbraw/zinc/75/25/44/1034752544.db2.gz NHWLLWFNPZEGMG-UHFFFAOYSA-N 1 1 300.324 3.980 20 30 DHEDMO C[C@@H]1CC(=NOCCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000777459368 1034753138 /nfs/dbraw/zinc/75/31/38/1034753138.db2.gz INCYHSUZBVIVNX-CYBMUJFWSA-N 1 1 314.351 3.996 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](Cc1ccc3c(c1)CCC3)C2 ZINC001175062577 1034754590 /nfs/dbraw/zinc/75/45/90/1034754590.db2.gz RRAHUPPISBUCGP-UHFFFAOYSA-N 1 1 302.421 3.800 20 30 DHEDMO COc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc(C(F)(F)F)c1 ZINC000600178956 1034792510 /nfs/dbraw/zinc/79/25/10/1034792510.db2.gz SDSQEBFQSAJTRT-GFCCVEGCSA-N 1 1 312.335 3.840 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)cc(C(F)(F)F)c1 ZINC000600178956 1034792518 /nfs/dbraw/zinc/79/25/18/1034792518.db2.gz SDSQEBFQSAJTRT-GFCCVEGCSA-N 1 1 312.335 3.840 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)o1 ZINC000600183804 1034794004 /nfs/dbraw/zinc/79/40/04/1034794004.db2.gz MHVGAUDFRKMUQG-ZDUSSCGKSA-N 1 1 302.324 3.809 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cccc3[nH]ccc31)C2 ZINC000600213076 1034806187 /nfs/dbraw/zinc/80/61/87/1034806187.db2.gz PVQWHZKXXUQKRZ-UHFFFAOYSA-N 1 1 301.393 3.792 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+](C/C=C/c1ccc(F)cc1)C2 ZINC000600212382 1034806247 /nfs/dbraw/zinc/80/62/47/1034806247.db2.gz CLEFGQPXUADMNL-NSCUHMNNSA-N 1 1 306.384 3.963 20 30 DHEDMO CC#CC[N@@H+](C)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000555750766 1034884214 /nfs/dbraw/zinc/88/42/14/1034884214.db2.gz FKTBESASSKXXTE-UHFFFAOYSA-N 1 1 320.392 3.959 20 30 DHEDMO CC#CC[N@H+](C)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000555750766 1034884219 /nfs/dbraw/zinc/88/42/19/1034884219.db2.gz FKTBESASSKXXTE-UHFFFAOYSA-N 1 1 320.392 3.959 20 30 DHEDMO CC1(C)C[C@H](O)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001175412224 1034972561 /nfs/dbraw/zinc/97/25/61/1034972561.db2.gz ZAESXXHTNULCRB-IBGZPJMESA-N 1 1 320.436 3.818 20 30 DHEDMO N#Cc1cccc(C#N)c1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175504590 1035014163 /nfs/dbraw/zinc/01/41/63/1035014163.db2.gz BVZYXHZGWVHKOF-UHFFFAOYSA-N 1 1 314.392 3.632 20 30 DHEDMO C[N@H+]1CCC=C(Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC001175582446 1035031569 /nfs/dbraw/zinc/03/15/69/1035031569.db2.gz CLIADHXTGBFNMV-UHFFFAOYSA-N 1 1 305.381 3.982 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2Cc3ccccc3N3CCC[C@H]3C2)cc1F ZINC001175670129 1035081093 /nfs/dbraw/zinc/08/10/93/1035081093.db2.gz ZNNWFOZSGCWEAX-SFHVURJKSA-N 1 1 321.399 3.682 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1ccc(-c2scnc2C)cc1 ZINC000668055080 1035116625 /nfs/dbraw/zinc/11/66/25/1035116625.db2.gz QWHVBZAJZZRKQG-UHFFFAOYSA-N 1 1 302.443 3.753 20 30 DHEDMO COc1cccc([C@H]2CC[N@@H+](Cc3cc(C#N)ccn3)C2(C)C)c1 ZINC001175820634 1035135402 /nfs/dbraw/zinc/13/54/02/1035135402.db2.gz FDQQOURGCCKZDM-LJQANCHMSA-N 1 1 321.424 3.730 20 30 DHEDMO CCCO[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000160111683 1035138231 /nfs/dbraw/zinc/13/82/31/1035138231.db2.gz OZPRFMSKHAXNTQ-SFHVURJKSA-N 1 1 305.849 3.973 20 30 DHEDMO C=C(Br)C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160145655 1035139979 /nfs/dbraw/zinc/13/99/79/1035139979.db2.gz NJTYTNTVBGGZRS-UHFFFAOYSA-N 1 1 312.104 3.843 20 30 DHEDMO CC(C)CC[C@H](O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000482743955 1035174789 /nfs/dbraw/zinc/17/47/89/1035174789.db2.gz DXFZDSIBCBCCLU-FHWLQOOXSA-N 1 1 300.446 3.555 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000160380501 1035180206 /nfs/dbraw/zinc/18/02/06/1035180206.db2.gz PTSVLWHAMGQYSK-HXUWFJFHSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000160380501 1035180211 /nfs/dbraw/zinc/18/02/11/1035180211.db2.gz PTSVLWHAMGQYSK-HXUWFJFHSA-N 1 1 324.399 3.569 20 30 DHEDMO CCCC[N@@H+](CC)Cc1cccc(CNc2ccc(C#N)nn2)c1 ZINC000160533990 1035201654 /nfs/dbraw/zinc/20/16/54/1035201654.db2.gz MCXFSNHNVDMQHN-UHFFFAOYSA-N 1 1 323.444 3.582 20 30 DHEDMO C[C@@H]([NH2+]CC#Cc1ccccc1)c1ccc(Br)cn1 ZINC000482986488 1035209999 /nfs/dbraw/zinc/20/99/99/1035209999.db2.gz SLNBIEKOXJAIRJ-CYBMUJFWSA-N 1 1 315.214 3.546 20 30 DHEDMO COC1(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CCCCC1 ZINC000483252321 1035246742 /nfs/dbraw/zinc/24/67/42/1035246742.db2.gz HURQFGRIQMGEHA-UHFFFAOYSA-N 1 1 310.441 3.997 20 30 DHEDMO COc1ccc(Cl)cc1C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000483530660 1035276439 /nfs/dbraw/zinc/27/64/39/1035276439.db2.gz JLBXNAPOSYZYOO-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO COc1ccc(Cl)cc1C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000483530660 1035276442 /nfs/dbraw/zinc/27/64/42/1035276442.db2.gz JLBXNAPOSYZYOO-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO C=C(C)CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000160992710 1035281191 /nfs/dbraw/zinc/28/11/91/1035281191.db2.gz MNHYTZYGMAYUPQ-UHFFFAOYSA-N 1 1 308.425 3.625 20 30 DHEDMO COc1ccc([C@@H](CC(C)C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000903262657 1035294209 /nfs/dbraw/zinc/29/42/09/1035294209.db2.gz GDQNJYWABVUMIF-MRXNPFEDSA-N 1 1 315.442 3.900 20 30 DHEDMO CC(C)(C)[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC001176995140 1035342583 /nfs/dbraw/zinc/34/25/83/1035342583.db2.gz HRWQERFSICAZEB-QGZVFWFLSA-N 1 1 305.849 3.829 20 30 DHEDMO C=C(CC)C[N@H+]1C[C@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001177023063 1035344488 /nfs/dbraw/zinc/34/44/88/1035344488.db2.gz ZLTTTWSNSKSOSC-VQIMIIECSA-N 1 1 322.493 3.970 20 30 DHEDMO Cc1[nH+]ccn1CCCC(=O)N(O)Cc1cccc2ccccc21 ZINC000904171631 1035380898 /nfs/dbraw/zinc/38/08/98/1035380898.db2.gz XZXQIYWEMSPUGU-UHFFFAOYSA-N 1 1 323.396 3.543 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(CSc2ccc(F)cc2)no1 ZINC000904517562 1035420959 /nfs/dbraw/zinc/42/09/59/1035420959.db2.gz DRGZQHFDTPRLOR-CYBMUJFWSA-N 1 1 307.394 3.857 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2cccc(Cl)c2F)no1 ZINC000904549249 1035425529 /nfs/dbraw/zinc/42/55/29/1035425529.db2.gz SVNKWSDLFAAIBF-LBPRGKRZSA-N 1 1 309.772 3.809 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cccc(CSC)c2)no1 ZINC000904596675 1035433758 /nfs/dbraw/zinc/43/37/58/1035433758.db2.gz LEFJVRUVKKCOAV-AWEZNQCLSA-N 1 1 303.431 3.956 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccnc(O[C@H](C)CC)c2)no1 ZINC000904629243 1035437649 /nfs/dbraw/zinc/43/76/49/1035437649.db2.gz VFUBJRSVIKKNHQ-TZMCWYRMSA-N 1 1 316.405 3.665 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(NC(C)(C)C)cn2)no1 ZINC000904643965 1035438518 /nfs/dbraw/zinc/43/85/18/1035438518.db2.gz MZXZBIDRVSFTOZ-ZDUSSCGKSA-N 1 1 315.421 3.698 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccccc2Br)no1 ZINC000904682438 1035440931 /nfs/dbraw/zinc/44/09/31/1035440931.db2.gz KQVAHVVYFFHDOS-GFCCVEGCSA-N 1 1 322.206 3.855 20 30 DHEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2ccncc2OC)no1 ZINC000904694298 1035445155 /nfs/dbraw/zinc/44/51/55/1035445155.db2.gz CEMUHILJHDSBTE-AWEZNQCLSA-N 1 1 318.421 3.891 20 30 DHEDMO C[C@H]1OCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@@H]1C ZINC000485238422 1035502403 /nfs/dbraw/zinc/50/24/03/1035502403.db2.gz ZIENKZXQKZCLNM-HZPDHXFCSA-N 1 1 306.409 3.834 20 30 DHEDMO CCC1(CC)[C@H]([N@@H+](C)Cc2ccc(C#N)c(OC)c2)C[C@@H]1OC ZINC001179920557 1035546892 /nfs/dbraw/zinc/54/68/92/1035546892.db2.gz USTHNJMNXYLQHL-MSOLQXFVSA-N 1 1 316.445 3.592 20 30 DHEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC001179920559 1035547456 /nfs/dbraw/zinc/54/74/56/1035547456.db2.gz USTHNJMNXYLQHL-ROUUACIJSA-N 1 1 316.445 3.592 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)OC)c(C)c1 ZINC001179997761 1035558097 /nfs/dbraw/zinc/55/80/97/1035558097.db2.gz WKJFAEBVGOAKIA-UHFFFAOYSA-N 1 1 309.409 3.970 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1C[C@@]1(C)Br ZINC001180030513 1035570037 /nfs/dbraw/zinc/57/00/37/1035570037.db2.gz NUIVVSCQVSGZHE-ZIAGYGMSSA-N 1 1 301.272 3.812 20 30 DHEDMO CC[N@@H+](Cc1csc(C#N)c1)[C@H](COC)Cc1ccccc1 ZINC001180219717 1035623696 /nfs/dbraw/zinc/62/36/96/1035623696.db2.gz UESOGVHQWANNJK-KRWDZBQOSA-N 1 1 314.454 3.699 20 30 DHEDMO C[C@H]1C[C@@H](Nc2cccc(C#N)c2)C[N@@H+](Cc2ccccc2)C1 ZINC001180489302 1035686045 /nfs/dbraw/zinc/68/60/45/1035686045.db2.gz XTLJMVXYNLWFBK-OXJNMPFZSA-N 1 1 305.425 3.881 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CC3(CCC3)[C@H]2c2ccccc2)CCC1 ZINC000905956551 1035715736 /nfs/dbraw/zinc/71/57/36/1035715736.db2.gz KSEXCNLQFAVMKU-QZTJIDSGSA-N 1 1 310.441 3.658 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494645627 1035759515 /nfs/dbraw/zinc/75/95/15/1035759515.db2.gz CUXMQBRZRXRMNL-GOSISDBHSA-N 1 1 312.457 3.879 20 30 DHEDMO C=CCOCC[N@@H+]1Cc2cccc(Br)c2C[C@@H]1CC ZINC001193873510 1035760892 /nfs/dbraw/zinc/76/08/92/1035760892.db2.gz WOYXWBOPNBTCTR-AWEZNQCLSA-N 1 1 324.262 3.788 20 30 DHEDMO C[C@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000494657787 1035761288 /nfs/dbraw/zinc/76/12/88/1035761288.db2.gz CBJXQCDJSNRGNF-LSDHHAIUSA-N 1 1 323.481 3.551 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)Cc1ncc(-c2ccc(C)cc2)o1 ZINC001193914879 1035769504 /nfs/dbraw/zinc/76/95/04/1035769504.db2.gz YPQDTLIXFPUKGW-UHFFFAOYSA-N 1 1 313.445 3.590 20 30 DHEDMO C#C[C@@H](C)N(C)C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001193919559 1035772169 /nfs/dbraw/zinc/77/21/69/1035772169.db2.gz BFQHRIBLRXHPJX-DENIHFKCSA-N 1 1 320.480 3.856 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001194152609 1035847808 /nfs/dbraw/zinc/84/78/08/1035847808.db2.gz FCFGIGFVKTZYPC-XPGWFJOJSA-N 1 1 306.409 3.675 20 30 DHEDMO C=CCCCCC[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000193306226 1035861683 /nfs/dbraw/zinc/86/16/83/1035861683.db2.gz PCHPOPIKUDICBO-QGZVFWFLSA-N 1 1 316.493 3.930 20 30 DHEDMO C=CCCCCC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000193306215 1035863114 /nfs/dbraw/zinc/86/31/14/1035863114.db2.gz PCHPOPIKUDICBO-KRWDZBQOSA-N 1 1 316.493 3.930 20 30 DHEDMO CC(C)C[N@@H+](CCN(C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC001181554754 1035940551 /nfs/dbraw/zinc/94/05/51/1035940551.db2.gz GGPHLWLCCLRYST-UHFFFAOYSA-N 1 1 301.478 3.507 20 30 DHEDMO CC(C)CN(CC[NH+](C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC001181554754 1035940558 /nfs/dbraw/zinc/94/05/58/1035940558.db2.gz GGPHLWLCCLRYST-UHFFFAOYSA-N 1 1 301.478 3.507 20 30 DHEDMO C=CC[N@@H+](CCOc1ccccc1C(C)=O)CCc1ccccc1 ZINC000195725156 1035957288 /nfs/dbraw/zinc/95/72/88/1035957288.db2.gz HIZJLHOZQUNSMU-UHFFFAOYSA-N 1 1 323.436 3.999 20 30 DHEDMO CCCCCCCCOC(=O)Nc1cnc2c(c1)C[N@H+](C)CC2 ZINC001194735798 1036000203 /nfs/dbraw/zinc/00/02/03/1036000203.db2.gz ZUMDBSVWAIIEPW-UHFFFAOYSA-N 1 1 319.449 3.979 20 30 DHEDMO C=CCC[C@H]([NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)C(=O)OCC ZINC001181828409 1036011749 /nfs/dbraw/zinc/01/17/49/1036011749.db2.gz SAEDIHSBSLOADQ-QRVBRYPASA-N 1 1 315.457 3.885 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001194791784 1036022294 /nfs/dbraw/zinc/02/22/94/1036022294.db2.gz OJPZIRFEIOUEJH-UXHICEINSA-N 1 1 324.399 3.702 20 30 DHEDMO C=CCSCCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000194605664 1036028672 /nfs/dbraw/zinc/02/86/72/1036028672.db2.gz WGURZGCCKKGDNR-UHFFFAOYSA-N 1 1 320.502 3.566 20 30 DHEDMO Cc1cc(C)cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000761759551 1036092679 /nfs/dbraw/zinc/09/26/79/1036092679.db2.gz YSZWNUIBVJQIEC-HXUWFJFHSA-N 1 1 306.409 3.749 20 30 DHEDMO Cc1cc(C)cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000761759551 1036092698 /nfs/dbraw/zinc/09/26/98/1036092698.db2.gz YSZWNUIBVJQIEC-HXUWFJFHSA-N 1 1 306.409 3.749 20 30 DHEDMO CCc1ccc(CC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000761758802 1036098500 /nfs/dbraw/zinc/09/85/00/1036098500.db2.gz AVJKXJIQZYZJEB-NRFANRHFSA-N 1 1 320.436 3.737 20 30 DHEDMO CCc1ccc(CC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)cc1 ZINC000761758802 1036098521 /nfs/dbraw/zinc/09/85/21/1036098521.db2.gz AVJKXJIQZYZJEB-NRFANRHFSA-N 1 1 320.436 3.737 20 30 DHEDMO C#CC[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C1CC1 ZINC000491298701 1036137269 /nfs/dbraw/zinc/13/72/69/1036137269.db2.gz WXYRYVOJOOZQAY-UHFFFAOYSA-N 1 1 320.440 3.658 20 30 DHEDMO C=CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(O)c(F)c1F ZINC001182326732 1036226996 /nfs/dbraw/zinc/22/69/96/1036226996.db2.gz MIHMQVCMQRLBSQ-OAHLLOKOSA-N 1 1 303.352 3.947 20 30 DHEDMO COc1ccccc1C1([NH2+]CC#Cc2cccc(Cl)c2)CC1 ZINC001195403996 1036235330 /nfs/dbraw/zinc/23/53/30/1036235330.db2.gz OURSNWQNDQIHAN-UHFFFAOYSA-N 1 1 311.812 3.979 20 30 DHEDMO C#CCSCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774251346 1036253249 /nfs/dbraw/zinc/25/32/49/1036253249.db2.gz IIWUTCBCFKLBRB-SECBINFHSA-N 1 1 304.242 3.716 20 30 DHEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CCC(C)(C)C ZINC001195499315 1036273304 /nfs/dbraw/zinc/27/33/04/1036273304.db2.gz UKXQNQVJWXVGHG-WUJZJPHMSA-N 1 1 321.509 3.674 20 30 DHEDMO C=CCCCC(=O)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000907814838 1036281593 /nfs/dbraw/zinc/28/15/93/1036281593.db2.gz HIPDAECXWDXGSL-OAHLLOKOSA-N 1 1 315.461 3.787 20 30 DHEDMO C=CCOCC[N@H+](C)[C@H]1CCCc2c(OC)ccc(Cl)c21 ZINC001195729145 1036314775 /nfs/dbraw/zinc/31/47/75/1036314775.db2.gz NSOWQHUQAPNIJL-HNNXBMFYSA-N 1 1 309.837 3.860 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](c3cccc(C)c3)C2)cc1C#N ZINC000541387856 1036316170 /nfs/dbraw/zinc/31/61/70/1036316170.db2.gz RCMBBVTVOMYMOI-GOSISDBHSA-N 1 1 306.409 3.865 20 30 DHEDMO C[C@H]1C[N@H+](Cc2cn3ccccc3c2C#N)Cc2ccccc21 ZINC000914787828 1036336699 /nfs/dbraw/zinc/33/66/99/1036336699.db2.gz WOHFAJVRACBHCS-HNNXBMFYSA-N 1 1 301.393 3.930 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)Cc2ccccc21 ZINC000914787828 1036336722 /nfs/dbraw/zinc/33/67/22/1036336722.db2.gz WOHFAJVRACBHCS-HNNXBMFYSA-N 1 1 301.393 3.930 20 30 DHEDMO CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC001195799975 1036350216 /nfs/dbraw/zinc/35/02/16/1036350216.db2.gz YFPRGCGRLPKEDL-QGZVFWFLSA-N 1 1 314.429 3.645 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC001195946705 1036400608 /nfs/dbraw/zinc/40/06/08/1036400608.db2.gz MMYDVVUCGYLTLY-YOEHRIQHSA-N 1 1 318.848 3.733 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC001182603843 1036407502 /nfs/dbraw/zinc/40/75/02/1036407502.db2.gz APUCTKKLOTWINL-CYBMUJFWSA-N 1 1 310.363 3.617 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc2ccccc2n1CC ZINC000541847696 1036437518 /nfs/dbraw/zinc/43/75/18/1036437518.db2.gz USMRPTLJKKXUOW-UHFFFAOYSA-N 1 1 309.413 3.880 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1nc2ccccc2n1CC ZINC000541847696 1036437525 /nfs/dbraw/zinc/43/75/25/1036437525.db2.gz USMRPTLJKKXUOW-UHFFFAOYSA-N 1 1 309.413 3.880 20 30 DHEDMO C#CCCc1noc([C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000762014916 1036466556 /nfs/dbraw/zinc/46/65/56/1036466556.db2.gz VLZQUGZPDWKHLR-INIZCTEOSA-N 1 1 323.440 3.651 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC001196506787 1036551867 /nfs/dbraw/zinc/55/18/67/1036551867.db2.gz UAOVANXHWKXMHN-JXFKEZNVSA-N 1 1 305.425 3.830 20 30 DHEDMO C=CCC(C)(C)CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC001183570846 1036623482 /nfs/dbraw/zinc/62/34/82/1036623482.db2.gz IFCDTERRERYXPS-GOSISDBHSA-N 1 1 314.473 3.828 20 30 DHEDMO CC(C)(C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000775744668 1036629941 /nfs/dbraw/zinc/62/99/41/1036629941.db2.gz OVZKLQPMNGKXRL-HXUWFJFHSA-N 1 1 320.436 3.909 20 30 DHEDMO CCCCCCCC[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C ZINC001273737098 1036688853 /nfs/dbraw/zinc/68/88/53/1036688853.db2.gz AXJCADHCNZJCKB-OWSLCNJRSA-N 1 1 306.494 3.678 20 30 DHEDMO CCCCCCCC[C@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C)C2 ZINC001273739151 1036709110 /nfs/dbraw/zinc/70/91/10/1036709110.db2.gz YJLAVLODJOAMEM-DLBZAZTESA-N 1 1 306.494 3.537 20 30 DHEDMO CCCC1(CCC)CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC001197514697 1036786125 /nfs/dbraw/zinc/78/61/25/1036786125.db2.gz PSMRSXIVEYNZFI-UHFFFAOYSA-N 1 1 319.474 3.993 20 30 DHEDMO C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(C#N)c(F)c1 ZINC000271987921 1036826447 /nfs/dbraw/zinc/82/64/47/1036826447.db2.gz YNBCIKGJDKGZGA-JTQLQIEISA-N 1 1 301.390 3.882 20 30 DHEDMO Cc1cc(C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)ccc1C#N ZINC000488110041 1036852586 /nfs/dbraw/zinc/85/25/86/1036852586.db2.gz LQTCAMAQTICKKN-QRWLVFNGSA-N 1 1 306.409 3.691 20 30 DHEDMO Cc1cc(C[NH2+][C@@H](CN2CCCC2)c2ccccc2)ccc1C#N ZINC000488120404 1036865716 /nfs/dbraw/zinc/86/57/16/1036865716.db2.gz COHKQPVNVBPGKB-NRFANRHFSA-N 1 1 319.452 3.793 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000488420854 1037004783 /nfs/dbraw/zinc/00/47/83/1037004783.db2.gz JHFCDRIABKGKME-QRVBRYPASA-N 1 1 312.457 3.892 20 30 DHEDMO Cc1cc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)ccc1C#N ZINC000488434089 1037019990 /nfs/dbraw/zinc/01/99/90/1037019990.db2.gz IYAOCXJQTMOIRF-QGZVFWFLSA-N 1 1 322.412 3.507 20 30 DHEDMO CCCC[N@H+]1CCCC[C@H]1CNc1cc(C#N)sc1[N+](=O)[O-] ZINC001185097755 1037025849 /nfs/dbraw/zinc/02/58/49/1037025849.db2.gz COTKPEOZWNDONX-LBPRGKRZSA-N 1 1 322.434 3.594 20 30 DHEDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000492844692 1037032077 /nfs/dbraw/zinc/03/20/77/1037032077.db2.gz DRYSKRDCHPTFCW-NHYWBVRUSA-N 1 1 307.235 3.941 20 30 DHEDMO C#C[C@H]1CCCC[N@@H+]1CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198527202 1037052021 /nfs/dbraw/zinc/05/20/21/1037052021.db2.gz YYMFUCKVNKMIEH-SJORKVTESA-N 1 1 320.477 3.511 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)CC2)cc1 ZINC001198708634 1037117390 /nfs/dbraw/zinc/11/73/90/1037117390.db2.gz ZZEPXYFFSUGCDL-FQEVSTJZSA-N 1 1 322.408 3.553 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1 ZINC000780400248 1037119326 /nfs/dbraw/zinc/11/93/26/1037119326.db2.gz UNKCKSNWJXNQSU-CYYRHQSGSA-N 1 1 318.420 3.769 20 30 DHEDMO CC(C)(C)C[N@H+](CCC#N)Cn1cnc2cc(F)c(F)cc21 ZINC000104657393 1037123014 /nfs/dbraw/zinc/12/30/14/1037123014.db2.gz LSUNFOCDJVVBME-UHFFFAOYSA-N 1 1 306.360 3.534 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)Cn1cnc2cc(F)c(F)cc21 ZINC000104657393 1037123023 /nfs/dbraw/zinc/12/30/23/1037123023.db2.gz LSUNFOCDJVVBME-UHFFFAOYSA-N 1 1 306.360 3.534 20 30 DHEDMO C=C(CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000488893500 1037176458 /nfs/dbraw/zinc/17/64/58/1037176458.db2.gz SIARVQQLCZXHQY-IBGZPJMESA-N 1 1 312.457 3.613 20 30 DHEDMO Cc1cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)ccc1C#N ZINC000774911508 1037206622 /nfs/dbraw/zinc/20/66/22/1037206622.db2.gz HEVDPTUHZKOHED-ZWKOTPCHSA-N 1 1 310.397 3.548 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)cc1 ZINC000489182532 1037301554 /nfs/dbraw/zinc/30/15/54/1037301554.db2.gz KUMYCOVQZJXJAL-OAQYLSRUSA-N 1 1 318.420 3.572 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(CC)cccc1CC ZINC000489425134 1037418156 /nfs/dbraw/zinc/41/81/56/1037418156.db2.gz ACVJGAVYGKPYIR-QGZVFWFLSA-N 1 1 300.446 3.790 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(CC)cccc1CC ZINC000489425134 1037418169 /nfs/dbraw/zinc/41/81/69/1037418169.db2.gz ACVJGAVYGKPYIR-QGZVFWFLSA-N 1 1 300.446 3.790 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CC1(C)C ZINC000489427152 1037424259 /nfs/dbraw/zinc/42/42/59/1037424259.db2.gz OJPHFPQXOKEUOA-OAHLLOKOSA-N 1 1 304.459 3.634 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CC1(C)C ZINC000489427152 1037424273 /nfs/dbraw/zinc/42/42/73/1037424273.db2.gz OJPHFPQXOKEUOA-OAHLLOKOSA-N 1 1 304.459 3.634 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000489458369 1037440156 /nfs/dbraw/zinc/44/01/56/1037440156.db2.gz DCJBEYLGJJSICH-GFCCVEGCSA-N 1 1 303.793 3.931 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000489458369 1037440178 /nfs/dbraw/zinc/44/01/78/1037440178.db2.gz DCJBEYLGJJSICH-GFCCVEGCSA-N 1 1 303.793 3.931 20 30 DHEDMO C=CCC(C)(C)CNC(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000489741103 1037528273 /nfs/dbraw/zinc/52/82/73/1037528273.db2.gz YGIIQXWWMRNRLE-KRWDZBQOSA-N 1 1 302.462 3.616 20 30 DHEDMO COCC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCC[C@@H]1C ZINC000488061559 1037611330 /nfs/dbraw/zinc/61/13/30/1037611330.db2.gz KXQJYTJMZYHEHJ-GUYCJALGSA-N 1 1 306.837 3.849 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000493980952 1037618646 /nfs/dbraw/zinc/61/86/46/1037618646.db2.gz HUGNMMUWYWMWKI-CABCVRRESA-N 1 1 323.481 3.551 20 30 DHEDMO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1cccc2[nH]ccc21 ZINC000494008762 1037629863 /nfs/dbraw/zinc/62/98/63/1037629863.db2.gz XZWOJHQVZKGUJG-UHFFFAOYSA-N 1 1 319.408 3.940 20 30 DHEDMO C[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCS1 ZINC000494147092 1037651658 /nfs/dbraw/zinc/65/16/58/1037651658.db2.gz YHKDRRJGDOSNBH-ZDUSSCGKSA-N 1 1 313.388 3.884 20 30 DHEDMO Cc1ccnc(N=NC2C[N@H+](Cc3ccccc3)CC[C@H]2C)c1 ZINC000776187971 1037682825 /nfs/dbraw/zinc/68/28/25/1037682825.db2.gz QPMZJMIJPHZQAY-MRXNPFEDSA-N 1 1 308.429 3.700 20 30 DHEDMO CCCCCCCCCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000916193919 1037708738 /nfs/dbraw/zinc/70/87/38/1037708738.db2.gz ABHJPXDALGCUHX-IAGOWNOFSA-N 1 1 309.498 3.663 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000490522825 1037726866 /nfs/dbraw/zinc/72/68/66/1037726866.db2.gz VYFWKPHWVCFRNS-FXAWDEMLSA-N 1 1 314.473 3.760 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000185300758 1037793359 /nfs/dbraw/zinc/79/33/59/1037793359.db2.gz PSIYNDRXHKYRPP-VQIMIIECSA-N 1 1 314.473 3.616 20 30 DHEDMO CCCCCCCCCCC[N@H+]1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001201630920 1037802002 /nfs/dbraw/zinc/80/20/02/1037802002.db2.gz HWZDPAVBSPKVGF-GBESFXJTSA-N 1 1 311.510 3.989 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC000763410067 1037823741 /nfs/dbraw/zinc/82/37/41/1037823741.db2.gz YLIONOWSNZECIW-NHCUHLMSSA-N 1 1 320.436 3.689 20 30 DHEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763413282 1037833129 /nfs/dbraw/zinc/83/31/29/1037833129.db2.gz JGVZEOUNXMRQGK-HBGVWJBISA-N 1 1 320.436 3.545 20 30 DHEDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)NC1CCCCC1 ZINC000328683974 1037836705 /nfs/dbraw/zinc/83/67/05/1037836705.db2.gz WLMIGLBJGLUVKG-RCCFBDPRSA-N 1 1 322.493 3.681 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC001201762448 1037883750 /nfs/dbraw/zinc/88/37/50/1037883750.db2.gz LIYDOLJHVUDSGW-IBGZPJMESA-N 1 1 316.493 3.739 20 30 DHEDMO CCCCCCC[N@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001201798294 1037895954 /nfs/dbraw/zinc/89/59/54/1037895954.db2.gz UQGQIWHHTRIACP-LLVKDONJSA-N 1 1 304.360 3.644 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001201798294 1037895965 /nfs/dbraw/zinc/89/59/65/1037895965.db2.gz UQGQIWHHTRIACP-LLVKDONJSA-N 1 1 304.360 3.644 20 30 DHEDMO CCCCCCCC[N@@H+]1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001201804899 1037902331 /nfs/dbraw/zinc/90/23/31/1037902331.db2.gz WLUPQQALJBLEBJ-GOSISDBHSA-N 1 1 300.446 3.860 20 30 DHEDMO CCCCCCCC[N@H+]1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001201804899 1037902347 /nfs/dbraw/zinc/90/23/47/1037902347.db2.gz WLUPQQALJBLEBJ-GOSISDBHSA-N 1 1 300.446 3.860 20 30 DHEDMO CCCCCCCCC[N@@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001201839610 1037917561 /nfs/dbraw/zinc/91/75/61/1037917561.db2.gz NXZISQLWSBBWBZ-INIZCTEOSA-N 1 1 307.482 3.716 20 30 DHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000491127539 1037922623 /nfs/dbraw/zinc/92/26/23/1037922623.db2.gz ANCZGRGBIWOCSS-OAHLLOKOSA-N 1 1 309.331 3.669 20 30 DHEDMO CCCCCCCCCCN1CC[NH+](CCC(C)(C)O)CC1 ZINC001201874806 1037924738 /nfs/dbraw/zinc/92/47/38/1037924738.db2.gz HELQTLRBGIKWQK-UHFFFAOYSA-N 1 1 312.542 3.906 20 30 DHEDMO C#C[C@@H](C)[N@H+](C)Cc1cc2ccccc2nc1N1CCCCC1 ZINC000775182577 1037929950 /nfs/dbraw/zinc/92/99/50/1037929950.db2.gz DOQPTRXHQCMGJF-MRXNPFEDSA-N 1 1 307.441 3.679 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc2ccccc2nc1N1CCCCC1 ZINC000775182577 1037929962 /nfs/dbraw/zinc/92/99/62/1037929962.db2.gz DOQPTRXHQCMGJF-MRXNPFEDSA-N 1 1 307.441 3.679 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000775182584 1037930323 /nfs/dbraw/zinc/93/03/23/1037930323.db2.gz DPYZOFRXEXHOOA-KRWDZBQOSA-N 1 1 308.425 3.731 20 30 DHEDMO C#C[C@H](C)[N@H+](C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000775183231 1037947876 /nfs/dbraw/zinc/94/78/76/1037947876.db2.gz KBHYKMGLJZHGBD-ZDUSSCGKSA-N 1 1 315.848 3.655 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000775183231 1037947902 /nfs/dbraw/zinc/94/79/02/1037947902.db2.gz KBHYKMGLJZHGBD-ZDUSSCGKSA-N 1 1 315.848 3.655 20 30 DHEDMO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1c(F)cncc1F ZINC000586795671 1037978312 /nfs/dbraw/zinc/97/83/12/1037978312.db2.gz DASAHDONXUMGKB-GTNSWQLSSA-N 1 1 313.351 3.960 20 30 DHEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001202055788 1037994269 /nfs/dbraw/zinc/99/42/69/1037994269.db2.gz OULQTPUPRKTQGX-GOSISDBHSA-N 1 1 308.466 3.533 20 30 DHEDMO CC[C@H](C)[C@H](C)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000609204298 1038098463 /nfs/dbraw/zinc/09/84/63/1038098463.db2.gz FDEIUCOCTIUDBT-HOTGVXAUSA-N 1 1 319.493 3.570 20 30 DHEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156522469 1038130228 /nfs/dbraw/zinc/13/02/28/1038130228.db2.gz QQZSGOUIQURFIV-UXHICEINSA-N 1 1 308.425 3.545 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccccc1C)CC2 ZINC001203704145 1038159256 /nfs/dbraw/zinc/15/92/56/1038159256.db2.gz FYRQPJSYZMNIDO-FQEVSTJZSA-N 1 1 312.457 3.528 20 30 DHEDMO N#CCCCCCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000588301953 1038294138 /nfs/dbraw/zinc/29/41/38/1038294138.db2.gz UTJJBYRSZLPAHZ-UHFFFAOYSA-N 1 1 319.493 3.575 20 30 DHEDMO CC[N@H+](Cc1ccc(Cl)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC001190627547 1038359651 /nfs/dbraw/zinc/35/96/51/1038359651.db2.gz ICSKTZKCJLXEOV-GOSISDBHSA-N 1 1 314.816 3.767 20 30 DHEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000588977669 1038414520 /nfs/dbraw/zinc/41/45/20/1038414520.db2.gz GINBZKGXMMQDCE-CYBMUJFWSA-N 1 1 319.246 3.943 20 30 DHEDMO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000588977669 1038414523 /nfs/dbraw/zinc/41/45/23/1038414523.db2.gz GINBZKGXMMQDCE-CYBMUJFWSA-N 1 1 319.246 3.943 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](C3CC3)C2)c1C#N ZINC000588977821 1038415278 /nfs/dbraw/zinc/41/52/78/1038415278.db2.gz ACLDRNMFCGEIPZ-KRWDZBQOSA-N 1 1 320.440 3.674 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](C3CC3)C2)c1C#N ZINC000588977821 1038415283 /nfs/dbraw/zinc/41/52/83/1038415283.db2.gz ACLDRNMFCGEIPZ-KRWDZBQOSA-N 1 1 320.440 3.674 20 30 DHEDMO CC(C)C[N@H+](CCC#N)CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC001191134258 1038456786 /nfs/dbraw/zinc/45/67/86/1038456786.db2.gz XJVPBQYFAZMNEN-UHFFFAOYSA-N 1 1 323.481 3.648 20 30 DHEDMO Cc1ccc(C[N@H+](Cc2ccccc2)[C@H](CO)C(C)C)cc1C#N ZINC001191304709 1038483042 /nfs/dbraw/zinc/48/30/42/1038483042.db2.gz ADPDEZKSZDMHCR-OAQYLSRUSA-N 1 1 322.452 3.886 20 30 DHEDMO CCO[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000589494366 1038486208 /nfs/dbraw/zinc/48/62/08/1038486208.db2.gz LXUJUIOHLLLSPF-CQSZACIVSA-N 1 1 312.335 3.578 20 30 DHEDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000589494366 1038486212 /nfs/dbraw/zinc/48/62/12/1038486212.db2.gz LXUJUIOHLLLSPF-CQSZACIVSA-N 1 1 312.335 3.578 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC001191367087 1038497940 /nfs/dbraw/zinc/49/79/40/1038497940.db2.gz KZUKRNXJXPIERZ-QFBILLFUSA-N 1 1 302.462 3.803 20 30 DHEDMO N#Cc1cncc(C[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)c1 ZINC001191408365 1038499100 /nfs/dbraw/zinc/49/91/00/1038499100.db2.gz ORWGBNVEGCYNMV-NRFANRHFSA-N 1 1 317.436 3.823 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](OC)c1ccc(F)cc1 ZINC001192652721 1038687714 /nfs/dbraw/zinc/68/77/14/1038687714.db2.gz HQEGOJUWSDIRGT-GOSISDBHSA-N 1 1 303.377 3.837 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000590758577 1038699748 /nfs/dbraw/zinc/69/97/48/1038699748.db2.gz GDXKLYWNYBGXNE-MOPGFXCFSA-N 1 1 310.441 3.648 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000590788945 1038707528 /nfs/dbraw/zinc/70/75/28/1038707528.db2.gz MXBTVOWNKMZQNJ-MRXNPFEDSA-N 1 1 316.470 3.778 20 30 DHEDMO CCCCCCC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001192949483 1038718184 /nfs/dbraw/zinc/71/81/84/1038718184.db2.gz DANGTMBUQVMSOK-RDJZCZTQSA-N 1 1 309.498 3.519 20 30 DHEDMO N#CC1(CCCC[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)CCC1 ZINC001192955100 1038719362 /nfs/dbraw/zinc/71/93/62/1038719362.db2.gz FKMKKFFHGKKHRU-IAGOWNOFSA-N 1 1 322.518 3.837 20 30 DHEDMO CC(C)Oc1cccc(C[N@@H+](C)CCOc2cccc(C#N)c2)c1 ZINC001192956203 1038719583 /nfs/dbraw/zinc/71/95/83/1038719583.db2.gz PONHRNABNZYXQT-UHFFFAOYSA-N 1 1 324.424 3.856 20 30 DHEDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000591019594 1038744464 /nfs/dbraw/zinc/74/44/64/1038744464.db2.gz FNLJJEPFTCBFEI-MRXNPFEDSA-N 1 1 300.450 3.593 20 30 DHEDMO Cn1cc(C[N@H+]2CC[C@H](C3CCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000591063233 1038754859 /nfs/dbraw/zinc/75/48/59/1038754859.db2.gz LOJUZJHESKHXLZ-SFHVURJKSA-N 1 1 320.440 3.581 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1COc1cccnc1C ZINC000591380743 1038845833 /nfs/dbraw/zinc/84/58/33/1038845833.db2.gz MHAXEGUEZZAXAF-LJQANCHMSA-N 1 1 321.424 3.614 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)n1cc(C[N@@H+](C)C2CCCCC2)nn1 ZINC000603225951 1038870846 /nfs/dbraw/zinc/87/08/46/1038870846.db2.gz BLNPHRUJWFTFTO-HNNXBMFYSA-N 1 1 323.444 3.524 20 30 DHEDMO C#CCC[N@@H+]1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000760826128 1038877600 /nfs/dbraw/zinc/87/76/00/1038877600.db2.gz ACJUKVGMYSKBCZ-KRWDZBQOSA-N 1 1 301.430 3.514 20 30 DHEDMO C#CCC[N@@H+](C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000760834219 1038894565 /nfs/dbraw/zinc/89/45/65/1038894565.db2.gz OAHQANNQNWTTKP-UHFFFAOYSA-N 1 1 313.420 3.884 20 30 DHEDMO CC1(C)C[C@@H](NCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000761292866 1038928692 /nfs/dbraw/zinc/92/86/92/1038928692.db2.gz DVPALVKLGWSDAX-HXUWFJFHSA-N 1 1 319.452 3.701 20 30 DHEDMO CC1(C)C[C@@H](NCc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000761292866 1038928703 /nfs/dbraw/zinc/92/87/03/1038928703.db2.gz DVPALVKLGWSDAX-HXUWFJFHSA-N 1 1 319.452 3.701 20 30 DHEDMO N#CC1(c2ccc(CNC[C@@H]3CC[N@@H+]3C3CCCCC3)cc2)CC1 ZINC000598991725 1038985679 /nfs/dbraw/zinc/98/56/79/1038985679.db2.gz DEWLXXDPKVFLAW-FQEVSTJZSA-N 1 1 323.484 3.738 20 30 DHEDMO N#CC1(c2ccc(CNC[C@@H]3CC[N@H+]3C3CCCCC3)cc2)CC1 ZINC000598991725 1038985694 /nfs/dbraw/zinc/98/56/94/1038985694.db2.gz DEWLXXDPKVFLAW-FQEVSTJZSA-N 1 1 323.484 3.738 20 30 DHEDMO CC[C@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@@H]1c1ccccc1 ZINC000592071500 1039115125 /nfs/dbraw/zinc/11/51/25/1039115125.db2.gz KFQXRSSXICRKKA-JXFKEZNVSA-N 1 1 305.425 3.969 20 30 DHEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592071328 1039117181 /nfs/dbraw/zinc/11/71/81/1039117181.db2.gz GICDSKJKSATLEE-FQEVSTJZSA-N 1 1 305.425 3.798 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1C#N ZINC000599336941 1039131230 /nfs/dbraw/zinc/13/12/30/1039131230.db2.gz TZEOBRVXSNSRGX-NRFANRHFSA-N 1 1 318.420 3.541 20 30 DHEDMO Cc1ccc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1C#N ZINC000599336941 1039131238 /nfs/dbraw/zinc/13/12/38/1039131238.db2.gz TZEOBRVXSNSRGX-NRFANRHFSA-N 1 1 318.420 3.541 20 30 DHEDMO C[C@@H]1CC2(C[N@H+]1Cc1ccccc1C(C)(C)C#N)CCOCC2 ZINC000592184095 1039135306 /nfs/dbraw/zinc/13/53/06/1039135306.db2.gz YXWUSYJDXSOXJI-MRXNPFEDSA-N 1 1 312.457 3.879 20 30 DHEDMO C[N@@H+](CCC(C)(C)C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000592144232 1039138481 /nfs/dbraw/zinc/13/84/81/1039138481.db2.gz FMIMIAJMGCXBJR-UHFFFAOYSA-N 1 1 307.825 3.518 20 30 DHEDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1C#N ZINC000599393593 1039147401 /nfs/dbraw/zinc/14/74/01/1039147401.db2.gz KMRNSWNCYFOZER-ZCNNSNEGSA-N 1 1 312.457 3.772 20 30 DHEDMO N#Cc1ccccc1C[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592175392 1039165794 /nfs/dbraw/zinc/16/57/94/1039165794.db2.gz WOTYLFQQNYYEQU-HXUWFJFHSA-N 1 1 318.420 3.718 20 30 DHEDMO C[C@@H]1C[NH+](Cc2cn3ccccc3c2C#N)C[C@@H](C)C1(F)F ZINC000599512608 1039184566 /nfs/dbraw/zinc/18/45/66/1039184566.db2.gz LHGGWWYRKNVSQR-CHWSQXEVSA-N 1 1 303.356 3.534 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cc2n(n1)CCCC2 ZINC000592390806 1039188015 /nfs/dbraw/zinc/18/80/15/1039188015.db2.gz PAUKNPBIDPPNBG-IFXJQAMLSA-N 1 1 320.440 3.819 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cccc(F)c2C#N)C1 ZINC000603860680 1039194806 /nfs/dbraw/zinc/19/48/06/1039194806.db2.gz RGXHPRZSTYIIFP-GASCZTMLSA-N 1 1 303.425 3.867 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000603868485 1039202799 /nfs/dbraw/zinc/20/27/99/1039202799.db2.gz PBLKVGSEDASGJA-IBGZPJMESA-N 1 1 310.372 3.913 20 30 DHEDMO C=CC[N@H+](CCOc1cccc(C#N)c1)Cc1ccc(OC)cc1 ZINC000603936404 1039237311 /nfs/dbraw/zinc/23/73/11/1039237311.db2.gz OJNNCOLJZCOYET-UHFFFAOYSA-N 1 1 322.408 3.634 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000599677207 1039255534 /nfs/dbraw/zinc/25/55/34/1039255534.db2.gz IHGCEBNWMPQITH-UHFFFAOYSA-N 1 1 320.823 3.816 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000599677207 1039255542 /nfs/dbraw/zinc/25/55/42/1039255542.db2.gz IHGCEBNWMPQITH-UHFFFAOYSA-N 1 1 320.823 3.816 20 30 DHEDMO C/C=C\C[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000599690995 1039261369 /nfs/dbraw/zinc/26/13/69/1039261369.db2.gz PZCOJWSLLJFAOD-SFAKSCPVSA-N 1 1 317.458 3.627 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](CCCCOc1ccccc1)C2 ZINC000599679475 1039268374 /nfs/dbraw/zinc/26/83/74/1039268374.db2.gz UCPHSKNDEVKADL-UHFFFAOYSA-N 1 1 320.436 3.970 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1 ZINC000599682027 1039268472 /nfs/dbraw/zinc/26/84/72/1039268472.db2.gz VLHZNSGUJYWMBG-IOMROCGXSA-N 1 1 318.420 3.570 20 30 DHEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000593054013 1039378047 /nfs/dbraw/zinc/37/80/47/1039378047.db2.gz RDLUVXDYVIYLBA-GOSISDBHSA-N 1 1 300.446 3.877 20 30 DHEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000593054822 1039378338 /nfs/dbraw/zinc/37/83/38/1039378338.db2.gz GGGJYLYTJISYFU-KRWDZBQOSA-N 1 1 300.446 3.877 20 30 DHEDMO C[C@@H]([NH2+][C@H](CCO)c1ccccc1F)c1ccc(C#N)c(F)c1 ZINC000592404532 1039447334 /nfs/dbraw/zinc/44/73/34/1039447334.db2.gz ZIRMEFHPTHMRET-KZULUSFZSA-N 1 1 316.351 3.611 20 30 DHEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1F ZINC000604493327 1039485225 /nfs/dbraw/zinc/48/52/25/1039485225.db2.gz MRHLEBMVQQEXIP-UHFFFAOYSA-N 1 1 312.388 3.988 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1ccccc1 ZINC000058723551 1039505013 /nfs/dbraw/zinc/50/50/13/1039505013.db2.gz NLNKQEQKSIXLGE-QGZVFWFLSA-N 1 1 308.425 3.552 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1ccccc1 ZINC000058723551 1039505024 /nfs/dbraw/zinc/50/50/24/1039505024.db2.gz NLNKQEQKSIXLGE-QGZVFWFLSA-N 1 1 308.425 3.552 20 30 DHEDMO N#CCCCOc1cccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593695993 1039587257 /nfs/dbraw/zinc/58/72/57/1039587257.db2.gz XUSBEVYVQJNXAN-MRXNPFEDSA-N 1 1 306.356 3.600 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000605149704 1039639259 /nfs/dbraw/zinc/63/92/59/1039639259.db2.gz VTQWGAKXILQOLN-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO Cn1cc([C@H]2C[N@@H+](CCC3(C#N)CCCCC3)CC2(C)C)cn1 ZINC000593998678 1039651262 /nfs/dbraw/zinc/65/12/62/1039651262.db2.gz SPSROJATOHNJAF-QGZVFWFLSA-N 1 1 314.477 3.710 20 30 DHEDMO COc1cccc(C[N@H+](Cc2ccc(C#N)cn2)CC(C)C)c1 ZINC000593954930 1039788510 /nfs/dbraw/zinc/78/85/10/1039788510.db2.gz PWJWDBONABUUHB-UHFFFAOYSA-N 1 1 309.413 3.620 20 30 DHEDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594495940 1039797368 /nfs/dbraw/zinc/79/73/68/1039797368.db2.gz FVFOHTSCMIWIFS-SJORKVTESA-N 1 1 313.489 3.698 20 30 DHEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594495940 1039797381 /nfs/dbraw/zinc/79/73/81/1039797381.db2.gz FVFOHTSCMIWIFS-SJORKVTESA-N 1 1 313.489 3.698 20 30 DHEDMO CC(C)(C#N)c1ccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000594493267 1039797572 /nfs/dbraw/zinc/79/75/72/1039797572.db2.gz JOHQGLRUHNDBFH-UHFFFAOYSA-N 1 1 313.489 3.887 20 30 DHEDMO C[C@H](CNCc1ccc(C(C)(C)C#N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000594493990 1039798091 /nfs/dbraw/zinc/79/80/91/1039798091.db2.gz CYMNDAUQWJFHBE-IAGOWNOFSA-N 1 1 313.489 3.698 20 30 DHEDMO C[C@H](CNCc1ccc(C(C)(C)C#N)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000594493990 1039798104 /nfs/dbraw/zinc/79/81/04/1039798104.db2.gz CYMNDAUQWJFHBE-IAGOWNOFSA-N 1 1 313.489 3.698 20 30 DHEDMO CN(C)CC[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)C(C)(C)C ZINC000594513295 1039815835 /nfs/dbraw/zinc/81/58/35/1039815835.db2.gz MUSBSOMRNRRTCC-SFHVURJKSA-N 1 1 315.505 3.944 20 30 DHEDMO N#Cc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)nc2ccccc12 ZINC000594603451 1039847723 /nfs/dbraw/zinc/84/77/23/1039847723.db2.gz VJSNCTFQWFKHGD-QZTJIDSGSA-N 1 1 306.413 3.535 20 30 DHEDMO C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594584782 1039859329 /nfs/dbraw/zinc/85/93/29/1039859329.db2.gz JPWXOLGSOMTPFF-APWZRJJASA-N 1 1 311.473 3.838 20 30 DHEDMO C[C@H](C[C@H]1CCCCC[NH2+]1)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594584788 1039859415 /nfs/dbraw/zinc/85/94/15/1039859415.db2.gz JPWXOLGSOMTPFF-VQIMIIECSA-N 1 1 311.473 3.838 20 30 DHEDMO CCC(CC)[C@H](CNCc1ccc(C2(C#N)CC2)cc1)[NH+](C)C ZINC000594914811 1039923687 /nfs/dbraw/zinc/92/36/87/1039923687.db2.gz LQUSURKXOAXPIJ-IBGZPJMESA-N 1 1 313.489 3.698 20 30 DHEDMO COc1cc2c(c(C[NH2+]CC3(C#N)CCCCC3)c1)O[C@@H](C)C2 ZINC000594981098 1039994814 /nfs/dbraw/zinc/99/48/14/1039994814.db2.gz GUAASSSPLXHSCZ-AWEZNQCLSA-N 1 1 314.429 3.582 20 30 DHEDMO C=CCCSCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000595058653 1040022051 /nfs/dbraw/zinc/02/20/51/1040022051.db2.gz IHJJZKGGDYZQRK-IEBWSBKVSA-N 1 1 318.530 3.796 20 30 DHEDMO C=CCCCCCN(C)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000606972200 1040048129 /nfs/dbraw/zinc/04/81/29/1040048129.db2.gz IDGINZRTOPIUNO-FGTMMUONSA-N 1 1 323.525 3.741 20 30 DHEDMO CCC[N@@H+](CCc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000595291765 1040091888 /nfs/dbraw/zinc/09/18/88/1040091888.db2.gz TYZNRVFIACGWJH-UHFFFAOYSA-N 1 1 303.409 3.885 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc2ccccc2n1 ZINC000595297555 1040094914 /nfs/dbraw/zinc/09/49/14/1040094914.db2.gz WCMVGLDDRMJCBP-UHFFFAOYSA-N 1 1 316.408 3.912 20 30 DHEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C#N)c1ccccc1 ZINC000595334024 1040102182 /nfs/dbraw/zinc/10/21/82/1040102182.db2.gz LMRRTYVOPSWOPT-PZJWPPBQSA-N 1 1 319.452 3.705 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000595301206 1040106111 /nfs/dbraw/zinc/10/61/11/1040106111.db2.gz YWZPSZMIMMXAHH-HXUWFJFHSA-N 1 1 306.409 3.564 20 30 DHEDMO N#Cc1ccc(CC[N@H+](Cc2cccc(O)c2)CC2CC2)cc1 ZINC000595321660 1040107926 /nfs/dbraw/zinc/10/79/26/1040107926.db2.gz XPRFBJPGCXVPGK-UHFFFAOYSA-N 1 1 306.409 3.719 20 30 DHEDMO C=C(C)C[N@H+](CCc1ccc(C#N)cc1)Cc1cnn(C(C)C)c1 ZINC000595481432 1040142547 /nfs/dbraw/zinc/14/25/47/1040142547.db2.gz DYGLMFTWMSMXHY-UHFFFAOYSA-N 1 1 322.456 3.956 20 30 DHEDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000063302850 1040182758 /nfs/dbraw/zinc/18/27/58/1040182758.db2.gz JPNJTCOTKKQMPD-ZDUSSCGKSA-N 1 1 319.836 3.662 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000595617383 1040192635 /nfs/dbraw/zinc/19/26/35/1040192635.db2.gz ZKNDKHXDXLWGAD-QGZVFWFLSA-N 1 1 321.424 3.786 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000595623273 1040195464 /nfs/dbraw/zinc/19/54/64/1040195464.db2.gz LOVPOCMOASIDAK-KRWDZBQOSA-N 1 1 321.424 3.786 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000595623273 1040195474 /nfs/dbraw/zinc/19/54/74/1040195474.db2.gz LOVPOCMOASIDAK-KRWDZBQOSA-N 1 1 321.424 3.786 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000595623950 1040196264 /nfs/dbraw/zinc/19/62/64/1040196264.db2.gz ZMIZLDNOWVDABT-KRWDZBQOSA-N 1 1 321.424 3.786 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000593084267 1040196562 /nfs/dbraw/zinc/19/65/62/1040196562.db2.gz QQLQRBPSDLZNFQ-GOSISDBHSA-N 1 1 309.388 3.690 20 30 DHEDMO N#Cc1cnccc1C[N@@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000593084267 1040196570 /nfs/dbraw/zinc/19/65/70/1040196570.db2.gz QQLQRBPSDLZNFQ-GOSISDBHSA-N 1 1 309.388 3.690 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H](C)COC ZINC000595638294 1040198225 /nfs/dbraw/zinc/19/82/25/1040198225.db2.gz FTVVJFHZKYRYAO-LBPRGKRZSA-N 1 1 312.335 3.600 20 30 DHEDMO Cc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@@H](CC#N)C3)o2)cc1 ZINC000595609139 1040204360 /nfs/dbraw/zinc/20/43/60/1040204360.db2.gz GRUBAYRGZOJXDG-CABCVRRESA-N 1 1 310.401 3.732 20 30 DHEDMO Cc1ccc(-c2nnc([C@@H](C)[N@H+]3CCC[C@@H](CC#N)C3)o2)cc1 ZINC000595609139 1040204363 /nfs/dbraw/zinc/20/43/63/1040204363.db2.gz GRUBAYRGZOJXDG-CABCVRRESA-N 1 1 310.401 3.732 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000595614875 1040206648 /nfs/dbraw/zinc/20/66/48/1040206648.db2.gz IZEOSIICJXERSE-LLVKDONJSA-N 1 1 323.318 3.972 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000595614875 1040206656 /nfs/dbraw/zinc/20/66/56/1040206656.db2.gz IZEOSIICJXERSE-LLVKDONJSA-N 1 1 323.318 3.972 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000595615830 1040206819 /nfs/dbraw/zinc/20/68/19/1040206819.db2.gz UGZRAJTWMXXONO-QGZVFWFLSA-N 1 1 321.424 3.786 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)C(C)(C)C ZINC000595764805 1040235964 /nfs/dbraw/zinc/23/59/64/1040235964.db2.gz DBVWOOUNASLLIE-UHFFFAOYSA-N 1 1 317.458 3.527 20 30 DHEDMO COC(=O)[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)[C@H]2CCCC[C@@H]12 ZINC000595735332 1040237488 /nfs/dbraw/zinc/23/74/88/1040237488.db2.gz XCKCZJFSARPLEC-BBWFWOEESA-N 1 1 320.477 3.760 20 30 DHEDMO CC#CC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000607731555 1040239342 /nfs/dbraw/zinc/23/93/42/1040239342.db2.gz CVCYGHMHNUITMQ-UHFFFAOYSA-N 1 1 319.408 3.712 20 30 DHEDMO CC#CC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000607731555 1040239357 /nfs/dbraw/zinc/23/93/57/1040239357.db2.gz CVCYGHMHNUITMQ-UHFFFAOYSA-N 1 1 319.408 3.712 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595785162 1040252413 /nfs/dbraw/zinc/25/24/13/1040252413.db2.gz VWILSBAWLXJSML-GOSISDBHSA-N 1 1 318.848 3.993 20 30 DHEDMO Cc1ccc(C#N)nc1N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000596087498 1040302851 /nfs/dbraw/zinc/30/28/51/1040302851.db2.gz GBWNDPQPMBVMBC-CRAIPNDOSA-N 1 1 306.413 3.509 20 30 DHEDMO CC(C)C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000063493183 1040327162 /nfs/dbraw/zinc/32/71/62/1040327162.db2.gz VQKHEMCZBWLKTN-UHFFFAOYSA-N 1 1 319.836 3.661 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063750656 1040486834 /nfs/dbraw/zinc/48/68/34/1040486834.db2.gz FKCXVZWWTGVTDD-UHFFFAOYSA-N 1 1 309.369 3.877 20 30 DHEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012025 1040623309 /nfs/dbraw/zinc/62/33/09/1040623309.db2.gz KNUKPDLCEHCTMI-QFBILLFUSA-N 1 1 311.473 3.546 20 30 DHEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012025 1040623316 /nfs/dbraw/zinc/62/33/16/1040623316.db2.gz KNUKPDLCEHCTMI-QFBILLFUSA-N 1 1 311.473 3.546 20 30 DHEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012025 1040623330 /nfs/dbraw/zinc/62/33/30/1040623330.db2.gz KNUKPDLCEHCTMI-QFBILLFUSA-N 1 1 311.473 3.546 20 30 DHEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012025 1040623339 /nfs/dbraw/zinc/62/33/39/1040623339.db2.gz KNUKPDLCEHCTMI-QFBILLFUSA-N 1 1 311.473 3.546 20 30 DHEDMO CCN(CCC[NH+]1CCCC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597128941 1040658745 /nfs/dbraw/zinc/65/87/45/1040658745.db2.gz KXKWKOBNDNHYMK-UHFFFAOYSA-N 1 1 311.473 3.550 20 30 DHEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597130214 1040659873 /nfs/dbraw/zinc/65/98/73/1040659873.db2.gz SUCYNHFLNJJPGZ-APWZRJJASA-N 1 1 312.457 3.757 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[C@H]3O)cc2)CC1 ZINC000597137797 1040662736 /nfs/dbraw/zinc/66/27/36/1040662736.db2.gz YTAGMDHJXBSRRC-VAMGGRTRSA-N 1 1 324.468 3.757 20 30 DHEDMO N#CC1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CCC1 ZINC000597152720 1040666417 /nfs/dbraw/zinc/66/64/17/1040666417.db2.gz CPURDORLGXHZDQ-UHFFFAOYSA-N 1 1 311.360 3.796 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3C[C@@H](O)C[C@@H]3c3ccccc3)cc2)CC1 ZINC000597150417 1040667839 /nfs/dbraw/zinc/66/78/39/1040667839.db2.gz BQEMULDMPKCUHP-VQTJNVASSA-N 1 1 318.420 3.550 20 30 DHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](CC#N)C1 ZINC000597172527 1040668146 /nfs/dbraw/zinc/66/81/46/1040668146.db2.gz CALRKUZMBDXUGD-LJQANCHMSA-N 1 1 313.489 3.770 20 30 DHEDMO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597172527 1040668171 /nfs/dbraw/zinc/66/81/71/1040668171.db2.gz CALRKUZMBDXUGD-LJQANCHMSA-N 1 1 313.489 3.770 20 30 DHEDMO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597172527 1040668177 /nfs/dbraw/zinc/66/81/77/1040668177.db2.gz CALRKUZMBDXUGD-LJQANCHMSA-N 1 1 313.489 3.770 20 30 DHEDMO CCOc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc(Cl)c1OC ZINC000597174554 1040675841 /nfs/dbraw/zinc/67/58/41/1040675841.db2.gz QWBSTMVUZGFZLW-ZDUSSCGKSA-N 1 1 322.836 3.873 20 30 DHEDMO CCOc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc(Cl)c1OC ZINC000597174554 1040675844 /nfs/dbraw/zinc/67/58/44/1040675844.db2.gz QWBSTMVUZGFZLW-ZDUSSCGKSA-N 1 1 322.836 3.873 20 30 DHEDMO N#CCC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000597193634 1040676491 /nfs/dbraw/zinc/67/64/91/1040676491.db2.gz JNNFNFOAYDWEIQ-UHFFFAOYSA-N 1 1 313.382 3.669 20 30 DHEDMO Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597177497 1040677808 /nfs/dbraw/zinc/67/78/08/1040677808.db2.gz NGYLIDQVHCPUBN-KRWDZBQOSA-N 1 1 308.429 3.615 20 30 DHEDMO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1Oc1cccnc1 ZINC000597230042 1040695899 /nfs/dbraw/zinc/69/58/99/1040695899.db2.gz OWXFXARQMCFAKL-IBGZPJMESA-N 1 1 307.397 3.918 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1Oc1cccnc1 ZINC000597230042 1040695906 /nfs/dbraw/zinc/69/59/06/1040695906.db2.gz OWXFXARQMCFAKL-IBGZPJMESA-N 1 1 307.397 3.918 20 30 DHEDMO Cc1cc([C@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)c(O)cc1Cl ZINC000597223663 1040704086 /nfs/dbraw/zinc/70/40/86/1040704086.db2.gz SQHZOEDDNHJNIW-LBPRGKRZSA-N 1 1 316.788 3.808 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000442675829 1041026520 /nfs/dbraw/zinc/02/65/20/1041026520.db2.gz BMSYCLYEELEJTI-OAHLLOKOSA-N 1 1 305.381 3.502 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)n1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000602452360 1041029168 /nfs/dbraw/zinc/02/91/68/1041029168.db2.gz HWAHZFBARBIBDS-YLJYHZDGSA-N 1 1 321.424 3.553 20 30 DHEDMO COc1cc(C[N@@H+](C)C[C@@H](C)CCC#N)ccc1OC(F)F ZINC000602434018 1041032666 /nfs/dbraw/zinc/03/26/66/1041032666.db2.gz OFAHBZQVBMJNPL-LBPRGKRZSA-N 1 1 312.360 3.668 20 30 DHEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)C[C@@H](C)CCC#N ZINC000602475592 1041039824 /nfs/dbraw/zinc/03/98/24/1041039824.db2.gz LGCQIWDKKHITPA-AWEZNQCLSA-N 1 1 301.434 3.504 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000602459912 1041043965 /nfs/dbraw/zinc/04/39/65/1041043965.db2.gz WKYYSPPXVYRPBV-GOEBONIOSA-N 1 1 300.402 3.535 20 30 DHEDMO C[C@H](CCC#N)C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000602473778 1041049999 /nfs/dbraw/zinc/04/99/99/1041049999.db2.gz PNYFVTRDBJSLQO-QGZVFWFLSA-N 1 1 300.446 3.855 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)CC1 ZINC000929486124 1041104366 /nfs/dbraw/zinc/10/43/66/1041104366.db2.gz QYSDWDZSDHWQPF-JMLCCBQJSA-N 1 1 302.393 3.529 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCO[C@H](c3ccccc3F)C2)CC1 ZINC000929486124 1041104369 /nfs/dbraw/zinc/10/43/69/1041104369.db2.gz QYSDWDZSDHWQPF-JMLCCBQJSA-N 1 1 302.393 3.529 20 30 DHEDMO N#Cc1cccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)n1 ZINC000602583248 1041113782 /nfs/dbraw/zinc/11/37/82/1041113782.db2.gz WAUSAPHLWIVFJS-INIZCTEOSA-N 1 1 313.788 3.610 20 30 DHEDMO C[C@H](C#N)CNC[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000602607263 1041124478 /nfs/dbraw/zinc/12/44/78/1041124478.db2.gz IBLNLQNFNCAYHN-YLJYHZDGSA-N 1 1 313.489 3.674 20 30 DHEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2cccc(C#N)n2)c1 ZINC000602606818 1041125114 /nfs/dbraw/zinc/12/51/14/1041125114.db2.gz GVHDTIHUIZQKQE-LIRRHRJNSA-N 1 1 307.397 3.545 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000602662916 1041147912 /nfs/dbraw/zinc/14/79/12/1041147912.db2.gz OADLYANOBVUICK-DOTOQJQBSA-N 1 1 323.444 3.591 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000602690341 1041152321 /nfs/dbraw/zinc/15/23/21/1041152321.db2.gz JMFWKSIAPNPLJJ-KBPBESRZSA-N 1 1 318.383 3.607 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2CC2(CC#N)CC2)c(OC)c1 ZINC000602757159 1041202139 /nfs/dbraw/zinc/20/21/39/1041202139.db2.gz RINIAZMGUCOGCT-MRXNPFEDSA-N 1 1 300.402 3.535 20 30 DHEDMO N#CCC1(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000602785855 1041213463 /nfs/dbraw/zinc/21/34/63/1041213463.db2.gz WHASHWXCUNDPIO-OAQYLSRUSA-N 1 1 323.484 3.668 20 30 DHEDMO N#CCC1(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC1 ZINC000602785855 1041213596 /nfs/dbraw/zinc/21/35/96/1041213596.db2.gz WHASHWXCUNDPIO-OAQYLSRUSA-N 1 1 323.484 3.668 20 30 DHEDMO N#CCC1(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)CC1 ZINC000602785855 1041213612 /nfs/dbraw/zinc/21/36/12/1041213612.db2.gz WHASHWXCUNDPIO-OAQYLSRUSA-N 1 1 323.484 3.668 20 30 DHEDMO C[C@H](CCC#N)[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000602893031 1041299434 /nfs/dbraw/zinc/29/94/34/1041299434.db2.gz OJSYZPQFODSGEM-SNVBAGLBSA-N 1 1 310.323 3.706 20 30 DHEDMO C[C@H](CCC#N)[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000602893031 1041299443 /nfs/dbraw/zinc/29/94/43/1041299443.db2.gz OJSYZPQFODSGEM-SNVBAGLBSA-N 1 1 310.323 3.706 20 30 DHEDMO C[N@H+](Cc1nc2cc(C(F)(F)F)ccc2[nH]1)[C@@H]1CC[C@H](C#N)C1 ZINC000602893697 1041300779 /nfs/dbraw/zinc/30/07/79/1041300779.db2.gz SIJRBDWWPNMVQT-CMPLNLGQSA-N 1 1 322.334 3.706 20 30 DHEDMO C[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2[nH]1)[C@@H]1CC[C@H](C#N)C1 ZINC000602893697 1041300800 /nfs/dbraw/zinc/30/08/00/1041300800.db2.gz SIJRBDWWPNMVQT-CMPLNLGQSA-N 1 1 322.334 3.706 20 30 DHEDMO CC1(C)C[N@@H+](CCCC2(C#N)CCOCC2)[C@H]1c1ccco1 ZINC000602924221 1041316993 /nfs/dbraw/zinc/31/69/93/1041316993.db2.gz BRLIVHWHZCMTPN-INIZCTEOSA-N 1 1 302.418 3.763 20 30 DHEDMO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602977598 1041330027 /nfs/dbraw/zinc/33/00/27/1041330027.db2.gz DFOBRTGMIVMHFF-FXAWDEMLSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602977598 1041330040 /nfs/dbraw/zinc/33/00/40/1041330040.db2.gz DFOBRTGMIVMHFF-FXAWDEMLSA-N 1 1 321.424 3.785 20 30 DHEDMO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2C)c1C#N ZINC000602991515 1041332949 /nfs/dbraw/zinc/33/29/49/1041332949.db2.gz FISWHZZFYBFDHD-CQSZACIVSA-N 1 1 308.381 3.504 20 30 DHEDMO Cc1cc(C)cc(C2=CC[N@@H+](C[C@H](O)CC(C)(C)C#N)CC2)c1 ZINC000598601121 1041342033 /nfs/dbraw/zinc/34/20/33/1041342033.db2.gz QNEFQJCLHDETPQ-LJQANCHMSA-N 1 1 312.457 3.693 20 30 DHEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598585197 1041346954 /nfs/dbraw/zinc/34/69/54/1041346954.db2.gz YBCPFMZLBGJZMP-DZGCQCFKSA-N 1 1 300.402 3.726 20 30 DHEDMO C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598588349 1041352119 /nfs/dbraw/zinc/35/21/19/1041352119.db2.gz JGRBDUADHHAXQN-QAPCUYQASA-N 1 1 300.446 3.588 20 30 DHEDMO CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@H]1CCc2ccccc21 ZINC000598587606 1041352418 /nfs/dbraw/zinc/35/24/18/1041352418.db2.gz SMEPAAULICNXNH-WMZOPIPTSA-N 1 1 300.446 3.687 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000598599498 1041359389 /nfs/dbraw/zinc/35/93/89/1041359389.db2.gz JLNISSJYRGUUNV-OAHLLOKOSA-N 1 1 318.848 3.730 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](COCC)C2)ccc1OC ZINC000093839462 335005439 /nfs/dbraw/zinc/00/54/39/335005439.db2.gz AXTMOLZHIOWDFF-QGZVFWFLSA-N 1 1 319.445 3.509 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@H](COCC)C2)ccc1OC ZINC000093839463 335005458 /nfs/dbraw/zinc/00/54/58/335005458.db2.gz AXTMOLZHIOWDFF-KRWDZBQOSA-N 1 1 319.445 3.509 20 30 DHEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2c(F)cncc2F)cc1 ZINC000285712151 335024978 /nfs/dbraw/zinc/02/49/78/335024978.db2.gz PPDRFSHFKHJEFQ-OLZOCXBDSA-N 1 1 316.351 3.784 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2c(OC)cccc2OC)cc1 ZINC000285666664 335024418 /nfs/dbraw/zinc/02/44/18/335024418.db2.gz TZNDOSKNDXLQHW-UHFFFAOYSA-N 1 1 313.397 3.558 20 30 DHEDMO C=CCC[C@@H](NCC1([NH+]2CCCC2)CCOCC1)c1ccco1 ZINC000286204919 335030395 /nfs/dbraw/zinc/03/03/95/335030395.db2.gz RUVHSTREKGWICE-QGZVFWFLSA-N 1 1 318.461 3.522 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCS[C@@H](C)CC2)cc1OC ZINC000190691506 335047443 /nfs/dbraw/zinc/04/74/43/335047443.db2.gz MXJOLTBUMNNSKA-AWEZNQCLSA-N 1 1 307.459 3.587 20 30 DHEDMO CC(=O)Nc1ccn([C@H]2CC[N@H+]([C@H](C)c3ccccc3F)C2)n1 ZINC000328630663 257263496 /nfs/dbraw/zinc/26/34/96/257263496.db2.gz QCQUYRDEMOXGAN-OCCSQVGLSA-N 1 1 316.380 3.638 20 30 DHEDMO CC[N@H+](Cc1occc1C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000299005127 132086038 /nfs/dbraw/zinc/08/60/38/132086038.db2.gz BPZUYSVGDBGRAL-ZDUSSCGKSA-N 1 1 312.369 3.521 20 30 DHEDMO CC[N@@H+](Cc1occc1C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000299005127 132086039 /nfs/dbraw/zinc/08/60/39/132086039.db2.gz BPZUYSVGDBGRAL-ZDUSSCGKSA-N 1 1 312.369 3.521 20 30 DHEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000120793434 132145764 /nfs/dbraw/zinc/14/57/64/132145764.db2.gz VQSSWHFFKFVGFQ-ZFWWWQNUSA-N 1 1 319.474 3.849 20 30 DHEDMO Cc1nc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccc1C#N ZINC000488109036 429176368 /nfs/dbraw/zinc/17/63/68/429176368.db2.gz TXMSUENOIUEFOA-MAUKXSAKSA-N 1 1 306.413 3.509 20 30 DHEDMO N#Cc1cc(NC[C@@H]2CC[N@H+]2C2CCCC2)nc2ccccc12 ZINC000528210398 429861930 /nfs/dbraw/zinc/86/19/30/429861930.db2.gz PDYPMJYYKXFGHB-INIZCTEOSA-N 1 1 306.413 3.535 20 30 DHEDMO Cc1nccnc1[C@@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000188222786 331545833 /nfs/dbraw/zinc/54/58/33/331545833.db2.gz WQMWXNXLPAMFLO-GFCCVEGCSA-N 1 1 319.330 3.506 20 30 DHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC2(C1)CCCCC2 ZINC000129898033 332021479 /nfs/dbraw/zinc/02/14/79/332021479.db2.gz ANVMVXIIUSNYBA-UHFFFAOYSA-N 1 1 311.429 3.543 20 30 DHEDMO C[N@@H+](CC(C)(C)CCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000091948756 332095055 /nfs/dbraw/zinc/09/50/55/332095055.db2.gz HUBUDRASLFNFRX-UHFFFAOYSA-N 1 1 323.481 3.648 20 30 DHEDMO Cn1cc(Br)cc1C[N@@H+](C)CC(C)(C)CCC#N ZINC000091961811 332116013 /nfs/dbraw/zinc/11/60/13/332116013.db2.gz YPINAPGMVRDEPN-UHFFFAOYSA-N 1 1 312.255 3.549 20 30 DHEDMO COc1ccc(C[N@@H+](CC(C)C)C2CC2)cc1OCCCC#N ZINC000092009199 332117696 /nfs/dbraw/zinc/11/76/96/332117696.db2.gz BQQILWGLYJNXAP-UHFFFAOYSA-N 1 1 316.445 3.998 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)C1=O ZINC000410380672 332121247 /nfs/dbraw/zinc/12/12/47/332121247.db2.gz HRMHKCGAGGKXEU-NEWSRXKRSA-N 1 1 312.457 3.555 20 30 DHEDMO CC(C)(CCC#N)C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000092436072 332126316 /nfs/dbraw/zinc/12/63/16/332126316.db2.gz XQZDBNUTKWOWHC-GOSISDBHSA-N 1 1 300.446 3.998 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000093101224 332134295 /nfs/dbraw/zinc/13/42/95/332134295.db2.gz DWUFMUGUSOSFKH-UHFFFAOYSA-N 1 1 312.461 3.798 20 30 DHEDMO N#Cc1cnc(C[N@@H+]2CCCCC[C@H]2/C=C/c2ccccc2)nc1 ZINC000569559809 332137905 /nfs/dbraw/zinc/13/79/05/332137905.db2.gz KPDUHRSAPCIJGM-VYENPZKTSA-N 1 1 318.424 3.806 20 30 DHEDMO N#Cc1cnc(C[N@H+]2CCCCC[C@H]2/C=C/c2ccccc2)nc1 ZINC000569559809 332137906 /nfs/dbraw/zinc/13/79/06/332137906.db2.gz KPDUHRSAPCIJGM-VYENPZKTSA-N 1 1 318.424 3.806 20 30 DHEDMO N#Cc1cnc(C[N@@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)nc1 ZINC000569559808 332137964 /nfs/dbraw/zinc/13/79/64/332137964.db2.gz KPDUHRSAPCIJGM-OEIFXAAASA-N 1 1 318.424 3.806 20 30 DHEDMO N#Cc1cnc(C[N@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)nc1 ZINC000569559808 332137966 /nfs/dbraw/zinc/13/79/66/332137966.db2.gz KPDUHRSAPCIJGM-OEIFXAAASA-N 1 1 318.424 3.806 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1OCCCC#N ZINC000093443470 332138728 /nfs/dbraw/zinc/13/87/28/332138728.db2.gz ZGZQIJVWCKGWNV-CALCHBBNSA-N 1 1 314.429 3.610 20 30 DHEDMO CC[C@@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000426999924 332165200 /nfs/dbraw/zinc/16/52/00/332165200.db2.gz MMSKQWUIYHHCAB-CQSZACIVSA-N 1 1 319.474 3.687 20 30 DHEDMO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000426999924 332165201 /nfs/dbraw/zinc/16/52/01/332165201.db2.gz MMSKQWUIYHHCAB-CQSZACIVSA-N 1 1 319.474 3.687 20 30 DHEDMO C=CCC[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC000427101571 332167439 /nfs/dbraw/zinc/16/74/39/332167439.db2.gz PNZKMYUETKGGFB-FUHWJXTLSA-N 1 1 302.462 3.583 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000181288468 332189835 /nfs/dbraw/zinc/18/98/35/332189835.db2.gz RZAHUNLAFTXZIH-SNVBAGLBSA-N 1 1 301.217 3.828 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000181288468 332189837 /nfs/dbraw/zinc/18/98/37/332189837.db2.gz RZAHUNLAFTXZIH-SNVBAGLBSA-N 1 1 301.217 3.828 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000150901545 332198010 /nfs/dbraw/zinc/19/80/10/332198010.db2.gz CTQIHMQRLQVUMU-AWEZNQCLSA-N 1 1 300.406 3.871 20 30 DHEDMO CCC[N@H+](CC(=O)c1cc(C)n(C)c1C)Cc1ccc(C#N)cc1 ZINC000531016418 332211286 /nfs/dbraw/zinc/21/12/86/332211286.db2.gz NZQPZBHVFKSFOG-UHFFFAOYSA-N 1 1 323.440 3.609 20 30 DHEDMO CCC[N@@H+](CC(=O)c1cc(C)n(C)c1C)Cc1ccc(C#N)cc1 ZINC000531016418 332211287 /nfs/dbraw/zinc/21/12/87/332211287.db2.gz NZQPZBHVFKSFOG-UHFFFAOYSA-N 1 1 323.440 3.609 20 30 DHEDMO C=CCc1cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc(OC)c1O ZINC000292848454 335096471 /nfs/dbraw/zinc/09/64/71/335096471.db2.gz SXXZJSWWCDEPRV-WBVHZDCISA-N 1 1 323.383 3.606 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C(C)C ZINC000108362422 332271747 /nfs/dbraw/zinc/27/17/47/332271747.db2.gz PUPTYVAAIXUASV-CQSZACIVSA-N 1 1 319.474 3.750 20 30 DHEDMO COc1ccc2c(c1)[C@H](C)C[N@H+](CCCC(C)(C)C#N)CC2 ZINC000370952064 332315454 /nfs/dbraw/zinc/31/54/54/332315454.db2.gz CQMJDAQSTPESJH-OAHLLOKOSA-N 1 1 300.446 3.987 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153018046 332340005 /nfs/dbraw/zinc/34/00/05/332340005.db2.gz UIOFNCNKHUXTSI-GOSISDBHSA-N 1 1 317.433 3.676 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)NC(C)(C)CC)c1ccc(F)c(F)c1 ZINC000187775972 332432699 /nfs/dbraw/zinc/43/26/99/332432699.db2.gz VLFREURGMXASMS-LRDDRELGSA-N 1 1 324.415 3.865 20 30 DHEDMO CC1(C)CCCc2cc(C#N)c(N[C@H]3CC[N@H+]4CCC[C@H]4C3)nc21 ZINC000428123565 335111204 /nfs/dbraw/zinc/11/12/04/335111204.db2.gz WXOABLVGDNOUBW-IRXDYDNUSA-N 1 1 324.472 3.606 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000293768085 335113073 /nfs/dbraw/zinc/11/30/73/335113073.db2.gz YHEMHPNYYXCVCN-IBGZPJMESA-N 1 1 313.441 3.642 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CC3CC3)C2)c(OC(F)F)c1 ZINC000580219537 333020011 /nfs/dbraw/zinc/02/00/11/333020011.db2.gz PYDDRQBIYANHIC-CQSZACIVSA-N 1 1 306.356 3.782 20 30 DHEDMO C=C(C)C[N@@H+](C)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000181255922 333029832 /nfs/dbraw/zinc/02/98/32/333029832.db2.gz DEZCAMJAFXUIGC-UHFFFAOYSA-N 1 1 304.415 3.532 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000181255922 333029834 /nfs/dbraw/zinc/02/98/34/333029834.db2.gz DEZCAMJAFXUIGC-UHFFFAOYSA-N 1 1 304.415 3.532 20 30 DHEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000111324104 333064376 /nfs/dbraw/zinc/06/43/76/333064376.db2.gz NXPQNYMHVRCRCF-UHFFFAOYSA-N 1 1 317.458 3.605 20 30 DHEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000111324104 333064377 /nfs/dbraw/zinc/06/43/77/333064377.db2.gz NXPQNYMHVRCRCF-UHFFFAOYSA-N 1 1 317.458 3.605 20 30 DHEDMO CC(C)(C#N)CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000174853497 333091944 /nfs/dbraw/zinc/09/19/44/333091944.db2.gz YSYRSKWOBCYWQW-KRWDZBQOSA-N 1 1 316.445 3.703 20 30 DHEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCC(C)(C)C#N ZINC000175399270 333098431 /nfs/dbraw/zinc/09/84/31/333098431.db2.gz BHOKVFRZTPOMBE-SPLOXXLWSA-N 1 1 306.475 3.747 20 30 DHEDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)n1 ZINC000178518031 333140163 /nfs/dbraw/zinc/14/01/63/333140163.db2.gz YUIMGKLONLGTOU-MRXNPFEDSA-N 1 1 324.428 3.559 20 30 DHEDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000183729795 333187144 /nfs/dbraw/zinc/18/71/44/333187144.db2.gz OVPKPTPUZKVZSP-MRXNPFEDSA-N 1 1 308.429 3.624 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccnc(Br)c1 ZINC000294445153 335122983 /nfs/dbraw/zinc/12/29/83/335122983.db2.gz FPAKGWBMOXPHQA-UHFFFAOYSA-N 1 1 321.218 3.668 20 30 DHEDMO N#C[C@H]1CCC[C@H]([NH2+][C@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000185874522 333215264 /nfs/dbraw/zinc/21/52/64/333215264.db2.gz GZIKPECDGMQHHX-UCLAIMLFSA-N 1 1 309.388 3.982 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186050136 333216831 /nfs/dbraw/zinc/21/68/31/333216831.db2.gz XIZMFQJKZAWGHT-SFHVURJKSA-N 1 1 300.446 3.650 20 30 DHEDMO C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294963701 335129601 /nfs/dbraw/zinc/12/96/01/335129601.db2.gz MUOBTQAWOJDIHJ-SJLPKXTDSA-N 1 1 314.473 3.710 20 30 DHEDMO Cc1ccnc(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000310555552 333254165 /nfs/dbraw/zinc/25/41/65/333254165.db2.gz YEZFGPDLIZGQRJ-AEFFLSMTSA-N 1 1 320.440 3.584 20 30 DHEDMO N#Cc1cccc(OCC[N@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000498900583 333310891 /nfs/dbraw/zinc/31/08/91/333310891.db2.gz XOJSSTNFKRHIQB-UHFFFAOYSA-N 1 1 322.408 3.555 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1F)Cc1cc2ccccc2[nH]c1=O ZINC000110107969 333326379 /nfs/dbraw/zinc/32/63/79/333326379.db2.gz SHJKZYQSNYGVAK-UHFFFAOYSA-N 1 1 322.383 3.855 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1F)Cc1cc2ccccc2[nH]c1=O ZINC000110107969 333326380 /nfs/dbraw/zinc/32/63/80/333326380.db2.gz SHJKZYQSNYGVAK-UHFFFAOYSA-N 1 1 322.383 3.855 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000521424412 333380154 /nfs/dbraw/zinc/38/01/54/333380154.db2.gz ANKYULFDMKOVPE-IBGZPJMESA-N 1 1 324.399 3.783 20 30 DHEDMO N#CCc1ccc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1 ZINC000343423284 335163757 /nfs/dbraw/zinc/16/37/57/335163757.db2.gz OKUPOKGTVDAVOF-OAQYLSRUSA-N 1 1 320.436 3.526 20 30 DHEDMO CC[N@@H+](Cc1ccc(OC)cc1OC)CC(C)(C)CCC#N ZINC000271113050 334018796 /nfs/dbraw/zinc/01/87/96/334018796.db2.gz VFVOHRMNZJKQQV-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO Cc1cc(C[C@@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)n[nH]1 ZINC000271573735 334024531 /nfs/dbraw/zinc/02/45/31/334024531.db2.gz ZBWOBWNWAQOVBR-MYWSLZCHSA-N 1 1 322.456 3.643 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000272023547 334029664 /nfs/dbraw/zinc/02/96/64/334029664.db2.gz NMVINFDNWGMEPU-CVEARBPZSA-N 1 1 304.434 3.888 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@]1(C)CCCO ZINC000272058354 334030307 /nfs/dbraw/zinc/03/03/07/334030307.db2.gz WBPBQYUKJKVIMH-IBGZPJMESA-N 1 1 300.446 3.615 20 30 DHEDMO N#CCC[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000274860361 334067196 /nfs/dbraw/zinc/06/71/96/334067196.db2.gz HYPOTOXDICJIHD-UHFFFAOYSA-N 1 1 312.335 3.710 20 30 DHEDMO COCC[N@@H+](CCCCC(C)(C)C#N)Cc1ccc(C#N)cc1 ZINC000277817973 334091174 /nfs/dbraw/zinc/09/11/74/334091174.db2.gz VKVHBQVHSTVGHW-UHFFFAOYSA-N 1 1 313.445 3.727 20 30 DHEDMO N#CC1(CCC[N@H+](Cc2ccccc2F)C2CC2)CCOCC1 ZINC000281952927 334130026 /nfs/dbraw/zinc/13/00/26/334130026.db2.gz JTEUGQKHHHSQOP-UHFFFAOYSA-N 1 1 316.420 3.891 20 30 DHEDMO CC[C@@H](c1ccncc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000282086509 334131131 /nfs/dbraw/zinc/13/11/31/334131131.db2.gz UXYIYYHQOFJLNE-KRWDZBQOSA-N 1 1 301.434 3.565 20 30 DHEDMO CCC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1O ZINC000282120838 334131623 /nfs/dbraw/zinc/13/16/23/334131623.db2.gz XUCJORHWAHYOMQ-UHFFFAOYSA-N 1 1 316.445 3.705 20 30 DHEDMO CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(F)cc1O ZINC000286030082 334150881 /nfs/dbraw/zinc/15/08/81/334150881.db2.gz KDANPLDPEZBTBP-KRWDZBQOSA-N 1 1 314.360 3.675 20 30 DHEDMO CCC(CC)C[N@@H+](CC)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000343590156 335179935 /nfs/dbraw/zinc/17/99/35/335179935.db2.gz OBUIFAMYHRTHNY-CYBMUJFWSA-N 1 1 319.449 3.853 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CCC1(F)F ZINC000291558823 334179811 /nfs/dbraw/zinc/17/98/11/334179811.db2.gz MVSUGXNBBCHSIS-AWEZNQCLSA-N 1 1 307.388 3.514 20 30 DHEDMO CN(CCC#N)c1ccc(CNc2cccc(C3CC3)[nH+]2)cc1 ZINC000292937516 334194482 /nfs/dbraw/zinc/19/44/82/334194482.db2.gz JPOGAZSGNHFCLG-UHFFFAOYSA-N 1 1 306.413 3.921 20 30 DHEDMO N#CC1CC[NH+](Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000123700577 334283036 /nfs/dbraw/zinc/28/30/36/334283036.db2.gz KFRFBGZAQAMIDM-UHFFFAOYSA-N 1 1 302.324 3.960 20 30 DHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CC(C)C)c1 ZINC000340671929 334298585 /nfs/dbraw/zinc/29/85/85/334298585.db2.gz DZSWSGDVRVURHW-QGZVFWFLSA-N 1 1 315.461 3.526 20 30 DHEDMO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000111256789 334314384 /nfs/dbraw/zinc/31/43/84/334314384.db2.gz TXYOZLYHLLWWAJ-NSHDSACASA-N 1 1 310.800 3.704 20 30 DHEDMO COc1nc2ccccc2cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000535072196 334364581 /nfs/dbraw/zinc/36/45/81/334364581.db2.gz DWWAXNKAZUNBRW-UHFFFAOYSA-N 1 1 317.392 3.747 20 30 DHEDMO COc1nc2ccccc2cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000535072196 334364582 /nfs/dbraw/zinc/36/45/82/334364582.db2.gz DWWAXNKAZUNBRW-UHFFFAOYSA-N 1 1 317.392 3.747 20 30 DHEDMO CCCCOc1cc(C[N@H+](CCC#N)C(C)C)ccc1OC ZINC000535077528 334365192 /nfs/dbraw/zinc/36/51/92/334365192.db2.gz SBONDDFOBLCAGN-UHFFFAOYSA-N 1 1 304.434 3.998 20 30 DHEDMO CCCCOc1cc(C[N@@H+](CCC#N)C(C)C)ccc1OC ZINC000535077528 334365193 /nfs/dbraw/zinc/36/51/93/334365193.db2.gz SBONDDFOBLCAGN-UHFFFAOYSA-N 1 1 304.434 3.998 20 30 DHEDMO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2ccccc2)c1C#N ZINC000535226412 334380700 /nfs/dbraw/zinc/38/07/00/334380700.db2.gz OCRIHTKAFUQUFT-AWEZNQCLSA-N 1 1 308.381 3.538 20 30 DHEDMO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2ccccc2)c1C#N ZINC000535226412 334380701 /nfs/dbraw/zinc/38/07/01/334380701.db2.gz OCRIHTKAFUQUFT-AWEZNQCLSA-N 1 1 308.381 3.538 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000340868378 334391833 /nfs/dbraw/zinc/39/18/33/334391833.db2.gz AUPMBZSEEVXBHD-HNNXBMFYSA-N 1 1 310.372 3.695 20 30 DHEDMO COc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2F)cc1F ZINC000341030659 334403171 /nfs/dbraw/zinc/40/31/71/334403171.db2.gz HBOANMVXLDJQCJ-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO COCC[C@H]([NH2+]CC1(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000342045542 334504692 /nfs/dbraw/zinc/50/46/92/334504692.db2.gz JBTOBGQIPUNVEI-AWEZNQCLSA-N 1 1 313.228 3.964 20 30 DHEDMO COCC1(C#N)CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000343152641 334602209 /nfs/dbraw/zinc/60/22/09/334602209.db2.gz WTEDSFYUGLXMAS-UHFFFAOYSA-N 1 1 315.804 3.645 20 30 DHEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)Cc1ccc(Cl)c(Cl)c1 ZINC000343652634 335185243 /nfs/dbraw/zinc/18/52/43/335185243.db2.gz TWKYYSZDPWCRIO-LLVKDONJSA-N 1 1 315.244 3.506 20 30 DHEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CC)Cc1ccc(Cl)c(Cl)c1 ZINC000343652634 335185244 /nfs/dbraw/zinc/18/52/44/335185244.db2.gz TWKYYSZDPWCRIO-LLVKDONJSA-N 1 1 315.244 3.506 20 30 DHEDMO C[C@@H]1COC[C@H](c2ccccc2)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343713002 335186186 /nfs/dbraw/zinc/18/61/86/335186186.db2.gz GWQKTNSDXGAJSD-OXQOHEQNSA-N 1 1 306.409 3.715 20 30 DHEDMO C[C@@H]1COC[C@H](c2ccccc2)[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343713002 335186188 /nfs/dbraw/zinc/18/61/88/335186188.db2.gz GWQKTNSDXGAJSD-OXQOHEQNSA-N 1 1 306.409 3.715 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344134699 335220764 /nfs/dbraw/zinc/22/07/64/335220764.db2.gz YZZJOPJASIRHPE-MRXNPFEDSA-N 1 1 319.408 3.640 20 30 DHEDMO N#CC1(CCC[N@H+]2CC[C@H](CC3CCCC3)C2)CCOCC1 ZINC000366864730 335246419 /nfs/dbraw/zinc/24/64/19/335246419.db2.gz AFYROWRKTNPSIO-GOSISDBHSA-N 1 1 304.478 3.989 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)o1 ZINC000345680882 335341327 /nfs/dbraw/zinc/34/13/27/335341327.db2.gz BIISVDIFWRPQMN-HNNXBMFYSA-N 1 1 302.761 3.808 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)o1 ZINC000345706896 335349236 /nfs/dbraw/zinc/34/92/36/335349236.db2.gz NNTCDXYLBUIREK-OAHLLOKOSA-N 1 1 302.761 3.808 20 30 DHEDMO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CCC(C)(C)C#N)cn1 ZINC000345709820 335349592 /nfs/dbraw/zinc/34/95/92/335349592.db2.gz KIISOOSHFYWBLK-KRWDZBQOSA-N 1 1 314.408 3.520 20 30 DHEDMO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CCC(C)(C)C#N)cn1 ZINC000345709820 335349593 /nfs/dbraw/zinc/34/95/93/335349593.db2.gz KIISOOSHFYWBLK-KRWDZBQOSA-N 1 1 314.408 3.520 20 30 DHEDMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000350463673 335754979 /nfs/dbraw/zinc/75/49/79/335754979.db2.gz VHNQQWRNSNVRJC-SWLSCSKDSA-N 1 1 300.793 3.512 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](C3CC3)C2)c(C#N)c1C ZINC000329622763 336015105 /nfs/dbraw/zinc/01/51/05/336015105.db2.gz FWLQSKUAIOMAST-AWEZNQCLSA-N 1 1 317.458 3.947 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](C3CC3)C2)c(C#N)c1C ZINC000329622763 336015107 /nfs/dbraw/zinc/01/51/07/336015107.db2.gz FWLQSKUAIOMAST-AWEZNQCLSA-N 1 1 317.458 3.947 20 30 DHEDMO C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000329899466 336093338 /nfs/dbraw/zinc/09/33/38/336093338.db2.gz NAGOCKLSIXLKCT-BCGZFJLLSA-N 1 1 321.465 3.546 20 30 DHEDMO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000329899466 336093339 /nfs/dbraw/zinc/09/33/39/336093339.db2.gz NAGOCKLSIXLKCT-BCGZFJLLSA-N 1 1 321.465 3.546 20 30 DHEDMO O=C(NC[C@H](O)C1CCCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000330030503 336107420 /nfs/dbraw/zinc/10/74/20/336107420.db2.gz RSQQAYMCBOZXLY-WMZOPIPTSA-N 1 1 322.493 3.539 20 30 DHEDMO Cc1[nH]nc(-c2ccccc2)c1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000330173155 336120801 /nfs/dbraw/zinc/12/08/01/336120801.db2.gz HCBDOYUIZSTVQA-BETUJISGSA-N 1 1 312.417 3.846 20 30 DHEDMO Cc1c(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cnn1C1CCCC1 ZINC000330225505 336126772 /nfs/dbraw/zinc/12/67/72/336126772.db2.gz OGFWCHPOEKKZTO-INIZCTEOSA-N 1 1 302.422 3.521 20 30 DHEDMO Cc1c(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cnn1C1CCCC1 ZINC000330225505 336126774 /nfs/dbraw/zinc/12/67/74/336126774.db2.gz OGFWCHPOEKKZTO-INIZCTEOSA-N 1 1 302.422 3.521 20 30 DHEDMO N#Cc1cccc(C[NH2+]Cc2ccc(Sc3ccccn3)o2)c1 ZINC000352113723 336195400 /nfs/dbraw/zinc/19/54/00/336195400.db2.gz MSAGJHHHIAXWNZ-UHFFFAOYSA-N 1 1 321.405 3.987 20 30 DHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000333561794 336205616 /nfs/dbraw/zinc/20/56/16/336205616.db2.gz RSBUHZILLZJACH-IPYPFGDCSA-N 1 1 317.458 3.601 20 30 DHEDMO CC1(c2nc3ccccc3s2)CC[NH+](CC2(C#N)CC2)CC1 ZINC000352544196 336223634 /nfs/dbraw/zinc/22/36/34/336223634.db2.gz OXSQWDVZZAQLIS-UHFFFAOYSA-N 1 1 311.454 3.954 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)C1 ZINC000352618684 336227232 /nfs/dbraw/zinc/22/72/32/336227232.db2.gz SKZVDGRMVNFTDJ-JKSUJKDBSA-N 1 1 322.456 3.827 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](CC)C[C@@H]2CCCO2)ccc1OC ZINC000352653250 336228919 /nfs/dbraw/zinc/22/89/19/336228919.db2.gz VPMJOCSWMTZUAF-KRWDZBQOSA-N 1 1 319.445 3.651 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccn(-c2ccccc2)n1 ZINC000352702552 336231408 /nfs/dbraw/zinc/23/14/08/336231408.db2.gz ZBQAGSWOOBOODS-UHFFFAOYSA-N 1 1 307.397 3.696 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccn(-c2ccccc2)n1 ZINC000352702552 336231409 /nfs/dbraw/zinc/23/14/09/336231409.db2.gz ZBQAGSWOOBOODS-UHFFFAOYSA-N 1 1 307.397 3.696 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)CC(=O)c1c[nH]c2ccccc12 ZINC000352721163 336232389 /nfs/dbraw/zinc/23/23/89/336232389.db2.gz QEUKULFEVXSSFY-UHFFFAOYSA-N 1 1 308.381 3.674 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)c1c[nH]c2ccccc12 ZINC000352721163 336232390 /nfs/dbraw/zinc/23/23/90/336232390.db2.gz QEUKULFEVXSSFY-UHFFFAOYSA-N 1 1 308.381 3.674 20 30 DHEDMO C[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(OCC#N)cc1 ZINC000192944412 336285575 /nfs/dbraw/zinc/28/55/75/336285575.db2.gz VUAZGNOSOKXJHZ-AWEZNQCLSA-N 1 1 315.461 3.549 20 30 DHEDMO COCCC[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193045765 336287359 /nfs/dbraw/zinc/28/73/59/336287359.db2.gz JSPMZBNKCZKXQJ-UHFFFAOYSA-N 1 1 322.452 3.855 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc(C#N)cc2)cc1F ZINC000301092019 336289526 /nfs/dbraw/zinc/28/95/26/336289526.db2.gz FVLMCUDTUJXTMK-UHFFFAOYSA-N 1 1 306.344 3.804 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cccc(C#N)n2)C1 ZINC000301296864 336299469 /nfs/dbraw/zinc/29/94/69/336299469.db2.gz YCBIGZHRJBRJPF-INIZCTEOSA-N 1 1 320.440 3.797 20 30 DHEDMO N#Cc1cc(F)ccc1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000301402556 336304533 /nfs/dbraw/zinc/30/45/33/336304533.db2.gz JQICVXIIGWMQRD-KRWDZBQOSA-N 1 1 323.415 3.674 20 30 DHEDMO CC1=CC[N@@H+](CCNc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000302159361 336351553 /nfs/dbraw/zinc/35/15/53/336351553.db2.gz OXSHHZOEALVOPM-UHFFFAOYSA-N 1 1 309.335 3.641 20 30 DHEDMO CC1=CC[N@@H+](CCNc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000302182945 336352930 /nfs/dbraw/zinc/35/29/30/336352930.db2.gz FUHZPGPORJIBIY-UHFFFAOYSA-N 1 1 309.335 3.641 20 30 DHEDMO C=CCN(CCOC)c1cc[nH+]c2cc(Br)ccc21 ZINC000302712238 336366054 /nfs/dbraw/zinc/36/60/54/336366054.db2.gz LDOIYCZWUKUNRA-UHFFFAOYSA-N 1 1 321.218 3.636 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2c(C#N)cccc2C#N)C1 ZINC000302895734 336373515 /nfs/dbraw/zinc/37/35/15/336373515.db2.gz QWOSEMFZGKMFED-DLBZAZTESA-N 1 1 322.456 3.521 20 30 DHEDMO CSc1cccc(F)c1C[NH2+]Cc1ccc(C#N)cc1F ZINC000352920877 336377204 /nfs/dbraw/zinc/37/72/04/336377204.db2.gz CIUFEBQRVSMQIJ-UHFFFAOYSA-N 1 1 304.365 3.848 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2nccn2-c2ccccc2)cc1 ZINC000352926581 336377597 /nfs/dbraw/zinc/37/75/97/336377597.db2.gz WPBSJIDXVRJWLO-UHFFFAOYSA-N 1 1 319.408 3.727 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(OC)cc1OC ZINC000352928152 336377787 /nfs/dbraw/zinc/37/77/87/336377787.db2.gz CAPODCWNIOHJSD-UHFFFAOYSA-N 1 1 301.386 3.528 20 30 DHEDMO Cc1n[nH]cc1C[NH2+][C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370559004 336887645 /nfs/dbraw/zinc/88/76/45/336887645.db2.gz VVAWUNJGMZIDIN-LBPRGKRZSA-N 1 1 323.425 3.564 20 30 DHEDMO C[N@H+]1CCCC12CCN(Cc1ccccc1C(C)(C)C#N)CC2 ZINC000374983065 337000919 /nfs/dbraw/zinc/00/09/19/337000919.db2.gz UXLFIYXACVJZQG-UHFFFAOYSA-N 1 1 311.473 3.548 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000375013260 337001505 /nfs/dbraw/zinc/00/15/05/337001505.db2.gz PDQMFDHSDRHBFM-UHFFFAOYSA-N 1 1 314.392 3.724 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000375013260 337001506 /nfs/dbraw/zinc/00/15/06/337001506.db2.gz PDQMFDHSDRHBFM-UHFFFAOYSA-N 1 1 314.392 3.724 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000375120224 337003730 /nfs/dbraw/zinc/00/37/30/337003730.db2.gz IXOCJGXUDFUBQC-JKSUJKDBSA-N 1 1 303.450 3.600 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]2/C=C/c2cccs2)cc1 ZINC000375150929 337004478 /nfs/dbraw/zinc/00/44/78/337004478.db2.gz HSRDPWXRIUPQGL-TXLWSROUSA-N 1 1 324.449 3.831 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000375618189 337014821 /nfs/dbraw/zinc/01/48/21/337014821.db2.gz MXSJYUNDXMSBNC-SFHVURJKSA-N 1 1 308.429 3.938 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000375618189 337014822 /nfs/dbraw/zinc/01/48/22/337014822.db2.gz MXSJYUNDXMSBNC-SFHVURJKSA-N 1 1 308.429 3.938 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)c1 ZINC000122624507 337016778 /nfs/dbraw/zinc/01/67/78/337016778.db2.gz XWRWRSBXQYAGET-LJQANCHMSA-N 1 1 304.393 3.796 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000122659059 337017642 /nfs/dbraw/zinc/01/76/42/337017642.db2.gz VMXYPUYZODVNIO-IBGZPJMESA-N 1 1 304.393 3.796 20 30 DHEDMO C[N@H+]1CC[C@H](Nc2cccc(OCCCC#N)c2)[C@@H]2CCC[C@H]21 ZINC000375850127 337021367 /nfs/dbraw/zinc/02/13/67/337021367.db2.gz IQTAUKVHAUPTQQ-GBESFXJTSA-N 1 1 313.445 3.654 20 30 DHEDMO C[N@H+]1CCC[C@@H](CNc2cc(C#N)ccn2)[C@@H]1c1cccs1 ZINC000376449698 337033711 /nfs/dbraw/zinc/03/37/11/337033711.db2.gz QINAIQZVJRFNJA-WMLDXEAASA-N 1 1 312.442 3.510 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000376532125 337036023 /nfs/dbraw/zinc/03/60/23/337036023.db2.gz RGCNZUWWEKSXAM-KSSFIOAISA-N 1 1 307.397 3.545 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000377699433 337058920 /nfs/dbraw/zinc/05/89/20/337058920.db2.gz MHSCVJQLFXBBJA-OAHLLOKOSA-N 1 1 308.381 3.860 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2C)c1 ZINC000378370067 337071009 /nfs/dbraw/zinc/07/10/09/337071009.db2.gz KQGSMANWXHOOKJ-IBGZPJMESA-N 1 1 311.429 3.630 20 30 DHEDMO CC[N@@H+](C[C@@H](O)Cc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193759042 337079345 /nfs/dbraw/zinc/07/93/45/337079345.db2.gz OSMQBSGMUVUGQQ-JXFKEZNVSA-N 1 1 308.425 3.545 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2ccncc2)s1 ZINC000176956271 337153840 /nfs/dbraw/zinc/15/38/40/337153840.db2.gz YDCCZJWIHRIIGD-GOSISDBHSA-N 1 1 305.406 3.894 20 30 DHEDMO C=CCCCC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000177545558 337156452 /nfs/dbraw/zinc/15/64/52/337156452.db2.gz KIMDZKRGTIPSRX-HZPDHXFCSA-N 1 1 316.445 3.591 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(COC)c1 ZINC000179203792 337168180 /nfs/dbraw/zinc/16/81/80/337168180.db2.gz GCOAXPKITPGFLK-UHFFFAOYSA-N 1 1 306.409 3.893 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)Cc2scnc2C)cc1OC ZINC000179427830 337169444 /nfs/dbraw/zinc/16/94/44/337169444.db2.gz LIUSJKXWEZHRRU-UHFFFAOYSA-N 1 1 318.442 3.657 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2scnc2C)cc1OC ZINC000179427830 337169445 /nfs/dbraw/zinc/16/94/45/337169445.db2.gz LIUSJKXWEZHRRU-UHFFFAOYSA-N 1 1 318.442 3.657 20 30 DHEDMO CCC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CC1 ZINC000180096904 337173713 /nfs/dbraw/zinc/17/37/13/337173713.db2.gz LPCGRBCTBFFMSC-UHFFFAOYSA-N 1 1 308.429 3.838 20 30 DHEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000181579093 337183145 /nfs/dbraw/zinc/18/31/45/337183145.db2.gz KJPJYDUGOUSRIF-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000184083280 337195964 /nfs/dbraw/zinc/19/59/64/337195964.db2.gz NGPCJBDUVMLFPL-OAHLLOKOSA-N 1 1 316.836 3.924 20 30 DHEDMO CC[N@@H+](CCc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000583087428 337233706 /nfs/dbraw/zinc/23/37/06/337233706.db2.gz UOPKIHURBNRDTR-UHFFFAOYSA-N 1 1 309.369 3.531 20 30 DHEDMO COc1ccc(Br)cc1C[NH+]1CCC(CC#N)CC1 ZINC000397278139 337258516 /nfs/dbraw/zinc/25/85/16/337258516.db2.gz LVZYAACYVWMIQJ-UHFFFAOYSA-N 1 1 323.234 3.583 20 30 DHEDMO C=CCC1(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCC1 ZINC000190107479 337285049 /nfs/dbraw/zinc/28/50/49/337285049.db2.gz PQXMCXXQOWZWGA-HZPDHXFCSA-N 1 1 304.478 3.502 20 30 DHEDMO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(C#N)c(F)c1 ZINC000191895357 337300940 /nfs/dbraw/zinc/30/09/40/337300940.db2.gz LNNVIVOHPGPRIL-UHFFFAOYSA-N 1 1 320.371 3.515 20 30 DHEDMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(C#N)c(F)c1 ZINC000191895357 337300941 /nfs/dbraw/zinc/30/09/41/337300941.db2.gz LNNVIVOHPGPRIL-UHFFFAOYSA-N 1 1 320.371 3.515 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H](CN2CCCC2)c2ccccc2)cc1F ZINC000192150344 337303307 /nfs/dbraw/zinc/30/33/07/337303307.db2.gz HFQBDHJTLVAEJS-HXUWFJFHSA-N 1 1 323.415 3.624 20 30 DHEDMO Cc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)c(C)c1 ZINC000532930695 337393361 /nfs/dbraw/zinc/39/33/61/337393361.db2.gz OBTLSWCUGPNEMG-INIZCTEOSA-N 1 1 321.424 3.807 20 30 DHEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccccc1Cl)C[C@H](C)C#N ZINC000120491357 337395887 /nfs/dbraw/zinc/39/58/87/337395887.db2.gz OUYWOGQBVXEJHQ-CYBMUJFWSA-N 1 1 316.836 3.722 20 30 DHEDMO CC[N@H+](Cc1cn(C)nc1-c1ccccc1Cl)C[C@H](C)C#N ZINC000120491357 337395888 /nfs/dbraw/zinc/39/58/88/337395888.db2.gz OUYWOGQBVXEJHQ-CYBMUJFWSA-N 1 1 316.836 3.722 20 30 DHEDMO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccccc1Cl ZINC000069244810 337545677 /nfs/dbraw/zinc/54/56/77/337545677.db2.gz CZNADJPZJBXRBX-JTQLQIEISA-N 1 1 319.817 3.562 20 30 DHEDMO CCCc1[nH+]ccn1Cc1ccc(Br)cc1C#N ZINC000286493603 337610999 /nfs/dbraw/zinc/61/09/99/337610999.db2.gz LNRYUFCQTRLABM-UHFFFAOYSA-N 1 1 304.191 3.518 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000424705646 337953431 /nfs/dbraw/zinc/95/34/31/337953431.db2.gz JPRFPQSFQPKTDY-CQSZACIVSA-N 1 1 311.429 3.960 20 30 DHEDMO CC[N@@H+](CCc1cccs1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000516476224 338013375 /nfs/dbraw/zinc/01/33/75/338013375.db2.gz OZYCCOOMGXGMFE-UHFFFAOYSA-N 1 1 315.398 3.593 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@@H+]2CC#Cc2ccc(Cl)cc2)on1 ZINC000426397226 338030473 /nfs/dbraw/zinc/03/04/73/338030473.db2.gz RRQQWVHLGMILOL-INIZCTEOSA-N 1 1 300.789 3.825 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@H+]2CC#Cc2ccc(Cl)cc2)on1 ZINC000426397226 338030474 /nfs/dbraw/zinc/03/04/74/338030474.db2.gz RRQQWVHLGMILOL-INIZCTEOSA-N 1 1 300.789 3.825 20 30 DHEDMO CCC[N@@H+](Cc1cccc(F)c1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000428220055 338042973 /nfs/dbraw/zinc/04/29/73/338042973.db2.gz ZZZBQNCOSSTLGO-QGTPRVQTSA-N 1 1 316.420 3.723 20 30 DHEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428395589 338050023 /nfs/dbraw/zinc/05/00/23/338050023.db2.gz BXMDDUAJVVOCQI-KRWDZBQOSA-N 1 1 324.399 3.913 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]32)cc1OCCCC#N ZINC000428455498 338052755 /nfs/dbraw/zinc/05/27/55/338052755.db2.gz JEKYICSBBKMHSM-SJORKVTESA-N 1 1 314.429 3.752 20 30 DHEDMO C=C(C)C[N@@H+](CC)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000448454302 338067687 /nfs/dbraw/zinc/06/76/87/338067687.db2.gz JDRSPHNMDLNNBY-OAHLLOKOSA-N 1 1 301.352 3.507 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429229435 338073936 /nfs/dbraw/zinc/07/39/36/338073936.db2.gz CRCVULREFKMTQQ-HZPDHXFCSA-N 1 1 323.415 3.969 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429245697 338074478 /nfs/dbraw/zinc/07/44/78/338074478.db2.gz LBABXKFMSSOKQI-HOTGVXAUSA-N 1 1 323.415 3.969 20 30 DHEDMO CC1(C)CN(c2ccc(Cl)cc2)CC[N@H+]1CCCCC#N ZINC000429296208 338077095 /nfs/dbraw/zinc/07/70/95/338077095.db2.gz RJWATASISDADNO-UHFFFAOYSA-N 1 1 305.853 3.934 20 30 DHEDMO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1CCCCC(C)(C)C#N ZINC000429396201 338079486 /nfs/dbraw/zinc/07/94/86/338079486.db2.gz ATLVOQHVZCMCDZ-IYBDPMFKSA-N 1 1 321.509 3.674 20 30 DHEDMO C=CCN1CC[N@H+](CCCc2ccccc2)C[C@@H]1CC(C)C ZINC000429405018 338079691 /nfs/dbraw/zinc/07/96/91/338079691.db2.gz IHCLVAXYMKROLO-FQEVSTJZSA-N 1 1 300.490 3.838 20 30 DHEDMO C=CC[N@H+]1CCN(CCCc2ccccc2)C[C@@H]1CC(C)C ZINC000429405018 338079692 /nfs/dbraw/zinc/07/96/92/338079692.db2.gz IHCLVAXYMKROLO-FQEVSTJZSA-N 1 1 300.490 3.838 20 30 DHEDMO C=CC[N@@H+]1CCN(CCCc2ccccc2)C[C@@H]1CC(C)C ZINC000429405018 338079693 /nfs/dbraw/zinc/07/96/93/338079693.db2.gz IHCLVAXYMKROLO-FQEVSTJZSA-N 1 1 300.490 3.838 20 30 DHEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000429566385 338084214 /nfs/dbraw/zinc/08/42/14/338084214.db2.gz JSUIHHBVEMXDQG-KSSFIOAISA-N 1 1 308.429 3.579 20 30 DHEDMO C[C@@H](CC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccccc1 ZINC000430157493 338099428 /nfs/dbraw/zinc/09/94/28/338099428.db2.gz QQJCTQUQANFCEQ-QFBILLFUSA-N 1 1 321.424 3.600 20 30 DHEDMO C[C@@H](CC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1 ZINC000430157492 338099501 /nfs/dbraw/zinc/09/95/01/338099501.db2.gz QQJCTQUQANFCEQ-LPHOPBHVSA-N 1 1 321.424 3.600 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@H](CSC)C2)cc(OC)c1O ZINC000430190638 338100339 /nfs/dbraw/zinc/10/03/39/338100339.db2.gz GSFQQQWBFACNOP-AWEZNQCLSA-N 1 1 321.486 3.704 20 30 DHEDMO C=CCN1CCC([NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432242209 338150079 /nfs/dbraw/zinc/15/00/79/338150079.db2.gz XJUPTUVVYOMBJM-UHFFFAOYSA-N 1 1 317.235 3.873 20 30 DHEDMO CC(C)C1CCC([N@@H+](C)Cc2cnc3ccc(C#N)cn23)CC1 ZINC000433029752 338177362 /nfs/dbraw/zinc/17/73/62/338177362.db2.gz HUKFKMBNMIJYFD-UHFFFAOYSA-N 1 1 310.445 3.853 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)cc1OCCCC#N ZINC000433050593 338178599 /nfs/dbraw/zinc/17/85/99/338178599.db2.gz CGPOPZYMWUDAAJ-NVXWUHKLSA-N 1 1 316.445 3.998 20 30 DHEDMO C=CCCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434745561 338224722 /nfs/dbraw/zinc/22/47/22/338224722.db2.gz XOTOXSLWCYDNKL-NEWSRXKRSA-N 1 1 301.478 3.751 20 30 DHEDMO C=CCCC[NH+]1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000434800077 338226002 /nfs/dbraw/zinc/22/60/02/338226002.db2.gz ZGMCQDCXAYDHSW-UHFFFAOYSA-N 1 1 314.454 3.625 20 30 DHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000435066896 338231600 /nfs/dbraw/zinc/23/16/00/338231600.db2.gz WYFRSEGDXUJSSG-FUHWJXTLSA-N 1 1 314.429 3.530 20 30 DHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000435066896 338231601 /nfs/dbraw/zinc/23/16/01/338231601.db2.gz WYFRSEGDXUJSSG-FUHWJXTLSA-N 1 1 314.429 3.530 20 30 DHEDMO C=CCC[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000435268151 338235834 /nfs/dbraw/zinc/23/58/34/338235834.db2.gz DEAOCSXFKWZFOF-FQEVSTJZSA-N 1 1 322.452 3.942 20 30 DHEDMO C=CCC[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000435268151 338235835 /nfs/dbraw/zinc/23/58/35/338235835.db2.gz DEAOCSXFKWZFOF-FQEVSTJZSA-N 1 1 322.452 3.942 20 30 DHEDMO N#Cc1cccc(C#N)c1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435600525 338243203 /nfs/dbraw/zinc/24/32/03/338243203.db2.gz CUDUHGUBBJRPOC-SFHVURJKSA-N 1 1 308.429 3.639 20 30 DHEDMO N#Cc1ccc(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)s1 ZINC000435732520 338246858 /nfs/dbraw/zinc/24/68/58/338246858.db2.gz QLPITIAHPPHFFZ-HNNXBMFYSA-N 1 1 303.475 3.506 20 30 DHEDMO N#Cc1ccc(C[NH2+]C[C@@H]2CCCN2C2CCCCC2)s1 ZINC000435732520 338246859 /nfs/dbraw/zinc/24/68/59/338246859.db2.gz QLPITIAHPPHFFZ-HNNXBMFYSA-N 1 1 303.475 3.506 20 30 DHEDMO Cc1cc(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)ccc1C#N ZINC000435743930 338247638 /nfs/dbraw/zinc/24/76/38/338247638.db2.gz CIANTBQYFMWQSR-FQEVSTJZSA-N 1 1 311.473 3.753 20 30 DHEDMO Cc1cc(C[NH2+]C[C@@H]2CCCN2C2CCCCC2)ccc1C#N ZINC000435743930 338247639 /nfs/dbraw/zinc/24/76/39/338247639.db2.gz CIANTBQYFMWQSR-FQEVSTJZSA-N 1 1 311.473 3.753 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000437849369 338323338 /nfs/dbraw/zinc/32/33/38/338323338.db2.gz GCVOFULZAPKVRI-YJBOKZPZSA-N 1 1 306.409 3.945 20 30 DHEDMO CC(C)N(C)c1ccccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000438347771 338340658 /nfs/dbraw/zinc/34/06/58/338340658.db2.gz VAEFKXQSNLMICS-UHFFFAOYSA-N 1 1 311.404 3.832 20 30 DHEDMO Cc1ccc(C[N@H+](CCO)Cc2ccc(C#N)cc2Cl)cc1 ZINC000439426022 338368905 /nfs/dbraw/zinc/36/89/05/338368905.db2.gz VHAIXLVUDDGYLS-UHFFFAOYSA-N 1 1 314.816 3.515 20 30 DHEDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(C#N)cc2Cl)cc1 ZINC000439426022 338368906 /nfs/dbraw/zinc/36/89/06/338368906.db2.gz VHAIXLVUDDGYLS-UHFFFAOYSA-N 1 1 314.816 3.515 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCCO)Cc2ccccc2)c(Cl)c1 ZINC000439445197 338369634 /nfs/dbraw/zinc/36/96/34/338369634.db2.gz YGVGLTGRYFNASJ-UHFFFAOYSA-N 1 1 314.816 3.596 20 30 DHEDMO N#Cc1ccc(C[N@@H+](CCCO)Cc2ccccc2)c(Cl)c1 ZINC000439445197 338369635 /nfs/dbraw/zinc/36/96/35/338369635.db2.gz YGVGLTGRYFNASJ-UHFFFAOYSA-N 1 1 314.816 3.596 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000440520934 338389027 /nfs/dbraw/zinc/38/90/27/338389027.db2.gz AFXRFSHQIGNZCK-UHFFFAOYSA-N 1 1 320.436 3.958 20 30 DHEDMO C=CCC[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C(=O)OCC ZINC000449661249 338644880 /nfs/dbraw/zinc/64/48/80/338644880.db2.gz ZPKBHEAXPOLJJJ-BPCQOVAHSA-N 1 1 307.356 3.595 20 30 DHEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000451605202 338740193 /nfs/dbraw/zinc/74/01/93/338740193.db2.gz CSYHGBGETLRHOS-GLQYFDAESA-N 1 1 318.804 3.989 20 30 DHEDMO N#CCC[C@H](C#N)C[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000451950282 338748716 /nfs/dbraw/zinc/74/87/16/338748716.db2.gz GHCHVHIPOFTTPB-OAHLLOKOSA-N 1 1 317.383 3.663 20 30 DHEDMO N#Cc1ccc(C2=CC[N@H+](Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459358650 339024356 /nfs/dbraw/zinc/02/43/56/339024356.db2.gz NAVHGIJXNJWMMD-UHFFFAOYSA-N 1 1 316.408 3.515 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459358650 339024357 /nfs/dbraw/zinc/02/43/57/339024357.db2.gz NAVHGIJXNJWMMD-UHFFFAOYSA-N 1 1 316.408 3.515 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000459388132 339026391 /nfs/dbraw/zinc/02/63/91/339026391.db2.gz NVCSIBMUAKSTLH-GOSISDBHSA-N 1 1 307.353 3.707 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1cc(Br)c(O)c(OCC)c1 ZINC000459465911 339030766 /nfs/dbraw/zinc/03/07/66/339030766.db2.gz QJVFTJRCKQNTJP-UHFFFAOYSA-N 1 1 314.223 3.561 20 30 DHEDMO N#CCCCCN1CC[N@@H+](CCCCC#N)C[C@@H]1c1ccccc1 ZINC000459500099 339032719 /nfs/dbraw/zinc/03/27/19/339032719.db2.gz BOJXQNHVSCBSDV-HXUWFJFHSA-N 1 1 324.472 3.733 20 30 DHEDMO N#CCCCCN1CC[N@H+](CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000459500099 339032720 /nfs/dbraw/zinc/03/27/20/339032720.db2.gz BOJXQNHVSCBSDV-HXUWFJFHSA-N 1 1 324.472 3.733 20 30 DHEDMO N#CCCCCN1CC[N@@H+](CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000459500099 339032721 /nfs/dbraw/zinc/03/27/21/339032721.db2.gz BOJXQNHVSCBSDV-HXUWFJFHSA-N 1 1 324.472 3.733 20 30 DHEDMO N#Cc1ccc(OCCNc2cc[nH+]c3ccc(Cl)cc23)cc1 ZINC000462911810 339097687 /nfs/dbraw/zinc/09/76/87/339097687.db2.gz OVGZPGHFSCYAPM-UHFFFAOYSA-N 1 1 323.783 3.673 20 30 DHEDMO CC1(C)[C@H](O)CC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000463237585 339110994 /nfs/dbraw/zinc/11/09/94/339110994.db2.gz WQHGABWIFRAYTQ-LJQANCHMSA-N 1 1 306.409 3.570 20 30 DHEDMO C=CC[N@H+](CCCC1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000463287169 339113485 /nfs/dbraw/zinc/11/34/85/339113485.db2.gz JANLXSYKDNNLAW-UHFFFAOYSA-N 1 1 318.417 3.790 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000466657059 339212162 /nfs/dbraw/zinc/21/21/62/339212162.db2.gz RFQMDRXRUGZNRA-QGZVFWFLSA-N 1 1 320.521 3.949 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000467300481 339230383 /nfs/dbraw/zinc/23/03/83/339230383.db2.gz DIQWTRQJRLDRED-IBGZPJMESA-N 1 1 318.436 3.681 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000467993755 339250657 /nfs/dbraw/zinc/25/06/57/339250657.db2.gz JNVGQNOVHXSKHX-IBGZPJMESA-N 1 1 300.446 3.864 20 30 DHEDMO N#C[C@@H]1CC[C@H]([NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000471889099 339356873 /nfs/dbraw/zinc/35/68/73/339356873.db2.gz NAZOQPCJZFUZBV-MNEFBYGVSA-N 1 1 319.408 3.648 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000472652908 339375814 /nfs/dbraw/zinc/37/58/14/339375814.db2.gz KAMXASWIONGTFH-IBGZPJMESA-N 1 1 315.457 3.693 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000472766886 339377142 /nfs/dbraw/zinc/37/71/42/339377142.db2.gz TZNZQHGVPYYZSV-MAUKXSAKSA-N 1 1 303.446 3.623 20 30 DHEDMO C=CCCCN(C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000473011966 339380236 /nfs/dbraw/zinc/38/02/36/339380236.db2.gz WPMSUUNWCNRYJG-QGZVFWFLSA-N 1 1 317.477 3.505 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)NCCCCC)c1ccc(F)c(F)c1 ZINC000481599753 339607566 /nfs/dbraw/zinc/60/75/66/339607566.db2.gz QEGJUTKTVPNJLB-CXAGYDPISA-N 1 1 324.415 3.867 20 30 DHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N(CC)CCCC)c1ccc(F)c(F)c1 ZINC000481617852 339607771 /nfs/dbraw/zinc/60/77/71/339607771.db2.gz AAVZOSZJYIYNEJ-GOSISDBHSA-N 1 1 324.415 3.820 20 30 DHEDMO C[N@@H+](CCCC(C)(C)C#N)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000496387697 340004382 /nfs/dbraw/zinc/00/43/82/340004382.db2.gz PIKULCFJUUWEHN-UHFFFAOYSA-N 1 1 323.481 3.696 20 30 DHEDMO CC(C)[C@@H](CC[N@@H+](C)[C@@H](C)CCC#N)NC(=O)OC(C)(C)C ZINC000496728765 340011474 /nfs/dbraw/zinc/01/14/74/340011474.db2.gz XCOTULJLAFQSKF-LSDHHAIUSA-N 1 1 311.470 3.550 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000501203166 340076133 /nfs/dbraw/zinc/07/61/33/340076133.db2.gz LDRQRVXODUGDRN-KRWDZBQOSA-N 1 1 306.409 3.865 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000501204515 340076172 /nfs/dbraw/zinc/07/61/72/340076172.db2.gz LBZOPUUYKJPXBW-INIZCTEOSA-N 1 1 310.372 3.695 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000501218744 340076353 /nfs/dbraw/zinc/07/63/53/340076353.db2.gz RLUJEIKMAROINZ-KXBFYZLASA-N 1 1 306.409 3.945 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C)Cc1ccccc1C)Cc1ccccc1 ZINC000502312614 340099391 /nfs/dbraw/zinc/09/93/91/340099391.db2.gz LGQYGSYIRGXKBK-UHFFFAOYSA-N 1 1 322.452 3.642 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)Cc1ccccc1C)Cc1ccccc1 ZINC000502312614 340099392 /nfs/dbraw/zinc/09/93/92/340099392.db2.gz LGQYGSYIRGXKBK-UHFFFAOYSA-N 1 1 322.452 3.642 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000502445239 340103694 /nfs/dbraw/zinc/10/36/94/340103694.db2.gz KUZZCHYTIKUZAL-KRWDZBQOSA-N 1 1 320.436 3.652 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000502445239 340103695 /nfs/dbraw/zinc/10/36/95/340103695.db2.gz KUZZCHYTIKUZAL-KRWDZBQOSA-N 1 1 320.436 3.652 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NCc1ccccc1C ZINC000502469545 340105072 /nfs/dbraw/zinc/10/50/72/340105072.db2.gz SRTLVAHQVFPPPB-GOSISDBHSA-N 1 1 322.452 3.688 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NCc1ccccc1C ZINC000502469545 340105073 /nfs/dbraw/zinc/10/50/73/340105073.db2.gz SRTLVAHQVFPPPB-GOSISDBHSA-N 1 1 322.452 3.688 20 30 DHEDMO C=CC[N@@H+](CCO[C@@H]1CCCCO1)Cc1ccc(Cl)s1 ZINC000502895971 340116040 /nfs/dbraw/zinc/11/60/40/340116040.db2.gz LMKOFGMQGLPCJF-OAHLLOKOSA-N 1 1 315.866 3.933 20 30 DHEDMO C=CC[N@H+](CCO[C@@H]1CCCCO1)Cc1ccc(Cl)s1 ZINC000502895971 340116041 /nfs/dbraw/zinc/11/60/41/340116041.db2.gz LMKOFGMQGLPCJF-OAHLLOKOSA-N 1 1 315.866 3.933 20 30 DHEDMO Cc1cc(Nc2ccc(C#N)nc2)c[nH+]c1N1CCCC[C@H]1C ZINC000503281589 340124716 /nfs/dbraw/zinc/12/47/16/340124716.db2.gz LYRDATMMKDQVML-CQSZACIVSA-N 1 1 307.401 3.779 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000505025023 340159249 /nfs/dbraw/zinc/15/92/49/340159249.db2.gz YEKMBUSRGLUQOR-UHFFFAOYSA-N 1 1 313.445 3.579 20 30 DHEDMO Cc1cccc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)c1C ZINC000505853368 340179784 /nfs/dbraw/zinc/17/97/84/340179784.db2.gz LLYLLHDVRHQUAD-UHFFFAOYSA-N 1 1 311.454 3.559 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C(=O)NC)c1)CC1CCCCC1 ZINC000506454567 340194905 /nfs/dbraw/zinc/19/49/05/340194905.db2.gz JWNGILYRUJHULH-UHFFFAOYSA-N 1 1 300.446 3.615 20 30 DHEDMO C=CC[N@H+]1CCC[C@@H]1c1ccccc1I ZINC000506475212 340195205 /nfs/dbraw/zinc/19/52/05/340195205.db2.gz TUXZOROZLDWTAV-CYBMUJFWSA-N 1 1 313.182 3.614 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccccc1I ZINC000506475212 340195206 /nfs/dbraw/zinc/19/52/06/340195206.db2.gz TUXZOROZLDWTAV-CYBMUJFWSA-N 1 1 313.182 3.614 20 30 DHEDMO CC[C@@H]1C[C@@H](C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)CCO1 ZINC000507794578 340231655 /nfs/dbraw/zinc/23/16/55/340231655.db2.gz LUCAVEJWXRDWAI-RBUKOAKNSA-N 1 1 300.446 3.974 20 30 DHEDMO CC[C@H]1C[C@@H](C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CCO1 ZINC000507814162 340232933 /nfs/dbraw/zinc/23/29/33/340232933.db2.gz QQLYMNYVKMBOHD-PXNSSMCTSA-N 1 1 310.441 3.853 20 30 DHEDMO CC[C@@H]1C[C@H](C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CCO1 ZINC000507814166 340232937 /nfs/dbraw/zinc/23/29/37/340232937.db2.gz QQLYMNYVKMBOHD-YLJYHZDGSA-N 1 1 310.441 3.853 20 30 DHEDMO C=C(C)CC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000509261026 340264856 /nfs/dbraw/zinc/26/48/56/340264856.db2.gz ZWMKSLRJEMDKAM-LSDHHAIUSA-N 1 1 300.229 3.850 20 30 DHEDMO C=C(C)CC[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000509311340 340265851 /nfs/dbraw/zinc/26/58/51/340265851.db2.gz VFWCRTJSDJRAFS-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCc2c(Br)cccc2[C@@H]1C ZINC000509415616 340268757 /nfs/dbraw/zinc/26/87/57/340268757.db2.gz KGPDRZPHZUKGGP-QWHCGFSZSA-N 1 1 324.262 3.695 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000302739354 340280468 /nfs/dbraw/zinc/28/04/68/340280468.db2.gz IFXIMHZVSJZRJE-GOSISDBHSA-N 1 1 302.462 3.788 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510872422 340313529 /nfs/dbraw/zinc/31/35/29/340313529.db2.gz NCSPBWFSHGMJJZ-ZIAGYGMSSA-N 1 1 320.399 3.512 20 30 DHEDMO C[C@H]1C[C@H](CCNc2cccc(C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000511605773 340332072 /nfs/dbraw/zinc/33/20/72/340332072.db2.gz WTMZKEGYVSXVCI-WMZOPIPTSA-N 1 1 320.440 3.666 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc(OC)c1O ZINC000511859890 340340809 /nfs/dbraw/zinc/34/08/09/340340809.db2.gz QDBYTJGRJJNUEU-NVXWUHKLSA-N 1 1 301.430 3.894 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CCOc1ccccc1C#N ZINC000303931808 340354835 /nfs/dbraw/zinc/35/48/35/340354835.db2.gz QRLFLCHTSMBUQX-MRXNPFEDSA-N 1 1 324.424 3.509 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000512600156 340368470 /nfs/dbraw/zinc/36/84/70/340368470.db2.gz PYGDXRRLIZKJOR-LJQANCHMSA-N 1 1 308.425 3.938 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000512604092 340368579 /nfs/dbraw/zinc/36/85/79/340368579.db2.gz DOMCDDNATRXLDR-LJQANCHMSA-N 1 1 308.425 3.938 20 30 DHEDMO C[C@H](N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(C#N)cc1F ZINC000512632029 340370048 /nfs/dbraw/zinc/37/00/48/340370048.db2.gz VZCTYECIZYMRDR-WMLDXEAASA-N 1 1 315.436 3.612 20 30 DHEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000512657359 340371494 /nfs/dbraw/zinc/37/14/94/340371494.db2.gz BKBPSGDFYNWELC-IBGZPJMESA-N 1 1 306.409 3.774 20 30 DHEDMO C[N@H+](CC#Cc1ccccc1)Cc1cc(Br)cs1 ZINC000404149862 340381425 /nfs/dbraw/zinc/38/14/25/340381425.db2.gz OKRKWYFMWZHOGQ-UHFFFAOYSA-N 1 1 320.255 3.994 20 30 DHEDMO C[N@@H+](CC#Cc1ccccc1)Cc1cc(Br)cs1 ZINC000404149862 340381426 /nfs/dbraw/zinc/38/14/26/340381426.db2.gz OKRKWYFMWZHOGQ-UHFFFAOYSA-N 1 1 320.255 3.994 20 30 DHEDMO CC(C)(C#N)CCCN1CCC[N@@H+](CCCC(C)(C)C#N)CC1 ZINC000174811747 340396554 /nfs/dbraw/zinc/39/65/54/340396554.db2.gz COBRZKSRKODXTA-UHFFFAOYSA-N 1 1 318.509 3.654 20 30 DHEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174873921 340398180 /nfs/dbraw/zinc/39/81/80/340398180.db2.gz MYULOBDBHJSQHD-JKSUJKDBSA-N 1 1 323.440 3.858 20 30 DHEDMO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000544142670 341071864 /nfs/dbraw/zinc/07/18/64/341071864.db2.gz CBPPUFOADNYOPZ-OAQYLSRUSA-N 1 1 322.452 3.772 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000544191242 341073871 /nfs/dbraw/zinc/07/38/71/341073871.db2.gz XITQJNAWGRENEF-GOSISDBHSA-N 1 1 306.409 3.865 20 30 DHEDMO C=CCC[C@H](NC(=O)Cn1c[nH+]c2c1CCCC2)c1ccccc1 ZINC000544672861 341090617 /nfs/dbraw/zinc/09/06/17/341090617.db2.gz CXYOKSMHYNEPNX-KRWDZBQOSA-N 1 1 323.440 3.586 20 30 DHEDMO CC(C)(C)[N@@H+](CCC(C)(C)C#N)CC(=O)Nc1ccc(F)cc1 ZINC000131934207 341113853 /nfs/dbraw/zinc/11/38/53/341113853.db2.gz IBSHGIFXAUJQPC-UHFFFAOYSA-N 1 1 319.424 3.805 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C)C(C)(C)C2)c(C#N)c1C ZINC000545421470 341124655 /nfs/dbraw/zinc/12/46/55/341124655.db2.gz ZSRHMTHCXYQVTD-NSHDSACASA-N 1 1 319.474 3.543 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C)C(C)(C)C2)c(C#N)c1C ZINC000545421470 341124656 /nfs/dbraw/zinc/12/46/56/341124656.db2.gz ZSRHMTHCXYQVTD-NSHDSACASA-N 1 1 319.474 3.543 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H](c3ccncc3)C2)cc1 ZINC000564294192 341141033 /nfs/dbraw/zinc/14/10/33/341141033.db2.gz RLGUSMDQALGQGQ-SFHVURJKSA-N 1 1 310.828 3.966 20 30 DHEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000133733475 341183639 /nfs/dbraw/zinc/18/36/39/341183639.db2.gz NQSRMOZQJJGTQY-IBGZPJMESA-N 1 1 312.457 3.536 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000076734184 341213227 /nfs/dbraw/zinc/21/32/27/341213227.db2.gz LEPNYCXUESCZIR-LBPRGKRZSA-N 1 1 310.825 3.574 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)cc1C#N ZINC000135213567 341233382 /nfs/dbraw/zinc/23/33/82/341233382.db2.gz XZZOHFKDPNKJAI-IBGZPJMESA-N 1 1 321.424 3.643 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000548350326 341256475 /nfs/dbraw/zinc/25/64/75/341256475.db2.gz KDZLSONHUMTCSL-INIZCTEOSA-N 1 1 300.450 3.755 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCOCC23CC3)cc1 ZINC000549075106 341285437 /nfs/dbraw/zinc/28/54/37/341285437.db2.gz YKAMQOJHZKJDRR-UHFFFAOYSA-N 1 1 304.393 3.590 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCOCC23CC3)cc1 ZINC000549075106 341285438 /nfs/dbraw/zinc/28/54/38/341285438.db2.gz YKAMQOJHZKJDRR-UHFFFAOYSA-N 1 1 304.393 3.590 20 30 DHEDMO CC(C)c1ccc(C[NH+]2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000549346153 341291943 /nfs/dbraw/zinc/29/19/43/341291943.db2.gz VTJHBEKUHVJYDG-AZUAARDMSA-N 1 1 311.473 3.620 20 30 DHEDMO C=CCOCC[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000549748165 341301991 /nfs/dbraw/zinc/30/19/91/341301991.db2.gz OFLROPOPFDPOLU-OAHLLOKOSA-N 1 1 324.262 3.516 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)Cc1ccc(F)cc1 ZINC000549770393 341302792 /nfs/dbraw/zinc/30/27/92/341302792.db2.gz BNWHTUKPJAOKQD-SFHVURJKSA-N 1 1 317.379 3.556 20 30 DHEDMO C=C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000245675755 341308896 /nfs/dbraw/zinc/30/88/96/341308896.db2.gz TVGGCGWCAIHEBB-YQVWRLOYSA-N 1 1 314.473 3.535 20 30 DHEDMO CC[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000247092450 341360979 /nfs/dbraw/zinc/36/09/79/341360979.db2.gz JGBVQINBYGYAIB-KGLIPLIRSA-N 1 1 319.474 3.607 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc(CC#N)cc1 ZINC000248433754 341377688 /nfs/dbraw/zinc/37/76/88/341377688.db2.gz XWACWTBJZVPSJV-OXJNMPFZSA-N 1 1 305.425 3.685 20 30 DHEDMO C[C@@H](NCCC[N@@H+]1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000249293969 341396079 /nfs/dbraw/zinc/39/60/79/341396079.db2.gz BONGQGORFJXYQB-IAGOWNOFSA-N 1 1 315.461 3.504 20 30 DHEDMO C[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000249293969 341396080 /nfs/dbraw/zinc/39/60/80/341396080.db2.gz BONGQGORFJXYQB-IAGOWNOFSA-N 1 1 315.461 3.504 20 30 DHEDMO CC(C)c1[nH+]ccn1CCC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000153344678 341535926 /nfs/dbraw/zinc/53/59/26/341535926.db2.gz WNILKOYZYRBGOL-QGZVFWFLSA-N 1 1 324.428 3.558 20 30 DHEDMO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000566805593 341568525 /nfs/dbraw/zinc/56/85/25/341568525.db2.gz RWUGQFCCUWSLOE-HLLBOEOZSA-N 1 1 323.440 3.687 20 30 DHEDMO COc1cc(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)ccc1C#N ZINC000566944397 341572306 /nfs/dbraw/zinc/57/23/06/341572306.db2.gz MRLNYFVOYJSJLS-SFHVURJKSA-N 1 1 324.428 3.701 20 30 DHEDMO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(CCC#N)CC1 ZINC000576515043 341850264 /nfs/dbraw/zinc/85/02/64/341850264.db2.gz KCAVEOXTNQAHBZ-UHFFFAOYSA-N 1 1 313.445 3.512 20 30 DHEDMO CC(C)n1cnnc1[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000189963551 520066208 /nfs/dbraw/zinc/06/62/08/520066208.db2.gz LGHLIBXMHWQZBU-YJBOKZPZSA-N 1 1 323.444 3.671 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NCc3ccc(C#N)o3)cc2)C1 ZINC000156098114 524236447 /nfs/dbraw/zinc/23/64/47/524236447.db2.gz WNMAMYJDTPCHOG-OAHLLOKOSA-N 1 1 309.413 3.995 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)n(C)c2)cc1C ZINC000364830559 525248937 /nfs/dbraw/zinc/24/89/37/525248937.db2.gz NMXQDCSFBAFQEW-SFHVURJKSA-N 1 1 309.413 3.551 20 30 DHEDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179929292 526134185 /nfs/dbraw/zinc/13/41/85/526134185.db2.gz XWBLHKWCGIFPTB-AWEZNQCLSA-N 1 1 320.396 3.745 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)s1 ZINC000180507072 526611854 /nfs/dbraw/zinc/61/18/54/526611854.db2.gz WHXWZHNANGROGG-DOMZBBRYSA-N 1 1 318.467 3.769 20 30 DHEDMO N#Cc1ccc(N2CCC(c3[nH]cc[nH+]3)CC2)cc1C(F)(F)F ZINC000264946036 526643221 /nfs/dbraw/zinc/64/32/21/526643221.db2.gz UAIRSNZCSFULHF-UHFFFAOYSA-N 1 1 320.318 3.684 20 30 DHEDMO Cn1cc(C[N@@H+]2CC=C(c3c[nH]c4ccccc34)CC2)cc1C#N ZINC000191455673 527195372 /nfs/dbraw/zinc/19/53/72/527195372.db2.gz VYAYYPDIYDPYMI-UHFFFAOYSA-N 1 1 316.408 3.667 20 30 DHEDMO C=CCCCC[N@H+]1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001209200072 1013080616 /nfs/dbraw/zinc/08/06/16/1013080616.db2.gz GABNGOSWPNHPLW-QGZVFWFLSA-N 1 1 304.459 3.533 20 30 DHEDMO C=CCCCC[N@H+]1CCC[C@]2(CCC(=O)N2CC=C)[C@H]1CC ZINC001209200040 1013080702 /nfs/dbraw/zinc/08/07/02/1013080702.db2.gz FKLHJGGILONNMC-MJGOQNOKSA-N 1 1 304.478 3.764 20 30 DHEDMO C=CCC[C@H]([NH2+]Cc1ncc(C(=O)OC)s1)c1ccccc1 ZINC000894359528 1013101108 /nfs/dbraw/zinc/10/11/08/1013101108.db2.gz QTVNGBBQEHLZCY-AWEZNQCLSA-N 1 1 316.426 3.727 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]Cc1cccc(OC)c1F ZINC000192682197 1013225550 /nfs/dbraw/zinc/22/55/50/1013225550.db2.gz KPOPNFXYNFLLJM-UHFFFAOYSA-N 1 1 301.361 3.689 20 30 DHEDMO C=CCCCCC[N@H+]1Cc2nn(CC3CC3)cc2[C@H](COC)C1 ZINC001209422758 1013256607 /nfs/dbraw/zinc/25/66/07/1013256607.db2.gz HTKAMXSGJCADIA-KRWDZBQOSA-N 1 1 317.477 3.585 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001209432741 1013276008 /nfs/dbraw/zinc/27/60/08/1013276008.db2.gz JTIFJYDXWAYEKK-ZSHCYNCHSA-N 1 1 308.466 3.530 20 30 DHEDMO C=CCCC[N@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000117870770 1013280141 /nfs/dbraw/zinc/28/01/41/1013280141.db2.gz MHPNAESZQIHEFT-UHFFFAOYSA-N 1 1 314.351 3.932 20 30 DHEDMO C=CCCCCCC[N@@H+]1CCC[C@H](Oc2ncc(C)cn2)C1 ZINC001209438521 1013284214 /nfs/dbraw/zinc/28/42/14/1013284214.db2.gz MWDWBSPZMCAIDO-KRWDZBQOSA-N 1 1 303.450 3.765 20 30 DHEDMO C=CCCCCCCC[N@@H+]1CC[C@@H](Oc2ncncc2C)C1 ZINC001209442053 1013289739 /nfs/dbraw/zinc/28/97/39/1013289739.db2.gz OCNVWYFGWDITRC-QGZVFWFLSA-N 1 1 303.450 3.765 20 30 DHEDMO C=CCCCCCCCC[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC001209444219 1013292247 /nfs/dbraw/zinc/29/22/47/1013292247.db2.gz NWILCIIXURSGGD-UHFFFAOYSA-N 1 1 302.466 3.888 20 30 DHEDMO C=CCCCCCCCC[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC001209444219 1013292255 /nfs/dbraw/zinc/29/22/55/1013292255.db2.gz NWILCIIXURSGGD-UHFFFAOYSA-N 1 1 302.466 3.888 20 30 DHEDMO C=CCC[C@@H](C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000275316515 1013329557 /nfs/dbraw/zinc/32/95/57/1013329557.db2.gz KLVCHWNNYZBLMX-VQIMIIECSA-N 1 1 312.457 3.503 20 30 DHEDMO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(C)(C#N)CC2)s1 ZINC000894431379 1013358546 /nfs/dbraw/zinc/35/85/46/1013358546.db2.gz QPMWLFFRRSKFPV-UHFFFAOYSA-N 1 1 320.458 3.829 20 30 DHEDMO C#CC[N@H+](C[C@H](O)CCc1ccccc1)[C@H]1CCc2ccccc21 ZINC001167179041 1013361977 /nfs/dbraw/zinc/36/19/77/1013361977.db2.gz TVFPWYMWSOUNRP-IRLDBZIGSA-N 1 1 319.448 3.603 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894583442 1013427187 /nfs/dbraw/zinc/42/71/87/1013427187.db2.gz AJJASMRMRJHJHN-CHWSQXEVSA-N 1 1 318.408 3.575 20 30 DHEDMO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc2O1 ZINC000578494335 1013429415 /nfs/dbraw/zinc/42/94/15/1013429415.db2.gz OEQGXYOTJOHUSK-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc2O1 ZINC000578494335 1013429422 /nfs/dbraw/zinc/42/94/22/1013429422.db2.gz OEQGXYOTJOHUSK-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO N#CC1(c2ccccn2)CC[NH+](C/C=C\c2cccc(F)c2)CC1 ZINC000894664514 1013445345 /nfs/dbraw/zinc/44/53/45/1013445345.db2.gz HVNYMBDLCWWGGX-XQRVVYSFSA-N 1 1 321.399 3.791 20 30 DHEDMO N#CCCN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981997 1013467753 /nfs/dbraw/zinc/46/77/53/1013467753.db2.gz SERHQEYQTHXUSG-WCRBZPEASA-N 1 1 323.484 3.808 20 30 DHEDMO C=CCCC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC001168295788 1032073494 /nfs/dbraw/zinc/07/34/94/1032073494.db2.gz RPOHJCSCHKUFBY-PXNSSMCTSA-N 1 1 315.505 3.889 20 30 DHEDMO C#CC[N@H+](CCC(=O)Nc1cc(F)ccc1C)C1CCCCC1 ZINC001167273496 1013487853 /nfs/dbraw/zinc/48/78/53/1013487853.db2.gz IVDNHVSRKJIEOP-UHFFFAOYSA-N 1 1 316.420 3.731 20 30 DHEDMO C#CC[N@H+](CCC(C)(C)CC(=O)OCC)Cc1ccc(F)cc1 ZINC001167273479 1013488795 /nfs/dbraw/zinc/48/87/95/1013488795.db2.gz IBYICKZSJRCJHL-UHFFFAOYSA-N 1 1 319.420 3.630 20 30 DHEDMO C#CC[N@@H+](CC(=O)Nc1ccc(Cl)c(F)c1)C1CCCCC1 ZINC001167273426 1013489466 /nfs/dbraw/zinc/48/94/66/1013489466.db2.gz GFOXNODABRISMD-UHFFFAOYSA-N 1 1 322.811 3.686 20 30 DHEDMO C#CC[N@H+](CC(=O)Nc1ccc(Cl)c(F)c1)C1CCCCC1 ZINC001167273426 1013489471 /nfs/dbraw/zinc/48/94/71/1013489471.db2.gz GFOXNODABRISMD-UHFFFAOYSA-N 1 1 322.811 3.686 20 30 DHEDMO C=CCCCN(CC)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000890810953 1013509520 /nfs/dbraw/zinc/50/95/20/1013509520.db2.gz KZWBIEBGGZDYFY-LJQANCHMSA-N 1 1 314.473 3.924 20 30 DHEDMO C=CCC[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000427459712 1013540476 /nfs/dbraw/zinc/54/04/76/1013540476.db2.gz SEXWLMNIKXHBBE-HKUYNNGSSA-N 1 1 314.473 3.537 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@@H+](CC)[C@H](C)C(C)C)c1=S ZINC000067366757 1013653565 /nfs/dbraw/zinc/65/35/65/1013653565.db2.gz AHPWHWXPLBJTGN-CYBMUJFWSA-N 1 1 308.495 3.801 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@H+](CC)[C@H](C)C(C)C)c1=S ZINC000067366757 1013653572 /nfs/dbraw/zinc/65/35/72/1013653572.db2.gz AHPWHWXPLBJTGN-CYBMUJFWSA-N 1 1 308.495 3.801 20 30 DHEDMO C=CCNC(=O)C[N@H+](Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000520169801 1013666335 /nfs/dbraw/zinc/66/63/35/1013666335.db2.gz JPPLKSWGPBFGBF-HNNXBMFYSA-N 1 1 314.454 3.614 20 30 DHEDMO C=CCNC(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000520169801 1013666340 /nfs/dbraw/zinc/66/63/40/1013666340.db2.gz JPPLKSWGPBFGBF-HNNXBMFYSA-N 1 1 314.454 3.614 20 30 DHEDMO C=CC[N@H+](CCC(=O)N(C)c1ccccc1)Cc1ccccc1 ZINC000441152272 1013675819 /nfs/dbraw/zinc/67/58/19/1013675819.db2.gz CXFWGYTZMHLHSY-UHFFFAOYSA-N 1 1 308.425 3.728 20 30 DHEDMO C=CCOc1cccc(C[NH2+]CCN2[C@@H](C)CCC[C@@H]2C)c1 ZINC000520229646 1013683230 /nfs/dbraw/zinc/68/32/30/1013683230.db2.gz AFRVHRAOJGDBPL-IRXDYDNUSA-N 1 1 302.462 3.604 20 30 DHEDMO Cc1ccccc1OCC[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000141282393 1013690548 /nfs/dbraw/zinc/69/05/48/1013690548.db2.gz ZRMACWDAWHNDCH-UHFFFAOYSA-N 1 1 319.408 3.630 20 30 DHEDMO Cc1ccccc1OCC[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000141282393 1013690557 /nfs/dbraw/zinc/69/05/57/1013690557.db2.gz ZRMACWDAWHNDCH-UHFFFAOYSA-N 1 1 319.408 3.630 20 30 DHEDMO C[C@H](c1c(F)cccc1F)[N@H+](C)CCOc1ccccc1C#N ZINC000520388819 1013728870 /nfs/dbraw/zinc/72/88/70/1013728870.db2.gz HDAKZQJGUVQOOR-CYBMUJFWSA-N 1 1 316.351 3.908 20 30 DHEDMO C[C@H](c1c(F)cccc1F)[N@@H+](C)CCOc1ccccc1C#N ZINC000520388819 1013728875 /nfs/dbraw/zinc/72/88/75/1013728875.db2.gz HDAKZQJGUVQOOR-CYBMUJFWSA-N 1 1 316.351 3.908 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000520413076 1013733396 /nfs/dbraw/zinc/73/33/96/1013733396.db2.gz MAKVGPQNBVRWEU-QGZVFWFLSA-N 1 1 307.353 3.804 20 30 DHEDMO C[C@@H](CNC(=O)c1coc(C2CCCCC2)n1)[N@@H+](C)C1CC1 ZINC000328680659 1013792934 /nfs/dbraw/zinc/79/29/34/1013792934.db2.gz NSXICILOOZMQSV-LBPRGKRZSA-N 1 1 305.422 3.510 20 30 DHEDMO Cc1nn(C(C)(C)C)cc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000330831216 1013842255 /nfs/dbraw/zinc/84/22/55/1013842255.db2.gz QYROUENDQZRBHD-UHFFFAOYSA-N 1 1 320.481 3.516 20 30 DHEDMO COc1cc(C)cc(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)c1C ZINC000331103064 1013857627 /nfs/dbraw/zinc/85/76/27/1013857627.db2.gz DXAFGGCTHBQQFX-AWEZNQCLSA-N 1 1 319.449 3.512 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC001167331915 1013912418 /nfs/dbraw/zinc/91/24/18/1013912418.db2.gz CRTVRDYABOQQGX-MRXNPFEDSA-N 1 1 300.446 3.691 20 30 DHEDMO C[C@@H](NC(C)(C)C[NH2+]Cc1cc(C#N)cs1)c1ccccc1 ZINC000177701399 1014002112 /nfs/dbraw/zinc/00/21/12/1014002112.db2.gz DUGKUQHJPUFBNA-CQSZACIVSA-N 1 1 313.470 3.839 20 30 DHEDMO Cc1cc(Nc2cccc(F)c2N2CC[NH+](C)CC2)ccc1C#N ZINC001210807441 1014058788 /nfs/dbraw/zinc/05/87/88/1014058788.db2.gz BHMDBVXURCQPSA-UHFFFAOYSA-N 1 1 324.403 3.501 20 30 DHEDMO CC[NH+](CC)CC(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000047155858 1014061562 /nfs/dbraw/zinc/06/15/62/1014061562.db2.gz MVDXFWOTFJTPQZ-UHFFFAOYSA-N 1 1 324.837 3.788 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)cc1F ZINC000616752280 1014061821 /nfs/dbraw/zinc/06/18/21/1014061821.db2.gz RKXLOUGIMUZAPA-LJQANCHMSA-N 1 1 310.372 3.661 20 30 DHEDMO C[N@@H+](CCCSCC#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000610409651 1014077070 /nfs/dbraw/zinc/07/70/70/1014077070.db2.gz GQEHQCLDMNPPBV-ZWKOTPCHSA-N 1 1 318.486 3.733 20 30 DHEDMO CCCCCCCCCC(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000834601030 1014206626 /nfs/dbraw/zinc/20/66/26/1014206626.db2.gz XXRZGEWMMIPDSV-SJORKVTESA-N 1 1 312.473 3.772 20 30 DHEDMO CC[C@@H](C)Nc1[nH+]cc2c(c1C#N)N(Cc1ccccc1)CC2 ZINC001168001132 1014262897 /nfs/dbraw/zinc/26/28/97/1014262897.db2.gz ZVEDJYUYUZDJNJ-CQSZACIVSA-N 1 1 306.413 3.726 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(Br)cc1O ZINC000824501912 1030575295 /nfs/dbraw/zinc/57/52/95/1030575295.db2.gz CAFNQUPJASRCDV-UHFFFAOYSA-N 1 1 311.223 3.526 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@@H+](CC3CC3)CC3CCC3)o2)cc1 ZINC000280840849 1014438781 /nfs/dbraw/zinc/43/87/81/1014438781.db2.gz XAZRNVWTKOPDTG-UHFFFAOYSA-N 1 1 322.412 3.620 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1c1cccc(F)c1C#N ZINC000610468820 1014466433 /nfs/dbraw/zinc/46/64/33/1014466433.db2.gz FWSNFKDYGLFJOB-MRXNPFEDSA-N 1 1 323.415 3.798 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cc1N(C)C ZINC000177860280 1014469949 /nfs/dbraw/zinc/46/99/49/1014469949.db2.gz RGJAJFPACWOZNR-LBPRGKRZSA-N 1 1 315.367 3.753 20 30 DHEDMO C=CCC[C@H](C(=O)NCC[N@@H+]1CC=C(C)CC1)c1ccccc1 ZINC000427952568 1014557366 /nfs/dbraw/zinc/55/73/66/1014557366.db2.gz UZUJDVXWBKTMJB-IBGZPJMESA-N 1 1 312.457 3.505 20 30 DHEDMO C[C@@H]1C[C@@H](NC2=CC(=O)CCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011222 1014573427 /nfs/dbraw/zinc/57/34/27/1014573427.db2.gz MVPWCALYTXSTAA-HGKCTWBKSA-N 1 1 312.457 3.655 20 30 DHEDMO C=C(Br)C[N@@H+](CCCCOC)Cc1ccccc1 ZINC000067462350 1014602664 /nfs/dbraw/zinc/60/26/64/1014602664.db2.gz UKTBQCGSYRPDHX-UHFFFAOYSA-N 1 1 312.251 3.824 20 30 DHEDMO C=C(Br)C[N@H+](CCCCOC)Cc1ccccc1 ZINC000067462350 1014602666 /nfs/dbraw/zinc/60/26/66/1014602666.db2.gz UKTBQCGSYRPDHX-UHFFFAOYSA-N 1 1 312.251 3.824 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000521069072 1014638514 /nfs/dbraw/zinc/63/85/14/1014638514.db2.gz ZWWBWMHKNVBAOW-QZTJIDSGSA-N 1 1 314.473 3.507 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000521069072 1014638523 /nfs/dbraw/zinc/63/85/23/1014638523.db2.gz ZWWBWMHKNVBAOW-QZTJIDSGSA-N 1 1 314.473 3.507 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC001167452974 1014680036 /nfs/dbraw/zinc/68/00/36/1014680036.db2.gz GZQMSADNAQCLHJ-MRXNPFEDSA-N 1 1 308.425 3.938 20 30 DHEDMO Cc1csc(C[C@@H]2CC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000933135584 1014698528 /nfs/dbraw/zinc/69/85/28/1014698528.db2.gz XESCQPQJOLZCCM-HOCLYGCPSA-N 1 1 311.454 3.949 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000475317709 1017140035 /nfs/dbraw/zinc/14/00/35/1017140035.db2.gz OYDWZQMDUQGMIW-CQSZACIVSA-N 1 1 313.228 3.607 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000475317709 1017140048 /nfs/dbraw/zinc/14/00/48/1017140048.db2.gz OYDWZQMDUQGMIW-CQSZACIVSA-N 1 1 313.228 3.607 20 30 DHEDMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000267318361 1014793667 /nfs/dbraw/zinc/79/36/67/1014793667.db2.gz YNQHMYIGVHPGGK-UWJYYQICSA-N 1 1 319.452 3.558 20 30 DHEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000521821557 1014812821 /nfs/dbraw/zinc/81/28/21/1014812821.db2.gz JQKQVAYMIDXUMS-UHFFFAOYSA-N 1 1 312.388 3.988 20 30 DHEDMO C=CCCN(C)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000276329797 1014959019 /nfs/dbraw/zinc/95/90/19/1014959019.db2.gz DQJRKBJKLBFDPE-UHFFFAOYSA-N 1 1 322.452 3.967 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443643729 1015063521 /nfs/dbraw/zinc/06/35/21/1015063521.db2.gz WFYIQDVKOVYZCU-HUUCEWRRSA-N 1 1 309.837 3.510 20 30 DHEDMO CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000443658091 1015079450 /nfs/dbraw/zinc/07/94/50/1015079450.db2.gz NHVAJFXEAGNZMQ-FFZOFVMBSA-N 1 1 310.441 3.924 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3c[nH]c4ncccc34)C2)c1 ZINC000931367041 1032109945 /nfs/dbraw/zinc/10/99/45/1032109945.db2.gz VPNQNGQGBGSGBK-KRWDZBQOSA-N 1 1 316.408 3.814 20 30 DHEDMO C#CCOc1ccccc1C[NH2+][C@H](CC)c1nc(C)cs1 ZINC000105504275 1015111229 /nfs/dbraw/zinc/11/12/29/1015111229.db2.gz VJJRLCYYTWMMBW-OAHLLOKOSA-N 1 1 300.427 3.704 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000076736627 1015135740 /nfs/dbraw/zinc/13/57/40/1015135740.db2.gz UCDYHIPKVPWAER-UHFFFAOYSA-N 1 1 309.413 3.636 20 30 DHEDMO C=C(Br)C[N@@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931370130 1032111143 /nfs/dbraw/zinc/11/11/43/1032111143.db2.gz WEYFQRCRTAJZJD-GFCCVEGCSA-N 1 1 320.234 3.651 20 30 DHEDMO C=C(Br)C[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931370130 1032111147 /nfs/dbraw/zinc/11/11/47/1032111147.db2.gz WEYFQRCRTAJZJD-GFCCVEGCSA-N 1 1 320.234 3.651 20 30 DHEDMO COc1ccccc1CC[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000477285813 1015186659 /nfs/dbraw/zinc/18/66/59/1015186659.db2.gz MITXTEHZVBOIFS-UHFFFAOYSA-N 1 1 324.424 3.510 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000895583040 1015210777 /nfs/dbraw/zinc/21/07/77/1015210777.db2.gz IZQMKHNWNUMMGV-HNNXBMFYSA-N 1 1 300.427 3.697 20 30 DHEDMO C=C(C)C[C@H]([NH2+][C@H]1CCC[C@H](c2cccnc2)C1)C(=O)OCC ZINC000895598719 1015219890 /nfs/dbraw/zinc/21/98/90/1015219890.db2.gz UPRLAUHEKYZYAB-SZMVWBNQSA-N 1 1 316.445 3.595 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337475395 1015260985 /nfs/dbraw/zinc/26/09/85/1015260985.db2.gz YAFCZPKJUNTBQS-UHFFFAOYSA-N 1 1 310.372 3.573 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337475395 1015260990 /nfs/dbraw/zinc/26/09/90/1015260990.db2.gz YAFCZPKJUNTBQS-UHFFFAOYSA-N 1 1 310.372 3.573 20 30 DHEDMO N#Cc1cc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cs1 ZINC000891515159 1015342820 /nfs/dbraw/zinc/34/28/20/1015342820.db2.gz AFAXGFJSBISBER-CQSZACIVSA-N 1 1 318.467 3.862 20 30 DHEDMO N#Cc1cc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cs1 ZINC000891515159 1015342824 /nfs/dbraw/zinc/34/28/24/1015342824.db2.gz AFAXGFJSBISBER-CQSZACIVSA-N 1 1 318.467 3.862 20 30 DHEDMO CCC1(C)CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000337697568 1015368922 /nfs/dbraw/zinc/36/89/22/1015368922.db2.gz ULXQCEZKMSXBIT-ZDUSSCGKSA-N 1 1 317.433 3.607 20 30 DHEDMO C[C@@H]1C[C@@H](NCc2ccc(C#N)o2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168036519 1015421595 /nfs/dbraw/zinc/42/15/95/1015421595.db2.gz UZNVSAFKHCWILX-ALXJQNPVSA-N 1 1 323.440 3.682 20 30 DHEDMO C=CC[N@H+](CCCc1cc(CC)no1)Cc1cccc(C#N)c1 ZINC000581910720 1015524297 /nfs/dbraw/zinc/52/42/97/1015524297.db2.gz NHCZGMMNXQDMBO-UHFFFAOYSA-N 1 1 309.413 3.729 20 30 DHEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000522472606 1015609647 /nfs/dbraw/zinc/60/96/47/1015609647.db2.gz AIIWLWYUUIEDAZ-LPHOPBHVSA-N 1 1 306.409 3.815 20 30 DHEDMO N#Cc1cccc(C[NH2+]Cc2ccsc2Br)c1 ZINC000337860107 1015641395 /nfs/dbraw/zinc/64/13/95/1015641395.db2.gz MDKIGDBGSWGJCF-UHFFFAOYSA-N 1 1 307.216 3.672 20 30 DHEDMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000329158029 1015649734 /nfs/dbraw/zinc/64/97/34/1015649734.db2.gz DJNAWQATLPLKIL-RISCZKNCSA-N 1 1 317.389 3.518 20 30 DHEDMO CCn1ncc2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)cc21 ZINC000329470292 1015712984 /nfs/dbraw/zinc/71/29/84/1015712984.db2.gz YSQQRKQHHJPMPC-MRXNPFEDSA-N 1 1 314.433 3.909 20 30 DHEDMO CC1(C)CCC[C@]1(O)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000329498336 1015718633 /nfs/dbraw/zinc/71/86/33/1015718633.db2.gz JSFACYAAYCNAGH-BEFAXECRSA-N 1 1 322.493 3.539 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](C)CSCC)[C@@H]2CC ZINC001173304296 1033659248 /nfs/dbraw/zinc/65/92/48/1033659248.db2.gz ODILLUQVVKZUNX-JZXOWHBKSA-N 1 1 324.534 3.550 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)ccn1 ZINC000610994810 1016005216 /nfs/dbraw/zinc/00/52/16/1016005216.db2.gz RRSANVZSTXZQAT-NRFANRHFSA-N 1 1 317.436 3.823 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)CCCC1(C)C ZINC000342179106 1016107636 /nfs/dbraw/zinc/10/76/36/1016107636.db2.gz XMAFBTTWSKRPIG-KRWDZBQOSA-N 1 1 321.486 3.657 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2ccc(S(C)(=O)=O)cc2)CCCC1(C)C ZINC000342179106 1016107640 /nfs/dbraw/zinc/10/76/40/1016107640.db2.gz XMAFBTTWSKRPIG-KRWDZBQOSA-N 1 1 321.486 3.657 20 30 DHEDMO CCC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1COc2ccccc2O1 ZINC000071810614 1016142454 /nfs/dbraw/zinc/14/24/54/1016142454.db2.gz HQGFJUJROSUFDI-GOSISDBHSA-N 1 1 322.408 3.610 20 30 DHEDMO CCC[N@@H+](Cc1csc(C#N)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000892102626 1016223979 /nfs/dbraw/zinc/22/39/79/1016223979.db2.gz STIRQVLEGHULRC-BZUAXINKSA-N 1 1 304.459 3.645 20 30 DHEDMO N#CC1(CC[N@H+]2CC[C@@H](Cc3nccs3)C2)CCCCC1 ZINC000934331162 1016450907 /nfs/dbraw/zinc/45/09/07/1016450907.db2.gz YAHMEZLJEFUNQI-HNNXBMFYSA-N 1 1 303.475 3.872 20 30 DHEDMO N#Cc1ccc(Cl)cc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381576433 1016527229 /nfs/dbraw/zinc/52/72/29/1016527229.db2.gz BBCZVSPHIWADED-KRWDZBQOSA-N 1 1 311.816 3.898 20 30 DHEDMO C=C[C@@](C)(CCOC)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281576966 1016603289 /nfs/dbraw/zinc/60/32/89/1016603289.db2.gz LUWNPFYAMBYAPT-KRWDZBQOSA-N 1 1 324.852 3.569 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N(CC=C)Cc1cccs1 ZINC000346974455 1016667945 /nfs/dbraw/zinc/66/79/45/1016667945.db2.gz YKYMITNMIKZJCS-HNNXBMFYSA-N 1 1 306.475 3.549 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000346995523 1016679674 /nfs/dbraw/zinc/67/96/74/1016679674.db2.gz XQQSOXWQRUBQMD-IBGZPJMESA-N 1 1 307.397 3.559 20 30 DHEDMO N#Cc1cccc(CN2C[C@H]3CCC[N@H+]3Cc3ccccc32)c1 ZINC000342528807 1016689295 /nfs/dbraw/zinc/68/92/95/1016689295.db2.gz WHFIROWWJGNDOC-LJQANCHMSA-N 1 1 303.409 3.543 20 30 DHEDMO C=CCCn1cc(C[NH2+][C@H]2CCc3ccc(C(C)C)cc32)nn1 ZINC000657440516 1016812381 /nfs/dbraw/zinc/81/23/81/1016812381.db2.gz AOKXPQVYFVBBNN-IBGZPJMESA-N 1 1 310.445 3.755 20 30 DHEDMO C=C1CC(C)(c2noc(C[C@H](c3[nH]cc[nH+]3)c3ccccc3)n2)C1 ZINC000896928360 1016932368 /nfs/dbraw/zinc/93/23/68/1016932368.db2.gz UYZMCJSCACOHQX-HNNXBMFYSA-N 1 1 320.396 3.775 20 30 DHEDMO C[C@@H]1C[C@@H](N2CC[C@@](C)(C#N)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056196 1016962988 /nfs/dbraw/zinc/96/29/88/1016962988.db2.gz CYQQDIDDRYZCDH-HNJRGHQBSA-N 1 1 311.473 3.664 20 30 DHEDMO CC(C)[N@@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000342666920 1016971539 /nfs/dbraw/zinc/97/15/39/1016971539.db2.gz NZDNULSZGZSFKF-UHFFFAOYSA-N 1 1 316.445 3.891 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)ncn2C ZINC000342687139 1017012469 /nfs/dbraw/zinc/01/24/69/1017012469.db2.gz ZTFCCAXYWPIUPB-UHFFFAOYSA-N 1 1 321.424 3.770 20 30 DHEDMO N#CCc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000342700659 1017037332 /nfs/dbraw/zinc/03/73/32/1017037332.db2.gz ISPAIXJSVIHZDJ-UHFFFAOYSA-N 1 1 301.393 3.789 20 30 DHEDMO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000847025748 1032182007 /nfs/dbraw/zinc/18/20/07/1032182007.db2.gz ONWNZWCXINGIQE-STQMWFEESA-N 1 1 315.804 3.796 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000847025748 1032182013 /nfs/dbraw/zinc/18/20/13/1032182013.db2.gz ONWNZWCXINGIQE-STQMWFEESA-N 1 1 315.804 3.796 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000847024955 1032181355 /nfs/dbraw/zinc/18/13/55/1032181355.db2.gz UPRMNASCOCAYQF-ZIAGYGMSSA-N 1 1 313.376 3.590 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000847024955 1032181361 /nfs/dbraw/zinc/18/13/61/1032181361.db2.gz UPRMNASCOCAYQF-ZIAGYGMSSA-N 1 1 313.376 3.590 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000847031324 1032184576 /nfs/dbraw/zinc/18/45/76/1032184576.db2.gz BPAZUDXVAOURPM-KRWDZBQOSA-N 1 1 306.409 3.506 20 30 DHEDMO C[N@H+](CCCC#N)Cc1ccc(Br)cc1Cl ZINC000362001653 1032189936 /nfs/dbraw/zinc/18/99/36/1032189936.db2.gz OQYLBMFYOUGPLS-UHFFFAOYSA-N 1 1 301.615 3.838 20 30 DHEDMO C[N@@H+](CCCC#N)Cc1ccc(Br)cc1Cl ZINC000362001653 1032189946 /nfs/dbraw/zinc/18/99/46/1032189946.db2.gz OQYLBMFYOUGPLS-UHFFFAOYSA-N 1 1 301.615 3.838 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]([C@H](C)C2CC2)C2CC2)c1C ZINC000362235016 1032281261 /nfs/dbraw/zinc/28/12/61/1032281261.db2.gz OEKRNOBEGLEHMU-CQSZACIVSA-N 1 1 300.446 3.737 20 30 DHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2csc(C)n2)c1 ZINC000772984577 1032335513 /nfs/dbraw/zinc/33/55/13/1032335513.db2.gz OOFYQCIGQKGBSU-WFASDCNBSA-N 1 1 315.442 3.983 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)CC2(O)CCCC2)cc1Cl ZINC000537626213 1032341002 /nfs/dbraw/zinc/34/10/02/1032341002.db2.gz JJWLTPQVIUCWQA-UHFFFAOYSA-N 1 1 309.837 3.642 20 30 DHEDMO CN(C)CC1(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CCCC1 ZINC000612829281 1032417730 /nfs/dbraw/zinc/41/77/30/1032417730.db2.gz NPECOFYFXUXZEF-IBGZPJMESA-N 1 1 311.473 3.647 20 30 DHEDMO C[NH+](C)CC1(CN[C@H]2CCCc3cc(C#N)ccc32)CCCC1 ZINC000612829281 1032417733 /nfs/dbraw/zinc/41/77/33/1032417733.db2.gz NPECOFYFXUXZEF-IBGZPJMESA-N 1 1 311.473 3.647 20 30 DHEDMO C=CC[N@@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000121243926 1032431148 /nfs/dbraw/zinc/43/11/48/1032431148.db2.gz UHBHNVAUJZWZHO-UHFFFAOYSA-N 1 1 310.397 3.925 20 30 DHEDMO C=CC1CC[NH+](CC(=O)N(Cc2ccco2)c2ccccc2)CC1 ZINC000348161939 1032479307 /nfs/dbraw/zinc/47/93/07/1032479307.db2.gz BIILVRDRFSTHLI-UHFFFAOYSA-N 1 1 324.424 3.711 20 30 DHEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1 ZINC000092261613 1032485296 /nfs/dbraw/zinc/48/52/96/1032485296.db2.gz NNAYAHJAMGSMFV-UHFFFAOYSA-N 1 1 304.397 3.660 20 30 DHEDMO C=CC[N@H+](Cc1ccc(-n2cncn2)cc1)Cc1ccccc1F ZINC000092404656 1032491381 /nfs/dbraw/zinc/49/13/81/1032491381.db2.gz KKQXTWUQQMZXHB-UHFFFAOYSA-N 1 1 322.387 3.595 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(-n2cncn2)cc1)Cc1ccccc1F ZINC000092404656 1032491393 /nfs/dbraw/zinc/49/13/93/1032491393.db2.gz KKQXTWUQQMZXHB-UHFFFAOYSA-N 1 1 322.387 3.595 20 30 DHEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773004966 1032520774 /nfs/dbraw/zinc/52/07/74/1032520774.db2.gz MVRZVEOZGTXFGT-LBPRGKRZSA-N 1 1 315.244 3.580 20 30 DHEDMO C[C@@H](CC#N)[N@H+](C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000093090814 1032521933 /nfs/dbraw/zinc/52/19/33/1032521933.db2.gz HTFCYJVZGFJNSE-HNNXBMFYSA-N 1 1 304.397 3.759 20 30 DHEDMO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000093090814 1032521941 /nfs/dbraw/zinc/52/19/41/1032521941.db2.gz HTFCYJVZGFJNSE-HNNXBMFYSA-N 1 1 304.397 3.759 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C)Cc2cccn2C)ccc1OC ZINC000093584919 1032545160 /nfs/dbraw/zinc/54/51/60/1032545160.db2.gz MHJJUOJVKKYWKN-UHFFFAOYSA-N 1 1 314.429 3.621 20 30 DHEDMO Cc1cc([C@H]2C[N@H+](CC(C)(C)CCC#N)CCO2)ccc1F ZINC000093637846 1032547772 /nfs/dbraw/zinc/54/77/72/1032547772.db2.gz BKNHVURIDHWBLH-QGZVFWFLSA-N 1 1 304.409 3.837 20 30 DHEDMO Cc1cc([C@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)ccc1F ZINC000093637846 1032547782 /nfs/dbraw/zinc/54/77/82/1032547782.db2.gz BKNHVURIDHWBLH-QGZVFWFLSA-N 1 1 304.409 3.837 20 30 DHEDMO C=CCn1cc(C[NH2+][C@H](C)c2ccc(SC(C)C)cc2)nn1 ZINC000424295106 1011960953 /nfs/dbraw/zinc/96/09/53/1011960953.db2.gz MEKUBILZWMHNQK-CQSZACIVSA-N 1 1 316.474 3.815 20 30 DHEDMO C=C(C)C(C)(C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000424715663 1012103648 /nfs/dbraw/zinc/10/36/48/1012103648.db2.gz UZUZPKPFAZTHTM-MRXNPFEDSA-N 1 1 302.462 3.616 20 30 DHEDMO C[N@H+](CC(=O)Nc1cccc(Cl)c1)CC1CCC(C#N)CC1 ZINC000929196938 1032604011 /nfs/dbraw/zinc/60/40/11/1032604011.db2.gz AOKPYDBHHHHJLR-UHFFFAOYSA-N 1 1 319.836 3.540 20 30 DHEDMO C=CC[C@@H]1CCN1C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000890560680 1012246945 /nfs/dbraw/zinc/24/69/45/1012246945.db2.gz KPXLUTNEHJMKEB-GOSISDBHSA-N 1 1 300.446 3.708 20 30 DHEDMO C=CC(C)(C)CC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001269898811 1012397749 /nfs/dbraw/zinc/39/77/49/1012397749.db2.gz CPOBNXDSZFOURA-SFHVURJKSA-N 1 1 314.473 3.616 20 30 DHEDMO N#Cc1cccc(S[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000425282119 1012404601 /nfs/dbraw/zinc/40/46/01/1012404601.db2.gz NFNKOJREXSLUDW-QGZVFWFLSA-N 1 1 309.438 3.710 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)CCOCc1ccc(C#N)cc1 ZINC000514752966 1012427964 /nfs/dbraw/zinc/42/79/64/1012427964.db2.gz AYPXWAGYTWOYLX-UHFFFAOYSA-N 1 1 313.445 3.727 20 30 DHEDMO CC[N@H+](CC(=O)Nc1cccc(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000097393432 1012430978 /nfs/dbraw/zinc/43/09/78/1012430978.db2.gz WICQJVXZIHFPJY-MRXNPFEDSA-N 1 1 321.424 3.888 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1cccc(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000097393432 1012430991 /nfs/dbraw/zinc/43/09/91/1012430991.db2.gz WICQJVXZIHFPJY-MRXNPFEDSA-N 1 1 321.424 3.888 20 30 DHEDMO CCOC(=O)c1coc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425365480 1012491720 /nfs/dbraw/zinc/49/17/20/1012491720.db2.gz KWGCPHJBVWXKRA-ZDUSSCGKSA-N 1 1 312.369 3.521 20 30 DHEDMO CCOC(=O)c1coc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425365480 1012491730 /nfs/dbraw/zinc/49/17/30/1012491730.db2.gz KWGCPHJBVWXKRA-ZDUSSCGKSA-N 1 1 312.369 3.521 20 30 DHEDMO Cc1ccc2nc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)cn2c1 ZINC000425364980 1012492740 /nfs/dbraw/zinc/49/27/40/1012492740.db2.gz IATKGUQQVLEUQL-OAHLLOKOSA-N 1 1 304.397 3.707 20 30 DHEDMO Cc1ccc2nc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)cn2c1 ZINC000425364980 1012492751 /nfs/dbraw/zinc/49/27/51/1012492751.db2.gz IATKGUQQVLEUQL-OAHLLOKOSA-N 1 1 304.397 3.707 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660710563 1012506419 /nfs/dbraw/zinc/50/64/19/1012506419.db2.gz UZNRJBCDRGKGGE-DGCLKSJQSA-N 1 1 307.825 3.536 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+](C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710563 1012506458 /nfs/dbraw/zinc/50/64/58/1012506458.db2.gz UZNRJBCDRGKGGE-DGCLKSJQSA-N 1 1 307.825 3.536 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660710563 1012506478 /nfs/dbraw/zinc/50/64/78/1012506478.db2.gz UZNRJBCDRGKGGE-DGCLKSJQSA-N 1 1 307.825 3.536 20 30 DHEDMO Cc1cc(C#N)cc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000336708364 1012535464 /nfs/dbraw/zinc/53/54/64/1012535464.db2.gz MGEBELRUMLNZHJ-VQIMIIECSA-N 1 1 320.440 3.584 20 30 DHEDMO CC(C)(CCC#N)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000154274872 1012638819 /nfs/dbraw/zinc/63/88/19/1012638819.db2.gz FREMVMBZCQTBNG-UHFFFAOYSA-N 1 1 301.390 3.889 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)cc1 ZINC000558412419 1012712588 /nfs/dbraw/zinc/71/25/88/1012712588.db2.gz ZEYJNNSGLFUUID-SJLPKXTDSA-N 1 1 303.446 3.767 20 30 DHEDMO COc1ccc(C(=O)CC[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425530357 1012729760 /nfs/dbraw/zinc/72/97/60/1012729760.db2.gz DYQMHUHYDUXIKI-HNNXBMFYSA-N 1 1 322.408 3.833 20 30 DHEDMO CC(C)C[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000164935323 1012797912 /nfs/dbraw/zinc/79/79/12/1012797912.db2.gz ZTDRUCMWGLXROD-CQSZACIVSA-N 1 1 319.474 3.706 20 30 DHEDMO CCCCOc1ccc(C[NH2+]CC2(C#N)CC2)cc1OCC ZINC000516839167 1012846222 /nfs/dbraw/zinc/84/62/22/1012846222.db2.gz XMCLBNJGSUNNIV-UHFFFAOYSA-N 1 1 302.418 3.658 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](O)CC2)cc1 ZINC000339782541 1012865331 /nfs/dbraw/zinc/86/53/31/1012865331.db2.gz OZLNUHRHOFOWJX-LJQANCHMSA-N 1 1 306.409 3.572 20 30 DHEDMO N#Cc1ccccc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC000039202416 1012879340 /nfs/dbraw/zinc/87/93/40/1012879340.db2.gz IRJBGDUVKQZFGQ-UHFFFAOYSA-N 1 1 301.393 3.616 20 30 DHEDMO CCCCCCCCCC(=O)N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001270238330 1012898177 /nfs/dbraw/zinc/89/81/77/1012898177.db2.gz RBNCFUSQKOBDFV-HDICACEKSA-N 1 1 308.510 3.927 20 30 DHEDMO CC[N@@H+](CCOc1cccc(C#N)c1)[C@H](C)Cc1ccsc1 ZINC000425912627 1012942757 /nfs/dbraw/zinc/94/27/57/1012942757.db2.gz BAXNGEWXOOKIHF-OAHLLOKOSA-N 1 1 314.454 3.952 20 30 DHEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)CC[C@H]1c1ccccc1 ZINC000517478596 1012994515 /nfs/dbraw/zinc/99/45/15/1012994515.db2.gz NHEHHJAAZXYDLE-YLJYHZDGSA-N 1 1 305.425 3.969 20 30 DHEDMO C=CCC[N@H+](C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000342731581 1017120146 /nfs/dbraw/zinc/12/01/46/1017120146.db2.gz LAJPCZAGPUYTTL-GOSISDBHSA-N 1 1 306.258 3.609 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H](C4CCOCC4)C3)cc2)CC1 ZINC000897271055 1017223790 /nfs/dbraw/zinc/22/37/90/1017223790.db2.gz GQNGKOLMDNDCOI-LJQANCHMSA-N 1 1 324.468 3.880 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H](C4CCOCC4)C3)cc2)CC1 ZINC000897271054 1017224473 /nfs/dbraw/zinc/22/44/73/1017224473.db2.gz GQNGKOLMDNDCOI-IBGZPJMESA-N 1 1 324.468 3.880 20 30 DHEDMO Cc1[nH+]c(C=NNc2ccc(C#N)c(Cl)c2)c2ccccn12 ZINC000783876649 1032689137 /nfs/dbraw/zinc/68/91/37/1032689137.db2.gz CYMDTDRRCBXOKZ-UHFFFAOYSA-N 1 1 309.760 3.614 20 30 DHEDMO CCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000384378887 1017326320 /nfs/dbraw/zinc/32/63/20/1017326320.db2.gz AKTDHUQBDKFBGG-UHFFFAOYSA-N 1 1 321.424 3.799 20 30 DHEDMO C=C(Br)C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000125107349 1032697996 /nfs/dbraw/zinc/69/79/96/1032697996.db2.gz RMXWORGEIMBAGV-ZDUSSCGKSA-N 1 1 308.219 3.931 20 30 DHEDMO C=CCCc1noc([C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000351132217 1017421616 /nfs/dbraw/zinc/42/16/16/1017421616.db2.gz VPRAPSGSTFFCAM-GHMZBOCLSA-N 1 1 317.355 3.564 20 30 DHEDMO CC(C)O[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000593054813 1032706173 /nfs/dbraw/zinc/70/61/73/1032706173.db2.gz GDQWUVQZQBHIGP-HNNXBMFYSA-N 1 1 324.371 3.549 20 30 DHEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000593054813 1032706181 /nfs/dbraw/zinc/70/61/81/1032706181.db2.gz GDQWUVQZQBHIGP-HNNXBMFYSA-N 1 1 324.371 3.549 20 30 DHEDMO N#Cc1c(F)cccc1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000024203565 1017542912 /nfs/dbraw/zinc/54/29/12/1017542912.db2.gz KSPPCOYFESQKOQ-UHFFFAOYSA-N 1 1 320.371 3.597 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000444642902 1017612138 /nfs/dbraw/zinc/61/21/38/1017612138.db2.gz VATCFEBYKYRJSB-UHFFFAOYSA-N 1 1 301.390 3.673 20 30 DHEDMO C=CC[C@H]1[N@H+](C[C@@H](O)COCc2cccs2)CCCC1(C)C ZINC000444782016 1017661804 /nfs/dbraw/zinc/66/18/04/1017661804.db2.gz IACKLRDILMVZEU-NVXWUHKLSA-N 1 1 323.502 3.692 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2nc([C@@H](C)OCC)no2)CCCC1(C)C ZINC000444778817 1017676018 /nfs/dbraw/zinc/67/60/18/1017676018.db2.gz ABXYWSHTTDOALF-KGLIPLIRSA-N 1 1 307.438 3.734 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2nc([C@@H](C)OCC)no2)CCCC1(C)C ZINC000444778817 1017676023 /nfs/dbraw/zinc/67/60/23/1017676023.db2.gz ABXYWSHTTDOALF-KGLIPLIRSA-N 1 1 307.438 3.734 20 30 DHEDMO C=CC[C@H]1[N@@H+](CCCCCS(=O)(=O)CC)CCCC1(C)C ZINC000444778558 1017678454 /nfs/dbraw/zinc/67/84/54/1017678454.db2.gz JDQUAFNDJQRASH-MRXNPFEDSA-N 1 1 315.523 3.658 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)NCc1cccc(Cl)c1 ZINC000523551853 1017729447 /nfs/dbraw/zinc/72/94/47/1017729447.db2.gz GMYUXUWLTXHCSU-UHFFFAOYSA-N 1 1 308.853 3.634 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000625702508 1017780370 /nfs/dbraw/zinc/78/03/70/1017780370.db2.gz GQFOXDYGNFHQSQ-ZDUSSCGKSA-N 1 1 322.836 3.575 20 30 DHEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000445358333 1017833335 /nfs/dbraw/zinc/83/33/35/1017833335.db2.gz KOKVUOFFSJLORV-HNNXBMFYSA-N 1 1 312.388 3.639 20 30 DHEDMO C=CC[N@@H+](CCC(=O)c1ccccc1)Cc1cccc(C#N)c1 ZINC000182102056 1017861848 /nfs/dbraw/zinc/86/18/48/1017861848.db2.gz ALYAJVABVYFXHQ-UHFFFAOYSA-N 1 1 304.393 3.819 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000153604698 1017875367 /nfs/dbraw/zinc/87/53/67/1017875367.db2.gz FHYCEGCRCBAEIZ-NRFANRHFSA-N 1 1 318.420 3.838 20 30 DHEDMO COc1ccc2c(c1)CCC[N@@H+](Cc1ccc(C#N)cc1F)C2 ZINC000524156427 1017908468 /nfs/dbraw/zinc/90/84/68/1017908468.db2.gz ITSPGTAPBYWVGC-UHFFFAOYSA-N 1 1 310.372 3.654 20 30 DHEDMO COc1ccc2c(c1)CCC[N@H+](Cc1ccc(C#N)cc1F)C2 ZINC000524156427 1017908481 /nfs/dbraw/zinc/90/84/81/1017908481.db2.gz ITSPGTAPBYWVGC-UHFFFAOYSA-N 1 1 310.372 3.654 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000339009336 1032730183 /nfs/dbraw/zinc/73/01/83/1032730183.db2.gz HOQOXSHCYHBEGJ-NJDAHSKKSA-N 1 1 323.484 3.667 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000339009336 1032730197 /nfs/dbraw/zinc/73/01/97/1032730197.db2.gz HOQOXSHCYHBEGJ-NJDAHSKKSA-N 1 1 323.484 3.667 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171497550 1032736186 /nfs/dbraw/zinc/73/61/86/1032736186.db2.gz VOBJTBRCEFETDR-QGZVFWFLSA-N 1 1 312.363 3.826 20 30 DHEDMO C=CC[N@@H+](Cc1cnn(CC(C)C)c1)Cc1cccc(C#N)c1 ZINC000183175040 1017999335 /nfs/dbraw/zinc/99/93/35/1017999335.db2.gz RKZVYZGAVHSKCJ-UHFFFAOYSA-N 1 1 308.429 3.599 20 30 DHEDMO C=CC[N@H+](Cc1cnn(CC(C)C)c1)Cc1cccc(C#N)c1 ZINC000183175040 1017999341 /nfs/dbraw/zinc/99/93/41/1017999341.db2.gz RKZVYZGAVHSKCJ-UHFFFAOYSA-N 1 1 308.429 3.599 20 30 DHEDMO N#CCCC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000343046233 1018029694 /nfs/dbraw/zinc/02/96/94/1018029694.db2.gz HZGQOJJJLVUWHC-UHFFFAOYSA-N 1 1 300.402 3.854 20 30 DHEDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000183730804 1018040039 /nfs/dbraw/zinc/04/00/39/1018040039.db2.gz DZCJZJDHZIWXNY-MRXNPFEDSA-N 1 1 309.413 3.957 20 30 DHEDMO CC1(C)CCCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000446067667 1018051928 /nfs/dbraw/zinc/05/19/28/1018051928.db2.gz BKWFKXSDDVCEOL-UHFFFAOYSA-N 1 1 319.836 3.662 20 30 DHEDMO C[C@@H](c1cccs1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000022013477 1018064467 /nfs/dbraw/zinc/06/44/67/1018064467.db2.gz HEOZJRFIQWSFLS-NSHDSACASA-N 1 1 319.455 3.703 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c1 ZINC000858010989 1032741440 /nfs/dbraw/zinc/74/14/40/1032741440.db2.gz IQLJARYIBUMDPK-IBGZPJMESA-N 1 1 324.424 3.608 20 30 DHEDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1cccc(C#N)c1 ZINC001167654269 1018078356 /nfs/dbraw/zinc/07/83/56/1018078356.db2.gz YTRWCTGRERGSCP-IBGZPJMESA-N 1 1 305.425 3.789 20 30 DHEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000441035801 1018152440 /nfs/dbraw/zinc/15/24/40/1018152440.db2.gz PUAUPJAXJDOIJO-YJYMSZOUSA-N 1 1 310.372 3.521 20 30 DHEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000441035801 1018152445 /nfs/dbraw/zinc/15/24/45/1018152445.db2.gz PUAUPJAXJDOIJO-YJYMSZOUSA-N 1 1 310.372 3.521 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@@H+]2CC#Cc2cccc(Cl)c2)on1 ZINC000446760868 1018244818 /nfs/dbraw/zinc/24/48/18/1018244818.db2.gz HXJQKMPLBYANKA-INIZCTEOSA-N 1 1 300.789 3.825 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@H+]2CC#Cc2cccc(Cl)c2)on1 ZINC000446760868 1018244830 /nfs/dbraw/zinc/24/48/30/1018244830.db2.gz HXJQKMPLBYANKA-INIZCTEOSA-N 1 1 300.789 3.825 20 30 DHEDMO Cc1cc([C@H]2CCC[N@@H+]2CC#Cc2cccc(Cl)c2)on1 ZINC000446760869 1018245800 /nfs/dbraw/zinc/24/58/00/1018245800.db2.gz HXJQKMPLBYANKA-MRXNPFEDSA-N 1 1 300.789 3.825 20 30 DHEDMO Cc1cc([C@H]2CCC[N@H+]2CC#Cc2cccc(Cl)c2)on1 ZINC000446760869 1018245813 /nfs/dbraw/zinc/24/58/13/1018245813.db2.gz HXJQKMPLBYANKA-MRXNPFEDSA-N 1 1 300.789 3.825 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000446842862 1018272633 /nfs/dbraw/zinc/27/26/33/1018272633.db2.gz IDCWTPIXDZYXCM-KRWDZBQOSA-N 1 1 306.409 3.865 20 30 DHEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171542575 1032755121 /nfs/dbraw/zinc/75/51/21/1032755121.db2.gz ULVQMYVVLYLFIK-CYBMUJFWSA-N 1 1 310.363 3.977 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)NCCC[NH+]2CCCC2)cc1 ZINC000764667872 1018344561 /nfs/dbraw/zinc/34/45/61/1018344561.db2.gz UWLQVCOZUMWUMO-INIZCTEOSA-N 1 1 322.880 3.954 20 30 DHEDMO CCn1nc(C)c([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000926479822 1018346713 /nfs/dbraw/zinc/34/67/13/1018346713.db2.gz MUOZQSCTRSZALV-RHSMWYFYSA-N 1 1 311.433 3.692 20 30 DHEDMO COC(=O)C(C)(C)CC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000525977501 1018410402 /nfs/dbraw/zinc/41/04/02/1018410402.db2.gz LUMDSSFXBHRZRU-UHFFFAOYSA-N 1 1 316.445 3.606 20 30 DHEDMO CC[C@H](N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(C#N)cc1 ZINC000447546266 1018417583 /nfs/dbraw/zinc/41/75/83/1018417583.db2.gz UNIUALBTABVZAQ-PMACEKPBSA-N 1 1 311.473 3.863 20 30 DHEDMO CC[C@H](N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(C#N)cc1 ZINC000447546266 1018417593 /nfs/dbraw/zinc/41/75/93/1018417593.db2.gz UNIUALBTABVZAQ-PMACEKPBSA-N 1 1 311.473 3.863 20 30 DHEDMO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCN1CC1CCCCC1 ZINC000174373024 1018424064 /nfs/dbraw/zinc/42/40/64/1018424064.db2.gz AJRLMAPJGIPAQV-SFHVURJKSA-N 1 1 305.510 3.951 20 30 DHEDMO Cc1ccc(C[C@H]([NH2+]Cc2ccc(C#N)o2)c2ccccn2)cc1 ZINC000174399768 1018426608 /nfs/dbraw/zinc/42/66/08/1018426608.db2.gz FRZVGLLEZJVZIS-FQEVSTJZSA-N 1 1 317.392 3.928 20 30 DHEDMO CC[C@H](NC[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccc(C#N)cc1 ZINC000447585557 1018429908 /nfs/dbraw/zinc/42/99/08/1018429908.db2.gz KLXFUFQYYPIZLL-ICSRJNTNSA-N 1 1 313.489 3.967 20 30 DHEDMO CC[C@H](NC[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(C#N)cc1 ZINC000447585557 1018429930 /nfs/dbraw/zinc/42/99/30/1018429930.db2.gz KLXFUFQYYPIZLL-ICSRJNTNSA-N 1 1 313.489 3.967 20 30 DHEDMO C=CCOc1cccc(C[NH2+][C@H](COC)c2ccc(CC)o2)c1 ZINC000174476194 1018433537 /nfs/dbraw/zinc/43/35/37/1018433537.db2.gz FXWJJTOXDIMJAP-GOSISDBHSA-N 1 1 315.413 3.884 20 30 DHEDMO C=C(Cl)CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766127269 1018442057 /nfs/dbraw/zinc/44/20/57/1018442057.db2.gz DOWUQBKQHPFVLP-ZWKOTPCHSA-N 1 1 304.865 3.725 20 30 DHEDMO CC(C)c1ccc2ncc(C#N)c(N[C@H]3CC[N@@H+](C)[C@H](C)C3)c2c1 ZINC000447691135 1018456330 /nfs/dbraw/zinc/45/63/30/1018456330.db2.gz OOYGAMPVAYOZEZ-PBHICJAKSA-N 1 1 322.456 3.546 20 30 DHEDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC12CCCCC2 ZINC000765085484 1018469480 /nfs/dbraw/zinc/46/94/80/1018469480.db2.gz BCDBRTASEXPCGM-APWZRJJASA-N 1 1 312.457 3.884 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246573593 1018484681 /nfs/dbraw/zinc/48/46/81/1018484681.db2.gz FBSOAZBECXRGGZ-LIRRHRJNSA-N 1 1 310.372 3.659 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246573593 1018484686 /nfs/dbraw/zinc/48/46/86/1018484686.db2.gz FBSOAZBECXRGGZ-LIRRHRJNSA-N 1 1 310.372 3.659 20 30 DHEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245569420 1018563081 /nfs/dbraw/zinc/56/30/81/1018563081.db2.gz APCMCMMJWMJKEN-NVXWUHKLSA-N 1 1 324.827 3.697 20 30 DHEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245569420 1018563091 /nfs/dbraw/zinc/56/30/91/1018563091.db2.gz APCMCMMJWMJKEN-NVXWUHKLSA-N 1 1 324.827 3.697 20 30 DHEDMO N#CCC[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccccc1 ZINC000130574835 1018690345 /nfs/dbraw/zinc/69/03/45/1018690345.db2.gz YPLTVVARKKEYTR-SFHVURJKSA-N 1 1 322.408 3.983 20 30 DHEDMO C=CC[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@@H](C)COC ZINC000661244896 1018700561 /nfs/dbraw/zinc/70/05/61/1018700561.db2.gz XFAUZJIXOJKHOI-ZDUSSCGKSA-N 1 1 304.365 3.504 20 30 DHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000385891326 1032779540 /nfs/dbraw/zinc/77/95/40/1032779540.db2.gz UUOZFFOUHLYUTL-CYBMUJFWSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H](C1CC1)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000158028892 1018725844 /nfs/dbraw/zinc/72/58/44/1018725844.db2.gz CHQNJRHCFYBWDJ-OAHLLOKOSA-N 1 1 308.429 3.694 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000303918447 1018726472 /nfs/dbraw/zinc/72/64/72/1018726472.db2.gz OBTKWMIRYHTIMY-LJQANCHMSA-N 1 1 312.457 3.723 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)c(F)c1 ZINC000304096520 1018740474 /nfs/dbraw/zinc/74/04/74/1018740474.db2.gz FJCDBAHRCWGWRH-FQEVSTJZSA-N 1 1 324.399 3.569 20 30 DHEDMO C#CCN(C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000278505405 1018763770 /nfs/dbraw/zinc/76/37/70/1018763770.db2.gz AULVURRORKXBHE-UHFFFAOYSA-N 1 1 313.445 3.548 20 30 DHEDMO C=C[C@@H](CC(=O)NCC[N@@H+]1CCCC[C@@H]1CC)c1ccccc1 ZINC000536189670 1018828268 /nfs/dbraw/zinc/82/82/68/1018828268.db2.gz BDAHQQUSDRTWLS-HKUYNNGSSA-N 1 1 314.473 3.727 20 30 DHEDMO C=CC[N@H+](Cc1cnc2ccccn12)Cc1ccc(OC)cc1 ZINC000158596508 1018851786 /nfs/dbraw/zinc/85/17/86/1018851786.db2.gz BHUGCHPENFKQDF-UHFFFAOYSA-N 1 1 307.397 3.531 20 30 DHEDMO C=CC[N@@H+](Cc1cnc2ccccn12)Cc1ccc(OC)cc1 ZINC000158596508 1018851804 /nfs/dbraw/zinc/85/18/04/1018851804.db2.gz BHUGCHPENFKQDF-UHFFFAOYSA-N 1 1 307.397 3.531 20 30 DHEDMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000073615712 1018869967 /nfs/dbraw/zinc/86/99/67/1018869967.db2.gz NJWJXOLXHCLEBB-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000073615712 1018869981 /nfs/dbraw/zinc/86/99/81/1018869981.db2.gz NJWJXOLXHCLEBB-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000307781304 1018977418 /nfs/dbraw/zinc/97/74/18/1018977418.db2.gz UTFQOZWBEXYTKM-GJZGRUSLSA-N 1 1 313.445 3.643 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[NH+](C1CC1)C1CC1 ZINC000625837724 1019014420 /nfs/dbraw/zinc/01/44/20/1019014420.db2.gz RWLSJEYZRPJKAD-UHFFFAOYSA-N 1 1 302.443 3.530 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000075864809 1019062817 /nfs/dbraw/zinc/06/28/17/1019062817.db2.gz QRWIQBNQWMLCKN-SFHVURJKSA-N 1 1 306.409 3.597 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)cc1O ZINC000135243114 1019075548 /nfs/dbraw/zinc/07/55/48/1019075548.db2.gz FAPOXYZMPVIGTQ-UHFFFAOYSA-N 1 1 324.424 3.834 20 30 DHEDMO CC(C)[N@H+](C)Cc1cccc(CNCc2csc(C#N)c2)c1 ZINC000921606366 1019106632 /nfs/dbraw/zinc/10/66/32/1019106632.db2.gz INIUPZNPORCZIF-UHFFFAOYSA-N 1 1 313.470 3.750 20 30 DHEDMO CC(C)[N@@H+](C)Cc1cccc(CNCc2csc(C#N)c2)c1 ZINC000921606366 1019106639 /nfs/dbraw/zinc/10/66/39/1019106639.db2.gz INIUPZNPORCZIF-UHFFFAOYSA-N 1 1 313.470 3.750 20 30 DHEDMO CC[C@@H](C)[C@@H](C)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000112600390 1019143446 /nfs/dbraw/zinc/14/34/46/1019143446.db2.gz YGJZBIBPIJOLTG-HUUCEWRRSA-N 1 1 313.445 3.786 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2nc(N)c3ccccc3n2)CCCC1(C)C ZINC000444780937 1019268999 /nfs/dbraw/zinc/26/89/99/1019268999.db2.gz NTINFVRDHYFHDU-INIZCTEOSA-N 1 1 310.445 3.779 20 30 DHEDMO C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccc(C#N)cc1F ZINC000921990409 1019275757 /nfs/dbraw/zinc/27/57/57/1019275757.db2.gz MAUOUJYVJBEUGF-CYBMUJFWSA-N 1 1 312.392 3.545 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1ccc(C#N)cc1 ZINC000340622147 1019416510 /nfs/dbraw/zinc/41/65/10/1019416510.db2.gz ARXHCIMDSBIEPC-MRXNPFEDSA-N 1 1 316.408 3.654 20 30 DHEDMO CCCC[N@@H+](CCC(=O)N(C)CCC#N)[C@H](C)c1ccc(C)o1 ZINC000611302413 1019438138 /nfs/dbraw/zinc/43/81/38/1019438138.db2.gz YSXDUSGJUNDCIP-MRXNPFEDSA-N 1 1 319.449 3.513 20 30 DHEDMO CCc1ccc(C2=CC[N@H+](Cc3ccnc(C#N)c3)CC2)cc1 ZINC000611319662 1019443226 /nfs/dbraw/zinc/44/32/26/1019443226.db2.gz LWSXNZKOTAGULW-UHFFFAOYSA-N 1 1 303.409 3.805 20 30 DHEDMO CCc1ccc(C2=CC[N@@H+](Cc3ccnc(C#N)c3)CC2)cc1 ZINC000611319662 1019443240 /nfs/dbraw/zinc/44/32/40/1019443240.db2.gz LWSXNZKOTAGULW-UHFFFAOYSA-N 1 1 303.409 3.805 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@H](C)C(C)(C)C)c1C#N ZINC000611345979 1019453168 /nfs/dbraw/zinc/45/31/68/1019453168.db2.gz BOLRQLUKLIOXKA-OAHLLOKOSA-N 1 1 310.445 3.919 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@H](C)C(C)(C)C)c1C#N ZINC000611345979 1019453175 /nfs/dbraw/zinc/45/31/75/1019453175.db2.gz BOLRQLUKLIOXKA-OAHLLOKOSA-N 1 1 310.445 3.919 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]([C@H](C)C2CC2)C2CC2)c1C#N ZINC000611346008 1019454257 /nfs/dbraw/zinc/45/42/57/1019454257.db2.gz FDWOKBFREFHLEH-OAHLLOKOSA-N 1 1 320.440 3.815 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]([C@H](C)C2CC2)C2CC2)c1C#N ZINC000611346008 1019454262 /nfs/dbraw/zinc/45/42/62/1019454262.db2.gz FDWOKBFREFHLEH-OAHLLOKOSA-N 1 1 320.440 3.815 20 30 DHEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611348022 1019456192 /nfs/dbraw/zinc/45/61/92/1019456192.db2.gz NTJHTKJLZKAZLQ-GOEBONIOSA-N 1 1 308.429 3.673 20 30 DHEDMO C[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)[N@@H+]1CCCC[C@H]1C ZINC000611390644 1019465572 /nfs/dbraw/zinc/46/55/72/1019465572.db2.gz MMNBFGNJQXVKIL-JXXFODFXSA-N 1 1 311.473 3.788 20 30 DHEDMO C[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)[N@H+]1CCCC[C@H]1C ZINC000611390644 1019465576 /nfs/dbraw/zinc/46/55/76/1019465576.db2.gz MMNBFGNJQXVKIL-JXXFODFXSA-N 1 1 311.473 3.788 20 30 DHEDMO CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611392852 1019469447 /nfs/dbraw/zinc/46/94/47/1019469447.db2.gz PSCDKSGGXGIYIW-QUCCMNQESA-N 1 1 311.473 3.790 20 30 DHEDMO CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611392852 1019469454 /nfs/dbraw/zinc/46/94/54/1019469454.db2.gz PSCDKSGGXGIYIW-QUCCMNQESA-N 1 1 311.473 3.790 20 30 DHEDMO CC(C)Oc1ncccc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000611465454 1019500178 /nfs/dbraw/zinc/50/01/78/1019500178.db2.gz IGSBUVYXSFFJLM-ZDUSSCGKSA-N 1 1 313.376 3.730 20 30 DHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000611554010 1019514668 /nfs/dbraw/zinc/51/46/68/1019514668.db2.gz BENBEOSDFDKCPT-MFKMUULPSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cccc(C#N)c1F ZINC000611554010 1019514684 /nfs/dbraw/zinc/51/46/84/1019514684.db2.gz BENBEOSDFDKCPT-MFKMUULPSA-N 1 1 300.299 3.860 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](Cc2cncnc2)C(C)(C)C)cc1 ZINC000271053085 1019546054 /nfs/dbraw/zinc/54/60/54/1019546054.db2.gz XJYJBKXOWQSPEX-UHFFFAOYSA-N 1 1 311.429 3.842 20 30 DHEDMO Cc1ccccc1C[N@H+]1CCCN(CC#Cc2ccccc2)CC1 ZINC000683003225 1019717742 /nfs/dbraw/zinc/71/77/42/1019717742.db2.gz OHZMQHQHYWJVQU-UHFFFAOYSA-N 1 1 318.464 3.554 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657876272 1019726395 /nfs/dbraw/zinc/72/63/95/1019726395.db2.gz WIJSRJCFWBANRA-CYBMUJFWSA-N 1 1 309.404 3.710 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657876275 1019726951 /nfs/dbraw/zinc/72/69/51/1019726951.db2.gz WIJSRJCFWBANRA-ZDUSSCGKSA-N 1 1 309.404 3.710 20 30 DHEDMO C=C(C)COc1cc(C[NH2+]Cc2csc(C)n2)ccc1OC ZINC000057965587 1019738404 /nfs/dbraw/zinc/73/84/04/1019738404.db2.gz FGXJLICNDWXUKD-UHFFFAOYSA-N 1 1 318.442 3.705 20 30 DHEDMO C[C@@H]1C[C@H](NC2=CC(=O)CC(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC001171731989 1032851279 /nfs/dbraw/zinc/85/12/79/1032851279.db2.gz FUANJKSAQSJGFG-QAPCUYQASA-N 1 1 312.457 3.512 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000685464030 1019849657 /nfs/dbraw/zinc/84/96/57/1019849657.db2.gz BMEYLFQOXDPCMC-HKUYNNGSSA-N 1 1 315.457 3.890 20 30 DHEDMO C[N@@H+](CCCSCC#N)Cc1ccc(C(F)(F)F)cc1 ZINC000080626059 1019896817 /nfs/dbraw/zinc/89/68/17/1019896817.db2.gz IIGRVOYROHHUTI-UHFFFAOYSA-N 1 1 302.365 3.784 20 30 DHEDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)c1 ZINC000264155559 1032863946 /nfs/dbraw/zinc/86/39/46/1032863946.db2.gz RCQBCBQFYZJISI-FQEVSTJZSA-N 1 1 322.408 3.935 20 30 DHEDMO N#Cc1cccc(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)c1 ZINC000081535963 1019954012 /nfs/dbraw/zinc/95/40/12/1019954012.db2.gz CRBYUDZSEPPATO-NRFANRHFSA-N 1 1 320.436 3.820 20 30 DHEDMO N#Cc1cc(C[NH2+]Cc2csc(C(F)(F)F)c2)cs1 ZINC000922294940 1019975123 /nfs/dbraw/zinc/97/51/23/1019975123.db2.gz FRIXNZRZZSVVDX-UHFFFAOYSA-N 1 1 302.346 3.990 20 30 DHEDMO C[C@H]1C[C@H](N(C)Cc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC001171768727 1032866922 /nfs/dbraw/zinc/86/69/22/1032866922.db2.gz WZVYVPVRRKCFFO-UWJYYQICSA-N 1 1 319.452 3.653 20 30 DHEDMO C[C@H]1C[C@H]([N@H+](C)Cc2cccc(C#N)c2)CN1Cc1ccccc1 ZINC001171768727 1032866933 /nfs/dbraw/zinc/86/69/33/1032866933.db2.gz WZVYVPVRRKCFFO-UWJYYQICSA-N 1 1 319.452 3.653 20 30 DHEDMO C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2)CN1Cc1ccccc1 ZINC001171768727 1032866948 /nfs/dbraw/zinc/86/69/48/1032866948.db2.gz WZVYVPVRRKCFFO-UWJYYQICSA-N 1 1 319.452 3.653 20 30 DHEDMO CCc1nn(C)c(CC)c1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000154389816 1020102126 /nfs/dbraw/zinc/10/21/26/1020102126.db2.gz ODASTEHSROHYPV-UHFFFAOYSA-N 1 1 324.472 3.827 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000093048902 1020130720 /nfs/dbraw/zinc/13/07/20/1020130720.db2.gz AVHIWJCNWXKUMV-OAHLLOKOSA-N 1 1 312.394 3.686 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000093048902 1020130726 /nfs/dbraw/zinc/13/07/26/1020130726.db2.gz AVHIWJCNWXKUMV-OAHLLOKOSA-N 1 1 312.394 3.686 20 30 DHEDMO CC[NH+](CC)[C@H](C(=O)OCc1ccccc1C#N)c1ccccc1 ZINC000731908641 1020169345 /nfs/dbraw/zinc/16/93/45/1020169345.db2.gz OTMHIGYERBDYDD-IBGZPJMESA-N 1 1 322.408 3.685 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1nc2ccccc2n1C ZINC000155009514 1020177645 /nfs/dbraw/zinc/17/76/45/1020177645.db2.gz OZTCLJJWUMWTEV-AWEZNQCLSA-N 1 1 304.397 3.638 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1nc2ccccc2n1C ZINC000155009514 1020177650 /nfs/dbraw/zinc/17/76/50/1020177650.db2.gz OZTCLJJWUMWTEV-AWEZNQCLSA-N 1 1 304.397 3.638 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1C(F)(F)F ZINC000858407624 1032881476 /nfs/dbraw/zinc/88/14/76/1032881476.db2.gz KMXIOQAKPBOMCO-SNVBAGLBSA-N 1 1 323.293 3.962 20 30 DHEDMO CC#CCC[N@@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428922523 1020185604 /nfs/dbraw/zinc/18/56/04/1020185604.db2.gz CVMATRUUKJKZJR-XJKSGUPXSA-N 1 1 311.347 3.881 20 30 DHEDMO CC#CCC[N@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428922523 1020185608 /nfs/dbraw/zinc/18/56/08/1020185608.db2.gz CVMATRUUKJKZJR-XJKSGUPXSA-N 1 1 311.347 3.881 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000186261148 1020186921 /nfs/dbraw/zinc/18/69/21/1020186921.db2.gz IPMBFOWASWMZGK-UHFFFAOYSA-N 1 1 321.380 3.940 20 30 DHEDMO C#CC[N@H+](C)[C@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001171823950 1032882555 /nfs/dbraw/zinc/88/25/55/1032882555.db2.gz JYYQNGOIOPQSQS-ZSHCYNCHSA-N 1 1 308.466 3.508 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000186324613 1020239755 /nfs/dbraw/zinc/23/97/55/1020239755.db2.gz DZBSBWVOMWBNGF-UHFFFAOYSA-N 1 1 304.315 3.916 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000186324613 1020239766 /nfs/dbraw/zinc/23/97/66/1020239766.db2.gz DZBSBWVOMWBNGF-UHFFFAOYSA-N 1 1 304.315 3.916 20 30 DHEDMO CC[N@@H+](Cc1cccc2c1OCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000179294351 1020244873 /nfs/dbraw/zinc/24/48/73/1020244873.db2.gz WZCGHKJZDHWQSV-CQSZACIVSA-N 1 1 308.381 3.870 20 30 DHEDMO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)C2CCCCC2)c(C#N)c1C ZINC000331331470 1020263412 /nfs/dbraw/zinc/26/34/12/1020263412.db2.gz HYGUGHBWKUBJFI-ZDUSSCGKSA-N 1 1 317.433 3.607 20 30 DHEDMO C=CC[N@@H+](Cc1csc(-c2ccc(O)c(OC)c2)n1)C(C)C ZINC000732806900 1020286122 /nfs/dbraw/zinc/28/61/22/1020286122.db2.gz CJDKEVBWRSRBAV-UHFFFAOYSA-N 1 1 318.442 3.921 20 30 DHEDMO C=CC[N@H+](Cc1csc(-c2ccc(O)c(OC)c2)n1)C(C)C ZINC000732806900 1020286129 /nfs/dbraw/zinc/28/61/29/1020286129.db2.gz CJDKEVBWRSRBAV-UHFFFAOYSA-N 1 1 318.442 3.921 20 30 DHEDMO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1C#N ZINC000282407038 1020328210 /nfs/dbraw/zinc/32/82/10/1020328210.db2.gz RZLJBSRRVRJRRG-UHFFFAOYSA-N 1 1 317.392 3.603 20 30 DHEDMO CCN(CC)c1ccc(C=Nc2ccc3c(c2)C[N@@H+](C)C3)c(O)c1 ZINC000255741226 1020346747 /nfs/dbraw/zinc/34/67/47/1020346747.db2.gz PWZLAXIKUHGMNT-UHFFFAOYSA-N 1 1 323.440 3.934 20 30 DHEDMO CCN(CC)c1ccc(C=Nc2ccc3c(c2)C[N@H+](C)C3)c(O)c1 ZINC000255741226 1020346755 /nfs/dbraw/zinc/34/67/55/1020346755.db2.gz PWZLAXIKUHGMNT-UHFFFAOYSA-N 1 1 323.440 3.934 20 30 DHEDMO Cc1ccncc1CCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000347654677 1020443639 /nfs/dbraw/zinc/44/36/39/1020443639.db2.gz QJRRLGGHBASDLH-UHFFFAOYSA-N 1 1 305.425 3.859 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(C)=O)C1 ZINC001171840960 1032903657 /nfs/dbraw/zinc/90/36/57/1032903657.db2.gz IFDXNRHNORBDGI-GDBMZVCRSA-N 1 1 314.429 3.504 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C(C)=O)C1 ZINC001171840960 1032903674 /nfs/dbraw/zinc/90/36/74/1032903674.db2.gz IFDXNRHNORBDGI-GDBMZVCRSA-N 1 1 314.429 3.504 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc(C#N)cc1 ZINC000301326093 1020508487 /nfs/dbraw/zinc/50/84/87/1020508487.db2.gz AYISXLGPENSGJR-KRWDZBQOSA-N 1 1 305.425 3.659 20 30 DHEDMO C[C@@H]1CCN(c2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000301461039 1020512499 /nfs/dbraw/zinc/51/24/99/1020512499.db2.gz UMLVNALRHZQNRN-MRXNPFEDSA-N 1 1 323.415 3.798 20 30 DHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC001171882444 1032908842 /nfs/dbraw/zinc/90/88/42/1032908842.db2.gz STGKHGPIJRTSNZ-DNVCBOLYSA-N 1 1 321.509 3.578 20 30 DHEDMO C=CC1CCN(C(=O)c2ccc(C[N@H+](CC)CCC)cc2)CC1 ZINC000347831167 1020545937 /nfs/dbraw/zinc/54/59/37/1020545937.db2.gz MHKXYPSTXKOWCH-UHFFFAOYSA-N 1 1 314.473 3.957 20 30 DHEDMO CC#CC(=O)N1CCC[C@]2(CC[N@H+](C[C@@H](CC)CCCC)C2)C1 ZINC001272887992 1020549020 /nfs/dbraw/zinc/54/90/20/1020549020.db2.gz YLWWPOIFZVWVDS-AZUAARDMSA-N 1 1 318.505 3.541 20 30 DHEDMO CC#CC(=O)N1CCC[C@@]2(CC[N@H+](C[C@@H](CC)CCCC)C2)C1 ZINC001272887993 1020549412 /nfs/dbraw/zinc/54/94/12/1020549412.db2.gz YLWWPOIFZVWVDS-ICSRJNTNSA-N 1 1 318.505 3.541 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000132546317 1020552081 /nfs/dbraw/zinc/55/20/81/1020552081.db2.gz VEEAVURDAHIEJI-MRXNPFEDSA-N 1 1 322.408 3.565 20 30 DHEDMO COc1cccc(C[N@H+](C)Cc2ccc(C#N)cc2Cl)c1 ZINC000162875777 1020558265 /nfs/dbraw/zinc/55/82/65/1020558265.db2.gz XFSLGSBFWZPNIX-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO COc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2Cl)c1 ZINC000162875777 1020558272 /nfs/dbraw/zinc/55/82/72/1020558272.db2.gz XFSLGSBFWZPNIX-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO CC[C@@H](C)[C@@H](C)[N@@H+](CCC(=O)Nc1sccc1C#N)C1CC1 ZINC000109025703 1020585605 /nfs/dbraw/zinc/58/56/05/1020585605.db2.gz DMHVKAMZOCSRJR-CHWSQXEVSA-N 1 1 319.474 3.847 20 30 DHEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337198116 1032917309 /nfs/dbraw/zinc/91/73/09/1032917309.db2.gz ZIXQECHNIPCJNZ-IAGOWNOFSA-N 1 1 322.493 3.612 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000065959499 1020604866 /nfs/dbraw/zinc/60/48/66/1020604866.db2.gz LJMFNOXCJUHVLL-UHFFFAOYSA-N 1 1 310.397 3.868 20 30 DHEDMO C=CC[N@@H+](CCOc1ccc(C#N)cc1)CCc1ccccc1 ZINC000065959818 1020605178 /nfs/dbraw/zinc/60/51/78/1020605178.db2.gz BPARPBSTIUUCDI-UHFFFAOYSA-N 1 1 306.409 3.668 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000734487495 1020613413 /nfs/dbraw/zinc/61/34/13/1020613413.db2.gz RJNHJLOQJCFETR-APWZRJJASA-N 1 1 306.409 3.967 20 30 DHEDMO CCc1nccc([C@H]2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000365413929 1020623968 /nfs/dbraw/zinc/62/39/68/1020623968.db2.gz QYECXLYBTVTOKC-YJBOKZPZSA-N 1 1 320.440 3.851 20 30 DHEDMO CC[N@H+](Cc1ccccc1O)Cc1c(F)ccc(C#N)c1F ZINC001143174029 1020645411 /nfs/dbraw/zinc/64/54/11/1020645411.db2.gz KRLZHNTURNBCPF-UHFFFAOYSA-N 1 1 302.324 3.564 20 30 DHEDMO CC[N@@H+](Cc1ccccc1O)Cc1c(F)ccc(C#N)c1F ZINC001143174029 1020645419 /nfs/dbraw/zinc/64/54/19/1020645419.db2.gz KRLZHNTURNBCPF-UHFFFAOYSA-N 1 1 302.324 3.564 20 30 DHEDMO CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140755289 1020659027 /nfs/dbraw/zinc/65/90/27/1020659027.db2.gz YSAOEFPPKMOKIJ-UHFFFAOYSA-N 1 1 304.315 3.998 20 30 DHEDMO COCC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C1CCCC1 ZINC000735308354 1020721094 /nfs/dbraw/zinc/72/10/94/1020721094.db2.gz ILBBLHPSSMUZKQ-UHFFFAOYSA-N 1 1 322.836 3.633 20 30 DHEDMO Cc1ccc(-c2nnc([C@H](C)O[NH+]=C(N)C3CCCC3)o2)cc1 ZINC000177670964 1020750322 /nfs/dbraw/zinc/75/03/22/1020750322.db2.gz FZTXWAZXDFSNQO-LBPRGKRZSA-N 1 1 314.389 3.585 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCS[C@H](C)[C@H]2C)c1O ZINC000735665877 1020760519 /nfs/dbraw/zinc/76/05/19/1020760519.db2.gz BCDWTTPUACDEGL-ZIAGYGMSSA-N 1 1 321.486 3.845 20 30 DHEDMO C=C(Cl)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000735925865 1020779234 /nfs/dbraw/zinc/77/92/34/1020779234.db2.gz XBKLSHWLLQNDMJ-UHFFFAOYSA-N 1 1 322.748 3.706 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000661385727 1020835463 /nfs/dbraw/zinc/83/54/63/1020835463.db2.gz PGUFXXPGZAKENA-YOEHRIQHSA-N 1 1 316.470 3.778 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)ccc1C#N ZINC000581586875 1020895579 /nfs/dbraw/zinc/89/55/79/1020895579.db2.gz GEBLMZMOXODEPW-LJQANCHMSA-N 1 1 306.409 3.865 20 30 DHEDMO COc1cc(C[N@@H+]2Cc3ccccc3OC(C)(C)C2)ccc1C#N ZINC000581694460 1020901539 /nfs/dbraw/zinc/90/15/39/1020901539.db2.gz ROGZKCLJUCBLMI-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO COc1cc(C[N@H+]2Cc3ccccc3OC(C)(C)C2)ccc1C#N ZINC000581694460 1020901548 /nfs/dbraw/zinc/90/15/48/1020901548.db2.gz ROGZKCLJUCBLMI-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO CC(C)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180139860 1020940886 /nfs/dbraw/zinc/94/08/86/1020940886.db2.gz YGLNMJVVLOXHIU-KRWDZBQOSA-N 1 1 322.456 3.827 20 30 DHEDMO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ncc(Br)cc1F ZINC000414174103 1020962014 /nfs/dbraw/zinc/96/20/14/1020962014.db2.gz XTSXLAGCPQDRCB-SECBINFHSA-N 1 1 314.202 3.574 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)CC(C)(C)O ZINC000356222430 1020988357 /nfs/dbraw/zinc/98/83/57/1020988357.db2.gz PIRXRZZCPXGGMO-UHFFFAOYSA-N 1 1 314.351 3.560 20 30 DHEDMO C[C@H]1CC(N=Nc2nc(Cl)c(Cl)cc2Cl)CC[N@H+]1C ZINC000741458936 1021007964 /nfs/dbraw/zinc/00/79/64/1021007964.db2.gz ZMEYMXYGTBKVIK-ZETCQYMHSA-N 1 1 321.639 3.924 20 30 DHEDMO C#CC[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC000741781686 1021051789 /nfs/dbraw/zinc/05/17/89/1021051789.db2.gz ODLBQVREDTUGNL-MRXNPFEDSA-N 1 1 320.477 3.511 20 30 DHEDMO CC(C)(CCC#N)C[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000374277199 1021136745 /nfs/dbraw/zinc/13/67/45/1021136745.db2.gz JELOTVZEPISQQT-FQEVSTJZSA-N 1 1 313.489 3.818 20 30 DHEDMO C#CCCCCC(=O)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000180755306 1021158336 /nfs/dbraw/zinc/15/83/36/1021158336.db2.gz BVDSREFWSQJWLU-IBGZPJMESA-N 1 1 313.441 3.635 20 30 DHEDMO CC[NH+](CC)Cc1ccccc1CNCc1ccc(C#N)s1 ZINC000176943345 1021183083 /nfs/dbraw/zinc/18/30/83/1021183083.db2.gz DVUPPGJWFXURPK-UHFFFAOYSA-N 1 1 313.470 3.751 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@H](CC(C)C)C2)c(C#N)c1C ZINC000177360868 1021255472 /nfs/dbraw/zinc/25/54/72/1021255472.db2.gz BBWGCILRNYEVOX-CQSZACIVSA-N 1 1 319.474 3.543 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](CC(C)C)C2)c(C#N)c1C ZINC000177360868 1021255492 /nfs/dbraw/zinc/25/54/92/1021255492.db2.gz BBWGCILRNYEVOX-CQSZACIVSA-N 1 1 319.474 3.543 20 30 DHEDMO CC[C@]1(C)CCC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743388119 1021277545 /nfs/dbraw/zinc/27/75/45/1021277545.db2.gz NLERBTAXVGNWPI-LJQANCHMSA-N 1 1 308.429 3.891 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCS[C@@H](CC)C2)c1O ZINC000743398504 1021285183 /nfs/dbraw/zinc/28/51/83/1021285183.db2.gz XKVYSNYOCKZNRT-KRWDZBQOSA-N 1 1 321.486 3.847 20 30 DHEDMO Cc1[nH]c(CSc2nc(C(F)(F)F)ccc2C#N)c(C)[nH+]1 ZINC000917513544 1021285777 /nfs/dbraw/zinc/28/57/77/1021285777.db2.gz VXUQTEFQSDFBGZ-UHFFFAOYSA-N 1 1 312.320 3.604 20 30 DHEDMO Oc1ccc2ccccc2c1/C=N/CC[NH+]1Cc2ccccc2C1 ZINC000743538904 1021320666 /nfs/dbraw/zinc/32/06/66/1021320666.db2.gz SARNHZQTKXEFBM-LPYMAVHISA-N 1 1 316.404 3.980 20 30 DHEDMO CC1(C)C[C@@H](N2CCCC[C@@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC001171985813 1032970346 /nfs/dbraw/zinc/97/03/46/1032970346.db2.gz CNEJISVETCAQQR-RBUKOAKNSA-N 1 1 311.473 3.808 20 30 DHEDMO CC1(C)C[C@H](N2CCCC[C@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC001171985808 1032971185 /nfs/dbraw/zinc/97/11/85/1032971185.db2.gz CNEJISVETCAQQR-MOPGFXCFSA-N 1 1 311.473 3.808 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987709 1032972533 /nfs/dbraw/zinc/97/25/33/1032972533.db2.gz HUBGCDWZZAIIGK-QUCCMNQESA-N 1 1 310.485 3.775 20 30 DHEDMO N#CCOc1ccc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000743852796 1021378704 /nfs/dbraw/zinc/37/87/04/1021378704.db2.gz UBERWVBILVCIHI-IBGZPJMESA-N 1 1 314.429 3.513 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)cc1Br ZINC001236856670 1021390701 /nfs/dbraw/zinc/39/07/01/1021390701.db2.gz NMCQXOBPRMHLCS-ZFWWWQNUSA-N 1 1 319.246 3.943 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](O)c1c(F)cccc1F ZINC000744211595 1021467972 /nfs/dbraw/zinc/46/79/72/1021467972.db2.gz VVPKUVOBYOMZCW-SFHVURJKSA-N 1 1 317.379 3.729 20 30 DHEDMO N#C[C@H]1CCCCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073582 1032983248 /nfs/dbraw/zinc/98/32/48/1032983248.db2.gz APINDPASDFPWOA-PLACYPQZSA-N 1 1 323.484 3.950 20 30 DHEDMO C=CC[N@@H+](Cc1cnc(CC)s1)Cc1ccc(OC)cc1 ZINC000092217472 1021497924 /nfs/dbraw/zinc/49/79/24/1021497924.db2.gz VQBJUAOIZSXQGO-UHFFFAOYSA-N 1 1 302.443 3.902 20 30 DHEDMO C=CC[N@H+](Cc1cnc(CC)s1)Cc1ccc(OC)cc1 ZINC000092217472 1021497928 /nfs/dbraw/zinc/49/79/28/1021497928.db2.gz VQBJUAOIZSXQGO-UHFFFAOYSA-N 1 1 302.443 3.902 20 30 DHEDMO CC[C@@]1(C)CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075998364 1021508747 /nfs/dbraw/zinc/50/87/47/1021508747.db2.gz KNIILSIVZNTSKI-SFHVURJKSA-N 1 1 310.401 3.620 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CCCCCCC1 ZINC000744393833 1021526095 /nfs/dbraw/zinc/52/60/95/1021526095.db2.gz VKBJDHIQHTYZGR-UHFFFAOYSA-N 1 1 313.445 3.932 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000093643740 1021639332 /nfs/dbraw/zinc/63/93/32/1021639332.db2.gz DLKGZWMPHFWMET-GOEBONIOSA-N 1 1 322.880 3.819 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1Cl ZINC000093643740 1021639335 /nfs/dbraw/zinc/63/93/35/1021639335.db2.gz DLKGZWMPHFWMET-GOEBONIOSA-N 1 1 322.880 3.819 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1Cl ZINC000093643740 1021639342 /nfs/dbraw/zinc/63/93/42/1021639342.db2.gz DLKGZWMPHFWMET-GOEBONIOSA-N 1 1 322.880 3.819 20 30 DHEDMO CCCCCCCCC[N@@H+](C)Cc1cc(=O)n2ccccc2n1 ZINC000918741307 1021639932 /nfs/dbraw/zinc/63/99/32/1021639932.db2.gz GHNYKNPACBWSFY-UHFFFAOYSA-N 1 1 315.461 3.877 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000538147978 1033001310 /nfs/dbraw/zinc/00/13/10/1033001310.db2.gz SKBYHEKWFBLQHZ-WMLDXEAASA-N 1 1 319.424 3.766 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c(Cl)c1 ZINC000615229119 1021715159 /nfs/dbraw/zinc/71/51/59/1021715159.db2.gz LMGRWOSFPOXZRC-HZPDHXFCSA-N 1 1 318.848 3.850 20 30 DHEDMO C=C(Cl)C[NH2+]Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000763433344 1021740064 /nfs/dbraw/zinc/74/00/64/1021740064.db2.gz JENNUHRAWFPZFI-UHFFFAOYSA-N 1 1 318.804 3.511 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1ccccc1F ZINC000122589418 1021751342 /nfs/dbraw/zinc/75/13/42/1021751342.db2.gz FXYXDCKSGCIMCS-LJQANCHMSA-N 1 1 315.388 3.556 20 30 DHEDMO N#CC1(C[NH2+]Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000619535182 1021787987 /nfs/dbraw/zinc/78/79/87/1021787987.db2.gz BZUSTQNIFCMNOT-UHFFFAOYSA-N 1 1 310.372 3.798 20 30 DHEDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000619620396 1021813325 /nfs/dbraw/zinc/81/33/25/1021813325.db2.gz DIIURSWLBRGIQW-OAHLLOKOSA-N 1 1 316.420 3.845 20 30 DHEDMO COC(=O)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000194961176 1021825045 /nfs/dbraw/zinc/82/50/45/1021825045.db2.gz LDQCLRMGLFMCEM-UHFFFAOYSA-N 1 1 320.392 3.509 20 30 DHEDMO COc1cc(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)ccc1C#N ZINC000619674713 1021825409 /nfs/dbraw/zinc/82/54/09/1021825409.db2.gz CXLQMKCMUBDBRH-RISCZKNCSA-N 1 1 312.335 3.730 20 30 DHEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NC2(c3cccnn3)CC2)cc1 ZINC001168524810 1021885441 /nfs/dbraw/zinc/88/54/41/1021885441.db2.gz YIVWNXBYTARKIW-GOSISDBHSA-N 1 1 320.440 3.901 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c(-c2ccnn2C)c1 ZINC000619845206 1021917916 /nfs/dbraw/zinc/91/79/16/1021917916.db2.gz AACTXGCDJVVDEH-IBGZPJMESA-N 1 1 308.429 3.521 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)c(-c2ccnn2C)c1 ZINC000619845206 1021917927 /nfs/dbraw/zinc/91/79/27/1021917927.db2.gz AACTXGCDJVVDEH-IBGZPJMESA-N 1 1 308.429 3.521 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccccc2OCC)CC1 ZINC000153032022 1021934857 /nfs/dbraw/zinc/93/48/57/1021934857.db2.gz KKJOKCVRPLVLPL-INIZCTEOSA-N 1 1 302.462 3.776 20 30 DHEDMO Cc1nc(N2CCC(CC#N)CC2)cc(Nc2ccccc2)[nH+]1 ZINC000893118784 1021955745 /nfs/dbraw/zinc/95/57/45/1021955745.db2.gz KLDUNYJYTDORHV-UHFFFAOYSA-N 1 1 307.401 3.659 20 30 DHEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000198383103 1021959040 /nfs/dbraw/zinc/95/90/40/1021959040.db2.gz ZMISNMOBCARPNJ-UHFFFAOYSA-N 1 1 321.424 3.799 20 30 DHEDMO CC[N@@H+](Cc1cnn(CC(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000183084225 1021970757 /nfs/dbraw/zinc/97/07/57/1021970757.db2.gz KGYSGQFCXIZQLM-INIZCTEOSA-N 1 1 310.445 3.994 20 30 DHEDMO C#CC[N@H+](C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C1CCCCC1 ZINC000851737584 1021980784 /nfs/dbraw/zinc/98/07/84/1021980784.db2.gz IGOAMSBNDBPSPK-KRWDZBQOSA-N 1 1 318.505 3.539 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)C[C@@H]2CCCCO2)c1O ZINC000919944222 1021982891 /nfs/dbraw/zinc/98/28/91/1021982891.db2.gz XTDMTEZNHFGNPW-KRWDZBQOSA-N 1 1 319.445 3.520 20 30 DHEDMO C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172124261 1033022168 /nfs/dbraw/zinc/02/21/68/1033022168.db2.gz KBMDZUKCJCBMJM-XODKDNOYSA-N 1 1 308.469 3.624 20 30 DHEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172124261 1033022177 /nfs/dbraw/zinc/02/21/77/1033022177.db2.gz KBMDZUKCJCBMJM-XODKDNOYSA-N 1 1 308.469 3.624 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](CCCCc3ccccc3)CCO2)c1 ZINC000480889400 1022024225 /nfs/dbraw/zinc/02/42/25/1022024225.db2.gz NKSVEQANLALCTK-NRFANRHFSA-N 1 1 320.436 3.954 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](CCCCc3ccccc3)CCO2)c1 ZINC000480889400 1022024234 /nfs/dbraw/zinc/02/42/34/1022024234.db2.gz NKSVEQANLALCTK-NRFANRHFSA-N 1 1 320.436 3.954 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)s1 ZINC000128383822 1022046597 /nfs/dbraw/zinc/04/65/97/1022046597.db2.gz BPBNCHJVUDOEFR-INIZCTEOSA-N 1 1 300.452 3.910 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCSC[C@H]2c2ccccc2)s1 ZINC000128383822 1022046624 /nfs/dbraw/zinc/04/66/24/1022046624.db2.gz BPBNCHJVUDOEFR-INIZCTEOSA-N 1 1 300.452 3.910 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3cnc(C(F)(F)F)s3)CC2)c1 ZINC000341212919 1022051053 /nfs/dbraw/zinc/05/10/53/1022051053.db2.gz LKXNCIWHHYDXRU-UHFFFAOYSA-N 1 1 323.343 3.812 20 30 DHEDMO COc1cccc(/C=N/[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1O ZINC000920174032 1022073836 /nfs/dbraw/zinc/07/38/36/1022073836.db2.gz IYRGOLMQDPWMAR-QOXNFRGXSA-N 1 1 324.424 3.655 20 30 DHEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000852100032 1022075964 /nfs/dbraw/zinc/07/59/64/1022075964.db2.gz RVSRDVRCBRNTQA-GOSISDBHSA-N 1 1 314.454 3.922 20 30 DHEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2nc3ccc(C)cc3[nH]2)cc1 ZINC000766376770 1022086602 /nfs/dbraw/zinc/08/66/02/1022086602.db2.gz CILBOBCWHBPZSN-OAHLLOKOSA-N 1 1 319.408 3.734 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)c(C)c1 ZINC000852330459 1022107371 /nfs/dbraw/zinc/10/73/71/1022107371.db2.gz FNGYAUXMKNTYNW-HXUWFJFHSA-N 1 1 305.425 3.756 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)c(C)c1 ZINC000852330459 1022107376 /nfs/dbraw/zinc/10/73/76/1022107376.db2.gz FNGYAUXMKNTYNW-HXUWFJFHSA-N 1 1 305.425 3.756 20 30 DHEDMO Cc1ccccc1CCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328561 1022108128 /nfs/dbraw/zinc/10/81/28/1022108128.db2.gz HWKNTYWINZOSKX-OAQYLSRUSA-N 1 1 319.452 3.880 20 30 DHEDMO Cc1ccccc1CCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328561 1022108140 /nfs/dbraw/zinc/10/81/40/1022108140.db2.gz HWKNTYWINZOSKX-OAQYLSRUSA-N 1 1 319.452 3.880 20 30 DHEDMO Cc1ccc(C[N@@H+](CCC#N)CC2CC2)c(-c2ccnn2C)c1 ZINC000338945851 1022127174 /nfs/dbraw/zinc/12/71/74/1022127174.db2.gz WNOYSHWTXXNBBV-UHFFFAOYSA-N 1 1 308.429 3.521 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1nccn1C ZINC000183428700 1022142770 /nfs/dbraw/zinc/14/27/70/1022142770.db2.gz ORLGXXQJJINQHQ-HNNXBMFYSA-N 1 1 316.408 3.810 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000852686151 1022158325 /nfs/dbraw/zinc/15/83/25/1022158325.db2.gz OWVRNNUNRDPTLJ-HDICACEKSA-N 1 1 321.420 3.965 20 30 DHEDMO C#CCC[N@@H+](CCOC)Cc1csc(-c2ccc(C)cc2)n1 ZINC000852752794 1022172199 /nfs/dbraw/zinc/17/21/99/1022172199.db2.gz LTGCIQWZUWUGSV-UHFFFAOYSA-N 1 1 314.454 3.590 20 30 DHEDMO C#CCC[N@H+](CCOC)Cc1csc(-c2ccc(C)cc2)n1 ZINC000852752794 1022172209 /nfs/dbraw/zinc/17/22/09/1022172209.db2.gz LTGCIQWZUWUGSV-UHFFFAOYSA-N 1 1 314.454 3.590 20 30 DHEDMO C=C[C@H](CC(=O)NC(C)(C)C[N@H+](C)CCC)c1ccccc1 ZINC000620622934 1022205372 /nfs/dbraw/zinc/20/53/72/1022205372.db2.gz AKCLTLHELGFOQN-MRXNPFEDSA-N 1 1 302.462 3.583 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000153658111 1022234723 /nfs/dbraw/zinc/23/47/23/1022234723.db2.gz IWSXGYFQPQWSPY-AWEZNQCLSA-N 1 1 306.425 3.525 20 30 DHEDMO Oc1ccccc1/C=N\C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000921261044 1022238449 /nfs/dbraw/zinc/23/84/49/1022238449.db2.gz LCNLFBGZUCSCRM-BWCLHNGZSA-N 1 1 308.425 3.866 20 30 DHEDMO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000541391756 1022266631 /nfs/dbraw/zinc/26/66/31/1022266631.db2.gz ARMAUKQWYJJMQE-CYBMUJFWSA-N 1 1 319.836 3.518 20 30 DHEDMO COc1ccc(CNc2cc(C(F)(F)F)cc(C)[nH+]2)cc1C#N ZINC000853454671 1022275392 /nfs/dbraw/zinc/27/53/92/1022275392.db2.gz IXPWBMCYGCJYNT-UHFFFAOYSA-N 1 1 321.302 3.901 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cn1ncc(Cl)c1C1CC1 ZINC000853505770 1022285213 /nfs/dbraw/zinc/28/52/13/1022285213.db2.gz BCDWMNYQDSXWGD-UHFFFAOYSA-N 1 1 305.809 3.695 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cn1ncc(Cl)c1C1CC1 ZINC000853505770 1022285220 /nfs/dbraw/zinc/28/52/20/1022285220.db2.gz BCDWMNYQDSXWGD-UHFFFAOYSA-N 1 1 305.809 3.695 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@@](C)(Cc2ccccc2)CC1=O ZINC000853597665 1022295498 /nfs/dbraw/zinc/29/54/98/1022295498.db2.gz DIWKRKISMZBIGV-ZVDOUQERSA-N 1 1 324.468 3.608 20 30 DHEDMO C[C@@H](C[N@H+]1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000609739411 1022343211 /nfs/dbraw/zinc/34/32/11/1022343211.db2.gz GKPLCKIUACKSEO-SFHVURJKSA-N 1 1 319.452 3.874 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c(F)c1 ZINC000609916321 1022381170 /nfs/dbraw/zinc/38/11/70/1022381170.db2.gz IRQFBEXBAJRYRL-MRXNPFEDSA-N 1 1 312.363 3.901 20 30 DHEDMO CC1(C)C[N@@H+](CCCOc2ccc(C#N)cc2)[C@@H]1c1cccnc1 ZINC000854040331 1022396332 /nfs/dbraw/zinc/39/63/32/1022396332.db2.gz QFEDOLCHUMTWBD-LJQANCHMSA-N 1 1 321.424 3.805 20 30 DHEDMO CC[C@@H]1CCCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000610080178 1022416500 /nfs/dbraw/zinc/41/65/00/1022416500.db2.gz QJGYBVHDASCQQC-OAHLLOKOSA-N 1 1 319.836 3.805 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000337531229 1033051916 /nfs/dbraw/zinc/05/19/16/1033051916.db2.gz VEHNZGYZETUBHU-MRXNPFEDSA-N 1 1 316.493 3.689 20 30 DHEDMO C=CCN(CC1CCCCC1)C(=O)CCCn1cc[nH+]c1C ZINC000112198893 1022460667 /nfs/dbraw/zinc/46/06/67/1022460667.db2.gz STHWKJKEFGLILH-UHFFFAOYSA-N 1 1 303.450 3.567 20 30 DHEDMO Cc1nccc([C@H]2CCC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000615438244 1022476074 /nfs/dbraw/zinc/47/60/74/1022476074.db2.gz SGNSOITVESMUFP-KSSFIOAISA-N 1 1 306.413 3.597 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2nccn21 ZINC000179696063 1022511683 /nfs/dbraw/zinc/51/16/83/1022511683.db2.gz UFKSJRXZIDMHIQ-UHFFFAOYSA-N 1 1 304.397 3.617 20 30 DHEDMO C[C@H](C(=O)OC(C)(C)C)[N@@H+](CC1CCC(C#N)CC1)C1CC1 ZINC000930715951 1022538361 /nfs/dbraw/zinc/53/83/61/1022538361.db2.gz VFJHNZLUXFGKLE-WLYUNCDWSA-N 1 1 306.450 3.511 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2C)c1 ZINC000766856298 1022561853 /nfs/dbraw/zinc/56/18/53/1022561853.db2.gz SBWXXTMCNUAOMB-INIZCTEOSA-N 1 1 306.409 3.608 20 30 DHEDMO C=CC[C@@H](Nc1ccc([NH+]2CCCCC2)cc1C)C(=O)OC ZINC001169845628 1022564427 /nfs/dbraw/zinc/56/44/27/1022564427.db2.gz XQDZBRXFCMSBEG-QGZVFWFLSA-N 1 1 302.418 3.515 20 30 DHEDMO C=CC[C@H](Nc1ccc([NH+]2CCCCC2)cc1C)C(=O)OC ZINC001169845627 1022565900 /nfs/dbraw/zinc/56/59/00/1022565900.db2.gz XQDZBRXFCMSBEG-KRWDZBQOSA-N 1 1 302.418 3.515 20 30 DHEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nc(C)cs2)cc1 ZINC000162338943 1022591936 /nfs/dbraw/zinc/59/19/36/1022591936.db2.gz MSQZDQCTRZZMIW-KBPBESRZSA-N 1 1 300.427 3.875 20 30 DHEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nc(C)cs2)cc1 ZINC000162339051 1022592335 /nfs/dbraw/zinc/59/23/35/1022592335.db2.gz MSQZDQCTRZZMIW-ZIAGYGMSSA-N 1 1 300.427 3.875 20 30 DHEDMO C[N@H+]1CCCC[C@H]1c1ccc(NC2=CC(=O)CC(C)(C)C2)nc1 ZINC001169946574 1022598324 /nfs/dbraw/zinc/59/83/24/1022598324.db2.gz FQZRHMUOCRGEAA-KRWDZBQOSA-N 1 1 313.445 3.923 20 30 DHEDMO C#CCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000766913150 1022606244 /nfs/dbraw/zinc/60/62/44/1022606244.db2.gz DXQHSOYOKWFMLN-IAGOWNOFSA-N 1 1 320.477 3.654 20 30 DHEDMO C#CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000766896570 1022606284 /nfs/dbraw/zinc/60/62/84/1022606284.db2.gz SYKFMPHICZPNEI-SJORKVTESA-N 1 1 320.477 3.511 20 30 DHEDMO CCOc1ccc(O)c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000180030619 1022612940 /nfs/dbraw/zinc/61/29/40/1022612940.db2.gz APMCSFWGCWUDNE-UHFFFAOYSA-N 1 1 322.408 3.827 20 30 DHEDMO C=CCc1cc(C[NH2+][C@@H](C)c2nc(C)cs2)cc(OC)c1O ZINC000113334636 1022636407 /nfs/dbraw/zinc/63/64/07/1022636407.db2.gz DQIILCCZGSHZOL-LBPRGKRZSA-N 1 1 318.442 3.745 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000616133128 1022643002 /nfs/dbraw/zinc/64/30/02/1022643002.db2.gz YWTJDIDEHWIDIS-JKSUJKDBSA-N 1 1 323.415 3.969 20 30 DHEDMO C=C[C@H](CC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000159131561 1022693850 /nfs/dbraw/zinc/69/38/50/1022693850.db2.gz GJKRMKRGIZPQBN-KZNAEPCWSA-N 1 1 314.473 3.583 20 30 DHEDMO C=CCC[C@H]([NH2+]c1ccc(N2CCOCC2)c(C)c1)C1CC1 ZINC000180433033 1022718201 /nfs/dbraw/zinc/71/82/01/1022718201.db2.gz FJJPBIMGYNJDGT-SFHVURJKSA-N 1 1 300.446 3.988 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC001172304951 1033075390 /nfs/dbraw/zinc/07/53/90/1033075390.db2.gz BOVANBUEBDZZAE-UZLBHIALSA-N 1 1 306.409 3.563 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001172307304 1033076035 /nfs/dbraw/zinc/07/60/35/1033076035.db2.gz NQYZDYHJIXLBPK-UWJYYQICSA-N 1 1 320.436 3.780 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)cc1OC ZINC001172308237 1033079678 /nfs/dbraw/zinc/07/96/78/1033079678.db2.gz VKTKPRLCNHKKER-HNNXBMFYSA-N 1 1 324.424 3.638 20 30 DHEDMO Cc1cc(C[NH2+][C@@H]2CCCc3cn(C(C)C)nc32)ccc1C#N ZINC000767681807 1022779845 /nfs/dbraw/zinc/77/98/45/1022779845.db2.gz BGFDLUNZNUKSQD-GOSISDBHSA-N 1 1 308.429 3.811 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCC(=O)c1ccccc1 ZINC001172317180 1033085809 /nfs/dbraw/zinc/08/58/09/1033085809.db2.gz CCFLJGPNLCKNBG-MRXNPFEDSA-N 1 1 306.409 3.694 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)OCCCc1[nH+]cc(C)c(OC)c1C ZINC000768012600 1022862864 /nfs/dbraw/zinc/86/28/64/1022862864.db2.gz YVGPPDIZYMUGLT-ZDUSSCGKSA-N 1 1 305.418 3.785 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2nc(C)cs2)cc1OC ZINC000069168636 1022928041 /nfs/dbraw/zinc/92/80/41/1022928041.db2.gz WELQFRIHJDXYBU-ZDUSSCGKSA-N 1 1 318.442 3.876 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000768359316 1022952662 /nfs/dbraw/zinc/95/26/62/1022952662.db2.gz COWIDWMBBPJCHU-HXUWFJFHSA-N 1 1 306.409 3.821 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000768353936 1022952983 /nfs/dbraw/zinc/95/29/83/1022952983.db2.gz CMFFNZRQVKEKRT-KXBFYZLASA-N 1 1 307.397 3.710 20 30 DHEDMO Cc1[nH+]c2cc(Nc3snc(Cl)c3C#N)ccc2n1C ZINC000092658925 1022953131 /nfs/dbraw/zinc/95/31/31/1022953131.db2.gz HKWBKPIHQTZVRC-UHFFFAOYSA-N 1 1 303.778 3.607 20 30 DHEDMO CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000538510691 1033088903 /nfs/dbraw/zinc/08/89/03/1033088903.db2.gz DKDARDXSGSEJTH-CVEARBPZSA-N 1 1 317.452 3.716 20 30 DHEDMO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000538510692 1033089612 /nfs/dbraw/zinc/08/96/12/1033089612.db2.gz DKDARDXSGSEJTH-HOTGVXAUSA-N 1 1 317.452 3.716 20 30 DHEDMO N#CC1(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CCC1 ZINC000418139679 1022972789 /nfs/dbraw/zinc/97/27/89/1022972789.db2.gz IGHZNUCGBUKOBZ-CYBMUJFWSA-N 1 1 323.209 3.859 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC001212325359 1022998312 /nfs/dbraw/zinc/99/83/12/1022998312.db2.gz PVBMOHDYNDLZTJ-LBPRGKRZSA-N 1 1 309.291 3.559 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc3cc(OC)ccc32)no1 ZINC001212325525 1023003929 /nfs/dbraw/zinc/00/39/29/1023003929.db2.gz SVIHICVMNMUVGM-KRWDZBQOSA-N 1 1 321.380 3.702 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000876585583 1033099510 /nfs/dbraw/zinc/09/95/10/1033099510.db2.gz OXXIIRHQQWMDEB-HNNXBMFYSA-N 1 1 311.816 3.671 20 30 DHEDMO C#CCOc1ccccc1C[N@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000768873954 1023045128 /nfs/dbraw/zinc/04/51/28/1023045128.db2.gz WGQIEPIKHGMJQZ-MRXNPFEDSA-N 1 1 309.409 3.987 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H](CCN(C)C)c1ccccc1 ZINC001172296164 1033102239 /nfs/dbraw/zinc/10/22/39/1033102239.db2.gz XQWPYHYGGVNMHR-LAUBAEHRSA-N 1 1 321.468 3.772 20 30 DHEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000769334080 1023124690 /nfs/dbraw/zinc/12/46/90/1023124690.db2.gz BNGPJELVPOIDAT-HNNXBMFYSA-N 1 1 323.481 3.648 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000769334080 1023124693 /nfs/dbraw/zinc/12/46/93/1023124693.db2.gz BNGPJELVPOIDAT-HNNXBMFYSA-N 1 1 323.481 3.648 20 30 DHEDMO C#CCCOc1ccc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)cc1 ZINC000769389688 1023139589 /nfs/dbraw/zinc/13/95/89/1023139589.db2.gz MYVOGXZMUHRGEE-QGZVFWFLSA-N 1 1 323.436 3.857 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769445559 1023154315 /nfs/dbraw/zinc/15/43/15/1023154315.db2.gz GDUXSZJCSDPDEI-UHFFFAOYSA-N 1 1 320.452 3.841 20 30 DHEDMO C[C@H](C[N@@H+](C)CCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000066853886 1023160963 /nfs/dbraw/zinc/16/09/63/1023160963.db2.gz ZDTVIZVDGBHXTP-MRXNPFEDSA-N 1 1 321.424 3.622 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000876622713 1033110372 /nfs/dbraw/zinc/11/03/72/1033110372.db2.gz KZJHOOIRDKLHQC-HOTGVXAUSA-N 1 1 323.481 3.505 20 30 DHEDMO C#CC[N@H+](Cc1ccc(OC)c(OC(F)F)c1)C1CCCC1 ZINC000769530379 1023174219 /nfs/dbraw/zinc/17/42/19/1023174219.db2.gz MAIRLUDIYZMVOM-UHFFFAOYSA-N 1 1 309.356 3.674 20 30 DHEDMO COc1cccc(O)c1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000769549141 1023177034 /nfs/dbraw/zinc/17/70/34/1023177034.db2.gz OBHFZIBFNZPRCB-WMZOPIPTSA-N 1 1 322.408 3.673 20 30 DHEDMO CCc1oc2ccccc2c1C=NOCCCn1cc[nH+]c1C ZINC000769558518 1023181037 /nfs/dbraw/zinc/18/10/37/1023181037.db2.gz SQWGWIFRXFYVIH-UHFFFAOYSA-N 1 1 311.385 3.941 20 30 DHEDMO C#CC[N@@H+](CC)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000769730856 1023195282 /nfs/dbraw/zinc/19/52/82/1023195282.db2.gz NOOAENAIGWNNHZ-UHFFFAOYSA-N 1 1 302.421 3.841 20 30 DHEDMO CC[C@H]([NH2+]Cc1ccc(Cl)cn1)c1cccc(C#N)c1O ZINC000925694810 1023197374 /nfs/dbraw/zinc/19/73/74/1023197374.db2.gz UBQBIJQBSQNFEH-HNNXBMFYSA-N 1 1 301.777 3.553 20 30 DHEDMO CC1(C#N)CC[NH+](CCc2cccc(Br)c2)CC1 ZINC001207510715 1023201411 /nfs/dbraw/zinc/20/14/11/1023201411.db2.gz XONGKVRIUABQCR-UHFFFAOYSA-N 1 1 307.235 3.617 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCCC[C@H](SC)C2)cc1 ZINC000770352053 1023303636 /nfs/dbraw/zinc/30/36/36/1023303636.db2.gz XMVDUNLEWJTANH-SFHVURJKSA-N 1 1 303.471 3.806 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](CC)CC(F)F ZINC000660539612 1023315842 /nfs/dbraw/zinc/31/58/42/1023315842.db2.gz VIKHLBKOXDGXAC-ZDUSSCGKSA-N 1 1 301.377 3.831 20 30 DHEDMO CC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000859310613 1033123347 /nfs/dbraw/zinc/12/33/47/1033123347.db2.gz JPKFCBVUPLMVJE-JXFKEZNVSA-N 1 1 308.425 3.811 20 30 DHEDMO COc1ccc(C#N)cc1CO[NH+]=C(N)CCCc1ccccc1 ZINC000770695646 1023342668 /nfs/dbraw/zinc/34/26/68/1023342668.db2.gz ZZQHAGGNFITDHC-UHFFFAOYSA-N 1 1 323.396 3.588 20 30 DHEDMO C[C@H](C(=O)OCc1ccc(Cl)cc1C#N)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000772141275 1023519085 /nfs/dbraw/zinc/51/90/85/1023519085.db2.gz GBWPPFYNWGFXBW-FRRDWIJNSA-N 1 1 320.820 3.516 20 30 DHEDMO C=CCC(CC=C)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000133587244 1033140111 /nfs/dbraw/zinc/14/01/11/1033140111.db2.gz PSQDNLDDVJPYJB-MSOLQXFVSA-N 1 1 318.505 3.868 20 30 DHEDMO CCCCCCC[C@H](CC)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001172362153 1033142165 /nfs/dbraw/zinc/14/21/65/1033142165.db2.gz SSSCEZFJDHUBFV-HOTGVXAUSA-N 1 1 303.512 3.635 20 30 DHEDMO C#CC[N@H+](Cc1[nH]nc2ccccc21)[C@H]1CCc2ccccc21 ZINC000772596967 1023576901 /nfs/dbraw/zinc/57/69/01/1023576901.db2.gz CVPVSBYIEFWJDQ-FQEVSTJZSA-N 1 1 301.393 3.686 20 30 DHEDMO C#CC[N@@H+](Cc1[nH]nc2ccccc21)[C@H]1CCc2ccccc21 ZINC000772596967 1023576904 /nfs/dbraw/zinc/57/69/04/1023576904.db2.gz CVPVSBYIEFWJDQ-FQEVSTJZSA-N 1 1 301.393 3.686 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000661380594 1023582510 /nfs/dbraw/zinc/58/25/10/1023582510.db2.gz OVAMVTAYUFPHLD-GFCCVEGCSA-N 1 1 317.820 3.777 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000661380594 1023582512 /nfs/dbraw/zinc/58/25/12/1023582512.db2.gz OVAMVTAYUFPHLD-GFCCVEGCSA-N 1 1 317.820 3.777 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)C1 ZINC000661381171 1023584969 /nfs/dbraw/zinc/58/49/69/1023584969.db2.gz WVBWZWDFLPUKNV-GDBMZVCRSA-N 1 1 316.445 3.693 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)C1 ZINC000661381171 1023584974 /nfs/dbraw/zinc/58/49/74/1023584974.db2.gz WVBWZWDFLPUKNV-GDBMZVCRSA-N 1 1 316.445 3.693 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000661381094 1023585279 /nfs/dbraw/zinc/58/52/79/1023585279.db2.gz VHYCQKMCXLFLIQ-ZDUSSCGKSA-N 1 1 323.396 3.870 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000661381094 1023585288 /nfs/dbraw/zinc/58/52/88/1023585288.db2.gz VHYCQKMCXLFLIQ-ZDUSSCGKSA-N 1 1 323.396 3.870 20 30 DHEDMO C=CCCCCC[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000785676036 1023602168 /nfs/dbraw/zinc/60/21/68/1023602168.db2.gz MYDHKRSXTSJKGT-MRXNPFEDSA-N 1 1 310.482 3.922 20 30 DHEDMO C=CCCCCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000785714031 1023611642 /nfs/dbraw/zinc/61/16/42/1023611642.db2.gz VABKCHWFISEULT-OALUTQOASA-N 1 1 303.446 3.557 20 30 DHEDMO CCCCCCCCCN1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000785990856 1023648722 /nfs/dbraw/zinc/64/87/22/1023648722.db2.gz BAAWJIFFTZKUIN-GOSISDBHSA-N 1 1 310.526 3.922 20 30 DHEDMO CCCCCCCCC[N@@H+]1CCN(C2CCOCC2)C[C@H]1C ZINC000785990856 1023648726 /nfs/dbraw/zinc/64/87/26/1023648726.db2.gz BAAWJIFFTZKUIN-GOSISDBHSA-N 1 1 310.526 3.922 20 30 DHEDMO CCCCCCCCC[N@H+]1CCN(C2CCOCC2)C[C@H]1C ZINC000785990856 1023648729 /nfs/dbraw/zinc/64/87/29/1023648729.db2.gz BAAWJIFFTZKUIN-GOSISDBHSA-N 1 1 310.526 3.922 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000785998743 1023650257 /nfs/dbraw/zinc/65/02/57/1023650257.db2.gz LTMNTAMEPCHLNZ-INIZCTEOSA-N 1 1 308.466 3.674 20 30 DHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172370855 1033151425 /nfs/dbraw/zinc/15/14/25/1033151425.db2.gz BOXNZRFEVBULQB-SOAMZJECSA-N 1 1 318.505 3.844 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)(C)C ZINC000661755482 1023734249 /nfs/dbraw/zinc/73/42/49/1023734249.db2.gz RRLXWLPBNMCTSB-UHFFFAOYSA-N 1 1 314.351 3.930 20 30 DHEDMO C[C@H](OC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000786883491 1023738912 /nfs/dbraw/zinc/73/89/12/1023738912.db2.gz RCGFNMZXASNKCL-KSSFIOAISA-N 1 1 312.413 3.569 20 30 DHEDMO C=CCC1([NH2+]Cc2ncsc2Br)CCCC1 ZINC000661850270 1023778462 /nfs/dbraw/zinc/77/84/62/1023778462.db2.gz GGIXNJYFRPMMOB-UHFFFAOYSA-N 1 1 301.253 3.884 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCO[C@H](c4ccccc4)C3)cc2)CC1 ZINC000596982736 1023758170 /nfs/dbraw/zinc/75/81/70/1023758170.db2.gz HNIHXMVVKCEVEE-FQEVSTJZSA-N 1 1 318.420 3.815 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCO[C@H](c4ccccc4)C3)cc2)CC1 ZINC000596982736 1023758176 /nfs/dbraw/zinc/75/81/76/1023758176.db2.gz HNIHXMVVKCEVEE-FQEVSTJZSA-N 1 1 318.420 3.815 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1OC(C)C ZINC000597174562 1023770507 /nfs/dbraw/zinc/77/05/07/1023770507.db2.gz QZBYPKPZUGUAAW-HNNXBMFYSA-N 1 1 302.418 3.608 20 30 DHEDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](CCC#N)CC(C)C ZINC000787408443 1023793024 /nfs/dbraw/zinc/79/30/24/1023793024.db2.gz UNRODPPDXCFGEY-XNTDXEJSSA-N 1 1 301.390 3.870 20 30 DHEDMO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccccc2CF)CC1 ZINC001167784662 1023805494 /nfs/dbraw/zinc/80/54/94/1023805494.db2.gz JYDFGBBIBKJFSH-HXUWFJFHSA-N 1 1 323.415 3.539 20 30 DHEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000787997677 1023836210 /nfs/dbraw/zinc/83/62/10/1023836210.db2.gz PDVRSWJMVUJNKP-UHFFFAOYSA-N 1 1 313.832 3.949 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCSC(C)(C)CC2)c1O ZINC000788378884 1023879505 /nfs/dbraw/zinc/87/95/05/1023879505.db2.gz TXBHJELFKGRPBE-UHFFFAOYSA-N 1 1 321.486 3.847 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000662085074 1023892561 /nfs/dbraw/zinc/89/25/61/1023892561.db2.gz ZWHDMCNSLCOIJB-CALCHBBNSA-N 1 1 314.820 3.604 20 30 DHEDMO CC(C)(CCC#N)CNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000599085678 1023895435 /nfs/dbraw/zinc/89/54/35/1023895435.db2.gz VAMZCHCRJKQXTF-UHFFFAOYSA-N 1 1 321.428 3.739 20 30 DHEDMO COc1ccc([C@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1F ZINC000876900956 1033177832 /nfs/dbraw/zinc/17/78/32/1033177832.db2.gz VMDYFCQGHIZPRN-JTQLQIEISA-N 1 1 319.767 3.605 20 30 DHEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+]([C@H](CC)CC(C)C)C2 ZINC001172394956 1033178515 /nfs/dbraw/zinc/17/85/15/1033178515.db2.gz AMENKYAAIAFXGT-MJGOQNOKSA-N 1 1 306.494 3.844 20 30 DHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H](CC)CC(C)C)C2 ZINC001172401271 1033183028 /nfs/dbraw/zinc/18/30/28/1033183028.db2.gz LLADQJRKJWXPJD-IPMKNSEASA-N 1 1 309.494 3.885 20 30 DHEDMO COc1cccc(C[N@H+](C)Cc2ccc(C#N)cc2)c1OC(C)C ZINC000127385099 1024042603 /nfs/dbraw/zinc/04/26/03/1024042603.db2.gz FPFVPBHJTAAQRX-UHFFFAOYSA-N 1 1 324.424 3.986 20 30 DHEDMO COc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1OC(C)C ZINC000127385099 1024042606 /nfs/dbraw/zinc/04/26/06/1024042606.db2.gz FPFVPBHJTAAQRX-UHFFFAOYSA-N 1 1 324.424 3.986 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)C/C=C\c2ccc(Cl)cc2)n1 ZINC000789328898 1024048773 /nfs/dbraw/zinc/04/87/73/1024048773.db2.gz BSJFCMNVHITSSA-WAYWQWQTSA-N 1 1 313.832 3.705 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)C/C=C\c2ccc(Cl)cc2)n1 ZINC000789328898 1024048787 /nfs/dbraw/zinc/04/87/87/1024048787.db2.gz BSJFCMNVHITSSA-WAYWQWQTSA-N 1 1 313.832 3.705 20 30 DHEDMO C[N@@H+](CC(=O)N[C@H](CCCC#N)c1ccccc1)CC(C)(C)C ZINC000602157003 1024087858 /nfs/dbraw/zinc/08/78/58/1024087858.db2.gz AWJAFECLFFRMDU-QGZVFWFLSA-N 1 1 315.461 3.516 20 30 DHEDMO CC(C)c1cccc2c1CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000789555179 1024110637 /nfs/dbraw/zinc/11/06/37/1024110637.db2.gz UDTXDQWOAPMRGD-OAQYLSRUSA-N 1 1 320.436 3.773 20 30 DHEDMO O=[N+]([O-])c1cc(C=[NH+]OCCCCCF)ccc1N1CCCC1 ZINC000789565483 1024118465 /nfs/dbraw/zinc/11/84/65/1024118465.db2.gz HGGAORDYNGLNPL-UHFFFAOYSA-N 1 1 323.368 3.685 20 30 DHEDMO CC(C)[N@H+](Cc1cccc(F)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268648724 1024137782 /nfs/dbraw/zinc/13/77/82/1024137782.db2.gz VHOOPBUJNGDWAI-LJQANCHMSA-N 1 1 312.388 3.641 20 30 DHEDMO CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000268649413 1024138676 /nfs/dbraw/zinc/13/86/76/1024138676.db2.gz GEWPNOLCRFPVML-MGPUTAFESA-N 1 1 319.408 3.546 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C)c(Cl)c2)n1 ZINC000789759813 1024158976 /nfs/dbraw/zinc/15/89/76/1024158976.db2.gz YWVNQBHNVCBKKH-UHFFFAOYSA-N 1 1 301.821 3.500 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C)c(Cl)c2)n1 ZINC000789759813 1024158982 /nfs/dbraw/zinc/15/89/82/1024158982.db2.gz YWVNQBHNVCBKKH-UHFFFAOYSA-N 1 1 301.821 3.500 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)C[C@@H](CCC)c2ccccc2)n1 ZINC000789759565 1024159255 /nfs/dbraw/zinc/15/92/55/1024159255.db2.gz VSRIGIQDGFUKGO-LJQANCHMSA-N 1 1 309.457 3.922 20 30 DHEDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000562057896 1024181891 /nfs/dbraw/zinc/18/18/91/1024181891.db2.gz HRDDFOHAUKAMLH-GFCCVEGCSA-N 1 1 307.825 3.661 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCc3c2cccc3F)c1 ZINC000876973771 1033194887 /nfs/dbraw/zinc/19/48/87/1033194887.db2.gz PBUOYFREXJMXJI-OAHLLOKOSA-N 1 1 301.752 3.523 20 30 DHEDMO CC(C)N(C)c1ccc(C=[NH+]NCc2ccc(Cl)cc2)cn1 ZINC000790166916 1024234365 /nfs/dbraw/zinc/23/43/65/1024234365.db2.gz YHGFYGVSBRDRRI-UHFFFAOYSA-N 1 1 316.836 3.703 20 30 DHEDMO Cc1cccnc1N=NC(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000790185180 1024236015 /nfs/dbraw/zinc/23/60/15/1024236015.db2.gz DFCGSOFSNNFQFF-SFHVURJKSA-N 1 1 308.429 3.700 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000876999079 1033203250 /nfs/dbraw/zinc/20/32/50/1033203250.db2.gz RGLNJAFUPZMKRF-OAHLLOKOSA-N 1 1 313.788 3.610 20 30 DHEDMO COc1ccccc1C(C)(C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877007298 1033203870 /nfs/dbraw/zinc/20/38/70/1033203870.db2.gz KYQMCMBPOZSWDF-UHFFFAOYSA-N 1 1 315.804 3.640 20 30 DHEDMO CC(C)OCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001172458090 1033213652 /nfs/dbraw/zinc/21/36/52/1033213652.db2.gz XVYLVJOVFZONMI-VQIMIIECSA-N 1 1 316.445 3.605 20 30 DHEDMO C=CCN(C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)C1CC1 ZINC000271381563 1024496134 /nfs/dbraw/zinc/49/61/34/1024496134.db2.gz JQCHWOHKXPLGTI-UHFFFAOYSA-N 1 1 300.446 3.708 20 30 DHEDMO CC(C)OCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001172460602 1033215712 /nfs/dbraw/zinc/21/57/12/1033215712.db2.gz PQEIDWKGHUGKCH-VQIMIIECSA-N 1 1 316.445 3.605 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000791471702 1024506991 /nfs/dbraw/zinc/50/69/91/1024506991.db2.gz VNBMWUGAYIMDHP-FQEVSTJZSA-N 1 1 310.441 3.615 20 30 DHEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000791577688 1024519274 /nfs/dbraw/zinc/51/92/74/1024519274.db2.gz COWJLPWPHJRUJO-WFASDCNBSA-N 1 1 312.335 3.600 20 30 DHEDMO CC[C@@H](C)C[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000111692137 1024561635 /nfs/dbraw/zinc/56/16/35/1024561635.db2.gz BLANYEOIUBYVKX-CQSZACIVSA-N 1 1 321.852 3.565 20 30 DHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2nc3ccccc3o2)c1 ZINC000877047151 1033220022 /nfs/dbraw/zinc/22/00/22/1033220022.db2.gz YFWYMKSTQOFATL-OAHLLOKOSA-N 1 1 321.380 3.799 20 30 DHEDMO CN(CC[C@H]1CCCC[N@H+]1C)[C@H](C#N)c1ccc(Cl)cc1 ZINC000585719848 1024571583 /nfs/dbraw/zinc/57/15/83/1024571583.db2.gz VTSCUWAJIQXLIS-IAGOWNOFSA-N 1 1 305.853 3.711 20 30 DHEDMO CCC[N@@H+](C)C[C@H]1CCN([C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000585719861 1024573764 /nfs/dbraw/zinc/57/37/64/1024573764.db2.gz WZYJACMKVGXBCG-PBHICJAKSA-N 1 1 305.853 3.568 20 30 DHEDMO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339166011 1024578509 /nfs/dbraw/zinc/57/85/09/1024578509.db2.gz RCMGCXMRBYGHCI-AWEZNQCLSA-N 1 1 322.250 3.921 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000339166011 1024578516 /nfs/dbraw/zinc/57/85/16/1024578516.db2.gz RCMGCXMRBYGHCI-AWEZNQCLSA-N 1 1 322.250 3.921 20 30 DHEDMO C=CCC1(C(=O)OC[C@@H]2CCC[N@H+]2Cc2ccco2)CCC1 ZINC000791847899 1024582606 /nfs/dbraw/zinc/58/26/06/1024582606.db2.gz BFLQJIQYDBMLKY-HNNXBMFYSA-N 1 1 303.402 3.534 20 30 DHEDMO COc1ncc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cc1Cl ZINC000585764843 1024602749 /nfs/dbraw/zinc/60/27/49/1024602749.db2.gz QPGPJHXRBKZUIR-JTQLQIEISA-N 1 1 319.767 3.605 20 30 DHEDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000475696024 1024608707 /nfs/dbraw/zinc/60/87/07/1024608707.db2.gz CKANDDVOMSRFJN-QGZVFWFLSA-N 1 1 306.837 3.585 20 30 DHEDMO CCCC#CC(=O)N1CC[C@H]2C[N@H+](C[C@H](CC)CCCC)C[C@H]21 ZINC001274653648 1024611233 /nfs/dbraw/zinc/61/12/33/1024611233.db2.gz DADRJZAMPXZOFE-CEXWTWQISA-N 1 1 318.505 3.539 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001172491919 1033222978 /nfs/dbraw/zinc/22/29/78/1033222978.db2.gz IFPAEDXESHDBDP-PMPSAXMXSA-N 1 1 323.481 3.694 20 30 DHEDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000348816808 1024622664 /nfs/dbraw/zinc/62/26/64/1024622664.db2.gz MSNRVDRWRNORHI-QGZVFWFLSA-N 1 1 313.445 3.588 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CCC2(CC(OCC)C2)C1 ZINC000348876553 1024638708 /nfs/dbraw/zinc/63/87/08/1024638708.db2.gz NAAAZFOCRDQACH-UHFFFAOYSA-N 1 1 301.430 3.642 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@H]2c2cccnc2)cc(OC)c1O ZINC000348906551 1024646512 /nfs/dbraw/zinc/64/65/12/1024646512.db2.gz UFKPDGRVATZQKB-SFHVURJKSA-N 1 1 324.424 3.861 20 30 DHEDMO CN(C)c1ccc(C[N@@H+](CC#Cc2ccccc2)C2CC2)cc1 ZINC000792206926 1024647644 /nfs/dbraw/zinc/64/76/44/1024647644.db2.gz RLRHADCFPOAWPP-UHFFFAOYSA-N 1 1 304.437 3.769 20 30 DHEDMO C=CC[N@H+](Cc1nc2sc3c(c2c(N)n1)CCCC3)C(C)C ZINC000757085754 1024672862 /nfs/dbraw/zinc/67/28/62/1024672862.db2.gz SFWMCKFSOPXOGT-UHFFFAOYSA-N 1 1 316.474 3.549 20 30 DHEDMO C=CC[N@@H+](Cc1nc2sc3c(c2c(N)n1)CCCC3)C(C)C ZINC000757085754 1024672869 /nfs/dbraw/zinc/67/28/69/1024672869.db2.gz SFWMCKFSOPXOGT-UHFFFAOYSA-N 1 1 316.474 3.549 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+](C)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001172498866 1033228929 /nfs/dbraw/zinc/22/89/29/1033228929.db2.gz SAYDSPJHOQAFAM-CRAIPNDOSA-N 1 1 323.481 3.790 20 30 DHEDMO COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)[C@H](C)CCCC#N ZINC001172497304 1033229029 /nfs/dbraw/zinc/22/90/29/1033229029.db2.gz AQPKGWZEYYOODK-CVEARBPZSA-N 1 1 302.418 3.523 20 30 DHEDMO COc1ccccc1[C@H](O)C[N@@H+](C(C)C)[C@H](C)CCCC#N ZINC001172501765 1033231516 /nfs/dbraw/zinc/23/15/16/1033231516.db2.gz RLTPLBSQUWUTBG-NVXWUHKLSA-N 1 1 304.434 3.521 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001170331972 1024745450 /nfs/dbraw/zinc/74/54/50/1024745450.db2.gz CWADIYNZTJQEKQ-DLBZAZTESA-N 1 1 322.493 3.922 20 30 DHEDMO C=CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC001170351200 1024758481 /nfs/dbraw/zinc/75/84/81/1024758481.db2.gz AXGSQMLADHMVSD-ZDUSSCGKSA-N 1 1 306.406 3.821 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCc3cccnc3C2)CC1 ZINC001170395751 1024763561 /nfs/dbraw/zinc/76/35/61/1024763561.db2.gz OQIMOXBWJVUIHK-UHFFFAOYSA-N 1 1 317.436 3.844 20 30 DHEDMO CC[C@@H]1CCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000350060147 1024787754 /nfs/dbraw/zinc/78/77/54/1024787754.db2.gz OZXKBGWKJLFMIP-OAHLLOKOSA-N 1 1 309.413 3.612 20 30 DHEDMO C#CC[N@H+](CCCc1ccc(C)nc1)[C@@H]1CCc2ccccc21 ZINC000792760428 1024789433 /nfs/dbraw/zinc/78/94/33/1024789433.db2.gz IHBRSRCDLWYZNH-OAQYLSRUSA-N 1 1 304.437 3.945 20 30 DHEDMO CCC[N@@H+]([C@H](C)CCCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001172509941 1033238923 /nfs/dbraw/zinc/23/89/23/1033238923.db2.gz SSEISULXLPDJCW-HZPDHXFCSA-N 1 1 323.481 3.790 20 30 DHEDMO COc1ccc([C@@H]2CSCC[N@H+]2[C@H](C)CCCC#N)cc1 ZINC001172506937 1033235182 /nfs/dbraw/zinc/23/51/82/1033235182.db2.gz MGOQRHGCUGWBGD-PBHICJAKSA-N 1 1 304.459 3.867 20 30 DHEDMO C[C@@H](CCCC#N)[NH+]1CC(Oc2ccc(C(F)(F)F)cc2)C1 ZINC001172504902 1033235247 /nfs/dbraw/zinc/23/52/47/1033235247.db2.gz IUHQERVEEZZMQX-LBPRGKRZSA-N 1 1 312.335 3.851 20 30 DHEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001172511251 1033237092 /nfs/dbraw/zinc/23/70/92/1033237092.db2.gz PFQFWBSQTUHDNM-JKSUJKDBSA-N 1 1 303.512 3.635 20 30 DHEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cn(-c2ccccc2)nn1 ZINC000150872781 1024863327 /nfs/dbraw/zinc/86/33/27/1024863327.db2.gz BHUAHFNYGRUELY-LSDHHAIUSA-N 1 1 317.396 3.551 20 30 DHEDMO C=C(C)CN1CC[C@]2(CC[N@H+](C[C@@H](CC)CCCC)C2)C1=O ZINC001275081217 1024905970 /nfs/dbraw/zinc/90/59/70/1024905970.db2.gz FGZUUCZMWQRRRM-HKUYNNGSSA-N 1 1 306.494 3.703 20 30 DHEDMO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCCCCCCC ZINC001275118799 1024925093 /nfs/dbraw/zinc/92/50/93/1024925093.db2.gz KBNPDSQETCVQCM-HXUWFJFHSA-N 1 1 318.505 3.827 20 30 DHEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000118850059 1024930929 /nfs/dbraw/zinc/93/09/29/1024930929.db2.gz DQKNWWCLMQVEPP-RKVPGOIHSA-N 1 1 311.429 3.540 20 30 DHEDMO COc1cccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000353302279 1025018749 /nfs/dbraw/zinc/01/87/49/1025018749.db2.gz ICSRPUNDIFBBQG-UHFFFAOYSA-N 1 1 309.413 3.620 20 30 DHEDMO CC(C)[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2Br)C1 ZINC001229007496 1025053541 /nfs/dbraw/zinc/05/35/41/1025053541.db2.gz MTFSVAQOKBVUFL-CYBMUJFWSA-N 1 1 323.234 3.572 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)s1)Cc1ccccc1N1CCCC1 ZINC000121238609 1025082236 /nfs/dbraw/zinc/08/22/36/1025082236.db2.gz DYMZZAAZZJZHRL-UHFFFAOYSA-N 1 1 311.454 3.852 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1N1CCCC1 ZINC000121238609 1025082244 /nfs/dbraw/zinc/08/22/44/1025082244.db2.gz DYMZZAAZZJZHRL-UHFFFAOYSA-N 1 1 311.454 3.852 20 30 DHEDMO CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000052209018 1025125186 /nfs/dbraw/zinc/12/51/86/1025125186.db2.gz APIQJACCAZKXED-UHFFFAOYSA-N 1 1 317.452 3.641 20 30 DHEDMO CCCC[N@H+](C)CC1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000052209018 1025125191 /nfs/dbraw/zinc/12/51/91/1025125191.db2.gz APIQJACCAZKXED-UHFFFAOYSA-N 1 1 317.452 3.641 20 30 DHEDMO CCCC[N@@H+](C)CC1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000052209018 1025125198 /nfs/dbraw/zinc/12/51/98/1025125198.db2.gz APIQJACCAZKXED-UHFFFAOYSA-N 1 1 317.452 3.641 20 30 DHEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001167889379 1025191011 /nfs/dbraw/zinc/19/10/11/1025191011.db2.gz LEEWNYQUPMQXRD-GOEBONIOSA-N 1 1 312.413 3.592 20 30 DHEDMO C=CCn1cc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cn1 ZINC001139772598 1025203701 /nfs/dbraw/zinc/20/37/01/1025203701.db2.gz LUQNEPWJYPFGSA-MRXNPFEDSA-N 1 1 301.821 3.712 20 30 DHEDMO CN(Cc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000351971307 1025229017 /nfs/dbraw/zinc/22/90/17/1025229017.db2.gz BFENJAPDNPJOFG-OAQYLSRUSA-N 1 1 319.452 3.655 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000351971307 1025229036 /nfs/dbraw/zinc/22/90/36/1025229036.db2.gz BFENJAPDNPJOFG-OAQYLSRUSA-N 1 1 319.452 3.655 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000351971307 1025229105 /nfs/dbraw/zinc/22/91/05/1025229105.db2.gz BFENJAPDNPJOFG-OAQYLSRUSA-N 1 1 319.452 3.655 20 30 DHEDMO CO[C@@H](C)C[N@@H+](Cc1cccc(OCCCC#N)c1)C(C)C ZINC000353779141 1025245089 /nfs/dbraw/zinc/24/50/89/1025245089.db2.gz GNAMCBIHDKLFQF-INIZCTEOSA-N 1 1 304.434 3.614 20 30 DHEDMO COc1ccc(C[N@H+](CCC#N)C(C)C)cc1Br ZINC000042529990 1025253076 /nfs/dbraw/zinc/25/30/76/1025253076.db2.gz MRHFTXHAZWEPBJ-UHFFFAOYSA-N 1 1 311.223 3.582 20 30 DHEDMO COc1ccc(C[N@@H+](CCC#N)C(C)C)cc1Br ZINC000042529990 1025253087 /nfs/dbraw/zinc/25/30/87/1025253087.db2.gz MRHFTXHAZWEPBJ-UHFFFAOYSA-N 1 1 311.223 3.582 20 30 DHEDMO CC1(C)CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000112701646 1025258191 /nfs/dbraw/zinc/25/81/91/1025258191.db2.gz ULUIVCDUYXOKGI-UHFFFAOYSA-N 1 1 323.440 3.860 20 30 DHEDMO CC1(C)CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000112701646 1025258195 /nfs/dbraw/zinc/25/81/95/1025258195.db2.gz ULUIVCDUYXOKGI-UHFFFAOYSA-N 1 1 323.440 3.860 20 30 DHEDMO COCC[N@@H+](CCCc1ccccc1)Cc1cccc(C#N)c1 ZINC000053133598 1025275740 /nfs/dbraw/zinc/27/57/40/1025275740.db2.gz LHYMOULYHBPXSR-UHFFFAOYSA-N 1 1 308.425 3.639 20 30 DHEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(C(F)(F)F)cc1 ZINC000352824870 1025278556 /nfs/dbraw/zinc/27/85/56/1025278556.db2.gz REOCHCARYOTEGA-SECBINFHSA-N 1 1 311.332 3.884 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1coc2ccccc12 ZINC001275288755 1025296607 /nfs/dbraw/zinc/29/66/07/1025296607.db2.gz QCWAUMJPYCCFRD-FQEVSTJZSA-N 1 1 324.424 3.576 20 30 DHEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000053211298 1025333990 /nfs/dbraw/zinc/33/39/90/1025333990.db2.gz XLWWAVUHPHCCTC-OAHLLOKOSA-N 1 1 317.458 3.603 20 30 DHEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000053230121 1025344904 /nfs/dbraw/zinc/34/49/04/1025344904.db2.gz FQKSPDMRXPUOLW-FQEVSTJZSA-N 1 1 306.409 3.739 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccccc1)C(C)C ZINC000354245372 1025390162 /nfs/dbraw/zinc/39/01/62/1025390162.db2.gz UIMJJCDNPUOBGC-UHFFFAOYSA-N 1 1 324.424 3.856 20 30 DHEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885927369 1025408395 /nfs/dbraw/zinc/40/83/95/1025408395.db2.gz QUPCGVWZZGICGL-HOCLYGCPSA-N 1 1 312.413 3.870 20 30 DHEDMO N#Cc1csc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)c1 ZINC000124005133 1025410904 /nfs/dbraw/zinc/41/09/04/1025410904.db2.gz JRIHIPJNOVENGB-UHFFFAOYSA-N 1 1 310.422 3.715 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]2CCc2ccccc2)CCC1 ZINC000885959323 1025419792 /nfs/dbraw/zinc/41/97/92/1025419792.db2.gz YGXPIHPWZCXZPE-RBUKOAKNSA-N 1 1 312.457 3.528 20 30 DHEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886008419 1025436002 /nfs/dbraw/zinc/43/60/02/1025436002.db2.gz MCVCHBAPXDXWNT-QZTJIDSGSA-N 1 1 300.446 3.760 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CCC1 ZINC000886008517 1025436450 /nfs/dbraw/zinc/43/64/50/1025436450.db2.gz OOVAABGKYHMOCB-YOEHRIQHSA-N 1 1 320.383 3.547 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)CCC1 ZINC000886033533 1025445743 /nfs/dbraw/zinc/44/57/43/1025445743.db2.gz WOXKOIRBJMTXBF-MSOLQXFVSA-N 1 1 316.420 3.798 20 30 DHEDMO C[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001137632889 1025448524 /nfs/dbraw/zinc/44/85/24/1025448524.db2.gz OCIKZGUFOGMRMK-LBPRGKRZSA-N 1 1 307.235 3.943 20 30 DHEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000127074781 1025528206 /nfs/dbraw/zinc/52/82/06/1025528206.db2.gz WDHALORFKGAZLE-OAHLLOKOSA-N 1 1 310.397 3.726 20 30 DHEDMO Cc1ccc([C@H]2CC[N@@H+](C[C@H](O)CC3(C#N)CCC3)C2)c(C)c1 ZINC000886181300 1025552346 /nfs/dbraw/zinc/55/23/46/1025552346.db2.gz JGCBDZKFSQWHHT-ZWKOTPCHSA-N 1 1 312.457 3.538 20 30 DHEDMO C#CC[N@H+](C)C[C@@](O)(CCc1ccc(Cl)cc1)C(C)(C)C ZINC001253495092 1025554570 /nfs/dbraw/zinc/55/45/70/1025554570.db2.gz MWFJCEAXMKJUSA-SFHVURJKSA-N 1 1 307.865 3.615 20 30 DHEDMO N#CC1(C[C@H](O)C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CCC1 ZINC000886192082 1025555111 /nfs/dbraw/zinc/55/51/11/1025555111.db2.gz GPPCZQJXFQRQOG-YRPNKDGESA-N 1 1 324.468 3.842 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)CCC1 ZINC000886247732 1025570524 /nfs/dbraw/zinc/57/05/24/1025570524.db2.gz ZNLGKDWQOABEHB-RBUKOAKNSA-N 1 1 324.468 3.701 20 30 DHEDMO CSc1ccc(C[NH2+]Cc2ccc(SC)c(C#N)c2)o1 ZINC000886277219 1025577209 /nfs/dbraw/zinc/57/72/09/1025577209.db2.gz KQXZLXXOAVKBMD-UHFFFAOYSA-N 1 1 304.440 3.885 20 30 DHEDMO CC(=O)Nc1cccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000060566436 1025588134 /nfs/dbraw/zinc/58/81/34/1025588134.db2.gz WGWMNSQEBOXBOQ-UHFFFAOYSA-N 1 1 321.424 3.927 20 30 DHEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000886355279 1025602555 /nfs/dbraw/zinc/60/25/55/1025602555.db2.gz FVEDYSIEOVCLIR-QWHCGFSZSA-N 1 1 315.804 3.796 20 30 DHEDMO CC1(C#N)CC[NH+](Cc2cc(OC(F)(F)F)ccc2F)CC1 ZINC001143544947 1025607251 /nfs/dbraw/zinc/60/72/51/1025607251.db2.gz MMGOLDAOPBTZSI-UHFFFAOYSA-N 1 1 316.298 3.850 20 30 DHEDMO N#Cc1cccc(C2([NH2+][C@@H]3CCc4c3nccc4Cl)CC2)c1 ZINC000925926778 1025615077 /nfs/dbraw/zinc/61/50/77/1025615077.db2.gz RZUCQMKXYUBKQU-MRXNPFEDSA-N 1 1 309.800 3.873 20 30 DHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(C#N)cc3)c2C1 ZINC000066515029 1025623096 /nfs/dbraw/zinc/62/30/96/1025623096.db2.gz CGGAYMNIHHQPDG-UHFFFAOYSA-N 1 1 305.381 3.536 20 30 DHEDMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(C#N)cc3)c2C1 ZINC000066515029 1025623098 /nfs/dbraw/zinc/62/30/98/1025623098.db2.gz CGGAYMNIHHQPDG-UHFFFAOYSA-N 1 1 305.381 3.536 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000129794562 1025631748 /nfs/dbraw/zinc/63/17/48/1025631748.db2.gz CFKNJQNKWYOTSN-QGZVFWFLSA-N 1 1 310.441 3.893 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000130054705 1025636950 /nfs/dbraw/zinc/63/69/50/1025636950.db2.gz NMTJZTWLVDSWGR-HXUWFJFHSA-N 1 1 310.441 3.719 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCCC[C@@H](SC)C2)cc1OC ZINC000355214339 1025639915 /nfs/dbraw/zinc/63/99/15/1025639915.db2.gz AADINZIOEKODEB-MRXNPFEDSA-N 1 1 321.486 3.978 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000355263345 1025658198 /nfs/dbraw/zinc/65/81/98/1025658198.db2.gz HCKJVKACLRPFTP-GOSISDBHSA-N 1 1 322.452 3.722 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000355263345 1025658204 /nfs/dbraw/zinc/65/82/04/1025658204.db2.gz HCKJVKACLRPFTP-GOSISDBHSA-N 1 1 322.452 3.722 20 30 DHEDMO C#CC[N@H+](C)C1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001170491490 1025705141 /nfs/dbraw/zinc/70/51/41/1025705141.db2.gz JYYQNGOIOPQSQS-HUUCEWRRSA-N 1 1 308.466 3.508 20 30 DHEDMO Cc1ccccc1NC(=O)CC[N@H+](CCC#N)CCC(C)C ZINC000072691089 1025762599 /nfs/dbraw/zinc/76/25/99/1025762599.db2.gz ZMHSNGCZDWEVGQ-UHFFFAOYSA-N 1 1 301.434 3.585 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@H]2CN2CCCC2)cc1 ZINC000614166318 1025788112 /nfs/dbraw/zinc/78/81/12/1025788112.db2.gz BFEFMNFZHAPRFK-IBGZPJMESA-N 1 1 311.473 3.548 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]2CN2CCCC2)cc1 ZINC000614166318 1025788126 /nfs/dbraw/zinc/78/81/26/1025788126.db2.gz BFEFMNFZHAPRFK-IBGZPJMESA-N 1 1 311.473 3.548 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000614167227 1025790321 /nfs/dbraw/zinc/79/03/21/1025790321.db2.gz AEKFIENLEWZZTI-LJQANCHMSA-N 1 1 311.473 3.548 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000614167227 1025790340 /nfs/dbraw/zinc/79/03/40/1025790340.db2.gz AEKFIENLEWZZTI-LJQANCHMSA-N 1 1 311.473 3.548 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000614176078 1025808902 /nfs/dbraw/zinc/80/89/02/1025808902.db2.gz AKKGZBQXRUHINO-MSOLQXFVSA-N 1 1 312.457 3.736 20 30 DHEDMO C=CCCCN(CC)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000894105523 1025843475 /nfs/dbraw/zinc/84/34/75/1025843475.db2.gz CHBAPYULOBMUSK-DLBZAZTESA-N 1 1 321.509 3.637 20 30 DHEDMO CC(C)(C)n1cc(C[NH2+]CCC#N)c(-c2ccccc2Cl)n1 ZINC000425962800 1025852219 /nfs/dbraw/zinc/85/22/19/1025852219.db2.gz ZUBJOVBSFWGSES-UHFFFAOYSA-N 1 1 316.836 3.962 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000411165042 1025861611 /nfs/dbraw/zinc/86/16/11/1025861611.db2.gz NPYDOTZVCNFAGF-HUUCEWRRSA-N 1 1 312.413 3.673 20 30 DHEDMO C=CCCC[N@H+](C)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000076736962 1025878978 /nfs/dbraw/zinc/87/89/78/1025878978.db2.gz ITZYNCBVISTWFV-UHFFFAOYSA-N 1 1 318.442 3.922 20 30 DHEDMO C=CCCC[N@H+](C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000076736373 1025879887 /nfs/dbraw/zinc/87/98/87/1025879887.db2.gz GECXGTSYDFWDEJ-UHFFFAOYSA-N 1 1 312.413 3.608 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cccc(C#N)c1 ZINC000353751104 1025887399 /nfs/dbraw/zinc/88/73/99/1025887399.db2.gz ISNWXMGQDIMEEN-SFHVURJKSA-N 1 1 319.452 3.655 20 30 DHEDMO CC[C@@H](C)Oc1cc(C[N@@H+](CC)C[C@@H](C)C#N)ccc1OC ZINC000120480054 1025931004 /nfs/dbraw/zinc/93/10/04/1025931004.db2.gz CUVHTVWPBHRBJL-LSDHHAIUSA-N 1 1 304.434 3.854 20 30 DHEDMO CC[C@@H](C)Oc1cc(C[N@H+](CC)C[C@@H](C)C#N)ccc1OC ZINC000120480054 1025930990 /nfs/dbraw/zinc/93/09/90/1025930990.db2.gz CUVHTVWPBHRBJL-LSDHHAIUSA-N 1 1 304.434 3.854 20 30 DHEDMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000411306098 1025937390 /nfs/dbraw/zinc/93/73/90/1025937390.db2.gz LCALYAKKHGTKCA-MSOLQXFVSA-N 1 1 319.493 3.572 20 30 DHEDMO CC(C)OCCC[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356107331 1025949301 /nfs/dbraw/zinc/94/93/01/1025949301.db2.gz CRJAHQKHVRKYNW-UHFFFAOYSA-N 1 1 314.351 3.824 20 30 DHEDMO N#Cc1csc(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000356205631 1025984676 /nfs/dbraw/zinc/98/46/76/1025984676.db2.gz ACPWEVUTXNTSNU-LBPRGKRZSA-N 1 1 303.818 3.658 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000356205631 1025984688 /nfs/dbraw/zinc/98/46/88/1025984688.db2.gz ACPWEVUTXNTSNU-LBPRGKRZSA-N 1 1 303.818 3.658 20 30 DHEDMO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCCO1 ZINC000356292914 1026009237 /nfs/dbraw/zinc/00/92/37/1026009237.db2.gz DXBODIHNZYKXGI-AWEZNQCLSA-N 1 1 312.335 3.578 20 30 DHEDMO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCCO1 ZINC000356292914 1026009261 /nfs/dbraw/zinc/00/92/61/1026009261.db2.gz DXBODIHNZYKXGI-AWEZNQCLSA-N 1 1 312.335 3.578 20 30 DHEDMO C[C@H](c1ccco1)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000086234970 1026020067 /nfs/dbraw/zinc/02/00/67/1026020067.db2.gz LXGPURWJHQWKJG-CQSZACIVSA-N 1 1 323.396 3.705 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2[nH]cnc2c1 ZINC000536637821 1026027247 /nfs/dbraw/zinc/02/72/47/1026027247.db2.gz SJYIPGOVVXUSDA-UHFFFAOYSA-N 1 1 304.397 3.845 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2nc[nH]c2c1 ZINC000536637821 1026027266 /nfs/dbraw/zinc/02/72/66/1026027266.db2.gz SJYIPGOVVXUSDA-UHFFFAOYSA-N 1 1 304.397 3.845 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2nc[nH]c2c1 ZINC000536637821 1026027285 /nfs/dbraw/zinc/02/72/85/1026027285.db2.gz SJYIPGOVVXUSDA-UHFFFAOYSA-N 1 1 304.397 3.845 20 30 DHEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356399764 1026037506 /nfs/dbraw/zinc/03/75/06/1026037506.db2.gz TUTIYYFNCKAMGZ-HNNXBMFYSA-N 1 1 312.335 3.578 20 30 DHEDMO C[C@@H]1CCSCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356395644 1026037845 /nfs/dbraw/zinc/03/78/45/1026037845.db2.gz NGYDWBPYZCNGIP-LLVKDONJSA-N 1 1 314.376 3.904 20 30 DHEDMO C=CCCC1(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000356386931 1026038361 /nfs/dbraw/zinc/03/83/61/1026038361.db2.gz WSDOJUGHVOBWES-WMZOPIPTSA-N 1 1 312.457 3.512 20 30 DHEDMO C[C@H]1CCSCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356395648 1026039452 /nfs/dbraw/zinc/03/94/52/1026039452.db2.gz NGYDWBPYZCNGIP-NSHDSACASA-N 1 1 314.376 3.904 20 30 DHEDMO C[N@H+](Cc1ccncc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356417304 1026043231 /nfs/dbraw/zinc/04/32/31/1026043231.db2.gz QRDLRCLVPSCMBP-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1ccncc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356417304 1026043247 /nfs/dbraw/zinc/04/32/47/1026043247.db2.gz QRDLRCLVPSCMBP-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000356532314 1026075122 /nfs/dbraw/zinc/07/51/22/1026075122.db2.gz UCNWPLWFQCUMJT-MRXNPFEDSA-N 1 1 317.820 3.548 20 30 DHEDMO C=CCCCCCCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000807591919 1026095702 /nfs/dbraw/zinc/09/57/02/1026095702.db2.gz JRFQWUFOVZEWCI-MSOLQXFVSA-N 1 1 321.509 3.781 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](COC)C2)ccc1OC ZINC000093338166 1026115233 /nfs/dbraw/zinc/11/52/33/1026115233.db2.gz CDBIGQWUOAQNOI-KRWDZBQOSA-N 1 1 319.445 3.509 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1Br)C[C@H]1CC1(C)C ZINC001137639195 1026122079 /nfs/dbraw/zinc/12/20/79/1026122079.db2.gz RAQASRSDWODJFP-CYBMUJFWSA-N 1 1 307.235 3.799 20 30 DHEDMO COCC[N@@H+](CCc1ccc(C)cc1)Cc1ccc(C#N)cc1 ZINC000532944426 1026145295 /nfs/dbraw/zinc/14/52/95/1026145295.db2.gz KUPSAFBXZHXXAA-UHFFFAOYSA-N 1 1 308.425 3.558 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000245736957 1026186873 /nfs/dbraw/zinc/18/68/73/1026186873.db2.gz FTIGQKAUCGKFSE-HUUCEWRRSA-N 1 1 306.475 3.966 20 30 DHEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245758081 1026200574 /nfs/dbraw/zinc/20/05/74/1026200574.db2.gz YTQJKSOVXZXPEP-SUMWQHHRSA-N 1 1 324.827 3.554 20 30 DHEDMO N#Cc1csc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000120551603 1026230145 /nfs/dbraw/zinc/23/01/45/1026230145.db2.gz AGFYOKPKJMZHPL-AWEZNQCLSA-N 1 1 318.467 3.862 20 30 DHEDMO N#Cc1csc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000120551603 1026230159 /nfs/dbraw/zinc/23/01/59/1026230159.db2.gz AGFYOKPKJMZHPL-AWEZNQCLSA-N 1 1 318.467 3.862 20 30 DHEDMO CC(C)Oc1cccc(C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000120550893 1026230966 /nfs/dbraw/zinc/23/09/66/1026230966.db2.gz ZMSOTQLUAXMUSB-FQEVSTJZSA-N 1 1 324.424 3.511 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000614400919 1026297418 /nfs/dbraw/zinc/29/74/18/1026297418.db2.gz OXISPRJJRVCAQH-OTWHNJEPSA-N 1 1 312.457 3.892 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000614407739 1026304318 /nfs/dbraw/zinc/30/43/18/1026304318.db2.gz YJSPYCSTHDRZKL-GOSISDBHSA-N 1 1 306.409 3.768 20 30 DHEDMO C[C@@H]1[C@H](C)C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H]1C ZINC000419391701 1026348971 /nfs/dbraw/zinc/34/89/71/1026348971.db2.gz KCDXQGBJABBCHQ-OAGGEKHMSA-N 1 1 323.440 3.714 20 30 DHEDMO CCOc1ccccc1C[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000120667281 1026455834 /nfs/dbraw/zinc/45/58/34/1026455834.db2.gz LFPVCBKAENNVDD-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO CCOc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000120667281 1026455841 /nfs/dbraw/zinc/45/58/41/1026455841.db2.gz LFPVCBKAENNVDD-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000809581238 1026554180 /nfs/dbraw/zinc/55/41/80/1026554180.db2.gz VSXSIVUQGIQZIR-UHFFFAOYSA-N 1 1 321.264 3.985 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000809581238 1026554182 /nfs/dbraw/zinc/55/41/82/1026554182.db2.gz VSXSIVUQGIQZIR-UHFFFAOYSA-N 1 1 321.264 3.985 20 30 DHEDMO C#Cc1ccc(C[N@H+](C)Cc2ccc(Br)o2)cc1 ZINC000809546487 1026554572 /nfs/dbraw/zinc/55/45/72/1026554572.db2.gz TVMDFTYNAUHQLJ-UHFFFAOYSA-N 1 1 304.187 3.655 20 30 DHEDMO C#Cc1ccc(C[N@@H+](C)Cc2ccc(Br)o2)cc1 ZINC000809546487 1026554578 /nfs/dbraw/zinc/55/45/78/1026554578.db2.gz TVMDFTYNAUHQLJ-UHFFFAOYSA-N 1 1 304.187 3.655 20 30 DHEDMO C#Cc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1 ZINC000809580124 1026555206 /nfs/dbraw/zinc/55/52/06/1026555206.db2.gz FSMYNEAXDHCOOK-QRWLVFNGSA-N 1 1 309.384 3.769 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1 ZINC000809580124 1026555213 /nfs/dbraw/zinc/55/52/13/1026555213.db2.gz FSMYNEAXDHCOOK-QRWLVFNGSA-N 1 1 309.384 3.769 20 30 DHEDMO C#Cc1ccc(C[NH2+][C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000809602666 1026574023 /nfs/dbraw/zinc/57/40/23/1026574023.db2.gz VBRGLBXILVQYBK-NRFANRHFSA-N 1 1 304.437 3.595 20 30 DHEDMO C#Cc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000809624081 1026575820 /nfs/dbraw/zinc/57/58/20/1026575820.db2.gz GEWQIDCPKSKEDS-XMSQKQJNSA-N 1 1 318.464 3.668 20 30 DHEDMO C=CCOc1ccccc1CN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739010 1026610709 /nfs/dbraw/zinc/61/07/09/1026610709.db2.gz TVELFPKREZFUAJ-UHFFFAOYSA-N 1 1 324.468 3.945 20 30 DHEDMO C#C[C@H]([NH2+]Cc1csc(-c2ccc(OC)cc2)n1)C(C)(C)C ZINC000809782325 1026623670 /nfs/dbraw/zinc/62/36/70/1026623670.db2.gz PCUZPOOGCMGHDY-INIZCTEOSA-N 1 1 314.454 3.956 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@@](C)(OC)CC2)cc(OC)c1O ZINC000280366998 1026638576 /nfs/dbraw/zinc/63/85/76/1026638576.db2.gz UYNARZNNWSXSJP-LJQANCHMSA-N 1 1 319.445 3.520 20 30 DHEDMO C=CC[N@H+](C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000809970412 1026647260 /nfs/dbraw/zinc/64/72/60/1026647260.db2.gz YEQQOUGKJRUJIZ-WKILWMFISA-N 1 1 322.493 3.968 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 ZINC000810048512 1026668606 /nfs/dbraw/zinc/66/86/06/1026668606.db2.gz ICPZLPQIZPAPMI-GOEBONIOSA-N 1 1 324.262 3.771 20 30 DHEDMO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(OC(F)F)cc1 ZINC000810148097 1026692865 /nfs/dbraw/zinc/69/28/65/1026692865.db2.gz DPBCMKWNUACEAB-CYBMUJFWSA-N 1 1 323.368 3.857 20 30 DHEDMO C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000183194762 1026705231 /nfs/dbraw/zinc/70/52/31/1026705231.db2.gz MJHMJZXQVUUCMM-GPMSIDNRSA-N 1 1 311.473 3.862 20 30 DHEDMO C[C@@H](N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000183194762 1026705242 /nfs/dbraw/zinc/70/52/42/1026705242.db2.gz MJHMJZXQVUUCMM-GPMSIDNRSA-N 1 1 311.473 3.862 20 30 DHEDMO C[C@@H](N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000183194762 1026705256 /nfs/dbraw/zinc/70/52/56/1026705256.db2.gz MJHMJZXQVUUCMM-GPMSIDNRSA-N 1 1 311.473 3.862 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000420940580 1026885559 /nfs/dbraw/zinc/88/55/59/1026885559.db2.gz DRDAUGNAHDAZKL-CQSZACIVSA-N 1 1 312.335 3.601 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c(F)c1 ZINC000420945417 1026888493 /nfs/dbraw/zinc/88/84/93/1026888493.db2.gz KRDUPTDLCPYWHU-LBPRGKRZSA-N 1 1 300.299 3.862 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c(F)c1 ZINC000420945417 1026888497 /nfs/dbraw/zinc/88/84/97/1026888497.db2.gz KRDUPTDLCPYWHU-LBPRGKRZSA-N 1 1 300.299 3.862 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000414484154 1026903332 /nfs/dbraw/zinc/90/33/32/1026903332.db2.gz JEEABPUJGWAEQI-AZUAARDMSA-N 1 1 309.409 3.559 20 30 DHEDMO CC1=C[C@H](C)C[C@H](C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000811468421 1027007445 /nfs/dbraw/zinc/00/74/45/1027007445.db2.gz PVOMCKWGCNUGFJ-ZAAXVRCTSA-N 1 1 310.441 3.924 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1cnc2ccc(C)cn12)c1ccc(Cl)cc1 ZINC000811517329 1027018610 /nfs/dbraw/zinc/01/86/10/1027018610.db2.gz OMFZJANNAQBOKA-QGZVFWFLSA-N 1 1 309.800 3.760 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(N(C)CC)nc1)c1ccc(Cl)cc1 ZINC000811517096 1027018746 /nfs/dbraw/zinc/01/87/46/1027018746.db2.gz HXYWEDAFZRVRBH-KRWDZBQOSA-N 1 1 313.832 3.655 20 30 DHEDMO C=CC[NH+]1CCC(N[C@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421839362 1027073288 /nfs/dbraw/zinc/07/32/88/1027073288.db2.gz XBMHCIMFKDMYIL-IBGZPJMESA-N 1 1 318.436 3.525 20 30 DHEDMO C#CCCCCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931388004 1027107194 /nfs/dbraw/zinc/10/71/94/1027107194.db2.gz OAUJLBRINQQOCV-LJQANCHMSA-N 1 1 311.404 3.690 20 30 DHEDMO C#CCCCCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931388004 1027107201 /nfs/dbraw/zinc/10/72/01/1027107201.db2.gz OAUJLBRINQQOCV-LJQANCHMSA-N 1 1 311.404 3.690 20 30 DHEDMO COCC[N@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CC=CCC1 ZINC000362244063 1027110528 /nfs/dbraw/zinc/11/05/28/1027110528.db2.gz IRJIVLHRMJICIR-OAHLLOKOSA-N 1 1 302.393 3.502 20 30 DHEDMO COCC[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CC=CCC1 ZINC000362248248 1027113265 /nfs/dbraw/zinc/11/32/65/1027113265.db2.gz GBBQBJMNTKJNAC-OAHLLOKOSA-N 1 1 302.393 3.502 20 30 DHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)CCOc2ccccc2C#N)C1 ZINC000362384742 1027175775 /nfs/dbraw/zinc/17/57/75/1027175775.db2.gz KSDILCKLWPTRER-HOTGVXAUSA-N 1 1 304.459 3.543 20 30 DHEDMO O[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000747788621 1027251321 /nfs/dbraw/zinc/25/13/21/1027251321.db2.gz XRGGXZOUMQKKBN-LEWJYISDSA-N 1 1 323.411 3.765 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCc3nc[nH]c3[C@H]2c2ccccc2)CC1 ZINC000931796126 1027257868 /nfs/dbraw/zinc/25/78/68/1027257868.db2.gz CJIYLOHHNDTFKK-ALLBUHFWSA-N 1 1 320.440 3.687 20 30 DHEDMO C=CCCCCCCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000812493382 1027301075 /nfs/dbraw/zinc/30/10/75/1027301075.db2.gz HVHMNUAEJDKMJS-QZTJIDSGSA-N 1 1 321.509 3.639 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c(F)c1 ZINC000931918489 1027303910 /nfs/dbraw/zinc/30/39/10/1027303910.db2.gz OZTNECLHWQMHIH-CYBMUJFWSA-N 1 1 316.273 3.564 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c(F)c1 ZINC000931918489 1027303924 /nfs/dbraw/zinc/30/39/24/1027303924.db2.gz OZTNECLHWQMHIH-CYBMUJFWSA-N 1 1 316.273 3.564 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)c1 ZINC000932204111 1027412769 /nfs/dbraw/zinc/41/27/69/1027412769.db2.gz UTIXQUMQZAWSEW-AWEZNQCLSA-N 1 1 315.417 3.609 20 30 DHEDMO C#C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccc(F)cc1 ZINC000812794329 1027422870 /nfs/dbraw/zinc/42/28/70/1027422870.db2.gz YUGUUDJGHYPSSX-INIZCTEOSA-N 1 1 305.299 3.891 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(C)cc1 ZINC000562426318 1027428041 /nfs/dbraw/zinc/42/80/41/1027428041.db2.gz RDSUTTRAASCTDF-UHFFFAOYSA-N 1 1 321.424 3.717 20 30 DHEDMO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932248589 1027431613 /nfs/dbraw/zinc/43/16/13/1027431613.db2.gz IHQADYLTLMQGGF-AWEZNQCLSA-N 1 1 322.250 3.921 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932248589 1027431632 /nfs/dbraw/zinc/43/16/32/1027431632.db2.gz IHQADYLTLMQGGF-AWEZNQCLSA-N 1 1 322.250 3.921 20 30 DHEDMO Cc1cc(Nc2cccnc2C#N)c[nH+]c1N1CCCC[C@@H]1C ZINC000574851236 1027433618 /nfs/dbraw/zinc/43/36/18/1027433618.db2.gz YIUKAUKCHHVXDB-AWEZNQCLSA-N 1 1 307.401 3.779 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812847423 1027443600 /nfs/dbraw/zinc/44/36/00/1027443600.db2.gz DBBWHUUMZHIVOW-YWZLYKJASA-N 1 1 324.424 3.511 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1CCCCOc1c(OC)cccc1OC ZINC000575090102 1027451854 /nfs/dbraw/zinc/45/18/54/1027451854.db2.gz LJRUGSWENGLSQL-MRXNPFEDSA-N 1 1 319.445 3.903 20 30 DHEDMO C=CCCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000363196694 1027555323 /nfs/dbraw/zinc/55/53/23/1027555323.db2.gz UICSJGMVDSGPCI-OALUTQOASA-N 1 1 312.457 3.608 20 30 DHEDMO CC[N@@H+](Cc1cccc(Br)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000576125294 1027567731 /nfs/dbraw/zinc/56/77/31/1027567731.db2.gz DZARCIWEDMFQTQ-IUODEOHRSA-N 1 1 307.235 3.963 20 30 DHEDMO C[N@H+]1CC[C@H](CNc2ccc(F)cc2C#N)[C@H]1c1cccs1 ZINC000363262597 1027576542 /nfs/dbraw/zinc/57/65/42/1027576542.db2.gz FXYUJGCPPKXSJV-PXAZEXFGSA-N 1 1 315.417 3.864 20 30 DHEDMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000932686479 1027583387 /nfs/dbraw/zinc/58/33/87/1027583387.db2.gz IDMPYNDNZFKQIU-DAYGRLMNSA-N 1 1 306.450 3.513 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+](C)[C@@H]2CCC(C)(C)C2)c(C#N)c1C ZINC000361468456 1027592481 /nfs/dbraw/zinc/59/24/81/1027592481.db2.gz GPHXHRVRCCVECU-CYBMUJFWSA-N 1 1 319.474 3.686 20 30 DHEDMO Cc1cccc(NC[C@H]2CCC[N@H+]2CCCC(C)(C)C#N)n1 ZINC000363353701 1027606734 /nfs/dbraw/zinc/60/67/34/1027606734.db2.gz VFTZRXRWXAWENQ-MRXNPFEDSA-N 1 1 300.450 3.596 20 30 DHEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCCC1CCCC1 ZINC001275830538 1027613806 /nfs/dbraw/zinc/61/38/06/1027613806.db2.gz PBPZXTXTEJSUTQ-LJQANCHMSA-N 1 1 304.478 3.600 20 30 DHEDMO C=C(Cl)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000813370969 1027622721 /nfs/dbraw/zinc/62/27/21/1027622721.db2.gz MKULWERXCROMAL-UHFFFAOYSA-N 1 1 304.865 3.727 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706341 1027633442 /nfs/dbraw/zinc/63/34/42/1027633442.db2.gz BUSKQXAZZPAFIU-KSYCFECVSA-N 1 1 302.368 3.589 20 30 DHEDMO CC(C)[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H](C)c1ccccc1 ZINC000576875030 1027673512 /nfs/dbraw/zinc/67/35/12/1027673512.db2.gz HERSCKDYLASEAT-HNNXBMFYSA-N 1 1 319.412 3.573 20 30 DHEDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC000933127885 1027683404 /nfs/dbraw/zinc/68/34/04/1027683404.db2.gz MIXJYXKWHRNEAX-CQSZACIVSA-N 1 1 315.417 3.527 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(CC(F)(F)F)CC2)cc1F ZINC000577130472 1027710831 /nfs/dbraw/zinc/71/08/31/1027710831.db2.gz WEXWARYRADCGGF-UHFFFAOYSA-N 1 1 300.299 3.862 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+]2C[C@H]2CCC(C)=C[C@@H]2C)C1=O ZINC001275854691 1027734060 /nfs/dbraw/zinc/73/40/60/1027734060.db2.gz QLGOVQYVLVZFEQ-NLWGTHIKSA-N 1 1 316.489 3.622 20 30 DHEDMO N#Cc1ccc(F)c(C[NH2+][C@H]2CCc3c2c(F)ccc3F)c1 ZINC000752789622 1027739172 /nfs/dbraw/zinc/73/91/72/1027739172.db2.gz NMFLHNJSEDUHLV-INIZCTEOSA-N 1 1 302.299 3.753 20 30 DHEDMO C[N@@H+](CCCCOc1ccccc1)Cc1cc(C#N)ccc1F ZINC000159173204 1027746891 /nfs/dbraw/zinc/74/68/91/1027746891.db2.gz YJEJTPUVDYURBR-UHFFFAOYSA-N 1 1 312.388 3.988 20 30 DHEDMO CC(C)(C)[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000448356254 1027751641 /nfs/dbraw/zinc/75/16/41/1027751641.db2.gz RXDKLEGZURLUDN-SFHVURJKSA-N 1 1 316.445 3.616 20 30 DHEDMO CC(C)(C)[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000448356254 1027751660 /nfs/dbraw/zinc/75/16/60/1027751660.db2.gz RXDKLEGZURLUDN-SFHVURJKSA-N 1 1 316.445 3.616 20 30 DHEDMO C=CCOc1ccc(C[N@H+](CCOC)[C@@H]2CCCSC2)cc1 ZINC000448370094 1027768959 /nfs/dbraw/zinc/76/89/59/1027768959.db2.gz FMBJFVDVFNEWBG-QGZVFWFLSA-N 1 1 321.486 3.595 20 30 DHEDMO Cc1nnc([C@H](C)[NH+]2CCC(c3ccc(C#N)cc3)CC2)s1 ZINC000933612880 1027772431 /nfs/dbraw/zinc/77/24/31/1027772431.db2.gz SKXOJXFQOUSOEI-LBPRGKRZSA-N 1 1 312.442 3.659 20 30 DHEDMO CC[C@H](CC(F)F)C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933631416 1027779705 /nfs/dbraw/zinc/77/97/05/1027779705.db2.gz JONKUTJJFLRIHH-CJNGLKHVSA-N 1 1 308.372 3.613 20 30 DHEDMO CC[C@H](CC(F)F)C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933631416 1027779720 /nfs/dbraw/zinc/77/97/20/1027779720.db2.gz JONKUTJJFLRIHH-CJNGLKHVSA-N 1 1 308.372 3.613 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3CF)CCO2)cc1 ZINC000933632422 1027782255 /nfs/dbraw/zinc/78/22/55/1027782255.db2.gz RZASSLODVGPTIF-IBGZPJMESA-N 1 1 310.372 3.601 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3CF)CCO2)cc1 ZINC000933632422 1027782259 /nfs/dbraw/zinc/78/22/59/1027782259.db2.gz RZASSLODVGPTIF-IBGZPJMESA-N 1 1 310.372 3.601 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2CC[C@H](C)CC(C)(C)C)C1=O ZINC001275881761 1027801577 /nfs/dbraw/zinc/80/15/77/1027801577.db2.gz XPVFNSZOPHXENW-LPHOPBHVSA-N 1 1 306.494 3.702 20 30 DHEDMO CCCCCCCOc1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000814171512 1027908101 /nfs/dbraw/zinc/90/81/01/1027908101.db2.gz NMVKOZSCZALROJ-PMOLBWCYSA-N 1 1 317.473 3.706 20 30 DHEDMO CCCCCCCOc1cccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000814172609 1027909734 /nfs/dbraw/zinc/90/97/34/1027909734.db2.gz VRJGDAHRXMPZEL-PMOLBWCYSA-N 1 1 317.473 3.706 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000365598212 1027980176 /nfs/dbraw/zinc/98/01/76/1027980176.db2.gz KQAATSIBIZYPBE-SJLPKXTDSA-N 1 1 303.494 3.655 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000365598212 1027980191 /nfs/dbraw/zinc/98/01/91/1027980191.db2.gz KQAATSIBIZYPBE-SJLPKXTDSA-N 1 1 303.494 3.655 20 30 DHEDMO CC(C)(C#N)CCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000365598212 1027980204 /nfs/dbraw/zinc/98/02/04/1027980204.db2.gz KQAATSIBIZYPBE-SJLPKXTDSA-N 1 1 303.494 3.655 20 30 DHEDMO CC(C)(C#N)CCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000365598212 1027980216 /nfs/dbraw/zinc/98/02/16/1027980216.db2.gz KQAATSIBIZYPBE-SJLPKXTDSA-N 1 1 303.494 3.655 20 30 DHEDMO C[C@@H](NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000527953354 1027986299 /nfs/dbraw/zinc/98/62/99/1027986299.db2.gz WNWWZPWCPVBUOR-RDTXWAMCSA-N 1 1 315.436 3.755 20 30 DHEDMO C[C@@H](NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000527953354 1027986319 /nfs/dbraw/zinc/98/63/19/1027986319.db2.gz WNWWZPWCPVBUOR-RDTXWAMCSA-N 1 1 315.436 3.755 20 30 DHEDMO C[C@H](NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(C#N)cc1F ZINC000527952004 1027986997 /nfs/dbraw/zinc/98/69/97/1027986997.db2.gz SGRIYDLNHVYTDT-YOEHRIQHSA-N 1 1 315.436 3.755 20 30 DHEDMO C[C@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1ccc(C#N)cc1F ZINC000527952004 1027987001 /nfs/dbraw/zinc/98/70/01/1027987001.db2.gz SGRIYDLNHVYTDT-YOEHRIQHSA-N 1 1 315.436 3.755 20 30 DHEDMO COC(=O)c1cccc(C[N@H+](C)Cc2cc(C)ccc2C)c1C#N ZINC000578074690 1028038276 /nfs/dbraw/zinc/03/82/76/1028038276.db2.gz WFMLDIPCMCWHDJ-UHFFFAOYSA-N 1 1 322.408 3.594 20 30 DHEDMO COC(=O)c1cccc(C[N@@H+](C)Cc2cc(C)ccc2C)c1C#N ZINC000578074690 1028038286 /nfs/dbraw/zinc/03/82/86/1028038286.db2.gz WFMLDIPCMCWHDJ-UHFFFAOYSA-N 1 1 322.408 3.594 20 30 DHEDMO C[C@@H]1c2ccc(Cl)n2CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000366306116 1028075154 /nfs/dbraw/zinc/07/51/54/1028075154.db2.gz CFJGXHDZYGSUMH-CQSZACIVSA-N 1 1 321.852 3.619 20 30 DHEDMO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000366306116 1028075164 /nfs/dbraw/zinc/07/51/64/1028075164.db2.gz CFJGXHDZYGSUMH-CQSZACIVSA-N 1 1 321.852 3.619 20 30 DHEDMO CC[N@H+](Cc1ccccc1Br)[C@@H]1CC[C@@H](C#N)C1 ZINC000563497522 1028081961 /nfs/dbraw/zinc/08/19/61/1028081961.db2.gz CTUSFFOUCPTFDL-TZMCWYRMSA-N 1 1 307.235 3.963 20 30 DHEDMO CC[N@@H+](Cc1ccccc1Br)[C@@H]1CC[C@@H](C#N)C1 ZINC000563497522 1028081979 /nfs/dbraw/zinc/08/19/79/1028081979.db2.gz CTUSFFOUCPTFDL-TZMCWYRMSA-N 1 1 307.235 3.963 20 30 DHEDMO CC[N@H+](Cc1ccccc1Br)[C@H]1CC[C@@H](C#N)C1 ZINC000563497521 1028082706 /nfs/dbraw/zinc/08/27/06/1028082706.db2.gz CTUSFFOUCPTFDL-OCCSQVGLSA-N 1 1 307.235 3.963 20 30 DHEDMO CC[N@@H+](Cc1ccccc1Br)[C@H]1CC[C@@H](C#N)C1 ZINC000563497521 1028082725 /nfs/dbraw/zinc/08/27/25/1028082725.db2.gz CTUSFFOUCPTFDL-OCCSQVGLSA-N 1 1 307.235 3.963 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000934876319 1028136876 /nfs/dbraw/zinc/13/68/76/1028136876.db2.gz MVYVFNUSVQRWMI-YJBOKZPZSA-N 1 1 315.461 3.914 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000934877122 1028137182 /nfs/dbraw/zinc/13/71/82/1028137182.db2.gz RRVDPNNECMNRPJ-AEFFLSMTSA-N 1 1 313.445 3.668 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000814642832 1028144392 /nfs/dbraw/zinc/14/43/92/1028144392.db2.gz SNPRHCCJSGCKKZ-LJQANCHMSA-N 1 1 306.409 3.969 20 30 DHEDMO CCCCCC[C@@H](C)NN=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000814859275 1028247861 /nfs/dbraw/zinc/24/78/61/1028247861.db2.gz QZXMKLRDDXIOHV-NXHRZFHOSA-N 1 1 309.498 3.564 20 30 DHEDMO C=CCOCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000815060468 1028343497 /nfs/dbraw/zinc/34/34/97/1028343497.db2.gz UKWFNZKUJMVIRI-RTBURBONSA-N 1 1 303.446 3.557 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(CO)ccc1F ZINC000528368582 1028366469 /nfs/dbraw/zinc/36/64/69/1028366469.db2.gz VEIZEODCEVDYJO-UHFFFAOYSA-N 1 1 312.388 3.600 20 30 DHEDMO C=C(C)CN1CCC([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449121571 1028375404 /nfs/dbraw/zinc/37/54/04/1028375404.db2.gz IAGDZPPWWXKZMR-HNNXBMFYSA-N 1 1 324.390 3.721 20 30 DHEDMO C=CC[C@H](C(=O)OCC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000778419367 1028426645 /nfs/dbraw/zinc/42/66/45/1028426645.db2.gz RVUKFTVREFOCSL-ROUUACIJSA-N 1 1 301.430 3.764 20 30 DHEDMO C=CC[C@@H](C(=O)N1CCC(n2c[nH+]cc2C)CC1)c1ccccc1 ZINC000369153916 1028452369 /nfs/dbraw/zinc/45/23/69/1028452369.db2.gz GSBCELAYOXBNKJ-LJQANCHMSA-N 1 1 323.440 3.715 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000369318316 1028470609 /nfs/dbraw/zinc/47/06/09/1028470609.db2.gz BEKUJCOJDGGVKE-SFHVURJKSA-N 1 1 311.429 3.652 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000369318316 1028470615 /nfs/dbraw/zinc/47/06/15/1028470615.db2.gz BEKUJCOJDGGVKE-SFHVURJKSA-N 1 1 311.429 3.652 20 30 DHEDMO CC[C@H](c1ccccc1O)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000369509532 1028496062 /nfs/dbraw/zinc/49/60/62/1028496062.db2.gz KVKPUGPUHIYHQG-QUCCMNQESA-N 1 1 322.408 3.788 20 30 DHEDMO COc1ccc(C[C@@H]2CCC[N@@H+](CCCSCC#N)C2)cc1 ZINC000369837463 1028539312 /nfs/dbraw/zinc/53/93/12/1028539312.db2.gz FFAFNMBTSJHQHO-KRWDZBQOSA-N 1 1 318.486 3.597 20 30 DHEDMO CC(C)[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000528639891 1028609145 /nfs/dbraw/zinc/60/91/45/1028609145.db2.gz MZVWQYQJDXCIHW-ZCNNSNEGSA-N 1 1 311.473 3.521 20 30 DHEDMO CC(C)[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000528639891 1028609154 /nfs/dbraw/zinc/60/91/54/1028609154.db2.gz MZVWQYQJDXCIHW-ZCNNSNEGSA-N 1 1 311.473 3.521 20 30 DHEDMO CC(C)[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000528639891 1028609159 /nfs/dbraw/zinc/60/91/59/1028609159.db2.gz MZVWQYQJDXCIHW-ZCNNSNEGSA-N 1 1 311.473 3.521 20 30 DHEDMO C[C@@H]1C[C@@H](c2cccs2)C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000370566784 1028617241 /nfs/dbraw/zinc/61/72/41/1028617241.db2.gz ZFXPBJXQFSKPGY-KBRIMQKVSA-N 1 1 312.438 3.531 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000449454608 1028658818 /nfs/dbraw/zinc/65/88/18/1028658818.db2.gz PELPZFQBBSTOPK-XUVXKRRUSA-N 1 1 315.457 3.767 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449503619 1028726207 /nfs/dbraw/zinc/72/62/07/1028726207.db2.gz ULFNUXHNLSGYAV-SFHVURJKSA-N 1 1 321.380 3.846 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1F)Cc1ccccc1N1CCCC1 ZINC000011193178 1028732370 /nfs/dbraw/zinc/73/23/70/1028732370.db2.gz HEQFRUNNQGYQBH-UHFFFAOYSA-N 1 1 323.415 3.930 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1F)Cc1ccccc1N1CCCC1 ZINC000011193178 1028732384 /nfs/dbraw/zinc/73/23/84/1028732384.db2.gz HEQFRUNNQGYQBH-UHFFFAOYSA-N 1 1 323.415 3.930 20 30 DHEDMO C=CCC(CC=C)C(=O)N1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000371927955 1028780845 /nfs/dbraw/zinc/78/08/45/1028780845.db2.gz SYBHNWOMPRTKAI-UHFFFAOYSA-N 1 1 313.445 3.561 20 30 DHEDMO Cc1cc2ccc(Cl)cc2nc1N=NC1CC[N@H+]2CCC[C@H]12 ZINC000778552663 1028781701 /nfs/dbraw/zinc/78/17/01/1028781701.db2.gz WJDVAFGKRVPTFL-MRXNPFEDSA-N 1 1 314.820 3.833 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc1Cl ZINC000449572083 1028813324 /nfs/dbraw/zinc/81/33/24/1028813324.db2.gz MRRIYWFQFBRGRM-DOMZBBRYSA-N 1 1 317.820 3.897 20 30 DHEDMO CCC(C#N)(CC)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000528800253 1028824087 /nfs/dbraw/zinc/82/40/87/1028824087.db2.gz OFFBRWVUUJCDSO-CQSZACIVSA-N 1 1 324.428 3.688 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)s1 ZINC000449581626 1028824692 /nfs/dbraw/zinc/82/46/92/1028824692.db2.gz BERDTCKUMJFQEO-GFCCVEGCSA-N 1 1 308.328 3.814 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC000372433837 1028852739 /nfs/dbraw/zinc/85/27/39/1028852739.db2.gz QIEZHNSRDWQNCH-CZUORRHYSA-N 1 1 313.426 3.771 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC000372433837 1028852756 /nfs/dbraw/zinc/85/27/56/1028852756.db2.gz QIEZHNSRDWQNCH-CZUORRHYSA-N 1 1 313.426 3.771 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC000372433838 1028855398 /nfs/dbraw/zinc/85/53/98/1028855398.db2.gz QIEZHNSRDWQNCH-XJKSGUPXSA-N 1 1 313.426 3.771 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC000372433838 1028855408 /nfs/dbraw/zinc/85/54/08/1028855408.db2.gz QIEZHNSRDWQNCH-XJKSGUPXSA-N 1 1 313.426 3.771 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)cc1 ZINC000372433835 1028856213 /nfs/dbraw/zinc/85/62/13/1028856213.db2.gz QIEZHNSRDWQNCH-BBRMVZONSA-N 1 1 313.426 3.771 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2nccs2)cc1 ZINC000372433835 1028856233 /nfs/dbraw/zinc/85/62/33/1028856233.db2.gz QIEZHNSRDWQNCH-BBRMVZONSA-N 1 1 313.426 3.771 20 30 DHEDMO C=CC[C@@H](C(=O)NCc1[nH+]c(C)n2c1CCCC2)c1ccccc1 ZINC000372506922 1028866573 /nfs/dbraw/zinc/86/65/73/1028866573.db2.gz XZLJBHCJEYWUEF-QGZVFWFLSA-N 1 1 323.440 3.504 20 30 DHEDMO C[C@H](C(=O)Nc1ccc(CC#N)cc1Cl)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000567469855 1028899449 /nfs/dbraw/zinc/89/94/49/1028899449.db2.gz QNDXPIFOPQYWSM-FRRDWIJNSA-N 1 1 319.836 3.606 20 30 DHEDMO C[C@H](C(=O)Nc1ccc(CC#N)cc1Cl)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000567469855 1028899470 /nfs/dbraw/zinc/89/94/70/1028899470.db2.gz QNDXPIFOPQYWSM-FRRDWIJNSA-N 1 1 319.836 3.606 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000567524813 1028910260 /nfs/dbraw/zinc/91/02/60/1028910260.db2.gz JCOLDYRGDPJDPR-IBGZPJMESA-N 1 1 310.372 3.638 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000567524813 1028910273 /nfs/dbraw/zinc/91/02/73/1028910273.db2.gz JCOLDYRGDPJDPR-IBGZPJMESA-N 1 1 310.372 3.638 20 30 DHEDMO C[N@H+]1CCCC12CCN(c1ccc(C(F)(F)F)c(C#N)c1)CC2 ZINC000372879786 1028917704 /nfs/dbraw/zinc/91/77/04/1028917704.db2.gz SJSMAOKIIMDMDQ-UHFFFAOYSA-N 1 1 323.362 3.642 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CC=C(c3cncc(F)c3)CC2)cc1 ZINC000372927770 1028922230 /nfs/dbraw/zinc/92/22/30/1028922230.db2.gz FVEMIWFTGPNRLT-UHFFFAOYSA-N 1 1 310.347 3.501 20 30 DHEDMO Fc1ccc(C#CC[N@@H+]2CC=C(c3cncc(F)c3)CC2)cc1 ZINC000372927770 1028922247 /nfs/dbraw/zinc/92/22/47/1028922247.db2.gz FVEMIWFTGPNRLT-UHFFFAOYSA-N 1 1 310.347 3.501 20 30 DHEDMO N#CCCn1cc(C(=O)C[N@H+]2CCCC23CCC3)c2ccccc21 ZINC000373102270 1028953885 /nfs/dbraw/zinc/95/38/85/1028953885.db2.gz ZYVNLGQOLGNLDN-UHFFFAOYSA-N 1 1 321.424 3.756 20 30 DHEDMO CC[N@@H+](CC(=O)N(C(C)C)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741836 1029060761 /nfs/dbraw/zinc/06/07/61/1029060761.db2.gz WDKWLDXFQFGOHF-INIZCTEOSA-N 1 1 315.461 3.587 20 30 DHEDMO COc1ccc([C@H](CO)[N@@H+](C)CCC2(C#N)CCCCC2)cc1 ZINC000411271860 1029086705 /nfs/dbraw/zinc/08/67/05/1029086705.db2.gz RPLTXPRXVBKAMG-SFHVURJKSA-N 1 1 316.445 3.525 20 30 DHEDMO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000817297889 1029118511 /nfs/dbraw/zinc/11/85/11/1029118511.db2.gz XGGDBQFVWWSPSZ-UXHICEINSA-N 1 1 320.436 3.860 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(C)sc1C ZINC001276167425 1029153596 /nfs/dbraw/zinc/15/35/96/1029153596.db2.gz VNMSYVCWEKHHOW-SFHVURJKSA-N 1 1 318.486 3.508 20 30 DHEDMO C=CCCC[C@@H](C)[N@@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000568979047 1029154850 /nfs/dbraw/zinc/15/48/50/1029154850.db2.gz KKKXDVWYDDVLAJ-OAHLLOKOSA-N 1 1 304.434 3.700 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C2CC(OC(C)(C)C)C2)cc1 ZINC000817415953 1029155778 /nfs/dbraw/zinc/15/57/78/1029155778.db2.gz BPMATLQPNISTIZ-MXWWQKGMSA-N 1 1 316.445 3.755 20 30 DHEDMO COc1ccc(Br)c(C[N@@H+](C)[C@@H](C)CCC#N)c1 ZINC000411633203 1029173764 /nfs/dbraw/zinc/17/37/64/1029173764.db2.gz SBUMSIDKEISNOE-NSHDSACASA-N 1 1 311.223 3.582 20 30 DHEDMO COc1ccc(Br)c(C[N@H+](C)[C@@H](C)CCC#N)c1 ZINC000411633203 1029173756 /nfs/dbraw/zinc/17/37/56/1029173756.db2.gz SBUMSIDKEISNOE-NSHDSACASA-N 1 1 311.223 3.582 20 30 DHEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2ccc(C#N)cn2)c1 ZINC000569235669 1029199403 /nfs/dbraw/zinc/19/94/03/1029199403.db2.gz XDWAJIRBLDEBJX-LIRRHRJNSA-N 1 1 307.397 3.545 20 30 DHEDMO C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001257565608 1029230007 /nfs/dbraw/zinc/23/00/07/1029230007.db2.gz RZYCFOZLBRCATK-JSGCOSHPSA-N 1 1 307.235 3.616 20 30 DHEDMO C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@@H](C#N)C1 ZINC001257565608 1029230020 /nfs/dbraw/zinc/23/00/20/1029230020.db2.gz RZYCFOZLBRCATK-JSGCOSHPSA-N 1 1 307.235 3.616 20 30 DHEDMO C=CC(C)(C)C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000450209537 1029261012 /nfs/dbraw/zinc/26/10/12/1029261012.db2.gz WSKFLZKDYAKBPS-FUHWJXTLSA-N 1 1 314.473 3.616 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](CCCOCC(F)(F)F)CC2)cc1 ZINC000374299387 1029280905 /nfs/dbraw/zinc/28/09/05/1029280905.db2.gz BKLYUFBASSHBLQ-UHFFFAOYSA-N 1 1 324.346 3.616 20 30 DHEDMO CCCCCCCCCC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000818004907 1029304211 /nfs/dbraw/zinc/30/42/11/1029304211.db2.gz ICEXEVFNPWCUHW-GOSISDBHSA-N 1 1 317.477 3.695 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450297996 1029332367 /nfs/dbraw/zinc/33/23/67/1029332367.db2.gz KXIORZUNGGHQMG-UWJYYQICSA-N 1 1 320.436 3.711 20 30 DHEDMO Cc1c([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cnn1C(C)C ZINC000191272340 1029341260 /nfs/dbraw/zinc/34/12/60/1029341260.db2.gz KKOSSWOBODUSGW-LBPRGKRZSA-N 1 1 300.381 3.634 20 30 DHEDMO C=CCC[N@H+](CCc1ccc(Cl)cc1Cl)CC(=O)OC ZINC000610078754 1029390432 /nfs/dbraw/zinc/39/04/32/1029390432.db2.gz CAPCWLARYPTRKV-UHFFFAOYSA-N 1 1 316.228 3.587 20 30 DHEDMO C=CCC[N@@H+](CCc1ccc(Cl)cc1Cl)CC(=O)OC ZINC000610078754 1029390444 /nfs/dbraw/zinc/39/04/44/1029390444.db2.gz CAPCWLARYPTRKV-UHFFFAOYSA-N 1 1 316.228 3.587 20 30 DHEDMO C=CCC1(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)CCCCC1 ZINC000450382515 1029435943 /nfs/dbraw/zinc/43/59/43/1029435943.db2.gz XUNVAVSGNQTOIM-UHFFFAOYSA-N 1 1 304.478 3.600 20 30 DHEDMO N#Cc1ccc(C[NH+]2CC(Cc3ccco3)C2)c(C(F)(F)F)c1 ZINC000529648422 1029483759 /nfs/dbraw/zinc/48/37/59/1029483759.db2.gz CLQKAPMKNXGCPZ-UHFFFAOYSA-N 1 1 320.314 3.845 20 30 DHEDMO COc1ccc(C[N@H+]2CCCC(C)(C)C2)cc1OCCCC#N ZINC000121147638 1029534839 /nfs/dbraw/zinc/53/48/39/1029534839.db2.gz RKIFGTJJPJWJNC-UHFFFAOYSA-N 1 1 316.445 4.000 20 30 DHEDMO CC[N@H+](CCC1CCN(CC2(C#N)CCC2)CC1)CC(C)C ZINC000450644773 1029587227 /nfs/dbraw/zinc/58/72/27/1029587227.db2.gz DSSLEKVZQNMNMV-UHFFFAOYSA-N 1 1 305.510 3.760 20 30 DHEDMO CC[N@@H+](CCC1CCN(CC2(C#N)CCC2)CC1)CC(C)C ZINC000450644773 1029587233 /nfs/dbraw/zinc/58/72/33/1029587233.db2.gz DSSLEKVZQNMNMV-UHFFFAOYSA-N 1 1 305.510 3.760 20 30 DHEDMO C[C@H](N[NH+]=Cc1ccc(N2CCCCC2)s1)c1ccncc1 ZINC000819814544 1029613151 /nfs/dbraw/zinc/61/31/51/1029613151.db2.gz BGGXXSBUGWGJMM-AWEZNQCLSA-N 1 1 314.458 3.818 20 30 DHEDMO C[C@@H](N=NC1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000819814909 1029613252 /nfs/dbraw/zinc/61/32/52/1029613252.db2.gz IAZMDEWISDAUPA-IAGOWNOFSA-N 1 1 322.456 3.630 20 30 DHEDMO Cc1cc(Br)ccc1C[N@@H+](C)CC1(C#N)CCC1 ZINC000450864178 1029712933 /nfs/dbraw/zinc/71/29/33/1029712933.db2.gz UMPOELBOXNSDDX-UHFFFAOYSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1cc(Br)ccc1C[N@H+](C)CC1(C#N)CCC1 ZINC000450864178 1029712940 /nfs/dbraw/zinc/71/29/40/1029712940.db2.gz UMPOELBOXNSDDX-UHFFFAOYSA-N 1 1 307.235 3.883 20 30 DHEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](CC/C=C/c3ccccc3)C2)nc1 ZINC000451056619 1029778285 /nfs/dbraw/zinc/77/82/85/1029778285.db2.gz OZIKGDPLRVPRGU-AMGQUURNSA-N 1 1 319.408 3.510 20 30 DHEDMO C=CCC1(C(=O)NCC[N@H+](CC)CCC(F)(F)F)CCCC1 ZINC000451172225 1029812264 /nfs/dbraw/zinc/81/22/64/1029812264.db2.gz MWDVEGNADKDFKE-UHFFFAOYSA-N 1 1 320.399 3.513 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]2COc2ccccc2)cc1 ZINC000451310751 1029843375 /nfs/dbraw/zinc/84/33/75/1029843375.db2.gz GPICWFPMBZHRGA-IBGZPJMESA-N 1 1 306.409 3.796 20 30 DHEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000451414482 1029871071 /nfs/dbraw/zinc/87/10/71/1029871071.db2.gz GOCUZMFDXXSJIZ-OCCSQVGLSA-N 1 1 321.346 3.974 20 30 DHEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000451414482 1029871080 /nfs/dbraw/zinc/87/10/80/1029871080.db2.gz GOCUZMFDXXSJIZ-OCCSQVGLSA-N 1 1 321.346 3.974 20 30 DHEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000451418963 1029871918 /nfs/dbraw/zinc/87/19/18/1029871918.db2.gz NSEHWUPVRCFPTQ-JSGCOSHPSA-N 1 1 312.335 3.600 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000451458854 1029880794 /nfs/dbraw/zinc/88/07/94/1029880794.db2.gz GNLGKZLAUIVXFA-LJQANCHMSA-N 1 1 316.408 3.966 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1 ZINC000451458854 1029880797 /nfs/dbraw/zinc/88/07/97/1029880797.db2.gz GNLGKZLAUIVXFA-LJQANCHMSA-N 1 1 316.408 3.966 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](CF)c2ccc(F)cc2)cc1 ZINC000865822575 1030041160 /nfs/dbraw/zinc/04/11/60/1030041160.db2.gz KRWNDGHFDNHHDP-ACJLOTCBSA-N 1 1 316.351 3.917 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc3occc3c2)C1=O ZINC001275549460 1030096510 /nfs/dbraw/zinc/09/65/10/1030096510.db2.gz VAGXPLNRTKWDSC-HXUWFJFHSA-N 1 1 324.424 3.576 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CC1 ZINC000357549176 1030100204 /nfs/dbraw/zinc/10/02/04/1030100204.db2.gz FJKPCXSXVOVSKJ-UHFFFAOYSA-N 1 1 312.335 3.684 20 30 DHEDMO C=CC[N@@H+](CC(=O)N1CC[C@@H](C)Sc2ccccc21)C1CC1 ZINC000357555550 1030103105 /nfs/dbraw/zinc/10/31/05/1030103105.db2.gz SEPMWSFFWBNOFD-CQSZACIVSA-N 1 1 316.470 3.554 20 30 DHEDMO C=CC[N@H+](CC(=O)N1CC[C@@H](C)Sc2ccccc21)C1CC1 ZINC000357555550 1030103110 /nfs/dbraw/zinc/10/31/10/1030103110.db2.gz SEPMWSFFWBNOFD-CQSZACIVSA-N 1 1 316.470 3.554 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000357557767 1030107160 /nfs/dbraw/zinc/10/71/60/1030107160.db2.gz ZRHGNDOWVKBRRC-ZDUSSCGKSA-N 1 1 306.837 3.510 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000357557767 1030107163 /nfs/dbraw/zinc/10/71/63/1030107163.db2.gz ZRHGNDOWVKBRRC-ZDUSSCGKSA-N 1 1 306.837 3.510 20 30 DHEDMO Cc1[nH]c2ccc(-c3noc([C@H]([NH3+])CCCC#N)n3)cc2c1C ZINC000822760508 1030119317 /nfs/dbraw/zinc/11/93/17/1030119317.db2.gz NVXJDHFUWHCOLT-CQSZACIVSA-N 1 1 309.373 3.528 20 30 DHEDMO C[C@@H]([NH2+][C@H]1CSCc2ccccc21)c1cccc(C#N)c1O ZINC000866250031 1030180306 /nfs/dbraw/zinc/18/03/06/1030180306.db2.gz SKHKPICBZURWEA-PXAZEXFGSA-N 1 1 310.422 3.903 20 30 DHEDMO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000357790685 1030190448 /nfs/dbraw/zinc/19/04/48/1030190448.db2.gz YIKHUXMARQRTLX-HNNXBMFYSA-N 1 1 301.393 3.758 20 30 DHEDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cn2ccccc2c1C#N ZINC000357790685 1030190456 /nfs/dbraw/zinc/19/04/56/1030190456.db2.gz YIKHUXMARQRTLX-HNNXBMFYSA-N 1 1 301.393 3.758 20 30 DHEDMO C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cccc(C#N)c1O ZINC000866344877 1030242210 /nfs/dbraw/zinc/24/22/10/1030242210.db2.gz ATHMPAUDPUFLKV-ZBEGNZNMSA-N 1 1 312.344 3.577 20 30 DHEDMO CCSc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)ccn1 ZINC000866344259 1030243848 /nfs/dbraw/zinc/24/38/48/1030243848.db2.gz SRIADGJIAUFRFM-LBPRGKRZSA-N 1 1 313.426 3.622 20 30 DHEDMO C=CCN(C(=O)c1ccc(C[N@H+](CC)CCC)cc1)C1CC1 ZINC000357960529 1030260523 /nfs/dbraw/zinc/26/05/23/1030260523.db2.gz HCDURMNICKAGKO-UHFFFAOYSA-N 1 1 300.446 3.709 20 30 DHEDMO C[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)c1cccc(C#N)c1O ZINC000866373643 1030265393 /nfs/dbraw/zinc/26/53/93/1030265393.db2.gz OVPWBABJQNIUGC-CYBMUJFWSA-N 1 1 309.413 3.807 20 30 DHEDMO C[C@H](O)C[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccccc1 ZINC000533332819 1030278896 /nfs/dbraw/zinc/27/88/96/1030278896.db2.gz HGRNEYPPWVVAOT-INIZCTEOSA-N 1 1 313.828 3.575 20 30 DHEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@@](C)(O)c1ccccc1 ZINC000823604890 1030335385 /nfs/dbraw/zinc/33/53/85/1030335385.db2.gz FZSWHHGNENHTPL-GOSISDBHSA-N 1 1 314.816 3.551 20 30 DHEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@@](C)(O)c1ccccc1 ZINC000823598436 1030336786 /nfs/dbraw/zinc/33/67/86/1030336786.db2.gz IEAAKMBWMRCILO-OAQYLSRUSA-N 1 1 322.452 3.827 20 30 DHEDMO Cc1cc(CNc2ccc(C#N)cc2F)cc(N2CCCC2)[nH+]1 ZINC000291116618 1030342183 /nfs/dbraw/zinc/34/21/83/1030342183.db2.gz LWWCRXUJHUAKIH-UHFFFAOYSA-N 1 1 310.376 3.613 20 30 DHEDMO CC#CCC[N@H+]1CC2(C[C@@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823649519 1030356012 /nfs/dbraw/zinc/35/60/12/1030356012.db2.gz FBZBAHNWFIEZHH-INIZCTEOSA-N 1 1 320.477 3.511 20 30 DHEDMO C[C@H](NCc1cc(C#N)ccc1F)c1cccc(C[NH+](C)C)c1 ZINC000925474008 1030372726 /nfs/dbraw/zinc/37/27/26/1030372726.db2.gz IAXCEUIEPOXBNM-AWEZNQCLSA-N 1 1 311.404 3.610 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2ccnn2C(C)C)cc1 ZINC000794941028 1030423747 /nfs/dbraw/zinc/42/37/47/1030423747.db2.gz IQEBWIATQSFCLE-HJWRWDBZSA-N 1 1 320.396 3.854 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N1CC[N@H+](CC)C[C@H]1CC ZINC000455388445 1030446640 /nfs/dbraw/zinc/44/66/40/1030446640.db2.gz UUZATKIIWQQZEI-QGZVFWFLSA-N 1 1 315.461 3.753 20 30 DHEDMO [NH2+]=C(Nc1cc2nc(Cl)ccc2[nH]1)c1ccc2ccccc2n1 ZINC001171039859 1030447839 /nfs/dbraw/zinc/44/78/39/1030447839.db2.gz BXZHVBZZUVANNO-UHFFFAOYSA-N 1 1 321.771 3.802 20 30 DHEDMO COc1ccc(C)cc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000558173616 1030448324 /nfs/dbraw/zinc/44/83/24/1030448324.db2.gz CSNRLDVYHNRDSP-UHFFFAOYSA-N 1 1 324.424 3.524 20 30 DHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000358409921 1030476880 /nfs/dbraw/zinc/47/68/80/1030476880.db2.gz JRVNTSWNUGIQTR-FQEVSTJZSA-N 1 1 323.440 3.709 20 30 DHEDMO C[C@@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000068830520 1030541149 /nfs/dbraw/zinc/54/11/49/1030541149.db2.gz SXNCNRLBMJNXDZ-MRXNPFEDSA-N 1 1 323.440 3.860 20 30 DHEDMO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cn1 ZINC000358591306 1030549467 /nfs/dbraw/zinc/54/94/67/1030549467.db2.gz OQQGHTSXEKVCHV-CYBMUJFWSA-N 1 1 313.376 3.730 20 30 DHEDMO C[C@@H]1CC(N=Nc2cccc(F)n2)C[N@@H+](Cc2ccccc2)C1 ZINC000795007080 1030561024 /nfs/dbraw/zinc/56/10/24/1030561024.db2.gz PXBWUSZMKCYVCJ-CQSZACIVSA-N 1 1 312.392 3.531 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)o1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000558422465 1030570159 /nfs/dbraw/zinc/57/01/59/1030570159.db2.gz COAOIFHRSOLPCP-QZTJIDSGSA-N 1 1 310.397 3.829 20 30 DHEDMO N#CCCOCC[N@H+]1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000339081285 1030601977 /nfs/dbraw/zinc/60/19/77/1030601977.db2.gz KXQDSBDGLCZDOZ-ROJDOSBLSA-N 1 1 304.459 3.936 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1 ZINC000824702558 1030605363 /nfs/dbraw/zinc/60/53/63/1030605363.db2.gz NRAOZHUNPVSIIB-MFMLGXQFSA-N 1 1 308.425 3.621 20 30 DHEDMO C=C(Br)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246468398 1030607989 /nfs/dbraw/zinc/60/79/89/1030607989.db2.gz GQMATLGLLFYVAE-VXGBXAGGSA-N 1 1 316.264 3.545 20 30 DHEDMO C=C(Br)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246468398 1030607996 /nfs/dbraw/zinc/60/79/96/1030607996.db2.gz GQMATLGLLFYVAE-VXGBXAGGSA-N 1 1 316.264 3.545 20 30 DHEDMO C=CCC[C@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000558618076 1030684773 /nfs/dbraw/zinc/68/47/73/1030684773.db2.gz NTXBNUHXWKUFEK-AEFFLSMTSA-N 1 1 302.462 3.581 20 30 DHEDMO COCCCO[NH+]=C(C)c1ccc(N2CCCCC2)c(F)c1 ZINC000795055236 1030712320 /nfs/dbraw/zinc/71/23/20/1030712320.db2.gz HYJYRJMZKYXGTJ-UHFFFAOYSA-N 1 1 308.397 3.593 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(F)c(F)c1 ZINC000358990225 1030714582 /nfs/dbraw/zinc/71/45/82/1030714582.db2.gz OIHHJLBDRGFEJS-AEFFLSMTSA-N 1 1 317.383 3.983 20 30 DHEDMO C#Cc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000825226568 1030753413 /nfs/dbraw/zinc/75/34/13/1030753413.db2.gz KFNVKTUXVWVDAR-AVRDEDQJSA-N 1 1 318.464 3.668 20 30 DHEDMO C#Cc1cccc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000825226568 1030753430 /nfs/dbraw/zinc/75/34/30/1030753430.db2.gz KFNVKTUXVWVDAR-AVRDEDQJSA-N 1 1 318.464 3.668 20 30 DHEDMO C#Cc1cccc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000825226568 1030753444 /nfs/dbraw/zinc/75/34/44/1030753444.db2.gz KFNVKTUXVWVDAR-AVRDEDQJSA-N 1 1 318.464 3.668 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000248601859 1030753640 /nfs/dbraw/zinc/75/36/40/1030753640.db2.gz AOKLRXUBFAPDCM-RCCFBDPRSA-N 1 1 306.494 3.702 20 30 DHEDMO COc1ccccc1[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccn1 ZINC000248947773 1030782688 /nfs/dbraw/zinc/78/26/88/1030782688.db2.gz ZLQLLGUWLMXTRA-QINHECLXSA-N 1 1 321.424 3.852 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000076733744 1030818431 /nfs/dbraw/zinc/81/84/31/1030818431.db2.gz DPLRUGPSRKDEQG-LBPRGKRZSA-N 1 1 303.431 3.521 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000614962489 1030876065 /nfs/dbraw/zinc/87/60/65/1030876065.db2.gz HQFPPUJARJIURA-LAUBAEHRSA-N 1 1 319.452 3.826 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000614962489 1030876079 /nfs/dbraw/zinc/87/60/79/1030876079.db2.gz HQFPPUJARJIURA-LAUBAEHRSA-N 1 1 319.452 3.826 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000614962489 1030876090 /nfs/dbraw/zinc/87/60/90/1030876090.db2.gz HQFPPUJARJIURA-LAUBAEHRSA-N 1 1 319.452 3.826 20 30 DHEDMO COc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1C(F)(F)F ZINC001143644504 1030880046 /nfs/dbraw/zinc/88/00/46/1030880046.db2.gz GOERYERBQKMUDN-GFCCVEGCSA-N 1 1 312.335 3.840 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1C(F)(F)F ZINC001143644504 1030880068 /nfs/dbraw/zinc/88/00/68/1030880068.db2.gz GOERYERBQKMUDN-GFCCVEGCSA-N 1 1 312.335 3.840 20 30 DHEDMO NC(=[NH+]OCc1coc(-c2c(F)cccc2F)n1)C1CCCC1 ZINC000179237093 1030883713 /nfs/dbraw/zinc/88/37/13/1030883713.db2.gz QJSYCNDTBXKEEL-UHFFFAOYSA-N 1 1 321.327 3.599 20 30 DHEDMO CC[C@H]([NH2+]Cc1cc(OC)ccc1F)c1cccc(C#N)c1O ZINC000926736180 1030894828 /nfs/dbraw/zinc/89/48/28/1030894828.db2.gz ZCTRHVCHWVYFGO-KRWDZBQOSA-N 1 1 314.360 3.652 20 30 DHEDMO CC(=O)Oc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000122964987 1030932000 /nfs/dbraw/zinc/93/20/00/1030932000.db2.gz OIEQNIUHFVWTCK-UHFFFAOYSA-N 1 1 322.408 3.894 20 30 DHEDMO C[C@H](CC#N)[N@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000161905003 1030959884 /nfs/dbraw/zinc/95/98/84/1030959884.db2.gz QEJMFCAUJUBULS-MRXNPFEDSA-N 1 1 321.424 3.916 20 30 DHEDMO C[C@H](CC#N)[N@@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000161905003 1030959893 /nfs/dbraw/zinc/95/98/93/1030959893.db2.gz QEJMFCAUJUBULS-MRXNPFEDSA-N 1 1 321.424 3.916 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000844272594 1031032955 /nfs/dbraw/zinc/03/29/55/1031032955.db2.gz LKCAYSJLNZNMES-ZDUSSCGKSA-N 1 1 307.353 3.586 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000844272594 1031032974 /nfs/dbraw/zinc/03/29/74/1031032974.db2.gz LKCAYSJLNZNMES-ZDUSSCGKSA-N 1 1 307.353 3.586 20 30 DHEDMO CCCOc1cccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000844370526 1031074187 /nfs/dbraw/zinc/07/41/87/1031074187.db2.gz IEWMNGAETJYRLN-FQEVSTJZSA-N 1 1 324.424 3.512 20 30 DHEDMO Cn1nc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1C1CC1 ZINC000927106739 1031091682 /nfs/dbraw/zinc/09/16/82/1031091682.db2.gz DDEWCONAIAJRIT-LJQANCHMSA-N 1 1 320.440 3.726 20 30 DHEDMO CC(C)O[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000844377757 1031109250 /nfs/dbraw/zinc/10/92/50/1031109250.db2.gz HQCFMYRGGATCMY-MRXNPFEDSA-N 1 1 322.836 3.632 20 30 DHEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000844377757 1031109256 /nfs/dbraw/zinc/10/92/56/1031109256.db2.gz HQCFMYRGGATCMY-MRXNPFEDSA-N 1 1 322.836 3.632 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000797005550 1031132357 /nfs/dbraw/zinc/13/23/57/1031132357.db2.gz COQOKRYVUBEXRX-ZDUSSCGKSA-N 1 1 301.361 3.947 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1cc(OC(F)(F)F)ccc1OC ZINC001144004506 1031152115 /nfs/dbraw/zinc/15/21/15/1031152115.db2.gz BYLYBJNMWCCRMU-UHFFFAOYSA-N 1 1 303.324 3.992 20 30 DHEDMO N#Cc1ccccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000292747172 1031155575 /nfs/dbraw/zinc/15/55/75/1031155575.db2.gz NNUGZTLZORABBI-IBGZPJMESA-N 1 1 306.409 3.552 20 30 DHEDMO Cc1ccnc(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1C#N ZINC000359844985 1031161752 /nfs/dbraw/zinc/16/17/52/1031161752.db2.gz ODZLUNFKOKDWBY-IBGZPJMESA-N 1 1 320.440 3.584 20 30 DHEDMO CCOc1c(F)cc(C[N@H+](C)Cc2cccc(C#N)c2)cc1F ZINC001144033530 1031197279 /nfs/dbraw/zinc/19/72/79/1031197279.db2.gz WFOGDNWHJWKGIE-UHFFFAOYSA-N 1 1 316.351 3.867 20 30 DHEDMO CCOc1c(F)cc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1F ZINC001144033530 1031197288 /nfs/dbraw/zinc/19/72/88/1031197288.db2.gz WFOGDNWHJWKGIE-UHFFFAOYSA-N 1 1 316.351 3.867 20 30 DHEDMO N#Cc1cncc(C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC001144074276 1031226077 /nfs/dbraw/zinc/22/60/77/1031226077.db2.gz YKGKBVQOPTXQQB-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO N#Cc1cncc(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC001144074276 1031226095 /nfs/dbraw/zinc/22/60/95/1031226095.db2.gz YKGKBVQOPTXQQB-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO Cc1c(O)cccc1C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001144118351 1031254317 /nfs/dbraw/zinc/25/43/17/1031254317.db2.gz UODQFDJOVSSXNS-GOSISDBHSA-N 1 1 322.408 3.616 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCS[C@@H](C(C)C)C2)cc(OC)c1O ZINC000536672542 1031380330 /nfs/dbraw/zinc/38/03/30/1031380330.db2.gz SIPQYXIGWMTCHC-QGZVFWFLSA-N 1 1 321.486 3.703 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)CC1 ZINC000929068927 1031424533 /nfs/dbraw/zinc/42/45/33/1031424533.db2.gz FIVXKEKHZWWOMN-UHFFFAOYSA-N 1 1 320.440 3.560 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](CCCc3ccncc3)CC2)cc1 ZINC000360493342 1031445454 /nfs/dbraw/zinc/44/54/54/1031445454.db2.gz WPELAROHZNIHAB-UHFFFAOYSA-N 1 1 303.409 3.675 20 30 DHEDMO C[N@H+](Cc1ccc(Br)o1)CC1CCC(C#N)CC1 ZINC000929176437 1031455880 /nfs/dbraw/zinc/45/58/80/1031455880.db2.gz ZVMMLDPLLQQIHV-UHFFFAOYSA-N 1 1 311.223 3.804 20 30 DHEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cccc(CC)c1)C2 ZINC001144323346 1031464181 /nfs/dbraw/zinc/46/41/81/1031464181.db2.gz YMZAROUDRZRZBT-WOJBJXKFSA-N 1 1 315.457 3.575 20 30 DHEDMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000872095066 1031489981 /nfs/dbraw/zinc/48/99/81/1031489981.db2.gz KURIHGVPUJVKMM-AYOQOUSVSA-N 1 1 315.436 3.587 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(O)cc1C(F)(F)F ZINC001144391874 1031514568 /nfs/dbraw/zinc/51/45/68/1031514568.db2.gz HRQJWQCUCNYKMJ-UHFFFAOYSA-N 1 1 320.314 3.915 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc3[nH]c(C)c(C)c3c2)no1 ZINC000872176134 1031549256 /nfs/dbraw/zinc/54/92/56/1031549256.db2.gz NLEKIBRJICRVPF-CYBMUJFWSA-N 1 1 316.792 3.977 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@H](C)c2c(F)cccc2F)no1 ZINC000872174949 1031550129 /nfs/dbraw/zinc/55/01/29/1031550129.db2.gz IDEVGJFCRCJQBJ-LDYMZIIASA-N 1 1 313.735 3.642 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(CSCc2ccccc2)no1 ZINC000872175633 1031550369 /nfs/dbraw/zinc/55/03/69/1031550369.db2.gz NVRDLMHSEPPDOB-GFCCVEGCSA-N 1 1 309.822 3.645 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(CSCc2ccccc2)no1 ZINC000872175702 1031551269 /nfs/dbraw/zinc/55/12/69/1031551269.db2.gz NVRDLMHSEPPDOB-LBPRGKRZSA-N 1 1 309.822 3.645 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C2(c3ccccc3)CCC2)no1 ZINC000872177219 1031552191 /nfs/dbraw/zinc/55/21/91/1031552191.db2.gz DXBMMEZUMRKXAY-ZDUSSCGKSA-N 1 1 303.793 3.682 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C2(c3cccc(C)c3)CC2)no1 ZINC000872182595 1031552304 /nfs/dbraw/zinc/55/23/04/1031552304.db2.gz OFAHQWZRRXIKSY-CYBMUJFWSA-N 1 1 303.793 3.600 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(Cc2ccc(Cl)cc2C)no1 ZINC000872179357 1031552907 /nfs/dbraw/zinc/55/29/07/1031552907.db2.gz ADYLAOVTTCGFSI-GFCCVEGCSA-N 1 1 312.200 3.765 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2CCC(C#N)CC2)C1 ZINC000929644972 1031566570 /nfs/dbraw/zinc/56/65/70/1031566570.db2.gz YYWQXBRMUCQGCJ-FVELJTHGSA-N 1 1 317.521 3.903 20 30 DHEDMO C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929644972 1031566579 /nfs/dbraw/zinc/56/65/79/1031566579.db2.gz YYWQXBRMUCQGCJ-FVELJTHGSA-N 1 1 317.521 3.903 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872278110 1031572040 /nfs/dbraw/zinc/57/20/40/1031572040.db2.gz GVBBZGORYNBPFT-GOSISDBHSA-N 1 1 302.393 3.621 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872278110 1031572056 /nfs/dbraw/zinc/57/20/56/1031572056.db2.gz GVBBZGORYNBPFT-GOSISDBHSA-N 1 1 302.393 3.621 20 30 DHEDMO Cc1cc(C#N)cc(C)c1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000929690818 1031580028 /nfs/dbraw/zinc/58/00/28/1031580028.db2.gz WHUBZWSQQXNKTJ-LJQANCHMSA-N 1 1 311.473 3.625 20 30 DHEDMO Cc1nc2ccc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)cc2[nH]1 ZINC001171184966 1031591307 /nfs/dbraw/zinc/59/13/07/1031591307.db2.gz QVGULUQHIKNHCA-UHFFFAOYSA-N 1 1 316.364 3.767 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)[C@H](CCO)c1ccccc1 ZINC000929724597 1031591513 /nfs/dbraw/zinc/59/15/13/1031591513.db2.gz BNYSESBKOYRLFS-GOSISDBHSA-N 1 1 300.446 3.906 20 30 DHEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000537408162 1031595073 /nfs/dbraw/zinc/59/50/73/1031595073.db2.gz VWHVWUROECZSMB-FZKCQIBNSA-N 1 1 317.452 3.714 20 30 DHEDMO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000537408162 1031595085 /nfs/dbraw/zinc/59/50/85/1031595085.db2.gz VWHVWUROECZSMB-FZKCQIBNSA-N 1 1 317.452 3.714 20 30 DHEDMO [NH2+]=C(Nc1cnc2ccoc2c1)c1ccc2cc(O)ccc2c1 ZINC001171183754 1031595369 /nfs/dbraw/zinc/59/53/69/1031595369.db2.gz AKVODLQHGIAZQX-UHFFFAOYSA-N 1 1 303.321 3.724 20 30 DHEDMO C[N@H+](CC1CC1)C[C@@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000929762800 1031602362 /nfs/dbraw/zinc/60/23/62/1031602362.db2.gz IZJPIBCSFGICLB-SFHVURJKSA-N 1 1 303.494 3.514 20 30 DHEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000929762800 1031602365 /nfs/dbraw/zinc/60/23/65/1031602365.db2.gz IZJPIBCSFGICLB-SFHVURJKSA-N 1 1 303.494 3.514 20 30 DHEDMO CSc1nnc(SC)n1[NH+]=C1CC(c2ccc(C)cc2)C1 ZINC000872417311 1031603381 /nfs/dbraw/zinc/60/33/81/1031603381.db2.gz UKWCTIXQKYSWMO-UHFFFAOYSA-N 1 1 318.471 3.812 20 30 DHEDMO C=CCCC1(C(=O)N2CCC(C[N@H+](C)CCCC)CC2)CC1 ZINC000476040075 1031610851 /nfs/dbraw/zinc/61/08/51/1031610851.db2.gz LCKGVJBBDASFOM-UHFFFAOYSA-N 1 1 306.494 3.703 20 30 DHEDMO C=CCCC1(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000476050253 1031618259 /nfs/dbraw/zinc/61/82/59/1031618259.db2.gz MYWYLKXKTGAXNM-ZWKOTPCHSA-N 1 1 318.505 3.846 20 30 DHEDMO COCC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](C)c1ccccc1 ZINC000612065843 1031629977 /nfs/dbraw/zinc/62/99/77/1031629977.db2.gz ACLGLOWPCCSZNR-KRWDZBQOSA-N 1 1 308.425 3.962 20 30 DHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3cccc(C#N)c3)cc2)c1C ZINC000360952193 1031641995 /nfs/dbraw/zinc/64/19/95/1031641995.db2.gz XPUMWCZAPREGRI-UHFFFAOYSA-N 1 1 316.364 3.613 20 30 DHEDMO CCc1cnc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)s1 ZINC000897589229 1031664143 /nfs/dbraw/zinc/66/41/43/1031664143.db2.gz VBPQREWEHPNCHT-UHFFFAOYSA-N 1 1 311.454 3.957 20 30 DHEDMO N#CC1CCC(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000929976778 1031666253 /nfs/dbraw/zinc/66/62/53/1031666253.db2.gz CEVBDGCPIDYBBQ-LBXVMSDZSA-N 1 1 312.457 3.688 20 30 DHEDMO C[C@@H](Cc1ccsc1)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000897596001 1031679081 /nfs/dbraw/zinc/67/90/81/1031679081.db2.gz KZGVYSPTKHYOJT-KBXCAEBGSA-N 1 1 312.438 3.624 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)CC1 ZINC000930095539 1031697977 /nfs/dbraw/zinc/69/79/77/1031697977.db2.gz YCGNVGQXXFLQHY-DAWZGUTISA-N 1 1 322.456 3.831 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCC1 ZINC000930099222 1031699634 /nfs/dbraw/zinc/69/96/34/1031699634.db2.gz JTKBIBBRVIOKOC-UHFFFAOYSA-N 1 1 313.401 3.817 20 30 DHEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930126394 1031706307 /nfs/dbraw/zinc/70/63/07/1031706307.db2.gz OEHWLDLJVSVGLS-INIZCTEOSA-N 1 1 314.820 3.889 20 30 DHEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930126394 1031706319 /nfs/dbraw/zinc/70/63/19/1031706319.db2.gz OEHWLDLJVSVGLS-INIZCTEOSA-N 1 1 314.820 3.889 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](CCCCC3(C#N)CCC3)CCO2)c1 ZINC000930134282 1031710365 /nfs/dbraw/zinc/71/03/65/1031710365.db2.gz GGLWARPQNRLKIY-LJQANCHMSA-N 1 1 323.440 3.796 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](CCCCC3(C#N)CCC3)CCO2)c1 ZINC000930134282 1031710375 /nfs/dbraw/zinc/71/03/75/1031710375.db2.gz GGLWARPQNRLKIY-LJQANCHMSA-N 1 1 323.440 3.796 20 30 DHEDMO C#Cc1ccc(CN2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC001144573449 1031722646 /nfs/dbraw/zinc/72/26/46/1031722646.db2.gz KNZQKARZGFIRHS-UHFFFAOYSA-N 1 1 318.464 3.764 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000361091568 1031724572 /nfs/dbraw/zinc/72/45/72/1031724572.db2.gz RFWMATDKSHBMSZ-GOSISDBHSA-N 1 1 310.422 3.641 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCO[C@@](C)(c3ccc(F)cc3)C2)cc1 ZINC001144576416 1031724970 /nfs/dbraw/zinc/72/49/70/1031724970.db2.gz KKBMNPLNBXMKPF-HXUWFJFHSA-N 1 1 309.384 3.555 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCO[C@@](C)(c3ccc(F)cc3)C2)cc1 ZINC001144576416 1031724980 /nfs/dbraw/zinc/72/49/80/1031724980.db2.gz KKBMNPLNBXMKPF-HXUWFJFHSA-N 1 1 309.384 3.555 20 30 DHEDMO Cc1cc(C[NH2+]Cc2nc(C#N)cs2)ccc1C(F)(F)F ZINC000897630342 1031755109 /nfs/dbraw/zinc/75/51/09/1031755109.db2.gz WEQKDSUQLPAIRK-UHFFFAOYSA-N 1 1 311.332 3.632 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CC2CCC(C#N)CC2)C1 ZINC000930299609 1031771665 /nfs/dbraw/zinc/77/16/65/1031771665.db2.gz HDWNDAAJZZNSJM-FOVRIMIMSA-N 1 1 318.505 3.968 20 30 DHEDMO COc1ccc2c(c1)CC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)C2 ZINC001171202791 1031781344 /nfs/dbraw/zinc/78/13/44/1031781344.db2.gz GPXKYGDEKNEXEH-OAHLLOKOSA-N 1 1 306.409 3.556 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@H+]([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171203680 1031789074 /nfs/dbraw/zinc/78/90/74/1031789074.db2.gz OVQIVPCOVIBWDB-LPHOPBHVSA-N 1 1 320.436 3.987 20 30 DHEDMO C[N@H+](Cc1cccc(C2CC2)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000846006930 1031805202 /nfs/dbraw/zinc/80/52/02/1031805202.db2.gz LQFKSLNWHRAURI-FQEVSTJZSA-N 1 1 306.409 3.601 20 30 DHEDMO C[N@H+](Cc1nc(-c2cccs2)no1)CC1CCC(C#N)CC1 ZINC000930442740 1031820614 /nfs/dbraw/zinc/82/06/14/1031820614.db2.gz YQYQBWANFVERTM-UHFFFAOYSA-N 1 1 316.430 3.560 20 30 DHEDMO CC(C)OCc1nc([C@@H](C)[NH2+]CCCCC2(C#N)CCC2)no1 ZINC000930525892 1031856270 /nfs/dbraw/zinc/85/62/70/1031856270.db2.gz YZJCUOGFNCASGB-CQSZACIVSA-N 1 1 320.437 3.509 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001171210946 1031856336 /nfs/dbraw/zinc/85/63/36/1031856336.db2.gz XTEZTQHAFLKTEL-SWLSCSKDSA-N 1 1 314.326 3.713 20 30 DHEDMO CCOC[C@@]12CCC[C@@H]1C[N@H+]([C@H](C)Cc1cccc(C#N)c1)C2 ZINC001171212654 1031869042 /nfs/dbraw/zinc/86/90/42/1031869042.db2.gz OXKGKCWZYWTAHL-AHRSYUTCSA-N 1 1 312.457 3.628 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000846107003 1031881326 /nfs/dbraw/zinc/88/13/26/1031881326.db2.gz DQDXUESYJMRPTC-CZUORRHYSA-N 1 1 306.356 3.599 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)CCC1 ZINC000930613200 1031890449 /nfs/dbraw/zinc/89/04/49/1031890449.db2.gz YAYRGIQRFKMZLS-KSZLIROESA-N 1 1 304.478 3.866 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000930716640 1031927077 /nfs/dbraw/zinc/92/70/77/1031927077.db2.gz ZKHXFXKFVCIDSV-MSOLQXFVSA-N 1 1 312.800 3.520 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000930716640 1031927093 /nfs/dbraw/zinc/92/70/93/1031927093.db2.gz ZKHXFXKFVCIDSV-MSOLQXFVSA-N 1 1 312.800 3.520 20 30 DHEDMO N#CC1CCC(C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC000930762041 1031940853 /nfs/dbraw/zinc/94/08/53/1031940853.db2.gz SVTNIRUDDUQIBY-NLDTVIPQSA-N 1 1 323.484 3.523 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000930764597 1031942333 /nfs/dbraw/zinc/94/23/33/1031942333.db2.gz YTRXFVSQKALAEW-FQEVSTJZSA-N 1 1 324.468 3.956 20 30 DHEDMO COc1ccccc1C1([NH2+]Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000930813136 1031957679 /nfs/dbraw/zinc/95/76/79/1031957679.db2.gz AMYFLZMWKXOUKS-UHFFFAOYSA-N 1 1 312.800 3.999 20 30 DHEDMO Cc1ccccc1O[C@@H]1CC[N@H+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171221370 1031958965 /nfs/dbraw/zinc/95/89/65/1031958965.db2.gz LQNLBFRPEVPKMH-YLJYHZDGSA-N 1 1 320.436 3.951 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001171221768 1031964062 /nfs/dbraw/zinc/96/40/62/1031964062.db2.gz UKVHOOQMOKERIY-UZLBHIALSA-N 1 1 305.425 3.591 20 30 DHEDMO CCn1cc(C[N@@H+](CCCCC2(C#N)CCC2)C(C)C)cn1 ZINC000930856373 1031964628 /nfs/dbraw/zinc/96/46/28/1031964628.db2.gz MIEGWDDQMXAPNW-UHFFFAOYSA-N 1 1 302.466 3.978 20 30 DHEDMO CC1(C)C[C@@H]([N@H+](Cc2ccccc2)Cc2cncc(C#N)c2)CO1 ZINC000930928977 1031986679 /nfs/dbraw/zinc/98/66/79/1031986679.db2.gz VVPMMPMCXMBFCH-LJQANCHMSA-N 1 1 321.424 3.523 20 30 DHEDMO CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)Cc2cncc(C#N)c2)CO1 ZINC000930928977 1031986690 /nfs/dbraw/zinc/98/66/90/1031986690.db2.gz VVPMMPMCXMBFCH-LJQANCHMSA-N 1 1 321.424 3.523 20 30 DHEDMO COc1ccc2c(c1)C[N@@H+]([C@H](C)Cc1cccc(C#N)c1)CCC2 ZINC001171232170 1032000797 /nfs/dbraw/zinc/00/07/97/1032000797.db2.gz PYJLIVDEOBGNSG-MRXNPFEDSA-N 1 1 320.436 3.946 20 30 DHEDMO CC(=O)c1ccc2c(c1)C[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171230025 1032004231 /nfs/dbraw/zinc/00/42/31/1032004231.db2.gz RPLVZTIYOIWDPA-HNNXBMFYSA-N 1 1 318.420 3.750 20 30 DHEDMO Cc1cc(C#N)ccc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000846756621 1032051308 /nfs/dbraw/zinc/05/13/08/1032051308.db2.gz XCTHZYOIDQTKSO-UHFFFAOYSA-N 1 1 320.440 3.784 20 30 DHEDMO C[C@H](C[N@@H+](C)CCCCC(C)(C)C#N)NC(=O)OC(C)(C)C ZINC000860097713 1033299237 /nfs/dbraw/zinc/29/92/37/1033299237.db2.gz VXWFCQLIJORPNJ-CQSZACIVSA-N 1 1 311.470 3.551 20 30 DHEDMO CCCC[C@@H]1C[C@@H]([N@@H+](C)CCC#N)CCN1C(=O)OC(C)(C)C ZINC001172631906 1033299971 /nfs/dbraw/zinc/29/99/71/1033299971.db2.gz GZVVYASRBZVWRM-JKSUJKDBSA-N 1 1 323.481 3.790 20 30 DHEDMO C[C@]1(C[N@H+]2CCc3c(CC#N)cccc3C2)CC1(Cl)Cl ZINC000860109811 1033302455 /nfs/dbraw/zinc/30/24/55/1033302455.db2.gz ZZZPNHJSOMMHGW-OAHLLOKOSA-N 1 1 309.240 3.695 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338342639 1033325799 /nfs/dbraw/zinc/32/57/99/1033325799.db2.gz JHBRIBDTGIMQIV-UHFFFAOYSA-N 1 1 308.381 3.839 20 30 DHEDMO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000126622640 1033384506 /nfs/dbraw/zinc/38/45/06/1033384506.db2.gz WTOPWXRCMZQQFS-KKSFZXQISA-N 1 1 320.436 3.892 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)cc1 ZINC000877703832 1033417260 /nfs/dbraw/zinc/41/72/60/1033417260.db2.gz FJPCLFFFCJDXKR-INIZCTEOSA-N 1 1 319.408 3.524 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c1 ZINC000877739970 1033429015 /nfs/dbraw/zinc/42/90/15/1033429015.db2.gz PSZXWTZMGSRQSA-IAGOWNOFSA-N 1 1 316.470 3.554 20 30 DHEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)[nH]n1 ZINC000877785505 1033449877 /nfs/dbraw/zinc/44/98/77/1033449877.db2.gz ZVWJPMBGMIDINM-CYBMUJFWSA-N 1 1 314.458 3.846 20 30 DHEDMO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)n[nH]1 ZINC000877785505 1033449884 /nfs/dbraw/zinc/44/98/84/1033449884.db2.gz ZVWJPMBGMIDINM-CYBMUJFWSA-N 1 1 314.458 3.846 20 30 DHEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)n[nH]1 ZINC000877785505 1033449888 /nfs/dbraw/zinc/44/98/88/1033449888.db2.gz ZVWJPMBGMIDINM-CYBMUJFWSA-N 1 1 314.458 3.846 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)C1CC1 ZINC000552836828 1033520546 /nfs/dbraw/zinc/52/05/46/1033520546.db2.gz WKQBVZZNYOONPJ-ZDUSSCGKSA-N 1 1 304.459 3.634 20 30 DHEDMO COc1cc(C[N@@H+](C)CCCCC#N)c(SC)cc1OC ZINC000152637610 1033534900 /nfs/dbraw/zinc/53/49/00/1033534900.db2.gz FCOMUYJLWJOJTL-UHFFFAOYSA-N 1 1 308.447 3.551 20 30 DHEDMO C#CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)C1CCCCC1 ZINC000878001691 1033547003 /nfs/dbraw/zinc/54/70/03/1033547003.db2.gz YIZHTMLMUPGUBC-NRFANRHFSA-N 1 1 322.452 3.695 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H]1C(C)(C)C)c1ccccc1 ZINC000878055125 1033567458 /nfs/dbraw/zinc/56/74/58/1033567458.db2.gz QIIJVQDYDPIWSN-QUCCMNQESA-N 1 1 312.457 3.938 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](CCCOC(F)(F)F)CC2)cc1 ZINC000878334392 1033660737 /nfs/dbraw/zinc/66/07/37/1033660737.db2.gz XJEZUGNXHHNUNG-UHFFFAOYSA-N 1 1 310.319 3.574 20 30 DHEDMO CCCCCCCC[C@@H](CCC)[NH+]1CC(N2CCN(C)CC2)C1 ZINC001173309635 1033662218 /nfs/dbraw/zinc/66/22/18/1033662218.db2.gz YLXWSNROZJZUSI-LJQANCHMSA-N 1 1 323.569 3.837 20 30 DHEDMO CC[C@@H](CSC)[N@@H+](C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878343589 1033664636 /nfs/dbraw/zinc/66/46/36/1033664636.db2.gz FTIITGRGUVLILH-ROUUACIJSA-N 1 1 318.486 3.500 20 30 DHEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@H]3CC[C@@H](CC)C3)C2)C1 ZINC001173276924 1033669170 /nfs/dbraw/zinc/66/91/70/1033669170.db2.gz ZHVOGMAILVGIRS-ZIFCJYIRSA-N 1 1 320.477 3.676 20 30 DHEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000878384259 1033684971 /nfs/dbraw/zinc/68/49/71/1033684971.db2.gz AVSLCISGLGMDGI-RDJZCZTQSA-N 1 1 300.446 3.540 20 30 DHEDMO C=CCOC1CCC([N@H+](C)CCN(C)Cc2ccccc2)CC1 ZINC001173322839 1033686603 /nfs/dbraw/zinc/68/66/03/1033686603.db2.gz MOCJYADXRHMBHE-UHFFFAOYSA-N 1 1 316.489 3.564 20 30 DHEDMO C=CCOC1CCC([N@@H+](CCC)CCc2ccccn2)CC1 ZINC001173326579 1033686784 /nfs/dbraw/zinc/68/67/84/1033686784.db2.gz LFWBZBHGGTVODA-UHFFFAOYSA-N 1 1 302.462 3.850 20 30 DHEDMO Cc1cccc(O[C@H]2CCC[N@H+](C3CCC(CC#N)CC3)C2)n1 ZINC001173339030 1033693982 /nfs/dbraw/zinc/69/39/82/1033693982.db2.gz BTRJQABSTIBOBR-ABHNRTSZSA-N 1 1 313.445 3.706 20 30 DHEDMO N#CCC1CCC([N@H+]2CCc3ncc(C(F)(F)F)cc3C2)CC1 ZINC001173339495 1033695078 /nfs/dbraw/zinc/69/50/78/1033695078.db2.gz QEMCEFODZYRGHX-UHFFFAOYSA-N 1 1 323.362 3.931 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000829768622 1033737096 /nfs/dbraw/zinc/73/70/96/1033737096.db2.gz HWENKANIDJROLL-ZDUSSCGKSA-N 1 1 315.804 3.625 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCCN(c3ccccc3Cl)CC2)o1 ZINC000878614004 1033771517 /nfs/dbraw/zinc/77/15/17/1033771517.db2.gz BBLXCFXJGCRPKQ-UHFFFAOYSA-N 1 1 315.804 3.517 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ccccc3Cl)CC2)o1 ZINC000878614004 1033771535 /nfs/dbraw/zinc/77/15/35/1033771535.db2.gz BBLXCFXJGCRPKQ-UHFFFAOYSA-N 1 1 315.804 3.517 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)CC1 ZINC001173596364 1033780893 /nfs/dbraw/zinc/78/08/93/1033780893.db2.gz UDXXLYORISPNRT-LMDPOFIKSA-N 1 1 303.494 3.799 20 30 DHEDMO CC1(C#N)CCC([N@@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001173596364 1033780906 /nfs/dbraw/zinc/78/09/06/1033780906.db2.gz UDXXLYORISPNRT-LMDPOFIKSA-N 1 1 303.494 3.799 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001173596364 1033780920 /nfs/dbraw/zinc/78/09/20/1033780920.db2.gz UDXXLYORISPNRT-LMDPOFIKSA-N 1 1 303.494 3.799 20 30 DHEDMO C=CCCCC(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000479500767 1033784394 /nfs/dbraw/zinc/78/43/94/1033784394.db2.gz VHPKNPUECQYCEE-IBGZPJMESA-N 1 1 314.473 3.542 20 30 DHEDMO C=CCCCC(=O)NC[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000479500771 1033785207 /nfs/dbraw/zinc/78/52/07/1033785207.db2.gz VHPKNPUECQYCEE-LJQANCHMSA-N 1 1 314.473 3.542 20 30 DHEDMO Cc1c(F)nccc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000862252334 1033798291 /nfs/dbraw/zinc/79/82/91/1033798291.db2.gz FBNXWQZLRQNODX-UHFFFAOYSA-N 1 1 307.372 3.690 20 30 DHEDMO Cc1c(F)nccc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000862252334 1033798310 /nfs/dbraw/zinc/79/83/10/1033798310.db2.gz FBNXWQZLRQNODX-UHFFFAOYSA-N 1 1 307.372 3.690 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccccn3)c2Cl)C1 ZINC000862440252 1033853496 /nfs/dbraw/zinc/85/34/96/1033853496.db2.gz HAPDHECZJLZBEY-CQSZACIVSA-N 1 1 316.836 3.627 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000862445441 1033858839 /nfs/dbraw/zinc/85/88/39/1033858839.db2.gz TZUGWHYVNGTOHA-CQSZACIVSA-N 1 1 310.353 3.700 20 30 DHEDMO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000879024156 1033900003 /nfs/dbraw/zinc/90/00/03/1033900003.db2.gz IPNGDTRBUPBMSS-SFHVURJKSA-N 1 1 314.473 3.569 20 30 DHEDMO Cc1cc(C[N@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)ccc1C#N ZINC000553944271 1033900411 /nfs/dbraw/zinc/90/04/11/1033900411.db2.gz QMBLECUPYGOMPB-MSOLQXFVSA-N 1 1 322.452 3.853 20 30 DHEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000339040491 1033903638 /nfs/dbraw/zinc/90/36/38/1033903638.db2.gz PHWDONPCITUPNE-SFHVURJKSA-N 1 1 313.445 3.957 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ccc(C#N)o1 ZINC000174272168 1033919180 /nfs/dbraw/zinc/91/91/80/1033919180.db2.gz XLIMGCMFMHGYEM-MRXNPFEDSA-N 1 1 323.440 3.815 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000553987259 1033919183 /nfs/dbraw/zinc/91/91/83/1033919183.db2.gz MYPQGICRYLWFPY-ZBFHGGJFSA-N 1 1 318.486 3.720 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000553987259 1033919191 /nfs/dbraw/zinc/91/91/91/1033919191.db2.gz MYPQGICRYLWFPY-ZBFHGGJFSA-N 1 1 318.486 3.720 20 30 DHEDMO COc1ccc(C[NH2+][C@H](c2nc(C)cs2)C2CC2)cc1C#N ZINC000174541750 1033942022 /nfs/dbraw/zinc/94/20/22/1033942022.db2.gz OLWVFIJSAZNZAZ-INIZCTEOSA-N 1 1 313.426 3.573 20 30 DHEDMO CC(=O)Nc1cccc2c1C[N@H+]([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000879235186 1033957916 /nfs/dbraw/zinc/95/79/16/1033957916.db2.gz JDUIMXRIJXTFHR-AWEZNQCLSA-N 1 1 319.408 3.636 20 30 DHEDMO CC(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000879235186 1033957931 /nfs/dbraw/zinc/95/79/31/1033957931.db2.gz JDUIMXRIJXTFHR-AWEZNQCLSA-N 1 1 319.408 3.636 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879245156 1033961037 /nfs/dbraw/zinc/96/10/37/1033961037.db2.gz IKPAFBZKDATNRV-ROUUACIJSA-N 1 1 300.446 3.904 20 30 DHEDMO CCCCCCCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000119240055 1033978727 /nfs/dbraw/zinc/97/87/27/1033978727.db2.gz PZGWUXXWWQIVJC-SJLPKXTDSA-N 1 1 306.494 3.822 20 30 DHEDMO CN(C)C(=O)Sc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000879311198 1033979680 /nfs/dbraw/zinc/97/96/80/1033979680.db2.gz ODNWGWPYWJZLJF-GDBMZVCRSA-N 1 1 317.458 3.584 20 30 DHEDMO CN(C)C(=O)Sc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000879311198 1033979687 /nfs/dbraw/zinc/97/96/87/1033979687.db2.gz ODNWGWPYWJZLJF-GDBMZVCRSA-N 1 1 317.458 3.584 20 30 DHEDMO N#CCCOCC[N@H+]1CCCC[C@@H]1CCCc1ccccc1 ZINC000339050584 1033987802 /nfs/dbraw/zinc/98/78/02/1033987802.db2.gz IVKUFHYOJLSTQB-LJQANCHMSA-N 1 1 300.446 3.794 20 30 DHEDMO COc1ccc([C@H]2C[N@@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC000879636214 1034066112 /nfs/dbraw/zinc/06/61/12/1034066112.db2.gz KBDBHKWRDKOEDG-MGPUTAFESA-N 1 1 322.408 3.701 20 30 DHEDMO COc1ccc([C@H]2C[N@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC000879636214 1034066123 /nfs/dbraw/zinc/06/61/23/1034066123.db2.gz KBDBHKWRDKOEDG-MGPUTAFESA-N 1 1 322.408 3.701 20 30 DHEDMO Cc1cc(C[NH2+]C[C@H](C#N)CCC#N)c(C)n1-c1cccc(C)c1 ZINC000863387748 1034082877 /nfs/dbraw/zinc/08/28/77/1034082877.db2.gz JIDZOWCVDLSGLL-SFHVURJKSA-N 1 1 320.440 3.936 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000554487748 1034173221 /nfs/dbraw/zinc/17/32/21/1034173221.db2.gz HQKMERIQOFUHGV-KRWDZBQOSA-N 1 1 319.408 3.766 20 30 DHEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@@H](C(F)(F)F)O1 ZINC000880064314 1034197290 /nfs/dbraw/zinc/19/72/90/1034197290.db2.gz MDVXUAAJLUHPLJ-KGLIPLIRSA-N 1 1 318.383 3.892 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](CF)C2)c(Br)c1 ZINC000880237225 1034256342 /nfs/dbraw/zinc/25/63/42/1034256342.db2.gz TWZQRCBWBKXODI-LBPRGKRZSA-N 1 1 311.198 3.502 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CF)C2)c(Br)c1 ZINC000880237225 1034256365 /nfs/dbraw/zinc/25/63/65/1034256365.db2.gz TWZQRCBWBKXODI-LBPRGKRZSA-N 1 1 311.198 3.502 20 30 DHEDMO COc1ccc(CNc2[nH+]ccc3cc(F)ccc32)cc1C#N ZINC000864012048 1034251253 /nfs/dbraw/zinc/25/12/53/1034251253.db2.gz OHGXFAAEILGCOE-UHFFFAOYSA-N 1 1 307.328 3.866 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CF)C2)c(C(F)(F)F)c1 ZINC000880238925 1034259278 /nfs/dbraw/zinc/25/92/78/1034259278.db2.gz YZYXWSMZTFJUBY-LBPRGKRZSA-N 1 1 300.299 3.759 20 30 DHEDMO Cc1ccccc1C[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000042104268 1034284317 /nfs/dbraw/zinc/28/43/17/1034284317.db2.gz TVBFHZUDMWIGBO-UHFFFAOYSA-N 1 1 305.425 3.579 20 30 DHEDMO N#CCc1cccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001174394102 1034318700 /nfs/dbraw/zinc/31/87/00/1034318700.db2.gz FYXXEMWGKCKZSP-UHFFFAOYSA-N 1 1 303.409 3.954 20 30 DHEDMO N#CCc1ccccc1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174395422 1034324155 /nfs/dbraw/zinc/32/41/55/1034324155.db2.gz VYZHFCYHPKBSFM-UHFFFAOYSA-N 1 1 303.409 3.954 20 30 DHEDMO CCCCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000120150579 1034398607 /nfs/dbraw/zinc/39/86/07/1034398607.db2.gz JEFYKNJUSGGKJO-IRXDYDNUSA-N 1 1 311.514 3.719 20 30 DHEDMO N#Cc1ccc(-c2ccn(C[N@@H+](CC3CC3)CC3CCC3)n2)cc1 ZINC000794708461 1034413739 /nfs/dbraw/zinc/41/37/39/1034413739.db2.gz ATJUHULMMHERPK-UHFFFAOYSA-N 1 1 320.440 3.891 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2coc(C#N)c2)cc1 ZINC000864899170 1034467922 /nfs/dbraw/zinc/46/79/22/1034467922.db2.gz FMKLQDUQJNATDI-AWEZNQCLSA-N 1 1 323.396 3.778 20 30 DHEDMO C=CC[N@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)C(C)(C)C ZINC001174641091 1034524749 /nfs/dbraw/zinc/52/47/49/1034524749.db2.gz BDSKHZUOMGLRLM-UHFFFAOYSA-N 1 1 304.825 3.707 20 30 DHEDMO C=CC[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)C(C)(C)C ZINC001174641091 1034524756 /nfs/dbraw/zinc/52/47/56/1034524756.db2.gz BDSKHZUOMGLRLM-UHFFFAOYSA-N 1 1 304.825 3.707 20 30 DHEDMO CC[N@@H+](CCc1nccs1)Cc1ccc(Cl)cc1C#N ZINC000187327449 1034699707 /nfs/dbraw/zinc/69/97/07/1034699707.db2.gz SZLACNMVMHIOGB-UHFFFAOYSA-N 1 1 305.834 3.733 20 30 DHEDMO C=C(C)C[N@@H+](C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000481269849 1034704747 /nfs/dbraw/zinc/70/47/47/1034704747.db2.gz PRTYTBWNPGLXGJ-MRXNPFEDSA-N 1 1 308.425 3.663 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000481289949 1034727510 /nfs/dbraw/zinc/72/75/10/1034727510.db2.gz VQKRNPMENQPLLL-NSHDSACASA-N 1 1 300.324 3.540 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000481289949 1034727519 /nfs/dbraw/zinc/72/75/19/1034727519.db2.gz VQKRNPMENQPLLL-NSHDSACASA-N 1 1 300.324 3.540 20 30 DHEDMO CN(C)c1c(F)c(F)ccc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000600109472 1034738991 /nfs/dbraw/zinc/73/89/91/1034738991.db2.gz KTTPVLXNJGLDGT-UHFFFAOYSA-N 1 1 315.367 3.534 20 30 DHEDMO CN(C)c1c(F)c(F)ccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000600109472 1034739003 /nfs/dbraw/zinc/73/90/03/1034739003.db2.gz KTTPVLXNJGLDGT-UHFFFAOYSA-N 1 1 315.367 3.534 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000481321778 1034743593 /nfs/dbraw/zinc/74/35/93/1034743593.db2.gz RYCAUFGQJJATCH-IBGZPJMESA-N 1 1 318.436 3.681 20 30 DHEDMO C[C@@H](O)C[N@@H+](CCCCC#N)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441252888 1034743831 /nfs/dbraw/zinc/74/38/31/1034743831.db2.gz BZMZLRRPQIVPOG-HUUCEWRRSA-N 1 1 308.853 3.648 20 30 DHEDMO C[N@@H+]1CCc2c(C#N)c(Nc3c(F)ccc(F)c3F)sc2C1 ZINC001175027033 1034758213 /nfs/dbraw/zinc/75/82/13/1034758213.db2.gz ZUQNDXZRKNSBKO-UHFFFAOYSA-N 1 1 323.343 3.769 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3c(F)ccc(F)c3F)sc2C1 ZINC001175027033 1034758226 /nfs/dbraw/zinc/75/82/26/1034758226.db2.gz ZUQNDXZRKNSBKO-UHFFFAOYSA-N 1 1 323.343 3.769 20 30 DHEDMO C=C(CC)C[N@@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000773451038 1034770999 /nfs/dbraw/zinc/77/09/99/1034770999.db2.gz BILFNQNDKNCAEM-UHFFFAOYSA-N 1 1 308.466 3.817 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OCC)n1 ZINC000600155134 1034774548 /nfs/dbraw/zinc/77/45/48/1034774548.db2.gz CQBRCHHLTHVMLV-UHFFFAOYSA-N 1 1 324.424 3.837 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)OCC)n1 ZINC000600155134 1034774559 /nfs/dbraw/zinc/77/45/59/1034774559.db2.gz CQBRCHHLTHVMLV-UHFFFAOYSA-N 1 1 324.424 3.837 20 30 DHEDMO N#Cc1cccc(COc2cccc(C[N@H+]3C[C@@H]4C[C@@H]4C3)c2)c1 ZINC000600192763 1034799690 /nfs/dbraw/zinc/79/96/90/1034799690.db2.gz RPCUWLIONHWVAB-KDURUIRLSA-N 1 1 304.393 3.589 20 30 DHEDMO CC#CC[N@H+](C)Cc1cccc(Br)c1OC(F)F ZINC000555751986 1034885133 /nfs/dbraw/zinc/88/51/33/1034885133.db2.gz VNXHHKXPMJDYBF-UHFFFAOYSA-N 1 1 318.161 3.506 20 30 DHEDMO CC#CC[N@@H+](C)Cc1cccc(Br)c1OC(F)F ZINC000555751986 1034885141 /nfs/dbraw/zinc/88/51/41/1034885141.db2.gz VNXHHKXPMJDYBF-UHFFFAOYSA-N 1 1 318.161 3.506 20 30 DHEDMO Cc1cncc([C@@H]2CCC[N@H+]2CCCOc2ccc(C#N)cc2)c1 ZINC001175551761 1035039418 /nfs/dbraw/zinc/03/94/18/1035039418.db2.gz LMRRTBRORNFFJP-FQEVSTJZSA-N 1 1 321.424 3.868 20 30 DHEDMO Cc1cncc([C@H]2CCC[N@H+]2CCCOc2ccc(C#N)cc2)c1 ZINC001175551763 1035040200 /nfs/dbraw/zinc/04/02/00/1035040200.db2.gz LMRRTBRORNFFJP-HXUWFJFHSA-N 1 1 321.424 3.868 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000159864490 1035099440 /nfs/dbraw/zinc/09/94/40/1035099440.db2.gz KKLDUYFEEDPYNM-UHFFFAOYSA-N 1 1 323.440 3.677 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C(C)(C)C)Cc1ccc(C#N)o1 ZINC000482455054 1035111986 /nfs/dbraw/zinc/11/19/86/1035111986.db2.gz PIRVPIVIOOZQIE-UHFFFAOYSA-N 1 1 312.413 3.960 20 30 DHEDMO C=CCC(CC=C)C(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000160131386 1035140293 /nfs/dbraw/zinc/14/02/93/1035140293.db2.gz NOQTVJZVNGQGPU-SFHVURJKSA-N 1 1 310.441 3.766 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCc2ccc(Cl)cc21 ZINC000593066582 1035146466 /nfs/dbraw/zinc/14/64/66/1035146466.db2.gz NZCKAHUNZOYQON-ZDUSSCGKSA-N 1 1 311.816 3.768 20 30 DHEDMO CC(C)(C)OC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001176007950 1035183605 /nfs/dbraw/zinc/18/36/05/1035183605.db2.gz CYIDBAZWTBHPQY-MRXNPFEDSA-N 1 1 305.849 3.971 20 30 DHEDMO CC(C)(C)OC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC001176007950 1035183608 /nfs/dbraw/zinc/18/36/08/1035183608.db2.gz CYIDBAZWTBHPQY-MRXNPFEDSA-N 1 1 305.849 3.971 20 30 DHEDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000482844666 1035188354 /nfs/dbraw/zinc/18/83/54/1035188354.db2.gz PKDKALDIUPMMKN-GFCCVEGCSA-N 1 1 307.825 3.518 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000482904186 1035195684 /nfs/dbraw/zinc/19/56/84/1035195684.db2.gz PFZTVTGCXCENBD-SFHVURJKSA-N 1 1 318.436 3.777 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000482904186 1035195685 /nfs/dbraw/zinc/19/56/85/1035195685.db2.gz PFZTVTGCXCENBD-SFHVURJKSA-N 1 1 318.436 3.777 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000482911192 1035197428 /nfs/dbraw/zinc/19/74/28/1035197428.db2.gz CMIYQFMOGLXTOU-SFHVURJKSA-N 1 1 316.420 3.553 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000482911192 1035197432 /nfs/dbraw/zinc/19/74/32/1035197432.db2.gz CMIYQFMOGLXTOU-SFHVURJKSA-N 1 1 316.420 3.553 20 30 DHEDMO C=CCCC[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001176187356 1035215150 /nfs/dbraw/zinc/21/51/50/1035215150.db2.gz CKPJIQDGNMRCEL-WMZOPIPTSA-N 1 1 300.446 3.542 20 30 DHEDMO C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc(C#N)cc1 ZINC000160735657 1035225640 /nfs/dbraw/zinc/22/56/40/1035225640.db2.gz SXLZXCIMPUKYMV-ZDUSSCGKSA-N 1 1 320.421 3.928 20 30 DHEDMO C#CC[N@H+](Cc1ccc(SC(=O)N(C)C)cc1)C(C)(C)C ZINC001176281707 1035233360 /nfs/dbraw/zinc/23/33/60/1035233360.db2.gz OZZHOGOVUOVYLY-UHFFFAOYSA-N 1 1 304.459 3.694 20 30 DHEDMO C=CCCCCCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483170967 1035238090 /nfs/dbraw/zinc/23/80/90/1035238090.db2.gz HRFRLXPYIOHGQP-KRWDZBQOSA-N 1 1 306.494 3.846 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000160806480 1035240796 /nfs/dbraw/zinc/24/07/96/1035240796.db2.gz ZYFVIZSWHGYWDI-KRWDZBQOSA-N 1 1 324.399 3.736 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000160806480 1035240801 /nfs/dbraw/zinc/24/08/01/1035240801.db2.gz ZYFVIZSWHGYWDI-KRWDZBQOSA-N 1 1 324.399 3.736 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)o1)Cc1ccc(Br)cc1 ZINC000160798844 1035240848 /nfs/dbraw/zinc/24/08/48/1035240848.db2.gz GBSKJRCZFRUEHC-UHFFFAOYSA-N 1 1 305.175 3.546 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(Br)cc1 ZINC000160798844 1035240857 /nfs/dbraw/zinc/24/08/57/1035240857.db2.gz GBSKJRCZFRUEHC-UHFFFAOYSA-N 1 1 305.175 3.546 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000160806354 1035242258 /nfs/dbraw/zinc/24/22/58/1035242258.db2.gz ZYFVIZSWHGYWDI-QGZVFWFLSA-N 1 1 324.399 3.736 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000160806354 1035242261 /nfs/dbraw/zinc/24/22/61/1035242261.db2.gz ZYFVIZSWHGYWDI-QGZVFWFLSA-N 1 1 324.399 3.736 20 30 DHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483270844 1035248640 /nfs/dbraw/zinc/24/86/40/1035248640.db2.gz NTNUDKVRPCTJQD-IRXDYDNUSA-N 1 1 314.429 3.530 20 30 DHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483270844 1035248650 /nfs/dbraw/zinc/24/86/50/1035248650.db2.gz NTNUDKVRPCTJQD-IRXDYDNUSA-N 1 1 314.429 3.530 20 30 DHEDMO Cn1cc(C[N@H+]2CCCC[C@@H]2CCc2ccccc2)cc1C#N ZINC000483265529 1035249475 /nfs/dbraw/zinc/24/94/75/1035249475.db2.gz TWMDONDWLSQFKU-LJQANCHMSA-N 1 1 307.441 3.884 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccc(OC)c(O)c2)cc1 ZINC000160890211 1035265144 /nfs/dbraw/zinc/26/51/44/1035265144.db2.gz POYUUXKEHLAMJJ-UHFFFAOYSA-N 1 1 313.397 3.598 20 30 DHEDMO C=CC[N@@H+](CCOC)Cc1cc(Cl)cc(Cl)c1OC ZINC000483423534 1035268097 /nfs/dbraw/zinc/26/80/97/1035268097.db2.gz ZNBPJFWZBXNEPX-UHFFFAOYSA-N 1 1 304.217 3.636 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1cc(Cl)cc(Cl)c1OC ZINC000483423534 1035268100 /nfs/dbraw/zinc/26/81/00/1035268100.db2.gz ZNBPJFWZBXNEPX-UHFFFAOYSA-N 1 1 304.217 3.636 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1F ZINC000483966308 1035311605 /nfs/dbraw/zinc/31/16/05/1035311605.db2.gz SZQHEMARWQRITG-MRXNPFEDSA-N 1 1 312.363 3.901 20 30 DHEDMO C=CCN(C)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000161380167 1035327409 /nfs/dbraw/zinc/32/74/09/1035327409.db2.gz FITAVGMSBZCAJN-UHFFFAOYSA-N 1 1 308.425 3.577 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)cc1 ZINC001176927668 1035337357 /nfs/dbraw/zinc/33/73/57/1035337357.db2.gz VOUZNCBTHBGTAJ-QZTJIDSGSA-N 1 1 303.833 3.725 20 30 DHEDMO C=CCCCC[N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176971349 1035340207 /nfs/dbraw/zinc/34/02/07/1035340207.db2.gz OSDROYCOOGVQSW-UHFFFAOYSA-N 1 1 310.482 3.922 20 30 DHEDMO C=CC[N@@H+](Cc1cn(-c2ccccc2)nn1)CC1CCCCC1 ZINC000484516748 1035356746 /nfs/dbraw/zinc/35/67/46/1035356746.db2.gz QLLHKZICXWVMHH-UHFFFAOYSA-N 1 1 310.445 3.836 20 30 DHEDMO C=CC[N@H+](Cc1cn(-c2ccccc2)nn1)CC1CCCCC1 ZINC000484516748 1035356750 /nfs/dbraw/zinc/35/67/50/1035356750.db2.gz QLLHKZICXWVMHH-UHFFFAOYSA-N 1 1 310.445 3.836 20 30 DHEDMO C=C1CCC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001177326479 1035363712 /nfs/dbraw/zinc/36/37/12/1035363712.db2.gz GKFWYGYFLHCYSL-KRWDZBQOSA-N 1 1 304.478 3.504 20 30 DHEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)CCCCCCCC)C1 ZINC001177760061 1035390953 /nfs/dbraw/zinc/39/09/53/1035390953.db2.gz XBEIXYLFPNMSAU-MSOLQXFVSA-N 1 1 306.494 3.587 20 30 DHEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CCCCCCCC)C1 ZINC001177760061 1035390957 /nfs/dbraw/zinc/39/09/57/1035390957.db2.gz XBEIXYLFPNMSAU-MSOLQXFVSA-N 1 1 306.494 3.587 20 30 DHEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)CCCCCCCC)C1 ZINC001177760064 1035391457 /nfs/dbraw/zinc/39/14/57/1035391457.db2.gz XBEIXYLFPNMSAU-ZWKOTPCHSA-N 1 1 306.494 3.587 20 30 DHEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CCCCCCCC)C1 ZINC001177760064 1035391460 /nfs/dbraw/zinc/39/14/60/1035391460.db2.gz XBEIXYLFPNMSAU-ZWKOTPCHSA-N 1 1 306.494 3.587 20 30 DHEDMO C=CCCC[N@H+](CCOC)Cc1sccc1Br ZINC000484927878 1035424608 /nfs/dbraw/zinc/42/46/08/1035424608.db2.gz PCOLLZGXQZCMTJ-UHFFFAOYSA-N 1 1 318.280 3.925 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cnc3ccsc3c2)no1 ZINC000904611897 1035435949 /nfs/dbraw/zinc/43/59/49/1035435949.db2.gz FZXTUSVRCAYWFP-LLVKDONJSA-N 1 1 300.387 3.702 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(-n3cccn3)c(C)c2)no1 ZINC000904731491 1035450265 /nfs/dbraw/zinc/45/02/65/1035450265.db2.gz CEYKWEOJZCLUSI-OAHLLOKOSA-N 1 1 323.400 3.587 20 30 DHEDMO COc1cc(C)[nH+]c(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000535282589 1035537258 /nfs/dbraw/zinc/53/72/58/1035537258.db2.gz CXSMUGMXFDNECA-WOJBJXKFSA-N 1 1 321.424 3.670 20 30 DHEDMO C=CCCn1cc(C[N@H+]2CC[C@H](c3ccccc3)[C@@H](CC)C2)nn1 ZINC001179962542 1035563210 /nfs/dbraw/zinc/56/32/10/1035563210.db2.gz PLTXWFFPYGCDLY-PXNSSMCTSA-N 1 1 324.472 3.870 20 30 DHEDMO C#Cc1ccc(CN2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001180143319 1035599217 /nfs/dbraw/zinc/59/92/17/1035599217.db2.gz VWQDYAQKLKHBSN-OALUTQOASA-N 1 1 318.464 3.763 20 30 DHEDMO C#Cc1ccc(C[N@H+]2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1 ZINC001180143319 1035599225 /nfs/dbraw/zinc/59/92/25/1035599225.db2.gz VWQDYAQKLKHBSN-OALUTQOASA-N 1 1 318.464 3.763 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1 ZINC001180143319 1035599233 /nfs/dbraw/zinc/59/92/33/1035599233.db2.gz VWQDYAQKLKHBSN-OALUTQOASA-N 1 1 318.464 3.763 20 30 DHEDMO CC#CCN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000535405650 1035608378 /nfs/dbraw/zinc/60/83/78/1035608378.db2.gz BQCNWBZPNUZIPX-UHFFFAOYSA-N 1 1 324.390 3.625 20 30 DHEDMO C#CC[N@H+](CC)C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001180280883 1035643026 /nfs/dbraw/zinc/64/30/26/1035643026.db2.gz OZRSPXZPKADTFW-OAHLLOKOSA-N 1 1 310.482 3.661 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCOc1ccc(F)cc1 ZINC001180437481 1035670264 /nfs/dbraw/zinc/67/02/64/1035670264.db2.gz ITVJWCNHJOZWGE-UHFFFAOYSA-N 1 1 312.388 3.825 20 30 DHEDMO CC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)[C@H]1C ZINC001193607059 1035675573 /nfs/dbraw/zinc/67/55/73/1035675573.db2.gz SIQPZVINGCTIDM-NWDGAFQWSA-N 1 1 307.235 3.941 20 30 DHEDMO CC[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)[C@H]1C ZINC001193607059 1035675576 /nfs/dbraw/zinc/67/55/76/1035675576.db2.gz SIQPZVINGCTIDM-NWDGAFQWSA-N 1 1 307.235 3.941 20 30 DHEDMO CCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC(C)C ZINC000491250285 1035707103 /nfs/dbraw/zinc/70/71/03/1035707103.db2.gz QZHYDHCVZNDWSY-UHFFFAOYSA-N 1 1 310.445 3.827 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CC3(CCC3)[C@H]2c2ccccc2)CCC1 ZINC000905956558 1035716288 /nfs/dbraw/zinc/71/62/88/1035716288.db2.gz KSEXCNLQFAVMKU-ZWKOTPCHSA-N 1 1 310.441 3.658 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2CC#Cc2ccccc2)cc1OC ZINC000191879728 1035741491 /nfs/dbraw/zinc/74/14/91/1035741491.db2.gz KONCNQSRMUHGMJ-LJQANCHMSA-N 1 1 321.420 3.892 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000192026039 1035748066 /nfs/dbraw/zinc/74/80/66/1035748066.db2.gz JYPQKXROMJZXAB-TZIWHRDSSA-N 1 1 310.485 3.625 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494645631 1035758324 /nfs/dbraw/zinc/75/83/24/1035758324.db2.gz CUXMQBRZRXRMNL-SFHVURJKSA-N 1 1 312.457 3.879 20 30 DHEDMO C[C@H](NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000539607482 1035791381 /nfs/dbraw/zinc/79/13/81/1035791381.db2.gz KAMHBTSXCNUCLG-KKUMJFAQSA-N 1 1 303.425 3.611 20 30 DHEDMO C[C@H](NC[C@H](C)[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000539607482 1035791394 /nfs/dbraw/zinc/79/13/94/1035791394.db2.gz KAMHBTSXCNUCLG-KKUMJFAQSA-N 1 1 303.425 3.611 20 30 DHEDMO C[C@@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000539608558 1035791470 /nfs/dbraw/zinc/79/14/70/1035791470.db2.gz RFVKLECFLCDGIC-OWCLPIDISA-N 1 1 317.452 3.716 20 30 DHEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000470954727 1035792904 /nfs/dbraw/zinc/79/29/04/1035792904.db2.gz BQVQDCPQYRMKET-WFASDCNBSA-N 1 1 312.335 3.600 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000539817767 1035871735 /nfs/dbraw/zinc/87/17/35/1035871735.db2.gz NERVYZOYRKVPIA-WMZOPIPTSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000539817767 1035871752 /nfs/dbraw/zinc/87/17/52/1035871752.db2.gz NERVYZOYRKVPIA-WMZOPIPTSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)cc1 ZINC000539817767 1035871755 /nfs/dbraw/zinc/87/17/55/1035871755.db2.gz NERVYZOYRKVPIA-WMZOPIPTSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)cc1 ZINC000539817767 1035871768 /nfs/dbraw/zinc/87/17/68/1035871768.db2.gz NERVYZOYRKVPIA-WMZOPIPTSA-N 1 1 302.462 3.556 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc2[nH]cnc2c1 ZINC000539823250 1035880000 /nfs/dbraw/zinc/88/00/00/1035880000.db2.gz XMFNOYJWGOSPHY-FXAWDEMLSA-N 1 1 316.408 3.835 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC000539823250 1035880012 /nfs/dbraw/zinc/88/00/12/1035880012.db2.gz XMFNOYJWGOSPHY-FXAWDEMLSA-N 1 1 316.408 3.835 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC000539823250 1035880026 /nfs/dbraw/zinc/88/00/26/1035880026.db2.gz XMFNOYJWGOSPHY-FXAWDEMLSA-N 1 1 316.408 3.835 20 30 DHEDMO C=CCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000539837968 1035880334 /nfs/dbraw/zinc/88/03/34/1035880334.db2.gz GFIDHQVTMJAALT-FUHWJXTLSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000539837968 1035880356 /nfs/dbraw/zinc/88/03/56/1035880356.db2.gz GFIDHQVTMJAALT-FUHWJXTLSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1cccc(C[N@@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)c1 ZINC000539837968 1035880412 /nfs/dbraw/zinc/88/04/12/1035880412.db2.gz GFIDHQVTMJAALT-FUHWJXTLSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1cccc(C[N@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)c1 ZINC000539837968 1035880435 /nfs/dbraw/zinc/88/04/35/1035880435.db2.gz GFIDHQVTMJAALT-FUHWJXTLSA-N 1 1 302.462 3.556 20 30 DHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC4(C3)CCCCC4)o2)c1 ZINC000075768422 1036028528 /nfs/dbraw/zinc/02/85/28/1036028528.db2.gz XYBSLAAXKUTMDO-UHFFFAOYSA-N 1 1 322.412 3.764 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC001181879464 1036030571 /nfs/dbraw/zinc/03/05/71/1036030571.db2.gz HYOLGVMGVXJVFG-QGZVFWFLSA-N 1 1 321.848 3.599 20 30 DHEDMO C[C@@H](CCc1ccccc1)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761757248 1036084183 /nfs/dbraw/zinc/08/41/83/1036084183.db2.gz QGHCJFJXNCAZQH-LAUBAEHRSA-N 1 1 320.436 3.953 20 30 DHEDMO C#CC[N@H+](Cc1cccc(NC(C)=O)c1)[C@@H]1CCc2ccccc21 ZINC000101544849 1036097620 /nfs/dbraw/zinc/09/76/20/1036097620.db2.gz CBQCEXMRYUHGHA-OAQYLSRUSA-N 1 1 318.420 3.768 20 30 DHEDMO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)N1CCC(C)CC1 ZINC000540597869 1036111995 /nfs/dbraw/zinc/11/19/95/1036111995.db2.gz XWIYAYSDIFAAOC-YLJYHZDGSA-N 1 1 313.489 3.965 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000540826801 1036163946 /nfs/dbraw/zinc/16/39/46/1036163946.db2.gz PCWGEIFKPLQRPA-GOSISDBHSA-N 1 1 303.833 3.583 20 30 DHEDMO C=CC[C@H](C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000495009780 1036183855 /nfs/dbraw/zinc/18/38/55/1036183855.db2.gz VGZDUDREWVAAAF-LNLFQRSKSA-N 1 1 314.473 3.583 20 30 DHEDMO N#Cc1cc(-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)ccc1F ZINC001250635837 1036233553 /nfs/dbraw/zinc/23/35/53/1036233553.db2.gz JAHZXLQKVUWFGK-UHFFFAOYSA-N 1 1 322.383 3.686 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001195464481 1036254904 /nfs/dbraw/zinc/25/49/04/1036254904.db2.gz VNAUSSPIWYXIIB-LRDDRELGSA-N 1 1 312.240 3.762 20 30 DHEDMO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000090117789 1036260336 /nfs/dbraw/zinc/26/03/36/1036260336.db2.gz IYCLGVOGIFVQIO-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO C#C[C@H]1CCCN(CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001195558819 1036288132 /nfs/dbraw/zinc/28/81/32/1036288132.db2.gz QUPLHRFNOWDSNL-FQEVSTJZSA-N 1 1 324.512 3.676 20 30 DHEDMO CCC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000541348498 1036306352 /nfs/dbraw/zinc/30/63/52/1036306352.db2.gz PCVWNWQKLKBLLG-QRVBRYPASA-N 1 1 312.457 3.778 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000541390020 1036312948 /nfs/dbraw/zinc/31/29/48/1036312948.db2.gz UCZQYWSYAFRBMO-SFHVURJKSA-N 1 1 306.409 3.865 20 30 DHEDMO C#CCOc1ccccc1CN[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925418224 1036324344 /nfs/dbraw/zinc/32/43/44/1036324344.db2.gz RYMWYBFINAFCNT-KRWDZBQOSA-N 1 1 322.452 3.611 20 30 DHEDMO C[C@H](NCc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272219331 1036335553 /nfs/dbraw/zinc/33/55/53/1036335553.db2.gz RPYKOEZJIVIXCF-UWJYYQICSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@H](NCc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272219331 1036335585 /nfs/dbraw/zinc/33/55/85/1036335585.db2.gz RPYKOEZJIVIXCF-UWJYYQICSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC(C)(C)C1 ZINC000541554359 1036360459 /nfs/dbraw/zinc/36/04/59/1036360459.db2.gz YVLTZRDKUNNUGD-OAHLLOKOSA-N 1 1 322.456 3.827 20 30 DHEDMO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)ccc1C#N ZINC000486732808 1036383328 /nfs/dbraw/zinc/38/33/28/1036383328.db2.gz SBUDADFIQFXWLG-OXQOHEQNSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)ccc1C#N ZINC000486732808 1036383346 /nfs/dbraw/zinc/38/33/46/1036383346.db2.gz SBUDADFIQFXWLG-OXQOHEQNSA-N 1 1 306.409 3.829 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+](Cc2c(Cl)n(C)nc2C(F)(F)F)C1 ZINC001195947112 1036401436 /nfs/dbraw/zinc/40/14/36/1036401436.db2.gz QOLHEOJTJGQQMP-JTQLQIEISA-N 1 1 321.774 3.880 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2c(Cl)n(C)nc2C(F)(F)F)C1 ZINC001195947112 1036401444 /nfs/dbraw/zinc/40/14/44/1036401444.db2.gz QOLHEOJTJGQQMP-JTQLQIEISA-N 1 1 321.774 3.880 20 30 DHEDMO CCC[C@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000541701336 1036408603 /nfs/dbraw/zinc/40/86/03/1036408603.db2.gz QDOOANXKGWCIEN-INIZCTEOSA-N 1 1 302.418 3.600 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC001182605880 1036410544 /nfs/dbraw/zinc/41/05/44/1036410544.db2.gz XTVXYAOJMBSONR-ZDUSSCGKSA-N 1 1 305.443 3.549 20 30 DHEDMO C[C@H](C#N)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000541763513 1036421248 /nfs/dbraw/zinc/42/12/48/1036421248.db2.gz OPSLPCNZZFYRQE-CQSZACIVSA-N 1 1 324.384 3.612 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(OC(F)(F)F)c1)[C@@H](C)COC ZINC001196048704 1036430832 /nfs/dbraw/zinc/43/08/32/1036430832.db2.gz YRBVOUXJQXSHMF-LBPRGKRZSA-N 1 1 303.324 3.608 20 30 DHEDMO CCCCCCC[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC001196091746 1036438546 /nfs/dbraw/zinc/43/85/46/1036438546.db2.gz BJWCTFAYLCRGLK-UHFFFAOYSA-N 1 1 310.482 3.946 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(C)[nH]c(C(=O)OCC)c2C)C1 ZINC001182795678 1036446290 /nfs/dbraw/zinc/44/62/90/1036446290.db2.gz JDLDWQIEICMTAT-OAHLLOKOSA-N 1 1 304.434 3.596 20 30 DHEDMO CCCCCCCOc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1 ZINC001204368539 1036522778 /nfs/dbraw/zinc/52/27/78/1036522778.db2.gz GWMNLDAKZDNYPL-LJQANCHMSA-N 1 1 323.452 3.942 20 30 DHEDMO CCCCCCCOc1ccc(C[N@H+]2CC[C@](F)(CO)C2)cc1 ZINC001204368539 1036522800 /nfs/dbraw/zinc/52/28/00/1036522800.db2.gz GWMNLDAKZDNYPL-LJQANCHMSA-N 1 1 323.452 3.942 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)C1 ZINC001196441241 1036525899 /nfs/dbraw/zinc/52/58/99/1036525899.db2.gz KPXHEPLLHUIGCG-CYBMUJFWSA-N 1 1 303.356 3.549 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC001196506789 1036550627 /nfs/dbraw/zinc/55/06/27/1036550627.db2.gz UAOVANXHWKXMHN-OXJNMPFZSA-N 1 1 305.425 3.830 20 30 DHEDMO C#CC[N@@H+](Cc1cc2nc(Cl)ccc2s1)C1CSC1 ZINC001183418644 1036592477 /nfs/dbraw/zinc/59/24/77/1036592477.db2.gz BQMAFBKVXXUJGY-UHFFFAOYSA-N 1 1 308.859 3.500 20 30 DHEDMO C#CC[N@H+](Cc1cc2nc(Cl)ccc2s1)C1CSC1 ZINC001183418644 1036592487 /nfs/dbraw/zinc/59/24/87/1036592487.db2.gz BQMAFBKVXXUJGY-UHFFFAOYSA-N 1 1 308.859 3.500 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(F)cc1 ZINC000491631551 1036616112 /nfs/dbraw/zinc/61/61/12/1036616112.db2.gz OFAOVCVEAYVGGH-IFXJQAMLSA-N 1 1 308.356 3.581 20 30 DHEDMO C#C[C@H]([NH2+]Cc1cc(OC)c(OC)cc1C)c1ccc(F)cc1 ZINC000491750916 1036636982 /nfs/dbraw/zinc/63/69/82/1036636982.db2.gz VXDFSNXKLAERHW-KRWDZBQOSA-N 1 1 313.372 3.615 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000487303431 1036653299 /nfs/dbraw/zinc/65/32/99/1036653299.db2.gz APNNRPGJLJFAIS-RHSMWYFYSA-N 1 1 300.446 3.675 20 30 DHEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1O ZINC000495453630 1036656997 /nfs/dbraw/zinc/65/69/97/1036656997.db2.gz DPCSQXOAJBGWTJ-QZTJIDSGSA-N 1 1 314.473 3.717 20 30 DHEDMO C=CC[C@@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC001183754959 1036670576 /nfs/dbraw/zinc/67/05/76/1036670576.db2.gz BLJNCAPSPCGOEF-UXHICEINSA-N 1 1 320.436 3.695 20 30 DHEDMO C=CC[C@@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001183754959 1036670586 /nfs/dbraw/zinc/67/05/86/1036670586.db2.gz BLJNCAPSPCGOEF-UXHICEINSA-N 1 1 320.436 3.695 20 30 DHEDMO C=CCCCCC[C@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)n[nH]1 ZINC001184002793 1036729222 /nfs/dbraw/zinc/72/92/22/1036729222.db2.gz UDXUUUQJLMYVAT-WDEREUQCSA-N 1 1 304.360 3.999 20 30 DHEDMO CCCCCCCC[C@@H]1C[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C)C2 ZINC001273739152 1036709858 /nfs/dbraw/zinc/70/98/58/1036709858.db2.gz YJLAVLODJOAMEM-IAGOWNOFSA-N 1 1 306.494 3.537 20 30 DHEDMO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)n[nH]1 ZINC001184002791 1036726404 /nfs/dbraw/zinc/72/64/04/1036726404.db2.gz UDXUUUQJLMYVAT-MNOVXSKESA-N 1 1 304.360 3.999 20 30 DHEDMO CN(CC#Cc1ccccc1Cl)CCCC[NH+]1CCCCC1 ZINC001197284769 1036736024 /nfs/dbraw/zinc/73/60/24/1036736024.db2.gz LLXHGXSOSYXYLY-UHFFFAOYSA-N 1 1 318.892 3.889 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000487822021 1036739125 /nfs/dbraw/zinc/73/91/25/1036739125.db2.gz PBZNGDGNEACNSK-AWEZNQCLSA-N 1 1 310.397 3.768 20 30 DHEDMO C[C@H](CN=Cc1cc2ccccc2[nH]c1=O)[N@H+]1CCCC[C@H]1C ZINC000915271132 1036754106 /nfs/dbraw/zinc/75/41/06/1036754106.db2.gz LBCLZQLDPBXZOL-YFGIFFDYSA-N 1 1 311.429 3.622 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000492265907 1036809718 /nfs/dbraw/zinc/80/97/18/1036809718.db2.gz LTGMJMKLPJHWKW-HZPDHXFCSA-N 1 1 320.864 3.804 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000492265907 1036809729 /nfs/dbraw/zinc/80/97/29/1036809729.db2.gz LTGMJMKLPJHWKW-HZPDHXFCSA-N 1 1 320.864 3.804 20 30 DHEDMO Cc1cc(C[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)ccc1C#N ZINC000488110039 1036853601 /nfs/dbraw/zinc/85/36/01/1036853601.db2.gz LQTCAMAQTICKKN-MGPUTAFESA-N 1 1 306.409 3.691 20 30 DHEDMO C[C@@H]([NH2+]Cc1nc2c(s1)C[C@H](C)CC2)c1ccc(C#N)cc1 ZINC000152092176 1036863443 /nfs/dbraw/zinc/86/34/43/1036863443.db2.gz HOOAXLUDCXLOSS-CHWSQXEVSA-N 1 1 311.454 3.990 20 30 DHEDMO Cc1cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488117539 1036866525 /nfs/dbraw/zinc/86/65/25/1036866525.db2.gz QBDMJDYFPSPPMQ-OAQYLSRUSA-N 1 1 319.452 3.573 20 30 DHEDMO Cc1cc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000488117539 1036866549 /nfs/dbraw/zinc/86/65/49/1036866549.db2.gz QBDMJDYFPSPPMQ-OAQYLSRUSA-N 1 1 319.452 3.573 20 30 DHEDMO Cc1cc(C[N@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000488117539 1036866571 /nfs/dbraw/zinc/86/65/71/1036866571.db2.gz QBDMJDYFPSPPMQ-OAQYLSRUSA-N 1 1 319.452 3.573 20 30 DHEDMO N#Cc1c(N)sc2c1CC[N@H+](CCCCc1ccccc1)C2 ZINC001198414487 1037016861 /nfs/dbraw/zinc/01/68/61/1037016861.db2.gz TXBGDEJACWZDIV-UHFFFAOYSA-N 1 1 311.454 3.583 20 30 DHEDMO C=C(C)C[N@@H+](Cc1nc2ccc(OC)nc2[nH]1)Cc1ccccc1 ZINC000348223428 1037053371 /nfs/dbraw/zinc/05/33/71/1037053371.db2.gz HBOIUWCGGVHPEM-UHFFFAOYSA-N 1 1 322.412 3.545 20 30 DHEDMO C=C(C)C[N@H+](Cc1nc2ccc(OC)nc2[nH]1)Cc1ccccc1 ZINC000348223428 1037053398 /nfs/dbraw/zinc/05/33/98/1037053398.db2.gz HBOIUWCGGVHPEM-UHFFFAOYSA-N 1 1 322.412 3.545 20 30 DHEDMO C=C[C@@H]1CCCCN1C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000488882576 1037169800 /nfs/dbraw/zinc/16/98/00/1037169800.db2.gz PJNQQSGEWNQSNV-GOSISDBHSA-N 1 1 312.457 3.852 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000489422343 1037425974 /nfs/dbraw/zinc/42/59/74/1037425974.db2.gz DTDFCVJSIZODQI-CQSZACIVSA-N 1 1 303.793 3.931 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000489422343 1037425978 /nfs/dbraw/zinc/42/59/78/1037425978.db2.gz DTDFCVJSIZODQI-CQSZACIVSA-N 1 1 303.793 3.931 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000929806480 1037512774 /nfs/dbraw/zinc/51/27/74/1037512774.db2.gz BBNFCRBCHBJMDA-SJJHQCBESA-N 1 1 318.486 3.966 20 30 DHEDMO C=CCOc1ccccc1CNc1ccc(-n2cc[nH+]c2C)nc1 ZINC000324613198 1037559250 /nfs/dbraw/zinc/55/92/50/1037559250.db2.gz LKLLSEZDOBDZHQ-UHFFFAOYSA-N 1 1 320.396 3.753 20 30 DHEDMO c1ccc(C[N@H+]2CCC(N=Nc3cccc4ncccc34)C2)cc1 ZINC000915964796 1037634724 /nfs/dbraw/zinc/63/47/24/1037634724.db2.gz OVELLFAPYOLJMA-UHFFFAOYSA-N 1 1 316.408 3.909 20 30 DHEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](CC1CCCCC1)C2 ZINC001201390553 1037649101 /nfs/dbraw/zinc/64/91/01/1037649101.db2.gz XTJHAUTUKPTSED-MOPGFXCFSA-N 1 1 307.478 3.640 20 30 DHEDMO C=C(C)C[N@H+](CCOC)Cc1ccc(Br)s1 ZINC000494219085 1037671303 /nfs/dbraw/zinc/67/13/03/1037671303.db2.gz HEKBKSXREPFXAG-UHFFFAOYSA-N 1 1 304.253 3.535 20 30 DHEDMO N#Cc1ncccc1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201469778 1037690658 /nfs/dbraw/zinc/69/06/58/1037690658.db2.gz AJVQGMYVKDVRLS-MSOLQXFVSA-N 1 1 316.408 3.686 20 30 DHEDMO Cc1cc(C)c(N[NH+]=Cc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000916339151 1037740093 /nfs/dbraw/zinc/74/00/93/1037740093.db2.gz FBBAFVOJCDMUPU-UHFFFAOYSA-N 1 1 323.440 3.894 20 30 DHEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C[C@@H](C)CCC)C2)C1 ZINC001201539462 1037744455 /nfs/dbraw/zinc/74/44/55/1037744455.db2.gz VWCQTUWTJYZKLK-FUHWJXTLSA-N 1 1 308.466 3.533 20 30 DHEDMO Cc1ccccc1C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763398115 1037816096 /nfs/dbraw/zinc/81/60/96/1037816096.db2.gz QCLZYCJSVQRXTA-HXUWFJFHSA-N 1 1 306.409 3.565 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000763411523 1037829131 /nfs/dbraw/zinc/82/91/31/1037829131.db2.gz AACCLYJPDNCRJV-WOJBJXKFSA-N 1 1 324.399 3.958 20 30 DHEDMO Cc1cc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)ccc1C#N ZINC000488162288 1037849815 /nfs/dbraw/zinc/84/98/15/1037849815.db2.gz WTCIITHQYNLDLF-FQEVSTJZSA-N 1 1 305.425 3.943 20 30 DHEDMO CCCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001201761456 1037883626 /nfs/dbraw/zinc/88/36/26/1037883626.db2.gz FZUCAJNYVDKMNS-PHZGNYQRSA-N 1 1 310.482 3.659 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC001201762455 1037884037 /nfs/dbraw/zinc/88/40/37/1037884037.db2.gz LRJDHBOEWWWGSB-LJQANCHMSA-N 1 1 306.494 3.681 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001201762670 1037884253 /nfs/dbraw/zinc/88/42/53/1037884253.db2.gz QRJDUDWNSNGUHP-GOSISDBHSA-N 1 1 319.493 3.712 20 30 DHEDMO CCCCCCC[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C ZINC001201762740 1037885156 /nfs/dbraw/zinc/88/51/56/1037885156.db2.gz SFQBLRQBLOWRHV-JYJNAYRXSA-N 1 1 310.482 3.944 20 30 DHEDMO Cc1c2c(nc(SCC[C@@H]3CCCC[N@@H+]3C)c1C#N)CCC2 ZINC001188400696 1037900052 /nfs/dbraw/zinc/90/00/52/1037900052.db2.gz OMYQMTXNVWECJZ-AWEZNQCLSA-N 1 1 315.486 3.717 20 30 DHEDMO CCCCCCCC[N@H+]1CCN(CCOC)c2ncccc2C1 ZINC001201814162 1037900994 /nfs/dbraw/zinc/90/09/94/1037900994.db2.gz MNCCCEYHWNOZBW-UHFFFAOYSA-N 1 1 319.493 3.711 20 30 DHEDMO CCCCCCCC[N@@H+]1Cc2cn(C)nc2[C@H](COCC)C1 ZINC001201814685 1037901115 /nfs/dbraw/zinc/90/11/15/1037901115.db2.gz RSEPTARUCICSOF-KRWDZBQOSA-N 1 1 307.482 3.716 20 30 DHEDMO CCCCCCCCC[N@H+]1CCC(O)=C(C(=O)OCC)CC1 ZINC001201847702 1037921249 /nfs/dbraw/zinc/92/12/49/1037921249.db2.gz ZUUUUVNRBFICGF-INIZCTEOSA-N 1 1 311.466 3.581 20 30 DHEDMO C#C[C@H](C)[N@H+](C)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000775180204 1037937445 /nfs/dbraw/zinc/93/74/45/1037937445.db2.gz WDIABADHFRVXPD-LBPRGKRZSA-N 1 1 301.821 3.596 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000775180204 1037937459 /nfs/dbraw/zinc/93/74/59/1037937459.db2.gz WDIABADHFRVXPD-LBPRGKRZSA-N 1 1 301.821 3.596 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)c(F)c1 ZINC000586789917 1037970712 /nfs/dbraw/zinc/97/07/12/1037970712.db2.gz QJKPUZHSJKMECX-KRWDZBQOSA-N 1 1 312.392 3.832 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C)cc(OC)c1O ZINC000164100545 1038070824 /nfs/dbraw/zinc/07/08/24/1038070824.db2.gz MJNRRSKKZNGSJC-UHFFFAOYSA-N 1 1 324.424 3.993 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000126894670 1038134490 /nfs/dbraw/zinc/13/44/90/1038134490.db2.gz ZAISNXMSUXQFOE-QZTJIDSGSA-N 1 1 302.462 3.744 20 30 DHEDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])n1 ZINC000571527484 1038165060 /nfs/dbraw/zinc/16/50/60/1038165060.db2.gz XQIMVCLVRVXQLE-KRWDZBQOSA-N 1 1 322.368 3.507 20 30 DHEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])n1 ZINC000571527484 1038165066 /nfs/dbraw/zinc/16/50/66/1038165066.db2.gz XQIMVCLVRVXQLE-KRWDZBQOSA-N 1 1 322.368 3.507 20 30 DHEDMO COc1ccc(C[N@@H+](C)CC2CCC2)cc1OCCCC#N ZINC000127756697 1038212598 /nfs/dbraw/zinc/21/25/98/1038212598.db2.gz QYXPIEODFUBEOQ-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO CCc1[nH+]c(C)cn1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001189976868 1038236353 /nfs/dbraw/zinc/23/63/53/1038236353.db2.gz BFADCTKRMBUBOG-UHFFFAOYSA-N 1 1 308.303 3.704 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(-c2cccc(F)c2C)o1)[C@@H]1CCCO1 ZINC000775343908 1038254979 /nfs/dbraw/zinc/25/49/79/1038254979.db2.gz ZVFOGXGYBVVXRL-MJGOQNOKSA-N 1 1 313.372 3.665 20 30 DHEDMO C=C(C)Cc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001190231254 1038277315 /nfs/dbraw/zinc/27/73/15/1038277315.db2.gz BPXGKRSOWPWTMG-KRWDZBQOSA-N 1 1 314.473 3.800 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000572038982 1038321606 /nfs/dbraw/zinc/32/16/06/1038321606.db2.gz DZEOTSLBHMPBJM-QFBILLFUSA-N 1 1 305.437 3.797 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001190458127 1038322685 /nfs/dbraw/zinc/32/26/85/1038322685.db2.gz XEMOKZYTXIFRMB-WDSOQIARSA-N 1 1 301.430 3.641 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC001190502803 1038330545 /nfs/dbraw/zinc/33/05/45/1038330545.db2.gz DZWRZFSNGCGSDE-IBGZPJMESA-N 1 1 324.424 3.949 20 30 DHEDMO C#CC[N@H+](CCc1cccc2c1OC(F)(F)O2)C1CCCCC1 ZINC001190708968 1038366308 /nfs/dbraw/zinc/36/63/08/1038366308.db2.gz ZQBUEQIQGQPVCI-UHFFFAOYSA-N 1 1 321.367 3.819 20 30 DHEDMO C#CCN(Cc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001190707212 1038366995 /nfs/dbraw/zinc/36/69/95/1038366995.db2.gz FULBUZBIYZEOLV-NRFANRHFSA-N 1 1 322.427 3.535 20 30 DHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@@H](C4CCCC4)C3)o2)c1 ZINC000572472668 1038383405 /nfs/dbraw/zinc/38/34/05/1038383405.db2.gz UOHYUNOMJRUAND-QGZVFWFLSA-N 1 1 322.412 3.620 20 30 DHEDMO CCCCCCCNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001191123336 1038446127 /nfs/dbraw/zinc/44/61/27/1038446127.db2.gz NBEZZCNGAYMYEE-MRXNPFEDSA-N 1 1 309.498 3.663 20 30 DHEDMO CC(C)CC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC001191494938 1038509651 /nfs/dbraw/zinc/50/96/51/1038509651.db2.gz CUJJZSOXHQNFCD-UHFFFAOYSA-N 1 1 301.390 3.725 20 30 DHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)C12CCC2 ZINC001191551263 1038520692 /nfs/dbraw/zinc/52/06/92/1038520692.db2.gz PSYDTVUKEIKSNG-SJORKVTESA-N 1 1 318.848 3.991 20 30 DHEDMO C=CCOc1ccc(CN[C@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000589639798 1038525507 /nfs/dbraw/zinc/52/55/07/1038525507.db2.gz VPYRAUHDCGXPRN-OAHLLOKOSA-N 1 1 322.880 3.869 20 30 DHEDMO C=CCOc1ccc(CNC[C@H](CC(C)C)[NH+](C)C)cc1Cl ZINC000589640312 1038525518 /nfs/dbraw/zinc/52/55/18/1038525518.db2.gz NMKKCGDGJFQONL-INIZCTEOSA-N 1 1 324.896 3.971 20 30 DHEDMO N#Cc1c(F)cccc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000589984555 1038566455 /nfs/dbraw/zinc/56/64/55/1038566455.db2.gz JAGWVZFENMPHAG-UHFFFAOYSA-N 1 1 322.383 3.719 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C[C@H](COC)OC)C(C)(C)C)cc1 ZINC001192052370 1038585233 /nfs/dbraw/zinc/58/52/33/1038585233.db2.gz DYCZCXIXNWEFRK-GOSISDBHSA-N 1 1 321.461 3.513 20 30 DHEDMO CSCc1cnc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)s1 ZINC000590188324 1038603719 /nfs/dbraw/zinc/60/37/19/1038603719.db2.gz UWWCZTGLPXBZCJ-HNNXBMFYSA-N 1 1 315.467 3.655 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000590202308 1038603744 /nfs/dbraw/zinc/60/37/44/1038603744.db2.gz DQZKKSXIACZNGZ-SFHVURJKSA-N 1 1 312.800 3.865 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC000590600933 1038676210 /nfs/dbraw/zinc/67/62/10/1038676210.db2.gz PRXKGZMWYJHKLV-SFHVURJKSA-N 1 1 321.424 3.602 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)C[C@H](OC)c1ccc(F)cc1 ZINC001192652722 1038687498 /nfs/dbraw/zinc/68/74/98/1038687498.db2.gz HQEGOJUWSDIRGT-SFHVURJKSA-N 1 1 303.377 3.837 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000590750304 1038697872 /nfs/dbraw/zinc/69/78/72/1038697872.db2.gz YHPIDNXCHKWQQU-GOSISDBHSA-N 1 1 314.816 3.686 20 30 DHEDMO C[C@@H](C#N)C[N@H+](CCOc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001192917921 1038716378 /nfs/dbraw/zinc/71/63/78/1038716378.db2.gz HVNQRWCZRJCCGQ-NSHDSACASA-N 1 1 313.228 3.996 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](CCOc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001192917921 1038716385 /nfs/dbraw/zinc/71/63/85/1038716385.db2.gz HVNQRWCZRJCCGQ-NSHDSACASA-N 1 1 313.228 3.996 20 30 DHEDMO CCCCCCC[C@H](C)NC(=O)N[C@H]1C[C@H]2CC[N@@H+](C1)[C@@H]2C ZINC001192950308 1038719994 /nfs/dbraw/zinc/71/99/94/1038719994.db2.gz DUWBDLCBJCLRRY-HZMVEIRTSA-N 1 1 309.498 3.517 20 30 DHEDMO CCCCCCC[C@H](C)NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001192927504 1038721846 /nfs/dbraw/zinc/72/18/46/1038721846.db2.gz QTWHJHRFNQNFKM-DLBZAZTESA-N 1 1 309.498 3.615 20 30 DHEDMO C[C@H](CCC#N)[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000591011876 1038744202 /nfs/dbraw/zinc/74/42/02/1038744202.db2.gz WECURNSCRRCCAM-UTLUCORTSA-N 1 1 302.262 3.741 20 30 DHEDMO CCC[N@@H+](CCOc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000061001881 1038845542 /nfs/dbraw/zinc/84/55/42/1038845542.db2.gz AQKOKSRUBJZTCB-UHFFFAOYSA-N 1 1 312.388 3.988 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000760884005 1038962850 /nfs/dbraw/zinc/96/28/50/1038962850.db2.gz HLYIHRXWCLGMAR-AABGKKOBSA-N 1 1 317.473 3.682 20 30 DHEDMO N#Cc1cnccc1S[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000591827424 1039012684 /nfs/dbraw/zinc/01/26/84/1039012684.db2.gz CSTKQCZISIJFAV-QGZVFWFLSA-N 1 1 309.438 3.710 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(Br)c(CC)s2)C1 ZINC001232288766 1039058250 /nfs/dbraw/zinc/05/82/50/1039058250.db2.gz JLKBYBNNKZZZDF-LLVKDONJSA-N 1 1 312.276 3.918 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Br)c(CC)s2)C1 ZINC001232288766 1039058271 /nfs/dbraw/zinc/05/82/71/1039058271.db2.gz JLKBYBNNKZZZDF-LLVKDONJSA-N 1 1 312.276 3.918 20 30 DHEDMO Cc1ccccc1C[N@H+]1CCCN(c2cccc(F)c2C#N)CC1 ZINC000603629075 1039089764 /nfs/dbraw/zinc/08/97/64/1039089764.db2.gz ZOGWXFNGOXCBPA-UHFFFAOYSA-N 1 1 323.415 3.718 20 30 DHEDMO Cc1ccc(C[N@H+]2CCCN(c3ccccc3)CC2)cc1C#N ZINC000599269396 1039111277 /nfs/dbraw/zinc/11/12/77/1039111277.db2.gz QDOBABRZBYHRJZ-UHFFFAOYSA-N 1 1 305.425 3.579 20 30 DHEDMO N#Cc1cnccc1C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000592072636 1039115548 /nfs/dbraw/zinc/11/55/48/1039115548.db2.gz CXOACPQSFVKLTH-HXUWFJFHSA-N 1 1 303.409 3.995 20 30 DHEDMO N#Cc1cnccc1C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000592072636 1039115556 /nfs/dbraw/zinc/11/55/56/1039115556.db2.gz CXOACPQSFVKLTH-HXUWFJFHSA-N 1 1 303.409 3.995 20 30 DHEDMO C[C@H]1CC2(C[N@H+]1Cc1ccccc1C(C)(C)C#N)CCOCC2 ZINC000592184092 1039134966 /nfs/dbraw/zinc/13/49/66/1039134966.db2.gz YXWUSYJDXSOXJI-INIZCTEOSA-N 1 1 312.457 3.879 20 30 DHEDMO CC[N@@H+](CCc1ccccc1)Cc1cn2ccccc2c1C#N ZINC000603852298 1039187511 /nfs/dbraw/zinc/18/75/11/1039187511.db2.gz QIASHNZIFUMRBC-UHFFFAOYSA-N 1 1 303.409 3.876 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)nc1 ZINC000599516292 1039189262 /nfs/dbraw/zinc/18/92/62/1039189262.db2.gz PWOFKADROQAFAB-OAHLLOKOSA-N 1 1 313.351 3.611 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cnc(-c2ccccc2)nc1 ZINC000603874806 1039204693 /nfs/dbraw/zinc/20/46/93/1039204693.db2.gz YMPOZBLQOUYCPV-UHFFFAOYSA-N 1 1 314.392 3.647 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(-c2ccccc2)nc1 ZINC000603874806 1039204709 /nfs/dbraw/zinc/20/47/09/1039204709.db2.gz YMPOZBLQOUYCPV-UHFFFAOYSA-N 1 1 314.392 3.647 20 30 DHEDMO Cc1ccc(-c2nn(C)cc2C[N@@H+](CCC#N)CCC(C)C)o1 ZINC000592500449 1039218248 /nfs/dbraw/zinc/21/82/48/1039218248.db2.gz YDDSHTBMVQMNCE-UHFFFAOYSA-N 1 1 314.433 3.750 20 30 DHEDMO Cc1ccc(-c2nn(C)cc2C[N@H+](CCC#N)CCC(C)C)o1 ZINC000592500449 1039218257 /nfs/dbraw/zinc/21/82/57/1039218257.db2.gz YDDSHTBMVQMNCE-UHFFFAOYSA-N 1 1 314.433 3.750 20 30 DHEDMO CC(C)Sc1cccc(Cl)c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592521993 1039222983 /nfs/dbraw/zinc/22/29/83/1039222983.db2.gz GMKKAWJJSSAULK-INIZCTEOSA-N 1 1 324.877 3.691 20 30 DHEDMO CC(C)Sc1cccc(Cl)c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592521993 1039222999 /nfs/dbraw/zinc/22/29/99/1039222999.db2.gz GMKKAWJJSSAULK-INIZCTEOSA-N 1 1 324.877 3.691 20 30 DHEDMO CCCCc1oc2ccccc2c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592524217 1039223444 /nfs/dbraw/zinc/22/34/44/1039223444.db2.gz WJFYOPNUBNGVBV-LJQANCHMSA-N 1 1 312.413 3.626 20 30 DHEDMO C[C@H](C[N@@H+](C)CC(=O)Nc1sccc1C#N)C1CCCCC1 ZINC000599632973 1039240345 /nfs/dbraw/zinc/24/03/45/1039240345.db2.gz IBSZVJISALTRSY-CYBMUJFWSA-N 1 1 319.474 3.706 20 30 DHEDMO Cn1cc(C[N@H+]2CCCC3(CC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000599672159 1039251558 /nfs/dbraw/zinc/25/15/58/1039251558.db2.gz BMJLHLWWAIKPGT-UHFFFAOYSA-N 1 1 320.440 3.725 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](CCSc1ccccc1)C2 ZINC000599677719 1039254383 /nfs/dbraw/zinc/25/43/83/1039254383.db2.gz CXVKKZUSOYZYIQ-UHFFFAOYSA-N 1 1 308.450 3.903 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](CCCOCc1ccccc1)C2 ZINC000599678590 1039265567 /nfs/dbraw/zinc/26/55/67/1039265567.db2.gz WSJLKGMIYSRSSI-UHFFFAOYSA-N 1 1 320.436 3.718 20 30 DHEDMO C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)CCc2ccc(Cl)cc21 ZINC000593068074 1039360217 /nfs/dbraw/zinc/36/02/17/1039360217.db2.gz XYUVLRFEIRITSO-KGLIPLIRSA-N 1 1 301.821 3.745 20 30 DHEDMO C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CCc2ccc(Cl)cc21 ZINC000593068074 1039360235 /nfs/dbraw/zinc/36/02/35/1039360235.db2.gz XYUVLRFEIRITSO-KGLIPLIRSA-N 1 1 301.821 3.745 20 30 DHEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC23CCCC3)c1 ZINC000593037924 1039365755 /nfs/dbraw/zinc/36/57/55/1039365755.db2.gz FVUABZUCXCMQES-UHFFFAOYSA-N 1 1 305.219 3.839 20 30 DHEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC23CCCC3)c1 ZINC000593037924 1039365766 /nfs/dbraw/zinc/36/57/66/1039365766.db2.gz FVUABZUCXCMQES-UHFFFAOYSA-N 1 1 305.219 3.839 20 30 DHEDMO CC[N@@H+](CCCNC(=O)C1(C#N)CCCCC1)C1CCCCC1 ZINC000593251756 1039483743 /nfs/dbraw/zinc/48/37/43/1039483743.db2.gz SPIUNXJBYWVXAP-UHFFFAOYSA-N 1 1 319.493 3.621 20 30 DHEDMO Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CC1(C#N)CCCC1 ZINC000593653952 1039580196 /nfs/dbraw/zinc/58/01/96/1039580196.db2.gz LEKHGBOZRCAJRR-UHFFFAOYSA-N 1 1 308.429 3.663 20 30 DHEDMO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000592525387 1039596180 /nfs/dbraw/zinc/59/61/80/1039596180.db2.gz PPQIEGGRSNCXIN-UHFFFAOYSA-N 1 1 320.458 3.564 20 30 DHEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000171930058 1039669241 /nfs/dbraw/zinc/66/92/41/1039669241.db2.gz CXIDCNGRDGZAGV-HNNXBMFYSA-N 1 1 310.397 3.726 20 30 DHEDMO C=CCOc1ccc(CNCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000594054077 1039677731 /nfs/dbraw/zinc/67/77/31/1039677731.db2.gz OROMKJHZFROILI-IRXDYDNUSA-N 1 1 302.462 3.604 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000594010905 1039679227 /nfs/dbraw/zinc/67/92/27/1039679227.db2.gz WLBOMAZKJQIHCD-KRWDZBQOSA-N 1 1 307.397 3.721 20 30 DHEDMO C=CCCC[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000605740706 1039746041 /nfs/dbraw/zinc/74/60/41/1039746041.db2.gz SIJXWLOPHPZJCC-LBPRGKRZSA-N 1 1 318.244 3.631 20 30 DHEDMO C=CCCCN(C)C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000605886548 1039755150 /nfs/dbraw/zinc/75/51/50/1039755150.db2.gz ZCDUCJYVMUTKBE-SFHVURJKSA-N 1 1 321.509 3.639 20 30 DHEDMO N#Cc1cccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000062426608 1039773968 /nfs/dbraw/zinc/77/39/68/1039773968.db2.gz ZDILQHGZYNVWRB-OAQYLSRUSA-N 1 1 319.452 3.560 20 30 DHEDMO N#Cc1cccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000062426608 1039773985 /nfs/dbraw/zinc/77/39/85/1039773985.db2.gz ZDILQHGZYNVWRB-OAQYLSRUSA-N 1 1 319.452 3.560 20 30 DHEDMO N#Cc1cccc(C[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000062426608 1039774002 /nfs/dbraw/zinc/77/40/02/1039774002.db2.gz ZDILQHGZYNVWRB-OAQYLSRUSA-N 1 1 319.452 3.560 20 30 DHEDMO CC(C)c1nnc([C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)[nH]1 ZINC000594502326 1039803426 /nfs/dbraw/zinc/80/34/26/1039803426.db2.gz YKIKAAOHNJIBFT-CYBMUJFWSA-N 1 1 311.433 3.580 20 30 DHEDMO CC(C)c1nnc([C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)[nH]1 ZINC000594502327 1039805175 /nfs/dbraw/zinc/80/51/75/1039805175.db2.gz YKIKAAOHNJIBFT-ZDUSSCGKSA-N 1 1 311.433 3.580 20 30 DHEDMO N#Cc1c(N[C@H]2CCC[N@H+]3CCCC[C@H]23)cccc1C(F)F ZINC000594601986 1039848190 /nfs/dbraw/zinc/84/81/90/1039848190.db2.gz QFALNSXYGYSZPI-JKSUJKDBSA-N 1 1 305.372 3.925 20 30 DHEDMO COc1ccc(C[C@H](C)C[N@H+]2Cc3ccc(C#N)cc3C2)cc1F ZINC000594615036 1039871609 /nfs/dbraw/zinc/87/16/09/1039871609.db2.gz RCSNQLFBKODKJX-AWEZNQCLSA-N 1 1 324.399 3.900 20 30 DHEDMO C[N@@H+](Cc1cn(CC2(C#N)CCCCC2)nn1)C1CCCCC1 ZINC000594658254 1039884162 /nfs/dbraw/zinc/88/41/62/1039884162.db2.gz OAINASQFZMOUEO-UHFFFAOYSA-N 1 1 315.465 3.517 20 30 DHEDMO Cc1ccc2nc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)[nH]c2c1 ZINC000594933713 1039951140 /nfs/dbraw/zinc/95/11/40/1039951140.db2.gz AVRGBDBLBMHANR-UHFFFAOYSA-N 1 1 316.408 3.716 20 30 DHEDMO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)[nH]1 ZINC000594937454 1039954581 /nfs/dbraw/zinc/95/45/81/1039954581.db2.gz IZWGFLLVHNZOPB-KBPBESRZSA-N 1 1 323.444 3.724 20 30 DHEDMO N#CC1(C[NH2+]Cc2cnc3ccc(Cl)cn23)CCCCC1 ZINC000594981196 1039996935 /nfs/dbraw/zinc/99/69/35/1039996935.db2.gz KHFQCWFPCLXWSL-UHFFFAOYSA-N 1 1 302.809 3.551 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(C(F)F)nc1 ZINC000595009773 1040019201 /nfs/dbraw/zinc/01/92/01/1040019201.db2.gz DONDJJZPNSTZFA-JTQLQIEISA-N 1 1 305.303 3.881 20 30 DHEDMO N#Cc1ccc(CC[NH2+][C@H](CCc2ccccc2)C(F)F)cc1 ZINC000595055707 1040019649 /nfs/dbraw/zinc/01/96/49/1040019649.db2.gz HYVGENUIVKMMMI-GOSISDBHSA-N 1 1 314.379 3.957 20 30 DHEDMO C=CCCSCC[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000595058679 1040022930 /nfs/dbraw/zinc/02/29/30/1040022930.db2.gz JBDPTKGQGKLJFX-KRWDZBQOSA-N 1 1 317.433 3.604 20 30 DHEDMO C[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccc(C#N)cc1F ZINC000595065604 1040029686 /nfs/dbraw/zinc/02/96/86/1040029686.db2.gz ICXDPFDSHQJKJQ-AWEZNQCLSA-N 1 1 324.403 3.543 20 30 DHEDMO C=CCC[N@@H+](C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC000606898046 1040030195 /nfs/dbraw/zinc/03/01/95/1040030195.db2.gz ZBXZYKCHNJHVMO-GOSISDBHSA-N 1 1 313.441 3.866 20 30 DHEDMO C[C@@H](O)C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000594061090 1040054060 /nfs/dbraw/zinc/05/40/60/1040054060.db2.gz BLBVFLPVZHRFCY-OAHLLOKOSA-N 1 1 306.409 3.570 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000595301205 1040105582 /nfs/dbraw/zinc/10/55/82/1040105582.db2.gz YWZPSZMIMMXAHH-FQEVSTJZSA-N 1 1 306.409 3.564 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc([N+](=O)[O-])c1C ZINC000063300126 1040184897 /nfs/dbraw/zinc/18/48/97/1040184897.db2.gz RHXPSKZCDSCXML-UHFFFAOYSA-N 1 1 321.380 3.963 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc([N+](=O)[O-])c1C ZINC000063300126 1040184902 /nfs/dbraw/zinc/18/49/02/1040184902.db2.gz RHXPSKZCDSCXML-UHFFFAOYSA-N 1 1 321.380 3.963 20 30 DHEDMO C=CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccc(C#N)c1 ZINC000063300123 1040188968 /nfs/dbraw/zinc/18/89/68/1040188968.db2.gz NXKAWRFYWADPNQ-UHFFFAOYSA-N 1 1 321.380 3.697 20 30 DHEDMO C[C@H](CCC#N)[N@@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595619324 1040192950 /nfs/dbraw/zinc/19/29/50/1040192950.db2.gz XUSFYDKMLHZOPY-RHSMWYFYSA-N 1 1 314.429 3.620 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000595623334 1040196225 /nfs/dbraw/zinc/19/62/25/1040196225.db2.gz NHUUUPYRKWIYIZ-CQSZACIVSA-N 1 1 301.821 3.920 20 30 DHEDMO CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595609091 1040203335 /nfs/dbraw/zinc/20/33/35/1040203335.db2.gz GBVFNTMZMUTLEQ-GOSISDBHSA-N 1 1 321.509 3.533 20 30 DHEDMO CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595609091 1040203339 /nfs/dbraw/zinc/20/33/39/1040203339.db2.gz GBVFNTMZMUTLEQ-GOSISDBHSA-N 1 1 321.509 3.533 20 30 DHEDMO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611102 1040206043 /nfs/dbraw/zinc/20/60/43/1040206043.db2.gz GXAWEGWYROOCCS-JKSUJKDBSA-N 1 1 313.445 3.763 20 30 DHEDMO CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611102 1040206057 /nfs/dbraw/zinc/20/60/57/1040206057.db2.gz GXAWEGWYROOCCS-JKSUJKDBSA-N 1 1 313.445 3.763 20 30 DHEDMO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611098 1040207756 /nfs/dbraw/zinc/20/77/56/1040207756.db2.gz GXAWEGWYROOCCS-CVEARBPZSA-N 1 1 313.445 3.763 20 30 DHEDMO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611098 1040207763 /nfs/dbraw/zinc/20/77/63/1040207763.db2.gz GXAWEGWYROOCCS-CVEARBPZSA-N 1 1 313.445 3.763 20 30 DHEDMO CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611099 1040208784 /nfs/dbraw/zinc/20/87/84/1040208784.db2.gz GXAWEGWYROOCCS-HOTGVXAUSA-N 1 1 313.445 3.763 20 30 DHEDMO CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611099 1040208797 /nfs/dbraw/zinc/20/87/97/1040208797.db2.gz GXAWEGWYROOCCS-HOTGVXAUSA-N 1 1 313.445 3.763 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595747917 1040239719 /nfs/dbraw/zinc/23/97/19/1040239719.db2.gz PLAWXDJSEXVAMD-ORYQWCPZSA-N 1 1 320.436 3.717 20 30 DHEDMO Cc1ccc2c(c1Br)C[N@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000595873924 1040276195 /nfs/dbraw/zinc/27/61/95/1040276195.db2.gz NQHZEXHXNNHGAJ-AAEUAGOBSA-N 1 1 305.219 3.765 20 30 DHEDMO Cc1ccc2c(c1Br)C[N@@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000595873924 1040276205 /nfs/dbraw/zinc/27/62/05/1040276205.db2.gz NQHZEXHXNNHGAJ-AAEUAGOBSA-N 1 1 305.219 3.765 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000595922173 1040282781 /nfs/dbraw/zinc/28/27/81/1040282781.db2.gz YYEYOVYFMFYBGX-KGLIPLIRSA-N 1 1 322.474 3.854 20 30 DHEDMO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@](C)(C(F)F)O1 ZINC000595922047 1040283821 /nfs/dbraw/zinc/28/38/21/1040283821.db2.gz NRISZFOBPOKOOW-UKRRQHHQSA-N 1 1 300.393 3.595 20 30 DHEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@](C)(C(F)F)O1 ZINC000595922047 1040283837 /nfs/dbraw/zinc/28/38/37/1040283837.db2.gz NRISZFOBPOKOOW-UKRRQHHQSA-N 1 1 300.393 3.595 20 30 DHEDMO CC(C)[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000063751312 1040487656 /nfs/dbraw/zinc/48/76/56/1040487656.db2.gz DZNQXJYYOOSBMX-UHFFFAOYSA-N 1 1 319.408 3.719 20 30 DHEDMO Cc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1CC#N ZINC000596635452 1040530447 /nfs/dbraw/zinc/53/04/47/1040530447.db2.gz BNXKUCPWAINERH-UHFFFAOYSA-N 1 1 306.409 3.560 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(OC2CC2)c1F ZINC000596978680 1040614114 /nfs/dbraw/zinc/61/41/14/1040614114.db2.gz AIECFYARSGCJAZ-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(OC2CC2)c1F ZINC000596978680 1040614122 /nfs/dbraw/zinc/61/41/22/1040614122.db2.gz AIECFYARSGCJAZ-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(OC2CC2)c1F ZINC000596979276 1040614798 /nfs/dbraw/zinc/61/47/98/1040614798.db2.gz JOAMEOMSAAUEIX-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(OC2CC2)c1F ZINC000596979276 1040614804 /nfs/dbraw/zinc/61/48/04/1040614804.db2.gz JOAMEOMSAAUEIX-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO COc1ccc(C[NH2+]Cc2cc(-c3ccccc3)on2)cc1C#N ZINC000174333362 1040617265 /nfs/dbraw/zinc/61/72/65/1040617265.db2.gz CTFAKXHHOCNIGV-UHFFFAOYSA-N 1 1 319.364 3.512 20 30 DHEDMO CN(C)CC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CCCC1 ZINC000597086074 1040650073 /nfs/dbraw/zinc/65/00/73/1040650073.db2.gz MXXOAAJEEQFTKO-UHFFFAOYSA-N 1 1 311.473 3.548 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CC[C@@H](C)C1 ZINC000597112709 1040654735 /nfs/dbraw/zinc/65/47/35/1040654735.db2.gz IEMSSFZWGNRCBM-APWZRJJASA-N 1 1 312.457 3.879 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H]1[C@@H]1CCCO1 ZINC000597132878 1040658672 /nfs/dbraw/zinc/65/86/72/1040658672.db2.gz MSROCIVYBWUZLL-ROUUACIJSA-N 1 1 310.441 3.631 20 30 DHEDMO CC(C)[C@H]1[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC12CCOCC2 ZINC000597151977 1040667278 /nfs/dbraw/zinc/66/72/78/1040667278.db2.gz TYHZOLGVIRNMKK-LJQANCHMSA-N 1 1 324.468 3.879 20 30 DHEDMO CCOc1cccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1OC(F)F ZINC000597172838 1040669266 /nfs/dbraw/zinc/66/92/66/1040669266.db2.gz FZESVRAQYJCBIE-ZDUSSCGKSA-N 1 1 324.371 3.812 20 30 DHEDMO CCOc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1OC(F)F ZINC000597172838 1040669273 /nfs/dbraw/zinc/66/92/73/1040669273.db2.gz FZESVRAQYJCBIE-ZDUSSCGKSA-N 1 1 324.371 3.812 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCSC[C@H]3C3CCC3)cc2)CC1 ZINC000597156473 1040669533 /nfs/dbraw/zinc/66/95/33/1040669533.db2.gz ZWAFZRLUTDRSND-SFHVURJKSA-N 1 1 312.482 3.959 20 30 DHEDMO CCOc1cccc(C[N@@H+]2CCC[C@H](CC#N)C2)c1OC(F)F ZINC000597172833 1040670841 /nfs/dbraw/zinc/67/08/41/1040670841.db2.gz FZESVRAQYJCBIE-CYBMUJFWSA-N 1 1 324.371 3.812 20 30 DHEDMO CCOc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1OC(F)F ZINC000597172833 1040670846 /nfs/dbraw/zinc/67/08/46/1040670846.db2.gz FZESVRAQYJCBIE-CYBMUJFWSA-N 1 1 324.371 3.812 20 30 DHEDMO C[C@@H]1CC[N@H+](Cc2ccc(Br)c(C#N)c2)[C@H](C)C1 ZINC001232895551 1040710935 /nfs/dbraw/zinc/71/09/35/1040710935.db2.gz OHAHTGVJDKGMKP-VXGBXAGGSA-N 1 1 307.235 3.941 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(Br)c(C#N)c2)[C@H](C)C1 ZINC001232895551 1040710946 /nfs/dbraw/zinc/71/09/46/1040710946.db2.gz OHAHTGVJDKGMKP-VXGBXAGGSA-N 1 1 307.235 3.941 20 30 DHEDMO CCCCOc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1OC ZINC000597173141 1040675921 /nfs/dbraw/zinc/67/59/21/1040675921.db2.gz GMARNYUXPMGHOD-MRXNPFEDSA-N 1 1 316.445 4.000 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1OCC(C)C ZINC000597175313 1040676744 /nfs/dbraw/zinc/67/67/44/1040676744.db2.gz XZYZPOCDUCNOIL-MRXNPFEDSA-N 1 1 316.445 3.856 20 30 DHEDMO CCCCOc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1OC ZINC000597175098 1040678065 /nfs/dbraw/zinc/67/80/65/1040678065.db2.gz WKONYYDBQLQQGQ-INIZCTEOSA-N 1 1 316.445 4.000 20 30 DHEDMO N#Cc1cc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)ccc1F ZINC000122087411 1040713989 /nfs/dbraw/zinc/71/39/89/1040713989.db2.gz OZYWQEUUFAFXHR-LJQANCHMSA-N 1 1 324.399 3.531 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456346944 1040785203 /nfs/dbraw/zinc/78/52/03/1040785203.db2.gz UGVLJCSVDTZKQA-ZWKOTPCHSA-N 1 1 314.473 3.569 20 30 DHEDMO C=CCC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000457087435 1041013031 /nfs/dbraw/zinc/01/30/31/1041013031.db2.gz JLSSPLKGQIYDNP-RBUKOAKNSA-N 1 1 314.473 3.678 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000602434646 1041031322 /nfs/dbraw/zinc/03/13/22/1041031322.db2.gz YBIKNQCRDSENKM-JTQLQIEISA-N 1 1 301.253 3.882 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2cccc(C#N)n2)[C@H](C)C2CC2)cc1 ZINC000602437765 1041034689 /nfs/dbraw/zinc/03/46/89/1041034689.db2.gz XLJLIVYJVCRONA-OAHLLOKOSA-N 1 1 321.424 3.763 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1cnc(C)nc1C ZINC000602445143 1041035487 /nfs/dbraw/zinc/03/54/87/1041035487.db2.gz SVEKDICVMNVUFN-HNNXBMFYSA-N 1 1 308.429 3.938 20 30 DHEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602482995 1041051775 /nfs/dbraw/zinc/05/17/75/1041051775.db2.gz HYIXEZQXHNMQBK-RDJZCZTQSA-N 1 1 310.445 3.749 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc(F)c1N ZINC000602481638 1041053763 /nfs/dbraw/zinc/05/37/63/1041053763.db2.gz HDKKPBMIKGIAHP-SJLPKXTDSA-N 1 1 309.388 3.680 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc(F)c1N ZINC000602481638 1041053770 /nfs/dbraw/zinc/05/37/70/1041053770.db2.gz HDKKPBMIKGIAHP-SJLPKXTDSA-N 1 1 309.388 3.680 20 30 DHEDMO C[C@H](c1cccc(NC2CCC(C#N)CC2)c1)[NH+]1CCOCC1 ZINC000602493622 1041059876 /nfs/dbraw/zinc/05/98/76/1041059876.db2.gz CJNQWIDDTPWMNY-KLHKWILBSA-N 1 1 313.445 3.574 20 30 DHEDMO COc1cncc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1C ZINC000602494938 1041060407 /nfs/dbraw/zinc/06/04/07/1041060407.db2.gz RNQCMPLABCOHND-UHFFFAOYSA-N 1 1 319.408 3.560 20 30 DHEDMO COC(=O)c1csc(C[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000602583596 1041114256 /nfs/dbraw/zinc/11/42/56/1041114256.db2.gz RVQFZVGSBSKSJN-INIZCTEOSA-N 1 1 314.410 3.669 20 30 DHEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2cccc(C#N)n2)c1 ZINC000602606817 1041123810 /nfs/dbraw/zinc/12/38/10/1041123810.db2.gz GVHDTIHUIZQKQE-KUHUBIRLSA-N 1 1 307.397 3.545 20 30 DHEDMO N#CCC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602643412 1041129601 /nfs/dbraw/zinc/12/96/01/1041129601.db2.gz QOAGSVLPYOQBHB-PKOBYXMFSA-N 1 1 309.457 3.638 20 30 DHEDMO N#CCC1(CN[C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602643412 1041129606 /nfs/dbraw/zinc/12/96/06/1041129606.db2.gz QOAGSVLPYOQBHB-PKOBYXMFSA-N 1 1 309.457 3.638 20 30 DHEDMO N#CCC1(CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602643412 1041129612 /nfs/dbraw/zinc/12/96/12/1041129612.db2.gz QOAGSVLPYOQBHB-PKOBYXMFSA-N 1 1 309.457 3.638 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1ccc(F)cc1Br ZINC000602633559 1041137016 /nfs/dbraw/zinc/13/70/16/1041137016.db2.gz YQSVDNBYXZGJIQ-LLVKDONJSA-N 1 1 313.214 3.960 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)N(C)[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000602692904 1041154717 /nfs/dbraw/zinc/15/47/17/1041154717.db2.gz OCQYWSKGXYZRDS-RDTXWAMCSA-N 1 1 323.444 3.991 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nc2ccccc2o1 ZINC000602695341 1041156697 /nfs/dbraw/zinc/15/66/97/1041156697.db2.gz NANDYIQQVFLVPI-MRXNPFEDSA-N 1 1 303.365 3.867 20 30 DHEDMO C=C(C)C[C@H]([NH2+][C@H]1CCC[C@H](c2ncccc2C)C1)C(=O)OC ZINC000602735432 1041188191 /nfs/dbraw/zinc/18/81/91/1041188191.db2.gz XAYHIPLMNLVBBL-ULQDDVLXSA-N 1 1 316.445 3.514 20 30 DHEDMO C[C@@H]1C[N@H+](CCCc2cccc3ccccc32)C[C@H](C)N1CC#N ZINC000602855199 1041263490 /nfs/dbraw/zinc/26/34/90/1041263490.db2.gz GLCZPIZYZARCJN-HDICACEKSA-N 1 1 321.468 3.691 20 30 DHEDMO CC1=Nc2ccccc2C12CC[NH+](C[C@@H](C#N)CCC#N)CC2 ZINC000602863356 1041268385 /nfs/dbraw/zinc/26/83/85/1041268385.db2.gz MJNQVCHVJZQZHJ-MRXNPFEDSA-N 1 1 306.413 3.570 20 30 DHEDMO CC1=Nc2ccccc2C12CC[NH+](C[C@H](C#N)CCC#N)CC2 ZINC000602863355 1041269410 /nfs/dbraw/zinc/26/94/10/1041269410.db2.gz MJNQVCHVJZQZHJ-INIZCTEOSA-N 1 1 306.413 3.570 20 30 DHEDMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602845723 1041272186 /nfs/dbraw/zinc/27/21/86/1041272186.db2.gz LEKMJBCYYYXXQF-OAHLLOKOSA-N 1 1 306.450 3.514 20 30 DHEDMO C[C@H](CC#N)[NH2+]CCSc1ccnc2cc(Cl)ccc21 ZINC000602870887 1041278415 /nfs/dbraw/zinc/27/84/15/1041278415.db2.gz YIKJHOAXULQBPP-LLVKDONJSA-N 1 1 305.834 3.872 20 30 DHEDMO N#Cc1ccc(C2CC[NH+](Cc3c(F)cccc3F)CC2)nc1 ZINC000602905751 1041303724 /nfs/dbraw/zinc/30/37/24/1041303724.db2.gz AKZSPIKYKNPYAM-UHFFFAOYSA-N 1 1 313.351 3.611 20 30 DHEDMO CC1(C)C[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]1c1ccco1 ZINC000602924223 1041318494 /nfs/dbraw/zinc/31/84/94/1041318494.db2.gz BRLIVHWHZCMTPN-MRXNPFEDSA-N 1 1 302.418 3.763 20 30 DHEDMO N#Cc1cccc(C[NH+]2CCC(Cc3nccs3)CC2)c1F ZINC000602955016 1041324500 /nfs/dbraw/zinc/32/45/00/1041324500.db2.gz KEEYNEOGQOQKGK-UHFFFAOYSA-N 1 1 315.417 3.609 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997569 1041336723 /nfs/dbraw/zinc/33/67/23/1041336723.db2.gz NBGATOLBPHHILT-QRQLOZEOSA-N 1 1 312.457 3.613 20 30 DHEDMO C[N@H+](Cc1csc2ccccc12)C[C@@H](O)CC(C)(C)C#N ZINC000598588617 1041351766 /nfs/dbraw/zinc/35/17/66/1041351766.db2.gz KFPVSRRLDURWSP-AWEZNQCLSA-N 1 1 302.443 3.634 20 30 DHEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598592557 1041351875 /nfs/dbraw/zinc/35/18/75/1041351875.db2.gz MFKIWPSROQFZAI-BBRMVZONSA-N 1 1 308.853 3.504 20 30 DHEDMO Cc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598592523 1041352448 /nfs/dbraw/zinc/35/24/48/1041352448.db2.gz LMYUXNOIXKOJGO-JKSUJKDBSA-N 1 1 304.434 3.806 20 30 DHEDMO C[C@@]1(C2CCCCC2)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000603028314 1041353742 /nfs/dbraw/zinc/35/37/42/1041353742.db2.gz DETBYMFLNQZDBM-KRWDZBQOSA-N 1 1 317.458 3.603 20 30 DHEDMO C[C@@]1(C2CCCCC2)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000603028314 1041353755 /nfs/dbraw/zinc/35/37/55/1041353755.db2.gz DETBYMFLNQZDBM-KRWDZBQOSA-N 1 1 317.458 3.603 20 30 DHEDMO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598595577 1041354948 /nfs/dbraw/zinc/35/49/48/1041354948.db2.gz PFBPZFNLFUGAKB-VYDXJSESSA-N 1 1 318.461 3.916 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000598598443 1041356599 /nfs/dbraw/zinc/35/65/99/1041356599.db2.gz FMDRSDNLUZVEFA-RBUKOAKNSA-N 1 1 314.473 3.774 20 30 DHEDMO C[C@@H](C[N@@H+](C)CCC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000603053356 1041359335 /nfs/dbraw/zinc/35/93/35/1041359335.db2.gz BDRJTWDXVPERFA-LBPRGKRZSA-N 1 1 307.463 3.562 20 30 DHEDMO C[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000598620294 1041361549 /nfs/dbraw/zinc/36/15/49/1041361549.db2.gz ANCRWLPWXUKTOK-FGTMMUONSA-N 1 1 300.446 3.555 20 30 DHEDMO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598619494 1041362376 /nfs/dbraw/zinc/36/23/76/1041362376.db2.gz DDUYFDLMOJUUTB-DOTOQJQBSA-N 1 1 304.409 3.572 20 30 DHEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000090460285 334945489 /nfs/dbraw/zinc/94/54/89/334945489.db2.gz LRHJMUDAYDGQIU-ZDUSSCGKSA-N 1 1 312.438 3.883 20 30 DHEDMO C=C(C)[C@H](CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)OCC ZINC000280001715 334961372 /nfs/dbraw/zinc/96/13/72/334961372.db2.gz LHQNSVQCRPLJCM-INIZCTEOSA-N 1 1 324.852 3.711 20 30 DHEDMO C[C@H]1C[C@H](N(C)Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000093318215 193231270 /nfs/dbraw/zinc/23/12/70/193231270.db2.gz JMTCHUCOKNZGAQ-FUHWJXTLSA-N 1 1 323.440 3.636 20 30 DHEDMO C[C@@H]1C[C@H](N(C)Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000093318213 193232009 /nfs/dbraw/zinc/23/20/09/193232009.db2.gz JMTCHUCOKNZGAQ-SJLPKXTDSA-N 1 1 323.440 3.636 20 30 DHEDMO O=C(c1ccccc1)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191888682 335016429 /nfs/dbraw/zinc/01/64/29/335016429.db2.gz KTXDUXFXOZJDQA-UHFFFAOYSA-N 1 1 303.405 3.633 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425543072 335036324 /nfs/dbraw/zinc/03/63/24/335036324.db2.gz AUKYIGVUSPLBCF-QGZVFWFLSA-N 1 1 304.478 3.988 20 30 DHEDMO Cc1cccc2nc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)cn21 ZINC000425543843 335038851 /nfs/dbraw/zinc/03/88/51/335038851.db2.gz ZSWFIMHIEZBKGQ-HNNXBMFYSA-N 1 1 304.397 3.707 20 30 DHEDMO Cc1cccc2nc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)cn21 ZINC000425543843 335038853 /nfs/dbraw/zinc/03/88/53/335038853.db2.gz ZSWFIMHIEZBKGQ-HNNXBMFYSA-N 1 1 304.397 3.707 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)[C@H](C)c2cccnc2)cc(OC)c1O ZINC000183731599 335041323 /nfs/dbraw/zinc/04/13/23/335041323.db2.gz AVKWTPJHXMODRF-CQSZACIVSA-N 1 1 312.413 3.717 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2cnc(-c3ccco3)s2)CC1 ZINC000193092945 335042373 /nfs/dbraw/zinc/04/23/73/335042373.db2.gz SNNKNOGBGPXIKO-UHFFFAOYSA-N 1 1 317.458 3.533 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000289483678 335063890 /nfs/dbraw/zinc/06/38/90/335063890.db2.gz BAZLTIVCGPCCAK-IBGZPJMESA-N 1 1 319.452 3.580 20 30 DHEDMO Cc1[nH+]ccn1CCSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000272746005 130059935 /nfs/dbraw/zinc/05/99/35/130059935.db2.gz JLLRZOPMLDNURI-UHFFFAOYSA-N 1 1 311.332 3.874 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC[C@@H]1O ZINC000275390192 130311984 /nfs/dbraw/zinc/31/19/84/130311984.db2.gz CLYLIBIUTPTHHK-FQEVSTJZSA-N 1 1 320.436 3.818 20 30 DHEDMO COc1ccc([C@@H](C[NH+](C)C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000284363320 131074778 /nfs/dbraw/zinc/07/47/78/131074778.db2.gz NFFQAUSENFKIET-FOIQADDNSA-N 1 1 323.440 3.520 20 30 DHEDMO CC(C)(C)c1ncc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000284502681 131086163 /nfs/dbraw/zinc/08/61/63/131086163.db2.gz XRUZEXAXVJEGFB-UHFFFAOYSA-N 1 1 320.440 3.810 20 30 DHEDMO CC(C)(C)c1ncc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000284502681 131086165 /nfs/dbraw/zinc/08/61/65/131086165.db2.gz XRUZEXAXVJEGFB-UHFFFAOYSA-N 1 1 320.440 3.810 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC000340213349 131198753 /nfs/dbraw/zinc/19/87/53/131198753.db2.gz WNXFNPOFADSROP-XLNTUCKNSA-N 1 1 312.457 3.710 20 30 DHEDMO N#Cc1ccnc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000287444689 131280715 /nfs/dbraw/zinc/28/07/15/131280715.db2.gz RHQLYIMIMNSAAU-YQQQUEKLSA-N 1 1 318.424 3.561 20 30 DHEDMO CC[N@@H+](C[C@H](O)c1ccccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000299092954 132088728 /nfs/dbraw/zinc/08/87/28/132088728.db2.gz UNFORIFAEVOHRP-KUHUBIRLSA-N 1 1 312.388 3.814 20 30 DHEDMO CCC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000120857859 132146760 /nfs/dbraw/zinc/14/67/60/132146760.db2.gz RMLTWOUIKYFJPC-DZGCQCFKSA-N 1 1 317.433 3.607 20 30 DHEDMO CCC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000120857859 132146762 /nfs/dbraw/zinc/14/67/62/132146762.db2.gz RMLTWOUIKYFJPC-DZGCQCFKSA-N 1 1 317.433 3.607 20 30 DHEDMO Cc1nc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)ccc1C#N ZINC000488109038 429177144 /nfs/dbraw/zinc/17/71/44/429177144.db2.gz TXMSUENOIUEFOA-YJBOKZPZSA-N 1 1 306.413 3.509 20 30 DHEDMO Cc1ccc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1C#N ZINC000615697664 435361997 /nfs/dbraw/zinc/36/19/97/435361997.db2.gz XVQWIIJENXDAMZ-GOSISDBHSA-N 1 1 320.440 3.586 20 30 DHEDMO Cc1nc(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000487746217 435628981 /nfs/dbraw/zinc/62/89/81/435628981.db2.gz CQJGNGXPKUCKIT-IBGZPJMESA-N 1 1 320.440 3.584 20 30 DHEDMO CCCn1c2ccccc2nc1C[NH2+]Cc1cccc(C#N)c1 ZINC000077290913 331673776 /nfs/dbraw/zinc/67/37/76/331673776.db2.gz NFYVOKABDPVLBX-UHFFFAOYSA-N 1 1 304.397 3.608 20 30 DHEDMO N#CCCC1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000584229843 331872194 /nfs/dbraw/zinc/87/21/94/331872194.db2.gz UXDSNRHOMXKMAI-UHFFFAOYSA-N 1 1 301.415 3.919 20 30 DHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](CC)[C@@H](C)C(C)C ZINC000520060027 332053077 /nfs/dbraw/zinc/05/30/77/332053077.db2.gz DDLPDDYXRXXEHQ-FUHWJXTLSA-N 1 1 305.462 3.521 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccccc1N1CCOCC1 ZINC000092261617 332122115 /nfs/dbraw/zinc/12/21/15/332122115.db2.gz REQKHNDPVXYLRY-UHFFFAOYSA-N 1 1 322.452 3.711 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)CC(C)(C)CCC#N ZINC000093084159 332133949 /nfs/dbraw/zinc/13/39/49/332133949.db2.gz URTCJCWFUBMFSA-UHFFFAOYSA-N 1 1 315.461 3.540 20 30 DHEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000092660916 332138513 /nfs/dbraw/zinc/13/85/13/332138513.db2.gz QPKUZAJNGIPPEM-INIZCTEOSA-N 1 1 312.438 3.835 20 30 DHEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000448015842 332159106 /nfs/dbraw/zinc/15/91/06/332159106.db2.gz RPDVHAFBSTUXCI-WBMJQRKESA-N 1 1 317.433 3.607 20 30 DHEDMO CCC(CC)C[N@@H+](CC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000427024011 332165648 /nfs/dbraw/zinc/16/56/48/332165648.db2.gz QQPHKJYOADUWLK-UHFFFAOYSA-N 1 1 321.490 3.933 20 30 DHEDMO C[C@@H]1C[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000317753310 332171016 /nfs/dbraw/zinc/17/10/16/332171016.db2.gz ORCADJZRBFAAMB-MFKMUULPSA-N 1 1 309.335 3.614 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)N(C)C(c1ccccc1)c1ccccc1 ZINC000181247651 332188180 /nfs/dbraw/zinc/18/81/80/332188180.db2.gz FFQPXWWACQBSMK-UHFFFAOYSA-N 1 1 322.452 3.742 20 30 DHEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000181312919 332191077 /nfs/dbraw/zinc/19/10/77/332191077.db2.gz SPPADAYOCVIZPM-UHFFFAOYSA-N 1 1 320.742 3.805 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000181312919 332191078 /nfs/dbraw/zinc/19/10/78/332191078.db2.gz SPPADAYOCVIZPM-UHFFFAOYSA-N 1 1 320.742 3.805 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000152988921 332334774 /nfs/dbraw/zinc/33/47/74/332334774.db2.gz OIYNUABIGMGJEG-GFCCVEGCSA-N 1 1 312.379 3.795 20 30 DHEDMO C=CC[N@@H+](CCOC)Cc1cnc(-c2ccc(C)cc2)s1 ZINC000191756231 332345370 /nfs/dbraw/zinc/34/53/70/332345370.db2.gz CLHOECLKNPLETH-UHFFFAOYSA-N 1 1 302.443 3.753 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1cnc(-c2ccc(C)cc2)s1 ZINC000191756231 332345372 /nfs/dbraw/zinc/34/53/72/332345372.db2.gz CLHOECLKNPLETH-UHFFFAOYSA-N 1 1 302.443 3.753 20 30 DHEDMO Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(CCC#N)CC1 ZINC000583378847 332373895 /nfs/dbraw/zinc/37/38/95/332373895.db2.gz PIEQSEIAONZEMB-UHFFFAOYSA-N 1 1 319.836 3.603 20 30 DHEDMO Cc1[nH+]ccn1CCCN(C)c1cccc(C(F)F)c1C#N ZINC000583451495 332423647 /nfs/dbraw/zinc/42/36/47/332423647.db2.gz WVPAVQTVQAQYRE-UHFFFAOYSA-N 1 1 304.344 3.527 20 30 DHEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@H](COC)c2ccc(C)o2)cc1 ZINC000156419799 332469985 /nfs/dbraw/zinc/46/99/85/332469985.db2.gz VNWALLMZYJWZHV-CRAIPNDOSA-N 1 1 313.397 3.638 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1nc(-c2cccc(F)c2)no1 ZINC000248825617 332641842 /nfs/dbraw/zinc/64/18/42/332641842.db2.gz GCUZCRAFHVILKX-YWPYICTPSA-N 1 1 314.364 3.609 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)C ZINC000195527309 335116886 /nfs/dbraw/zinc/11/68/86/335116886.db2.gz CYRMQLPAYIMACR-UHFFFAOYSA-N 1 1 319.474 3.557 20 30 DHEDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCCSCC#N ZINC000174112240 333082271 /nfs/dbraw/zinc/08/22/71/333082271.db2.gz DONSTPIFPZSDPQ-LBPRGKRZSA-N 1 1 305.472 3.936 20 30 DHEDMO Cc1ccc(Br)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC000314013503 333082430 /nfs/dbraw/zinc/08/24/30/333082430.db2.gz OLBRIJYMQSPZFQ-UHFFFAOYSA-N 1 1 307.235 3.883 20 30 DHEDMO CSc1ccccc1NC(=O)C[N@@H+](C)CC(C)(C)CCC#N ZINC000179627083 333153602 /nfs/dbraw/zinc/15/36/02/333153602.db2.gz QSHMIKYWOMJZEE-UHFFFAOYSA-N 1 1 319.474 3.609 20 30 DHEDMO C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(OCC#N)cc1 ZINC000182023218 333174588 /nfs/dbraw/zinc/17/45/88/333174588.db2.gz GTFUXFJMDBGZGM-LBPRGKRZSA-N 1 1 313.426 3.774 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)C(C)C ZINC000108362430 333175804 /nfs/dbraw/zinc/17/58/04/333175804.db2.gz GIWQOIJHDYSGBN-CQSZACIVSA-N 1 1 319.474 3.607 20 30 DHEDMO C[C@H](CC#N)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183047561 333182697 /nfs/dbraw/zinc/18/26/97/333182697.db2.gz WFEAPTGQCCVCTO-OAHLLOKOSA-N 1 1 310.397 3.705 20 30 DHEDMO C[C@H](CC#N)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183047561 333182698 /nfs/dbraw/zinc/18/26/98/333182698.db2.gz WFEAPTGQCCVCTO-OAHLLOKOSA-N 1 1 310.397 3.705 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000184093461 333191713 /nfs/dbraw/zinc/19/17/13/333191713.db2.gz FQFQSTRZNAIEDH-AWEZNQCLSA-N 1 1 321.218 3.507 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCC12CCCCC2 ZINC000533934981 333234867 /nfs/dbraw/zinc/23/48/67/333234867.db2.gz DVIBVXFRELTFIG-UHFFFAOYSA-N 1 1 314.429 3.744 20 30 DHEDMO CCc1ccc([C@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)cc1 ZINC000191669144 333281508 /nfs/dbraw/zinc/28/15/08/333281508.db2.gz NASJNZXFKXWSHV-GOSISDBHSA-N 1 1 300.446 3.952 20 30 DHEDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000365203262 333356813 /nfs/dbraw/zinc/35/68/13/333356813.db2.gz MJZUUGBJGKPPJM-INIZCTEOSA-N 1 1 317.481 3.758 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000188404653 333365487 /nfs/dbraw/zinc/36/54/87/333365487.db2.gz VQLJCRRYKHBDJQ-YQVWRLOYSA-N 1 1 306.494 3.702 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1F ZINC000391946093 335136447 /nfs/dbraw/zinc/13/64/47/335136447.db2.gz WIVAQLZRJVBPMT-KURKYZTESA-N 1 1 316.420 3.603 20 30 DHEDMO CCCCCCCC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000162485374 333382651 /nfs/dbraw/zinc/38/26/51/333382651.db2.gz FOMBXUBPMKWVIE-UHFFFAOYSA-N 1 1 305.466 3.562 20 30 DHEDMO C[C@H](Nc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390814917 333395618 /nfs/dbraw/zinc/39/56/18/333395618.db2.gz ICJGWRKZWHWYMD-LPHOPBHVSA-N 1 1 305.425 3.881 20 30 DHEDMO CC[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000343446957 335165347 /nfs/dbraw/zinc/16/53/47/335165347.db2.gz HXTHPPXOPLANIR-NEPJUHHUSA-N 1 1 307.825 3.517 20 30 DHEDMO CCCc1[nH+]ccn1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000269360033 334000738 /nfs/dbraw/zinc/00/07/38/334000738.db2.gz MISGKGALGPCVRW-UHFFFAOYSA-N 1 1 320.396 3.587 20 30 DHEDMO N#Cc1ccc(CNCc2ccc(C[NH+]3CCCC3)cc2)c(F)c1 ZINC000269436704 334001450 /nfs/dbraw/zinc/00/14/50/334001450.db2.gz RIWRJWAVLUERQL-UHFFFAOYSA-N 1 1 323.415 3.583 20 30 DHEDMO C=CCC[N@H+](C)Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000343499596 335169918 /nfs/dbraw/zinc/16/99/18/335169918.db2.gz UKMTXEMWUTXZSJ-UHFFFAOYSA-N 1 1 305.372 3.775 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)c1 ZINC000414531368 334008513 /nfs/dbraw/zinc/00/85/13/334008513.db2.gz RXIZNESZQBBYNS-LJQANCHMSA-N 1 1 315.457 3.888 20 30 DHEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000271439993 334023244 /nfs/dbraw/zinc/02/32/44/334023244.db2.gz BRWJIISAMCOENM-UONOGXRCSA-N 1 1 317.458 3.504 20 30 DHEDMO C[C@H](c1cccc(N[C@H]2CCC[C@H](C#N)C2)c1)[NH+]1CCOCC1 ZINC000274236004 334057550 /nfs/dbraw/zinc/05/75/50/334057550.db2.gz ULWRVMDXVJBIAB-RYRKJORJSA-N 1 1 313.445 3.574 20 30 DHEDMO C[C@H](CCC#N)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000276349354 334075814 /nfs/dbraw/zinc/07/58/14/334075814.db2.gz WCDSUOCMDWLQGD-SNVBAGLBSA-N 1 1 314.216 3.556 20 30 DHEDMO C[C@H](CCC#N)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000276349354 334075815 /nfs/dbraw/zinc/07/58/15/334075815.db2.gz WCDSUOCMDWLQGD-SNVBAGLBSA-N 1 1 314.216 3.556 20 30 DHEDMO C[C@@H](CCC#N)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000276349350 334075844 /nfs/dbraw/zinc/07/58/44/334075844.db2.gz WCDSUOCMDWLQGD-JTQLQIEISA-N 1 1 314.216 3.556 20 30 DHEDMO C[C@@H](CCC#N)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000276349350 334075845 /nfs/dbraw/zinc/07/58/45/334075845.db2.gz WCDSUOCMDWLQGD-JTQLQIEISA-N 1 1 314.216 3.556 20 30 DHEDMO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCCCC(C)(C)C#N ZINC000277787438 334090946 /nfs/dbraw/zinc/09/09/46/334090946.db2.gz SIJGWGSZGFWKQK-MRXNPFEDSA-N 1 1 302.418 3.553 20 30 DHEDMO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCCC(C)(C)C#N ZINC000277787438 334090948 /nfs/dbraw/zinc/09/09/48/334090948.db2.gz SIJGWGSZGFWKQK-MRXNPFEDSA-N 1 1 302.418 3.553 20 30 DHEDMO Cc1ccnc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1C#N ZINC000343512814 335173295 /nfs/dbraw/zinc/17/32/95/335173295.db2.gz OLULSAKCGUKDCJ-RDJZCZTQSA-N 1 1 306.413 3.509 20 30 DHEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)CCc1cccs1 ZINC000281138740 334123370 /nfs/dbraw/zinc/12/33/70/334123370.db2.gz AKOMPMKFDZLKHC-UHFFFAOYSA-N 1 1 306.475 3.713 20 30 DHEDMO N#CC1(CCC[N@H+]2CCc3[nH]c4ccccc4c3C2)CCOCC1 ZINC000281151105 334123482 /nfs/dbraw/zinc/12/34/82/334123482.db2.gz BHGBFGDQCJHYAW-UHFFFAOYSA-N 1 1 323.440 3.627 20 30 DHEDMO C[N@@H+](CCCOCc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000281455388 334126444 /nfs/dbraw/zinc/12/64/44/334126444.db2.gz QTJBGMBAWBSNDU-UHFFFAOYSA-N 1 1 324.424 3.628 20 30 DHEDMO N#CC1(CCC[N@H+]2CCC[C@H]2c2ccsc2)CCOCC1 ZINC000282005354 334130420 /nfs/dbraw/zinc/13/04/20/334130420.db2.gz NWHFBIPYUABAIP-INIZCTEOSA-N 1 1 304.459 3.986 20 30 DHEDMO CCCCCCCCCC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000282746389 334136694 /nfs/dbraw/zinc/13/66/94/334136694.db2.gz UJLFEPQOEOXPDW-GOSISDBHSA-N 1 1 317.477 3.695 20 30 DHEDMO CCCCCCCCCC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000282746392 334136737 /nfs/dbraw/zinc/13/67/37/334136737.db2.gz UJLFEPQOEOXPDW-SFHVURJKSA-N 1 1 317.477 3.695 20 30 DHEDMO CC[C@](C)(C#N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000284981244 334144870 /nfs/dbraw/zinc/14/48/70/334144870.db2.gz DNRPYLFFXYLQGY-DNVCBOLYSA-N 1 1 313.445 3.939 20 30 DHEDMO CC[C@](C)(C#N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000284950101 334144883 /nfs/dbraw/zinc/14/48/83/334144883.db2.gz BUTAKXCZXYMJGX-HNAYVOBHSA-N 1 1 313.445 3.797 20 30 DHEDMO N#CCSCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000285345950 334147238 /nfs/dbraw/zinc/14/72/38/334147238.db2.gz DGPCJJUPMGNROB-KSZLIROESA-N 1 1 300.471 3.901 20 30 DHEDMO N#CCSCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000285345953 334147242 /nfs/dbraw/zinc/14/72/42/334147242.db2.gz DGPCJJUPMGNROB-KURKYZTESA-N 1 1 300.471 3.901 20 30 DHEDMO N#CCSCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000285345957 334147247 /nfs/dbraw/zinc/14/72/47/334147247.db2.gz DGPCJJUPMGNROB-KZNAEPCWSA-N 1 1 300.471 3.901 20 30 DHEDMO CC(C)C[N@H+]1CCCC[C@H]1CNc1ncc(C#N)cc1Cl ZINC000439093648 334154160 /nfs/dbraw/zinc/15/41/60/334154160.db2.gz UBSFYCRYIAQYKW-AWEZNQCLSA-N 1 1 306.841 3.529 20 30 DHEDMO CCC(CC)C[N@@H+](CC)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000343590165 335180002 /nfs/dbraw/zinc/18/00/02/335180002.db2.gz OBUIFAMYHRTHNY-ZDUSSCGKSA-N 1 1 319.449 3.853 20 30 DHEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000293505933 334198535 /nfs/dbraw/zinc/19/85/35/334198535.db2.gz NYOJVDHFSKELRQ-MSOLQXFVSA-N 1 1 322.456 3.922 20 30 DHEDMO Cc1c(Cl)cccc1N1CCC[N@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000294025202 334204787 /nfs/dbraw/zinc/20/47/87/334204787.db2.gz HSVSYGHJXNKBCQ-HOTGVXAUSA-N 1 1 317.864 3.853 20 30 DHEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000295078789 334217567 /nfs/dbraw/zinc/21/75/67/334217567.db2.gz RSUZMPUHJHVACO-MFKMUULPSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000295078789 334217570 /nfs/dbraw/zinc/21/75/70/334217570.db2.gz RSUZMPUHJHVACO-MFKMUULPSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000295078786 334217610 /nfs/dbraw/zinc/21/76/10/334217610.db2.gz RSUZMPUHJHVACO-GXFFZTMASA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000295078786 334217611 /nfs/dbraw/zinc/21/76/11/334217611.db2.gz RSUZMPUHJHVACO-GXFFZTMASA-N 1 1 300.299 3.860 20 30 DHEDMO CN(Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295136086 334219624 /nfs/dbraw/zinc/21/96/24/334219624.db2.gz YTOQZURJGBDPRE-HKUYNNGSSA-N 1 1 313.489 3.817 20 30 DHEDMO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000296373617 334233121 /nfs/dbraw/zinc/23/31/21/334233121.db2.gz JHSJNEURTCZAPX-RKFFNLMFSA-N 1 1 323.484 3.854 20 30 DHEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@@H](C)CCC#N ZINC000298046373 334245802 /nfs/dbraw/zinc/24/58/02/334245802.db2.gz HIRZKTJIFGBTCW-HNNXBMFYSA-N 1 1 310.445 3.922 20 30 DHEDMO CC(C)N1CC[C@@H]([NH2+]CCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000298639929 334250468 /nfs/dbraw/zinc/25/04/68/334250468.db2.gz WRABNDCHZJATCM-HZPDHXFCSA-N 1 1 309.816 3.506 20 30 DHEDMO C[C@H](CCC#N)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000298706678 334250882 /nfs/dbraw/zinc/25/08/82/334250882.db2.gz TXJFEPRZEYCVET-YZGWKJHDSA-N 1 1 311.473 3.665 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000298706678 334250883 /nfs/dbraw/zinc/25/08/83/334250883.db2.gz TXJFEPRZEYCVET-YZGWKJHDSA-N 1 1 311.473 3.665 20 30 DHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(C)(C)C#N)c1 ZINC000298904407 334251890 /nfs/dbraw/zinc/25/18/90/334251890.db2.gz BRGKMDNIIJOBJH-UHFFFAOYSA-N 1 1 310.401 3.543 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](C)C[C@H](CC(C)C)c2ccccc2)C1=O ZINC000467524432 334266528 /nfs/dbraw/zinc/26/65/28/334266528.db2.gz YVIJBVVAFNHZQL-OALUTQOASA-N 1 1 314.473 3.535 20 30 DHEDMO COC(=O)c1cccc(C[N@H+]2CC=C(C(C)(C)C)CC2)c1C#N ZINC000534691868 334327219 /nfs/dbraw/zinc/32/72/19/334327219.db2.gz NKDRSHGJDUPCLF-UHFFFAOYSA-N 1 1 312.413 3.523 20 30 DHEDMO COC(=O)c1cccc(C[N@@H+]2CC=C(C(C)(C)C)CC2)c1C#N ZINC000534691868 334327220 /nfs/dbraw/zinc/32/72/20/334327220.db2.gz NKDRSHGJDUPCLF-UHFFFAOYSA-N 1 1 312.413 3.523 20 30 DHEDMO C=CCSc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]1CCC ZINC000343632916 335183154 /nfs/dbraw/zinc/18/31/54/335183154.db2.gz DJIQGZZOOMPFFL-HNNXBMFYSA-N 1 1 318.486 3.569 20 30 DHEDMO C[C@H]1COC[C@H](c2ccccc2)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343713001 335186067 /nfs/dbraw/zinc/18/60/67/335186067.db2.gz GWQKTNSDXGAJSD-OXJNMPFZSA-N 1 1 306.409 3.715 20 30 DHEDMO C[C@H]1COC[C@H](c2ccccc2)[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343713001 335186068 /nfs/dbraw/zinc/18/60/68/335186068.db2.gz GWQKTNSDXGAJSD-OXJNMPFZSA-N 1 1 306.409 3.715 20 30 DHEDMO N#CCc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000343714178 335186141 /nfs/dbraw/zinc/18/61/41/335186141.db2.gz HRDUNHORMSVMMO-UHFFFAOYSA-N 1 1 321.380 3.825 20 30 DHEDMO COc1ncc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1Cl ZINC000344371264 335245455 /nfs/dbraw/zinc/24/54/55/335245455.db2.gz FQFZDECVLNDBQZ-JTQLQIEISA-N 1 1 319.767 3.605 20 30 DHEDMO N#Cc1csc(C[NH2+]Cc2c(F)cccc2OC(F)F)c1 ZINC000344713345 335275099 /nfs/dbraw/zinc/27/50/99/335275099.db2.gz CTTBESOCEOOAMK-UHFFFAOYSA-N 1 1 312.316 3.650 20 30 DHEDMO N#CCC[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccccc1 ZINC000344826689 335278493 /nfs/dbraw/zinc/27/84/93/335278493.db2.gz MYAOCKRAHPMYHI-HNNXBMFYSA-N 1 1 322.334 3.580 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cc(F)ccc2C#N)C1 ZINC000345752034 335348199 /nfs/dbraw/zinc/34/81/99/335348199.db2.gz GOFKDQOGEJMKLE-KHYOSLBOSA-N 1 1 315.436 3.535 20 30 DHEDMO CCc1ccc([C@H]([NH2+]CCCC#N)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346801214 335437211 /nfs/dbraw/zinc/43/72/11/335437211.db2.gz RSYZTGOEQXSJCC-QGZVFWFLSA-N 1 1 313.357 3.733 20 30 DHEDMO CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CCC[C@H](C3CC3)C2)s1 ZINC000329650379 336028379 /nfs/dbraw/zinc/02/83/79/336028379.db2.gz KJUWBDRIYMEFDQ-LBPRGKRZSA-N 1 1 322.478 3.546 20 30 DHEDMO CC(C)(C)c1nnc(NC(=O)C[N@H+]2CCC[C@H](C3CC3)C2)s1 ZINC000329650379 336028381 /nfs/dbraw/zinc/02/83/81/336028381.db2.gz KJUWBDRIYMEFDQ-LBPRGKRZSA-N 1 1 322.478 3.546 20 30 DHEDMO CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CCC[C@@H](C3CC3)C2)s1 ZINC000329650118 336028468 /nfs/dbraw/zinc/02/84/68/336028468.db2.gz KJUWBDRIYMEFDQ-GFCCVEGCSA-N 1 1 322.478 3.546 20 30 DHEDMO CC(C)(C)c1nnc(NC(=O)C[N@H+]2CCC[C@@H](C3CC3)C2)s1 ZINC000329650118 336028469 /nfs/dbraw/zinc/02/84/69/336028469.db2.gz KJUWBDRIYMEFDQ-GFCCVEGCSA-N 1 1 322.478 3.546 20 30 DHEDMO O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000329687257 336044985 /nfs/dbraw/zinc/04/49/85/336044985.db2.gz FUUFABSWDSBPHL-GMTAPVOTSA-N 1 1 315.339 3.592 20 30 DHEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1coc(C2CCCC2)n1 ZINC000329938407 336097586 /nfs/dbraw/zinc/09/75/86/336097586.db2.gz AHXDCWBYHZPKPS-KGLIPLIRSA-N 1 1 319.449 3.757 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1coc(C2CCCC2)n1 ZINC000329953224 336099145 /nfs/dbraw/zinc/09/91/45/336099145.db2.gz JHICCAHCOIRAGP-CYBMUJFWSA-N 1 1 305.422 3.511 20 30 DHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1coc(C2CCCC2)n1 ZINC000329955102 336099503 /nfs/dbraw/zinc/09/95/03/336099503.db2.gz OVUNZSFKDWWYAB-OAHLLOKOSA-N 1 1 319.449 3.901 20 30 DHEDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1coc(C2CCCCC2)n1 ZINC000330140195 336117528 /nfs/dbraw/zinc/11/75/28/336117528.db2.gz PIPHMKRYOGQBEQ-GDBMZVCRSA-N 1 1 317.433 3.654 20 30 DHEDMO CC(C)Cc1nnc(NC(=O)CC[C@H]2CCCC[N@H+]2C)s1 ZINC000330312538 336151929 /nfs/dbraw/zinc/15/19/29/336151929.db2.gz WNHZXFYEQQPKBP-GFCCVEGCSA-N 1 1 310.467 3.589 20 30 DHEDMO CC[N@@H+](Cc1ccc(OCc2cccnc2)cc1)C[C@H](C)C#N ZINC000352102396 336195025 /nfs/dbraw/zinc/19/50/25/336195025.db2.gz MZPIALCSYIBLDH-MRXNPFEDSA-N 1 1 309.413 3.642 20 30 DHEDMO CC[N@H+](Cc1ccc(OCc2cccnc2)cc1)C[C@H](C)C#N ZINC000352102396 336195026 /nfs/dbraw/zinc/19/50/26/336195026.db2.gz MZPIALCSYIBLDH-MRXNPFEDSA-N 1 1 309.413 3.642 20 30 DHEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCC[C@H]1O ZINC000352674781 336229867 /nfs/dbraw/zinc/22/98/67/336229867.db2.gz QDALQEPIWXUUSP-VQTJNVASSA-N 1 1 306.409 3.570 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1c(C)cccc1C ZINC000352701561 336231178 /nfs/dbraw/zinc/23/11/78/336231178.db2.gz KMLHXESJWYHJHN-UHFFFAOYSA-N 1 1 312.413 3.566 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1c(C)cccc1C ZINC000352701561 336231179 /nfs/dbraw/zinc/23/11/79/336231179.db2.gz KMLHXESJWYHJHN-UHFFFAOYSA-N 1 1 312.413 3.566 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1csc(N(C)C2CC2)n1 ZINC000352702512 336231322 /nfs/dbraw/zinc/23/13/22/336231322.db2.gz YFOGQPQWRWUVRD-UHFFFAOYSA-N 1 1 317.458 3.565 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1csc(N(C)C2CC2)n1 ZINC000352702512 336231323 /nfs/dbraw/zinc/23/13/23/336231323.db2.gz YFOGQPQWRWUVRD-UHFFFAOYSA-N 1 1 317.458 3.565 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnc2ccccc2c1 ZINC000352795811 336237470 /nfs/dbraw/zinc/23/74/70/336237470.db2.gz FUFUGAJZDXJTTC-UHFFFAOYSA-N 1 1 322.408 3.898 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnc2ccccc2c1 ZINC000352795811 336237471 /nfs/dbraw/zinc/23/74/71/336237471.db2.gz FUFUGAJZDXJTTC-UHFFFAOYSA-N 1 1 322.408 3.898 20 30 DHEDMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc(Cl)cc1 ZINC000042268136 336238166 /nfs/dbraw/zinc/23/81/66/336238166.db2.gz VJPCSQIDYJFWBI-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO C[C@@H](O)C[N@@H+](CC#Cc1cccc(Cl)c1)C1CCCCC1 ZINC000532608478 336257517 /nfs/dbraw/zinc/25/75/17/336257517.db2.gz UZTPYIZPAGLUQI-OAHLLOKOSA-N 1 1 305.849 3.707 20 30 DHEDMO CC(C)C[N@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538506525 336269209 /nfs/dbraw/zinc/26/92/09/336269209.db2.gz CQUUEQRGCQBRHN-YJBOKZPZSA-N 1 1 317.452 3.858 20 30 DHEDMO CC(C)CN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538506525 336269210 /nfs/dbraw/zinc/26/92/10/336269210.db2.gz CQUUEQRGCQBRHN-YJBOKZPZSA-N 1 1 317.452 3.858 20 30 DHEDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000182610954 336274445 /nfs/dbraw/zinc/27/44/45/336274445.db2.gz JYIKPCBXSHTAQJ-CQSZACIVSA-N 1 1 309.369 3.968 20 30 DHEDMO C[C@@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(OCC#N)cc1 ZINC000192944424 336285671 /nfs/dbraw/zinc/28/56/71/336285671.db2.gz VUAZGNOSOKXJHZ-CQSZACIVSA-N 1 1 315.461 3.549 20 30 DHEDMO N#Cc1ccc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000301110458 336290447 /nfs/dbraw/zinc/29/04/47/336290447.db2.gz MWNJPQWJJACTGL-MRXNPFEDSA-N 1 1 311.454 3.944 20 30 DHEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1snc(Cl)c1C#N ZINC000301251909 336296834 /nfs/dbraw/zinc/29/68/34/336296834.db2.gz SBDJMCBFYAJPFP-LLVKDONJSA-N 1 1 312.870 3.735 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3cccc(C#N)n3)cc2)C1 ZINC000301260065 336297297 /nfs/dbraw/zinc/29/72/97/336297297.db2.gz FULMJPHKMUODBM-MRXNPFEDSA-N 1 1 320.440 3.797 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2ccc(C#N)nc2)cc1 ZINC000301540228 336313410 /nfs/dbraw/zinc/31/34/10/336313410.db2.gz VDQVFNQIVSSZGA-INIZCTEOSA-N 1 1 320.440 3.940 20 30 DHEDMO CC(=O)c1ccc(C#N)c(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000302107574 336348878 /nfs/dbraw/zinc/34/88/78/336348878.db2.gz OEAWZJFPZYSZES-ZNMIVQPWSA-N 1 1 313.445 3.539 20 30 DHEDMO Cc1ccc(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)nc1C#N ZINC000302748039 336367721 /nfs/dbraw/zinc/36/77/21/336367721.db2.gz FXSMSNUVXPYIAX-LJQANCHMSA-N 1 1 320.440 3.584 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C#N)cc1 ZINC000352899426 336375214 /nfs/dbraw/zinc/37/52/14/336375214.db2.gz CYXXLYSCFOOIIG-UHFFFAOYSA-N 1 1 308.429 3.914 20 30 DHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C#N)cc1 ZINC000352899426 336375215 /nfs/dbraw/zinc/37/52/15/336375215.db2.gz CYXXLYSCFOOIIG-UHFFFAOYSA-N 1 1 308.429 3.914 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCO[C@@H](C)C1 ZINC000352901257 336375348 /nfs/dbraw/zinc/37/53/48/336375348.db2.gz JDEWNLZESCIYAJ-IRXDYDNUSA-N 1 1 305.466 3.657 20 30 DHEDMO C=C(C)C[N@H+](CCc1c(C)noc1C)Cc1cnn(C(C)C)c1 ZINC000352917317 336376885 /nfs/dbraw/zinc/37/68/85/336376885.db2.gz VZMTWBYHMQVQQI-UHFFFAOYSA-N 1 1 316.449 3.690 20 30 DHEDMO C=C(C)C[N@H+](CC[C@H]1CCCCO1)Cc1cnn(C(C)C)c1 ZINC000352921250 336377096 /nfs/dbraw/zinc/37/70/96/336377096.db2.gz HFCFTGSEIYUNAQ-GOSISDBHSA-N 1 1 305.466 3.801 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000352973918 336380725 /nfs/dbraw/zinc/38/07/25/336380725.db2.gz DSBKWPBZMWHYHF-UHFFFAOYSA-N 1 1 311.385 3.802 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1c[nH]nc1-c1cccs1 ZINC000352989638 336381303 /nfs/dbraw/zinc/38/13/03/336381303.db2.gz MIELQICXDCJCCA-UHFFFAOYSA-N 1 1 313.426 3.962 20 30 DHEDMO N#Cc1cnn2cc(C[N@H+]3CCC[C@H]3CCC3CCCC3)cnc12 ZINC000582242268 336391325 /nfs/dbraw/zinc/39/13/25/336391325.db2.gz SWOMVCDWRTVTIP-SFHVURJKSA-N 1 1 323.444 3.536 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(F)c(F)c1 ZINC000358990238 336651636 /nfs/dbraw/zinc/65/16/36/336651636.db2.gz OIHHJLBDRGFEJS-WMZOPIPTSA-N 1 1 317.383 3.983 20 30 DHEDMO N#CC1(C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CCC1 ZINC000418143809 336896666 /nfs/dbraw/zinc/89/66/66/336896666.db2.gz RFHPUTZDSMNTEP-UHFFFAOYSA-N 1 1 319.380 3.872 20 30 DHEDMO C=CCCCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000372139882 336923299 /nfs/dbraw/zinc/92/32/99/336923299.db2.gz HELFRTAAFSIXCA-MRXNPFEDSA-N 1 1 318.465 3.709 20 30 DHEDMO C[C@@H]1[N@@H+](Cc2ccc(F)c(C#N)c2Cl)CCC12CCOCC2 ZINC000376121234 337027674 /nfs/dbraw/zinc/02/76/74/337027674.db2.gz ZPUTUMXCGXHMCL-LBPRGKRZSA-N 1 1 322.811 3.742 20 30 DHEDMO N#Cc1ccc(NCc2c[nH+]c3n2CCCC3)cc1C(F)(F)F ZINC000376486994 337034629 /nfs/dbraw/zinc/03/46/29/337034629.db2.gz KMMAEBCBMJPUCN-UHFFFAOYSA-N 1 1 320.318 3.722 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000377570297 337055383 /nfs/dbraw/zinc/05/53/83/337055383.db2.gz YEVSALCMOPVOLH-LJQANCHMSA-N 1 1 300.446 3.690 20 30 DHEDMO N#Cc1cc(F)ccc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000378128965 337066893 /nfs/dbraw/zinc/06/68/93/337066893.db2.gz BOGBGRHFKLXUGX-UHFFFAOYSA-N 1 1 322.383 3.719 20 30 DHEDMO Cn1cc(C[N@H+]2C[C@H]3CCCCC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000378501882 337074442 /nfs/dbraw/zinc/07/44/42/337074442.db2.gz ZVIWCGZAAKKGSW-MJGOQNOKSA-N 1 1 320.440 3.723 20 30 DHEDMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1cccc(OCCCC#N)c1 ZINC000193907030 337081231 /nfs/dbraw/zinc/08/12/31/337081231.db2.gz KFXKSKINZBLUKY-IIDMSEBBSA-N 1 1 301.434 3.510 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000171382391 337086443 /nfs/dbraw/zinc/08/64/43/337086443.db2.gz RWLZXQICIPUMQR-CYBMUJFWSA-N 1 1 301.390 3.533 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000171382391 337086444 /nfs/dbraw/zinc/08/64/44/337086444.db2.gz RWLZXQICIPUMQR-CYBMUJFWSA-N 1 1 301.390 3.533 20 30 DHEDMO C[C@H](c1ccccc1)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173476348 337135485 /nfs/dbraw/zinc/13/54/85/337135485.db2.gz KRBOZCQHQKAYAK-CQSZACIVSA-N 1 1 318.380 3.801 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173476348 337135486 /nfs/dbraw/zinc/13/54/86/337135486.db2.gz KRBOZCQHQKAYAK-CQSZACIVSA-N 1 1 318.380 3.801 20 30 DHEDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CCCC(C)(C)C#N ZINC000429245129 337142665 /nfs/dbraw/zinc/14/26/65/337142665.db2.gz JDDXRIFNOBCWGD-OAHLLOKOSA-N 1 1 303.425 3.666 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+]2CCCC[C@H]2C(C)C)c(C#N)c1C ZINC000177193992 337154725 /nfs/dbraw/zinc/15/47/25/337154725.db2.gz OZJZBFLEFPNRLG-HNNXBMFYSA-N 1 1 319.474 3.686 20 30 DHEDMO N#CCCCCN1CC[N@@H+](CCCCC#N)CC12CCCCC2 ZINC000177820976 337157621 /nfs/dbraw/zinc/15/76/21/337157621.db2.gz UCFKHPBIIXZAPJ-UHFFFAOYSA-N 1 1 316.493 3.695 20 30 DHEDMO N#CCCCCN1CC[N@H+](CCCCC#N)C2(CCCCC2)C1 ZINC000177820976 337157622 /nfs/dbraw/zinc/15/76/22/337157622.db2.gz UCFKHPBIIXZAPJ-UHFFFAOYSA-N 1 1 316.493 3.695 20 30 DHEDMO N#CCCCCN1CC[N@@H+](CCCCC#N)C2(CCCCC2)C1 ZINC000177820976 337157623 /nfs/dbraw/zinc/15/76/23/337157623.db2.gz UCFKHPBIIXZAPJ-UHFFFAOYSA-N 1 1 316.493 3.695 20 30 DHEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000179120183 337167933 /nfs/dbraw/zinc/16/79/33/337167933.db2.gz NNCPYGZBCPFZMX-IBGZPJMESA-N 1 1 307.397 3.559 20 30 DHEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(-c2ccncc2)cc1 ZINC000180888644 337178366 /nfs/dbraw/zinc/17/83/66/337178366.db2.gz PFLPYJSQJUHHPA-HZPDHXFCSA-N 1 1 304.397 3.843 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000184089001 337196100 /nfs/dbraw/zinc/19/61/00/337196100.db2.gz GQQKZCXSBZZACC-MRXNPFEDSA-N 1 1 304.397 3.807 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000184088982 337196129 /nfs/dbraw/zinc/19/61/29/337196129.db2.gz GQQKZCXSBZZACC-INIZCTEOSA-N 1 1 304.397 3.807 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000185268123 337203834 /nfs/dbraw/zinc/20/38/34/337203834.db2.gz KFZSGAQAQKFHAQ-ZDUSSCGKSA-N 1 1 315.392 3.538 20 30 DHEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000185621903 337249694 /nfs/dbraw/zinc/24/96/94/337249694.db2.gz NMQQCBBSAJDJBI-RDTXWAMCSA-N 1 1 308.429 3.579 20 30 DHEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000188555358 337273965 /nfs/dbraw/zinc/27/39/65/337273965.db2.gz CSJFDBXLEAKARK-GOSISDBHSA-N 1 1 312.457 3.514 20 30 DHEDMO Cc1cc(-n2ccnc2)ccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC000192035896 337302035 /nfs/dbraw/zinc/30/20/35/337302035.db2.gz WXXOMRPHEWXBJH-UHFFFAOYSA-N 1 1 310.445 3.943 20 30 DHEDMO C=CCOc1ccc(C[N@H+](Cc2ncccn2)C(C)(C)C)cc1 ZINC000192073265 337302385 /nfs/dbraw/zinc/30/23/85/337302385.db2.gz LZLWQQFUENMJSQ-UHFFFAOYSA-N 1 1 311.429 3.842 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](Cc2ncccn2)C(C)(C)C)cc1 ZINC000192073265 337302386 /nfs/dbraw/zinc/30/23/86/337302386.db2.gz LZLWQQFUENMJSQ-UHFFFAOYSA-N 1 1 311.429 3.842 20 30 DHEDMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000583310374 337313516 /nfs/dbraw/zinc/31/35/16/337313516.db2.gz PJPPRWMEZDEUAO-JSGCOSHPSA-N 1 1 312.335 3.708 20 30 DHEDMO N#CCC[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000584465318 337346821 /nfs/dbraw/zinc/34/68/21/337346821.db2.gz BSRAPARBJXEFGG-AWEZNQCLSA-N 1 1 318.218 3.811 20 30 DHEDMO Cc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)c1C ZINC000026329998 337387020 /nfs/dbraw/zinc/38/70/20/337387020.db2.gz ANTUMOIWEDLIJQ-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c1C ZINC000026329998 337387021 /nfs/dbraw/zinc/38/70/21/337387021.db2.gz ANTUMOIWEDLIJQ-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CC(=O)Nc1ccc(C#N)cc1 ZINC000532935113 337394042 /nfs/dbraw/zinc/39/40/42/337394042.db2.gz PUUZGGTZFBHAFS-IBGZPJMESA-N 1 1 321.424 3.970 20 30 DHEDMO N#Cc1c(C[N@H+](CCC(F)(F)F)CC2CC2)cn2ccccc12 ZINC000084137462 338000264 /nfs/dbraw/zinc/00/02/64/338000264.db2.gz AKCTYKSMNDNEQS-UHFFFAOYSA-N 1 1 321.346 3.975 20 30 DHEDMO N#Cc1c(C[N@@H+](CCC(F)(F)F)CC2CC2)cn2ccccc12 ZINC000084137462 338000265 /nfs/dbraw/zinc/00/02/65/338000265.db2.gz AKCTYKSMNDNEQS-UHFFFAOYSA-N 1 1 321.346 3.975 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000428221392 338042865 /nfs/dbraw/zinc/04/28/65/338042865.db2.gz QRBSUFIIKYOVML-FQEVSTJZSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000428221392 338042866 /nfs/dbraw/zinc/04/28/66/338042866.db2.gz QRBSUFIIKYOVML-FQEVSTJZSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000428221399 338042869 /nfs/dbraw/zinc/04/28/69/338042869.db2.gz QRBSUFIIKYOVML-HXUWFJFHSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000428221399 338042870 /nfs/dbraw/zinc/04/28/70/338042870.db2.gz QRBSUFIIKYOVML-HXUWFJFHSA-N 1 1 324.399 3.569 20 30 DHEDMO CCCn1cc[nH+]c1CCCN(C)c1c(Cl)cccc1C#N ZINC000428651958 338057777 /nfs/dbraw/zinc/05/77/77/338057777.db2.gz MSNCJCLKKVBVLL-UHFFFAOYSA-N 1 1 316.836 3.887 20 30 DHEDMO C=CC[NH+]1CCC(NCc2ccc(C(F)(F)F)s2)CC1 ZINC000428876050 338064201 /nfs/dbraw/zinc/06/42/01/338064201.db2.gz JEEKCABHEDCHLC-UHFFFAOYSA-N 1 1 304.381 3.507 20 30 DHEDMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCCCC#N ZINC000429161286 338072214 /nfs/dbraw/zinc/07/22/14/338072214.db2.gz JIKKPCAJZYZLIG-CYBMUJFWSA-N 1 1 309.816 3.683 20 30 DHEDMO CC1=C[C@H](C)C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000430260934 338103467 /nfs/dbraw/zinc/10/34/67/338103467.db2.gz HYLPMQJRFYMECQ-HNNXBMFYSA-N 1 1 321.424 3.636 20 30 DHEDMO CC1=C[C@H](C)C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000430260934 338103468 /nfs/dbraw/zinc/10/34/68/338103468.db2.gz HYLPMQJRFYMECQ-HNNXBMFYSA-N 1 1 321.424 3.636 20 30 DHEDMO C=CCC(C)(C)CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000432105854 338145849 /nfs/dbraw/zinc/14/58/49/338145849.db2.gz GFYBTOIOAADJAR-INIZCTEOSA-N 1 1 309.498 3.543 20 30 DHEDMO N#CC1(CCC[N@H+]2CCC[C@@H](c3ccccc3)C2)CCOCC1 ZINC000433067936 338180022 /nfs/dbraw/zinc/18/00/22/338180022.db2.gz PJXVGYVZXCENBX-LJQANCHMSA-N 1 1 312.457 3.967 20 30 DHEDMO C[N@@H+](CCCOc1cccc(C(F)(F)F)c1)CC(C)(C)C#N ZINC000433293883 338189785 /nfs/dbraw/zinc/18/97/85/338189785.db2.gz IMJOVBSAKTZRMC-UHFFFAOYSA-N 1 1 314.351 3.956 20 30 DHEDMO COc1ccccc1/C=C\C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000434988665 338229151 /nfs/dbraw/zinc/22/91/51/338229151.db2.gz VHGPIIYYBCFPRE-ALCCZGGFSA-N 1 1 310.372 3.851 20 30 DHEDMO COc1ccccc1/C=C\C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000434988665 338229152 /nfs/dbraw/zinc/22/91/52/338229152.db2.gz VHGPIIYYBCFPRE-ALCCZGGFSA-N 1 1 310.372 3.851 20 30 DHEDMO CCCC[C@@H](C)[N@@H+](CCCC)Cc1cnc2c(C#N)cnn2c1 ZINC000572483660 338253545 /nfs/dbraw/zinc/25/35/45/338253545.db2.gz KQCBOGHMHHQGGU-OAHLLOKOSA-N 1 1 313.449 3.782 20 30 DHEDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437886797 338324232 /nfs/dbraw/zinc/32/42/32/338324232.db2.gz CRAGTLWEFNVFLI-LLVKDONJSA-N 1 1 314.401 3.733 20 30 DHEDMO CCCCC[C@H]1CCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000438624274 338350291 /nfs/dbraw/zinc/35/02/91/338350291.db2.gz YJPFEJFWAJJDRK-HNNXBMFYSA-N 1 1 317.433 3.751 20 30 DHEDMO CCCCC[C@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000438624274 338350292 /nfs/dbraw/zinc/35/02/92/338350292.db2.gz YJPFEJFWAJJDRK-HNNXBMFYSA-N 1 1 317.433 3.751 20 30 DHEDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1Cl ZINC000439430426 338369302 /nfs/dbraw/zinc/36/93/02/338369302.db2.gz LWNALWIGWPYNMD-INIZCTEOSA-N 1 1 305.853 3.518 20 30 DHEDMO C[N@H+](CCOc1ccccc1F)Cc1ccc(C#N)cc1Cl ZINC000439438138 338369456 /nfs/dbraw/zinc/36/94/56/338369456.db2.gz JOBGNIOERBARMS-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[N@@H+](CCOc1ccccc1F)Cc1ccc(C#N)cc1Cl ZINC000439438138 338369457 /nfs/dbraw/zinc/36/94/57/338369457.db2.gz JOBGNIOERBARMS-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c(Cl)c1 ZINC000439447498 338369877 /nfs/dbraw/zinc/36/98/77/338369877.db2.gz YVHNWSFOQRLJSC-LJQANCHMSA-N 1 1 324.811 3.843 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440556807 338390299 /nfs/dbraw/zinc/39/02/99/338390299.db2.gz HMNWXFYEOPVKPD-DYXWJJEUSA-N 1 1 324.468 3.922 20 30 DHEDMO N#CCC[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccccc1 ZINC000440647245 338394238 /nfs/dbraw/zinc/39/42/38/338394238.db2.gz NYYKBVJPACHAIZ-ZDUSSCGKSA-N 1 1 308.307 3.563 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160324009 338547565 /nfs/dbraw/zinc/54/75/65/338547565.db2.gz PFPVXDUKVYIFDU-LBPRGKRZSA-N 1 1 318.218 3.779 20 30 DHEDMO CC[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(C#N)cc1 ZINC000447526242 338553997 /nfs/dbraw/zinc/55/39/97/338553997.db2.gz CDEHXGOZCOLLBD-AWEZNQCLSA-N 1 1 322.334 3.558 20 30 DHEDMO C=CCC[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OCC ZINC000449652686 338644497 /nfs/dbraw/zinc/64/44/97/338644497.db2.gz BEWXUQCYYSZUDB-AVGNSLFASA-N 1 1 307.356 3.595 20 30 DHEDMO C=CCC[C@@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)C(=O)OCC ZINC000449658025 338644717 /nfs/dbraw/zinc/64/47/17/338644717.db2.gz RWHQWFRWVOENSF-TZMCWYRMSA-N 1 1 303.393 3.688 20 30 DHEDMO COc1cccnc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000453382762 338835535 /nfs/dbraw/zinc/83/55/35/338835535.db2.gz ZOINVFUEDIICLK-KRWDZBQOSA-N 1 1 307.397 3.519 20 30 DHEDMO C=C(C)CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000459000193 339010706 /nfs/dbraw/zinc/01/07/06/339010706.db2.gz MHGNCJQLGDLOAB-KRWDZBQOSA-N 1 1 321.509 3.639 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC000463191619 339108745 /nfs/dbraw/zinc/10/87/45/339108745.db2.gz IZXJLIHVJIWZHP-XLNTUCKNSA-N 1 1 312.457 3.710 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC000463191616 339108788 /nfs/dbraw/zinc/10/87/88/339108788.db2.gz IZXJLIHVJIWZHP-NMLACTOBSA-N 1 1 312.457 3.710 20 30 DHEDMO Oc1ccc2c(c1)C1(CC1)C[N@@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000463414502 339116882 /nfs/dbraw/zinc/11/68/82/339116882.db2.gz FWZFMBGSTJGKBK-UHFFFAOYSA-N 1 1 323.823 3.945 20 30 DHEDMO Oc1ccc2c(c1)C1(CC1)C[N@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000463414502 339116883 /nfs/dbraw/zinc/11/68/83/339116883.db2.gz FWZFMBGSTJGKBK-UHFFFAOYSA-N 1 1 323.823 3.945 20 30 DHEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000464731353 339150252 /nfs/dbraw/zinc/15/02/52/339150252.db2.gz FGJHQBCNTVFNAP-CRAIPNDOSA-N 1 1 313.445 3.787 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000466538184 339208712 /nfs/dbraw/zinc/20/87/12/339208712.db2.gz ASRGHOZCRDXASS-MSOLQXFVSA-N 1 1 318.436 3.651 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000466538184 339208713 /nfs/dbraw/zinc/20/87/13/339208713.db2.gz ASRGHOZCRDXASS-MSOLQXFVSA-N 1 1 318.436 3.651 20 30 DHEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000468280391 339258693 /nfs/dbraw/zinc/25/86/93/339258693.db2.gz HAGDJABCUCOTDI-SFHVURJKSA-N 1 1 324.399 3.913 20 30 DHEDMO C=CCCCCC[N@@H+](C)[C@H](C)c1nnnn1C1CCCCC1 ZINC000469598414 339294040 /nfs/dbraw/zinc/29/40/40/339294040.db2.gz HKOZIAVGIDZMMP-OAHLLOKOSA-N 1 1 305.470 3.918 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)c1nnnn1C1CCCCC1 ZINC000469598414 339294041 /nfs/dbraw/zinc/29/40/41/339294041.db2.gz HKOZIAVGIDZMMP-OAHLLOKOSA-N 1 1 305.470 3.918 20 30 DHEDMO C=CCOc1ccc(CN2CCC(C[NH2+]CC)CC2)cc1Cl ZINC000470003304 339308043 /nfs/dbraw/zinc/30/80/43/339308043.db2.gz PVCFNADBOCHFLX-UHFFFAOYSA-N 1 1 322.880 3.726 20 30 DHEDMO C=CCOCCC[N@@H+](C)Cc1ccc(F)cc1Br ZINC000470869318 339329614 /nfs/dbraw/zinc/32/96/14/339329614.db2.gz AQRHVIOGIODWLS-UHFFFAOYSA-N 1 1 316.214 3.613 20 30 DHEDMO C=CCOCCC[N@H+](C)Cc1ccc(F)cc1Br ZINC000470869318 339329615 /nfs/dbraw/zinc/32/96/15/339329615.db2.gz AQRHVIOGIODWLS-UHFFFAOYSA-N 1 1 316.214 3.613 20 30 DHEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCCN(c2ccccc2)C1 ZINC000471169999 339339328 /nfs/dbraw/zinc/33/93/28/339339328.db2.gz QRNICVRJUGHYDG-IBGZPJMESA-N 1 1 323.415 3.798 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000471889096 339356830 /nfs/dbraw/zinc/35/68/30/339356830.db2.gz NAZOQPCJZFUZBV-ATZDWAIDSA-N 1 1 319.408 3.648 20 30 DHEDMO C=CCN(CC=C)C(=O)C[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000473450444 339385613 /nfs/dbraw/zinc/38/56/13/339385613.db2.gz OCMZKHFZQDIBIA-UHFFFAOYSA-N 1 1 324.827 3.504 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C1CCCCC1 ZINC000473741681 339391141 /nfs/dbraw/zinc/39/11/41/339391141.db2.gz KBDOOQXFNKDITG-LJQANCHMSA-N 1 1 300.446 3.711 20 30 DHEDMO COC[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(Cl)cc1 ZINC000479439448 339535205 /nfs/dbraw/zinc/53/52/05/339535205.db2.gz QHQWITNRYOFXOV-INIZCTEOSA-N 1 1 318.779 3.828 20 30 DHEDMO Cn1cc([C@H]([NH2+]Cc2ccc(Cl)cc2C#N)C(C)(C)C)cn1 ZINC000480865159 339589012 /nfs/dbraw/zinc/58/90/12/339589012.db2.gz JBYADRBSWIPKCD-INIZCTEOSA-N 1 1 316.836 3.822 20 30 DHEDMO Cc1cc(C[NH2+][C@@H](COCC(C)C)c2ccco2)ccc1C#N ZINC000488298758 339776099 /nfs/dbraw/zinc/77/60/99/339776099.db2.gz MSEWUQCFVPUBKL-SFHVURJKSA-N 1 1 312.413 3.963 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000496671466 340010298 /nfs/dbraw/zinc/01/02/98/340010298.db2.gz HSRWIWLQAYKSCA-HUUCEWRRSA-N 1 1 323.481 3.551 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000497115153 340020698 /nfs/dbraw/zinc/02/06/98/340020698.db2.gz NMURUCZDPYBXBN-UHFFFAOYSA-N 1 1 309.335 3.899 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000499065308 340029104 /nfs/dbraw/zinc/02/91/04/340029104.db2.gz QYZOYLLXVASRRH-HRCADAONSA-N 1 1 320.502 3.629 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000499065308 340029105 /nfs/dbraw/zinc/02/91/05/340029105.db2.gz QYZOYLLXVASRRH-HRCADAONSA-N 1 1 320.502 3.629 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(-c3ccccc3)c2)C1=O ZINC000500447950 340059113 /nfs/dbraw/zinc/05/91/13/340059113.db2.gz OKKAXOUFYZWDAB-FQEVSTJZSA-N 1 1 320.436 3.572 20 30 DHEDMO C[N@H+](CCOc1cccc(Cl)c1)Cc1ccc(C#N)cc1F ZINC000501439687 340081147 /nfs/dbraw/zinc/08/11/47/340081147.db2.gz XKFVJZRBMKNDNN-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[N@@H+](CCOc1cccc(Cl)c1)Cc1ccc(C#N)cc1F ZINC000501439687 340081148 /nfs/dbraw/zinc/08/11/48/340081148.db2.gz XKFVJZRBMKNDNN-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[C@H](c1ccccc1F)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000502071982 340094721 /nfs/dbraw/zinc/09/47/21/340094721.db2.gz RANWLYPRBMAKBQ-MRXNPFEDSA-N 1 1 323.415 3.971 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NCc1ccccc1C ZINC000502469546 340104975 /nfs/dbraw/zinc/10/49/75/340104975.db2.gz SRTLVAHQVFPPPB-SFHVURJKSA-N 1 1 322.452 3.688 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NCc1ccccc1C ZINC000502469546 340104976 /nfs/dbraw/zinc/10/49/76/340104976.db2.gz SRTLVAHQVFPPPB-SFHVURJKSA-N 1 1 322.452 3.688 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000505044434 340159849 /nfs/dbraw/zinc/15/98/49/340159849.db2.gz BAXKNWTXHMEUTJ-MRXNPFEDSA-N 1 1 315.461 3.611 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1c(CC)nn(C)c1CC ZINC000506016555 340183427 /nfs/dbraw/zinc/18/34/27/340183427.db2.gz IWCKYRRZYFOOOR-UHFFFAOYSA-N 1 1 303.475 3.795 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1c(CC)nn(C)c1CC ZINC000506016555 340183428 /nfs/dbraw/zinc/18/34/28/340183428.db2.gz IWCKYRRZYFOOOR-UHFFFAOYSA-N 1 1 303.475 3.795 20 30 DHEDMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1cc(C#N)cs1 ZINC000506765181 340201353 /nfs/dbraw/zinc/20/13/53/340201353.db2.gz ARNMMXFBJIFGIR-UHFFFAOYSA-N 1 1 306.818 3.784 20 30 DHEDMO C[C@@H](C#N)C[N@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000506938119 340204099 /nfs/dbraw/zinc/20/40/99/340204099.db2.gz GIKOLFANLHXESI-KRWDZBQOSA-N 1 1 308.425 3.884 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000506938119 340204100 /nfs/dbraw/zinc/20/41/00/340204100.db2.gz GIKOLFANLHXESI-KRWDZBQOSA-N 1 1 308.425 3.884 20 30 DHEDMO CC(C)[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1F ZINC000507154971 340210117 /nfs/dbraw/zinc/21/01/17/340210117.db2.gz MFRANNYZFQYWCZ-UHFFFAOYSA-N 1 1 322.387 3.756 20 30 DHEDMO CC(C)[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1F ZINC000507154971 340210118 /nfs/dbraw/zinc/21/01/18/340210118.db2.gz MFRANNYZFQYWCZ-UHFFFAOYSA-N 1 1 322.387 3.756 20 30 DHEDMO Cc1ccccc1[C@@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000507181444 340211543 /nfs/dbraw/zinc/21/15/43/340211543.db2.gz QVBCKPOTPNZWQU-GOSISDBHSA-N 1 1 306.409 3.735 20 30 DHEDMO CC[C@@H]1C[C@@H](C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CCO1 ZINC000507814160 340232782 /nfs/dbraw/zinc/23/27/82/340232782.db2.gz QQLYMNYVKMBOHD-FXAWDEMLSA-N 1 1 310.441 3.853 20 30 DHEDMO CCC[N@H+](CC(=O)Nc1cccc(C)c1)Cc1ccc(C#N)cc1 ZINC000510013590 340285459 /nfs/dbraw/zinc/28/54/59/340285459.db2.gz UMZWRRALVRAPGM-UHFFFAOYSA-N 1 1 321.424 3.717 20 30 DHEDMO CCC[N@@H+](CC(=O)Nc1cccc(C)c1)Cc1ccc(C#N)cc1 ZINC000510013590 340285460 /nfs/dbraw/zinc/28/54/60/340285460.db2.gz UMZWRRALVRAPGM-UHFFFAOYSA-N 1 1 321.424 3.717 20 30 DHEDMO N#CC1(F)CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000510918048 340314723 /nfs/dbraw/zinc/31/47/23/340314723.db2.gz PBROIEVPRAEFOS-UHFFFAOYSA-N 1 1 317.191 3.700 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)C[C@H](C)CC ZINC000303447813 340325939 /nfs/dbraw/zinc/32/59/39/340325939.db2.gz HMVHODDEXQSHTQ-CABCVRRESA-N 1 1 308.491 3.629 20 30 DHEDMO C=CC[N@H+](C[C@@H](O)COCc1ccccc1)CC1CCCCC1 ZINC000303557546 340333543 /nfs/dbraw/zinc/33/35/43/340333543.db2.gz KRDIPTLMVIMLMP-HXUWFJFHSA-N 1 1 317.473 3.632 20 30 DHEDMO CC(C)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000303575746 340335171 /nfs/dbraw/zinc/33/51/71/340335171.db2.gz CNYLECZAYHHAGS-HZPDHXFCSA-N 1 1 313.445 3.643 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000511929463 340343100 /nfs/dbraw/zinc/34/31/00/340343100.db2.gz YTCZXAZMXXCUPW-INIZCTEOSA-N 1 1 306.409 3.979 20 30 DHEDMO C[C@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccc(C#N)cc1F ZINC000512280229 340355195 /nfs/dbraw/zinc/35/51/95/340355195.db2.gz ODPNASGZBREJLP-LBPRGKRZSA-N 1 1 324.355 3.766 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)Cc2cccc(C#N)c2F)cc1 ZINC000512451037 340362399 /nfs/dbraw/zinc/36/23/99/340362399.db2.gz XCENLIIXDJEIKY-UHFFFAOYSA-N 1 1 312.388 3.771 20 30 DHEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000512464335 340362772 /nfs/dbraw/zinc/36/27/72/340362772.db2.gz WNHMMWGFYFRHJH-CRAIPNDOSA-N 1 1 305.849 3.707 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](O)C1CCCCC1 ZINC000512556849 340366755 /nfs/dbraw/zinc/36/67/55/340366755.db2.gz HOBBAEFMKBARQG-IBGZPJMESA-N 1 1 319.493 3.783 20 30 DHEDMO C[C@H](N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512610542 340368939 /nfs/dbraw/zinc/36/89/39/340368939.db2.gz CBDSAEGQAVOHKY-PNHOKKKMSA-N 1 1 323.415 3.793 20 30 DHEDMO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512610542 340368940 /nfs/dbraw/zinc/36/89/40/340368940.db2.gz CBDSAEGQAVOHKY-PNHOKKKMSA-N 1 1 323.415 3.793 20 30 DHEDMO CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000512665886 340371919 /nfs/dbraw/zinc/37/19/19/340371919.db2.gz HVGBSKHZVHWWRK-NVXWUHKLSA-N 1 1 317.452 3.716 20 30 DHEDMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)Cc1cnccn1 ZINC000174637929 340393467 /nfs/dbraw/zinc/39/34/67/340393467.db2.gz PFLNLCVKKXTSAG-UHFFFAOYSA-N 1 1 314.392 3.647 20 30 DHEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)Cc1cnccn1 ZINC000174637929 340393468 /nfs/dbraw/zinc/39/34/68/340393468.db2.gz PFLNLCVKKXTSAG-UHFFFAOYSA-N 1 1 314.392 3.647 20 30 DHEDMO C=CC[N@H+](CCCC(C)(C)C#N)Cc1cccc([N+](=O)[O-])c1 ZINC000174835152 340397137 /nfs/dbraw/zinc/39/71/37/340397137.db2.gz GVDGOFCCXAXBOF-UHFFFAOYSA-N 1 1 301.390 3.913 20 30 DHEDMO C=CCC(CC=C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000176894443 340433572 /nfs/dbraw/zinc/43/35/72/340433572.db2.gz YAVMNIWYVDRIER-QGZVFWFLSA-N 1 1 320.864 3.827 20 30 DHEDMO C=CC[NH+](CC=C)Cc1cnc2c(C)cc(Br)cn12 ZINC000541534920 340973019 /nfs/dbraw/zinc/97/30/19/340973019.db2.gz GOAASTGAFYNPOF-UHFFFAOYSA-N 1 1 320.234 3.579 20 30 DHEDMO C=C(C)C[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000071012579 341021156 /nfs/dbraw/zinc/02/11/56/341021156.db2.gz GUEBGOFGYOWLTI-UHFFFAOYSA-N 1 1 314.351 3.930 20 30 DHEDMO COc1cc2c(c(C[N@H+](C)Cc3cccc(C#N)c3)c1)O[C@@H](C)C2 ZINC000130744085 341040375 /nfs/dbraw/zinc/04/03/75/341040375.db2.gz HPLUPJBRCFIVSR-AWEZNQCLSA-N 1 1 322.408 3.522 20 30 DHEDMO COc1cc2c(c(C[N@@H+](C)Cc3cccc(C#N)c3)c1)O[C@@H](C)C2 ZINC000130744085 341040376 /nfs/dbraw/zinc/04/03/76/341040376.db2.gz HPLUPJBRCFIVSR-AWEZNQCLSA-N 1 1 322.408 3.522 20 30 DHEDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000130750360 341040783 /nfs/dbraw/zinc/04/07/83/341040783.db2.gz SFCPPFLPZPVNSQ-WEVVVXLNSA-N 1 1 307.353 3.612 20 30 DHEDMO COc1ccc2oc(C[N@@H+](C)Cc3cccc(C#N)c3)cc2c1 ZINC000130790909 341044736 /nfs/dbraw/zinc/04/47/36/341044736.db2.gz CWZLMBSGILUTBK-UHFFFAOYSA-N 1 1 306.365 3.945 20 30 DHEDMO N#CCC1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000543806251 341059710 /nfs/dbraw/zinc/05/97/10/341059710.db2.gz AJYVQEQNAQJBSE-UHFFFAOYSA-N 1 1 311.198 3.714 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C(C)(C)C)C2)c(C#N)c1C ZINC000544186100 341073519 /nfs/dbraw/zinc/07/35/19/341073519.db2.gz ODKAVCNEJVYLQT-CYBMUJFWSA-N 1 1 319.474 3.543 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131766952 341111341 /nfs/dbraw/zinc/11/13/41/341111341.db2.gz TZTOZNBRGJANBY-SFHVURJKSA-N 1 1 321.424 3.536 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000132473083 341123936 /nfs/dbraw/zinc/12/39/36/341123936.db2.gz VYHMXNXBSSRBKG-QGZVFWFLSA-N 1 1 309.384 3.675 20 30 DHEDMO CCC(CC)[C@H](C[NH2+]Cc1cc(C#N)cs1)N1CCCC1 ZINC000236694655 341194886 /nfs/dbraw/zinc/19/48/86/341194886.db2.gz JEEQOBSEINFSNT-KRWDZBQOSA-N 1 1 305.491 3.610 20 30 DHEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCC(C)(C)C#N ZINC000134625272 341220259 /nfs/dbraw/zinc/22/02/59/341220259.db2.gz AKHJNZUKAGCYQF-LSDHHAIUSA-N 1 1 323.481 3.694 20 30 DHEDMO C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000080206558 341270777 /nfs/dbraw/zinc/27/07/77/341270777.db2.gz BIAOYXIVUHCRAV-KRWDZBQOSA-N 1 1 307.441 3.558 20 30 DHEDMO C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000080206558 341270779 /nfs/dbraw/zinc/27/07/79/341270779.db2.gz BIAOYXIVUHCRAV-KRWDZBQOSA-N 1 1 307.441 3.558 20 30 DHEDMO CCOC(=O)C1CCC([N@@H+](CC)CCCC(C)(C)C#N)CC1 ZINC000548944146 341282012 /nfs/dbraw/zinc/28/20/12/341282012.db2.gz HRBDTWHQILMOCO-UHFFFAOYSA-N 1 1 308.466 3.760 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000245416484 341292452 /nfs/dbraw/zinc/29/24/52/341292452.db2.gz FESDLPXDCGDQLS-MGPUTAFESA-N 1 1 322.408 3.639 20 30 DHEDMO CC(C)c1ccc(C[C@@H]2CC[N@@H+](CCOCCC#N)C2)cc1 ZINC000549556453 341297654 /nfs/dbraw/zinc/29/76/54/341297654.db2.gz YMPMJLJEJYPNIB-SFHVURJKSA-N 1 1 300.446 3.605 20 30 DHEDMO N#Cc1ccc(F)c(C[NH+]2CCC(CC(F)(F)F)CC2)c1 ZINC000551406667 341340726 /nfs/dbraw/zinc/34/07/26/341340726.db2.gz OEDZGBLYNWQXSJ-UHFFFAOYSA-N 1 1 300.299 3.862 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c(C#N)c1C ZINC000246400097 341347415 /nfs/dbraw/zinc/34/74/15/341347415.db2.gz QNFKBZHLTPIKAL-RISCZKNCSA-N 1 1 319.474 3.686 20 30 DHEDMO Cc1n[nH]cc1C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000551717550 341349861 /nfs/dbraw/zinc/34/98/61/341349861.db2.gz SHCAMOXJGOFURK-UHFFFAOYSA-N 1 1 313.832 3.603 20 30 DHEDMO C=CCc1cc(C[N@H+]2CC[C@H](CC3CC3)C2)cc(OC)c1O ZINC000552138365 341372555 /nfs/dbraw/zinc/37/25/55/341372555.db2.gz OGENRKGYOWJNPP-OAHLLOKOSA-N 1 1 301.430 3.751 20 30 DHEDMO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000248403837 341376604 /nfs/dbraw/zinc/37/66/04/341376604.db2.gz PFYIDFYOESMIAI-BXWFABGCSA-N 1 1 311.473 3.862 20 30 DHEDMO C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000248403837 341376605 /nfs/dbraw/zinc/37/66/05/341376605.db2.gz PFYIDFYOESMIAI-BXWFABGCSA-N 1 1 311.473 3.862 20 30 DHEDMO C=CCOc1cccc(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)c1 ZINC000566339430 341554549 /nfs/dbraw/zinc/55/45/49/341554549.db2.gz QRUAVZIKOQQFBY-KUHUBIRLSA-N 1 1 315.388 3.602 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccccc1CO)c1ccc(C#N)cc1Cl ZINC000568007871 341645200 /nfs/dbraw/zinc/64/52/00/341645200.db2.gz QBTLTSLOWFWYCG-GFCCVEGCSA-N 1 1 300.789 3.555 20 30 DHEDMO CN(c1ccccc1)C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000171381490 341776694 /nfs/dbraw/zinc/77/66/94/341776694.db2.gz IMUKBBXRQOQRJI-UHFFFAOYSA-N 1 1 323.415 3.798 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(O)c1 ZINC000119257173 521682440 /nfs/dbraw/zinc/68/24/40/521682440.db2.gz RIHORKXDTMLVER-UHFFFAOYSA-N 1 1 310.397 3.685 20 30 DHEDMO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccc(Cl)nc1 ZINC000156641835 522782436 /nfs/dbraw/zinc/78/24/36/522782436.db2.gz UAGXDSTYMCSTFM-UHFFFAOYSA-N 1 1 315.804 3.508 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)o1 ZINC000130942460 523016569 /nfs/dbraw/zinc/01/65/69/523016569.db2.gz XXXPPTDRGHPTEC-KRWDZBQOSA-N 1 1 314.360 3.774 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)o1 ZINC000130942460 523016582 /nfs/dbraw/zinc/01/65/82/523016582.db2.gz XXXPPTDRGHPTEC-KRWDZBQOSA-N 1 1 314.360 3.774 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000339383158 523528456 /nfs/dbraw/zinc/52/84/56/523528456.db2.gz YNNQGPZRZOLMHN-HNNXBMFYSA-N 1 1 310.372 3.695 20 30 DHEDMO C[N@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000158196778 523576020 /nfs/dbraw/zinc/57/60/20/523576020.db2.gz BCNBFVJLUKWXLN-UHFFFAOYSA-N 1 1 303.365 3.845 20 30 DHEDMO C[N@@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000158196778 523576033 /nfs/dbraw/zinc/57/60/33/523576033.db2.gz BCNBFVJLUKWXLN-UHFFFAOYSA-N 1 1 303.365 3.845 20 30 DHEDMO COCC[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)Cc1ccc(C#N)cc1 ZINC000339317266 523749888 /nfs/dbraw/zinc/74/98/88/523749888.db2.gz MKNAJAGOXONGNV-HNAYVOBHSA-N 1 1 324.424 3.923 20 30 DHEDMO COCC[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)Cc1ccc(C#N)cc1 ZINC000339317266 523749892 /nfs/dbraw/zinc/74/98/92/523749892.db2.gz MKNAJAGOXONGNV-HNAYVOBHSA-N 1 1 324.424 3.923 20 30 DHEDMO CCc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000007420073 523922438 /nfs/dbraw/zinc/92/24/38/523922438.db2.gz WDODCTMKAHCAGT-HNNXBMFYSA-N 1 1 321.424 3.580 20 30 DHEDMO CCc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000007420073 523922445 /nfs/dbraw/zinc/92/24/45/523922445.db2.gz WDODCTMKAHCAGT-HNNXBMFYSA-N 1 1 321.424 3.580 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000156745926 526044485 /nfs/dbraw/zinc/04/44/85/526044485.db2.gz BFZHHCVIOJXWSV-PBHICJAKSA-N 1 1 314.429 3.673 20 30 DHEDMO C[C@H](c1ccco1)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179929309 526147159 /nfs/dbraw/zinc/14/71/59/526147159.db2.gz XWBLHKWCGIFPTB-CQSZACIVSA-N 1 1 320.396 3.745 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC34CCCC4)o2)cc1 ZINC000364867063 526584281 /nfs/dbraw/zinc/58/42/81/526584281.db2.gz XQQMITIHZIXNIN-UHFFFAOYSA-N 1 1 308.385 3.517 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+](CCCO)[C@H]2CCc3ccccc32)c1 ZINC000265212502 526636685 /nfs/dbraw/zinc/63/66/85/526636685.db2.gz MBNMPCVLCVFAQW-FQEVSTJZSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000102928785 526637910 /nfs/dbraw/zinc/63/79/10/526637910.db2.gz PCQXWSCAEALWJK-QGZVFWFLSA-N 1 1 324.355 3.763 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000102928785 526637913 /nfs/dbraw/zinc/63/79/13/526637913.db2.gz PCQXWSCAEALWJK-QGZVFWFLSA-N 1 1 324.355 3.763 20 30 DHEDMO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191426938 526679999 /nfs/dbraw/zinc/67/99/99/526679999.db2.gz XLNBJDIDOUASCV-ZDUSSCGKSA-N 1 1 316.474 3.978 20 30 DHEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000120889157 535819013 /nfs/dbraw/zinc/81/90/13/535819013.db2.gz HHKNUEXGYAWEKM-GDBMZVCRSA-N 1 1 317.433 3.607 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1cc(Cl)cc(-c2nn[nH]n2)c1 ZINC001573335527 947479451 /nfs/dbraw/zinc/47/94/51/947479451.db2.gz QQSCPNQUAKUUFC-UHFFFAOYSA-N 1 1 319.840 3.698 20 30 DHEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000931177594 1032063535 /nfs/dbraw/zinc/06/35/35/1032063535.db2.gz IPVPIMXTKRUBMF-RDHHWEPZSA-N 1 1 320.477 3.616 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)CC1CCCC1 ZINC001167116895 1013190965 /nfs/dbraw/zinc/19/09/65/1013190965.db2.gz XWNHUMJEUIFOKG-GOSISDBHSA-N 1 1 303.446 3.624 20 30 DHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000519002401 1013256687 /nfs/dbraw/zinc/25/66/87/1013256687.db2.gz PMGARLKKEMICNJ-NZSAHSFTSA-N 1 1 317.473 3.665 20 30 DHEDMO C=CCCCCC[N@@H+]1CC[C@@H](C(=O)OC)[C@@H]1c1ccccc1 ZINC001209422749 1013259688 /nfs/dbraw/zinc/25/96/88/1013259688.db2.gz HKFASZUPBLAPHN-MSOLQXFVSA-N 1 1 301.430 3.969 20 30 DHEDMO C=CC[N@@H+](CCOC1CCSCC1)Cc1ccccc1F ZINC001167138520 1013277899 /nfs/dbraw/zinc/27/78/99/1013277899.db2.gz NGXULUAAXLQCGN-UHFFFAOYSA-N 1 1 309.450 3.726 20 30 DHEDMO C=CC[N@H+](CCOC1CCSCC1)Cc1ccccc1F ZINC001167138520 1013277901 /nfs/dbraw/zinc/27/79/01/1013277901.db2.gz NGXULUAAXLQCGN-UHFFFAOYSA-N 1 1 309.450 3.726 20 30 DHEDMO C=CCCCCCC[N@@H+]1CCC12CN(C(=O)OC(C)(C)C)C2 ZINC001209431844 1013273252 /nfs/dbraw/zinc/27/32/52/1013273252.db2.gz UXNAWRGDAFRPSZ-UHFFFAOYSA-N 1 1 308.466 3.818 20 30 DHEDMO C=CCCCCC[N@@H+]1CC[C@@](F)(CNC(=O)OC(C)(C)C)C1 ZINC001209432576 1013274766 /nfs/dbraw/zinc/27/47/66/1013274766.db2.gz HFJXHUGZOUPKHY-QGZVFWFLSA-N 1 1 314.445 3.672 20 30 DHEDMO C=CCCCCC[N@H+]1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001209432729 1013275110 /nfs/dbraw/zinc/27/51/10/1013275110.db2.gz JQGYMGPHTQXCSF-GOSISDBHSA-N 1 1 312.457 3.853 20 30 DHEDMO C=CCCCCCC[N@@H+]1CCc2nc(C(=O)OCC)sc2C1 ZINC001209441123 1013287910 /nfs/dbraw/zinc/28/79/10/1013287910.db2.gz SXAXZQUPRDNAOM-UHFFFAOYSA-N 1 1 322.474 3.814 20 30 DHEDMO C=CCCCCCC[N@H+]1CCc2nc(C(=O)OCC)sc2C1 ZINC001209441123 1013287915 /nfs/dbraw/zinc/28/79/15/1013287915.db2.gz SXAXZQUPRDNAOM-UHFFFAOYSA-N 1 1 322.474 3.814 20 30 DHEDMO C=CCCCCCCC[N@@H+]1CC[C@@H](Oc2nccnc2C)C1 ZINC001209442793 1013290505 /nfs/dbraw/zinc/29/05/05/1013290505.db2.gz WMWWANJJNQNAGQ-QGZVFWFLSA-N 1 1 303.450 3.765 20 30 DHEDMO C=CCCCCCCCC[NH+]1CCN(C2CCOCC2)CC1 ZINC001209443713 1013293085 /nfs/dbraw/zinc/29/30/85/1013293085.db2.gz FWNXXWYXWAWXQV-UHFFFAOYSA-N 1 1 308.510 3.700 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000247065590 1013339114 /nfs/dbraw/zinc/33/91/14/1013339114.db2.gz WIZOGWAFMWJIPC-KUHUBIRLSA-N 1 1 310.372 3.659 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000247065590 1013339120 /nfs/dbraw/zinc/33/91/20/1013339120.db2.gz WIZOGWAFMWJIPC-KUHUBIRLSA-N 1 1 310.372 3.659 20 30 DHEDMO C[C@H](C[N@@H+](Cc1csc(C#N)c1)[C@@H](C)CO)c1ccccc1 ZINC000894509515 1013399451 /nfs/dbraw/zinc/39/94/51/1013399451.db2.gz DMVPDOSIBDZESK-CABCVRRESA-N 1 1 314.454 3.606 20 30 DHEDMO CCN(CC#N)C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167268196 1013484872 /nfs/dbraw/zinc/48/48/72/1013484872.db2.gz WMSQELLIGACOSH-NRFANRHFSA-N 1 1 321.468 3.748 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2OC)cc1C ZINC000120831795 1013520376 /nfs/dbraw/zinc/52/03/76/1013520376.db2.gz QBEMGUJUAQDSDN-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO N#Cc1cc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)ccc1F ZINC000120848298 1013528429 /nfs/dbraw/zinc/52/84/29/1013528429.db2.gz VLNJGGRXHBEMGZ-HXUWFJFHSA-N 1 1 324.399 3.569 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000472580933 1013579326 /nfs/dbraw/zinc/57/93/26/1013579326.db2.gz LYWYXOKASHCLSX-HZPDHXFCSA-N 1 1 311.878 3.757 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000535971584 1013609720 /nfs/dbraw/zinc/60/97/20/1013609720.db2.gz GEDZXEFQGPFKBN-UHFFFAOYSA-N 1 1 324.424 3.986 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000535971584 1013609725 /nfs/dbraw/zinc/60/97/25/1013609725.db2.gz GEDZXEFQGPFKBN-UHFFFAOYSA-N 1 1 324.424 3.986 20 30 DHEDMO Clc1ccccc1C#CC[NH+]1CCC(OCC2CC2)CC1 ZINC000441155473 1013676319 /nfs/dbraw/zinc/67/63/19/1013676319.db2.gz OYYDSZGWUJXHMD-UHFFFAOYSA-N 1 1 303.833 3.583 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000441342261 1013721410 /nfs/dbraw/zinc/72/14/10/1013721410.db2.gz YNTWWIHGJSGNRB-UHFFFAOYSA-N 1 1 316.489 3.629 20 30 DHEDMO Cc1csc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)n1 ZINC000080273564 1013910734 /nfs/dbraw/zinc/91/07/34/1013910734.db2.gz VHLZVGAULIISMN-CHWSQXEVSA-N 1 1 301.415 3.766 20 30 DHEDMO Cc1ccccc1C[NH+]1CCC(NCc2ccc(C#N)cc2)CC1 ZINC000048716615 1013931655 /nfs/dbraw/zinc/93/16/55/1013931655.db2.gz WEDSCMCCZVQMMT-UHFFFAOYSA-N 1 1 319.452 3.621 20 30 DHEDMO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)s1 ZINC000175858581 1013944366 /nfs/dbraw/zinc/94/43/66/1013944366.db2.gz YSLDZBDAMGXVMA-DGCLKSJQSA-N 1 1 301.415 3.593 20 30 DHEDMO CC(C)COC[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccco1 ZINC000177693718 1013995122 /nfs/dbraw/zinc/99/51/22/1013995122.db2.gz WURXFEGFNYBNNT-HNNXBMFYSA-N 1 1 304.415 3.716 20 30 DHEDMO C=C(C)C[N@@H+](CC)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000124168247 1014040786 /nfs/dbraw/zinc/04/07/86/1014040786.db2.gz HMPGGYIGYRRZQI-NSHDSACASA-N 1 1 304.463 3.849 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000124168247 1014040788 /nfs/dbraw/zinc/04/07/88/1014040788.db2.gz HMPGGYIGYRRZQI-NSHDSACASA-N 1 1 304.463 3.849 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)s1 ZINC000119059252 1014106652 /nfs/dbraw/zinc/10/66/52/1014106652.db2.gz LCDXGJMQDLRNIB-INIZCTEOSA-N 1 1 312.438 3.801 20 30 DHEDMO N#CCC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000155734123 1014114358 /nfs/dbraw/zinc/11/43/58/1014114358.db2.gz CBSLVPRWHCNXML-UHFFFAOYSA-N 1 1 313.228 3.888 20 30 DHEDMO CC1(C)Cc2cccc(C[NH2+]Cc3ccc(C#N)cc3F)c2O1 ZINC000119116087 1014142750 /nfs/dbraw/zinc/14/27/50/1014142750.db2.gz ZUCBUUNOMYRBCA-UHFFFAOYSA-N 1 1 310.372 3.701 20 30 DHEDMO COc1ccnc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000359384394 1014168722 /nfs/dbraw/zinc/16/87/22/1014168722.db2.gz GJTUGVCAVBXCNQ-UHFFFAOYSA-N 1 1 309.413 3.620 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000441467598 1014181017 /nfs/dbraw/zinc/18/10/17/1014181017.db2.gz FPIYFOUBTYOFAW-HYVNUMGLSA-N 1 1 314.429 3.599 20 30 DHEDMO CCc1ccc(C2=CC[N@H+](Cc3ccc(C#N)cn3)CC2)cc1 ZINC000579727771 1014232315 /nfs/dbraw/zinc/23/23/15/1014232315.db2.gz XDZBMBXTTYWNOK-UHFFFAOYSA-N 1 1 303.409 3.805 20 30 DHEDMO CCc1ccc(C2=CC[N@@H+](Cc3ccc(C#N)cn3)CC2)cc1 ZINC000579727771 1014232322 /nfs/dbraw/zinc/23/23/22/1014232322.db2.gz XDZBMBXTTYWNOK-UHFFFAOYSA-N 1 1 303.409 3.805 20 30 DHEDMO CCCCCCCC[N@H+](CCN)[C@@H]1CCc2ncsc2C1 ZINC001173141442 1033567358 /nfs/dbraw/zinc/56/73/58/1033567358.db2.gz PWWFZUIRWYMRGW-OAHLLOKOSA-N 1 1 309.523 3.622 20 30 DHEDMO CCCCCCCC[N@@H+](CCN)[C@@H]1CCc2ncsc2C1 ZINC001173141442 1033567370 /nfs/dbraw/zinc/56/73/70/1033567370.db2.gz PWWFZUIRWYMRGW-OAHLLOKOSA-N 1 1 309.523 3.622 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000929123931 1031533838 /nfs/dbraw/zinc/53/38/38/1031533838.db2.gz FSDVWQFSVCBWGJ-GFCCVEGCSA-N 1 1 302.727 3.986 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000929123931 1031533861 /nfs/dbraw/zinc/53/38/61/1031533861.db2.gz FSDVWQFSVCBWGJ-GFCCVEGCSA-N 1 1 302.727 3.986 20 30 DHEDMO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000175858550 1014364325 /nfs/dbraw/zinc/36/43/25/1014364325.db2.gz YSLDZBDAMGXVMA-WCQYABFASA-N 1 1 301.415 3.593 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cc1N(C)C ZINC000177860292 1014468709 /nfs/dbraw/zinc/46/87/09/1014468709.db2.gz RGJAJFPACWOZNR-GFCCVEGCSA-N 1 1 315.367 3.753 20 30 DHEDMO CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1OC(F)F ZINC000127789651 1014500948 /nfs/dbraw/zinc/50/09/48/1014500948.db2.gz PIPNLYNZLYIZIK-OCCSQVGLSA-N 1 1 307.344 3.772 20 30 DHEDMO C=CCCCS(=O)(=O)Nc1cccc2c1C[N@H+](CCCC)C2 ZINC000427766615 1014526495 /nfs/dbraw/zinc/52/64/95/1014526495.db2.gz OARYVXPTKYJQKM-UHFFFAOYSA-N 1 1 322.474 3.510 20 30 DHEDMO C=CCCCS(=O)(=O)Nc1cccc2c1C[N@@H+](CCCC)C2 ZINC000427766615 1014526499 /nfs/dbraw/zinc/52/64/99/1014526499.db2.gz OARYVXPTKYJQKM-UHFFFAOYSA-N 1 1 322.474 3.510 20 30 DHEDMO C=CCC[C@@H](C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000427809911 1014530486 /nfs/dbraw/zinc/53/04/86/1014530486.db2.gz WRUNAQYIPKNYKY-RTBURBONSA-N 1 1 314.473 3.725 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCC[C@@H](C3CCOCC3)C2)CCC1 ZINC000933087944 1014560963 /nfs/dbraw/zinc/56/09/63/1014560963.db2.gz JHUAWGNKSWJCGZ-GOSISDBHSA-N 1 1 304.478 3.989 20 30 DHEDMO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000610487610 1014635134 /nfs/dbraw/zinc/63/51/34/1014635134.db2.gz PJPIGLJVDHONBJ-UHFFFAOYSA-N 1 1 302.381 3.580 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+](CCC)[C@H]1CCc2ccccc21 ZINC000521192615 1014660851 /nfs/dbraw/zinc/66/08/51/1014660851.db2.gz GYXYEOCOJVFHFO-IBGZPJMESA-N 1 1 312.457 3.587 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000276094397 1014674899 /nfs/dbraw/zinc/67/48/99/1014674899.db2.gz DHRMUCDVHXAHEI-XKGZKEIXSA-N 1 1 314.473 3.616 20 30 DHEDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442780722 1014730326 /nfs/dbraw/zinc/73/03/26/1014730326.db2.gz NITKIJIZNIZIEY-QFBILLFUSA-N 1 1 323.440 3.693 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([NH2+]Cc2csc(CCc3ccccc3)n2)C1 ZINC000442777950 1014730470 /nfs/dbraw/zinc/73/04/70/1014730470.db2.gz JILSXZUJXFJDAC-HZPDHXFCSA-N 1 1 311.454 3.710 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@@H](C)c1cccc(O)c1 ZINC000442799968 1014737501 /nfs/dbraw/zinc/73/75/01/1014737501.db2.gz JJAZHQZEYWRZPJ-AWEZNQCLSA-N 1 1 310.397 3.856 20 30 DHEDMO COc1cc(C[N@@H+](C)[C@@H]2CCc3ccccc3C2)ccc1C#N ZINC000442884932 1014763196 /nfs/dbraw/zinc/76/31/96/1014763196.db2.gz ZZKISNITCIJARX-LJQANCHMSA-N 1 1 306.409 3.556 20 30 DHEDMO C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)[C@H]2CCCC[C@H]12 ZINC000521816917 1014807539 /nfs/dbraw/zinc/80/75/39/1014807539.db2.gz LBSQQBPSUHYRNQ-KURKYZTESA-N 1 1 304.478 3.988 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]CCN1[C@H](C)CCC[C@H]1C ZINC000521843783 1014815213 /nfs/dbraw/zinc/81/52/13/1014815213.db2.gz ZSSQRQFAXMUZCF-IAGOWNOFSA-N 1 1 302.462 3.604 20 30 DHEDMO C=CCCCC[N@H+](C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173191903 1033583977 /nfs/dbraw/zinc/58/39/77/1033583977.db2.gz HJPGCISAVYEURV-CYBMUJFWSA-N 1 1 324.396 3.962 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000121115996 1014994415 /nfs/dbraw/zinc/99/44/15/1014994415.db2.gz FYPGDCGHXVEHIP-UHFFFAOYSA-N 1 1 306.365 3.945 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1cc2ccccc2o1 ZINC000121115996 1014994410 /nfs/dbraw/zinc/99/44/10/1014994410.db2.gz FYPGDCGHXVEHIP-UHFFFAOYSA-N 1 1 306.365 3.945 20 30 DHEDMO Cc1cc(NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc(C#N)n1 ZINC000308277909 1015026671 /nfs/dbraw/zinc/02/66/71/1015026671.db2.gz LOKPSVFRRPWXQO-FQEVSTJZSA-N 1 1 320.440 3.586 20 30 DHEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000443620098 1015036498 /nfs/dbraw/zinc/03/64/98/1015036498.db2.gz IMHYQZBPBIVOFO-AWEZNQCLSA-N 1 1 301.352 3.507 20 30 DHEDMO Cc1cc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C#N)n1 ZINC000308280745 1015055112 /nfs/dbraw/zinc/05/51/12/1015055112.db2.gz SATLSCCMVVIGSX-SJLPKXTDSA-N 1 1 320.440 3.584 20 30 DHEDMO C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC(C)C)cc2)CC1 ZINC000106245465 1015181234 /nfs/dbraw/zinc/18/12/34/1015181234.db2.gz DPFFDQPSXAYOFU-UHFFFAOYSA-N 1 1 302.462 3.604 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2ccc(OC(C)C)cc2)CC1 ZINC000106245465 1015181239 /nfs/dbraw/zinc/18/12/39/1015181239.db2.gz DPFFDQPSXAYOFU-UHFFFAOYSA-N 1 1 302.462 3.604 20 30 DHEDMO N#CCc1cccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000313477076 1015200010 /nfs/dbraw/zinc/20/00/10/1015200010.db2.gz KUSJPWOKZLPPIZ-FQEVSTJZSA-N 1 1 305.425 3.829 20 30 DHEDMO C=CC[N@@H+](Cc1oc(-c2ccccc2)nc1C)[C@H](C)COC ZINC000639784459 1015217109 /nfs/dbraw/zinc/21/71/09/1015217109.db2.gz HNIYNGWAPAMESI-CQSZACIVSA-N 1 1 300.402 3.673 20 30 DHEDMO C[N@H+](CCC#N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000083218066 1015472742 /nfs/dbraw/zinc/47/27/42/1015472742.db2.gz IPDDNIAVGWNCKR-UHFFFAOYSA-N 1 1 323.396 3.653 20 30 DHEDMO C[N@@H+](CCC#N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000083218066 1015472750 /nfs/dbraw/zinc/47/27/50/1015472750.db2.gz IPDDNIAVGWNCKR-UHFFFAOYSA-N 1 1 323.396 3.653 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2cc(C#N)ccn2)C1 ZINC000341564017 1015533538 /nfs/dbraw/zinc/53/35/38/1015533538.db2.gz MOEVEOAQPMRFKY-INIZCTEOSA-N 1 1 320.440 3.797 20 30 DHEDMO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(Br)ccc1C#N ZINC001141901400 1015647105 /nfs/dbraw/zinc/64/71/05/1015647105.db2.gz VBUDSUPEOVVACQ-NWDGAFQWSA-N 1 1 307.235 3.941 20 30 DHEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(Br)ccc1C#N ZINC001141901400 1015647111 /nfs/dbraw/zinc/64/71/11/1015647111.db2.gz VBUDSUPEOVVACQ-NWDGAFQWSA-N 1 1 307.235 3.941 20 30 DHEDMO C[N@@H+](CCCCC(=O)OC(C)(C)C)Cc1cc(C#N)cs1 ZINC000933773832 1015662655 /nfs/dbraw/zinc/66/26/55/1015662655.db2.gz ROQLCFVPCUVUFH-UHFFFAOYSA-N 1 1 308.447 3.564 20 30 DHEDMO C[N@H+](Cc1ccsc1)Cc1ccc(C#N)cc1OC(F)F ZINC000610613354 1015667250 /nfs/dbraw/zinc/66/72/50/1015667250.db2.gz CLSUGQIUABJZOT-UHFFFAOYSA-N 1 1 308.353 3.853 20 30 DHEDMO C[N@@H+](Cc1ccsc1)Cc1ccc(C#N)cc1OC(F)F ZINC000610613354 1015667253 /nfs/dbraw/zinc/66/72/53/1015667253.db2.gz CLSUGQIUABJZOT-UHFFFAOYSA-N 1 1 308.353 3.853 20 30 DHEDMO C[C@@H](c1cccc(NCC#Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000276802173 1015664387 /nfs/dbraw/zinc/66/43/87/1015664387.db2.gz KOYABWIPVDDRDN-SFHVURJKSA-N 1 1 320.436 3.543 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC1CC[NH+](C2CCCC2)CC1 ZINC000341703950 1015685568 /nfs/dbraw/zinc/68/55/68/1015685568.db2.gz CYMSQYAEIBULIE-NRFANRHFSA-N 1 1 323.484 3.932 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2cnc(-c3ccncc3)s2)c(F)c1 ZINC000610652030 1015689588 /nfs/dbraw/zinc/68/95/88/1015689588.db2.gz SGUZPXYSDRQUCW-UHFFFAOYSA-N 1 1 324.384 3.506 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276871236 1015721306 /nfs/dbraw/zinc/72/13/06/1015721306.db2.gz DSTXUTVYAWKOBV-YVWKXTFCSA-N 1 1 314.473 3.616 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2[nH]cnc2c1 ZINC000535790162 1015825216 /nfs/dbraw/zinc/82/52/16/1015825216.db2.gz QJOLNFUOUASXLB-UHFFFAOYSA-N 1 1 304.397 3.847 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2nc[nH]c2c1 ZINC000535790162 1015825222 /nfs/dbraw/zinc/82/52/22/1015825222.db2.gz QJOLNFUOUASXLB-UHFFFAOYSA-N 1 1 304.397 3.847 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2nc[nH]c2c1 ZINC000535790162 1015825230 /nfs/dbraw/zinc/82/52/30/1015825230.db2.gz QJOLNFUOUASXLB-UHFFFAOYSA-N 1 1 304.397 3.847 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3nc4ccccc4s3)CC2)c1 ZINC000341949980 1015855767 /nfs/dbraw/zinc/85/57/67/1015855767.db2.gz YLGZFTLCRYTVGN-UHFFFAOYSA-N 1 1 305.406 3.947 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](c3ccccc3C)C2)cc1C#N ZINC000610992345 1016000314 /nfs/dbraw/zinc/00/03/14/1016000314.db2.gz WLXDFOCPYKFEAC-KRWDZBQOSA-N 1 1 306.409 3.865 20 30 DHEDMO C[C@H]1SCC[N@H+](Cc2ccnc(C#N)c2)[C@H]1c1ccccc1 ZINC000610993088 1016006332 /nfs/dbraw/zinc/00/63/32/1016006332.db2.gz CDMVUQMSIOBGSV-RDTXWAMCSA-N 1 1 309.438 3.632 20 30 DHEDMO C[C@H]1SCC[N@@H+](Cc2ccnc(C#N)c2)[C@H]1c1ccccc1 ZINC000610993088 1016006344 /nfs/dbraw/zinc/00/63/44/1016006344.db2.gz CDMVUQMSIOBGSV-RDTXWAMCSA-N 1 1 309.438 3.632 20 30 DHEDMO C=CC[N@H+](CC/C=C/CC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000342245427 1016181617 /nfs/dbraw/zinc/18/16/17/1016181617.db2.gz IXANPFKWRYOIIA-MOEXGYKKSA-N 1 1 311.433 3.568 20 30 DHEDMO CCC[N@@H+](Cc1csc(C#N)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000892102612 1016224688 /nfs/dbraw/zinc/22/46/88/1016224688.db2.gz STIRQVLEGHULRC-ARFHVFGLSA-N 1 1 304.459 3.645 20 30 DHEDMO CC[C@H]([NH2+]Cc1cc(C)cc(Cl)n1)c1cccc(C#N)c1O ZINC000926362736 1016308698 /nfs/dbraw/zinc/30/86/98/1016308698.db2.gz UXEIAOBWLYCQTR-HNNXBMFYSA-N 1 1 315.804 3.862 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cn2ccnc2s1 ZINC000892201974 1016420173 /nfs/dbraw/zinc/42/01/73/1016420173.db2.gz OKOGITQTCUMNBI-DLBZAZTESA-N 1 1 322.437 3.668 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cn2ccnc2s1 ZINC000892201974 1016420176 /nfs/dbraw/zinc/42/01/76/1016420176.db2.gz OKOGITQTCUMNBI-DLBZAZTESA-N 1 1 322.437 3.668 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@H](C)[C@H]2CC)c1=S ZINC000184974999 1016486433 /nfs/dbraw/zinc/48/64/33/1016486433.db2.gz NCYFNGAEPWDADD-GXTWGEPZSA-N 1 1 306.479 3.555 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@H](C)[C@H]2CC)c1=S ZINC000184974999 1016486436 /nfs/dbraw/zinc/48/64/36/1016486436.db2.gz NCYFNGAEPWDADD-GXTWGEPZSA-N 1 1 306.479 3.555 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C1CCCCC1 ZINC000475050246 1016562727 /nfs/dbraw/zinc/56/27/27/1016562727.db2.gz UVXQFGPDRCJAOB-IBGZPJMESA-N 1 1 300.446 3.710 20 30 DHEDMO C[C@@H](c1ccccc1F)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000051591784 1016580601 /nfs/dbraw/zinc/58/06/01/1016580601.db2.gz IQFUHDSHSRUALN-INIZCTEOSA-N 1 1 323.415 3.576 20 30 DHEDMO C[C@@H](c1ccccc1F)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000051591784 1016580613 /nfs/dbraw/zinc/58/06/13/1016580613.db2.gz IQFUHDSHSRUALN-INIZCTEOSA-N 1 1 323.415 3.576 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000934469594 1016756639 /nfs/dbraw/zinc/75/66/39/1016756639.db2.gz VUMXCHFFFYQBQF-CQSZACIVSA-N 1 1 303.793 3.583 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1cnc2n1CCC2)c1ccc(F)c(F)c1 ZINC000657435907 1016783008 /nfs/dbraw/zinc/78/30/08/1016783008.db2.gz HLLPRFGBZMZMFE-KRWDZBQOSA-N 1 1 303.356 3.515 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1cnn2c1CCC2)c1ccc(F)c(F)c1 ZINC000657437782 1016796082 /nfs/dbraw/zinc/79/60/82/1016796082.db2.gz VQLLJERDWKZQIV-QGZVFWFLSA-N 1 1 303.356 3.515 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000847024435 1032181894 /nfs/dbraw/zinc/18/18/94/1032181894.db2.gz IVOSKPJEBXMPDG-QGZVFWFLSA-N 1 1 306.409 3.506 20 30 DHEDMO Cc1nc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c(C)s1 ZINC000772959423 1032197382 /nfs/dbraw/zinc/19/73/82/1032197382.db2.gz MURLKYMAXVJLJF-LLVKDONJSA-N 1 1 301.415 3.513 20 30 DHEDMO C=CCN(CC=C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086430631 1032262213 /nfs/dbraw/zinc/26/22/13/1032262213.db2.gz IVWWGHADFPITHB-OAHLLOKOSA-N 1 1 324.428 3.625 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(OCCOC)cc1 ZINC000119944530 1032331704 /nfs/dbraw/zinc/33/17/04/1032331704.db2.gz JCVWEICNHRCAEE-UHFFFAOYSA-N 1 1 317.454 3.962 20 30 DHEDMO COc1ccc(C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1OCCCC#N ZINC000091937875 1032462682 /nfs/dbraw/zinc/46/26/82/1032462682.db2.gz FSDORGAZGJCBAN-GASCZTMLSA-N 1 1 302.418 3.751 20 30 DHEDMO CS[C@H]1CCCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000092064081 1032472274 /nfs/dbraw/zinc/47/22/74/1032472274.db2.gz WYCIHTPMNDNKTF-YOEHRIQHSA-N 1 1 304.459 3.695 20 30 DHEDMO Fc1ccc(Br)cc1C[NH2+]CC#Cc1ccccc1 ZINC000051814249 1017099884 /nfs/dbraw/zinc/09/98/84/1017099884.db2.gz SJNVTHQVVQQCKY-UHFFFAOYSA-N 1 1 318.189 3.730 20 30 DHEDMO CCOc1cc(C[N@H+](CCC#N)CC(C)(C)C)ccc1OC ZINC000093101174 1032522557 /nfs/dbraw/zinc/52/25/57/1032522557.db2.gz RPRNJHVOUPJWOM-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO CCOc1cc(C[N@@H+](CCC#N)CC(C)(C)C)ccc1OC ZINC000093101174 1032522561 /nfs/dbraw/zinc/52/25/61/1032522561.db2.gz RPRNJHVOUPJWOM-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC[C@@H]1C ZINC000093480792 1032541606 /nfs/dbraw/zinc/54/16/06/1032541606.db2.gz SLPBAYXAEILNMN-IRXDYDNUSA-N 1 1 322.456 3.942 20 30 DHEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000424626582 1012071095 /nfs/dbraw/zinc/07/10/95/1012071095.db2.gz MNVYHGUWJZVQRY-OAHLLOKOSA-N 1 1 320.502 3.679 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)cc1OC ZINC000618590325 1012089346 /nfs/dbraw/zinc/08/93/46/1012089346.db2.gz SGZVMCKMDMWAJD-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425045622 1012196907 /nfs/dbraw/zinc/19/69/07/1012196907.db2.gz SRNQDWJBRVWRLU-LBPRGKRZSA-N 1 1 321.490 3.841 20 30 DHEDMO C=CCOc1ccc(C[NH+]2CC(CC(F)F)C2)cc1Cl ZINC000425365548 1012491976 /nfs/dbraw/zinc/49/19/76/1012491976.db2.gz LNRJIQQKWRWMRN-UHFFFAOYSA-N 1 1 301.764 3.992 20 30 DHEDMO CCOc1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)ccc1O ZINC000425365475 1012493301 /nfs/dbraw/zinc/49/33/01/1012493301.db2.gz KVOCKWNZMUFQLT-AWEZNQCLSA-N 1 1 310.397 3.856 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc2c1OCCO2 ZINC000425368758 1012499062 /nfs/dbraw/zinc/49/90/62/1012499062.db2.gz XTLLNERPOUVNCT-CQSZACIVSA-N 1 1 308.381 3.522 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1C#N ZINC000425368623 1012499957 /nfs/dbraw/zinc/49/99/57/1012499957.db2.gz XENXRWBAOVFJSL-CQSZACIVSA-N 1 1 305.381 3.632 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCc3c(F)cccc3C1)CC2 ZINC001171421945 1032635054 /nfs/dbraw/zinc/63/50/54/1032635054.db2.gz NGULRKKMTFVTJJ-GOSISDBHSA-N 1 1 306.384 3.613 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cccc(Cl)c1 ZINC000514967389 1012517381 /nfs/dbraw/zinc/51/73/81/1012517381.db2.gz XRXORQSCYZLCHU-UHFFFAOYSA-N 1 1 314.816 3.860 20 30 DHEDMO C=CC[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](C[C@H](CC)CCCC)C[C@H]21 ZINC001269961206 1012517950 /nfs/dbraw/zinc/51/79/50/1012517950.db2.gz WWEQWSVAOIDNCC-AKHDSKFASA-N 1 1 320.521 3.948 20 30 DHEDMO C=CC[C@H](C)C(=O)N1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001269959768 1012520759 /nfs/dbraw/zinc/52/07/59/1012520759.db2.gz IXVWPZKAARZFLG-FXAWDEMLSA-N 1 1 318.505 3.846 20 30 DHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](CC)C1CCCCC1 ZINC000515256262 1012593470 /nfs/dbraw/zinc/59/34/70/1012593470.db2.gz FWPABMCAGGNWEY-IBGZPJMESA-N 1 1 317.473 3.809 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000515495872 1012637610 /nfs/dbraw/zinc/63/76/10/1012637610.db2.gz KKVLVVAOOYFANC-LJQANCHMSA-N 1 1 310.372 3.913 20 30 DHEDMO Cc1cnn(CCCCC[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425530976 1012729721 /nfs/dbraw/zinc/72/97/21/1012729721.db2.gz GPEYNJKNQWXUOH-QGZVFWFLSA-N 1 1 310.445 3.927 20 30 DHEDMO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425533539 1012731625 /nfs/dbraw/zinc/73/16/25/1012731625.db2.gz KYZCERDQHZPUAH-LBPRGKRZSA-N 1 1 314.410 3.599 20 30 DHEDMO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425533539 1012731642 /nfs/dbraw/zinc/73/16/42/1012731642.db2.gz KYZCERDQHZPUAH-LBPRGKRZSA-N 1 1 314.410 3.599 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000425539262 1012742578 /nfs/dbraw/zinc/74/25/78/1012742578.db2.gz TWWSQOGUSYTONB-MRXNPFEDSA-N 1 1 311.429 3.652 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000516745791 1012828081 /nfs/dbraw/zinc/82/80/81/1012828081.db2.gz RWONLRJGMTUTRC-UHFFFAOYSA-N 1 1 314.473 3.713 20 30 DHEDMO C[C@H]1C[C@H](Nc2c(C#N)cnc3c(Cl)cccc32)CC[N@H+]1C ZINC000516967975 1012877386 /nfs/dbraw/zinc/87/73/86/1012877386.db2.gz XJUSKCTUYYHBRX-WCQYABFASA-N 1 1 314.820 3.654 20 30 DHEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000123876872 1032664758 /nfs/dbraw/zinc/66/47/58/1032664758.db2.gz YTQJKSOVXZXPEP-GUYCJALGSA-N 1 1 324.827 3.554 20 30 DHEDMO Cc1nc(NCCC[N@@H+]2CCCC[C@H]2C)c(Cl)cc1C#N ZINC000336848080 1012941182 /nfs/dbraw/zinc/94/11/82/1012941182.db2.gz HHEANIYHLFNLMH-GFCCVEGCSA-N 1 1 306.841 3.592 20 30 DHEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)CC[C@@H]1c1ccccc1 ZINC000517478595 1012994909 /nfs/dbraw/zinc/99/49/09/1012994909.db2.gz NHEHHJAAZXYDLE-XLIONFOSSA-N 1 1 305.425 3.969 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000517562350 1013010961 /nfs/dbraw/zinc/01/09/61/1013010961.db2.gz LZMVXIBBSVXEST-MJGOQNOKSA-N 1 1 312.457 3.879 20 30 DHEDMO C=CCCC1(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)CCCC1 ZINC001161640202 1013014907 /nfs/dbraw/zinc/01/49/07/1013014907.db2.gz ABMBDWZFQKHPOS-QGZVFWFLSA-N 1 1 306.494 3.894 20 30 DHEDMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000046518613 1017151959 /nfs/dbraw/zinc/15/19/59/1017151959.db2.gz GQFQSEBTTCOHED-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000046518613 1017151962 /nfs/dbraw/zinc/15/19/62/1017151962.db2.gz GQFQSEBTTCOHED-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)c1ccccc1F ZINC000076153509 1017381258 /nfs/dbraw/zinc/38/12/58/1017381258.db2.gz BNSOLJKRNLBIMF-RLLQIKCJSA-N 1 1 324.399 3.631 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1F ZINC000076153509 1017381264 /nfs/dbraw/zinc/38/12/64/1017381264.db2.gz BNSOLJKRNLBIMF-RLLQIKCJSA-N 1 1 324.399 3.631 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCNc1ccc(C#N)cc1C(F)(F)F ZINC000609964737 1017464887 /nfs/dbraw/zinc/46/48/87/1017464887.db2.gz ZYRQRBWQFRMCTR-LBPRGKRZSA-N 1 1 311.351 3.863 20 30 DHEDMO C=C(CC)C[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000347331197 1017472293 /nfs/dbraw/zinc/47/22/93/1017472293.db2.gz JUCMCCMEOLLTLE-LLVKDONJSA-N 1 1 303.328 3.668 20 30 DHEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000347331197 1017472296 /nfs/dbraw/zinc/47/22/96/1017472296.db2.gz JUCMCCMEOLLTLE-LLVKDONJSA-N 1 1 303.328 3.668 20 30 DHEDMO C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCCc2scnc21)C(C)C ZINC000623861387 1017538895 /nfs/dbraw/zinc/53/88/95/1017538895.db2.gz WPSUVWDFBIBCIB-JKSUJKDBSA-N 1 1 319.518 3.809 20 30 DHEDMO C=CCCC(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000523252185 1017587655 /nfs/dbraw/zinc/58/76/55/1017587655.db2.gz AFNVZRKXBAHSLG-AEFFLSMTSA-N 1 1 300.446 3.637 20 30 DHEDMO Cc1nccn1CCC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000342861634 1017612836 /nfs/dbraw/zinc/61/28/36/1017612836.db2.gz YMIRVVHBLJGVRD-UHFFFAOYSA-N 1 1 310.445 3.612 20 30 DHEDMO C=CCn1cc(C[NH2+][C@H](CCC)c2cc(C)sc2C)nn1 ZINC000624004054 1017631551 /nfs/dbraw/zinc/63/15/51/1017631551.db2.gz UEUWJKIRPURPDN-MRXNPFEDSA-N 1 1 304.463 3.773 20 30 DHEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCCCC(C)(C)C#N ZINC000444706039 1017640176 /nfs/dbraw/zinc/64/01/76/1017640176.db2.gz MBNSELXHTTYUCI-GOSISDBHSA-N 1 1 302.462 3.896 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2nc([C@H](C)OCC)no2)CCCC1(C)C ZINC000444778818 1017673649 /nfs/dbraw/zinc/67/36/49/1017673649.db2.gz ABXYWSHTTDOALF-UONOGXRCSA-N 1 1 307.438 3.734 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2nc([C@H](C)OCC)no2)CCCC1(C)C ZINC000444778818 1017673664 /nfs/dbraw/zinc/67/36/64/1017673664.db2.gz ABXYWSHTTDOALF-UONOGXRCSA-N 1 1 307.438 3.734 20 30 DHEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2c(F)cccc2F)CCCC1(C)C ZINC000444777385 1017675630 /nfs/dbraw/zinc/67/56/30/1017675630.db2.gz SALDTGRZDISTNV-HNNXBMFYSA-N 1 1 322.399 3.970 20 30 DHEDMO C=CC[C@@H]1[N@H+](CC(=O)Nc2c(F)cccc2F)CCCC1(C)C ZINC000444777385 1017675636 /nfs/dbraw/zinc/67/56/36/1017675636.db2.gz SALDTGRZDISTNV-HNNXBMFYSA-N 1 1 322.399 3.970 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2nccc(OC)c2OC)CCCC1(C)C ZINC000444794875 1017683119 /nfs/dbraw/zinc/68/31/19/1017683119.db2.gz WVGUYSSCEMBMBH-INIZCTEOSA-N 1 1 304.434 3.666 20 30 DHEDMO C[N@H+]1CCC[C@H](C/N=C/c2ccccc2O)[C@@H]1c1cccs1 ZINC000125155052 1032717835 /nfs/dbraw/zinc/71/78/35/1032717835.db2.gz JQTVIBUBYKMGEW-QEEVONDNSA-N 1 1 314.454 3.956 20 30 DHEDMO CC(C)(CC#N)C[NH2+]Cc1c(F)cc(Br)cc1F ZINC001202759972 1032724427 /nfs/dbraw/zinc/72/44/27/1032724427.db2.gz MHOPDVMZHBHVMZ-UHFFFAOYSA-N 1 1 317.177 3.757 20 30 DHEDMO C=CC[C@H]1CC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000625703565 1017781354 /nfs/dbraw/zinc/78/13/54/1017781354.db2.gz NCTZRRCARCUYQY-KRWDZBQOSA-N 1 1 312.457 3.711 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000625702790 1017784384 /nfs/dbraw/zinc/78/43/84/1017784384.db2.gz HFRCODIYMQGDGC-CYBMUJFWSA-N 1 1 322.836 3.575 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC000625705076 1017788157 /nfs/dbraw/zinc/78/81/57/1017788157.db2.gz RHTPTXBWKVPIHG-AWEZNQCLSA-N 1 1 304.459 3.635 20 30 DHEDMO N#Cc1ccccc1CNc1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC001167636175 1017825042 /nfs/dbraw/zinc/82/50/42/1017825042.db2.gz WWYOPDJCVSRMHF-UHFFFAOYSA-N 1 1 302.381 3.925 20 30 DHEDMO C=CCCC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccccc1OC ZINC000091506789 1017854159 /nfs/dbraw/zinc/85/41/59/1017854159.db2.gz ITDQUEVRIBLCFU-OAHLLOKOSA-N 1 1 304.434 3.700 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000091518340 1017897463 /nfs/dbraw/zinc/89/74/63/1017897463.db2.gz GSPGYCIQKWXITK-INIZCTEOSA-N 1 1 318.436 3.718 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000339009335 1032730743 /nfs/dbraw/zinc/73/07/43/1032730743.db2.gz HOQOXSHCYHBEGJ-HKBOAZHASA-N 1 1 323.484 3.667 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000339009335 1032730782 /nfs/dbraw/zinc/73/07/82/1032730782.db2.gz HOQOXSHCYHBEGJ-HKBOAZHASA-N 1 1 323.484 3.667 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000524307529 1017954637 /nfs/dbraw/zinc/95/46/37/1017954637.db2.gz IJTWWCLOHYTQCS-LJQANCHMSA-N 1 1 314.473 3.681 20 30 DHEDMO Cc1cc(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc(C#N)n1 ZINC000343022794 1017998589 /nfs/dbraw/zinc/99/85/89/1017998589.db2.gz GTEXDBTYQVCRMX-HXUWFJFHSA-N 1 1 320.440 3.584 20 30 DHEDMO CCC(CC)C[N@H+](CC)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000764190944 1018193469 /nfs/dbraw/zinc/19/34/69/1018193469.db2.gz BTFDYJQNUNAJRK-KRWDZBQOSA-N 1 1 302.418 3.530 20 30 DHEDMO CCC(CC)C[N@@H+](CC)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000764190944 1018193475 /nfs/dbraw/zinc/19/34/75/1018193475.db2.gz BTFDYJQNUNAJRK-KRWDZBQOSA-N 1 1 302.418 3.530 20 30 DHEDMO C#CCC[N@H+]1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 ZINC000764229392 1018206941 /nfs/dbraw/zinc/20/69/41/1018206941.db2.gz AMXSFQCWVDKCKI-OAHLLOKOSA-N 1 1 311.425 3.670 20 30 DHEDMO O=C1C=C2C[N@@H+](Cc3csc4ccccc34)CCC2S1 ZINC001140635045 1018208146 /nfs/dbraw/zinc/20/81/46/1018208146.db2.gz BSDAQIOXNKENCJ-CQSZACIVSA-N 1 1 301.436 3.675 20 30 DHEDMO O=C1C=C2C[N@H+](Cc3csc4ccccc34)CCC2S1 ZINC001140635045 1018208155 /nfs/dbraw/zinc/20/81/55/1018208155.db2.gz BSDAQIOXNKENCJ-CQSZACIVSA-N 1 1 301.436 3.675 20 30 DHEDMO O=C1C=C2C[N@@H+](Cc3csc4ccccc34)CCC2S1 ZINC001140635044 1018209215 /nfs/dbraw/zinc/20/92/15/1018209215.db2.gz BSDAQIOXNKENCJ-AWEZNQCLSA-N 1 1 301.436 3.675 20 30 DHEDMO O=C1C=C2C[N@H+](Cc3csc4ccccc34)CCC2S1 ZINC001140635044 1018209225 /nfs/dbraw/zinc/20/92/25/1018209225.db2.gz BSDAQIOXNKENCJ-AWEZNQCLSA-N 1 1 301.436 3.675 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2ccc(-n3cncn3)cc2)CCCC1(C)C ZINC000446834976 1018263545 /nfs/dbraw/zinc/26/35/45/1018263545.db2.gz ZMVCQPVATCNKLB-SFHVURJKSA-N 1 1 310.445 3.834 20 30 DHEDMO CC(C)[N@@H+](Cc1cccc(Br)c1)CC1(C#N)CC1 ZINC000343149560 1018272338 /nfs/dbraw/zinc/27/23/38/1018272338.db2.gz OSCNJKASKRDDLM-UHFFFAOYSA-N 1 1 307.235 3.963 20 30 DHEDMO CS[C@@H]1CCCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000441133896 1018274340 /nfs/dbraw/zinc/27/43/40/1018274340.db2.gz OITWPDKWVAMRNI-QGZVFWFLSA-N 1 1 304.459 3.545 20 30 DHEDMO C=CCOc1cccc(NC(=O)c2sccc2C[NH+](C)C)c1 ZINC000446965136 1018303975 /nfs/dbraw/zinc/30/39/75/1018303975.db2.gz GBJSWSGHHLTXHK-UHFFFAOYSA-N 1 1 316.426 3.627 20 30 DHEDMO COCC[N@H+](Cc1cccc(F)c1C#N)[C@@H](C)c1ccccc1 ZINC000428468385 1018328086 /nfs/dbraw/zinc/32/80/86/1018328086.db2.gz OEYHGXKEQZUWOI-HNNXBMFYSA-N 1 1 312.388 3.907 20 30 DHEDMO COCC[N@@H+](Cc1cccc(F)c1C#N)[C@@H](C)c1ccccc1 ZINC000428468385 1018328095 /nfs/dbraw/zinc/32/80/95/1018328095.db2.gz OEYHGXKEQZUWOI-HNNXBMFYSA-N 1 1 312.388 3.907 20 30 DHEDMO C[C@@H](C1CCCCC1)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000447399737 1018389659 /nfs/dbraw/zinc/38/96/59/1018389659.db2.gz YLZPSXQYRKDDTF-INIZCTEOSA-N 1 1 319.493 3.572 20 30 DHEDMO CC#CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC)c1 ZINC000764974318 1018437987 /nfs/dbraw/zinc/43/79/87/1018437987.db2.gz YXASLFMRKTXFEE-OAQYLSRUSA-N 1 1 323.436 3.644 20 30 DHEDMO C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC12CCCCC2 ZINC000765085488 1018468369 /nfs/dbraw/zinc/46/83/69/1018468369.db2.gz BCDBRTASEXPCGM-QFBILLFUSA-N 1 1 312.457 3.884 20 30 DHEDMO Cc1ccc(N2CCC[N@H+](Cc3ccc(F)cc3C#N)CC2)cc1 ZINC000728569360 1018499392 /nfs/dbraw/zinc/49/93/92/1018499392.db2.gz BXEWJABKMCKRKK-UHFFFAOYSA-N 1 1 323.415 3.718 20 30 DHEDMO Cc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3C#N)CC2)cc1 ZINC000728569360 1018499402 /nfs/dbraw/zinc/49/94/02/1018499402.db2.gz BXEWJABKMCKRKK-UHFFFAOYSA-N 1 1 323.415 3.718 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000675502489 1018513638 /nfs/dbraw/zinc/51/36/38/1018513638.db2.gz RPYDDUVTKHGZGR-BBRMVZONSA-N 1 1 324.262 3.913 20 30 DHEDMO CCC(CC)[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)CC(C)C ZINC000448117537 1018538449 /nfs/dbraw/zinc/53/84/49/1018538449.db2.gz YWLNPRZDKRZAQT-UHFFFAOYSA-N 1 1 319.449 3.853 20 30 DHEDMO COC(=O)c1cccc(C[N@H+]2CCCC3(CCCC3)C2)c1C#N ZINC000527327729 1018551813 /nfs/dbraw/zinc/55/18/13/1018551813.db2.gz HPTLAFWIJRABAO-UHFFFAOYSA-N 1 1 312.413 3.501 20 30 DHEDMO C=C[C@H](CC(=O)N(CC)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000583583478 1018577089 /nfs/dbraw/zinc/57/70/89/1018577089.db2.gz LQRNXSDOCOJTJN-MJGOQNOKSA-N 1 1 314.473 3.679 20 30 DHEDMO C[C@@H](C1CC1)n1cc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000329388040 1018652578 /nfs/dbraw/zinc/65/25/78/1018652578.db2.gz REOKTCPFJPRQKH-BBRMVZONSA-N 1 1 304.438 3.707 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000157962074 1018717877 /nfs/dbraw/zinc/71/78/77/1018717877.db2.gz CZELLNDUYYYJKO-OAHLLOKOSA-N 1 1 300.402 3.513 20 30 DHEDMO Cc1csc(C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)n1 ZINC000157968004 1018720985 /nfs/dbraw/zinc/72/09/85/1018720985.db2.gz MEEMPMCCLCHCHQ-UHFFFAOYSA-N 1 1 314.429 3.822 20 30 DHEDMO CCCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000024165840 1018721326 /nfs/dbraw/zinc/72/13/26/1018721326.db2.gz ODIOFYKVRISXOP-UHFFFAOYSA-N 1 1 319.474 3.559 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](OCC)C2)cc1Cl ZINC000676413772 1018725172 /nfs/dbraw/zinc/72/51/72/1018725172.db2.gz GMCUXBHFVTUJBI-OAHLLOKOSA-N 1 1 309.837 3.906 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000131666458 1018753007 /nfs/dbraw/zinc/75/30/07/1018753007.db2.gz ONFDZUTXPCGEKT-OAHLLOKOSA-N 1 1 302.393 3.660 20 30 DHEDMO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000060355819 1018758417 /nfs/dbraw/zinc/75/84/17/1018758417.db2.gz SJNWQLBPUOOTIC-KRWDZBQOSA-N 1 1 309.388 3.774 20 30 DHEDMO C[N@@H+](CCCNc1ncc(C#N)cc1Cl)C1CCCCC1 ZINC000060372254 1018759664 /nfs/dbraw/zinc/75/96/64/1018759664.db2.gz PZHVBCDZWYYKTP-UHFFFAOYSA-N 1 1 306.841 3.673 20 30 DHEDMO COc1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@@H](C#N)CC3)CCO2)cc1 ZINC001168663239 1018776975 /nfs/dbraw/zinc/77/69/75/1018776975.db2.gz SSQAXQQAXOSKEB-SUMDDJOVSA-N 1 1 314.429 3.541 20 30 DHEDMO COc1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@H](CC#N)C3)CCO2)cc1 ZINC001168664046 1018779417 /nfs/dbraw/zinc/77/94/17/1018779417.db2.gz YVTSFNWGCGYNEI-AYBZRNKSSA-N 1 1 314.429 3.541 20 30 DHEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1c(F)cc(F)cc1F)CC2 ZINC000340499735 1018798277 /nfs/dbraw/zinc/79/82/77/1018798277.db2.gz QYHKSRPSGDDEFM-QGZVFWFLSA-N 1 1 302.299 3.753 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1F ZINC000368269789 1018990474 /nfs/dbraw/zinc/99/04/74/1018990474.db2.gz NRZWPPYRPFZHIH-QXAKKESOSA-N 1 1 316.420 3.603 20 30 DHEDMO C[N@@H+](CCn1cccn1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000111279183 1019015704 /nfs/dbraw/zinc/01/57/04/1019015704.db2.gz VQPBFWUJYFUDKZ-UHFFFAOYSA-N 1 1 316.408 3.554 20 30 DHEDMO N#Cc1c(C[N@H+]2CC[C@H](CC(F)(F)F)C2)cn2ccccc12 ZINC000278678015 1019027431 /nfs/dbraw/zinc/02/74/31/1019027431.db2.gz IRCKEVZVRUATOR-GFCCVEGCSA-N 1 1 307.319 3.585 20 30 DHEDMO N#Cc1c(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cn2ccccc12 ZINC000278678015 1019027444 /nfs/dbraw/zinc/02/74/44/1019027444.db2.gz IRCKEVZVRUATOR-GFCCVEGCSA-N 1 1 307.319 3.585 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000584247717 1019049152 /nfs/dbraw/zinc/04/91/52/1019049152.db2.gz GJIUQFTYKBBBSZ-QGZVFWFLSA-N 1 1 310.372 3.566 20 30 DHEDMO Cc1oc(NC(=O)C[N@H+]2CCCC[C@@H]2CC(C)C)c(C#N)c1C ZINC000130718307 1019053202 /nfs/dbraw/zinc/05/32/02/1019053202.db2.gz QHZHQNDKBWDOQP-OAHLLOKOSA-N 1 1 317.433 3.607 20 30 DHEDMO Cc1oc(NC(=O)C[N@@H+]2CCCC[C@@H]2CC(C)C)c(C#N)c1C ZINC000130718307 1019053214 /nfs/dbraw/zinc/05/32/14/1019053214.db2.gz QHZHQNDKBWDOQP-OAHLLOKOSA-N 1 1 317.433 3.607 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c(F)c1 ZINC000075863982 1019063343 /nfs/dbraw/zinc/06/33/43/1019063343.db2.gz DHUIAOYETDLWOF-SFHVURJKSA-N 1 1 324.399 3.736 20 30 DHEDMO N#Cc1cc(C[NH2+][C@H]2CCOc3c(Cl)cccc32)cs1 ZINC000921592121 1019096404 /nfs/dbraw/zinc/09/64/04/1019096404.db2.gz AEIGXWHQDJTJGD-AWEZNQCLSA-N 1 1 304.802 3.887 20 30 DHEDMO CCc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000347923434 1019266639 /nfs/dbraw/zinc/26/66/39/1019266639.db2.gz UESLSWAVZVCNPX-UXHICEINSA-N 1 1 305.425 3.916 20 30 DHEDMO CCc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cn1 ZINC000347923434 1019266645 /nfs/dbraw/zinc/26/66/45/1019266645.db2.gz UESLSWAVZVCNPX-UXHICEINSA-N 1 1 305.425 3.916 20 30 DHEDMO CC[C@H](C(=O)[C@H](C#N)c1nc(C(C)C)cs1)[NH+](CC)CC ZINC000765964818 1019273636 /nfs/dbraw/zinc/27/36/36/1019273636.db2.gz OVNYWXJGYGRXHK-GXTWGEPZSA-N 1 1 307.463 3.563 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C(C)C)C1CCCC1 ZINC000077277744 1019276414 /nfs/dbraw/zinc/27/64/14/1019276414.db2.gz BMRIMLIFNJPNOA-UHFFFAOYSA-N 1 1 302.418 3.599 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CCc2ccc(F)cc21 ZINC001171670435 1032822343 /nfs/dbraw/zinc/82/23/43/1032822343.db2.gz GEJXOGCAXBGYOP-GFCCVEGCSA-N 1 1 300.402 3.921 20 30 DHEDMO CC1(C)C[C@@H](NCc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000611182800 1019408349 /nfs/dbraw/zinc/40/83/49/1019408349.db2.gz PVOOSTBLWZWIDS-HXUWFJFHSA-N 1 1 319.452 3.701 20 30 DHEDMO CC1(C)C[C@@H](NCc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000611182800 1019408355 /nfs/dbraw/zinc/40/83/55/1019408355.db2.gz PVOOSTBLWZWIDS-HXUWFJFHSA-N 1 1 319.452 3.701 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(N(C)C)nc1 ZINC000611257837 1019425030 /nfs/dbraw/zinc/42/50/30/1019425030.db2.gz DKGIISGLJVQNJK-UHFFFAOYSA-N 1 1 322.456 3.677 20 30 DHEDMO CC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)[C@@H](C)C(C)C ZINC000611346180 1019452953 /nfs/dbraw/zinc/45/29/53/1019452953.db2.gz FTTLRYREHBMQNP-INIZCTEOSA-N 1 1 310.445 3.919 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]2C(C)C)c1C#N ZINC000611346294 1019453632 /nfs/dbraw/zinc/45/36/32/1019453632.db2.gz LOIVBMNSVZBZGI-GOSISDBHSA-N 1 1 308.429 3.673 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2C2CCC2)c1C#N ZINC000611346816 1019453858 /nfs/dbraw/zinc/45/38/58/1019453858.db2.gz LAIJSWUDTDLADW-LJQANCHMSA-N 1 1 320.440 3.817 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCN(C2CCC2)CC1 ZINC000611392188 1019466053 /nfs/dbraw/zinc/46/60/53/1019466053.db2.gz JGQUOKZQGQTXTN-HXUWFJFHSA-N 1 1 309.457 3.542 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@H]2NC1CC[NH+](C2CCC2)CC1 ZINC000611392188 1019466063 /nfs/dbraw/zinc/46/60/63/1019466063.db2.gz JGQUOKZQGQTXTN-HXUWFJFHSA-N 1 1 309.457 3.542 20 30 DHEDMO CC(C)c1nnc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)[nH]1 ZINC000611395149 1019471937 /nfs/dbraw/zinc/47/19/37/1019471937.db2.gz NJNOPDBKFJCTLO-WBMJQRKESA-N 1 1 309.417 3.528 20 30 DHEDMO CC1(C)CC(N[C@@H]2CCCc3cc(C#N)ccc32)CC(C)(C)[NH2+]1 ZINC000611390325 1019473607 /nfs/dbraw/zinc/47/36/07/1019473607.db2.gz SGRDHRGUCYOTFE-GOSISDBHSA-N 1 1 311.473 3.834 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000114468570 1019512598 /nfs/dbraw/zinc/51/25/98/1019512598.db2.gz NTNSXMUSSKQURB-FQEVSTJZSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000114468570 1019512609 /nfs/dbraw/zinc/51/26/09/1019512609.db2.gz NTNSXMUSSKQURB-FQEVSTJZSA-N 1 1 324.399 3.569 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)cc1C#N ZINC000611554537 1019520923 /nfs/dbraw/zinc/52/09/23/1019520923.db2.gz UIJGPUDOSKQRTQ-BXUZGUMPSA-N 1 1 312.335 3.730 20 30 DHEDMO CC1(C)CN(Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000078516670 1019522901 /nfs/dbraw/zinc/52/29/01/1019522901.db2.gz GYBIFHOGAOKVQC-UHFFFAOYSA-N 1 1 319.452 3.655 20 30 DHEDMO CCCC[N@H+]1CCCC[C@H]1CNc1nc(C)cc(C)c1C#N ZINC000480512453 1019728635 /nfs/dbraw/zinc/72/86/35/1019728635.db2.gz NWASWRBTRUFVNT-INIZCTEOSA-N 1 1 300.450 3.637 20 30 DHEDMO N#Cc1cc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)cs1 ZINC000922164431 1019741693 /nfs/dbraw/zinc/74/16/93/1019741693.db2.gz ZBVOQFFWMAYEIY-LBPRGKRZSA-N 1 1 308.328 3.814 20 30 DHEDMO C=C(C)COc1cccc(NC(=O)CCCn2cc[nH+]c2C)c1 ZINC000067178313 1019748265 /nfs/dbraw/zinc/74/82/65/1019748265.db2.gz IESORALHRVSTBB-UHFFFAOYSA-N 1 1 313.401 3.565 20 30 DHEDMO Cc1ccc2c(C[N@@H+](CCC#N)CC(C)C)cc(=O)oc2c1C ZINC000755669829 1019966456 /nfs/dbraw/zinc/96/64/56/1019966456.db2.gz LOXFSWYBWDXAOU-UHFFFAOYSA-N 1 1 312.413 3.782 20 30 DHEDMO Cc1ccc2c(C[N@H+](CCC#N)CC(C)C)cc(=O)oc2c1C ZINC000755669829 1019966465 /nfs/dbraw/zinc/96/64/65/1019966465.db2.gz LOXFSWYBWDXAOU-UHFFFAOYSA-N 1 1 312.413 3.782 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cccc(NC(C)=O)c1 ZINC000101546979 1020051683 /nfs/dbraw/zinc/05/16/83/1020051683.db2.gz GRXYXEYKSREZJT-UHFFFAOYSA-N 1 1 308.425 3.876 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000154219760 1020053282 /nfs/dbraw/zinc/05/32/82/1020053282.db2.gz AWIQZQKLBQTTSW-GOSISDBHSA-N 1 1 309.413 3.633 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000154219760 1020053295 /nfs/dbraw/zinc/05/32/95/1020053295.db2.gz AWIQZQKLBQTTSW-GOSISDBHSA-N 1 1 309.413 3.633 20 30 DHEDMO CCCCCCCCCN(C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000731123946 1020064896 /nfs/dbraw/zinc/06/48/96/1020064896.db2.gz RHUSDZLJRDTCTQ-KRWDZBQOSA-N 1 1 311.514 3.720 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000731211544 1020080389 /nfs/dbraw/zinc/08/03/89/1020080389.db2.gz NIJKMMVGFQFXFM-LJQANCHMSA-N 1 1 324.399 3.935 20 30 DHEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCCN(c2ccccc2)C1 ZINC000093511397 1020156449 /nfs/dbraw/zinc/15/64/49/1020156449.db2.gz HMKLSIYIHCXWGD-KRWDZBQOSA-N 1 1 311.454 3.721 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)c1 ZINC000093668109 1020163623 /nfs/dbraw/zinc/16/36/23/1020163623.db2.gz WGCRBZILCYLEDM-INIZCTEOSA-N 1 1 310.422 3.857 20 30 DHEDMO C[C@H]1CCC[N@H+]1C1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000154959767 1020170217 /nfs/dbraw/zinc/17/02/17/1020170217.db2.gz UPPKRMZCFJCOKO-HNNXBMFYSA-N 1 1 320.440 3.560 20 30 DHEDMO N#Cc1cc(Cc2ccccc2)sc1Nc1ccc[nH+]c1N ZINC001212389117 1020240648 /nfs/dbraw/zinc/24/06/48/1020240648.db2.gz OHZKVYUZDOZLJS-UHFFFAOYSA-N 1 1 306.394 3.931 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H]2CC(C)C)c(C#N)c1C ZINC000331149005 1020254800 /nfs/dbraw/zinc/25/48/00/1020254800.db2.gz ADODWTWDVSPRLA-CQSZACIVSA-N 1 1 319.474 3.686 20 30 DHEDMO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1cncc(C#N)c1 ZINC000929316589 1020279045 /nfs/dbraw/zinc/27/90/45/1020279045.db2.gz XKRWABBKIJLJBP-UHFFFAOYSA-N 1 1 315.804 3.508 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CCCC4(CCCCC4)C3)n2c1 ZINC000125705145 1020342476 /nfs/dbraw/zinc/34/24/76/1020342476.db2.gz BGFSPLULVFSSFU-UHFFFAOYSA-N 1 1 308.429 3.752 20 30 DHEDMO CC[N@@H+](Cc1ccccc1C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463041 1020349877 /nfs/dbraw/zinc/34/98/77/1020349877.db2.gz SYQAZQIZHCISLG-HNNXBMFYSA-N 1 1 322.408 3.928 20 30 DHEDMO C[C@@]1(C#N)CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000612161935 1020352161 /nfs/dbraw/zinc/35/21/61/1020352161.db2.gz CROPRVQUGXMPIL-FQEVSTJZSA-N 1 1 321.424 3.794 20 30 DHEDMO C[C@@]1(C#N)CCC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000612161935 1020352172 /nfs/dbraw/zinc/35/21/72/1020352172.db2.gz CROPRVQUGXMPIL-FQEVSTJZSA-N 1 1 321.424 3.794 20 30 DHEDMO CCCC[N@@H+](CC(=O)Nc1sccc1C#N)C1CCCCC1 ZINC000555774217 1020377001 /nfs/dbraw/zinc/37/70/01/1020377001.db2.gz ZGNGVODCFAYIJW-UHFFFAOYSA-N 1 1 319.474 3.993 20 30 DHEDMO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000283010980 1020378897 /nfs/dbraw/zinc/37/88/97/1020378897.db2.gz OTKUTMHSHYMHMH-LJQANCHMSA-N 1 1 323.440 3.542 20 30 DHEDMO C=CCOc1cccc(C[N@@H+](C)Cc2cc(Cl)cn2C)c1 ZINC000537710359 1032900671 /nfs/dbraw/zinc/90/06/71/1032900671.db2.gz NOJLPDCJUQAXOA-UHFFFAOYSA-N 1 1 304.821 3.875 20 30 DHEDMO C=CCOc1cccc(C[N@H+](C)Cc2cc(Cl)cn2C)c1 ZINC000537710359 1032900682 /nfs/dbraw/zinc/90/06/82/1032900682.db2.gz NOJLPDCJUQAXOA-UHFFFAOYSA-N 1 1 304.821 3.875 20 30 DHEDMO C[N@H+](Cc1c(C2CC2)nc2sccn12)Cc1cccc(C#N)c1 ZINC000179681936 1020429382 /nfs/dbraw/zinc/42/93/82/1020429382.db2.gz NNAGYUJNDPIEMR-UHFFFAOYSA-N 1 1 322.437 3.777 20 30 DHEDMO C[N@@H+](Cc1c(C2CC2)nc2sccn12)Cc1cccc(C#N)c1 ZINC000179681936 1020429390 /nfs/dbraw/zinc/42/93/90/1020429390.db2.gz NNAGYUJNDPIEMR-UHFFFAOYSA-N 1 1 322.437 3.777 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000347950965 1020464301 /nfs/dbraw/zinc/46/43/01/1020464301.db2.gz PZASIRSGLCQOCP-UHFFFAOYSA-N 1 1 319.364 3.756 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cccc3nsnc32)C2CC2)cc1 ZINC000766029012 1020492062 /nfs/dbraw/zinc/49/20/62/1020492062.db2.gz YBHARZWROFDCEN-UHFFFAOYSA-N 1 1 320.421 3.728 20 30 DHEDMO C[N@@H+](CCCNc1cc(C#N)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000302188231 1020531661 /nfs/dbraw/zinc/53/16/61/1020531661.db2.gz XECPGSDRWJJRIV-UHFFFAOYSA-N 1 1 316.405 3.533 20 30 DHEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(C#N)cn1 ZINC000302216192 1020532227 /nfs/dbraw/zinc/53/22/27/1020532227.db2.gz IIQIXBFTSSEWMU-GOSISDBHSA-N 1 1 308.429 3.522 20 30 DHEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCOc1ccccc1C#N ZINC000108720998 1020562099 /nfs/dbraw/zinc/56/20/99/1020562099.db2.gz ACMIAUHKZDSMQH-ZDUSSCGKSA-N 1 1 316.351 3.908 20 30 DHEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCOc1ccccc1C#N ZINC000108721001 1020562665 /nfs/dbraw/zinc/56/26/65/1020562665.db2.gz ACMIAUHKZDSMQH-CYBMUJFWSA-N 1 1 316.351 3.908 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+](Cc1ccccc1F)C1CC1 ZINC000108721498 1020563012 /nfs/dbraw/zinc/56/30/12/1020563012.db2.gz RBQQCXZDAHJIDL-UHFFFAOYSA-N 1 1 310.372 3.741 20 30 DHEDMO CC[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@H](C)C#N ZINC000065951306 1020593000 /nfs/dbraw/zinc/59/30/00/1020593000.db2.gz OREPRJDKMSUIPC-INIZCTEOSA-N 1 1 309.413 3.642 20 30 DHEDMO CC[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@@H](C)C#N ZINC000065951306 1020593002 /nfs/dbraw/zinc/59/30/02/1020593002.db2.gz OREPRJDKMSUIPC-INIZCTEOSA-N 1 1 309.413 3.642 20 30 DHEDMO C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1nc(-c2ccccc2)cs1 ZINC000612515003 1020598475 /nfs/dbraw/zinc/59/84/75/1020598475.db2.gz INZGRAKWKCKJCW-ZDUSSCGKSA-N 1 1 320.421 3.928 20 30 DHEDMO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(C#N)c1 ZINC001171910955 1032917855 /nfs/dbraw/zinc/91/78/55/1032917855.db2.gz CPUCGVSAQXUSJL-UHFFFAOYSA-N 1 1 313.332 3.630 20 30 DHEDMO CC(C)[N@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(C#N)cc1 ZINC000058397198 1020611359 /nfs/dbraw/zinc/61/13/59/1020611359.db2.gz XVABUTOXUUAQAZ-UHFFFAOYSA-N 1 1 322.368 3.612 20 30 DHEDMO CC(C)[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(C#N)cc1 ZINC000058397198 1020611364 /nfs/dbraw/zinc/61/13/64/1020611364.db2.gz XVABUTOXUUAQAZ-UHFFFAOYSA-N 1 1 322.368 3.612 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171897923 1032913228 /nfs/dbraw/zinc/91/32/28/1032913228.db2.gz ARFKDVBGFGZMJA-GOSISDBHSA-N 1 1 300.446 3.579 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001171915804 1032919511 /nfs/dbraw/zinc/91/95/11/1032919511.db2.gz HJHNBLUHJPNDQV-QGZVFWFLSA-N 1 1 322.493 3.922 20 30 DHEDMO N#CCCCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000131162295 1032923580 /nfs/dbraw/zinc/92/35/80/1032923580.db2.gz LFBWDFBXZDALDF-QGZVFWFLSA-N 1 1 314.454 3.978 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2ncnn2-c2ccccc2)CCCC1(C)C ZINC000337221216 1032923666 /nfs/dbraw/zinc/92/36/66/1032923666.db2.gz CIHMTIPELDGSOJ-KRWDZBQOSA-N 1 1 310.445 3.834 20 30 DHEDMO CC[N@H+](Cc1ccoc1)Cc1cc(Cl)ccc1OCC#N ZINC000735309851 1020720940 /nfs/dbraw/zinc/72/09/40/1020720940.db2.gz MCKNSVCGRNYVFE-UHFFFAOYSA-N 1 1 304.777 3.857 20 30 DHEDMO CC[N@@H+](Cc1ccoc1)Cc1cc(Cl)ccc1OCC#N ZINC000735309851 1020720947 /nfs/dbraw/zinc/72/09/47/1020720947.db2.gz MCKNSVCGRNYVFE-UHFFFAOYSA-N 1 1 304.777 3.857 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000735920104 1020780409 /nfs/dbraw/zinc/78/04/09/1020780409.db2.gz NQHDJOLYFYOQIK-LJQANCHMSA-N 1 1 322.408 3.700 20 30 DHEDMO Cc1cc(C)cc(C[N@@H+](C)CCCC2(C#N)CCOCC2)c1 ZINC000337246490 1032928318 /nfs/dbraw/zinc/92/83/18/1032928318.db2.gz OOOOWSFKMQCAST-UHFFFAOYSA-N 1 1 300.446 3.836 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000580009220 1020797725 /nfs/dbraw/zinc/79/77/25/1020797725.db2.gz AEFJWHYUJROTGT-UZLBHIALSA-N 1 1 317.436 3.756 20 30 DHEDMO CCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001267544387 1020836035 /nfs/dbraw/zinc/83/60/35/1020836035.db2.gz XRQIFDHYDHNNBL-IEBWSBKVSA-N 1 1 316.489 3.984 20 30 DHEDMO C=CCSc1nc2ccccc2n1C[N@@H+]1CCSC[C@H]1C ZINC000738279296 1020867605 /nfs/dbraw/zinc/86/76/05/1020867605.db2.gz XLLDECHLGSCRBA-CYBMUJFWSA-N 1 1 319.499 3.709 20 30 DHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000739914776 1020924479 /nfs/dbraw/zinc/92/44/79/1020924479.db2.gz KKIURVCUJHRVGQ-FUHWJXTLSA-N 1 1 314.429 3.530 20 30 DHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000739914776 1020924485 /nfs/dbraw/zinc/92/44/85/1020924485.db2.gz KKIURVCUJHRVGQ-FUHWJXTLSA-N 1 1 314.429 3.530 20 30 DHEDMO CC(C)[N@H+]1CCC[C@H](CNc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613417314 1020947198 /nfs/dbraw/zinc/94/71/98/1020947198.db2.gz OAEUEVQGTFZHRH-OAHLLOKOSA-N 1 1 314.477 3.783 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000613464941 1020977781 /nfs/dbraw/zinc/97/77/81/1020977781.db2.gz QIPKUSIXECGZOW-UHFFFAOYSA-N 1 1 320.864 3.729 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000613464941 1020977787 /nfs/dbraw/zinc/97/77/87/1020977787.db2.gz QIPKUSIXECGZOW-UHFFFAOYSA-N 1 1 320.864 3.729 20 30 DHEDMO CC1(C)C[C@H](N2CCC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001171988805 1032947685 /nfs/dbraw/zinc/94/76/85/1032947685.db2.gz VXNGOIYAQJGRHU-RBUKOAKNSA-N 1 1 311.473 3.665 20 30 DHEDMO CC(C)c1ccc(NC(=S)NN=C2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000741458332 1021008362 /nfs/dbraw/zinc/00/83/62/1021008362.db2.gz TVLOGLREEWUIDP-ZDUSSCGKSA-N 1 1 318.490 3.567 20 30 DHEDMO C[C@@H]1CC(N=Nc2ncc(C(F)(F)F)cc2Cl)CC[N@H+]1C ZINC000741451778 1021011770 /nfs/dbraw/zinc/01/17/70/1021011770.db2.gz OJMKVNAEMJRSHF-MRVPVSSYSA-N 1 1 320.746 3.636 20 30 DHEDMO N#Cc1cccc(C[NH+]2CCC(C(F)(F)F)CC2)c1Cl ZINC001140808747 1021035013 /nfs/dbraw/zinc/03/50/13/1021035013.db2.gz ZBYOTROVINVTID-UHFFFAOYSA-N 1 1 302.727 3.986 20 30 DHEDMO CC[C@H](C)C[N@@H+](CC)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180244917 1021050131 /nfs/dbraw/zinc/05/01/31/1021050131.db2.gz QTJWRGBHGGBRHT-HNNXBMFYSA-N 1 1 310.445 3.827 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCC2(CCCC2)C1 ZINC000445872019 1021059560 /nfs/dbraw/zinc/05/95/60/1021059560.db2.gz QDNQNLMAPKBBGP-UHFFFAOYSA-N 1 1 314.429 3.602 20 30 DHEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000742154409 1021096861 /nfs/dbraw/zinc/09/68/61/1021096861.db2.gz JESOPSOAORMBPK-HZPDHXFCSA-N 1 1 308.429 3.890 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1nc(-c2ccoc2)no1 ZINC000105608595 1021167291 /nfs/dbraw/zinc/16/72/91/1021167291.db2.gz XRIQZRUOZRRARI-UHFFFAOYSA-N 1 1 309.369 3.560 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nc(-c2ccoc2)no1 ZINC000105608595 1021167297 /nfs/dbraw/zinc/16/72/97/1021167297.db2.gz XRIQZRUOZRRARI-UHFFFAOYSA-N 1 1 309.369 3.560 20 30 DHEDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174837360 1021200934 /nfs/dbraw/zinc/20/09/34/1021200934.db2.gz KMEWGUMTMGZBGS-KRWDZBQOSA-N 1 1 321.509 3.725 20 30 DHEDMO CC[C@@]1(C)CCC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743388115 1021278923 /nfs/dbraw/zinc/27/89/23/1021278923.db2.gz NLERBTAXVGNWPI-IBGZPJMESA-N 1 1 308.429 3.891 20 30 DHEDMO N#CCSCCC[N@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000128776332 1021347072 /nfs/dbraw/zinc/34/70/72/1021347072.db2.gz PIXCGZPQKGPIRP-UHFFFAOYSA-N 1 1 315.269 3.998 20 30 DHEDMO N#CCSCCC[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000128776332 1021347088 /nfs/dbraw/zinc/34/70/88/1021347088.db2.gz PIXCGZPQKGPIRP-UHFFFAOYSA-N 1 1 315.269 3.998 20 30 DHEDMO CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000618284512 1021344808 /nfs/dbraw/zinc/34/48/08/1021344808.db2.gz NQDWZGPGPAGKBD-LJQANCHMSA-N 1 1 313.489 3.913 20 30 DHEDMO C[N@H+](Cc1ccccc1)[C@@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000618284512 1021344823 /nfs/dbraw/zinc/34/48/23/1021344823.db2.gz NQDWZGPGPAGKBD-LJQANCHMSA-N 1 1 313.489 3.913 20 30 DHEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000618284512 1021344834 /nfs/dbraw/zinc/34/48/34/1021344834.db2.gz NQDWZGPGPAGKBD-LJQANCHMSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@]1(C#N)CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987130 1032972633 /nfs/dbraw/zinc/97/26/33/1032972633.db2.gz PEOSXAWZVURLIT-UYAOXDASSA-N 1 1 311.473 3.665 20 30 DHEDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000618308060 1021351230 /nfs/dbraw/zinc/35/12/30/1021351230.db2.gz GWMAJMLLJCFVTO-AWEZNQCLSA-N 1 1 306.372 3.750 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)c1cccc(Cl)c1 ZINC000743842060 1021370331 /nfs/dbraw/zinc/37/03/31/1021370331.db2.gz AVXHEDMMRJNBIJ-GOSISDBHSA-N 1 1 317.791 3.648 20 30 DHEDMO C#CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C)C1CCCCC1 ZINC000743843357 1021380968 /nfs/dbraw/zinc/38/09/68/1021380968.db2.gz XKYLPJLTPPGRJF-UHFFFAOYSA-N 1 1 318.486 3.880 20 30 DHEDMO C#CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C)C1CCCCC1 ZINC000743843357 1021380952 /nfs/dbraw/zinc/38/09/52/1021380952.db2.gz XKYLPJLTPPGRJF-UHFFFAOYSA-N 1 1 318.486 3.880 20 30 DHEDMO CC(C)(C#N)C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000122248656 1021468257 /nfs/dbraw/zinc/46/82/57/1021468257.db2.gz MDXLQCZZMPUWGY-CYBMUJFWSA-N 1 1 323.234 3.802 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000538096807 1032985132 /nfs/dbraw/zinc/98/51/32/1032985132.db2.gz UCYOHFSWNUTULY-IAGOWNOFSA-N 1 1 315.461 3.785 20 30 DHEDMO C#CCCOc1ccc(C[NH2+]Cc2nc3cc(C)ccc3[nH]2)cc1 ZINC000744447218 1021549837 /nfs/dbraw/zinc/54/98/37/1021549837.db2.gz NSLGDMUQZFPIGT-UHFFFAOYSA-N 1 1 319.408 3.563 20 30 DHEDMO C#CCCOc1ccc(C[NH2+]Cc2nc3ccc(C)cc3[nH]2)cc1 ZINC000744447218 1021549847 /nfs/dbraw/zinc/54/98/47/1021549847.db2.gz NSLGDMUQZFPIGT-UHFFFAOYSA-N 1 1 319.408 3.563 20 30 DHEDMO N#CC1(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC001172063301 1032989477 /nfs/dbraw/zinc/98/94/77/1032989477.db2.gz BUZBJTOFLJSWIF-ACDBMABISA-N 1 1 323.484 3.998 20 30 DHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(Br)nc1 ZINC000850551253 1021599635 /nfs/dbraw/zinc/59/96/35/1021599635.db2.gz UCVZOIMEWMMVET-LBPRGKRZSA-N 1 1 322.250 3.969 20 30 DHEDMO CN(C)c1ccc(C[N@H+](Cc2ccc(F)cc2C#N)C2CC2)cc1 ZINC000728688093 1021610223 /nfs/dbraw/zinc/61/02/23/1021610223.db2.gz GDVHWWNFGVMBGU-UHFFFAOYSA-N 1 1 323.415 3.928 20 30 DHEDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(F)cc2C#N)C2CC2)cc1 ZINC000728688093 1021610249 /nfs/dbraw/zinc/61/02/49/1021610249.db2.gz GDVHWWNFGVMBGU-UHFFFAOYSA-N 1 1 323.415 3.928 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000093643739 1021638152 /nfs/dbraw/zinc/63/81/52/1021638152.db2.gz DLKGZWMPHFWMET-GDBMZVCRSA-N 1 1 322.880 3.819 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1Cl ZINC000093643739 1021638159 /nfs/dbraw/zinc/63/81/59/1021638159.db2.gz DLKGZWMPHFWMET-GDBMZVCRSA-N 1 1 322.880 3.819 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1Cl ZINC000093643739 1021638165 /nfs/dbraw/zinc/63/81/65/1021638165.db2.gz DLKGZWMPHFWMET-GDBMZVCRSA-N 1 1 322.880 3.819 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(C#N)c1 ZINC000182433676 1021659621 /nfs/dbraw/zinc/65/96/21/1021659621.db2.gz NJFKIMSQZGZEDB-LLVKDONJSA-N 1 1 315.760 3.971 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c(Cl)c1 ZINC000615229118 1021715879 /nfs/dbraw/zinc/71/58/79/1021715879.db2.gz LMGRWOSFPOXZRC-HOTGVXAUSA-N 1 1 318.848 3.850 20 30 DHEDMO C=C(Cl)C[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000763434245 1021716751 /nfs/dbraw/zinc/71/67/51/1021716751.db2.gz SOQBNESXCAZPTL-UHFFFAOYSA-N 1 1 318.804 3.511 20 30 DHEDMO N#CC1(C[NH2+]Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000619535300 1021789174 /nfs/dbraw/zinc/78/91/74/1021789174.db2.gz WEVODCOWFONOBK-UHFFFAOYSA-N 1 1 310.372 3.798 20 30 DHEDMO C[N@H+]1CCC[C@@H](CNCC#Cc2ccccc2)[C@@H]1c1cccs1 ZINC000893018112 1021801302 /nfs/dbraw/zinc/80/13/02/1021801302.db2.gz CJQAKSRPEAIPQW-AZUAARDMSA-N 1 1 324.493 3.772 20 30 DHEDMO CN1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)[C@@H]1c1cccs1 ZINC000893018112 1021801315 /nfs/dbraw/zinc/80/13/15/1021801315.db2.gz CJQAKSRPEAIPQW-AZUAARDMSA-N 1 1 324.493 3.772 20 30 DHEDMO COc1cc(C[N@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)ccc1C#N ZINC000619674711 1021824980 /nfs/dbraw/zinc/82/49/80/1021824980.db2.gz CXLQMKCMUBDBRH-BXUZGUMPSA-N 1 1 312.335 3.730 20 30 DHEDMO C=CCOc1ccc(CNCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000619772561 1021905701 /nfs/dbraw/zinc/90/57/01/1021905701.db2.gz OQVWPQJFQJZXER-KRWDZBQOSA-N 1 1 316.489 3.852 20 30 DHEDMO C=CCOc1ccc(CNCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000619772561 1021905705 /nfs/dbraw/zinc/90/57/05/1021905705.db2.gz OQVWPQJFQJZXER-KRWDZBQOSA-N 1 1 316.489 3.852 20 30 DHEDMO C#CCOCC[N@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000851810043 1022013000 /nfs/dbraw/zinc/01/30/00/1022013000.db2.gz VNFMCTMHGSBMAC-HNNXBMFYSA-N 1 1 314.454 3.761 20 30 DHEDMO C#CCOCC[N@H+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000851810044 1022014023 /nfs/dbraw/zinc/01/40/23/1022014023.db2.gz VNFMCTMHGSBMAC-OAHLLOKOSA-N 1 1 314.454 3.761 20 30 DHEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc(-c2cccc(OC)c2)n1 ZINC000852097710 1022071771 /nfs/dbraw/zinc/07/17/71/1022071771.db2.gz UZBYIFOBJLUFEG-KRWDZBQOSA-N 1 1 300.427 3.710 20 30 DHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000776581821 1022101118 /nfs/dbraw/zinc/10/11/18/1022101118.db2.gz MOZPBDAWXBLONK-GJZGRUSLSA-N 1 1 323.481 3.694 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000852319783 1022104658 /nfs/dbraw/zinc/10/46/58/1022104658.db2.gz RPDSAVQVQWWZOE-NHYWBVRUSA-N 1 1 313.228 3.652 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000852319783 1022104664 /nfs/dbraw/zinc/10/46/64/1022104664.db2.gz RPDSAVQVQWWZOE-NHYWBVRUSA-N 1 1 313.228 3.652 20 30 DHEDMO CN(C)C(=O)Sc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000852319425 1022105075 /nfs/dbraw/zinc/10/50/75/1022105075.db2.gz MHTOQVRJWIRPRF-AWEZNQCLSA-N 1 1 317.458 3.586 20 30 DHEDMO Cc1cccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@@H](CC#N)C3)o2)c1 ZINC000852318841 1022105532 /nfs/dbraw/zinc/10/55/32/1022105532.db2.gz CMJZXTMLJHTVOE-CABCVRRESA-N 1 1 310.401 3.732 20 30 DHEDMO Cc1cccc(-c2nnc([C@@H](C)[N@H+]3CCC[C@@H](CC#N)C3)o2)c1 ZINC000852318841 1022105534 /nfs/dbraw/zinc/10/55/34/1022105534.db2.gz CMJZXTMLJHTVOE-CABCVRRESA-N 1 1 310.401 3.732 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000852412190 1022117920 /nfs/dbraw/zinc/11/79/20/1022117920.db2.gz ZGDFENVIZHHFMX-KRWDZBQOSA-N 1 1 312.457 3.711 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000076153632 1022121473 /nfs/dbraw/zinc/12/14/73/1022121473.db2.gz RFIDZLDLRDMTRZ-VQTJNVASSA-N 1 1 301.393 3.830 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000076153632 1022121479 /nfs/dbraw/zinc/12/14/79/1022121479.db2.gz RFIDZLDLRDMTRZ-VQTJNVASSA-N 1 1 301.393 3.830 20 30 DHEDMO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cccc(C(C)(C)C)c2)CC1 ZINC001168875657 1022172281 /nfs/dbraw/zinc/17/22/81/1022172281.db2.gz ZIHFIUJSHQFDAK-LJQANCHMSA-N 1 1 313.489 3.650 20 30 DHEDMO C#CCC[N@@H+](CCOC)Cc1nc(-c2ccc(C)cc2)cs1 ZINC000852749122 1022172690 /nfs/dbraw/zinc/17/26/90/1022172690.db2.gz PCUCNXUUCRLEGY-UHFFFAOYSA-N 1 1 314.454 3.590 20 30 DHEDMO C#CCC[N@H+](CCOC)Cc1nc(-c2ccc(C)cc2)cs1 ZINC000852749122 1022172699 /nfs/dbraw/zinc/17/26/99/1022172699.db2.gz PCUCNXUUCRLEGY-UHFFFAOYSA-N 1 1 314.454 3.590 20 30 DHEDMO CCC[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1O ZINC000110990082 1022191015 /nfs/dbraw/zinc/19/10/15/1022191015.db2.gz AHXOMTKAKRIQKL-UHFFFAOYSA-N 1 1 319.408 3.929 20 30 DHEDMO Fc1cccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000076181295 1022199275 /nfs/dbraw/zinc/19/92/75/1022199275.db2.gz HJMQEVXQBARWNH-GHMZBOCLSA-N 1 1 315.232 3.998 20 30 DHEDMO N#Cc1cc(CNC[C@H](c2ccccc2)[NH+]2CCCC2)cs1 ZINC000921472578 1022263923 /nfs/dbraw/zinc/26/39/23/1022263923.db2.gz KTPIGRNLLHCWFQ-GOSISDBHSA-N 1 1 311.454 3.546 20 30 DHEDMO C=C1CC(C(=O)N2CC3(C2)CC[N@H+](C[C@H](CC)CCCC)C3)C1 ZINC001272708702 1022273586 /nfs/dbraw/zinc/27/35/86/1022273586.db2.gz BEARHNGXOBDSFG-QGZVFWFLSA-N 1 1 318.505 3.703 20 30 DHEDMO C=CC[N@@H+](Cn1ccc(=S)c2ccccc21)[C@H](C)COC ZINC000853532568 1022287842 /nfs/dbraw/zinc/28/78/42/1022287842.db2.gz HGRFGSDXCODNSE-CQSZACIVSA-N 1 1 302.443 3.851 20 30 DHEDMO CCc1nc([C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cs1 ZINC000111406711 1022293213 /nfs/dbraw/zinc/29/32/13/1022293213.db2.gz DHYARNSZCFEIOE-CHWSQXEVSA-N 1 1 315.442 3.847 20 30 DHEDMO C[N@@H+](C[C@H](C#N)CCC#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000609574967 1022305218 /nfs/dbraw/zinc/30/52/18/1022305218.db2.gz HBLOCBVWRASZHH-YTQUADARSA-N 1 1 311.429 3.530 20 30 DHEDMO N#Cc1ccc(OCC[N@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000609800581 1022352808 /nfs/dbraw/zinc/35/28/08/1022352808.db2.gz OLXSWCLHZMPJOO-LJQANCHMSA-N 1 1 324.449 3.727 20 30 DHEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC001169329900 1022359893 /nfs/dbraw/zinc/35/98/93/1022359893.db2.gz AUUGULIYQWEJHQ-WMZOPIPTSA-N 1 1 313.445 3.787 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000609822902 1022360973 /nfs/dbraw/zinc/36/09/73/1022360973.db2.gz QJAGGJKWBIGKAF-CQSZACIVSA-N 1 1 310.397 3.768 20 30 DHEDMO Cc1nccc([C@H]2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000609822913 1022361404 /nfs/dbraw/zinc/36/14/04/1022361404.db2.gz RAKUPVSHQAZGOE-KSSFIOAISA-N 1 1 306.413 3.597 20 30 DHEDMO C=CCCC[N@H+](C)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000609916143 1022383487 /nfs/dbraw/zinc/38/34/87/1022383487.db2.gz DHAICNRXHNYNDP-IBGZPJMESA-N 1 1 320.285 3.999 20 30 DHEDMO Cc1nc(C(F)(F)F)c(CO[NH+]=C(N)C2CCCCC2)s1 ZINC000184198094 1022389308 /nfs/dbraw/zinc/38/93/08/1022389308.db2.gz GLABRZVYEBCXJE-UHFFFAOYSA-N 1 1 321.368 3.839 20 30 DHEDMO N#Cc1ccc(OCC[N@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000610079955 1022416705 /nfs/dbraw/zinc/41/67/05/1022416705.db2.gz LIIXIQXBNOTGBE-UHFFFAOYSA-N 1 1 312.800 3.649 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CCc3c(Cl)cccc3C2)cc1 ZINC000610079955 1022416714 /nfs/dbraw/zinc/41/67/14/1022416714.db2.gz LIIXIQXBNOTGBE-UHFFFAOYSA-N 1 1 312.800 3.649 20 30 DHEDMO C[C@@H](C#N)C[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000183817004 1022418439 /nfs/dbraw/zinc/41/84/39/1022418439.db2.gz NBCAUROVIMKACC-QMMMGPOBSA-N 1 1 321.140 3.717 20 30 DHEDMO COc1ccccc1C[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000179588832 1022475627 /nfs/dbraw/zinc/47/56/27/1022475627.db2.gz UCDYOBGBFQABCW-OAHLLOKOSA-N 1 1 310.397 3.618 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000179646793 1022497474 /nfs/dbraw/zinc/49/74/74/1022497474.db2.gz DZUMFFXABVGETH-UHFFFAOYSA-N 1 1 311.404 3.808 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000620998432 1022502615 /nfs/dbraw/zinc/50/26/15/1022502615.db2.gz QUKDETNHDCTUAG-SFHVURJKSA-N 1 1 309.409 3.557 20 30 DHEDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2cc(C#N)cs2)CC1 ZINC000338964042 1022526301 /nfs/dbraw/zinc/52/63/01/1022526301.db2.gz MSWHBOGZZDLTER-UHFFFAOYSA-N 1 1 320.458 3.564 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCCC[C@H]2Cc2ccccc2F)n1 ZINC000593081141 1033062062 /nfs/dbraw/zinc/06/20/62/1033062062.db2.gz IAFQWOKAFSHVDA-HNNXBMFYSA-N 1 1 315.417 3.751 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2F)n1 ZINC000593081141 1033062072 /nfs/dbraw/zinc/06/20/72/1033062072.db2.gz IAFQWOKAFSHVDA-HNNXBMFYSA-N 1 1 315.417 3.751 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000014855701 1022639443 /nfs/dbraw/zinc/63/94/43/1022639443.db2.gz NLZZOHKJWZQGTB-IYBDPMFKSA-N 1 1 306.409 3.834 20 30 DHEDMO CC[N@H+](CCC#N)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000081040859 1022643918 /nfs/dbraw/zinc/64/39/18/1022643918.db2.gz JGDGGFSCPXUIDU-UHFFFAOYSA-N 1 1 321.424 3.918 20 30 DHEDMO CC[N@@H+](CCC#N)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000081040859 1022643924 /nfs/dbraw/zinc/64/39/24/1022643924.db2.gz JGDGGFSCPXUIDU-UHFFFAOYSA-N 1 1 321.424 3.918 20 30 DHEDMO Cc1cccc([C@H](O)C[N@H+](Cc2ccccc2)CC2(C#N)CC2)c1 ZINC000767119858 1022647858 /nfs/dbraw/zinc/64/78/58/1022647858.db2.gz QVQRCOOBRHZSDH-HXUWFJFHSA-N 1 1 320.436 3.834 20 30 DHEDMO Cc1cccc([C@H](O)C[N@@H+](Cc2ccccc2)CC2(C#N)CC2)c1 ZINC000767119858 1022647865 /nfs/dbraw/zinc/64/78/65/1022647865.db2.gz QVQRCOOBRHZSDH-HXUWFJFHSA-N 1 1 320.436 3.834 20 30 DHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cn2)C12CCCCC2 ZINC000584756942 1022710532 /nfs/dbraw/zinc/71/05/32/1022710532.db2.gz DVKYPZNFWCIXKS-ZWKOTPCHSA-N 1 1 313.445 3.513 20 30 DHEDMO C=CCC[C@@H]([NH2+]c1ccc(N2CCOCC2)c(C)c1)C1CC1 ZINC000180433047 1022720035 /nfs/dbraw/zinc/72/00/35/1022720035.db2.gz FJJPBIMGYNJDGT-GOSISDBHSA-N 1 1 300.446 3.988 20 30 DHEDMO Cc1ccccc1O[C@@H]1CC[N@H+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172305754 1033075493 /nfs/dbraw/zinc/07/54/93/1033075493.db2.gz FXURDBYRDBBRCY-YLJYHZDGSA-N 1 1 320.436 3.951 20 30 DHEDMO CCn1ccc(C[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)c1 ZINC000616786218 1022767796 /nfs/dbraw/zinc/76/77/96/1022767796.db2.gz PGZOGKOCAXECQQ-UHFFFAOYSA-N 1 1 319.355 3.613 20 30 DHEDMO CCn1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)c1 ZINC000616786218 1022767813 /nfs/dbraw/zinc/76/78/13/1022767813.db2.gz PGZOGKOCAXECQQ-UHFFFAOYSA-N 1 1 319.355 3.613 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@H+]([C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172310063 1033079849 /nfs/dbraw/zinc/07/98/49/1033079849.db2.gz ZVGYMHKSDOQQLJ-LPHOPBHVSA-N 1 1 320.436 3.987 20 30 DHEDMO CC(=O)c1ccc2c(c1)C[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172309621 1033079958 /nfs/dbraw/zinc/07/99/58/1033079958.db2.gz AJFSCMGOIAXQFB-OAHLLOKOSA-N 1 1 318.420 3.750 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](CCC#N)Cc1ccccc1 ZINC001172308208 1033080102 /nfs/dbraw/zinc/08/01/02/1033080102.db2.gz JDUBUXBFXCOLLK-QGZVFWFLSA-N 1 1 303.409 3.905 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001172312608 1033082158 /nfs/dbraw/zinc/08/21/58/1033082158.db2.gz HQABRRFNDRUWOJ-QRWLVFNGSA-N 1 1 324.399 3.702 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001172312608 1033082169 /nfs/dbraw/zinc/08/21/69/1033082169.db2.gz HQABRRFNDRUWOJ-QRWLVFNGSA-N 1 1 324.399 3.702 20 30 DHEDMO CC[N@@H+](CCc1ccccn1)Cc1ccccc1C(C)(C)C#N ZINC000767888494 1022827794 /nfs/dbraw/zinc/82/77/94/1022827794.db2.gz FBTSRELAPJBQCA-UHFFFAOYSA-N 1 1 307.441 3.947 20 30 DHEDMO C[C@H](NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000538507551 1033087054 /nfs/dbraw/zinc/08/70/54/1033087054.db2.gz MUZCZVUGMUOGBM-CABCVRRESA-N 1 1 317.452 3.858 20 30 DHEDMO C[C@H]([NH2+]CC(C)(C)N1CCC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000538507551 1033087073 /nfs/dbraw/zinc/08/70/73/1033087073.db2.gz MUZCZVUGMUOGBM-CABCVRRESA-N 1 1 317.452 3.858 20 30 DHEDMO CC(C)(CCC#N)C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338999156 1022879694 /nfs/dbraw/zinc/87/96/94/1022879694.db2.gz PLDQUQMFSTWGHB-UHFFFAOYSA-N 1 1 323.444 3.562 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(C(=O)OCC)o1)[C@H]1CCc2ccccc21 ZINC000768129556 1022898285 /nfs/dbraw/zinc/89/82/85/1022898285.db2.gz GSRDZHJYDPSIDH-SFHVURJKSA-N 1 1 323.392 3.579 20 30 DHEDMO C#CC[N@H+](Cc1ccc(C(=O)OCC)o1)[C@H]1CCc2ccccc21 ZINC000768129556 1022898303 /nfs/dbraw/zinc/89/83/03/1022898303.db2.gz GSRDZHJYDPSIDH-SFHVURJKSA-N 1 1 323.392 3.579 20 30 DHEDMO COc1cc(C[N@H+](CCC#N)CC(C)C)ccc1OC(C)C ZINC000768153356 1022905485 /nfs/dbraw/zinc/90/54/85/1022905485.db2.gz DWFFYGNISLEVNG-UHFFFAOYSA-N 1 1 304.434 3.854 20 30 DHEDMO COc1cc(C[N@@H+](CCC#N)CC(C)C)ccc1OC(C)C ZINC000768153356 1022905494 /nfs/dbraw/zinc/90/54/94/1022905494.db2.gz DWFFYGNISLEVNG-UHFFFAOYSA-N 1 1 304.434 3.854 20 30 DHEDMO CC(C)C[N@H+]1CCC[C@H](CN[C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000538510693 1033091038 /nfs/dbraw/zinc/09/10/38/1033091038.db2.gz DKDARDXSGSEJTH-HZPDHXFCSA-N 1 1 317.452 3.716 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857170400 1022961344 /nfs/dbraw/zinc/96/13/44/1022961344.db2.gz OTEPXINDRKOILB-LPHOPBHVSA-N 1 1 314.473 3.970 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857170402 1022961735 /nfs/dbraw/zinc/96/17/35/1022961735.db2.gz OTEPXINDRKOILB-QFBILLFUSA-N 1 1 314.473 3.970 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@@H](C)[C@H]1C ZINC000418125162 1022964671 /nfs/dbraw/zinc/96/46/71/1022964671.db2.gz JBASWMABTOGHAI-IKGGRYGDSA-N 1 1 322.456 3.940 20 30 DHEDMO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CC1(C#N)CCC1 ZINC000418142216 1022971716 /nfs/dbraw/zinc/97/17/16/1022971716.db2.gz MIWOJYMLJAIRIU-UHFFFAOYSA-N 1 1 322.456 3.953 20 30 DHEDMO CC[N@@H+](Cc1c(O)cccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000768514934 1022985898 /nfs/dbraw/zinc/98/58/98/1022985898.db2.gz MMKRBJBOVXBUOU-CQSZACIVSA-N 1 1 310.397 3.856 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccccc2C(F)(F)F)no1 ZINC001212325415 1023005053 /nfs/dbraw/zinc/00/50/53/1023005053.db2.gz QXJRDROHEIQKFD-LBPRGKRZSA-N 1 1 309.291 3.559 20 30 DHEDMO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000695866005 1023037822 /nfs/dbraw/zinc/03/78/22/1023037822.db2.gz WZVMXZRRXOGLQB-IEBWSBKVSA-N 1 1 313.489 3.817 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)on1 ZINC000768879954 1023046515 /nfs/dbraw/zinc/04/65/15/1023046515.db2.gz ZXXYTKSSBWMUTR-YOEHRIQHSA-N 1 1 311.385 3.611 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000081534472 1023089858 /nfs/dbraw/zinc/08/98/58/1023089858.db2.gz OQFRWPYLEGNBGV-UWJYYQICSA-N 1 1 319.452 3.826 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000081534472 1023089859 /nfs/dbraw/zinc/08/98/59/1023089859.db2.gz OQFRWPYLEGNBGV-UWJYYQICSA-N 1 1 319.452 3.826 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000081534472 1023089863 /nfs/dbraw/zinc/08/98/63/1023089863.db2.gz OQFRWPYLEGNBGV-UWJYYQICSA-N 1 1 319.452 3.826 20 30 DHEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876617279 1033105220 /nfs/dbraw/zinc/10/52/20/1033105220.db2.gz JBCOKZFKUWKAQG-HZPDHXFCSA-N 1 1 323.481 3.505 20 30 DHEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876617278 1033106864 /nfs/dbraw/zinc/10/68/64/1033106864.db2.gz JBCOKZFKUWKAQG-HOTGVXAUSA-N 1 1 323.481 3.505 20 30 DHEDMO C#CCCOc1ccc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)cc1 ZINC000769389687 1023139842 /nfs/dbraw/zinc/13/98/42/1023139842.db2.gz MYVOGXZMUHRGEE-KRWDZBQOSA-N 1 1 323.436 3.857 20 30 DHEDMO C#CCOc1ccccc1C[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000769446137 1023154569 /nfs/dbraw/zinc/15/45/69/1023154569.db2.gz ODNDBLIMMNYIKO-OAQYLSRUSA-N 1 1 321.420 3.581 20 30 DHEDMO C#CCOc1ccccc1C[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000769446137 1023154571 /nfs/dbraw/zinc/15/45/71/1023154571.db2.gz ODNDBLIMMNYIKO-OAQYLSRUSA-N 1 1 321.420 3.581 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759864327 1023155427 /nfs/dbraw/zinc/15/54/27/1023155427.db2.gz HLMCHJZAXNYPRA-QGZVFWFLSA-N 1 1 323.795 3.836 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000769506202 1023169019 /nfs/dbraw/zinc/16/90/19/1023169019.db2.gz OFJFZJNSZGBOPP-OAQYLSRUSA-N 1 1 319.452 3.853 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(OC)c(OC)c1Cl)C1CCCC1 ZINC000769532795 1023174115 /nfs/dbraw/zinc/17/41/15/1023174115.db2.gz XOSLOEIYXPUELS-UHFFFAOYSA-N 1 1 307.821 3.735 20 30 DHEDMO C#CC[N@H+](Cc1ccc(OC)c(OC)c1Cl)C1CCCC1 ZINC000769532795 1023174122 /nfs/dbraw/zinc/17/41/22/1023174122.db2.gz XOSLOEIYXPUELS-UHFFFAOYSA-N 1 1 307.821 3.735 20 30 DHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)CCO2 ZINC001172377330 1033112469 /nfs/dbraw/zinc/11/24/69/1033112469.db2.gz LZLOUTZKWGHVIY-OUUBHVDSSA-N 1 1 321.505 3.885 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCCC3(CC3)C2)c1O ZINC000769799442 1023217621 /nfs/dbraw/zinc/21/76/21/1023217621.db2.gz WMTRBABNAJLBLM-UHFFFAOYSA-N 1 1 301.430 3.895 20 30 DHEDMO C#C[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000769960982 1023247468 /nfs/dbraw/zinc/24/74/68/1023247468.db2.gz JTQCINCYQMPQDD-AWEZNQCLSA-N 1 1 314.816 3.768 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000769960982 1023247471 /nfs/dbraw/zinc/24/74/71/1023247471.db2.gz JTQCINCYQMPQDD-AWEZNQCLSA-N 1 1 314.816 3.768 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H]3C[C@H]3c3ccccc3)CCO2)c1 ZINC000770390911 1023304902 /nfs/dbraw/zinc/30/49/02/1023304902.db2.gz MLCJIVMQDUYXKK-HKBOAZHASA-N 1 1 318.420 3.735 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](OC)C1CCC1 ZINC000660540522 1023315535 /nfs/dbraw/zinc/31/55/35/1023315535.db2.gz RTIFVNVOXJETCA-GOSISDBHSA-N 1 1 305.466 3.657 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC000660628738 1023353687 /nfs/dbraw/zinc/35/36/87/1023353687.db2.gz WSOHWLKPGHVREV-QGZVFWFLSA-N 1 1 310.828 3.966 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2snc(Cl)c2C#N)C1 ZINC000771102317 1023397471 /nfs/dbraw/zinc/39/74/71/1023397471.db2.gz XTSVUYMPUREZHH-TUAOUCFPSA-N 1 1 324.881 3.510 20 30 DHEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCC(C)(C)C ZINC000592144804 1023410647 /nfs/dbraw/zinc/41/06/47/1023410647.db2.gz IYEMZEHNSLHFKS-INIZCTEOSA-N 1 1 315.461 3.690 20 30 DHEDMO C=CC[N@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@H](C)COC ZINC000661248495 1023539252 /nfs/dbraw/zinc/53/92/52/1023539252.db2.gz UTIAJNXFGCWGJD-CYBMUJFWSA-N 1 1 304.365 3.504 20 30 DHEDMO C=CC[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@H](C)COC ZINC000661248495 1023539257 /nfs/dbraw/zinc/53/92/57/1023539257.db2.gz UTIAJNXFGCWGJD-CYBMUJFWSA-N 1 1 304.365 3.504 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000772326633 1023548191 /nfs/dbraw/zinc/54/81/91/1023548191.db2.gz XXAWACNIJGFNML-LSDHHAIUSA-N 1 1 323.481 3.646 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000661380568 1023581798 /nfs/dbraw/zinc/58/17/98/1023581798.db2.gz OFGSUVLIJXADPT-HOCLYGCPSA-N 1 1 314.429 3.504 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000661380568 1023581805 /nfs/dbraw/zinc/58/18/05/1023581805.db2.gz OFGSUVLIJXADPT-HOCLYGCPSA-N 1 1 314.429 3.504 20 30 DHEDMO N#C[C@H](c1ccccc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000595287527 1023638906 /nfs/dbraw/zinc/63/89/06/1023638906.db2.gz JGIJUXHAVNMMOH-HXUWFJFHSA-N 1 1 323.415 3.598 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000785998688 1023650576 /nfs/dbraw/zinc/65/05/76/1023650576.db2.gz KNKIICRHVRHJHZ-HNNXBMFYSA-N 1 1 313.397 3.521 20 30 DHEDMO C[C@@H](CCC#N)CNc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000876838033 1033163958 /nfs/dbraw/zinc/16/39/58/1033163958.db2.gz VMAMGQIRRAPJIS-DLBZAZTESA-N 1 1 315.461 3.759 20 30 DHEDMO C#CC[N@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000787275636 1023782323 /nfs/dbraw/zinc/78/23/23/1023782323.db2.gz PSDDGSOFGZTSBP-UHFFFAOYSA-N 1 1 319.330 3.693 20 30 DHEDMO C#CC(C)(C)[N@H+](C)Cc1cc(=O)oc2cc(CC)c(Cl)cc12 ZINC000787998362 1023837091 /nfs/dbraw/zinc/83/70/91/1023837091.db2.gz GDGQZJFMGJAECQ-UHFFFAOYSA-N 1 1 317.816 3.852 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1Cl ZINC000538749418 1033166556 /nfs/dbraw/zinc/16/65/56/1033166556.db2.gz LVRGRWVDDKKELV-HOTGVXAUSA-N 1 1 321.848 3.763 20 30 DHEDMO C#CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCCCC1 ZINC000788234192 1023867126 /nfs/dbraw/zinc/86/71/26/1023867126.db2.gz FNGICEFAGTZMJB-MOPGFXCFSA-N 1 1 324.468 3.522 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000662078179 1023890085 /nfs/dbraw/zinc/89/00/85/1023890085.db2.gz CHGVKXDSCOSTPD-CWRNSKLLSA-N 1 1 302.393 3.644 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000662086333 1023893717 /nfs/dbraw/zinc/89/37/17/1023893717.db2.gz RFKKAFZDWNMDHQ-OAGGEKHMSA-N 1 1 314.429 3.514 20 30 DHEDMO CC(C)(C#N)C[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000893550112 1023976646 /nfs/dbraw/zinc/97/66/46/1023976646.db2.gz AMZCYLPURXJCEE-UHFFFAOYSA-N 1 1 324.197 3.709 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCCN(c2ccccc2)C1 ZINC000531143323 1024034237 /nfs/dbraw/zinc/03/42/37/1024034237.db2.gz SZJFLJXKJQRKNC-LJQANCHMSA-N 1 1 323.415 3.798 20 30 DHEDMO COc1ccc2cc(C[N@@H+](C)CCCSCC#N)ccc2c1 ZINC000266703241 1024041209 /nfs/dbraw/zinc/04/12/09/1024041209.db2.gz FWZDNOYPLHNKGA-UHFFFAOYSA-N 1 1 314.454 3.927 20 30 DHEDMO N#Cc1cc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)ccc1F ZINC000268264118 1024092438 /nfs/dbraw/zinc/09/24/38/1024092438.db2.gz YDTASRQWDCUYOM-FQEVSTJZSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCCC[C@@H]2c2ccco2)cc1 ZINC000268649574 1024138136 /nfs/dbraw/zinc/13/81/36/1024138136.db2.gz GHJMFFJVGYMKHB-MSOLQXFVSA-N 1 1 310.397 3.802 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C1CC1)C1CCCCC1 ZINC000610132871 1024254500 /nfs/dbraw/zinc/25/45/00/1024254500.db2.gz USYFGROHCCGACA-UHFFFAOYSA-N 1 1 314.429 3.743 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc(F)cc(F)c1O ZINC000883147027 1024259547 /nfs/dbraw/zinc/25/95/47/1024259547.db2.gz IGHNBLLLRKXQBL-QGZVFWFLSA-N 1 1 314.335 3.709 20 30 DHEDMO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CC[C@@H](C)C3)C2)CC1 ZINC001170132609 1024267244 /nfs/dbraw/zinc/26/72/44/1024267244.db2.gz NYADFPJBNBJBMH-SJORKVTESA-N 1 1 320.477 3.676 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)c(F)c1 ZINC000269396646 1024272606 /nfs/dbraw/zinc/27/26/06/1024272606.db2.gz FCKIYLAORMNHRS-RBUKOAKNSA-N 1 1 310.372 3.707 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[C@H](C)C1)[C@@H]2CC ZINC001170139435 1024322170 /nfs/dbraw/zinc/32/21/70/1024322170.db2.gz UXPBNHUCWRSOHH-FAJBIJEISA-N 1 1 304.478 3.597 20 30 DHEDMO CC[C@H](C)c1nc([C@@H](C)N[C@@H](CC)c2ccc(C#N)cc2)n[nH]1 ZINC000278895104 1024363080 /nfs/dbraw/zinc/36/30/80/1024363080.db2.gz YWURIWQIOUBYHW-ZENOOKHLSA-N 1 1 311.433 3.992 20 30 DHEDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](CC)c2ccc(C#N)cc2)[nH]1 ZINC000278895104 1024363095 /nfs/dbraw/zinc/36/30/95/1024363095.db2.gz YWURIWQIOUBYHW-ZENOOKHLSA-N 1 1 311.433 3.992 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000270498610 1024397851 /nfs/dbraw/zinc/39/78/51/1024397851.db2.gz QEWRARNAQVMKJT-SFHVURJKSA-N 1 1 316.408 3.573 20 30 DHEDMO COc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)cc1C#N ZINC000883383287 1024417980 /nfs/dbraw/zinc/41/79/80/1024417980.db2.gz WLZWICXOBPXLFX-IEBWSBKVSA-N 1 1 310.372 3.682 20 30 DHEDMO CC(C)C[N@@H+](CCC(C)(C)C#N)C[C@H](O)c1ccc(F)cc1 ZINC000131696618 1024425592 /nfs/dbraw/zinc/42/55/92/1024425592.db2.gz ZDJVKURLCBGVNA-KRWDZBQOSA-N 1 1 306.425 3.757 20 30 DHEDMO C=CCN(C(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000647741719 1024462793 /nfs/dbraw/zinc/46/27/93/1024462793.db2.gz DYVYRTKHIMVDKY-QGZVFWFLSA-N 1 1 320.436 3.652 20 30 DHEDMO C=CCN(C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000647741719 1024462795 /nfs/dbraw/zinc/46/27/95/1024462795.db2.gz DYVYRTKHIMVDKY-QGZVFWFLSA-N 1 1 320.436 3.652 20 30 DHEDMO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000373118087 1024544635 /nfs/dbraw/zinc/54/46/35/1024544635.db2.gz NENQUGZVYZHCOH-SJORKVTESA-N 1 1 319.493 3.572 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000274261989 1024565712 /nfs/dbraw/zinc/56/57/12/1024565712.db2.gz CHBMIJXONSLFMR-WDYCEAGBSA-N 1 1 312.457 3.732 20 30 DHEDMO COc1ccc(Br)c(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)c1 ZINC000339123920 1024570197 /nfs/dbraw/zinc/57/01/97/1024570197.db2.gz GXVSZLBEXYVNNL-AAEUAGOBSA-N 1 1 323.234 3.582 20 30 DHEDMO COc1ccc(Br)c(C[N@H+](C)[C@H]2CC[C@H](C#N)C2)c1 ZINC000339123920 1024570185 /nfs/dbraw/zinc/57/01/85/1024570185.db2.gz GXVSZLBEXYVNNL-AAEUAGOBSA-N 1 1 323.234 3.582 20 30 DHEDMO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000348715436 1024608448 /nfs/dbraw/zinc/60/84/48/1024608448.db2.gz PTLMIBZCLJKVJV-HNAYVOBHSA-N 1 1 323.440 3.879 20 30 DHEDMO CCCC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](CC)CCCC ZINC001274653758 1024610665 /nfs/dbraw/zinc/61/06/65/1024610665.db2.gz FQBWSODGWHCVFT-QRVBRYPASA-N 1 1 318.505 3.682 20 30 DHEDMO C=C(C)C[N@@H+](C/C=C\c1ccncc1)Cc1cnn(C(C)C)c1 ZINC000348875651 1024639358 /nfs/dbraw/zinc/63/93/58/1024639358.db2.gz LBNFNDRRTUVJBX-WAYWQWQTSA-N 1 1 310.445 3.951 20 30 DHEDMO C=C(C)C[N@H+](C/C=C\c1ccncc1)Cc1cnn(C(C)C)c1 ZINC000348875651 1024639366 /nfs/dbraw/zinc/63/93/66/1024639366.db2.gz LBNFNDRRTUVJBX-WAYWQWQTSA-N 1 1 310.445 3.951 20 30 DHEDMO CCCCCCCCC[N@H+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000792208921 1024648728 /nfs/dbraw/zinc/64/87/28/1024648728.db2.gz LJUVFLXXVIUXRC-IBGZPJMESA-N 1 1 310.526 3.924 20 30 DHEDMO CCCCCCCCCN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000792208921 1024648732 /nfs/dbraw/zinc/64/87/32/1024648732.db2.gz LJUVFLXXVIUXRC-IBGZPJMESA-N 1 1 310.526 3.924 20 30 DHEDMO CCCCCCCCCN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000792208921 1024648735 /nfs/dbraw/zinc/64/87/35/1024648735.db2.gz LJUVFLXXVIUXRC-IBGZPJMESA-N 1 1 310.526 3.924 20 30 DHEDMO O[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000792246997 1024652219 /nfs/dbraw/zinc/65/22/19/1024652219.db2.gz UADJVUXKFZFQNX-SFTDATJTSA-N 1 1 305.421 3.626 20 30 DHEDMO C#CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCc2ccccc21 ZINC000792210639 1024653466 /nfs/dbraw/zinc/65/34/66/1024653466.db2.gz PIRGSFGZFFLMTJ-HXUWFJFHSA-N 1 1 304.368 3.820 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172496856 1033226968 /nfs/dbraw/zinc/22/69/68/1033226968.db2.gz SERWGEYLJBOHCU-OAHLLOKOSA-N 1 1 323.481 3.648 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+](C)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001172498868 1033227849 /nfs/dbraw/zinc/22/78/49/1033227849.db2.gz SAYDSPJHOQAFAM-QAPCUYQASA-N 1 1 323.481 3.790 20 30 DHEDMO C[C@@H](CCCC#N)[N@@H+]1Cc2cnc(-c3ccc(F)cc3)nc2C1 ZINC001172497587 1033229764 /nfs/dbraw/zinc/22/97/64/1033229764.db2.gz DAUQWNRFXBIGHL-ZDUSSCGKSA-N 1 1 310.376 3.681 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1Cc2cnc(-c3ccc(F)cc3)nc2C1 ZINC001172497587 1033229776 /nfs/dbraw/zinc/22/97/76/1033229776.db2.gz DAUQWNRFXBIGHL-ZDUSSCGKSA-N 1 1 310.376 3.681 20 30 DHEDMO COc1ccc2c(c1)c1c(n2C)CC[N@@H+]([C@H](C)CCCC#N)C1 ZINC001172500037 1033229897 /nfs/dbraw/zinc/22/98/97/1033229897.db2.gz IZSXSPHADYVHJT-CQSZACIVSA-N 1 1 311.429 3.627 20 30 DHEDMO CCOC(=O)CCC[N@@H+](Cc1ccccc1)[C@@H](C)CCCC#N ZINC001172503327 1033232922 /nfs/dbraw/zinc/23/29/22/1033232922.db2.gz FLIGUEOBOHZNPK-KRWDZBQOSA-N 1 1 316.445 3.914 20 30 DHEDMO CCCCCCCC[C@H](CC)[N@H+]1Cc2ccnn2CC[C@@H]1CO ZINC001172502047 1033233050 /nfs/dbraw/zinc/23/30/50/1033233050.db2.gz MWHOZRFKTONNNW-PKOBYXMFSA-N 1 1 321.509 3.979 20 30 DHEDMO C[N@@H+](C[C@@H]1CCCCO1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170389474 1024760716 /nfs/dbraw/zinc/76/07/16/1024760716.db2.gz UKGYWJXJHDKRDV-GPJFCIFZSA-N 1 1 312.457 3.891 20 30 DHEDMO CC[N@@H+](C1CCOCC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170387491 1024760883 /nfs/dbraw/zinc/76/08/83/1024760883.db2.gz WGQYTKRYXZBZBE-UHFFFAOYSA-N 1 1 312.457 3.891 20 30 DHEDMO CNCC[N@@H+](C1CCC(C#N)(c2ccccc2)CC1)C(C)(C)C ZINC001170398477 1024763792 /nfs/dbraw/zinc/76/37/92/1024763792.db2.gz QCNQJRMHWWPWFR-UHFFFAOYSA-N 1 1 313.489 3.710 20 30 DHEDMO C[NH2+]CCN(C1CCC(C#N)(c2ccccc2)CC1)C(C)(C)C ZINC001170398477 1024763800 /nfs/dbraw/zinc/76/38/00/1024763800.db2.gz QCNQJRMHWWPWFR-UHFFFAOYSA-N 1 1 313.489 3.710 20 30 DHEDMO CC(=O)[C@H]1CCCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395960 1024764389 /nfs/dbraw/zinc/76/43/89/1024764389.db2.gz RHASJAGJBDVJIX-IOJLRTSASA-N 1 1 310.441 3.834 20 30 DHEDMO CC(C)[N@@H+](C1CCC(C#N)(c2ccccc2)CC1)C(C)(C)CN ZINC001170375635 1024766061 /nfs/dbraw/zinc/76/60/61/1024766061.db2.gz BSCXLBDIOUPFNR-UHFFFAOYSA-N 1 1 313.489 3.838 20 30 DHEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000348293304 1024770961 /nfs/dbraw/zinc/77/09/61/1024770961.db2.gz ZKBXHYPPUUUOPE-BXUZGUMPSA-N 1 1 307.319 3.584 20 30 DHEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000348293304 1024770971 /nfs/dbraw/zinc/77/09/71/1024770971.db2.gz ZKBXHYPPUUUOPE-BXUZGUMPSA-N 1 1 307.319 3.584 20 30 DHEDMO N#Cc1c(Cl)cccc1NCC[N@H+]1CCc2sccc2C1 ZINC000350280269 1024803112 /nfs/dbraw/zinc/80/31/12/1024803112.db2.gz VKOZVJRBFQBEKL-UHFFFAOYSA-N 1 1 317.845 3.743 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCc2ccc(Br)cc2C1 ZINC001172507584 1033235506 /nfs/dbraw/zinc/23/55/06/1033235506.db2.gz XAGFUEYERSARKI-GFCCVEGCSA-N 1 1 307.235 3.890 20 30 DHEDMO Cn1cc(C[NH2+][C@@H]2CCC[C@H]2C#N)c(-c2ccccc2Cl)n1 ZINC000350456528 1024816940 /nfs/dbraw/zinc/81/69/40/1024816940.db2.gz GXWIORGOZNEFKP-BLLLJJGKSA-N 1 1 314.820 3.522 20 30 DHEDMO COc1cccc([C@@H]2CSCC[N@H+]2[C@@H](C)CCCC#N)c1 ZINC001172509660 1033237133 /nfs/dbraw/zinc/23/71/33/1033237133.db2.gz NJJIPURCQSMHEU-YOEHRIQHSA-N 1 1 304.459 3.867 20 30 DHEDMO C#CCCOc1ccc(C[NH2+]C(C)(C)c2nc(C)cs2)cc1 ZINC000116382061 1024859353 /nfs/dbraw/zinc/85/93/53/1024859353.db2.gz GODRXKLZAXQADH-UHFFFAOYSA-N 1 1 314.454 3.879 20 30 DHEDMO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1ccc(C#N)cc1 ZINC000150872755 1024864909 /nfs/dbraw/zinc/86/49/09/1024864909.db2.gz BHUAHFNYGRUELY-CABCVRRESA-N 1 1 317.396 3.551 20 30 DHEDMO C#CCCCCCCCCC(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001274796006 1024865786 /nfs/dbraw/zinc/86/57/86/1024865786.db2.gz LTWSGZVHIWSIEZ-FQEVSTJZSA-N 1 1 318.505 3.685 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1C#N ZINC000610451889 1024901278 /nfs/dbraw/zinc/90/12/78/1024901278.db2.gz LZIYPXFMIPDTAN-SFHVURJKSA-N 1 1 319.452 3.655 20 30 DHEDMO C=CCN1c2ccccc2[C@]2(CC[N@H+](CCCCCC)C2)C1=O ZINC001275106366 1024915268 /nfs/dbraw/zinc/91/52/68/1024915268.db2.gz PCLMUPRWYGPNEY-HXUWFJFHSA-N 1 1 312.457 3.743 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@]2(CCN(C3CCCC3)C2=O)C1 ZINC001275112132 1024916446 /nfs/dbraw/zinc/91/64/46/1024916446.db2.gz ZJAKVHNVZCAKEN-IBGZPJMESA-N 1 1 306.494 3.824 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@]12CCN(C1CCCC1)C2=O ZINC001275111441 1024917480 /nfs/dbraw/zinc/91/74/80/1024917480.db2.gz MGRQPSJRZXSRQI-LJQANCHMSA-N 1 1 306.494 3.966 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1Br ZINC001203328341 1024929810 /nfs/dbraw/zinc/92/98/10/1024929810.db2.gz CVTJFEPWHUWFEK-DEZZGGKRSA-N 1 1 305.219 3.716 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1Br ZINC001203328341 1024929822 /nfs/dbraw/zinc/92/98/22/1024929822.db2.gz CVTJFEPWHUWFEK-DEZZGGKRSA-N 1 1 305.219 3.716 20 30 DHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000118850056 1024931898 /nfs/dbraw/zinc/93/18/98/1024931898.db2.gz DQKNWWCLMQVEPP-VKJFTORMSA-N 1 1 311.429 3.540 20 30 DHEDMO COc1cc(C[NH2+]Cc2c(F)cccc2Cl)ccc1C#N ZINC000353195943 1024979301 /nfs/dbraw/zinc/97/93/01/1024979301.db2.gz SMWIRLNWZQNXAU-UHFFFAOYSA-N 1 1 304.752 3.649 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc2n[nH]cc2c1 ZINC000353186906 1024980573 /nfs/dbraw/zinc/98/05/73/1024980573.db2.gz DROLXKNTHMVGMW-NSHDSACASA-N 1 1 310.788 3.939 20 30 DHEDMO C=CCCn1cc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)nn1 ZINC000653609351 1025007358 /nfs/dbraw/zinc/00/73/58/1025007358.db2.gz IPHIIDHBCHAXTM-IBGZPJMESA-N 1 1 310.445 3.875 20 30 DHEDMO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000353284504 1025012481 /nfs/dbraw/zinc/01/24/81/1025012481.db2.gz FLIFIFGOYAKEOR-GOSISDBHSA-N 1 1 322.408 3.610 20 30 DHEDMO C[N@H+](Cc1ccnn1-c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000353376011 1025042341 /nfs/dbraw/zinc/04/23/41/1025042341.db2.gz CEYDOEVYIHVMJE-UHFFFAOYSA-N 1 1 320.371 3.515 20 30 DHEDMO C[N@@H+](Cc1ccnn1-c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000353376011 1025042375 /nfs/dbraw/zinc/04/23/75/1025042375.db2.gz CEYDOEVYIHVMJE-UHFFFAOYSA-N 1 1 320.371 3.515 20 30 DHEDMO CC[C@@](C)([NH2+]Cc1ccc(C#N)cc1OC)c1nc(C)cs1 ZINC000121465849 1025096944 /nfs/dbraw/zinc/09/69/44/1025096944.db2.gz LSECQKGERMAMBL-QGZVFWFLSA-N 1 1 315.442 3.747 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@H](C)c1cc(C)nn1C)c1ccc(F)c(F)c1 ZINC000793558055 1025101424 /nfs/dbraw/zinc/10/14/24/1025101424.db2.gz QZRZPTXAUTWFJV-PXAZEXFGSA-N 1 1 305.372 3.975 20 30 DHEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000893699229 1025138420 /nfs/dbraw/zinc/13/84/20/1025138420.db2.gz IIJVIHRPPSTEDD-VXGBXAGGSA-N 1 1 316.380 3.855 20 30 DHEDMO C=C(Cl)C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000134932632 1025145412 /nfs/dbraw/zinc/14/54/12/1025145412.db2.gz HSHTVRXLZTWYOJ-SSDOTTSWSA-N 1 1 308.578 3.697 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)ccc1O ZINC000135116673 1033262275 /nfs/dbraw/zinc/26/22/75/1033262275.db2.gz RRXFZRXSTYQILJ-UHFFFAOYSA-N 1 1 324.424 3.834 20 30 DHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N(CC)C[C@H](C)C#N)cc1 ZINC000338054780 1033267374 /nfs/dbraw/zinc/26/73/74/1033267374.db2.gz NHKYTWFLGNCSGN-MRXNPFEDSA-N 1 1 315.461 3.540 20 30 DHEDMO CC[N@@H+](Cc1cccc(F)c1C#N)C[C@@H](O)c1ccc(C)cc1 ZINC000794383149 1025260274 /nfs/dbraw/zinc/26/02/74/1025260274.db2.gz MHCXBOPYXJVIGL-LJQANCHMSA-N 1 1 312.388 3.561 20 30 DHEDMO CC[N@H+](Cc1cccc(F)c1C#N)C[C@@H](O)c1ccc(C)cc1 ZINC000794383149 1025260285 /nfs/dbraw/zinc/26/02/85/1025260285.db2.gz MHCXBOPYXJVIGL-LJQANCHMSA-N 1 1 312.388 3.561 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3c3ccccc3)n2c1 ZINC000123650834 1025392208 /nfs/dbraw/zinc/39/22/08/1025392208.db2.gz JKKVLNZIXFORDK-GOSISDBHSA-N 1 1 302.381 3.543 20 30 DHEDMO C#C[C@@H](NC(=O)c1ccc(C[N@H+](CC)CCC)cc1)C(C)(C)C ZINC001129738593 1025405196 /nfs/dbraw/zinc/40/51/96/1025405196.db2.gz JEIUDYFCFAQOIV-GOSISDBHSA-N 1 1 314.473 3.696 20 30 DHEDMO CC[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885955828 1025417749 /nfs/dbraw/zinc/41/77/49/1025417749.db2.gz BZVPYGKIONIOFM-INIZCTEOSA-N 1 1 306.837 3.607 20 30 DHEDMO C=CCCCCCC[N@@H+]1CCC[C@@]12CCN(CC(C)C)C2=O ZINC001275329591 1025440645 /nfs/dbraw/zinc/44/06/45/1025440645.db2.gz ASFAEXDSFNQPTR-IBGZPJMESA-N 1 1 306.494 3.846 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886027867 1025446534 /nfs/dbraw/zinc/44/65/34/1025446534.db2.gz JZCZJQKGWVQYCA-YRPNKDGESA-N 1 1 310.441 3.716 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886027867 1025446542 /nfs/dbraw/zinc/44/65/42/1025446542.db2.gz JZCZJQKGWVQYCA-YRPNKDGESA-N 1 1 310.441 3.716 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000354555704 1025453806 /nfs/dbraw/zinc/45/38/06/1025453806.db2.gz AGZPNLSYYWTMTO-HNNXBMFYSA-N 1 1 308.491 3.770 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000354555704 1025453812 /nfs/dbraw/zinc/45/38/12/1025453812.db2.gz AGZPNLSYYWTMTO-HNNXBMFYSA-N 1 1 308.491 3.770 20 30 DHEDMO C=CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617344725 1025501373 /nfs/dbraw/zinc/50/13/73/1025501373.db2.gz OJXCDTWPMKPNNI-MSOLQXFVSA-N 1 1 314.473 3.725 20 30 DHEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172616855 1033290530 /nfs/dbraw/zinc/29/05/30/1033290530.db2.gz OMCIDZGOXPVUAT-MSOLQXFVSA-N 1 1 301.430 3.797 20 30 DHEDMO CC(C)[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H](C)c1ccccc1 ZINC000886215490 1025559822 /nfs/dbraw/zinc/55/98/22/1025559822.db2.gz KYWGWVGMCMHGTE-FUHWJXTLSA-N 1 1 300.446 3.903 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)CCC1 ZINC000886236907 1025568431 /nfs/dbraw/zinc/56/84/31/1025568431.db2.gz RFERQQUUKMKURM-WMLDXEAASA-N 1 1 320.383 3.547 20 30 DHEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000886242801 1025570598 /nfs/dbraw/zinc/57/05/98/1025570598.db2.gz DTRYPWLAPXXBLJ-QYZOEREBSA-N 1 1 312.457 3.699 20 30 DHEDMO CC(C)[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H](C)c1ccsc1 ZINC000886252303 1025571474 /nfs/dbraw/zinc/57/14/74/1025571474.db2.gz ZLNVNIVVFCDTLB-GOEBONIOSA-N 1 1 306.475 3.964 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)CCC1 ZINC000886247733 1025571711 /nfs/dbraw/zinc/57/17/11/1025571711.db2.gz ZNLGKDWQOABEHB-RTBURBONSA-N 1 1 324.468 3.701 20 30 DHEDMO CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CC[C@H](F)C2)cc1 ZINC001137899806 1025574695 /nfs/dbraw/zinc/57/46/95/1025574695.db2.gz GXXBXAHJHLYLFD-KRWDZBQOSA-N 1 1 309.388 3.870 20 30 DHEDMO CC[N@@H+](CCC1CC1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000355053785 1025594701 /nfs/dbraw/zinc/59/47/01/1025594701.db2.gz BFDSHGPLVNJHRE-GFCCVEGCSA-N 1 1 319.836 3.661 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)C1 ZINC000886355339 1025603962 /nfs/dbraw/zinc/60/39/62/1025603962.db2.gz GRPKUMDQGGOERB-CYBMUJFWSA-N 1 1 300.789 3.840 20 30 DHEDMO Cc1noc2ncc(C[N@H+](Cc3ccc(C#N)cc3)C(C)C)cc12 ZINC000893946361 1025618465 /nfs/dbraw/zinc/61/84/65/1025618465.db2.gz ZWQHYKAPGLIVIA-UHFFFAOYSA-N 1 1 320.396 3.814 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2oc(=O)oc2c1 ZINC000893952387 1025621070 /nfs/dbraw/zinc/62/10/70/1025621070.db2.gz PPPXPQUITJJOTL-UHFFFAOYSA-N 1 1 322.364 3.670 20 30 DHEDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000805750188 1025657577 /nfs/dbraw/zinc/65/75/77/1025657577.db2.gz XVBFFOCOADQIIN-KXBFYZLASA-N 1 1 307.397 3.567 20 30 DHEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805764763 1025676133 /nfs/dbraw/zinc/67/61/33/1025676133.db2.gz JVJYTSVPOVQLNO-CYBMUJFWSA-N 1 1 302.846 3.508 20 30 DHEDMO C#CC[N@H+](CCCC(=O)Nc1c(C)cccc1C)C1CCCC1 ZINC000138353775 1025715475 /nfs/dbraw/zinc/71/54/75/1025715475.db2.gz ODFDVDYAZNQQOB-UHFFFAOYSA-N 1 1 312.457 3.900 20 30 DHEDMO CC(C)c1nccn1C[C@@H]1CCC[N@H+]1CC(C)(C)CCC#N ZINC000359881506 1025725838 /nfs/dbraw/zinc/72/58/38/1025725838.db2.gz UKHDQJRSQBHUTE-INIZCTEOSA-N 1 1 302.466 3.801 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1C#N ZINC000886615332 1025739219 /nfs/dbraw/zinc/73/92/19/1025739219.db2.gz DMVBXERGZLXYST-HOCLYGCPSA-N 1 1 324.346 3.731 20 30 DHEDMO C=CC[N@@H+](Cc1cnn(C)c1C(F)(F)F)Cc1ccccc1 ZINC000132796722 1025752096 /nfs/dbraw/zinc/75/20/96/1025752096.db2.gz KBCWYBIJQXRDBP-UHFFFAOYSA-N 1 1 309.335 3.627 20 30 DHEDMO C=CC[N@H+](Cc1cnn(C)c1C(F)(F)F)Cc1ccccc1 ZINC000132796722 1025752120 /nfs/dbraw/zinc/75/21/20/1025752120.db2.gz KBCWYBIJQXRDBP-UHFFFAOYSA-N 1 1 309.335 3.627 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000133206198 1025767876 /nfs/dbraw/zinc/76/78/76/1025767876.db2.gz MRUAIVFRXSDKFB-INIZCTEOSA-N 1 1 323.444 3.939 20 30 DHEDMO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)n1 ZINC000614160651 1025783373 /nfs/dbraw/zinc/78/33/73/1025783373.db2.gz SLIYKTKJCOPBFW-INIZCTEOSA-N 1 1 324.428 3.559 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000614166119 1025785523 /nfs/dbraw/zinc/78/55/23/1025785523.db2.gz WXKAPLYSUVCPHE-GOSISDBHSA-N 1 1 308.429 3.521 20 30 DHEDMO N#CCCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134467680 1025806821 /nfs/dbraw/zinc/80/68/21/1025806821.db2.gz KEEIWBJPUXVGOU-SNVBAGLBSA-N 1 1 303.353 3.645 20 30 DHEDMO C=CCCCN(CC)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000894105526 1025841010 /nfs/dbraw/zinc/84/10/10/1025841010.db2.gz CHBAPYULOBMUSK-SJORKVTESA-N 1 1 321.509 3.637 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000056267414 1025889723 /nfs/dbraw/zinc/88/97/23/1025889723.db2.gz ROYXDFUWMICMSK-UHFFFAOYSA-N 1 1 312.413 3.608 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCC[C@@H](C)C2)c1C#N ZINC000614210000 1025892062 /nfs/dbraw/zinc/89/20/62/1025892062.db2.gz FVBGJURIPWFTGZ-OAHLLOKOSA-N 1 1 308.429 3.674 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CCCc2cccnc21 ZINC000614217128 1025919961 /nfs/dbraw/zinc/91/99/61/1025919961.db2.gz IHTVHMKXEAIUOK-IBGZPJMESA-N 1 1 320.440 3.884 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000614222690 1025953413 /nfs/dbraw/zinc/95/34/13/1025953413.db2.gz ZFRQWUPDZPKIBK-UHFFFAOYSA-N 1 1 312.457 3.880 20 30 DHEDMO CCC[N@@H+](Cc1cn2ccccc2n1)Cc1ccc(C#N)cc1 ZINC000079871947 1025966988 /nfs/dbraw/zinc/96/69/88/1025966988.db2.gz WIQBIEWHKKHGDS-UHFFFAOYSA-N 1 1 304.397 3.618 20 30 DHEDMO C=CCCC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089902990 1026071902 /nfs/dbraw/zinc/07/19/02/1026071902.db2.gz SGOZBCVJHITAGA-UHFFFAOYSA-N 1 1 301.346 3.648 20 30 DHEDMO C=CCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000807573071 1026085148 /nfs/dbraw/zinc/08/51/48/1026085148.db2.gz ZRNMYNMPCOMTFR-DLBZAZTESA-N 1 1 309.498 3.637 20 30 DHEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)[C@@H]1CCOC(C)(C)C1 ZINC000289849324 1026196984 /nfs/dbraw/zinc/19/69/84/1026196984.db2.gz PQSYSYPNXJZFJO-QGZVFWFLSA-N 1 1 316.445 3.607 20 30 DHEDMO CCCC[N@@H+](CCC(=O)N(C)CCC#N)[C@H](C)c1ccccc1 ZINC000357010203 1026273678 /nfs/dbraw/zinc/27/36/78/1026273678.db2.gz WSLABVULUSSXFB-QGZVFWFLSA-N 1 1 315.461 3.612 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000614400951 1026301423 /nfs/dbraw/zinc/30/14/23/1026301423.db2.gz PYKSGLSUPBTUOQ-GOSISDBHSA-N 1 1 306.409 3.865 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2OC)cc1 ZINC000120565708 1026317174 /nfs/dbraw/zinc/31/71/74/1026317174.db2.gz GLGNCJYLOKDWML-LJQANCHMSA-N 1 1 322.408 3.913 20 30 DHEDMO C[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H](C)[C@H]1C ZINC000419391703 1026350646 /nfs/dbraw/zinc/35/06/46/1026350646.db2.gz KCDXQGBJABBCHQ-PMPSAXMXSA-N 1 1 323.440 3.714 20 30 DHEDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)c1 ZINC000182550068 1026514812 /nfs/dbraw/zinc/51/48/12/1026514812.db2.gz VCYIFPIGBQPSRD-GFCCVEGCSA-N 1 1 311.360 3.507 20 30 DHEDMO CC(C)(C)C1=CC[N@@H+](CCNc2snc(Cl)c2C#N)CC1 ZINC000809338849 1026514964 /nfs/dbraw/zinc/51/49/64/1026514964.db2.gz MCHHDPVENPMKBQ-UHFFFAOYSA-N 1 1 324.881 3.758 20 30 DHEDMO C#Cc1ccc(CNC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000809612243 1026563828 /nfs/dbraw/zinc/56/38/28/1026563828.db2.gz YFPWERTVAYRVFX-UHFFFAOYSA-N 1 1 310.485 3.802 20 30 DHEDMO Cc1ccc(NC(=[NH2+])NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000104155630 1026596174 /nfs/dbraw/zinc/59/61/74/1026596174.db2.gz RWCBYGQEASKZKG-IBGZPJMESA-N 1 1 322.456 3.559 20 30 DHEDMO CCC[N@@H+](CCc1ccccn1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809734286 1026597295 /nfs/dbraw/zinc/59/72/95/1026597295.db2.gz CWVHWKUUHKMUHI-KRWDZBQOSA-N 1 1 323.440 3.827 20 30 DHEDMO C#CC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccccc1 ZINC000809717119 1026603144 /nfs/dbraw/zinc/60/31/44/1026603144.db2.gz XQDJTEURIOZZQP-UHFFFAOYSA-N 1 1 319.383 3.851 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1C ZINC000809717265 1026604288 /nfs/dbraw/zinc/60/42/88/1026604288.db2.gz YSAAZSDVQWTVIZ-UHFFFAOYSA-N 1 1 309.409 3.648 20 30 DHEDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809765105 1026620690 /nfs/dbraw/zinc/62/06/90/1026620690.db2.gz LBLWEHSEXOVBLA-DNVCBOLYSA-N 1 1 309.413 3.956 20 30 DHEDMO C=CCC[C@@H](C(=O)O[C@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000810613969 1026807621 /nfs/dbraw/zinc/80/76/21/1026807621.db2.gz BZUHMYNJXXBMRD-CRAIPNDOSA-N 1 1 312.413 3.873 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)OC2(CC#N)CCC2)cc1)C(C)C ZINC000810858435 1026878073 /nfs/dbraw/zinc/87/80/73/1026878073.db2.gz XHUSQNPOGAQMAR-UHFFFAOYSA-N 1 1 314.429 3.910 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)ccc1F ZINC000420950017 1026891022 /nfs/dbraw/zinc/89/10/22/1026891022.db2.gz PIGWGHLQESOUGP-GFCCVEGCSA-N 1 1 300.299 3.862 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000414484158 1026902281 /nfs/dbraw/zinc/90/22/81/1026902281.db2.gz JEEABPUJGWAEQI-UYAOXDASSA-N 1 1 309.409 3.559 20 30 DHEDMO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CCCC(C)(C)C#N)C1 ZINC000421017339 1026917588 /nfs/dbraw/zinc/91/75/88/1026917588.db2.gz LWCZZNDLFAOXTL-LSDHHAIUSA-N 1 1 308.466 3.616 20 30 DHEDMO N#Cc1ccc(CNC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1F ZINC000421331386 1026955667 /nfs/dbraw/zinc/95/56/67/1026955667.db2.gz JPRMHMYBNIIWEY-FQEVSTJZSA-N 1 1 323.415 3.624 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@]2(C)Cc2ccc(F)cc2)cc1C#N ZINC000421362647 1026963761 /nfs/dbraw/zinc/96/37/61/1026963761.db2.gz NVPXMHJIWXTSKV-LJQANCHMSA-N 1 1 311.404 3.633 20 30 DHEDMO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CC(C)(C)CCC#N)C1 ZINC000421374373 1026970759 /nfs/dbraw/zinc/97/07/59/1026970759.db2.gz FPPUDLZJAGHVEC-LSDHHAIUSA-N 1 1 308.466 3.616 20 30 DHEDMO C=CCCc1ccccc1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000811495546 1027011502 /nfs/dbraw/zinc/01/15/02/1027011502.db2.gz DSLZDCYWKWUYFI-IBGZPJMESA-N 1 1 318.436 3.956 20 30 DHEDMO C[C@@H]1C(N=Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000811637075 1027045554 /nfs/dbraw/zinc/04/55/54/1027045554.db2.gz QIMCSEGPKSKVHJ-OAHLLOKOSA-N 1 1 304.397 3.621 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c(O)c(OC)c1 ZINC000811779615 1027082539 /nfs/dbraw/zinc/08/25/39/1027082539.db2.gz IRJKNWQMSWSFRY-GFCCVEGCSA-N 1 1 311.372 3.606 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c(O)c(OC)c1 ZINC000811779616 1027083072 /nfs/dbraw/zinc/08/30/72/1027083072.db2.gz IRJKNWQMSWSFRY-LBPRGKRZSA-N 1 1 311.372 3.606 20 30 DHEDMO Clc1ccc(C#CC[N@@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000571126161 1027103170 /nfs/dbraw/zinc/10/31/70/1027103170.db2.gz SLGWGCHLTLYLJV-UHFFFAOYSA-N 1 1 308.812 3.876 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000571126161 1027103174 /nfs/dbraw/zinc/10/31/74/1027103174.db2.gz SLGWGCHLTLYLJV-UHFFFAOYSA-N 1 1 308.812 3.876 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000561960534 1027144472 /nfs/dbraw/zinc/14/44/72/1027144472.db2.gz ASXGGRGUXLNMOW-HOCLYGCPSA-N 1 1 320.502 3.944 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000561960534 1027144479 /nfs/dbraw/zinc/14/44/79/1027144479.db2.gz ASXGGRGUXLNMOW-HOCLYGCPSA-N 1 1 320.502 3.944 20 30 DHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CCOc2ccc(C#N)cc2)C1 ZINC000362383743 1027172485 /nfs/dbraw/zinc/17/24/85/1027172485.db2.gz AHAOMWULHSGSTI-WBVHZDCISA-N 1 1 304.459 3.543 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)ccc1C#N ZINC000562047684 1027198222 /nfs/dbraw/zinc/19/82/22/1027198222.db2.gz YZHHMRJQTNXRJI-OAQYLSRUSA-N 1 1 318.420 3.836 20 30 DHEDMO CC(C)OCCON=C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000812238865 1027218885 /nfs/dbraw/zinc/21/88/85/1027218885.db2.gz GNYKCSSYGGPCRL-UHFFFAOYSA-N 1 1 324.852 3.733 20 30 DHEDMO CCC1([NH+]2CCC2)CCN(CCCCC2(C#N)CCC2)CC1 ZINC000931753353 1027247723 /nfs/dbraw/zinc/24/77/23/1027247723.db2.gz XCJPOCKIUIORPA-UHFFFAOYSA-N 1 1 303.494 3.801 20 30 DHEDMO C=C[C@H](CC)CC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000932072265 1027357191 /nfs/dbraw/zinc/35/71/91/1027357191.db2.gz CMHYOGHBMFVBJL-HZPDHXFCSA-N 1 1 316.445 3.621 20 30 DHEDMO Cn1ccc([C@@H]2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)n1 ZINC000932135631 1027378493 /nfs/dbraw/zinc/37/84/93/1027378493.db2.gz DOMBBZIUHHHFCQ-QGZVFWFLSA-N 1 1 322.456 3.601 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)c(F)c1 ZINC000932202279 1027410466 /nfs/dbraw/zinc/41/04/66/1027410466.db2.gz IJTHYYMXEBTIDO-CQSZACIVSA-N 1 1 315.417 3.609 20 30 DHEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812852273 1027449391 /nfs/dbraw/zinc/44/93/91/1027449391.db2.gz FGMSIDMWRNGDTN-IFXJQAMLSA-N 1 1 312.388 3.641 20 30 DHEDMO C#CC[N@H+](CCCC(=O)Nc1c(C)cc(C)cc1C)C(C)C ZINC000932388845 1027475701 /nfs/dbraw/zinc/47/57/01/1027475701.db2.gz XUHMCRSAAYYPOI-UHFFFAOYSA-N 1 1 300.446 3.674 20 30 DHEDMO C[N@@H+](CCCCC#N)Cc1cnn(-c2cccc(Cl)c2)c1 ZINC000363199956 1027557233 /nfs/dbraw/zinc/55/72/33/1027557233.db2.gz BTLJVCLXBLYPHK-UHFFFAOYSA-N 1 1 302.809 3.651 20 30 DHEDMO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000932701710 1027590748 /nfs/dbraw/zinc/59/07/48/1027590748.db2.gz YUBGUGNQZSELHL-OAHLLOKOSA-N 1 1 323.481 3.553 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2cnc(N3CCCC3)nc2)CCCC1(C)C ZINC000576425912 1027613543 /nfs/dbraw/zinc/61/35/43/1027613543.db2.gz QBAITHVFOZDTMX-QGZVFWFLSA-N 1 1 314.477 3.644 20 30 DHEDMO CC1(C)C[C@@H](c2ccccc2)C[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000932898245 1027645189 /nfs/dbraw/zinc/64/51/89/1027645189.db2.gz JRRRKJQFRQPNQM-MSOLQXFVSA-N 1 1 312.457 3.699 20 30 DHEDMO Cc1cc([C@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)[nH]n1 ZINC000363500917 1027655796 /nfs/dbraw/zinc/65/57/96/1027655796.db2.gz SCAVVFBHKUBKSA-INIZCTEOSA-N 1 1 313.832 3.603 20 30 DHEDMO Cc1cc([C@H]2CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)n[nH]1 ZINC000363500917 1027655801 /nfs/dbraw/zinc/65/58/01/1027655801.db2.gz SCAVVFBHKUBKSA-INIZCTEOSA-N 1 1 313.832 3.603 20 30 DHEDMO Cc1cc([C@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)n[nH]1 ZINC000363500917 1027655812 /nfs/dbraw/zinc/65/58/12/1027655812.db2.gz SCAVVFBHKUBKSA-INIZCTEOSA-N 1 1 313.832 3.603 20 30 DHEDMO Cc1csc(C[C@@H]2CC[N@@H+](CC3CCC(C#N)CC3)C2)n1 ZINC000933126871 1027681456 /nfs/dbraw/zinc/68/14/56/1027681456.db2.gz SQKUFBBLAWRJHO-GPANFISMSA-N 1 1 303.475 3.646 20 30 DHEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000933456796 1027740077 /nfs/dbraw/zinc/74/00/77/1027740077.db2.gz NNDYJVXQVSLOHX-RKVPGOIHSA-N 1 1 320.502 3.850 20 30 DHEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@]3(CCN(C)C3=O)CC2)CC1 ZINC001275856921 1027748137 /nfs/dbraw/zinc/74/81/37/1027748137.db2.gz NSNZQFSIUYRSTC-QUCCMNQESA-N 1 1 316.489 3.623 20 30 DHEDMO CCc1nc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cs1 ZINC000933613563 1027778204 /nfs/dbraw/zinc/77/82/04/1027778204.db2.gz BRSNTCJWMJKPJV-UHFFFAOYSA-N 1 1 311.454 3.957 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)CCO2)cc1 ZINC000933631841 1027780073 /nfs/dbraw/zinc/78/00/73/1027780073.db2.gz MAGZWLRGPSUFJC-FQEVSTJZSA-N 1 1 317.392 3.613 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)CCO2)cc1 ZINC000933631841 1027780092 /nfs/dbraw/zinc/78/00/92/1027780092.db2.gz MAGZWLRGPSUFJC-FQEVSTJZSA-N 1 1 317.392 3.613 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933629407 1027780526 /nfs/dbraw/zinc/78/05/26/1027780526.db2.gz PEUZJLSRRINOKQ-QRWLVFNGSA-N 1 1 317.392 3.564 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933629407 1027780544 /nfs/dbraw/zinc/78/05/44/1027780544.db2.gz PEUZJLSRRINOKQ-QRWLVFNGSA-N 1 1 317.392 3.564 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@H+]([C@H]3CCc4ccc(F)cc43)CCO2)cc1 ZINC000933627392 1027782878 /nfs/dbraw/zinc/78/28/78/1027782878.db2.gz KNYKVXLJVTXKQK-VQTJNVASSA-N 1 1 322.383 3.758 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@@H+]([C@H]3CCc4ccc(F)cc43)CCO2)cc1 ZINC000933627392 1027782912 /nfs/dbraw/zinc/78/29/12/1027782912.db2.gz KNYKVXLJVTXKQK-VQTJNVASSA-N 1 1 322.383 3.758 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC000814171439 1027907766 /nfs/dbraw/zinc/90/77/66/1027907766.db2.gz OTYLMKMZYLSGPI-LJQANCHMSA-N 1 1 306.409 3.677 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC000814171439 1027907779 /nfs/dbraw/zinc/90/77/79/1027907779.db2.gz OTYLMKMZYLSGPI-LJQANCHMSA-N 1 1 306.409 3.677 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000778230259 1027933235 /nfs/dbraw/zinc/93/32/35/1027933235.db2.gz FRVICPJMILGLFW-MRXNPFEDSA-N 1 1 315.461 3.512 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000779031692 1027936713 /nfs/dbraw/zinc/93/67/13/1027936713.db2.gz FQOPLHKORBBTOI-ZWKOTPCHSA-N 1 1 310.372 3.803 20 30 DHEDMO C[C@@H](c1c(F)cccc1F)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000577877110 1027971638 /nfs/dbraw/zinc/97/16/38/1027971638.db2.gz SKHKSGBGNWKZOM-ZDUSSCGKSA-N 1 1 316.351 3.908 20 30 DHEDMO C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000577877110 1027971647 /nfs/dbraw/zinc/97/16/47/1027971647.db2.gz SKHKSGBGNWKZOM-ZDUSSCGKSA-N 1 1 316.351 3.908 20 30 DHEDMO CC(C)(C#N)CCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000365598210 1027976864 /nfs/dbraw/zinc/97/68/64/1027976864.db2.gz KQAATSIBIZYPBE-AEFFLSMTSA-N 1 1 303.494 3.655 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000365598210 1027976873 /nfs/dbraw/zinc/97/68/73/1027976873.db2.gz KQAATSIBIZYPBE-AEFFLSMTSA-N 1 1 303.494 3.655 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000365598210 1027976885 /nfs/dbraw/zinc/97/68/85/1027976885.db2.gz KQAATSIBIZYPBE-AEFFLSMTSA-N 1 1 303.494 3.655 20 30 DHEDMO CC(C)(C#N)CCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000365598210 1027976896 /nfs/dbraw/zinc/97/68/96/1027976896.db2.gz KQAATSIBIZYPBE-AEFFLSMTSA-N 1 1 303.494 3.655 20 30 DHEDMO CC(C)(C#N)CCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000365598210 1027976911 /nfs/dbraw/zinc/97/69/11/1027976911.db2.gz KQAATSIBIZYPBE-AEFFLSMTSA-N 1 1 303.494 3.655 20 30 DHEDMO CC[C@H](C)[C@H](C)[N@@H+](CCOc1ccc(C#N)cc1OC)C1CC1 ZINC000577906334 1027983738 /nfs/dbraw/zinc/98/37/38/1027983738.db2.gz HBYRDDSOEGWQBV-GJZGRUSLSA-N 1 1 316.445 3.845 20 30 DHEDMO Cc1nnc([C@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000578000263 1028011373 /nfs/dbraw/zinc/01/13/73/1028011373.db2.gz WTXFOLMWUBGCTR-MEDUHNTESA-N 1 1 312.442 3.837 20 30 DHEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1cnn(CC2CCC2)c1 ZINC000934561198 1028040140 /nfs/dbraw/zinc/04/01/40/1028040140.db2.gz CPDNNQYQEFYTPJ-CYBMUJFWSA-N 1 1 312.392 3.545 20 30 DHEDMO C=C(C)c1cccc(NC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000934887845 1028144393 /nfs/dbraw/zinc/14/43/93/1028144393.db2.gz SYAQNCFXKLGEFP-HNNXBMFYSA-N 1 1 315.461 3.962 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000934887341 1028144854 /nfs/dbraw/zinc/14/48/54/1028144854.db2.gz SEANOZMGWQOZEC-QGZVFWFLSA-N 1 1 301.434 3.666 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814674941 1028146736 /nfs/dbraw/zinc/14/67/36/1028146736.db2.gz ZFUASAWMNZOMNW-HZPDHXFCSA-N 1 1 308.466 3.532 20 30 DHEDMO C=CCCC[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814677538 1028148636 /nfs/dbraw/zinc/14/86/36/1028148636.db2.gz AHCRSEFARGEGIQ-IYBDPMFKSA-N 1 1 308.466 3.532 20 30 DHEDMO CC[C@@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000578712865 1028222427 /nfs/dbraw/zinc/22/24/27/1028222427.db2.gz NAUZLOOKYQWGOM-QZTJIDSGSA-N 1 1 301.478 3.965 20 30 DHEDMO Cc1cc(N=NC2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)nc(C)n1 ZINC000814807442 1028231578 /nfs/dbraw/zinc/23/15/78/1028231578.db2.gz WBJKPPOKIFHYKZ-OAHLLOKOSA-N 1 1 323.444 3.546 20 30 DHEDMO C[C@H]1CCC[C@@H](C[N@@H+](C)CCOCc2ccc(C#N)cc2)C1 ZINC001170769365 1028247198 /nfs/dbraw/zinc/24/71/98/1028247198.db2.gz PTLQTHAWDNBFHW-QFBILLFUSA-N 1 1 300.446 3.833 20 30 DHEDMO CC(N=Nc1ccc(Cl)nc1)c1cccc(C[NH+](C)C)c1 ZINC000814859415 1028247609 /nfs/dbraw/zinc/24/76/09/1028247609.db2.gz TVGWALASOCWHDF-UHFFFAOYSA-N 1 1 302.809 3.633 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc2c(c1)OCCCCO2 ZINC000449011426 1028263325 /nfs/dbraw/zinc/26/33/25/1028263325.db2.gz QHSKNQMHOBGIPZ-UHFFFAOYSA-N 1 1 322.408 3.742 20 30 DHEDMO C=CCCCCC[N@H+](C)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449028109 1028266825 /nfs/dbraw/zinc/26/68/25/1028266825.db2.gz KRSNAARRNILORT-INIZCTEOSA-N 1 1 323.502 3.872 20 30 DHEDMO CCC(=[NH+]NCc1ccc(C#N)cc1)c1ccc(Cl)c(N)c1 ZINC000814882733 1028278345 /nfs/dbraw/zinc/27/83/45/1028278345.db2.gz NJVPDYOQBNNVJS-UHFFFAOYSA-N 1 1 312.804 3.698 20 30 DHEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000368021860 1028279956 /nfs/dbraw/zinc/27/99/56/1028279956.db2.gz OELABUKSUIHRTJ-SJLPKXTDSA-N 1 1 322.399 3.571 20 30 DHEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000368021860 1028279968 /nfs/dbraw/zinc/27/99/68/1028279968.db2.gz OELABUKSUIHRTJ-SJLPKXTDSA-N 1 1 322.399 3.571 20 30 DHEDMO C[C@@H](CC#N)[N@H+](C)Cc1ccnc2c(Br)cccc12 ZINC000449022109 1028293237 /nfs/dbraw/zinc/29/32/37/1028293237.db2.gz GTWXPEKSPAUXJF-NSHDSACASA-N 1 1 318.218 3.731 20 30 DHEDMO C[C@@H](CC#N)[N@@H+](C)Cc1ccnc2c(Br)cccc12 ZINC000449022109 1028293252 /nfs/dbraw/zinc/29/32/52/1028293252.db2.gz GTWXPEKSPAUXJF-NSHDSACASA-N 1 1 318.218 3.731 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC000579137642 1028333243 /nfs/dbraw/zinc/33/32/43/1028333243.db2.gz HBRXZYPOEAMNJX-QCSYZSNVSA-N 1 1 318.486 3.771 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2CCCSCC#N)cc1C ZINC000368339107 1028338813 /nfs/dbraw/zinc/33/88/13/1028338813.db2.gz JIIAJLOGTMBWLM-MRXNPFEDSA-N 1 1 304.459 3.787 20 30 DHEDMO CCCCCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000935623991 1028339244 /nfs/dbraw/zinc/33/92/44/1028339244.db2.gz IZWINSAAMXYAQY-SFHVURJKSA-N 1 1 302.462 3.738 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)n1 ZINC000368422183 1028352413 /nfs/dbraw/zinc/35/24/13/1028352413.db2.gz LPDHSIAELDOLBR-VQTJNVASSA-N 1 1 305.425 3.970 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)n1 ZINC000368422183 1028352431 /nfs/dbraw/zinc/35/24/31/1028352431.db2.gz LPDHSIAELDOLBR-VQTJNVASSA-N 1 1 305.425 3.970 20 30 DHEDMO Cc1csc(N2CCC[N@@H+](CCCCC(C)(C)C#N)CC2)n1 ZINC000368438633 1028355096 /nfs/dbraw/zinc/35/50/96/1028355096.db2.gz MKEMBMINYGJNBR-UHFFFAOYSA-N 1 1 320.506 3.684 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)nc1 ZINC000564220892 1028365433 /nfs/dbraw/zinc/36/54/33/1028365433.db2.gz QSNJBOPBWUHGEY-CQSZACIVSA-N 1 1 309.335 3.508 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)nc1 ZINC000564220892 1028365452 /nfs/dbraw/zinc/36/54/52/1028365452.db2.gz QSNJBOPBWUHGEY-CQSZACIVSA-N 1 1 309.335 3.508 20 30 DHEDMO C#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000368578175 1028378816 /nfs/dbraw/zinc/37/88/16/1028378816.db2.gz KOVPGSFVHZILTC-PKOBYXMFSA-N 1 1 310.466 3.512 20 30 DHEDMO C#Cc1ccc(C[NH2+]C[C@@H]2CCN(C)[C@H]2c2cccs2)cc1 ZINC000368578175 1028378833 /nfs/dbraw/zinc/37/88/33/1028378833.db2.gz KOVPGSFVHZILTC-PKOBYXMFSA-N 1 1 310.466 3.512 20 30 DHEDMO C=CCC[N@@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815203211 1028427863 /nfs/dbraw/zinc/42/78/63/1028427863.db2.gz UXYKWUQQNKFKDY-CVEARBPZSA-N 1 1 308.466 3.674 20 30 DHEDMO N#CC1(c2ccccn2)CC[NH+](Cc2ccccc2Cl)CC1 ZINC000369205736 1028458702 /nfs/dbraw/zinc/45/87/02/1028458702.db2.gz KTFVSOCMNWKNAQ-UHFFFAOYSA-N 1 1 311.816 3.792 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@@H](c2n[nH]cc2NC(C)=O)C1 ZINC000369827237 1028536459 /nfs/dbraw/zinc/53/64/59/1028536459.db2.gz DYILZUCGFLALKD-MRXNPFEDSA-N 1 1 320.481 3.908 20 30 DHEDMO COc1cc(C)ccc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000449328713 1028538626 /nfs/dbraw/zinc/53/86/26/1028538626.db2.gz KUCMJKNGQQSYOK-UHFFFAOYSA-N 1 1 324.424 3.524 20 30 DHEDMO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1F ZINC000565159351 1028547916 /nfs/dbraw/zinc/54/79/16/1028547916.db2.gz XCCVNMJUCZXIDQ-KRWDZBQOSA-N 1 1 301.340 3.718 20 30 DHEDMO CC(C)c1nccn1[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000369997979 1028551981 /nfs/dbraw/zinc/55/19/81/1028551981.db2.gz QDYWSKOIJMISTD-MRXNPFEDSA-N 1 1 302.466 3.973 20 30 DHEDMO C=CCCCC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000370067529 1028561988 /nfs/dbraw/zinc/56/19/88/1028561988.db2.gz ZKEDGZOXXLUEIT-YJBOKZPZSA-N 1 1 320.864 3.805 20 30 DHEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2c(F)cc(F)cc2F)cc1 ZINC000815649176 1028594852 /nfs/dbraw/zinc/59/48/52/1028594852.db2.gz JBHSUXGJOJWBRF-GFCCVEGCSA-N 1 1 319.326 3.967 20 30 DHEDMO CC(C)[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000528639880 1028608264 /nfs/dbraw/zinc/60/82/64/1028608264.db2.gz MZVWQYQJDXCIHW-AABGKKOBSA-N 1 1 311.473 3.521 20 30 DHEDMO CC(C)[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000528639880 1028608275 /nfs/dbraw/zinc/60/82/75/1028608275.db2.gz MZVWQYQJDXCIHW-AABGKKOBSA-N 1 1 311.473 3.521 20 30 DHEDMO CC(C)[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000528639880 1028608286 /nfs/dbraw/zinc/60/82/86/1028608286.db2.gz MZVWQYQJDXCIHW-AABGKKOBSA-N 1 1 311.473 3.521 20 30 DHEDMO N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@H](F)C3)c2)c1 ZINC000449390250 1028608783 /nfs/dbraw/zinc/60/87/83/1028608783.db2.gz VNRFPMYUHPWNBI-SFHVURJKSA-N 1 1 310.372 3.681 20 30 DHEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@H](F)C3)c2)c1 ZINC000449390250 1028608790 /nfs/dbraw/zinc/60/87/90/1028608790.db2.gz VNRFPMYUHPWNBI-SFHVURJKSA-N 1 1 310.372 3.681 20 30 DHEDMO CS[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000449444436 1028644250 /nfs/dbraw/zinc/64/42/50/1028644250.db2.gz AGGIONUSXGDCLE-LBPRGKRZSA-N 1 1 300.349 3.514 20 30 DHEDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000371478688 1028721849 /nfs/dbraw/zinc/72/18/49/1028721849.db2.gz YUSKNSZRFOTFSB-OALUTQOASA-N 1 1 322.408 3.673 20 30 DHEDMO C=C(Cl)C[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000217851183 1028747321 /nfs/dbraw/zinc/74/73/21/1028747321.db2.gz LRDZIWHRCGIWPQ-UHFFFAOYSA-N 1 1 322.836 3.826 20 30 DHEDMO CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000528768873 1028786780 /nfs/dbraw/zinc/78/67/80/1028786780.db2.gz DMQKPORMZUZZHW-GOSISDBHSA-N 1 1 309.388 3.860 20 30 DHEDMO COc1cccc(C2CC[NH+](Cc3ccc(C#N)o3)CC2)c1F ZINC000372413887 1028849458 /nfs/dbraw/zinc/84/94/58/1028849458.db2.gz YKIBPORBMRDAET-UHFFFAOYSA-N 1 1 314.360 3.679 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cn1cnc2cc(F)c(F)cc21 ZINC000778586072 1028877742 /nfs/dbraw/zinc/87/77/42/1028877742.db2.gz ZAAUAQQMNDRZRB-UHFFFAOYSA-N 1 1 317.339 3.596 20 30 DHEDMO C=CCC1(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCCC1 ZINC000449651425 1028880112 /nfs/dbraw/zinc/88/01/12/1028880112.db2.gz NTYOYRPYDWCNSU-KRWDZBQOSA-N 1 1 306.494 3.894 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H]2CCOC[C@H]2C)cc1 ZINC001170831258 1028933660 /nfs/dbraw/zinc/93/36/60/1028933660.db2.gz MASAUEVZUWRVIF-AYOQOUSVSA-N 1 1 300.446 3.846 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000567790400 1028952673 /nfs/dbraw/zinc/95/26/73/1028952673.db2.gz ZUOOMLNFBQSWBE-SJLPKXTDSA-N 1 1 303.833 3.583 20 30 DHEDMO C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)CC(C)(C)C#N ZINC000816632657 1028982680 /nfs/dbraw/zinc/98/26/80/1028982680.db2.gz SQAJKRAJHJPURL-UHFFFAOYSA-N 1 1 324.424 3.953 20 30 DHEDMO C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)CC(C)(C)C#N ZINC000816632657 1028982693 /nfs/dbraw/zinc/98/26/93/1028982693.db2.gz SQAJKRAJHJPURL-UHFFFAOYSA-N 1 1 324.424 3.953 20 30 DHEDMO CCCCCCCCCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000779331127 1029097087 /nfs/dbraw/zinc/09/70/87/1029097087.db2.gz SJRSCFSUBNVTJR-ROUUACIJSA-N 1 1 323.525 3.863 20 30 DHEDMO N#CC1(CC[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)CCCCC1 ZINC000411410177 1029122515 /nfs/dbraw/zinc/12/25/15/1029122515.db2.gz RPKLFRGXCJZKEN-IAGOWNOFSA-N 1 1 322.518 3.837 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCCC[C@H]1C ZINC000411606985 1029167656 /nfs/dbraw/zinc/16/76/56/1029167656.db2.gz CKYCJZFHUGIHCP-CRAIPNDOSA-N 1 1 313.445 3.787 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCCC[C@@H]1C ZINC000411606986 1029168311 /nfs/dbraw/zinc/16/83/11/1029168311.db2.gz CKYCJZFHUGIHCP-MAUKXSAKSA-N 1 1 313.445 3.787 20 30 DHEDMO CC1(C)C[N@@H+](CCC2(C#N)CCCCC2)C[C@@]2(CCCOC2)O1 ZINC000411662466 1029180125 /nfs/dbraw/zinc/18/01/25/1029180125.db2.gz NYHFLVDNLXYWTA-LJQANCHMSA-N 1 1 320.477 3.511 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411716234 1029188405 /nfs/dbraw/zinc/18/84/05/1029188405.db2.gz FOJJHOLYHMPICN-OALUTQOASA-N 1 1 315.388 3.845 20 30 DHEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CCCCC1 ZINC000628966322 1029201638 /nfs/dbraw/zinc/20/16/38/1029201638.db2.gz OMQFOVZNHYACID-QGZVFWFLSA-N 1 1 304.478 3.646 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000411926000 1029246916 /nfs/dbraw/zinc/24/69/16/1029246916.db2.gz OLXHZWSUUACMQV-FUHWJXTLSA-N 1 1 312.800 3.520 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000411926000 1029246928 /nfs/dbraw/zinc/24/69/28/1029246928.db2.gz OLXHZWSUUACMQV-FUHWJXTLSA-N 1 1 312.800 3.520 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000411926001 1029248486 /nfs/dbraw/zinc/24/84/86/1029248486.db2.gz OLXHZWSUUACMQV-SJLPKXTDSA-N 1 1 312.800 3.520 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000411926001 1029248502 /nfs/dbraw/zinc/24/85/02/1029248502.db2.gz OLXHZWSUUACMQV-SJLPKXTDSA-N 1 1 312.800 3.520 20 30 DHEDMO C=CC(C)(C)C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000450209538 1029259362 /nfs/dbraw/zinc/25/93/62/1029259362.db2.gz WSKFLZKDYAKBPS-SJLPKXTDSA-N 1 1 314.473 3.616 20 30 DHEDMO COc1ccc2c(c1)[C@H](C)C[N@H+](CC(C)(C)CCC#N)CC2 ZINC000374275098 1029268624 /nfs/dbraw/zinc/26/86/24/1029268624.db2.gz SGGITLUVNPLRFC-OAHLLOKOSA-N 1 1 300.446 3.987 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000817948047 1029290341 /nfs/dbraw/zinc/29/03/41/1029290341.db2.gz SUHDYOOLVSQAQL-ZMSDIMECSA-N 1 1 322.880 3.857 20 30 DHEDMO Cn1cc(C[N@H+](Cc2ccccc2Cl)CC2CC2)cc1C#N ZINC000569954549 1029292102 /nfs/dbraw/zinc/29/21/02/1029292102.db2.gz ROISMAOAVDONCD-UHFFFAOYSA-N 1 1 313.832 3.962 20 30 DHEDMO Cn1cc([C@H]2C[N@@H+](CCCCC(C)(C)C#N)CC2(C)C)cn1 ZINC000570056776 1029307985 /nfs/dbraw/zinc/30/79/85/1029307985.db2.gz LZDPHVDCSLRPTK-MRXNPFEDSA-N 1 1 302.466 3.566 20 30 DHEDMO C[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570282867 1029344686 /nfs/dbraw/zinc/34/46/86/1029344686.db2.gz HTXQBIXNEDWSOD-ZDUSSCGKSA-N 1 1 307.353 3.586 20 30 DHEDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570282867 1029344704 /nfs/dbraw/zinc/34/47/04/1029344704.db2.gz HTXQBIXNEDWSOD-ZDUSSCGKSA-N 1 1 307.353 3.586 20 30 DHEDMO CCc1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC000570360928 1029355440 /nfs/dbraw/zinc/35/54/40/1029355440.db2.gz DQSDCUDGVWDWSW-UHFFFAOYSA-N 1 1 308.425 3.769 20 30 DHEDMO C=C[C@H](CC(=O)N[C@H](C)C[N@H+](CC)CCC)c1ccccc1 ZINC000570866449 1029433112 /nfs/dbraw/zinc/43/31/12/1029433112.db2.gz AYSZSEAZMMQLKV-IAGOWNOFSA-N 1 1 302.462 3.583 20 30 DHEDMO CN(c1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1)C1CCCCC1 ZINC000818980608 1029445644 /nfs/dbraw/zinc/44/56/44/1029445644.db2.gz MPAFRFYNLPZBCN-SFHVURJKSA-N 1 1 324.472 3.989 20 30 DHEDMO CC[N@@H+](CCNc1cccc(Cl)c1C#N)CCC(F)(F)F ZINC000450492099 1029512749 /nfs/dbraw/zinc/51/27/49/1029512749.db2.gz ZFWQZMVOLUFERH-UHFFFAOYSA-N 1 1 319.758 3.898 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000121126320 1029527957 /nfs/dbraw/zinc/52/79/57/1029527957.db2.gz CZXOYQIQKXSHIJ-UHFFFAOYSA-N 1 1 312.413 3.711 20 30 DHEDMO N#CC1(CN2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000450499188 1029529778 /nfs/dbraw/zinc/52/97/78/1029529778.db2.gz IGXXNLSQLRIHND-VQTJNVASSA-N 1 1 323.484 3.667 20 30 DHEDMO C=CC[C@H](Cc1ccccc1)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000412846000 1029538447 /nfs/dbraw/zinc/53/84/47/1029538447.db2.gz WJQKWCDYAWVCOH-RTBURBONSA-N 1 1 314.473 3.555 20 30 DHEDMO CC[N@H+](c1ccc(NC[C@H](O)c2ccc(C#N)cc2)cc1)C(C)C ZINC000819399778 1029547403 /nfs/dbraw/zinc/54/74/03/1029547403.db2.gz XKHSHYZZPOTDBM-FQEVSTJZSA-N 1 1 323.440 3.938 20 30 DHEDMO CCc1cc(CCC[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)on1 ZINC000450652684 1029597264 /nfs/dbraw/zinc/59/72/64/1029597264.db2.gz ORQKNHLBMFWMTJ-UHFFFAOYSA-N 1 1 321.424 3.831 20 30 DHEDMO Cc1cc(C)c(C#N)c(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000347317895 1029627605 /nfs/dbraw/zinc/62/76/05/1029627605.db2.gz RDEVVCJLLMYFGC-MRXNPFEDSA-N 1 1 308.429 3.503 20 30 DHEDMO N#CC1(C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)CCC1 ZINC000450872705 1029718900 /nfs/dbraw/zinc/71/89/00/1029718900.db2.gz BIFOOSQOGDKYIB-INIZCTEOSA-N 1 1 302.393 3.501 20 30 DHEDMO N#CC1(C[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)CCC1 ZINC000450872705 1029718905 /nfs/dbraw/zinc/71/89/05/1029718905.db2.gz BIFOOSQOGDKYIB-INIZCTEOSA-N 1 1 302.393 3.501 20 30 DHEDMO COc1ccc(C[N@H+](CC2CC2)CC2(C#N)CCC2)c(OC)c1 ZINC000450921776 1029738621 /nfs/dbraw/zinc/73/86/21/1029738621.db2.gz KHIHWMNQEHTNOF-UHFFFAOYSA-N 1 1 314.429 3.610 20 30 DHEDMO COc1ccc(C[N@@H+](CC2CC2)CC2(C#N)CCC2)c(OC)c1 ZINC000450921776 1029738627 /nfs/dbraw/zinc/73/86/27/1029738627.db2.gz KHIHWMNQEHTNOF-UHFFFAOYSA-N 1 1 314.429 3.610 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000451007265 1029765401 /nfs/dbraw/zinc/76/54/01/1029765401.db2.gz UABGZPYVTMXDRP-SFHVURJKSA-N 1 1 310.828 3.966 20 30 DHEDMO C=CC1(CC(=O)NCC[N@H+](C)C2CCCCC2)CCCCC1 ZINC001136422841 1029818752 /nfs/dbraw/zinc/81/87/52/1029818752.db2.gz JUGVOKVXZUHXSB-UHFFFAOYSA-N 1 1 306.494 3.894 20 30 DHEDMO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000451337124 1029850825 /nfs/dbraw/zinc/85/08/25/1029850825.db2.gz FWLQMJUNMCKACZ-CEXWTWQISA-N 1 1 317.860 3.707 20 30 DHEDMO O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000451341744 1029851521 /nfs/dbraw/zinc/85/15/21/1029851521.db2.gz LQUOBODFKCLUMJ-YTQUADARSA-N 1 1 317.860 3.707 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451415080 1029872709 /nfs/dbraw/zinc/87/27/09/1029872709.db2.gz JFRZMTAORWAIDA-QXAKKESOSA-N 1 1 312.457 3.613 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000530733732 1029977479 /nfs/dbraw/zinc/97/74/79/1029977479.db2.gz RLSJZSGFGXBBJW-OAQYLSRUSA-N 1 1 320.436 3.782 20 30 DHEDMO C=CCCC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC001136598249 1030064955 /nfs/dbraw/zinc/06/49/55/1030064955.db2.gz YJEYMTMWTQSKLM-APWZRJJASA-N 1 1 314.473 3.725 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@H](CC(C)C)c1ccccc1)C1CC1 ZINC000357548870 1030101315 /nfs/dbraw/zinc/10/13/15/1030101315.db2.gz BVFYHOIQBOYXRB-GOSISDBHSA-N 1 1 300.446 3.540 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@H](CC(C)C)c1ccccc1)C1CC1 ZINC000357548870 1030101320 /nfs/dbraw/zinc/10/13/20/1030101320.db2.gz BVFYHOIQBOYXRB-GOSISDBHSA-N 1 1 300.446 3.540 20 30 DHEDMO COc1ccc2cc(-c3noc([C@H]([NH3+])CCCC#N)n3)ccc2c1 ZINC000822722631 1030108163 /nfs/dbraw/zinc/10/81/63/1030108163.db2.gz IMSOJHGDSJYXDN-MRXNPFEDSA-N 1 1 322.368 3.592 20 30 DHEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC000357716935 1030161252 /nfs/dbraw/zinc/16/12/52/1030161252.db2.gz PGGZMXGAJNNBLE-OLZOCXBDSA-N 1 1 319.836 3.661 20 30 DHEDMO CCOc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)cc1F ZINC000866261468 1030184458 /nfs/dbraw/zinc/18/44/58/1030184458.db2.gz VATBWLJSXWNCRJ-GFCCVEGCSA-N 1 1 314.360 3.652 20 30 DHEDMO CCC[N@@H+](CC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000533247581 1030216786 /nfs/dbraw/zinc/21/67/86/1030216786.db2.gz BEHNRQCIFKBPHX-AWEZNQCLSA-N 1 1 319.474 3.609 20 30 DHEDMO Cc1ccc([C@H](c2noc([C@H]([NH3+])CCCC#N)n2)C(C)C)cc1 ZINC000823200438 1030227888 /nfs/dbraw/zinc/22/78/88/1030227888.db2.gz VQOGRKYFTDWJDD-HZPDHXFCSA-N 1 1 312.417 3.860 20 30 DHEDMO Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)CCC2 ZINC000866336819 1030236830 /nfs/dbraw/zinc/23/68/30/1030236830.db2.gz NFELHSQDEWZXFS-IINYFYTJSA-N 1 1 313.426 3.757 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](C)C[C@H]1C ZINC000533292124 1030249084 /nfs/dbraw/zinc/24/90/84/1030249084.db2.gz SNQUHRXULZWKHY-ZIAGYGMSSA-N 1 1 304.459 3.634 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)C[C@H]1C ZINC000533292123 1030249223 /nfs/dbraw/zinc/24/92/23/1030249223.db2.gz SNQUHRXULZWKHY-UONOGXRCSA-N 1 1 304.459 3.634 20 30 DHEDMO C=CCn1cccc1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000357930359 1030251002 /nfs/dbraw/zinc/25/10/02/1030251002.db2.gz NIJRAKIGHLXTTP-UHFFFAOYSA-N 1 1 317.820 3.641 20 30 DHEDMO CC(F)(F)c1cccc(-c2noc([C@H]([NH3+])CCCC#N)n2)c1 ZINC000823281791 1030256231 /nfs/dbraw/zinc/25/62/31/1030256231.db2.gz XRYRZXUYSXLLPE-GFCCVEGCSA-N 1 1 306.316 3.542 20 30 DHEDMO C=CC[N@@H+](C)Cn1ncc2ccc(OCc3ccccc3)cc21 ZINC000777548374 1030311697 /nfs/dbraw/zinc/31/16/97/1030311697.db2.gz QGWFWEKYPVINAR-UHFFFAOYSA-N 1 1 307.397 3.691 20 30 DHEDMO C=CC[N@H+](C)Cn1ncc2ccc(OCc3ccccc3)cc21 ZINC000777548374 1030311713 /nfs/dbraw/zinc/31/17/13/1030311713.db2.gz QGWFWEKYPVINAR-UHFFFAOYSA-N 1 1 307.397 3.691 20 30 DHEDMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000533399238 1030317318 /nfs/dbraw/zinc/31/73/18/1030317318.db2.gz KLHMVOLNIRAKHE-CVEARBPZSA-N 1 1 321.424 3.621 20 30 DHEDMO CC#CCC[N@H+]1CC2(C[C@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823649520 1030354310 /nfs/dbraw/zinc/35/43/10/1030354310.db2.gz FBZBAHNWFIEZHH-MRXNPFEDSA-N 1 1 320.477 3.511 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000455246773 1030377917 /nfs/dbraw/zinc/37/79/17/1030377917.db2.gz NIYDBQMIEXVAEH-OAHLLOKOSA-N 1 1 315.461 3.612 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000358289555 1030421766 /nfs/dbraw/zinc/42/17/66/1030421766.db2.gz PPUDNZBFMSJVLJ-IBGZPJMESA-N 1 1 319.408 3.919 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3ccnc(Cl)c3F)CC2)c1 ZINC000824027155 1030454491 /nfs/dbraw/zinc/45/44/91/1030454491.db2.gz GORRJJCSRRAZQW-UHFFFAOYSA-N 1 1 301.752 3.525 20 30 DHEDMO COc1ccc(C[NH2+][C@H](C)c2cccc(F)c2F)cc1C#N ZINC000121962840 1030519184 /nfs/dbraw/zinc/51/91/84/1030519184.db2.gz TYVRDLIVNAWBGV-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@H+]2Cc2ccc3ccccc3c2)C1=O ZINC001275603452 1030529939 /nfs/dbraw/zinc/52/99/39/1030529939.db2.gz VLKVACVVHZPSHB-OAQYLSRUSA-N 1 1 320.436 3.593 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C3(C#N)CC3)cc2)no1 ZINC000824575455 1030583917 /nfs/dbraw/zinc/58/39/17/1030583917.db2.gz FUKZQLSNULTDOQ-SFHVURJKSA-N 1 1 307.397 3.875 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C3(C#N)CC3)cc2)no1 ZINC000824575455 1030583929 /nfs/dbraw/zinc/58/39/29/1030583929.db2.gz FUKZQLSNULTDOQ-SFHVURJKSA-N 1 1 307.397 3.875 20 30 DHEDMO N#CC1CC[NH+](Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000824645814 1030596595 /nfs/dbraw/zinc/59/65/95/1030596595.db2.gz QKOXXVBSPDBFIV-UHFFFAOYSA-N 1 1 311.360 3.749 20 30 DHEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H]1CCc2c1cccc2C#N ZINC001171061267 1030599894 /nfs/dbraw/zinc/59/98/94/1030599894.db2.gz SOLAIRPDPTWQEE-QGZVFWFLSA-N 1 1 315.380 3.588 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000824942323 1030676731 /nfs/dbraw/zinc/67/67/31/1030676731.db2.gz YIKDEGJCJJPBTF-VQTJNVASSA-N 1 1 309.457 3.657 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(C)C ZINC000358925057 1030678190 /nfs/dbraw/zinc/67/81/90/1030678190.db2.gz QSPBBZTYMNDRPU-UHFFFAOYSA-N 1 1 307.825 3.518 20 30 DHEDMO CC(C)n1cc([C@@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)nn1 ZINC000926480003 1030758933 /nfs/dbraw/zinc/75/89/33/1030758933.db2.gz NQXDRDMVWPWWEW-NVXWUHKLSA-N 1 1 311.433 3.945 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1ccc(C)s1 ZINC000359095492 1030775597 /nfs/dbraw/zinc/77/55/97/1030775597.db2.gz MOUHJEZPPBDPLG-CVEARBPZSA-N 1 1 318.486 3.783 20 30 DHEDMO Cc1nc2c(o1)CCC[C@H]2[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000926669315 1030852330 /nfs/dbraw/zinc/85/23/30/1030852330.db2.gz ABRPGKGSHPCXEC-MRXNPFEDSA-N 1 1 307.397 3.901 20 30 DHEDMO Cc1nc2c(o1)CCC[C@@H]2[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000926669312 1030852855 /nfs/dbraw/zinc/85/28/55/1030852855.db2.gz ABRPGKGSHPCXEC-INIZCTEOSA-N 1 1 307.397 3.901 20 30 DHEDMO CC[C@@H]([NH2+]Cc1cc(COC)cs1)c1cccc(C#N)c1O ZINC000926705400 1030872967 /nfs/dbraw/zinc/87/29/67/1030872967.db2.gz USHKCAJJBIVESL-MRXNPFEDSA-N 1 1 316.426 3.713 20 30 DHEDMO CC1(C#N)CC[NH+](Cc2ccc(OC(F)(F)F)cc2F)CC1 ZINC001143791410 1030972578 /nfs/dbraw/zinc/97/25/78/1030972578.db2.gz NXEUNCGCNRCNFO-UHFFFAOYSA-N 1 1 316.298 3.850 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001143791183 1030973336 /nfs/dbraw/zinc/97/33/36/1030973336.db2.gz FLYDRWBLMOHSHS-LLVKDONJSA-N 1 1 316.298 3.850 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001143791183 1030973351 /nfs/dbraw/zinc/97/33/51/1030973351.db2.gz FLYDRWBLMOHSHS-LLVKDONJSA-N 1 1 316.298 3.850 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2c(F)cc(C#N)cc2F)C1 ZINC000359465254 1030979149 /nfs/dbraw/zinc/97/91/49/1030979149.db2.gz IJSKNEUYABYFPW-VNHYZAJKSA-N 1 1 319.399 3.678 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2c(F)cc(C#N)cc2F)C1 ZINC000359465246 1030980792 /nfs/dbraw/zinc/98/07/92/1030980792.db2.gz IJSKNEUYABYFPW-GUTXKFCHSA-N 1 1 319.399 3.678 20 30 DHEDMO N#Cc1ccc(CNC[C@@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000237842649 1031032659 /nfs/dbraw/zinc/03/26/59/1031032659.db2.gz MPBMXZZDMIYXOZ-FQEVSTJZSA-N 1 1 311.473 3.693 20 30 DHEDMO N#Cc1ccc(C[NH2+]C[C@@H]2CCCN2CC2CCCCC2)cc1 ZINC000237842649 1031032670 /nfs/dbraw/zinc/03/26/70/1031032670.db2.gz MPBMXZZDMIYXOZ-FQEVSTJZSA-N 1 1 311.473 3.693 20 30 DHEDMO Cc1cccc(Cl)c1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372118 1031073269 /nfs/dbraw/zinc/07/32/69/1031073269.db2.gz VBAYZRRYYCPPSI-GOSISDBHSA-N 1 1 314.816 3.686 20 30 DHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)[C@H]1CC[C@H](C#N)C1 ZINC000559070347 1031083793 /nfs/dbraw/zinc/08/37/93/1031083793.db2.gz ZTBGHCTZDVAQHX-YJBOKZPZSA-N 1 1 308.429 3.633 20 30 DHEDMO C=CC[C@H]1CCN(C(=O)c2ccc(C[N@H+](CC)CCC)cc2)C1 ZINC000628486869 1031194710 /nfs/dbraw/zinc/19/47/10/1031194710.db2.gz RZZGBGNRIXUUEX-KRWDZBQOSA-N 1 1 314.473 3.957 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc([C@H]2CCCO2)s1 ZINC000272639171 1031273784 /nfs/dbraw/zinc/27/37/84/1031273784.db2.gz OBFVMBMYJBFGPI-MRXNPFEDSA-N 1 1 318.442 3.818 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cnc([C@H]2CCCO2)s1 ZINC000272639171 1031273796 /nfs/dbraw/zinc/27/37/96/1031273796.db2.gz OBFVMBMYJBFGPI-MRXNPFEDSA-N 1 1 318.442 3.818 20 30 DHEDMO N#Cc1ccc(C[N@@H+](CCCCCCO)Cc2ccccc2)nc1 ZINC001144166469 1031306994 /nfs/dbraw/zinc/30/69/94/1031306994.db2.gz HJMLXMULHNAFPH-UHFFFAOYSA-N 1 1 323.440 3.508 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)nc1 ZINC001144169854 1031311473 /nfs/dbraw/zinc/31/14/73/1031311473.db2.gz ZWFHENOSXNKBLA-HXUWFJFHSA-N 1 1 321.399 3.572 20 30 DHEDMO C[C@@H](Nc1ccc2c(c1)[nH+]cn2C)c1ccc(OCC#N)cc1 ZINC000777694934 1031348708 /nfs/dbraw/zinc/34/87/08/1031348708.db2.gz NYEPOYOFWJXOOF-CYBMUJFWSA-N 1 1 306.369 3.649 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000536669381 1031369355 /nfs/dbraw/zinc/36/93/55/1031369355.db2.gz ADFITDAIMUGGCP-PMACEKPBSA-N 1 1 318.420 3.893 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000536669381 1031369371 /nfs/dbraw/zinc/36/93/71/1031369371.db2.gz ADFITDAIMUGGCP-PMACEKPBSA-N 1 1 318.420 3.893 20 30 DHEDMO C[C@@H](C#N)CN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000536711306 1031413550 /nfs/dbraw/zinc/41/35/50/1031413550.db2.gz SBJZVQSWTTUWFA-KRWDZBQOSA-N 1 1 313.489 3.769 20 30 DHEDMO C=CC[N@H+](CCCc1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000360449816 1031431507 /nfs/dbraw/zinc/43/15/07/1031431507.db2.gz SRGLWQVAXAUEAB-UHFFFAOYSA-N 1 1 311.385 3.611 20 30 DHEDMO C=C(C)C[N@@H+](CC)Cc1cc(Br)c(F)cc1O ZINC001144306520 1031455925 /nfs/dbraw/zinc/45/59/25/1031455925.db2.gz FJFYEEXYCSRMNJ-UHFFFAOYSA-N 1 1 302.187 3.692 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1cc(Br)c(F)cc1O ZINC001144306520 1031455935 /nfs/dbraw/zinc/45/59/35/1031455935.db2.gz FJFYEEXYCSRMNJ-UHFFFAOYSA-N 1 1 302.187 3.692 20 30 DHEDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cncc(C#N)c1 ZINC000929185301 1031458508 /nfs/dbraw/zinc/45/85/08/1031458508.db2.gz SEBHYQYKNHCHJH-UHFFFAOYSA-N 1 1 320.440 3.576 20 30 DHEDMO C[N@H+](CCCCC1(C#N)CCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000929244999 1031474757 /nfs/dbraw/zinc/47/47/57/1031474757.db2.gz QYZFCWJXGCQWGW-UHFFFAOYSA-N 1 1 324.428 3.631 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000929244999 1031474769 /nfs/dbraw/zinc/47/47/69/1031474769.db2.gz QYZFCWJXGCQWGW-UHFFFAOYSA-N 1 1 324.428 3.631 20 30 DHEDMO Cc1nccc([C@@H]2CCC[N@@H+](CCCCC3(C#N)CCC3)C2)n1 ZINC000929297632 1031487689 /nfs/dbraw/zinc/48/76/89/1031487689.db2.gz YABQFLHYNOIBBW-QGZVFWFLSA-N 1 1 312.461 3.829 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000537047990 1031495655 /nfs/dbraw/zinc/49/56/55/1031495655.db2.gz CUEYTWJUOROZIY-QZTJIDSGSA-N 1 1 314.473 3.873 20 30 DHEDMO N#CC1CCC(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)CC1 ZINC000929338894 1031497662 /nfs/dbraw/zinc/49/76/62/1031497662.db2.gz PTDWRRAGRRYRRS-HTWSVDAQSA-N 1 1 302.418 3.591 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCC[C@@H](C)C1 ZINC000360627740 1031497965 /nfs/dbraw/zinc/49/79/65/1031497965.db2.gz COTDLNPENVVURL-OLZOCXBDSA-N 1 1 319.836 3.661 20 30 DHEDMO C[N@H+](Cc1cncc(C#N)c1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000929423851 1031518735 /nfs/dbraw/zinc/51/87/35/1031518735.db2.gz DREJGPZWJVGSTF-WOJBJXKFSA-N 1 1 321.424 3.553 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360708336 1031531818 /nfs/dbraw/zinc/53/18/18/1031531818.db2.gz SILHUHYIGXSTJL-UHFFFAOYSA-N 1 1 304.393 3.614 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360708336 1031531843 /nfs/dbraw/zinc/53/18/43/1031531843.db2.gz SILHUHYIGXSTJL-UHFFFAOYSA-N 1 1 304.393 3.614 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000537224118 1031545442 /nfs/dbraw/zinc/54/54/42/1031545442.db2.gz HUMQQVGWUDWQEC-YJBOKZPZSA-N 1 1 318.436 3.651 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000537224118 1031545448 /nfs/dbraw/zinc/54/54/48/1031545448.db2.gz HUMQQVGWUDWQEC-YJBOKZPZSA-N 1 1 318.436 3.651 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(OC(C)C)cc2)no1 ZINC000872176549 1031551086 /nfs/dbraw/zinc/55/10/86/1031551086.db2.gz SEVDSSVVOMKGCH-CYBMUJFWSA-N 1 1 307.781 3.666 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C(C)(C)Cc2ccccc2)no1 ZINC000872179965 1031553001 /nfs/dbraw/zinc/55/30/01/1031553001.db2.gz JAFJUCFRASNNLT-CYBMUJFWSA-N 1 1 305.809 3.732 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C(C)(C)c2ccccc2OC)no1 ZINC000872179748 1031553112 /nfs/dbraw/zinc/55/31/12/1031553112.db2.gz FRWCMZKXGNIBOW-GFCCVEGCSA-N 1 1 321.808 3.547 20 30 DHEDMO CCCC[NH+](CCCC)CCN[C@H](C)Cc1cccc(C#N)c1 ZINC001171182183 1031578970 /nfs/dbraw/zinc/57/89/70/1031578970.db2.gz SBJVDXKJIJDQTK-GOSISDBHSA-N 1 1 315.505 3.981 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccc(OC(C)=O)cc1 ZINC000124058774 1031591142 /nfs/dbraw/zinc/59/11/42/1031591142.db2.gz HCQMSFBBGJBQBX-UHFFFAOYSA-N 1 1 302.418 3.764 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(OC(C)=O)cc1 ZINC000124058774 1031591146 /nfs/dbraw/zinc/59/11/46/1031591146.db2.gz HCQMSFBBGJBQBX-UHFFFAOYSA-N 1 1 302.418 3.764 20 30 DHEDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929798186 1031611841 /nfs/dbraw/zinc/61/18/41/1031611841.db2.gz ZTMYPJMDXGWNJT-HNNXBMFYSA-N 1 1 306.450 3.514 20 30 DHEDMO C=CCCC1(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000476050248 1031619842 /nfs/dbraw/zinc/61/98/42/1031619842.db2.gz MYWYLKXKTGAXNM-MSOLQXFVSA-N 1 1 318.505 3.846 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)CC1 ZINC000929867086 1031629712 /nfs/dbraw/zinc/62/97/12/1031629712.db2.gz JWRFAXHVWITEIZ-UHFFFAOYSA-N 1 1 320.440 3.982 20 30 DHEDMO C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCC[C@H]1C#N ZINC000872680188 1031643093 /nfs/dbraw/zinc/64/30/93/1031643093.db2.gz CWFYOFSXTPAVEY-SWLSCSKDSA-N 1 1 302.418 3.519 20 30 DHEDMO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCC[C@H]1C#N ZINC000872680188 1031643102 /nfs/dbraw/zinc/64/31/02/1031643102.db2.gz CWFYOFSXTPAVEY-SWLSCSKDSA-N 1 1 302.418 3.519 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(CC(C)(C)C)CC1 ZINC001171193829 1031654606 /nfs/dbraw/zinc/65/46/06/1031654606.db2.gz CVVLKFWNTACARM-INIZCTEOSA-N 1 1 313.489 3.589 20 30 DHEDMO CC(C)c1c[nH]c(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000897589189 1031663370 /nfs/dbraw/zinc/66/33/70/1031663370.db2.gz UFUMSGJRJAQFHU-UHFFFAOYSA-N 1 1 308.429 3.784 20 30 DHEDMO CCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC000897592334 1031666124 /nfs/dbraw/zinc/66/61/24/1031666124.db2.gz UUCBETQVPIYZEU-HXUWFJFHSA-N 1 1 322.408 3.530 20 30 DHEDMO CCOc1cccc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC000897592334 1031666139 /nfs/dbraw/zinc/66/61/39/1031666139.db2.gz UUCBETQVPIYZEU-HXUWFJFHSA-N 1 1 322.408 3.530 20 30 DHEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930126406 1031706552 /nfs/dbraw/zinc/70/65/52/1031706552.db2.gz OEHWLDLJVSVGLS-MRXNPFEDSA-N 1 1 314.820 3.889 20 30 DHEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930126406 1031706562 /nfs/dbraw/zinc/70/65/62/1031706562.db2.gz OEHWLDLJVSVGLS-MRXNPFEDSA-N 1 1 314.820 3.889 20 30 DHEDMO Cc1nc2c(s1)[C@@H]([NH2+]Cc1cccc(F)c1C#N)CCC2 ZINC000873101865 1031712335 /nfs/dbraw/zinc/71/23/35/1031712335.db2.gz CUYHFYFPCOOHNW-AWEZNQCLSA-N 1 1 301.390 3.630 20 30 DHEDMO C=CCN(CC=C)[C@H](C[NH2+][C@H](C)c1csc(C)n1)C(C)C ZINC000361098560 1031727508 /nfs/dbraw/zinc/72/75/08/1031727508.db2.gz UEJKHYYXGNRRML-RHSMWYFYSA-N 1 1 307.507 3.801 20 30 DHEDMO Cc1cc(C[NH+]2CCC(S)CC2)c(F)cc1Br ZINC001144590438 1031735284 /nfs/dbraw/zinc/73/52/84/1031735284.db2.gz IFYAFPBGQFKMHU-UHFFFAOYSA-N 1 1 318.255 3.791 20 30 DHEDMO C=CCCc1ccccc1NC(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000897667902 1031775199 /nfs/dbraw/zinc/77/51/99/1031775199.db2.gz AORJAFTUXHXIRJ-GOSISDBHSA-N 1 1 324.428 3.547 20 30 DHEDMO C=CCCc1ccccc1NC(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000897667902 1031775209 /nfs/dbraw/zinc/77/52/09/1031775209.db2.gz AORJAFTUXHXIRJ-GOSISDBHSA-N 1 1 324.428 3.547 20 30 DHEDMO COc1ccc2c(c1)OCC[N@H+](CCCCC1(C#N)CCC1)C2 ZINC000930356060 1031790533 /nfs/dbraw/zinc/79/05/33/1031790533.db2.gz BYFRCYVQIHYFOD-UHFFFAOYSA-N 1 1 314.429 3.754 20 30 DHEDMO COc1ccc2c(c1)C[N@@H+]([C@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171204342 1031805265 /nfs/dbraw/zinc/80/52/65/1031805265.db2.gz WALULANPQCWGFW-OAHLLOKOSA-N 1 1 306.409 3.556 20 30 DHEDMO N#Cc1cncc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000930451935 1031823580 /nfs/dbraw/zinc/82/35/80/1031823580.db2.gz XJOTUKCJYDSNLI-XUVXKRRUSA-N 1 1 303.409 3.721 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000846107006 1031878698 /nfs/dbraw/zinc/87/86/98/1031878698.db2.gz DQDXUESYJMRPTC-XJKSGUPXSA-N 1 1 306.356 3.599 20 30 DHEDMO COc1ccccc1CC[N@@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171222987 1031961784 /nfs/dbraw/zinc/96/17/84/1031961784.db2.gz KYZZWTHHINXKQF-INIZCTEOSA-N 1 1 308.425 3.672 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC001171223831 1031976326 /nfs/dbraw/zinc/97/63/26/1031976326.db2.gz NXYHZNIHVTWLQE-AWEZNQCLSA-N 1 1 305.381 3.762 20 30 DHEDMO COc1cccc2c1CC[N@H+]([C@H](C)Cc1cccc(C#N)c1)C2 ZINC001171227827 1031993225 /nfs/dbraw/zinc/99/32/25/1031993225.db2.gz ASAPYEVWUHGHCI-OAHLLOKOSA-N 1 1 306.409 3.556 20 30 DHEDMO N#CC1CCC(C[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)CC1 ZINC000930954470 1031993798 /nfs/dbraw/zinc/99/37/98/1031993798.db2.gz VJNXRZKBONDVAB-LEOMRAHMSA-N 1 1 320.440 3.749 20 30 DHEDMO C[C@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@@H](CC(F)(F)F)O1 ZINC000931073270 1032027624 /nfs/dbraw/zinc/02/76/24/1032027624.db2.gz NJZAQPRBFVDTCB-UONOGXRCSA-N 1 1 318.383 3.892 20 30 DHEDMO C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@@H](CC(F)(F)F)O1 ZINC000931073270 1032027638 /nfs/dbraw/zinc/02/76/38/1032027638.db2.gz NJZAQPRBFVDTCB-UONOGXRCSA-N 1 1 318.383 3.892 20 30 DHEDMO CCCC[C@H]1C[C@H]([N@@H+](C)CCC#N)CCN1C(=O)OC(C)(C)C ZINC001172631897 1033300531 /nfs/dbraw/zinc/30/05/31/1033300531.db2.gz GZVVYASRBZVWRM-CVEARBPZSA-N 1 1 323.481 3.790 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172720031 1033326151 /nfs/dbraw/zinc/32/61/51/1033326151.db2.gz UYZSMWPXOHARIC-LJQANCHMSA-N 1 1 308.812 3.737 20 30 DHEDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)cn1 ZINC001137121418 1033326787 /nfs/dbraw/zinc/32/67/87/1033326787.db2.gz KMJFUATVFJXBJB-LJQANCHMSA-N 1 1 307.397 3.630 20 30 DHEDMO C[C@H](C#N)C[N@H+](Cc1ccc(OCc2cccnc2)cc1)C1CC1 ZINC000338360171 1033332833 /nfs/dbraw/zinc/33/28/33/1033332833.db2.gz PHQPUDNIJCPJNK-MRXNPFEDSA-N 1 1 321.424 3.785 20 30 DHEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)C1CC1 ZINC000338360171 1033332850 /nfs/dbraw/zinc/33/28/50/1033332850.db2.gz PHQPUDNIJCPJNK-MRXNPFEDSA-N 1 1 321.424 3.785 20 30 DHEDMO COc1ccc(C[N@@H+](CCCCC#N)[C@H](C)C2CC2)c(OC)c1 ZINC000338372918 1033335014 /nfs/dbraw/zinc/33/50/14/1033335014.db2.gz QIQFFZRPAJNINJ-OAHLLOKOSA-N 1 1 316.445 3.998 20 30 DHEDMO C#CCCCCCC[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000877577093 1033366372 /nfs/dbraw/zinc/36/63/72/1033366372.db2.gz TZMAHQLOUIGLCC-UHFFFAOYSA-N 1 1 304.400 3.529 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+]C2(c3cccc(F)c3)CCC2)c1 ZINC000877605000 1033377006 /nfs/dbraw/zinc/37/70/06/1033377006.db2.gz KLWIDTKNKMIVKD-UHFFFAOYSA-N 1 1 315.779 3.915 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ncccc1C(F)(F)F ZINC000877704249 1033419372 /nfs/dbraw/zinc/41/93/72/1033419372.db2.gz LIMDUFJEWGPBOG-UHFFFAOYSA-N 1 1 319.330 3.647 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)c1 ZINC000877739969 1033429211 /nfs/dbraw/zinc/42/92/11/1033429211.db2.gz PSZXWTZMGSRQSA-DLBZAZTESA-N 1 1 316.470 3.554 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1ccsc1)c1ccccc1 ZINC000877920135 1033516571 /nfs/dbraw/zinc/51/65/71/1033516571.db2.gz FUAJDHWTZMZBTH-GOSISDBHSA-N 1 1 312.438 3.621 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1ccsc1)c1ccccc1 ZINC000877920135 1033516574 /nfs/dbraw/zinc/51/65/74/1033516574.db2.gz FUAJDHWTZMZBTH-GOSISDBHSA-N 1 1 312.438 3.621 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000878133859 1033592051 /nfs/dbraw/zinc/59/20/51/1033592051.db2.gz OBZFGKFUMDEFEN-YZGWKJHDSA-N 1 1 310.441 3.692 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000878153989 1033600413 /nfs/dbraw/zinc/60/04/13/1033600413.db2.gz SLKNQUBZDBNXSS-OTWHNJEPSA-N 1 1 310.441 3.860 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000878153989 1033600425 /nfs/dbraw/zinc/60/04/25/1033600425.db2.gz SLKNQUBZDBNXSS-OTWHNJEPSA-N 1 1 310.441 3.860 20 30 DHEDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](CCC#N)C1CCCC1 ZINC001173225413 1033602450 /nfs/dbraw/zinc/60/24/50/1033602450.db2.gz BYLFSIJUOFCRFJ-CQSZACIVSA-N 1 1 301.390 3.684 20 30 DHEDMO CC[C@@H](C)C[N@@H+](CC)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878165575 1033603517 /nfs/dbraw/zinc/60/35/17/1033603517.db2.gz YMVSBFXRAZPJQT-APWZRJJASA-N 1 1 300.446 3.795 20 30 DHEDMO C=C(C)[C@@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000478922198 1033610326 /nfs/dbraw/zinc/61/03/26/1033610326.db2.gz WYCBHFUQZPFODA-FHSNZYRGSA-N 1 1 322.399 3.571 20 30 DHEDMO C=C(C)C[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]2CCCC[C@@H]21 ZINC000479113898 1033657813 /nfs/dbraw/zinc/65/78/13/1033657813.db2.gz FDMJGFUKRQNOME-ZBRFXRBCSA-N 1 1 306.494 3.746 20 30 DHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H]1CC[C@H](CC)C1)C2 ZINC001173280640 1033670725 /nfs/dbraw/zinc/67/07/25/1033670725.db2.gz NDCQQHHHPQQRST-YQVWRLOYSA-N 1 1 304.478 3.598 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@H](OCc3ccccc3)C2)CC1 ZINC001173320882 1033685735 /nfs/dbraw/zinc/68/57/35/1033685735.db2.gz TXBVUYVJTOBZJF-MHJFOBGBSA-N 1 1 315.457 3.791 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCC[C@H](c3ccccn3)C2)CC1 ZINC001173327180 1033687884 /nfs/dbraw/zinc/68/78/84/1033687884.db2.gz IKGMGVOYYPHVOL-AOCRQIFASA-N 1 1 300.446 3.775 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H](C(C)(C)C)C1)c1ccccc1 ZINC000878404784 1033690764 /nfs/dbraw/zinc/69/07/64/1033690764.db2.gz JGPFBFRDMQOXCH-UYAOXDASSA-N 1 1 312.457 3.795 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]([NH2+]C1CCC(CC#N)CC1)C(C)(C)C ZINC001173331976 1033691617 /nfs/dbraw/zinc/69/16/17/1033691617.db2.gz GELWHLIKBYLVHM-YMAMQOFZSA-N 1 1 308.466 3.805 20 30 DHEDMO C[N@@H+](Cc1cncc(Br)c1)C1CCC(CC#N)CC1 ZINC001173335994 1033692141 /nfs/dbraw/zinc/69/21/41/1033692141.db2.gz JJMUDDGYWBGUKV-UHFFFAOYSA-N 1 1 322.250 3.748 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@H](C)CC(C)(C)C1)c1ccccc1 ZINC000878403629 1033692520 /nfs/dbraw/zinc/69/25/20/1033692520.db2.gz DERXJIUFHIDBHJ-OXQOHEQNSA-N 1 1 312.457 3.795 20 30 DHEDMO CC1CCC(N2CC[NH+](C3CCC(CC#N)CC3)CC2)CC1 ZINC001173335795 1033692688 /nfs/dbraw/zinc/69/26/88/1033692688.db2.gz YTXPBIMPIRSUGL-UHFFFAOYSA-N 1 1 303.494 3.655 20 30 DHEDMO N#CCC1CCC([N@@H+](Cc2cccnc2)C2CCOCC2)CC1 ZINC001173340041 1033694167 /nfs/dbraw/zinc/69/41/67/1033694167.db2.gz XPJBWHNRHIBYAY-UHFFFAOYSA-N 1 1 313.445 3.535 20 30 DHEDMO C[C@H]1CN(C2CCC(CC#N)CC2)CC[N@H+]1C1CCCCC1 ZINC001173340586 1033697771 /nfs/dbraw/zinc/69/77/71/1033697771.db2.gz ZWCNGSUPRRQSNH-AOCRQIFASA-N 1 1 303.494 3.798 20 30 DHEDMO C[C@H]1C[N@@H+](C2CCC(CC#N)CC2)CCN1C1CCCCC1 ZINC001173340586 1033697779 /nfs/dbraw/zinc/69/77/79/1033697779.db2.gz ZWCNGSUPRRQSNH-AOCRQIFASA-N 1 1 303.494 3.798 20 30 DHEDMO C[C@H]1C[N@H+](C2CCC(CC#N)CC2)CCN1C1CCCCC1 ZINC001173340586 1033697782 /nfs/dbraw/zinc/69/77/82/1033697782.db2.gz ZWCNGSUPRRQSNH-AOCRQIFASA-N 1 1 303.494 3.798 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC001173319992 1033715067 /nfs/dbraw/zinc/71/50/67/1033715067.db2.gz DEJRATNNFIJNDW-FAFZWHIHSA-N 1 1 301.430 3.654 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C)c1ccccc1 ZINC000878496881 1033724247 /nfs/dbraw/zinc/72/42/47/1033724247.db2.gz LOMFMQXHUAOGDA-AXVVYFOYSA-N 1 1 312.457 3.793 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+](CC1CCC1)C(C)C)c1ccccc1 ZINC000878515821 1033732084 /nfs/dbraw/zinc/73/20/84/1033732084.db2.gz ISMFIKLXIVRNKL-FQEVSTJZSA-N 1 1 312.457 3.938 20 30 DHEDMO CC1(C#N)CCC([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)CC1 ZINC001173594511 1033780193 /nfs/dbraw/zinc/78/01/93/1033780193.db2.gz GPXWHCICWZHNPE-KBKAQKEBSA-N 1 1 316.489 3.986 20 30 DHEDMO CC1(C#N)CCC([N@@H+]2C[C@H]3[C@@H](CCN3Cc3ccccc3)C2)CC1 ZINC001173599743 1033783344 /nfs/dbraw/zinc/78/33/44/1033783344.db2.gz PVGSYVKFRPAJDS-QEMIJWRASA-N 1 1 323.484 3.665 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(OCC)c2OC(F)F)C1 ZINC000862442948 1033854877 /nfs/dbraw/zinc/85/48/77/1033854877.db2.gz JBXFLTIIXCJSPY-ZDUSSCGKSA-N 1 1 309.356 3.532 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878886647 1033856416 /nfs/dbraw/zinc/85/64/16/1033856416.db2.gz NTMQEKLWIDPRHO-ABAIWWIYSA-N 1 1 313.228 3.652 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878886647 1033856428 /nfs/dbraw/zinc/85/64/28/1033856428.db2.gz NTMQEKLWIDPRHO-ABAIWWIYSA-N 1 1 313.228 3.652 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1 ZINC000862444304 1033860626 /nfs/dbraw/zinc/86/06/26/1033860626.db2.gz UXVKOZUVFBKORD-MJBXVCDLSA-N 1 1 308.372 3.701 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC(F)(F)C[C@@H]1C)c1ccccc1 ZINC000879053471 1033907893 /nfs/dbraw/zinc/90/78/93/1033907893.db2.gz VEIYSSGWHDFRSJ-YOEHRIQHSA-N 1 1 320.383 3.547 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC(F)(F)C[C@@H]1C)c1ccccc1 ZINC000879053471 1033907901 /nfs/dbraw/zinc/90/79/01/1033907901.db2.gz VEIYSSGWHDFRSJ-YOEHRIQHSA-N 1 1 320.383 3.547 20 30 DHEDMO CCOCC[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCc2ccccc21 ZINC000879052089 1033908140 /nfs/dbraw/zinc/90/81/40/1033908140.db2.gz KJLNABQOUDGAQA-LJQANCHMSA-N 1 1 310.397 3.677 20 30 DHEDMO COC[C@@H](C)[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCc2ccccc21 ZINC000879064687 1033910499 /nfs/dbraw/zinc/91/04/99/1033910499.db2.gz MISKLKIKHINXAP-AUUYWEPGSA-N 1 1 310.397 3.676 20 30 DHEDMO CCCCOc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1OC ZINC000174269289 1033917183 /nfs/dbraw/zinc/91/71/83/1033917183.db2.gz PEPYETOHMJMJJX-UHFFFAOYSA-N 1 1 314.385 3.629 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ccc(C#N)o1 ZINC000174272178 1033919538 /nfs/dbraw/zinc/91/95/38/1033919538.db2.gz XLIMGCMFMHGYEM-INIZCTEOSA-N 1 1 323.440 3.815 20 30 DHEDMO CC(=O)Nc1cccc2c1C[N@H+]([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000879235187 1033958786 /nfs/dbraw/zinc/95/87/86/1033958786.db2.gz JDUIMXRIJXTFHR-CQSZACIVSA-N 1 1 319.408 3.636 20 30 DHEDMO CC(=O)Nc1cccc2c1C[N@@H+]([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000879235187 1033958793 /nfs/dbraw/zinc/95/87/93/1033958793.db2.gz JDUIMXRIJXTFHR-CQSZACIVSA-N 1 1 319.408 3.636 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879245155 1033960652 /nfs/dbraw/zinc/96/06/52/1033960652.db2.gz IKPAFBZKDATNRV-QZTJIDSGSA-N 1 1 300.446 3.904 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879245154 1033961757 /nfs/dbraw/zinc/96/17/57/1033961757.db2.gz IKPAFBZKDATNRV-MSOLQXFVSA-N 1 1 300.446 3.904 20 30 DHEDMO Cc1ccc2c(C[N@@H+](C)[C@@H]3CCC[C@@H]3C#N)cc(=O)oc2c1C ZINC000879311466 1033981278 /nfs/dbraw/zinc/98/12/78/1033981278.db2.gz QWFAHNZAQXZDKV-RHSMWYFYSA-N 1 1 310.397 3.534 20 30 DHEDMO Cc1ccc2c(C[N@H+](C)[C@@H]3CCC[C@@H]3C#N)cc(=O)oc2c1C ZINC000879311466 1033981285 /nfs/dbraw/zinc/98/12/85/1033981285.db2.gz QWFAHNZAQXZDKV-RHSMWYFYSA-N 1 1 310.397 3.534 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cccc(F)c3F)sc2C1 ZINC001173945440 1034005938 /nfs/dbraw/zinc/00/59/38/1034005938.db2.gz UBDVOVJXEUWSKW-UHFFFAOYSA-N 1 1 305.353 3.629 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499897 1034032454 /nfs/dbraw/zinc/03/24/54/1034032454.db2.gz GLXNRMPGRFAQDA-QGZVFWFLSA-N 1 1 312.461 3.586 20 30 DHEDMO COc1ccc([C@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC000879636213 1034066208 /nfs/dbraw/zinc/06/62/08/1034066208.db2.gz KBDBHKWRDKOEDG-FOIQADDNSA-N 1 1 322.408 3.701 20 30 DHEDMO COc1ccc([C@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC000879636213 1034066219 /nfs/dbraw/zinc/06/62/19/1034066219.db2.gz KBDBHKWRDKOEDG-FOIQADDNSA-N 1 1 322.408 3.701 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCCC[C@@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000898512991 1034071622 /nfs/dbraw/zinc/07/16/22/1034071622.db2.gz OWUMLYNYWGBCEC-RTBURBONSA-N 1 1 324.468 3.880 20 30 DHEDMO Cc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1F ZINC001174018559 1034073360 /nfs/dbraw/zinc/07/33/60/1034073360.db2.gz WXQOSUKINREUIE-UHFFFAOYSA-N 1 1 301.390 3.799 20 30 DHEDMO COc1ccc([C@H]2COCC[N@@H+]2CCCCC(C)(C)C#N)cc1 ZINC000879737825 1034103684 /nfs/dbraw/zinc/10/36/84/1034103684.db2.gz KMNQSXDPPLGAMV-GOSISDBHSA-N 1 1 316.445 3.789 20 30 DHEDMO COc1ccc([C@H]2COCC[N@H+]2CCCCC(C)(C)C#N)cc1 ZINC000879737825 1034103693 /nfs/dbraw/zinc/10/36/93/1034103693.db2.gz KMNQSXDPPLGAMV-GOSISDBHSA-N 1 1 316.445 3.789 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CC[C@]3(CCc4ccccc43)C2)cc1 ZINC000879998459 1034172888 /nfs/dbraw/zinc/17/28/88/1034172888.db2.gz SDSHWCDXHKYLGB-OAQYLSRUSA-N 1 1 318.420 3.679 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+]CCOc1ccccc1-c1ccccc1 ZINC000554487749 1034173876 /nfs/dbraw/zinc/17/38/76/1034173876.db2.gz HQKMERIQOFUHGV-QGZVFWFLSA-N 1 1 319.408 3.766 20 30 DHEDMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](CCC(C)(C)C#N)CC2 ZINC000880090439 1034205171 /nfs/dbraw/zinc/20/51/71/1034205171.db2.gz QRPSHWDHIPEYGC-ZDUSSCGKSA-N 1 1 302.418 3.563 20 30 DHEDMO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CCC(C)(C)C#N)CC2 ZINC000880090438 1034207031 /nfs/dbraw/zinc/20/70/31/1034207031.db2.gz QRPSHWDHIPEYGC-CYBMUJFWSA-N 1 1 302.418 3.563 20 30 DHEDMO CSCCON=C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000794575175 1034232100 /nfs/dbraw/zinc/23/21/00/1034232100.db2.gz YFJCSZWQAUPGBG-UHFFFAOYSA-N 1 1 312.866 3.671 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)C1 ZINC000880276749 1034274254 /nfs/dbraw/zinc/27/42/54/1034274254.db2.gz JSTJAHDVJXUSSH-NJAFHUGGSA-N 1 1 320.440 3.948 20 30 DHEDMO COc1cccc([C@@H]2CC[N@@H+](CCCSCC#N)C2(C)C)c1 ZINC000880284238 1034276633 /nfs/dbraw/zinc/27/66/33/1034276633.db2.gz AEFNRPNEPDJZKB-KRWDZBQOSA-N 1 1 318.486 3.910 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880316812 1034291498 /nfs/dbraw/zinc/29/14/98/1034291498.db2.gz HPFOGCCLNKVOLT-OAHLLOKOSA-N 1 1 311.454 3.934 20 30 DHEDMO C=CCCC[N@@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000554743617 1034299149 /nfs/dbraw/zinc/29/91/49/1034299149.db2.gz YNCBAUNCBJLWDS-OAHLLOKOSA-N 1 1 315.335 3.925 20 30 DHEDMO C=CCCC[N@H+]1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000554743617 1034299155 /nfs/dbraw/zinc/29/91/55/1034299155.db2.gz YNCBAUNCBJLWDS-OAHLLOKOSA-N 1 1 315.335 3.925 20 30 DHEDMO CC[N@@H+](Cc1cnn2ccccc12)[C@H](C)c1ccc(C#N)cc1 ZINC000179464071 1034311060 /nfs/dbraw/zinc/31/10/60/1034311060.db2.gz MBMQXBLVGWHBQR-OAHLLOKOSA-N 1 1 304.397 3.789 20 30 DHEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1cc(C)cs1)C2 ZINC001137154343 1034336984 /nfs/dbraw/zinc/33/69/84/1034336984.db2.gz DYRLSDGUPUFICJ-MSOLQXFVSA-N 1 1 321.486 3.630 20 30 DHEDMO CCO[C@@H](C)c1nc(CO[NH+]=C(N)C2CCCCC2)cs1 ZINC000120034130 1034338044 /nfs/dbraw/zinc/33/80/44/1034338044.db2.gz CKDWXHUPZRIKQF-NSHDSACASA-N 1 1 311.451 3.610 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2Cc3ccccc3N3CCC[C@H]3C2)cc1 ZINC000880555953 1034359775 /nfs/dbraw/zinc/35/97/75/1034359775.db2.gz XVVBXWLIWMHWMK-FQEVSTJZSA-N 1 1 317.436 3.737 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)s1 ZINC000880577962 1034367390 /nfs/dbraw/zinc/36/73/90/1034367390.db2.gz PCWWTXFYQQWQFN-HNNXBMFYSA-N 1 1 304.459 3.648 20 30 DHEDMO COc1ccc(C[N@@H+](CCOc2cccc(C#N)c2)C2CC2)cc1 ZINC000554855489 1034374821 /nfs/dbraw/zinc/37/48/21/1034374821.db2.gz FAJHEJCQSMJLJW-UHFFFAOYSA-N 1 1 322.408 3.610 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1Cl ZINC000554888790 1034394014 /nfs/dbraw/zinc/39/40/14/1034394014.db2.gz SSLBFHMWAKNDIN-YOEHRIQHSA-N 1 1 322.880 3.677 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000554888790 1034394025 /nfs/dbraw/zinc/39/40/25/1034394025.db2.gz SSLBFHMWAKNDIN-YOEHRIQHSA-N 1 1 322.880 3.677 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000554888790 1034394035 /nfs/dbraw/zinc/39/40/35/1034394035.db2.gz SSLBFHMWAKNDIN-YOEHRIQHSA-N 1 1 322.880 3.677 20 30 DHEDMO C[C@H](C[N@@H+](C)Cc1cn2ccccc2c1C#N)c1nccs1 ZINC000184013901 1034439611 /nfs/dbraw/zinc/43/96/11/1034439611.db2.gz OHSRDJCVSJDPPU-CYBMUJFWSA-N 1 1 310.426 3.503 20 30 DHEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1nc(C)cs1 ZINC000184347716 1034464099 /nfs/dbraw/zinc/46/40/99/1034464099.db2.gz KZGLZQAXNSBRLF-AWEZNQCLSA-N 1 1 301.415 3.573 20 30 DHEDMO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(F)ccc1F ZINC000794816936 1034536096 /nfs/dbraw/zinc/53/60/96/1034536096.db2.gz RVDHKDQXQDBYCC-KRWDZBQOSA-N 1 1 301.340 3.718 20 30 DHEDMO CC[NH+](CC)[C@H](C)C/N=C\c1cc(Cl)cc(Cl)c1O ZINC000794832431 1034549898 /nfs/dbraw/zinc/54/98/98/1034549898.db2.gz IXLLVRUGBXDASL-LGQZLYSRSA-N 1 1 303.233 3.848 20 30 DHEDMO C=CCOCC[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000555336779 1034641544 /nfs/dbraw/zinc/64/15/44/1034641544.db2.gz GNPNVKVPTSLDSA-UHFFFAOYSA-N 1 1 301.430 3.569 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000481215481 1034665261 /nfs/dbraw/zinc/66/52/61/1034665261.db2.gz YRSKDEALWSHSTM-AWEZNQCLSA-N 1 1 321.490 3.705 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000481215481 1034665265 /nfs/dbraw/zinc/66/52/65/1034665265.db2.gz YRSKDEALWSHSTM-AWEZNQCLSA-N 1 1 321.490 3.705 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)Cc1ccccc1 ZINC000555421945 1034689019 /nfs/dbraw/zinc/68/90/19/1034689019.db2.gz XOFWSCZESHZITQ-IEBWSBKVSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)Cc1ccccc1 ZINC000555421945 1034689033 /nfs/dbraw/zinc/68/90/33/1034689033.db2.gz XOFWSCZESHZITQ-IEBWSBKVSA-N 1 1 314.473 3.712 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000187692982 1034725413 /nfs/dbraw/zinc/72/54/13/1034725413.db2.gz HCDMGMFQGIQQKH-YJBOKZPZSA-N 1 1 320.502 3.679 20 30 DHEDMO C=C[C@](C)(CC)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000188285363 1034742147 /nfs/dbraw/zinc/74/21/47/1034742147.db2.gz IBAVIBNDMYPDRG-DNVCBOLYSA-N 1 1 316.445 3.621 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc2n[nH]cc21 ZINC000600121504 1034750595 /nfs/dbraw/zinc/75/05/95/1034750595.db2.gz VLXMCAREKSQEGW-FXAWDEMLSA-N 1 1 316.408 3.835 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000191466863 1034759420 /nfs/dbraw/zinc/75/94/20/1034759420.db2.gz NULYRSHMEYPGNN-UHFFFAOYSA-N 1 1 315.461 3.708 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](Cc1ccc3cc[nH]c3c1)C2 ZINC000600212300 1034806854 /nfs/dbraw/zinc/80/68/54/1034806854.db2.gz BVQLFULIYOYRAM-UHFFFAOYSA-N 1 1 301.393 3.792 20 30 DHEDMO C#CCCCCCC[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001175196116 1034846039 /nfs/dbraw/zinc/84/60/39/1034846039.db2.gz WAGKRMIGDUXFIY-CVEARBPZSA-N 1 1 308.466 3.558 20 30 DHEDMO N#Cc1ncc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc1Cl ZINC001175505345 1035012346 /nfs/dbraw/zinc/01/23/46/1035012346.db2.gz MEQNGIMAPIDDAV-UHFFFAOYSA-N 1 1 324.815 3.808 20 30 DHEDMO CC(C)n1ncc(C#N)c1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175505209 1035013239 /nfs/dbraw/zinc/01/32/39/1035013239.db2.gz RKWQRMWENQKPJL-UHFFFAOYSA-N 1 1 321.428 3.537 20 30 DHEDMO N#Cc1cc(F)cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001175506057 1035017477 /nfs/dbraw/zinc/01/74/77/1035017477.db2.gz MCJOCZJAUPCLEX-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO Cc1cccc([C@@H]2CCC[N@H+]2CCCOc2cccc(C#N)c2)n1 ZINC000160044719 1035127950 /nfs/dbraw/zinc/12/79/50/1035127950.db2.gz WRXPJNRMDAEMJH-FQEVSTJZSA-N 1 1 321.424 3.868 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160324129 1035171701 /nfs/dbraw/zinc/17/17/01/1035171701.db2.gz PFPVXDUKVYIFDU-GFCCVEGCSA-N 1 1 318.218 3.779 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC001176070817 1035190825 /nfs/dbraw/zinc/19/08/25/1035190825.db2.gz QKDKGCQRVNNZIK-CQSZACIVSA-N 1 1 311.347 3.820 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(NC=CCc3ccccc3)sc2C1 ZINC001176216278 1035225242 /nfs/dbraw/zinc/22/52/42/1035225242.db2.gz CSYPWBALBKUVDO-BJMVGYQFSA-N 1 1 309.438 3.776 20 30 DHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483255659 1035247483 /nfs/dbraw/zinc/24/74/83/1035247483.db2.gz BLRXRBWFXHLUPL-ZBFHGGJFSA-N 1 1 313.445 3.643 20 30 DHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483270843 1035248864 /nfs/dbraw/zinc/24/88/64/1035248864.db2.gz NTNUDKVRPCTJQD-IAGOWNOFSA-N 1 1 314.429 3.530 20 30 DHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483270843 1035248866 /nfs/dbraw/zinc/24/88/66/1035248866.db2.gz NTNUDKVRPCTJQD-IAGOWNOFSA-N 1 1 314.429 3.530 20 30 DHEDMO C#CC[N@H+](Cc1cccc(Br)c1Cl)C(C)C ZINC001176373027 1035259901 /nfs/dbraw/zinc/25/99/01/1035259901.db2.gz MCLCYESDBAECPE-UHFFFAOYSA-N 1 1 300.627 3.946 20 30 DHEDMO C#CC[N@@H+](Cc1cccc(Br)c1Cl)C(C)C ZINC001176373027 1035259905 /nfs/dbraw/zinc/25/99/05/1035259905.db2.gz MCLCYESDBAECPE-UHFFFAOYSA-N 1 1 300.627 3.946 20 30 DHEDMO C=CC[N@@H+](CCOC)Cc1cc(Br)c(Cl)s1 ZINC000483424342 1035268447 /nfs/dbraw/zinc/26/84/47/1035268447.db2.gz VGFRYADRRDURFB-UHFFFAOYSA-N 1 1 324.671 3.798 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1cc(Br)c(Cl)s1 ZINC000483424342 1035268448 /nfs/dbraw/zinc/26/84/48/1035268448.db2.gz VGFRYADRRDURFB-UHFFFAOYSA-N 1 1 324.671 3.798 20 30 DHEDMO C[N@@H+](CC#Cc1ccccc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000483960577 1035310979 /nfs/dbraw/zinc/31/09/79/1035310979.db2.gz NXBKFVRLTLMNLH-NRFANRHFSA-N 1 1 304.437 3.639 20 30 DHEDMO C[C@@H]1CCC[C@@H](CC[N@H+]2CCc3c(C#N)c(N)sc3C2)C1 ZINC001176777094 1035328255 /nfs/dbraw/zinc/32/82/55/1035328255.db2.gz HSHSWWUEIHYKFK-OLZOCXBDSA-N 1 1 303.475 3.776 20 30 DHEDMO C#C[C@@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001176832343 1035332614 /nfs/dbraw/zinc/33/26/14/1035332614.db2.gz AHRQLAQCVCLLRM-ZMSDIMECSA-N 1 1 323.358 3.656 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@@H](C)c1cccs1)CC1CCCCC1 ZINC000484485656 1035339077 /nfs/dbraw/zinc/33/90/77/1035339077.db2.gz JFEUKNGRTUFZKR-HNNXBMFYSA-N 1 1 320.502 3.994 20 30 DHEDMO C=CCC[N@H+]1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001177022186 1035343922 /nfs/dbraw/zinc/34/39/22/1035343922.db2.gz MBHZMKHHVQKYNX-MAUKXSAKSA-N 1 1 308.466 3.579 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cn1)CC1CCCCC1 ZINC000484518958 1035354766 /nfs/dbraw/zinc/35/47/66/1035354766.db2.gz XXRSCOSUAMMBOC-UHFFFAOYSA-N 1 1 321.852 3.742 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccnc(O[C@@H](C)CC)c2)no1 ZINC000904629239 1035437677 /nfs/dbraw/zinc/43/76/77/1035437677.db2.gz VFUBJRSVIKKNHQ-GXTWGEPZSA-N 1 1 316.405 3.665 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(OCC)c(F)c2)no1 ZINC000904708104 1035446371 /nfs/dbraw/zinc/44/63/71/1035446371.db2.gz MBJWUSIFXRKGND-ZDUSSCGKSA-N 1 1 305.353 3.631 20 30 DHEDMO N#Cc1csc(C[NH+]2CC(Cc3ccccc3Cl)C2)c1 ZINC000485298698 1035529819 /nfs/dbraw/zinc/52/98/19/1035529819.db2.gz DXMYTJZLRSAMNG-UHFFFAOYSA-N 1 1 302.830 3.948 20 30 DHEDMO C#C[C@H]([NH2+][C@H](C)c1nc(-c2ccccc2)cs1)[C@H]1CCCO1 ZINC000775573648 1035562817 /nfs/dbraw/zinc/56/28/17/1035562817.db2.gz ILJNITNRIXWHPZ-UKPHBRMFSA-N 1 1 312.438 3.642 20 30 DHEDMO C[C@H]1CCOCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000775571792 1035569522 /nfs/dbraw/zinc/56/95/22/1035569522.db2.gz IOZJZCGNJAFWSO-INIZCTEOSA-N 1 1 306.409 3.836 20 30 DHEDMO C#Cc1ccc(CN2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001180143321 1035599131 /nfs/dbraw/zinc/59/91/31/1035599131.db2.gz VWQDYAQKLKHBSN-RBUKOAKNSA-N 1 1 318.464 3.763 20 30 DHEDMO C#Cc1ccc(C[N@H+]2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)cc1 ZINC001180143321 1035599136 /nfs/dbraw/zinc/59/91/36/1035599136.db2.gz VWQDYAQKLKHBSN-RBUKOAKNSA-N 1 1 318.464 3.763 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)cc1 ZINC001180143321 1035599146 /nfs/dbraw/zinc/59/91/46/1035599146.db2.gz VWQDYAQKLKHBSN-RBUKOAKNSA-N 1 1 318.464 3.763 20 30 DHEDMO C=C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)c1ccccc1 ZINC000535383827 1035601991 /nfs/dbraw/zinc/60/19/91/1035601991.db2.gz QSNKTAMPOLYSRV-ZHALLVOQSA-N 1 1 314.473 3.678 20 30 DHEDMO C#CC(C)(C)[N@H+](C)CCCc1ccc(Br)cc1OC ZINC001193363785 1035620516 /nfs/dbraw/zinc/62/05/16/1035620516.db2.gz JAVIRCVDWKDKRV-UHFFFAOYSA-N 1 1 324.262 3.734 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1ccc2c(c1)sc(=O)n2C ZINC001180198683 1035627510 /nfs/dbraw/zinc/62/75/10/1035627510.db2.gz HKPZQQNKMJZMPG-UHFFFAOYSA-N 1 1 304.459 3.778 20 30 DHEDMO C#CC[N@H+](Cc1ccc(N(C)CC)nc1)[C@@H]1CCc2ccccc21 ZINC001180296842 1035646790 /nfs/dbraw/zinc/64/67/90/1035646790.db2.gz MXBHNXBMWDIYBU-HXUWFJFHSA-N 1 1 319.452 3.660 20 30 DHEDMO C#CC[N@@H+](Cc1cnc2onc(C)c2c1)[C@@H]1CCc2ccccc21 ZINC001180297241 1035649797 /nfs/dbraw/zinc/64/97/97/1035649797.db2.gz UHKXWTJUVFJIHL-LJQANCHMSA-N 1 1 317.392 3.654 20 30 DHEDMO C#CC[N@H+](Cc1cnc2onc(C)c2c1)[C@@H]1CCc2ccccc21 ZINC001180297241 1035649804 /nfs/dbraw/zinc/64/98/04/1035649804.db2.gz UHKXWTJUVFJIHL-LJQANCHMSA-N 1 1 317.392 3.654 20 30 DHEDMO C=CCC1(C(=O)N2CCC(C[N@H+](C)CCCC)CC2)CCC1 ZINC000191688735 1035720431 /nfs/dbraw/zinc/72/04/31/1035720431.db2.gz GSOHOBLEWGFHGD-UHFFFAOYSA-N 1 1 306.494 3.703 20 30 DHEDMO CC(C)[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)N1CCC(C)CC1 ZINC000539499724 1035752911 /nfs/dbraw/zinc/75/29/11/1035752911.db2.gz NORNQJAUBHIMFD-XLIONFOSSA-N 1 1 313.489 3.965 20 30 DHEDMO C=CC[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000494657648 1035760852 /nfs/dbraw/zinc/76/08/52/1035760852.db2.gz UVRDAIOKKKLMKY-IBGZPJMESA-N 1 1 300.446 3.542 20 30 DHEDMO C=CC[N@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000494657648 1035760867 /nfs/dbraw/zinc/76/08/67/1035760867.db2.gz UVRDAIOKKKLMKY-IBGZPJMESA-N 1 1 300.446 3.542 20 30 DHEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC001193870644 1035762067 /nfs/dbraw/zinc/76/20/67/1035762067.db2.gz HAZRYYGMQKKNFN-QGZVFWFLSA-N 1 1 306.837 3.993 20 30 DHEDMO C=CC[N@@H+](C)CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000494657653 1035763546 /nfs/dbraw/zinc/76/35/46/1035763546.db2.gz UVRDAIOKKKLMKY-LJQANCHMSA-N 1 1 300.446 3.542 20 30 DHEDMO C=CC[N@H+](C)CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000494657653 1035763563 /nfs/dbraw/zinc/76/35/63/1035763563.db2.gz UVRDAIOKKKLMKY-LJQANCHMSA-N 1 1 300.446 3.542 20 30 DHEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000494686347 1035771415 /nfs/dbraw/zinc/77/14/15/1035771415.db2.gz BWRGNFSFDWNRGL-MRXNPFEDSA-N 1 1 324.424 3.710 20 30 DHEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000494686347 1035771433 /nfs/dbraw/zinc/77/14/33/1035771433.db2.gz BWRGNFSFDWNRGL-MRXNPFEDSA-N 1 1 324.424 3.710 20 30 DHEDMO C=CC[N@H+](CCCOc1cccc(C(C)(C)C)c1)CCOC ZINC001193990637 1035778063 /nfs/dbraw/zinc/77/80/63/1035778063.db2.gz PAFOBHFTDBJCGW-UHFFFAOYSA-N 1 1 305.462 3.887 20 30 DHEDMO Cc1ccccc1[C@@H]([C@@H](C)NCC#Cc1ccccc1)[NH+](C)C ZINC001180943707 1035793358 /nfs/dbraw/zinc/79/33/58/1035793358.db2.gz PWOKJTSUKRNNTO-WIYYLYMNSA-N 1 1 306.453 3.628 20 30 DHEDMO CC(C)c1cccc2c1CC[N@@H+](C[C@H](O)c1cccc(C#N)c1)C2 ZINC001194042234 1035810668 /nfs/dbraw/zinc/81/06/68/1035810668.db2.gz PECNQPZONYIPOX-NRFANRHFSA-N 1 1 320.436 3.773 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000539669509 1035823111 /nfs/dbraw/zinc/82/31/11/1035823111.db2.gz UQJKHLOPGYNPNC-GOSISDBHSA-N 1 1 301.430 3.642 20 30 DHEDMO C[C@H](C#N)c1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2)cc1 ZINC001181139411 1035850974 /nfs/dbraw/zinc/85/09/74/1035850974.db2.gz GCCZJQUNYQABGY-MRXNPFEDSA-N 1 1 321.424 3.774 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(OC(F)F)cc1 ZINC001194161628 1035855358 /nfs/dbraw/zinc/85/53/58/1035855358.db2.gz APUBKSBASKRTTR-UHFFFAOYSA-N 1 1 301.336 3.923 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001194270529 1035897381 /nfs/dbraw/zinc/89/73/81/1035897381.db2.gz YOIDNMPTZKNPNH-QYZOEREBSA-N 1 1 317.477 3.800 20 30 DHEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000149132737 1035915602 /nfs/dbraw/zinc/91/56/02/1035915602.db2.gz XAKHSBDMNYYOQU-UKSYNSBOSA-N 1 1 317.436 3.582 20 30 DHEDMO CC(C)C[C@]1(C)CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001194533532 1035954100 /nfs/dbraw/zinc/95/41/00/1035954100.db2.gz CRWSROYIPWBTOP-KRWDZBQOSA-N 1 1 301.390 3.867 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000540057413 1035961183 /nfs/dbraw/zinc/96/11/83/1035961183.db2.gz OTWVQYMTQHVKFS-HNNXBMFYSA-N 1 1 308.425 3.667 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000540057413 1035961191 /nfs/dbraw/zinc/96/11/91/1035961191.db2.gz OTWVQYMTQHVKFS-HNNXBMFYSA-N 1 1 308.425 3.667 20 30 DHEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@](C)(c3ccccc3)CC2)nn1 ZINC001181698250 1035975059 /nfs/dbraw/zinc/97/50/59/1035975059.db2.gz RLWASPVWCYTKOK-HXUWFJFHSA-N 1 1 324.472 3.798 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC001194704880 1035985040 /nfs/dbraw/zinc/98/50/40/1035985040.db2.gz YIIRZWZWDQYLAU-IBGZPJMESA-N 1 1 303.446 3.774 20 30 DHEDMO C=CCC[C@H]([NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1)C(=O)OCC ZINC001181826730 1036007418 /nfs/dbraw/zinc/00/74/18/1036007418.db2.gz GRHDCJQLVMFQGB-VKJFTORMSA-N 1 1 319.445 3.675 20 30 DHEDMO C[N@@H+](CCCCOC(C)(C)C)CCOCc1ccc(C#N)cc1 ZINC001194791789 1036021326 /nfs/dbraw/zinc/02/13/26/1036021326.db2.gz OSGVEDMIBWRTQI-UHFFFAOYSA-N 1 1 318.461 3.602 20 30 DHEDMO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1sc2ccccc2c1C#N ZINC001181995890 1036067055 /nfs/dbraw/zinc/06/70/55/1036067055.db2.gz YHOOHDNVSGUMSA-CQSZACIVSA-N 1 1 313.426 3.586 20 30 DHEDMO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1sc2ccccc2c1C#N ZINC001181995890 1036067069 /nfs/dbraw/zinc/06/70/69/1036067069.db2.gz YHOOHDNVSGUMSA-CQSZACIVSA-N 1 1 313.426 3.586 20 30 DHEDMO Oc1ccc(Cl)cc1/C=N\CC[N@H+]1CCc2ccccc2C1 ZINC000914557606 1036104275 /nfs/dbraw/zinc/10/42/75/1036104275.db2.gz UNQCKLZGZCJUIZ-NDENLUEZSA-N 1 1 314.816 3.523 20 30 DHEDMO C[C@H]([NH2+]CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000540597261 1036109680 /nfs/dbraw/zinc/10/96/80/1036109680.db2.gz MVLZOESPVDLJJN-ZACQAIPSSA-N 1 1 313.489 3.965 20 30 DHEDMO C#CC[N@H+](Cc1ccc2c(c1)ncn2C)[C@@H]1CCc2ccccc21 ZINC000775631735 1036119668 /nfs/dbraw/zinc/11/96/68/1036119668.db2.gz VBFUOOKDZIRNHY-HXUWFJFHSA-N 1 1 315.420 3.696 20 30 DHEDMO CC[C@H](C/N=C\c1ccccc1O)[N@H+]1CCc2ccccc2C1 ZINC000914701127 1036250977 /nfs/dbraw/zinc/25/09/77/1036250977.db2.gz AGGSUEQTGXHWPR-UOIFGXKSSA-N 1 1 308.425 3.648 20 30 DHEDMO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000775661708 1036280251 /nfs/dbraw/zinc/28/02/51/1036280251.db2.gz DDUMUZKFPUIBIN-ARFHVFGLSA-N 1 1 308.466 3.578 20 30 DHEDMO CCC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000541348496 1036305805 /nfs/dbraw/zinc/30/58/05/1036305805.db2.gz PCVWNWQKLKBLLG-IPMKNSEASA-N 1 1 312.457 3.778 20 30 DHEDMO Cc1cc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)ccc1C#N ZINC000487859706 1036338377 /nfs/dbraw/zinc/33/83/77/1036338377.db2.gz MCEIURXXUDRPHW-UZLBHIALSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)ccc1C#N ZINC000487859706 1036338391 /nfs/dbraw/zinc/33/83/91/1036338391.db2.gz MCEIURXXUDRPHW-UZLBHIALSA-N 1 1 306.409 3.829 20 30 DHEDMO C#CC[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C)c1ccccc1 ZINC000774464532 1036346107 /nfs/dbraw/zinc/34/61/07/1036346107.db2.gz XOVCRFGCGWGWGF-NVXWUHKLSA-N 1 1 303.409 3.989 20 30 DHEDMO Cc1ccc2c(c1)C[N@H+](CCCOc1ccc(C#N)cc1)CC2 ZINC001195912353 1036383602 /nfs/dbraw/zinc/38/36/02/1036383602.db2.gz ZMUSGTFGINBTID-UHFFFAOYSA-N 1 1 306.409 3.694 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC001182542772 1036384102 /nfs/dbraw/zinc/38/41/02/1036384102.db2.gz FYWCWNPENJJPCF-INIZCTEOSA-N 1 1 311.404 3.555 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC001182542776 1036384479 /nfs/dbraw/zinc/38/44/79/1036384479.db2.gz FYWCWNPENJJPCF-MRXNPFEDSA-N 1 1 311.404 3.555 20 30 DHEDMO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)c(C)c2)c1C ZINC000486796926 1036415703 /nfs/dbraw/zinc/41/57/03/1036415703.db2.gz CJRJUXYCNZCRKJ-UHFFFAOYSA-N 1 1 321.424 3.554 20 30 DHEDMO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)c(C)c2)c1C ZINC000486796926 1036415706 /nfs/dbraw/zinc/41/57/06/1036415706.db2.gz CJRJUXYCNZCRKJ-UHFFFAOYSA-N 1 1 321.424 3.554 20 30 DHEDMO C=CCSCC[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000541742137 1036419714 /nfs/dbraw/zinc/41/97/14/1036419714.db2.gz ZSSATHLEKWAWTH-INIZCTEOSA-N 1 1 321.877 3.672 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000774541366 1036444730 /nfs/dbraw/zinc/44/47/30/1036444730.db2.gz NKCKKPJFJPNQFK-KRWDZBQOSA-N 1 1 302.462 3.952 20 30 DHEDMO CC#CCCCCCCCC(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001182771697 1036454909 /nfs/dbraw/zinc/45/49/09/1036454909.db2.gz HFRTZRJAAPFHBI-LDLYASANSA-N 1 1 318.505 3.872 20 30 DHEDMO C#CCCc1noc([C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000762010188 1036461805 /nfs/dbraw/zinc/46/18/05/1036461805.db2.gz GZLYDDQJUARESD-HNNXBMFYSA-N 1 1 324.428 3.610 20 30 DHEDMO CC[N@@H+](CC#CCOC)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001196314047 1036494395 /nfs/dbraw/zinc/49/43/95/1036494395.db2.gz VWOKSKVRUYBZIX-CQSZACIVSA-N 1 1 313.363 3.608 20 30 DHEDMO C#CCC[N@@H+](CCOC)Cc1cc(Cl)cc(Cl)c1F ZINC001196394327 1036518693 /nfs/dbraw/zinc/51/86/93/1036518693.db2.gz XIFXCGUYBDPURR-UHFFFAOYSA-N 1 1 304.192 3.604 20 30 DHEDMO C#CCC[N@H+](CCOC)Cc1cc(Cl)cc(Cl)c1F ZINC001196394327 1036518703 /nfs/dbraw/zinc/51/87/03/1036518703.db2.gz XIFXCGUYBDPURR-UHFFFAOYSA-N 1 1 304.192 3.604 20 30 DHEDMO C=C(C)COc1cc(C[NH2+]Cc2ncc(C)s2)ccc1OC ZINC000174573536 1036531554 /nfs/dbraw/zinc/53/15/54/1036531554.db2.gz RODYGIICPHIISS-UHFFFAOYSA-N 1 1 318.442 3.705 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929726672 1036532971 /nfs/dbraw/zinc/53/29/71/1036532971.db2.gz TXTDJAAQFSGFTO-KLAILNCOSA-N 1 1 300.446 3.888 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001183179536 1036535038 /nfs/dbraw/zinc/53/50/38/1036535038.db2.gz FZFPFLYOYHISGN-UHFFFAOYSA-N 1 1 312.800 3.670 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC001183179793 1036535116 /nfs/dbraw/zinc/53/51/16/1036535116.db2.gz IKDNQMWPFBPFNG-FPOVZHCZSA-N 1 1 302.421 3.914 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)C[C@H]1CC1(C)C ZINC001196468074 1036538661 /nfs/dbraw/zinc/53/86/61/1036538661.db2.gz CIFUDWDQWAGUBE-LSDHHAIUSA-N 1 1 320.502 3.629 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1nc2ccc(F)cc2o1 ZINC000491397891 1036567197 /nfs/dbraw/zinc/56/71/97/1036567197.db2.gz QZRMQOYXQPARBM-UHFFFAOYSA-N 1 1 300.333 3.791 20 30 DHEDMO CCc1cnc(C[NH2+]Cc2cccc(OCCCC#N)c2)s1 ZINC000174626044 1036586606 /nfs/dbraw/zinc/58/66/06/1036586606.db2.gz JPZBJRYJFSAJJQ-UHFFFAOYSA-N 1 1 315.442 3.678 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000491664975 1036623041 /nfs/dbraw/zinc/62/30/41/1036623041.db2.gz IHYDQSBPESMFRQ-MRXNPFEDSA-N 1 1 306.409 3.636 20 30 DHEDMO C=CCOCC[N@@H+]1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC001196842271 1036624952 /nfs/dbraw/zinc/62/49/52/1036624952.db2.gz QPGRISZFTZPHFA-HIFRSBDPSA-N 1 1 324.262 3.830 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@](COC)(C(=O)OC(C)(C)C)C1 ZINC001196820147 1036626183 /nfs/dbraw/zinc/62/61/83/1036626183.db2.gz ZPSDPGCAMCKIPF-GOSISDBHSA-N 1 1 313.482 3.637 20 30 DHEDMO CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000030143976 1036630591 /nfs/dbraw/zinc/63/05/91/1036630591.db2.gz GDJBSCDBKFMNPO-STQMWFEESA-N 1 1 319.836 3.661 20 30 DHEDMO CC[N@@H+](CCNc1ccc(C#N)c(Cl)c1)CCC(F)(F)F ZINC000491810664 1036648532 /nfs/dbraw/zinc/64/85/32/1036648532.db2.gz JRMXRAZABKPGHJ-UHFFFAOYSA-N 1 1 319.758 3.898 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cc(Cl)cc(C#N)c1 ZINC001197113807 1036691162 /nfs/dbraw/zinc/69/11/62/1036691162.db2.gz CJMLCBCDKDSLEP-UHFFFAOYSA-N 1 1 309.800 3.758 20 30 DHEDMO C[C@H](CN=Cc1cc2ccccc2[nH]c1=O)[N@H+]1CCCC[C@H]1C ZINC000915271131 1036751917 /nfs/dbraw/zinc/75/19/17/1036751917.db2.gz LBCLZQLDPBXZOL-KSFZUODXSA-N 1 1 311.429 3.622 20 30 DHEDMO C#CC[N@H+](CCCCn1ccnc1C)[C@@H]1CCCc2ccccc21 ZINC001198104915 1036955156 /nfs/dbraw/zinc/95/51/56/1036955156.db2.gz VLZOUVPQRKTORJ-OAQYLSRUSA-N 1 1 321.468 3.985 20 30 DHEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCc1ccc(C#N)cc1 ZINC001198174742 1036967976 /nfs/dbraw/zinc/96/79/76/1036967976.db2.gz WVSBCEFDZQVNFT-LZJOCLMNSA-N 1 1 320.436 3.951 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)ccc1C#N ZINC000488323713 1036971449 /nfs/dbraw/zinc/97/14/49/1036971449.db2.gz ISSBYCDZNXUHSE-GOSISDBHSA-N 1 1 306.409 3.768 20 30 DHEDMO C=CCCCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000175164166 1036998869 /nfs/dbraw/zinc/99/88/69/1036998869.db2.gz VTXSRWXYPHDIKD-UHFFFAOYSA-N 1 1 320.864 3.731 20 30 DHEDMO C=CCCCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000175164166 1036998883 /nfs/dbraw/zinc/99/88/83/1036998883.db2.gz VTXSRWXYPHDIKD-UHFFFAOYSA-N 1 1 320.864 3.731 20 30 DHEDMO Cc1cc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000488434494 1037018090 /nfs/dbraw/zinc/01/80/90/1037018090.db2.gz TVECNRCJPVSZCL-QRWLVFNGSA-N 1 1 324.399 3.968 20 30 DHEDMO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000488434494 1037018108 /nfs/dbraw/zinc/01/81/08/1037018108.db2.gz TVECNRCJPVSZCL-QRWLVFNGSA-N 1 1 324.399 3.968 20 30 DHEDMO C=CCCC[N@H+](CC)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC001198457873 1037025611 /nfs/dbraw/zinc/02/56/11/1037025611.db2.gz NAPHSQTZPIOAOE-UHFFFAOYSA-N 1 1 315.413 3.849 20 30 DHEDMO C=CCCC[N@H+](CC)[C@H]1CCCN(c2ccccc2F)C1=O ZINC001198458521 1037027593 /nfs/dbraw/zinc/02/75/93/1037027593.db2.gz SLAOHKBTLQCREU-KRWDZBQOSA-N 1 1 304.409 3.609 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000044089738 1037042701 /nfs/dbraw/zinc/04/27/01/1037042701.db2.gz KDTHEBPQVUCRSJ-OAHLLOKOSA-N 1 1 312.413 3.626 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000044089738 1037042716 /nfs/dbraw/zinc/04/27/16/1037042716.db2.gz KDTHEBPQVUCRSJ-OAHLLOKOSA-N 1 1 312.413 3.626 20 30 DHEDMO C#C[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198527199 1037050830 /nfs/dbraw/zinc/05/08/30/1037050830.db2.gz YYMFUCKVNKMIEH-DLBZAZTESA-N 1 1 320.477 3.511 20 30 DHEDMO C#CCCCCCC[N@@H+]1CCCN(c2ccccc2OC)CC1 ZINC001198632428 1037086951 /nfs/dbraw/zinc/08/69/51/1037086951.db2.gz CQHHOPYIGQYKMQ-UHFFFAOYSA-N 1 1 314.473 3.791 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCC[C@H]1C ZINC000487983971 1037088759 /nfs/dbraw/zinc/08/87/59/1037088759.db2.gz XWOPQPLRXOABJZ-CXAGYDPISA-N 1 1 306.837 3.849 20 30 DHEDMO Cc1ccc(-c2nnc(C[NH+]3CCC(CCC#N)CC3)o2)cc1 ZINC000570276329 1037179015 /nfs/dbraw/zinc/17/90/15/1037179015.db2.gz HAFDRHVOLGXUMG-UHFFFAOYSA-N 1 1 310.401 3.561 20 30 DHEDMO CC[N@H+](Cc1ccc(C#N)c(C)c1)C[C@@H](O)c1ccc(C)cc1 ZINC000774910225 1037202024 /nfs/dbraw/zinc/20/20/24/1037202024.db2.gz UKARIGNOOGPSQZ-HXUWFJFHSA-N 1 1 308.425 3.731 20 30 DHEDMO N#CC1(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)CC1 ZINC000775973390 1037265862 /nfs/dbraw/zinc/26/58/62/1037265862.db2.gz BWYATJNIYMMONR-MRXNPFEDSA-N 1 1 312.438 3.587 20 30 DHEDMO N#CC1(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)CC1 ZINC000775973390 1037265883 /nfs/dbraw/zinc/26/58/83/1037265883.db2.gz BWYATJNIYMMONR-MRXNPFEDSA-N 1 1 312.438 3.587 20 30 DHEDMO N#CC1(CCCC[N@H+](CCO)[C@@H]2CCc3ccccc32)CCC1 ZINC000929798591 1037398630 /nfs/dbraw/zinc/39/86/30/1037398630.db2.gz KUNMZHQEIUGHMO-LJQANCHMSA-N 1 1 312.457 3.832 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1OC ZINC000489399110 1037412345 /nfs/dbraw/zinc/41/23/45/1037412345.db2.gz ISIOBYOYMCJYCW-CQSZACIVSA-N 1 1 322.836 3.718 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc2ccccc21 ZINC000489426900 1037424423 /nfs/dbraw/zinc/42/44/23/1037424423.db2.gz NDWMJUKDLXKLCU-QZTJIDSGSA-N 1 1 311.425 3.620 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccnc(Cl)c1F ZINC000824302000 1037439292 /nfs/dbraw/zinc/43/92/92/1037439292.db2.gz KNJWXAMCFRGLSI-AWEZNQCLSA-N 1 1 301.752 3.523 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000489476251 1037452335 /nfs/dbraw/zinc/45/23/35/1037452335.db2.gz NBVCRSHHVJFYDB-LJQANCHMSA-N 1 1 312.457 3.853 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000489494781 1037465950 /nfs/dbraw/zinc/46/59/50/1037465950.db2.gz JYIGPGVHUKHNMK-CJNGLKHVSA-N 1 1 306.837 3.558 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000489494781 1037465962 /nfs/dbraw/zinc/46/59/62/1037465962.db2.gz JYIGPGVHUKHNMK-CJNGLKHVSA-N 1 1 306.837 3.558 20 30 DHEDMO CCSCC[C@H](C)[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245801823 1037573153 /nfs/dbraw/zinc/57/31/53/1037573153.db2.gz XXVPIYHNEIGDNB-LSDHHAIUSA-N 1 1 306.475 3.941 20 30 DHEDMO C[C@H]([N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C ZINC000027133562 1037646003 /nfs/dbraw/zinc/64/60/03/1037646003.db2.gz ZDQNMOLSLAAPOP-NSHDSACASA-N 1 1 307.825 3.517 20 30 DHEDMO Cc1cc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)ccc1C#N ZINC000488082493 1037685453 /nfs/dbraw/zinc/68/54/53/1037685453.db2.gz YALRITVSYDCISL-NRFANRHFSA-N 1 1 318.420 3.888 20 30 DHEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H](CCO)c1ccccc1 ZINC000153884015 1037694783 /nfs/dbraw/zinc/69/47/83/1037694783.db2.gz ZVWAVGYHZRWIIK-IBGZPJMESA-N 1 1 313.828 3.747 20 30 DHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000916151436 1037702153 /nfs/dbraw/zinc/70/21/53/1037702153.db2.gz ILOFGDSNHCZPJH-GJZGRUSLSA-N 1 1 319.408 3.505 20 30 DHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000916151436 1037702172 /nfs/dbraw/zinc/70/21/72/1037702172.db2.gz ILOFGDSNHCZPJH-GJZGRUSLSA-N 1 1 319.408 3.505 20 30 DHEDMO CC(=[NH+]Nc1cc(C)ccc1C)c1ccc(N2CCOCC2)cc1 ZINC000916345975 1037741176 /nfs/dbraw/zinc/74/11/76/1037741176.db2.gz ROFITQAVEQWKPN-UHFFFAOYSA-N 1 1 323.440 3.976 20 30 DHEDMO Cc1cc(N2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)ncc1C#N ZINC001187904236 1037745848 /nfs/dbraw/zinc/74/58/48/1037745848.db2.gz NQGSFDXLKUPSAC-HNNXBMFYSA-N 1 1 323.444 3.597 20 30 DHEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490594207 1037747207 /nfs/dbraw/zinc/74/72/07/1037747207.db2.gz YCZXFHGOGXGNRD-KBXCAEBGSA-N 1 1 308.429 3.579 20 30 DHEDMO CCCCCCCCS(=O)(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001187994992 1037773867 /nfs/dbraw/zinc/77/38/67/1037773867.db2.gz XNOLGWGFYNMEBX-UHFFFAOYSA-N 1 1 323.462 3.745 20 30 DHEDMO CC(C)C[N@@H+](CCc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763397504 1037818158 /nfs/dbraw/zinc/81/81/58/1037818158.db2.gz NEJRWGKUZDVXHP-NRFANRHFSA-N 1 1 322.452 3.792 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000185938222 1037853632 /nfs/dbraw/zinc/85/36/32/1037853632.db2.gz FOFDVXOTTRGJBE-INIZCTEOSA-N 1 1 302.462 3.616 20 30 DHEDMO C=CCOC(=O)N1CCC2(CCC[N@H+](CCCCC)C2)CC1 ZINC001201725167 1037854362 /nfs/dbraw/zinc/85/43/62/1037854362.db2.gz IWTCNTUJQANHOY-UHFFFAOYSA-N 1 1 308.466 3.677 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2nn(C)cc2[C@@H](COCC2CC2)C1 ZINC001201762447 1037886280 /nfs/dbraw/zinc/88/62/80/1037886280.db2.gz LIPFBNLIWCXUKP-QGZVFWFLSA-N 1 1 319.493 3.716 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001201797925 1037898398 /nfs/dbraw/zinc/89/83/98/1037898398.db2.gz GXQMUCSCRRFIBU-MRXNPFEDSA-N 1 1 320.452 3.990 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@@]2(C1)c1ccccc1N(C)C2=O ZINC001201825635 1037910624 /nfs/dbraw/zinc/91/06/24/1037910624.db2.gz BCVZSJQIAJUBKW-HXUWFJFHSA-N 1 1 314.473 3.967 20 30 DHEDMO CCCCCCCC[N@H+]1CCc2onc(Cn3cccn3)c2C1 ZINC001201825904 1037912118 /nfs/dbraw/zinc/91/21/18/1037912118.db2.gz HTNCIUKAPLGWFI-UHFFFAOYSA-N 1 1 316.449 3.638 20 30 DHEDMO CCCCCCCCC[N@@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC001201838637 1037919034 /nfs/dbraw/zinc/91/90/34/1037919034.db2.gz AGDKPPGLUTXYPL-HDICACEKSA-N 1 1 316.493 3.595 20 30 DHEDMO Clc1cccc(C#CC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186700652 1037926184 /nfs/dbraw/zinc/92/61/84/1037926184.db2.gz DHQWFCPVEUVTPY-FQEVSTJZSA-N 1 1 323.823 3.823 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186700652 1037926195 /nfs/dbraw/zinc/92/61/95/1037926195.db2.gz DHQWFCPVEUVTPY-FQEVSTJZSA-N 1 1 323.823 3.823 20 30 DHEDMO C#C[C@H](C)[N@H+](C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000775180227 1037938468 /nfs/dbraw/zinc/93/84/68/1037938468.db2.gz WGTRQPKHXUSJFV-ZDUSSCGKSA-N 1 1 315.848 3.655 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000775180227 1037938476 /nfs/dbraw/zinc/93/84/76/1037938476.db2.gz WGTRQPKHXUSJFV-ZDUSSCGKSA-N 1 1 315.848 3.655 20 30 DHEDMO COc1cccc(OC)c1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000586779264 1037964566 /nfs/dbraw/zinc/96/45/66/1037964566.db2.gz NLYOGNNTTGVBED-UHFFFAOYSA-N 1 1 316.788 3.519 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[NH+]2CCC3(CCC3)CC2)c1C#N ZINC000586783244 1037966120 /nfs/dbraw/zinc/96/61/20/1037966120.db2.gz MPCXQYSGWMHIQK-UHFFFAOYSA-N 1 1 320.440 3.819 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)c(F)c1 ZINC000586789918 1037971201 /nfs/dbraw/zinc/97/12/01/1037971201.db2.gz QJKPUZHSJKMECX-QGZVFWFLSA-N 1 1 312.392 3.832 20 30 DHEDMO CCc1nc(C)c(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)o1 ZINC000494315137 1038052684 /nfs/dbraw/zinc/05/26/84/1038052684.db2.gz QUUIMCYGWKVZGD-UHFFFAOYSA-N 1 1 323.318 3.726 20 30 DHEDMO Cc1ccccc1OCC[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000916973802 1038099378 /nfs/dbraw/zinc/09/93/78/1038099378.db2.gz YGZYGAJHTNMTBU-UHFFFAOYSA-N 1 1 324.424 3.646 20 30 DHEDMO C=CC[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C(C)C ZINC000917069760 1038168225 /nfs/dbraw/zinc/16/82/25/1038168225.db2.gz UXNLODONNFBJBE-GFCCVEGCSA-N 1 1 318.244 3.630 20 30 DHEDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000571689514 1038180037 /nfs/dbraw/zinc/18/00/37/1038180037.db2.gz UHHVJUZRRRCGGH-ZBFHGGJFSA-N 1 1 310.445 3.853 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000572038983 1038323219 /nfs/dbraw/zinc/32/32/19/1038323219.db2.gz DZEOTSLBHMPBJM-VQIMIIECSA-N 1 1 305.437 3.797 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001190458128 1038324675 /nfs/dbraw/zinc/32/46/75/1038324675.db2.gz XEMOKZYTXIFRMB-YTQUADARSA-N 1 1 301.430 3.641 20 30 DHEDMO CCC#C[C@H](C)[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001190466508 1038326269 /nfs/dbraw/zinc/32/62/69/1038326269.db2.gz YZFKNSJCNVPDJX-DCAQKATOSA-N 1 1 301.274 3.851 20 30 DHEDMO CCC[C@@H]1CCC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000121381538 1038336643 /nfs/dbraw/zinc/33/66/43/1038336643.db2.gz JMZIEDQMZNGXHI-MRXNPFEDSA-N 1 1 323.444 3.595 20 30 DHEDMO COCC[N@@H+](CCc1ccccc1)Cc1c(C)cc(C#N)cc1C ZINC001190572870 1038346648 /nfs/dbraw/zinc/34/66/48/1038346648.db2.gz YRNFQXYRGAORKJ-UHFFFAOYSA-N 1 1 322.452 3.866 20 30 DHEDMO COCC[N@@H+](CCCc1cccc(C)c1)Cc1ccc(C#N)cc1 ZINC001190802283 1038387686 /nfs/dbraw/zinc/38/76/86/1038387686.db2.gz RJGLTAAIEWHDLL-UHFFFAOYSA-N 1 1 322.452 3.948 20 30 DHEDMO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(C#N)c(Cl)c1 ZINC000591573307 1038391625 /nfs/dbraw/zinc/39/16/25/1038391625.db2.gz IIOIBBDXODAKGB-XJKSGUPXSA-N 1 1 305.853 3.612 20 30 DHEDMO C[C@H](O)C[N@@H+](Cc1cc(Cl)cc(C#N)c1)C1CCCCC1 ZINC001190854135 1038396232 /nfs/dbraw/zinc/39/62/32/1038396232.db2.gz FHVHMSRASLESBX-ZDUSSCGKSA-N 1 1 306.837 3.727 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)c(OC(F)F)c1 ZINC000588978214 1038414852 /nfs/dbraw/zinc/41/48/52/1038414852.db2.gz QDKOWYSANYEYDC-CQSZACIVSA-N 1 1 306.356 3.782 20 30 DHEDMO CCCCCCCNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001191081865 1038434434 /nfs/dbraw/zinc/43/44/34/1038434434.db2.gz DCQZVOJTZJUTEM-SFHVURJKSA-N 1 1 317.477 3.655 20 30 DHEDMO CCCCCCCNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001191081865 1038434439 /nfs/dbraw/zinc/43/44/39/1038434439.db2.gz DCQZVOJTZJUTEM-SFHVURJKSA-N 1 1 317.477 3.655 20 30 DHEDMO CCCCCCCNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC001191081864 1038435393 /nfs/dbraw/zinc/43/53/93/1038435393.db2.gz DCQZVOJTZJUTEM-GOSISDBHSA-N 1 1 317.477 3.655 20 30 DHEDMO CCCCCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001191081864 1038435402 /nfs/dbraw/zinc/43/54/02/1038435402.db2.gz DCQZVOJTZJUTEM-GOSISDBHSA-N 1 1 317.477 3.655 20 30 DHEDMO CC(C)C[C@@H]1CCCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001191113433 1038442177 /nfs/dbraw/zinc/44/21/77/1038442177.db2.gz WLYVRMYYWLVPGR-SFHVURJKSA-N 1 1 313.445 3.787 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000589280509 1038458413 /nfs/dbraw/zinc/45/84/13/1038458413.db2.gz GBKVDALYIKMGBB-HXUWFJFHSA-N 1 1 317.436 3.504 20 30 DHEDMO Cc1ccc([C@H]2CCCC[N@H+]2C[C@@H](O)CC2(C#N)CCC2)cc1 ZINC001191193508 1038458953 /nfs/dbraw/zinc/45/89/53/1038458953.db2.gz MRFCTYUQDKQINM-RBUKOAKNSA-N 1 1 312.457 3.967 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2cnc(C)nc2)cc1 ZINC001168390944 1038482302 /nfs/dbraw/zinc/48/23/02/1038482302.db2.gz IJPVWROAIFUUOJ-IBGZPJMESA-N 1 1 308.429 3.720 20 30 DHEDMO N#Cc1ccc(C[N@@H+](CC2Cc3ccccc3C2)C2CC2)cc1 ZINC000589494941 1038486863 /nfs/dbraw/zinc/48/68/63/1038486863.db2.gz AJECFZUMNATFCE-UHFFFAOYSA-N 1 1 302.421 3.938 20 30 DHEDMO C=C(C)COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000589552928 1038508889 /nfs/dbraw/zinc/50/88/89/1038508889.db2.gz OBGNOYHGQKAYQY-LJQANCHMSA-N 1 1 324.424 3.883 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000589996753 1038562566 /nfs/dbraw/zinc/56/25/66/1038562566.db2.gz VJBJZJWJAGGQNS-DOTOQJQBSA-N 1 1 304.384 3.965 20 30 DHEDMO CCc1nnc(C[NH2+][C@H](CCCC#N)c2ccccc2)s1 ZINC000590122660 1038586611 /nfs/dbraw/zinc/58/66/11/1038586611.db2.gz JWXURPOILPATGL-CQSZACIVSA-N 1 1 300.431 3.625 20 30 DHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2CCC(C)C)c1C#N ZINC001192158810 1038596637 /nfs/dbraw/zinc/59/66/37/1038596637.db2.gz MQLAKQQMLPGUKU-INIZCTEOSA-N 1 1 314.429 3.745 20 30 DHEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)CC3(C#N)CC3)c2C1 ZINC000590214412 1038610490 /nfs/dbraw/zinc/61/04/90/1038610490.db2.gz YALALCSFYQMAEG-UHFFFAOYSA-N 1 1 311.429 3.681 20 30 DHEDMO COCC[N@H+](CCC#N)CC(c1ccccc1)c1ccccc1 ZINC000590349630 1038628767 /nfs/dbraw/zinc/62/87/67/1038628767.db2.gz HAZDSKNULOIWIA-UHFFFAOYSA-N 1 1 308.425 3.681 20 30 DHEDMO COCC[N@@H+](CCC#N)CC(c1ccccc1)c1ccccc1 ZINC000590349630 1038628770 /nfs/dbraw/zinc/62/87/70/1038628770.db2.gz HAZDSKNULOIWIA-UHFFFAOYSA-N 1 1 308.425 3.681 20 30 DHEDMO COc1c(C)cnc(C[N@@H+](C)Cc2ccc(C#N)cc2C)c1C ZINC000590754272 1038698074 /nfs/dbraw/zinc/69/80/74/1038698074.db2.gz MFFRSAOCJRVVJV-UHFFFAOYSA-N 1 1 309.413 3.519 20 30 DHEDMO COc1c(C)c[nH+]c(CN(C)Cc2ccc(C#N)cc2C)c1C ZINC000590754272 1038698083 /nfs/dbraw/zinc/69/80/83/1038698083.db2.gz MFFRSAOCJRVVJV-UHFFFAOYSA-N 1 1 309.413 3.519 20 30 DHEDMO CCOc1cncc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000598679798 1038821341 /nfs/dbraw/zinc/82/13/41/1038821341.db2.gz ZGAXDLJNSYSHGI-UHFFFAOYSA-N 1 1 307.397 3.517 20 30 DHEDMO CCOc1cncc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000598679798 1038821363 /nfs/dbraw/zinc/82/13/63/1038821363.db2.gz ZGAXDLJNSYSHGI-UHFFFAOYSA-N 1 1 307.397 3.517 20 30 DHEDMO CCOc1cncc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000598679070 1038822142 /nfs/dbraw/zinc/82/21/42/1038822142.db2.gz PIHRZOVEHOQLDK-UHFFFAOYSA-N 1 1 309.413 3.763 20 30 DHEDMO CC[N@@H+](CCOc1ccccc1C)Cc1ccc(C#N)cc1F ZINC000061001449 1038847811 /nfs/dbraw/zinc/84/78/11/1038847811.db2.gz FAPKASLJWWHUFR-UHFFFAOYSA-N 1 1 312.388 3.907 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccc(F)cc1 ZINC000061001688 1038850071 /nfs/dbraw/zinc/85/00/71/1038850071.db2.gz YGYKGRQCGHGSJA-IBGZPJMESA-N 1 1 312.388 3.643 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)n1cc(C[N@@H+](C)C2CCCCC2)nn1 ZINC000603235124 1038875442 /nfs/dbraw/zinc/87/54/42/1038875442.db2.gz OIPJDKHJXSKUKP-HNNXBMFYSA-N 1 1 323.444 3.524 20 30 DHEDMO N#Cc1csc(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)n1 ZINC000599022894 1038989788 /nfs/dbraw/zinc/98/97/88/1038989788.db2.gz OFDGPYYBAPXSIU-CQSZACIVSA-N 1 1 303.818 3.835 20 30 DHEDMO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)o2)c2cc(F)ccc2O1 ZINC000593673316 1039032625 /nfs/dbraw/zinc/03/26/25/1039032625.db2.gz FAZQQZGTOOQXBP-OAHLLOKOSA-N 1 1 300.333 3.682 20 30 DHEDMO N#Cc1cnccc1C[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000592060540 1039105049 /nfs/dbraw/zinc/10/50/49/1039105049.db2.gz TVUMJXJWEXNXDQ-UHFFFAOYSA-N 1 1 321.424 3.504 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000592076392 1039119700 /nfs/dbraw/zinc/11/97/00/1039119700.db2.gz ZBSGRUPRVZBARJ-FQEVSTJZSA-N 1 1 305.425 3.941 20 30 DHEDMO COCCCC[C@@H]([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000592121558 1039120234 /nfs/dbraw/zinc/12/02/34/1039120234.db2.gz STWOPZKIZDITEP-LJQANCHMSA-N 1 1 309.413 3.601 20 30 DHEDMO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(CCC#N)CC2)s1 ZINC000592135162 1039127675 /nfs/dbraw/zinc/12/76/75/1039127675.db2.gz ISDBXFHFAXVLDD-UHFFFAOYSA-N 1 1 317.380 3.986 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1C#N ZINC000599336943 1039129930 /nfs/dbraw/zinc/12/99/30/1039129930.db2.gz TZEOBRVXSNSRGX-OAQYLSRUSA-N 1 1 318.420 3.541 20 30 DHEDMO Cc1ccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1C#N ZINC000599336943 1039129944 /nfs/dbraw/zinc/12/99/44/1039129944.db2.gz TZEOBRVXSNSRGX-OAQYLSRUSA-N 1 1 318.420 3.541 20 30 DHEDMO C[C@H]1CC2(C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1)CCOCC2 ZINC000592182456 1039131175 /nfs/dbraw/zinc/13/11/75/1039131175.db2.gz ASXURGSQRNOYQQ-INIZCTEOSA-N 1 1 312.457 3.879 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+](C)CCC(C)(C)C)c(C#N)c1C ZINC000592145229 1039137254 /nfs/dbraw/zinc/13/72/54/1039137254.db2.gz ONTYKMKRRLGWGJ-UHFFFAOYSA-N 1 1 307.463 3.543 20 30 DHEDMO Cc1ccc(C[N@H+](Cc2ccc(C)c(C#N)c2)CC2CC2)cn1 ZINC000599455234 1039160846 /nfs/dbraw/zinc/16/08/46/1039160846.db2.gz JANQHJRYGCOYQB-UHFFFAOYSA-N 1 1 305.425 3.982 20 30 DHEDMO Cc1ccc(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)cc1C#N ZINC000599431262 1039161167 /nfs/dbraw/zinc/16/11/67/1039161167.db2.gz BXOUCQICSZASRF-GOSISDBHSA-N 1 1 314.816 3.686 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000592168619 1039163116 /nfs/dbraw/zinc/16/31/16/1039163116.db2.gz SWIGOUTVJXYKOQ-NHCUHLMSSA-N 1 1 320.436 3.516 20 30 DHEDMO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783301569 1039200162 /nfs/dbraw/zinc/20/01/62/1039200162.db2.gz YPLJKPISXAGSTB-NSHDSACASA-N 1 1 314.458 3.867 20 30 DHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)c1 ZINC000603868011 1039203238 /nfs/dbraw/zinc/20/32/38/1039203238.db2.gz ISTJRZDKRBLAGZ-IBGZPJMESA-N 1 1 306.409 3.774 20 30 DHEDMO C[C@H](C#N)C[NH2+]Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC000592507606 1039221872 /nfs/dbraw/zinc/22/18/72/1039221872.db2.gz TVPUAILXRKJSHR-CYBMUJFWSA-N 1 1 316.351 3.793 20 30 DHEDMO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522783 1039224231 /nfs/dbraw/zinc/22/42/31/1039224231.db2.gz RVIPSXAYMMAQHA-UZLBHIALSA-N 1 1 314.473 3.513 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000599621382 1039228387 /nfs/dbraw/zinc/22/83/87/1039228387.db2.gz LEWIESCBXCSLES-DLBZAZTESA-N 1 1 318.436 3.694 20 30 DHEDMO CCOCC[N@@H+](CCC(C)(C)C#N)[C@@H]1CCc2ccccc21 ZINC000599625040 1039250084 /nfs/dbraw/zinc/25/00/84/1039250084.db2.gz FRGCRASUVAFLPM-GOSISDBHSA-N 1 1 300.446 3.952 20 30 DHEDMO C/C=C/C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000599690240 1039261575 /nfs/dbraw/zinc/26/15/75/1039261575.db2.gz LZQUOYYHUZRKPL-WOMSROEHSA-N 1 1 322.412 3.786 20 30 DHEDMO C/C=C/C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000599692805 1039261743 /nfs/dbraw/zinc/26/17/43/1039261743.db2.gz XWMCPDHYHMHSMC-MEGKRXCUSA-N 1 1 311.429 3.563 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679288 1039265619 /nfs/dbraw/zinc/26/56/19/1039265619.db2.gz XRKIRHHDIMNFCL-HNNXBMFYSA-N 1 1 301.393 3.744 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)cc1F ZINC000599679792 1039266919 /nfs/dbraw/zinc/26/69/19/1039266919.db2.gz PBMDXNFJHDZFDI-KRWDZBQOSA-N 1 1 310.372 3.695 20 30 DHEDMO COC[C@H](C)[N@@H+](CCCSCC#N)[C@@H]1CCc2ccccc21 ZINC000599684134 1039268766 /nfs/dbraw/zinc/26/87/66/1039268766.db2.gz VKWCBMGQPLBNEN-MAUKXSAKSA-N 1 1 318.486 3.658 20 30 DHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC23CCCC3)cc1Cl ZINC000593038671 1039366479 /nfs/dbraw/zinc/36/64/79/1039366479.db2.gz LSUPRJCKRVLRCP-UHFFFAOYSA-N 1 1 317.820 3.559 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC23CCCC3)c1C#N ZINC000593039583 1039369060 /nfs/dbraw/zinc/36/90/60/1039369060.db2.gz UATPOUFTPRTAHN-UHFFFAOYSA-N 1 1 306.413 3.571 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC23CCCC3)c1C#N ZINC000593039583 1039369076 /nfs/dbraw/zinc/36/90/76/1039369076.db2.gz UATPOUFTPRTAHN-UHFFFAOYSA-N 1 1 306.413 3.571 20 30 DHEDMO CC(C)c1nc(C[NH2+]Cc2ccc(CC#N)cc2)c2ccccn21 ZINC000593636322 1039572411 /nfs/dbraw/zinc/57/24/11/1039572411.db2.gz UHGOVNBTODIUKN-UHFFFAOYSA-N 1 1 318.424 3.814 20 30 DHEDMO Cc1cccc2nc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)[nH]c21 ZINC000594500479 1039801241 /nfs/dbraw/zinc/80/12/41/1039801241.db2.gz NINKRMHDRMLPFH-UHFFFAOYSA-N 1 1 318.424 3.962 20 30 DHEDMO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cc2n(n1)CCCC2 ZINC000594517207 1039824186 /nfs/dbraw/zinc/82/41/86/1039824186.db2.gz IAUXPGUCCQJGEM-HNNXBMFYSA-N 1 1 320.440 3.821 20 30 DHEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)o1 ZINC000594519795 1039825635 /nfs/dbraw/zinc/82/56/35/1039825635.db2.gz LMWDPPPJKPOTPJ-UHFFFAOYSA-N 1 1 322.286 3.829 20 30 DHEDMO CC1(C)CCCN(c2cc[nH+]c(N[C@H]3CC[C@@H](CC#N)C3)n2)C1 ZINC000594581075 1039862286 /nfs/dbraw/zinc/86/22/86/1039862286.db2.gz LKNQUMLDPPGBSV-GJZGRUSLSA-N 1 1 313.449 3.597 20 30 DHEDMO C=C(Br)C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000158093460 1039942498 /nfs/dbraw/zinc/94/24/98/1039942498.db2.gz CIYNALGAEAENCU-UHFFFAOYSA-N 1 1 312.104 3.843 20 30 DHEDMO COC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(C)o1 ZINC000594941290 1039958256 /nfs/dbraw/zinc/95/82/56/1039958256.db2.gz RMHXJARSBHXQGZ-KRWDZBQOSA-N 1 1 310.397 3.621 20 30 DHEDMO N#CCCCOc1cccc(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000594981989 1039998604 /nfs/dbraw/zinc/99/86/04/1039998604.db2.gz WNVKHRDNXWWBJM-UHFFFAOYSA-N 1 1 311.429 3.933 20 30 DHEDMO N#CC1(C[NH2+]C2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000594993798 1040009525 /nfs/dbraw/zinc/00/95/25/1040009525.db2.gz HBLJHFDFEXGJSU-UHFFFAOYSA-N 1 1 311.473 3.715 20 30 DHEDMO C=CCCSCC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000595060184 1040024932 /nfs/dbraw/zinc/02/49/32/1040024932.db2.gz UDGVHCCCJRAYSB-MJGOQNOKSA-N 1 1 318.530 3.796 20 30 DHEDMO C=CCCCCCN(C)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000606923714 1040043664 /nfs/dbraw/zinc/04/36/64/1040043664.db2.gz LRWHNBAYTALQIL-QGZVFWFLSA-N 1 1 309.498 3.639 20 30 DHEDMO C=CC[N@H+](CCOc1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000059423169 1040044133 /nfs/dbraw/zinc/04/41/33/1040044133.db2.gz WGCROHQEEGEJII-UHFFFAOYSA-N 1 1 322.408 3.634 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc2c(n1)CCC2 ZINC000574855824 1040059373 /nfs/dbraw/zinc/05/93/73/1040059373.db2.gz AVBFFIMOJCYJFY-CTNGQTDRSA-N 1 1 317.436 3.842 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc2c(n1)CCC2 ZINC000574855824 1040059394 /nfs/dbraw/zinc/05/93/94/1040059394.db2.gz AVBFFIMOJCYJFY-CTNGQTDRSA-N 1 1 317.436 3.842 20 30 DHEDMO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC1(C#N)CCCCC1 ZINC000595091389 1040080089 /nfs/dbraw/zinc/08/00/89/1040080089.db2.gz PYYCEWRYUJQFLC-HNNXBMFYSA-N 1 1 302.393 3.885 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000595333588 1040099413 /nfs/dbraw/zinc/09/94/13/1040099413.db2.gz KRHJODYIWDUDCS-RTWAWAEBSA-N 1 1 315.420 3.873 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595329530 1040100673 /nfs/dbraw/zinc/10/06/73/1040100673.db2.gz UEOHRXVLIDFEAD-GOSISDBHSA-N 1 1 306.409 3.599 20 30 DHEDMO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593016117 1040129677 /nfs/dbraw/zinc/12/96/77/1040129677.db2.gz IDYFRGWFHUVFIJ-QGZVFWFLSA-N 1 1 324.384 3.532 20 30 DHEDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593016117 1040129685 /nfs/dbraw/zinc/12/96/85/1040129685.db2.gz IDYFRGWFHUVFIJ-QGZVFWFLSA-N 1 1 324.384 3.532 20 30 DHEDMO C=CC[N@H+](CCOc1ccccc1F)Cc1cccc(C#N)c1 ZINC000063300779 1040182726 /nfs/dbraw/zinc/18/27/26/1040182726.db2.gz YJIQMYRQBJWTCA-UHFFFAOYSA-N 1 1 310.372 3.764 20 30 DHEDMO C[C@H](CCC#N)[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595619323 1040192899 /nfs/dbraw/zinc/19/28/99/1040192899.db2.gz XUSFYDKMLHZOPY-PBHICJAKSA-N 1 1 314.429 3.620 20 30 DHEDMO CC(C)(C)OC(=O)c1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595622463 1040196145 /nfs/dbraw/zinc/19/61/45/1040196145.db2.gz AXGHQGHLXZZSTH-OAHLLOKOSA-N 1 1 314.429 3.768 20 30 DHEDMO CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)Cc2ccnc(C#N)c2)CO1 ZINC000595636740 1040199165 /nfs/dbraw/zinc/19/91/65/1040199165.db2.gz IIOYEOWSSFIQPY-LJQANCHMSA-N 1 1 321.424 3.523 20 30 DHEDMO C[N@H+](CCC(C)(C)C#N)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595747416 1040239640 /nfs/dbraw/zinc/23/96/40/1040239640.db2.gz DIOYLVLXAVIDHE-ZDUSSCGKSA-N 1 1 315.244 3.898 20 30 DHEDMO C[N@@H+](CCC(C)(C)C#N)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000595747416 1040239650 /nfs/dbraw/zinc/23/96/50/1040239650.db2.gz DIOYLVLXAVIDHE-ZDUSSCGKSA-N 1 1 315.244 3.898 20 30 DHEDMO C[C@]1(C#N)CC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000595841383 1040259900 /nfs/dbraw/zinc/25/99/00/1040259900.db2.gz VNZOYDGBWOVWEY-OAHLLOKOSA-N 1 1 312.335 3.710 20 30 DHEDMO C[C@]1(C#N)CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000595841383 1040259912 /nfs/dbraw/zinc/25/99/12/1040259912.db2.gz VNZOYDGBWOVWEY-OAHLLOKOSA-N 1 1 312.335 3.710 20 30 DHEDMO CC#CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000607723973 1040261813 /nfs/dbraw/zinc/26/18/13/1040261813.db2.gz YZBQYVOCGKFEIP-OAQYLSRUSA-N 1 1 321.420 3.675 20 30 DHEDMO CC#CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000607723973 1040261831 /nfs/dbraw/zinc/26/18/31/1040261831.db2.gz YZBQYVOCGKFEIP-OAQYLSRUSA-N 1 1 321.420 3.675 20 30 DHEDMO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1CCc2ccccc21 ZINC000595877830 1040279831 /nfs/dbraw/zinc/27/98/31/1040279831.db2.gz KPDATUALUARHAF-MRXNPFEDSA-N 1 1 321.380 3.628 20 30 DHEDMO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1CCc2ccccc21 ZINC000595877830 1040279849 /nfs/dbraw/zinc/27/98/49/1040279849.db2.gz KPDATUALUARHAF-MRXNPFEDSA-N 1 1 321.380 3.628 20 30 DHEDMO CC1(C)C[N@@H+](CCCC2(C#N)CCOCC2)[C@H]1c1cccnc1 ZINC000596590947 1040503671 /nfs/dbraw/zinc/50/36/71/1040503671.db2.gz REVRBCXFKDBMMG-KRWDZBQOSA-N 1 1 313.445 3.565 20 30 DHEDMO CC1(C)C[N@@H+](CCCOc2cccc(C#N)c2)[C@@H]1c1cccnc1 ZINC000596592438 1040505666 /nfs/dbraw/zinc/50/56/66/1040505666.db2.gz NEYFDBGSBWJNHO-LJQANCHMSA-N 1 1 321.424 3.805 20 30 DHEDMO N#CC1(c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000596636722 1040531142 /nfs/dbraw/zinc/53/11/42/1040531142.db2.gz MDCPPQMKDDGKQX-UHFFFAOYSA-N 1 1 318.420 3.741 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCCC4(CCOCC4)C3)cc2)CC1 ZINC000597010880 1040623790 /nfs/dbraw/zinc/62/37/90/1040623790.db2.gz YESCWPNVRVORRJ-UHFFFAOYSA-N 1 1 310.441 3.634 20 30 DHEDMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012023 1040624940 /nfs/dbraw/zinc/62/49/40/1040624940.db2.gz KNUKPDLCEHCTMI-APWZRJJASA-N 1 1 311.473 3.546 20 30 DHEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012023 1040624949 /nfs/dbraw/zinc/62/49/49/1040624949.db2.gz KNUKPDLCEHCTMI-APWZRJJASA-N 1 1 311.473 3.546 20 30 DHEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012023 1040624954 /nfs/dbraw/zinc/62/49/54/1040624954.db2.gz KNUKPDLCEHCTMI-APWZRJJASA-N 1 1 311.473 3.546 20 30 DHEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012023 1040624957 /nfs/dbraw/zinc/62/49/57/1040624957.db2.gz KNUKPDLCEHCTMI-APWZRJJASA-N 1 1 311.473 3.546 20 30 DHEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000596996319 1040627398 /nfs/dbraw/zinc/62/73/98/1040627398.db2.gz RRZSXXXNMNPFDE-LJQANCHMSA-N 1 1 316.445 3.616 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000596996319 1040627405 /nfs/dbraw/zinc/62/74/05/1040627405.db2.gz RRZSXXXNMNPFDE-LJQANCHMSA-N 1 1 316.445 3.616 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCOc4ccccc4C3)cc2)CC1 ZINC000596991405 1040627463 /nfs/dbraw/zinc/62/74/63/1040627463.db2.gz JVRXRCIJZICPGU-UHFFFAOYSA-N 1 1 304.393 3.636 20 30 DHEDMO C[C@H](C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1)c1nccs1 ZINC000597080497 1040647494 /nfs/dbraw/zinc/64/74/94/1040647494.db2.gz OHIMBZZQGPMIPS-CQSZACIVSA-N 1 1 311.454 3.934 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H]1[C@H]1CCCO1 ZINC000597132876 1040658798 /nfs/dbraw/zinc/65/87/98/1040658798.db2.gz MSROCIVYBWUZLL-MSOLQXFVSA-N 1 1 310.441 3.631 20 30 DHEDMO CCC[N@H+]1Cc2cccc(N[C@@H](C#N)Cc3ccccc3)c2C1 ZINC000608982142 1040659132 /nfs/dbraw/zinc/65/91/32/1040659132.db2.gz ONKNQKWAYHVPKW-GOSISDBHSA-N 1 1 305.425 3.959 20 30 DHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](CC#N)C1 ZINC000597172526 1040667167 /nfs/dbraw/zinc/66/71/67/1040667167.db2.gz CALRKUZMBDXUGD-IBGZPJMESA-N 1 1 313.489 3.770 20 30 DHEDMO CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597172526 1040667194 /nfs/dbraw/zinc/66/71/94/1040667194.db2.gz CALRKUZMBDXUGD-IBGZPJMESA-N 1 1 313.489 3.770 20 30 DHEDMO CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597172526 1040667199 /nfs/dbraw/zinc/66/71/99/1040667199.db2.gz CALRKUZMBDXUGD-IBGZPJMESA-N 1 1 313.489 3.770 20 30 DHEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C12CCC2 ZINC000597151484 1040667664 /nfs/dbraw/zinc/66/76/64/1040667664.db2.gz NBDRHUPOPSVFOC-MSOLQXFVSA-N 1 1 310.441 3.631 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000060466976 1040670379 /nfs/dbraw/zinc/67/03/79/1040670379.db2.gz ONRIABXLDCKLRC-LJQANCHMSA-N 1 1 306.409 3.644 20 30 DHEDMO CC(C)[N@H+](CCC#N)Cc1cccc(OCC(F)(F)F)c1 ZINC000534342097 1040810159 /nfs/dbraw/zinc/81/01/59/1040810159.db2.gz GQUSAXIVTBGPQI-UHFFFAOYSA-N 1 1 300.324 3.752 20 30 DHEDMO CC(C)[N@@H+](CCC#N)Cc1cccc(OCC(F)(F)F)c1 ZINC000534342097 1040810177 /nfs/dbraw/zinc/81/01/77/1040810177.db2.gz GQUSAXIVTBGPQI-UHFFFAOYSA-N 1 1 300.324 3.752 20 30 DHEDMO CCC[N@H+](CC(=O)NC1(C#N)CCCCC1)CC1CCCCC1 ZINC000060598992 1040826633 /nfs/dbraw/zinc/82/66/33/1040826633.db2.gz IXPVFFSYDJKKED-UHFFFAOYSA-N 1 1 319.493 3.621 20 30 DHEDMO C=CCCCC[N@@H+](C)Cc1ncc(Br)cc1F ZINC001231989758 1040946034 /nfs/dbraw/zinc/94/60/34/1040946034.db2.gz UFJTWJOXRRCVMZ-UHFFFAOYSA-N 1 1 301.203 3.771 20 30 DHEDMO C=CCCCC[N@H+](C)Cc1ncc(Br)cc1F ZINC001231989758 1040946050 /nfs/dbraw/zinc/94/60/50/1040946050.db2.gz UFJTWJOXRRCVMZ-UHFFFAOYSA-N 1 1 301.203 3.771 20 30 DHEDMO COc1ccccc1C[N@@H+](C[C@H](C)CCC#N)C[C@@H]1CCCO1 ZINC000602450462 1041028144 /nfs/dbraw/zinc/02/81/44/1041028144.db2.gz VZFZAMDDELEOED-AEFFLSMTSA-N 1 1 316.445 3.616 20 30 DHEDMO COc1cc2c(cc1OC)[C@@H]([N@@H+](C)Cc1cccc(C#N)c1)CC2 ZINC000602442395 1041032315 /nfs/dbraw/zinc/03/23/15/1041032315.db2.gz YEZUZXXVDNFINB-SFHVURJKSA-N 1 1 322.408 3.695 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000602435938 1041033071 /nfs/dbraw/zinc/03/30/71/1041033071.db2.gz MDFOUNVAWSXKEO-LBPRGKRZSA-N 1 1 300.324 3.957 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000602439992 1041033547 /nfs/dbraw/zinc/03/35/47/1041033547.db2.gz IFHJKINPGGHPAI-NSHDSACASA-N 1 1 313.214 3.960 20 30 DHEDMO CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@H](C)CCC#N ZINC000602482977 1041053977 /nfs/dbraw/zinc/05/39/77/1041053977.db2.gz HRGOTEJMNFFTDI-WBVHZDCISA-N 1 1 302.418 3.553 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000602486915 1041058067 /nfs/dbraw/zinc/05/80/67/1041058067.db2.gz REKQANOAUICREN-LPHOPBHVSA-N 1 1 300.446 3.688 20 30 DHEDMO C[C@H](CCC#N)CNc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000602497024 1041059377 /nfs/dbraw/zinc/05/93/77/1041059377.db2.gz GSMRIAKRMBERGA-ZACQAIPSSA-N 1 1 315.461 3.648 20 30 DHEDMO C[C@@H](CCC#N)CNc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000602497022 1041060589 /nfs/dbraw/zinc/06/05/89/1041060589.db2.gz GSMRIAKRMBERGA-YESZJQIVSA-N 1 1 315.461 3.648 20 30 DHEDMO N#CCCCCNc1[nH+]cnc2c1ccn2Cc1ccccc1F ZINC001168426918 1041073467 /nfs/dbraw/zinc/07/34/67/1041073467.db2.gz GCBKLIPMPDXTNY-UHFFFAOYSA-N 1 1 323.375 3.724 20 30 DHEDMO N#CC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000602548444 1041085531 /nfs/dbraw/zinc/08/55/31/1041085531.db2.gz XDOKNLIBSXBSGF-BKDYDCAMSA-N 1 1 323.484 3.854 20 30 DHEDMO COC(=O)c1csc(C[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000602583598 1041113693 /nfs/dbraw/zinc/11/36/93/1041113693.db2.gz RVQFZVGSBSKSJN-MRXNPFEDSA-N 1 1 314.410 3.669 20 30 DHEDMO CCC[N@@H+](C[C@H](C)CCC#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000602640264 1041126998 /nfs/dbraw/zinc/12/69/98/1041126998.db2.gz LJIUFOLQXVEVBM-WBVHZDCISA-N 1 1 315.461 3.974 20 30 DHEDMO C[C@@H](CCC#N)CNc1ccc(C[NH+](C)C)c(Br)c1 ZINC000602627012 1041137834 /nfs/dbraw/zinc/13/78/34/1041137834.db2.gz OMROYVURMGGNGC-LBPRGKRZSA-N 1 1 324.266 3.862 20 30 DHEDMO COCC[N@H+](Cc1ccc(F)c(Cl)c1)C[C@H](C)CCC#N ZINC000602682257 1041161331 /nfs/dbraw/zinc/16/13/31/1041161331.db2.gz PIALOXBLOJNUIP-CYBMUJFWSA-N 1 1 312.816 3.867 20 30 DHEDMO N#CCC1(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000602772020 1041203749 /nfs/dbraw/zinc/20/37/49/1041203749.db2.gz FZDBOIQCRJYVDW-MRXNPFEDSA-N 1 1 322.412 3.957 20 30 DHEDMO N#CCC1(C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000602772020 1041203761 /nfs/dbraw/zinc/20/37/61/1041203761.db2.gz FZDBOIQCRJYVDW-MRXNPFEDSA-N 1 1 322.412 3.957 20 30 DHEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC2(CC#N)CC2)c1 ZINC000602765028 1041212135 /nfs/dbraw/zinc/21/21/35/1041212135.db2.gz ACXSHNMNFKEMAK-MRXNPFEDSA-N 1 1 300.402 3.535 20 30 DHEDMO C[N@@H+](CC1(CC#N)CC1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000602808597 1041231296 /nfs/dbraw/zinc/23/12/96/1041231296.db2.gz MPQMXTRGQGEDHW-DLBZAZTESA-N 1 1 302.393 3.671 20 30 DHEDMO CCC[N@@H+](CC1(CC#N)CC1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000602823422 1041243369 /nfs/dbraw/zinc/24/33/69/1041243369.db2.gz KSPHOGGAAKGSRJ-MRXNPFEDSA-N 1 1 313.445 3.810 20 30 DHEDMO Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3(CC#N)CC3)C2)s1 ZINC000602828822 1041249600 /nfs/dbraw/zinc/24/96/00/1041249600.db2.gz UZIYVBRJNNQPEL-INIZCTEOSA-N 1 1 317.502 3.504 20 30 DHEDMO Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3(CC#N)CC3)C2)s1 ZINC000602828822 1041249618 /nfs/dbraw/zinc/24/96/18/1041249618.db2.gz UZIYVBRJNNQPEL-INIZCTEOSA-N 1 1 317.502 3.504 20 30 DHEDMO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)CC3(CC#N)CC3)C2)s1 ZINC000602828822 1041249633 /nfs/dbraw/zinc/24/96/33/1041249633.db2.gz UZIYVBRJNNQPEL-INIZCTEOSA-N 1 1 317.502 3.504 20 30 DHEDMO Cc1ccc(CN2CC[C@@H](C[N@H+](C)CC3(CC#N)CC3)C2)s1 ZINC000602828822 1041249645 /nfs/dbraw/zinc/24/96/45/1041249645.db2.gz UZIYVBRJNNQPEL-INIZCTEOSA-N 1 1 317.502 3.504 20 30 DHEDMO CC[N@@H+](CCCCC(C)(C)C#N)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000602891257 1041300973 /nfs/dbraw/zinc/30/09/73/1041300973.db2.gz GZQRJOHEKIWWNA-CQSZACIVSA-N 1 1 319.415 3.665 20 30 DHEDMO Cc1cc(Br)c2c(c1)CC[N@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000602928473 1041309466 /nfs/dbraw/zinc/30/94/66/1041309466.db2.gz NYQJHFIIMLABOL-OCCSQVGLSA-N 1 1 319.246 3.808 20 30 DHEDMO Cc1cc(Br)c2c(c1)CC[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000602928473 1041309481 /nfs/dbraw/zinc/30/94/81/1041309481.db2.gz NYQJHFIIMLABOL-OCCSQVGLSA-N 1 1 319.246 3.808 20 30 DHEDMO C[N@H+](Cc1ccc(OCc2ccncc2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602978107 1041329259 /nfs/dbraw/zinc/32/92/59/1041329259.db2.gz LQAASPWYOQMFCF-UYAOXDASSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602978107 1041329271 /nfs/dbraw/zinc/32/92/71/1041329271.db2.gz LQAASPWYOQMFCF-UYAOXDASSA-N 1 1 321.424 3.785 20 30 DHEDMO Cc1ccc([C@@H]2CCCC[N@H+]2C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598592497 1041351315 /nfs/dbraw/zinc/35/13/15/1041351315.db2.gz LACRDHXCGATHIQ-MSOLQXFVSA-N 1 1 300.446 3.823 20 30 DHEDMO CCc1ccc([C@H]2CCCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598592999 1041351915 /nfs/dbraw/zinc/35/19/15/1041351915.db2.gz POFYNLMOXHXBBT-GOEBONIOSA-N 1 1 304.434 3.670 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000598594702 1041354193 /nfs/dbraw/zinc/35/41/93/1041354193.db2.gz IDIGTHKEEDMBRQ-SJORKVTESA-N 1 1 304.409 3.653 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000598595445 1041355308 /nfs/dbraw/zinc/35/53/08/1041355308.db2.gz SZXWBDNYSHMUIZ-GOSISDBHSA-N 1 1 318.436 3.871 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](COCC)C2)cc1OC ZINC000093419243 335000627 /nfs/dbraw/zinc/00/06/27/335000627.db2.gz DHSSZKCYEGWWAE-QGZVFWFLSA-N 1 1 319.445 3.509 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1N1CCCC1 ZINC000015574025 182007716 /nfs/dbraw/zinc/00/77/16/182007716.db2.gz TWPRHEYZTNCEIR-UHFFFAOYSA-N 1 1 305.425 3.790 20 30 DHEDMO COc1cc(C)c(C[N@H+](C)Cc2ccccc2C#N)cc1OC ZINC000024802332 182391212 /nfs/dbraw/zinc/39/12/12/182391212.db2.gz SSNKPZNOMARNRD-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO COc1cc(C)c(C[N@@H+](C)Cc2ccccc2C#N)cc1OC ZINC000024802332 182391216 /nfs/dbraw/zinc/39/12/16/182391216.db2.gz SSNKPZNOMARNRD-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO Cc1noc(C)c1C(C)(C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000285767244 335029049 /nfs/dbraw/zinc/02/90/49/335029049.db2.gz SPBPNQVDLIONHA-UHFFFAOYSA-N 1 1 302.805 3.821 20 30 DHEDMO C=C(C)CN1CCC([NH2+][C@H](CC)c2ccc(F)cc2O)CC1 ZINC000286215200 335030392 /nfs/dbraw/zinc/03/03/92/335030392.db2.gz SEYKLKKXODLGPQ-QGZVFWFLSA-N 1 1 306.425 3.613 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCS[C@H](C)CC2)cc1OC ZINC000190691486 335047415 /nfs/dbraw/zinc/04/74/15/335047415.db2.gz MXJOLTBUMNNSKA-CQSZACIVSA-N 1 1 307.459 3.587 20 30 DHEDMO C[C@H](C[N@@H+](C)CC#Cc1cccc(Cl)c1)c1nccs1 ZINC000183992736 335052166 /nfs/dbraw/zinc/05/21/66/335052166.db2.gz PBCRQIKZKPHJGH-CYBMUJFWSA-N 1 1 304.846 3.884 20 30 DHEDMO C[C@@H](C[N@@H+](C)CC#Cc1cccc(Cl)c1)c1nccs1 ZINC000183992719 335052172 /nfs/dbraw/zinc/05/21/72/335052172.db2.gz PBCRQIKZKPHJGH-ZDUSSCGKSA-N 1 1 304.846 3.884 20 30 DHEDMO C[C@@H](C[N@@H+](C)CC#Cc1ccc(Cl)cc1)c1nccs1 ZINC000183999950 335052179 /nfs/dbraw/zinc/05/21/79/335052179.db2.gz JTYTVEUZDPWIAG-ZDUSSCGKSA-N 1 1 304.846 3.884 20 30 DHEDMO CC[N@@H+](Cc1cccc(O)c1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000272275864 130015234 /nfs/dbraw/zinc/01/52/34/130015234.db2.gz MCOIXZRZGCQUBP-AWEZNQCLSA-N 1 1 310.397 3.856 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC000340213346 131198837 /nfs/dbraw/zinc/19/88/37/131198837.db2.gz WNXFNPOFADSROP-TTYHFUOFSA-N 1 1 312.457 3.710 20 30 DHEDMO C[C@@H]1CCC[N@@H+](CCCCNc2nc(Cl)c(C#N)s2)C1 ZINC000286373075 131233333 /nfs/dbraw/zinc/23/33/33/131233333.db2.gz MJSILOIJJXIMJI-LLVKDONJSA-N 1 1 312.870 3.592 20 30 DHEDMO CN(c1cc(C#N)ccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286379104 131233602 /nfs/dbraw/zinc/23/36/02/131233602.db2.gz NBMFBGACMXETLC-PBWFPOADSA-N 1 1 323.362 3.638 20 30 DHEDMO Cn1c[nH+]cc1CCSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000287612190 131289859 /nfs/dbraw/zinc/28/98/59/131289859.db2.gz TUPUSGDLAZMRNJ-UHFFFAOYSA-N 1 1 311.332 3.645 20 30 DHEDMO Cc1c(C#N)c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc2ccccc12 ZINC000297214551 132004647 /nfs/dbraw/zinc/00/46/47/132004647.db2.gz SHYYOSOFHNTBFM-CQSZACIVSA-N 1 1 317.396 3.522 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1cnc([C@H](C)O)s1)c1ccc(F)c(F)c1 ZINC000289764727 335065285 /nfs/dbraw/zinc/06/52/85/335065285.db2.gz QMRQBODTKJCEEZ-BONVTDFDSA-N 1 1 324.396 3.882 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425554324 335086719 /nfs/dbraw/zinc/08/67/19/335086719.db2.gz OFZJQKKNRLHBKI-KXBFYZLASA-N 1 1 310.441 3.900 20 30 DHEDMO Cc1nc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)ccc1C#N ZINC000488109035 429176540 /nfs/dbraw/zinc/17/65/40/429176540.db2.gz TXMSUENOIUEFOA-CRAIPNDOSA-N 1 1 306.413 3.509 20 30 DHEDMO C=C(C)[C@@H](Nc1cc[nH+]c(N(C)C)n1)c1ccc(F)c(F)c1 ZINC000475723450 429716382 /nfs/dbraw/zinc/71/63/82/429716382.db2.gz NHPXCHKMZYDEMB-OAHLLOKOSA-N 1 1 304.344 3.550 20 30 DHEDMO C[C@H](CNc1cc(C#N)c2ccccc2n1)[N@H+]1CCC[C@H](C)C1 ZINC000524053057 434968593 /nfs/dbraw/zinc/96/85/93/434968593.db2.gz IKKBPNDOJMOKPX-LSDHHAIUSA-N 1 1 308.429 3.639 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cc1F ZINC000518261507 332002087 /nfs/dbraw/zinc/00/20/87/332002087.db2.gz MWAVITOOLGEYTK-HXUWFJFHSA-N 1 1 322.383 3.667 20 30 DHEDMO COc1ccc(C[N@H+](C)[C@@H](C)Cc2ccccc2OC)cc1C#N ZINC000131929876 332051387 /nfs/dbraw/zinc/05/13/87/332051387.db2.gz ZBXSEDKTILGVCM-HNNXBMFYSA-N 1 1 324.424 3.638 20 30 DHEDMO C[N@H+](Cc1ccccc1)CC(C)(C)NCc1ccc(C#N)s1 ZINC000159376002 332081341 /nfs/dbraw/zinc/08/13/41/332081341.db2.gz VNWZFAPMTLEKCL-UHFFFAOYSA-N 1 1 313.470 3.620 20 30 DHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1ccc(C#N)s1 ZINC000159376002 332081343 /nfs/dbraw/zinc/08/13/43/332081343.db2.gz VNWZFAPMTLEKCL-UHFFFAOYSA-N 1 1 313.470 3.620 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000410138460 332093030 /nfs/dbraw/zinc/09/30/30/332093030.db2.gz RKOZYXSWTWZADP-SJLPKXTDSA-N 1 1 318.436 3.509 20 30 DHEDMO C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccc(C#N)cn1 ZINC000569536060 332128451 /nfs/dbraw/zinc/12/84/51/332128451.db2.gz OMJLHTBFZQKKGF-UHFFFAOYSA-N 1 1 306.196 3.892 20 30 DHEDMO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccc(C#N)cn1 ZINC000569536060 332128452 /nfs/dbraw/zinc/12/84/52/332128452.db2.gz OMJLHTBFZQKKGF-UHFFFAOYSA-N 1 1 306.196 3.892 20 30 DHEDMO N#CCC[N@@H+](Cc1cccc(OCc2ccccn2)c1)CC1CC1 ZINC000093091603 332134135 /nfs/dbraw/zinc/13/41/35/332134135.db2.gz OGFBJSGWKYQSPN-UHFFFAOYSA-N 1 1 321.424 3.786 20 30 DHEDMO N#CCC[N@H+](Cc1cccc(OCc2ccccn2)c1)CC1CC1 ZINC000093091603 332134136 /nfs/dbraw/zinc/13/41/36/332134136.db2.gz OGFBJSGWKYQSPN-UHFFFAOYSA-N 1 1 321.424 3.786 20 30 DHEDMO C=CCC[C@@H](C(=O)NCC[N@H+](CC)C(C)C)c1ccccc1 ZINC000426826130 332158169 /nfs/dbraw/zinc/15/81/69/332158169.db2.gz CXJCFHGVRHZOPQ-GOSISDBHSA-N 1 1 302.462 3.583 20 30 DHEDMO C[C@H]1C[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000317753308 332171023 /nfs/dbraw/zinc/17/10/23/332171023.db2.gz ORCADJZRBFAAMB-GWCFXTLKSA-N 1 1 309.335 3.614 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000292881953 335097252 /nfs/dbraw/zinc/09/72/52/335097252.db2.gz SUHGMKQRNGELRK-AEFFLSMTSA-N 1 1 314.473 3.616 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)NC1CCCC1)c1ccc(F)c(F)c1 ZINC000187756326 332271461 /nfs/dbraw/zinc/27/14/61/332271461.db2.gz UFPMJYZEVQJHDB-SJKOYZFVSA-N 1 1 322.399 3.619 20 30 DHEDMO C=CCCCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000560186364 332317649 /nfs/dbraw/zinc/31/76/49/332317649.db2.gz WYWUYMXFYMRPJY-UHFFFAOYSA-N 1 1 310.825 3.575 20 30 DHEDMO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc1OCC ZINC000120997623 332391103 /nfs/dbraw/zinc/39/11/03/332391103.db2.gz VVNXKGBZRHQUOJ-LSDHHAIUSA-N 1 1 315.417 3.578 20 30 DHEDMO N#CC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000562629747 332611282 /nfs/dbraw/zinc/61/12/82/332611282.db2.gz BJTWSHFLUHUOOU-UHFFFAOYSA-N 1 1 313.382 3.717 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000466246000 333008368 /nfs/dbraw/zinc/00/83/68/333008368.db2.gz IYIWFKCVMHLRAJ-KSZLIROESA-N 1 1 314.473 3.710 20 30 DHEDMO CC[N@@H+](CCCC(C)(C)C#N)CC(=O)Nc1c(F)cccc1F ZINC000174808503 333090975 /nfs/dbraw/zinc/09/09/75/333090975.db2.gz CKWRISIQJHAPNU-UHFFFAOYSA-N 1 1 323.387 3.555 20 30 DHEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCC(C)(C)C#N ZINC000175399254 333098523 /nfs/dbraw/zinc/09/85/23/333098523.db2.gz BHOKVFRZTPOMBE-LHSJRXKWSA-N 1 1 306.475 3.747 20 30 DHEDMO Cc1cnc([C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)s1 ZINC000175859319 333105569 /nfs/dbraw/zinc/10/55/69/333105569.db2.gz WBXHTXOROAQXIB-AWEZNQCLSA-N 1 1 314.458 3.652 20 30 DHEDMO C[N@H+](CCC#N)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000177191540 333125688 /nfs/dbraw/zinc/12/56/88/333125688.db2.gz JGAXNLFTQGHRRW-UHFFFAOYSA-N 1 1 323.396 3.653 20 30 DHEDMO C[N@@H+](CCC#N)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000177191540 333125689 /nfs/dbraw/zinc/12/56/89/333125689.db2.gz JGAXNLFTQGHRRW-UHFFFAOYSA-N 1 1 323.396 3.653 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C(C)C)[C@H]2CCOC2)cc1Cl ZINC000462879444 333128931 /nfs/dbraw/zinc/12/89/31/333128931.db2.gz XOHGYIJBYJFZBM-HNNXBMFYSA-N 1 1 309.837 3.904 20 30 DHEDMO CCCOc1c(Cl)cc(C[NH2+][C@H](CC)CC#N)cc1OC ZINC000184085855 333191852 /nfs/dbraw/zinc/19/18/52/333191852.db2.gz FZKKOIRLAPZZGE-CYBMUJFWSA-N 1 1 310.825 3.919 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000318954281 333231705 /nfs/dbraw/zinc/23/17/05/333231705.db2.gz DMXQKBAQLCKQKO-CQSZACIVSA-N 1 1 312.335 3.730 20 30 DHEDMO N#CCSCCC[N@H+]1CCCc2[nH]c3ccc(F)cc3c2C1 ZINC000364079686 333234883 /nfs/dbraw/zinc/23/48/83/333234883.db2.gz APWYUPQZEBUGED-UHFFFAOYSA-N 1 1 317.433 3.702 20 30 DHEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000497393416 333245338 /nfs/dbraw/zinc/24/53/38/333245338.db2.gz SXVIXBPUKRYXEZ-HXUWFJFHSA-N 1 1 321.424 3.826 20 30 DHEDMO N#Cc1ccc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000310403943 333246364 /nfs/dbraw/zinc/24/63/64/333246364.db2.gz NSPDDHLOWJJUHL-GOSISDBHSA-N 1 1 320.440 3.667 20 30 DHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC23CCCCC3)cc1 ZINC000533936015 333255136 /nfs/dbraw/zinc/25/51/36/333255136.db2.gz XJJSISZWAULEMM-UHFFFAOYSA-N 1 1 311.429 3.686 20 30 DHEDMO C[C@H](c1cc(F)ccc1F)[N@H+](C)CCOc1ccccc1C#N ZINC000497617640 333270256 /nfs/dbraw/zinc/27/02/56/333270256.db2.gz GQYGNTHFSOOQDB-CYBMUJFWSA-N 1 1 316.351 3.908 20 30 DHEDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCOc1ccccc1C#N ZINC000497617640 333270257 /nfs/dbraw/zinc/27/02/57/333270257.db2.gz GQYGNTHFSOOQDB-CYBMUJFWSA-N 1 1 316.351 3.908 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@@H](c2n[nH]cc2NC(C)=O)C1 ZINC000364883327 333332727 /nfs/dbraw/zinc/33/27/27/333332727.db2.gz URTUAHIRCGKTRN-OAHLLOKOSA-N 1 1 306.454 3.518 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000367446415 333332988 /nfs/dbraw/zinc/33/29/88/333332988.db2.gz DVHRWKFCDKAAPF-QGZVFWFLSA-N 1 1 323.358 3.559 20 30 DHEDMO C=CC[N@H+](CCOCC(F)(F)C(F)F)Cc1cccs1 ZINC000188592422 333377479 /nfs/dbraw/zinc/37/74/79/333377479.db2.gz PGMQHPZJJHWOLA-UHFFFAOYSA-N 1 1 311.344 3.653 20 30 DHEDMO C=CCOCC[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000339042606 333506765 /nfs/dbraw/zinc/50/67/65/333506765.db2.gz JPHIYYYMXQAXBF-QGZVFWFLSA-N 1 1 302.805 3.617 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000185704472 335148433 /nfs/dbraw/zinc/14/84/33/335148433.db2.gz ZXFOFQCQWWUSOQ-HOTGVXAUSA-N 1 1 316.445 3.621 20 30 DHEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)c(Br)c1 ZINC000451069428 333729832 /nfs/dbraw/zinc/72/98/32/333729832.db2.gz FILLPAAGAUPPKB-SNVBAGLBSA-N 1 1 311.198 3.933 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(F)c(F)c1 ZINC000186451778 335158016 /nfs/dbraw/zinc/15/80/16/335158016.db2.gz CZNLRKXSLTVFQA-AEFFLSMTSA-N 1 1 317.383 3.983 20 30 DHEDMO C=CCC[N@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000343443877 335164935 /nfs/dbraw/zinc/16/49/35/335164935.db2.gz OWYPXRSFFHTFJL-UHFFFAOYSA-N 1 1 320.234 3.643 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)c1 ZINC000414531366 334008664 /nfs/dbraw/zinc/00/86/64/334008664.db2.gz RXIZNESZQBBYNS-IBGZPJMESA-N 1 1 315.457 3.888 20 30 DHEDMO N#Cc1csc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000414555744 334016924 /nfs/dbraw/zinc/01/69/24/334016924.db2.gz MHFUGYZSGLUVQW-GOSISDBHSA-N 1 1 324.449 3.973 20 30 DHEDMO N#Cc1cccc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)c1 ZINC000271088806 334018142 /nfs/dbraw/zinc/01/81/42/334018142.db2.gz FHMCVDWZUHYXSZ-UHFFFAOYSA-N 1 1 324.399 3.879 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(OCC#N)c1 ZINC000272654567 334038550 /nfs/dbraw/zinc/03/85/50/334038550.db2.gz NMJSYTQFIYELLC-JXFKEZNVSA-N 1 1 321.424 3.521 20 30 DHEDMO Cc1csc(C2([NH2+]Cc3ccc(OCC#N)cc3)CCC2)n1 ZINC000275138572 334069660 /nfs/dbraw/zinc/06/96/60/334069660.db2.gz DDYYMYVZBVDLHJ-UHFFFAOYSA-N 1 1 313.426 3.523 20 30 DHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000276254908 334075369 /nfs/dbraw/zinc/07/53/69/334075369.db2.gz NYKHOTKDGFSOGM-CQSZACIVSA-N 1 1 312.335 3.752 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000277873331 334091584 /nfs/dbraw/zinc/09/15/84/334091584.db2.gz YQYUUYWULNBLNI-GOSISDBHSA-N 1 1 300.446 3.688 20 30 DHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCc2ccccc2C1 ZINC000281907981 334129617 /nfs/dbraw/zinc/12/96/17/334129617.db2.gz GGLLYLRMQHQNBN-IBGZPJMESA-N 1 1 312.457 3.576 20 30 DHEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)[C@@H](C)c1cccc(O)c1 ZINC000282112553 334131391 /nfs/dbraw/zinc/13/13/91/334131391.db2.gz XCDSGOGCSHXYBT-INIZCTEOSA-N 1 1 316.445 3.876 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)CCc1cccc([N+](=O)[O-])c1 ZINC000282483160 334135148 /nfs/dbraw/zinc/13/51/48/334135148.db2.gz PALIEAZWUJBRSB-UHFFFAOYSA-N 1 1 303.406 3.789 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000289372199 334164587 /nfs/dbraw/zinc/16/45/87/334164587.db2.gz AXTJROVBUGEUGF-QZTJIDSGSA-N 1 1 312.457 3.877 20 30 DHEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1cccc(OCc2ccccn2)c1 ZINC000343585229 335179776 /nfs/dbraw/zinc/17/97/76/335179776.db2.gz WQLHBMLMOOSQDC-HNNXBMFYSA-N 1 1 307.397 3.615 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)s1 ZINC000289800379 334168083 /nfs/dbraw/zinc/16/80/83/334168083.db2.gz SJWFMIAEEVKWET-GUDVDZBRSA-N 1 1 324.449 3.624 20 30 DHEDMO CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000289957974 334169896 /nfs/dbraw/zinc/16/98/96/334169896.db2.gz QPUYAFIUFYJZHQ-AWEZNQCLSA-N 1 1 319.474 3.751 20 30 DHEDMO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000292372851 334187309 /nfs/dbraw/zinc/18/73/09/334187309.db2.gz IXFIILYAXJRDKT-BBRMVZONSA-N 1 1 319.861 3.950 20 30 DHEDMO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000292372851 334187310 /nfs/dbraw/zinc/18/73/10/334187310.db2.gz IXFIILYAXJRDKT-BBRMVZONSA-N 1 1 319.861 3.950 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1 ZINC000292773434 334192176 /nfs/dbraw/zinc/19/21/76/334192176.db2.gz KSIOCELCONXOKA-SJORKVTESA-N 1 1 319.399 3.514 20 30 DHEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000293505938 334198467 /nfs/dbraw/zinc/19/84/67/334198467.db2.gz NYOJVDHFSKELRQ-QZTJIDSGSA-N 1 1 322.456 3.922 20 30 DHEDMO COc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000293667164 334200280 /nfs/dbraw/zinc/20/02/80/334200280.db2.gz ZFQJRPCPRWEEFF-BXUZGUMPSA-N 1 1 323.234 3.582 20 30 DHEDMO COc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)CCC#N ZINC000297830805 334244332 /nfs/dbraw/zinc/24/43/32/334244332.db2.gz JWTFUXDXHMTLSO-NSHDSACASA-N 1 1 311.223 3.582 20 30 DHEDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2cc(C#N)cs2)c1 ZINC000535080038 334365635 /nfs/dbraw/zinc/36/56/35/334365635.db2.gz GTOKOKWHXVGOMG-MRXNPFEDSA-N 1 1 312.438 3.835 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cccc(C#N)c2F)C1 ZINC000340808322 334386918 /nfs/dbraw/zinc/38/69/18/334386918.db2.gz DDDNBXWFNKCRGM-RVKKMQEKSA-N 1 1 315.436 3.535 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c1F ZINC000340941967 334395373 /nfs/dbraw/zinc/39/53/73/334395373.db2.gz QDJPFSIXCOEVOO-CQSZACIVSA-N 1 1 301.390 3.533 20 30 DHEDMO C=C1CC[NH+]([C@@H](C)C(=O)N[C@@H](CCC)c2ccccc2)CC1 ZINC000341986492 334503087 /nfs/dbraw/zinc/50/30/87/334503087.db2.gz VVAJNOXOUNUGRK-WMZOPIPTSA-N 1 1 300.446 3.685 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343740983 335189806 /nfs/dbraw/zinc/18/98/06/335189806.db2.gz VYHCKVQEIJZPJI-GFCCVEGCSA-N 1 1 301.356 3.585 20 30 DHEDMO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccc(CC#N)cc1)CC2 ZINC000343735393 335192853 /nfs/dbraw/zinc/19/28/53/335192853.db2.gz QSIQPTFRDRMFMZ-UHFFFAOYSA-N 1 1 318.420 3.556 20 30 DHEDMO C[C@@H]([NH2+][C@@H]1COc2ccc(F)cc21)c1ccc(C#N)c(F)c1 ZINC000344140167 335221030 /nfs/dbraw/zinc/22/10/30/335221030.db2.gz VRTPWROCLSLAOY-QLJPJBMISA-N 1 1 300.308 3.621 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344101532 335223014 /nfs/dbraw/zinc/22/30/14/335223014.db2.gz FGAFFLLYKXARGE-MRXNPFEDSA-N 1 1 319.408 3.640 20 30 DHEDMO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000366867167 335250710 /nfs/dbraw/zinc/25/07/10/335250710.db2.gz ITQVYTIYCVMRIB-LJQANCHMSA-N 1 1 322.456 3.948 20 30 DHEDMO CSc1ccc(F)cc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000344711533 335274741 /nfs/dbraw/zinc/27/47/41/335274741.db2.gz HLEPNFLDAMAATD-UHFFFAOYSA-N 1 1 304.365 3.848 20 30 DHEDMO CC[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccs1 ZINC000347618328 335511080 /nfs/dbraw/zinc/51/10/80/335511080.db2.gz VNGYTVVKVOBURA-CQSZACIVSA-N 1 1 324.409 3.911 20 30 DHEDMO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)o1 ZINC000349818423 335703026 /nfs/dbraw/zinc/70/30/26/335703026.db2.gz IZMXAPDAFQNEDG-QAPCUYQASA-N 1 1 321.424 3.597 20 30 DHEDMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000350463674 335755178 /nfs/dbraw/zinc/75/51/78/335755178.db2.gz VHNQQWRNSNVRJC-WFASDCNBSA-N 1 1 300.793 3.512 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000329628348 336016280 /nfs/dbraw/zinc/01/62/80/336016280.db2.gz HGBBGRJBZXRWTN-JSGCOSHPSA-N 1 1 316.401 3.514 20 30 DHEDMO CC1CC[NH+](CC(=O)Nc2csc(-c3ccncc3)n2)CC1 ZINC000329637128 336021106 /nfs/dbraw/zinc/02/11/06/336021106.db2.gz VNHDXUBIMFLFNC-UHFFFAOYSA-N 1 1 316.430 3.525 20 30 DHEDMO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCC[C@@H](C3CC3)C2)on1 ZINC000329673713 336037144 /nfs/dbraw/zinc/03/71/44/336037144.db2.gz VAQSNESSGTWTBF-CYBMUJFWSA-N 1 1 305.422 3.682 20 30 DHEDMO CC(C)(C)c1cc(NC(=O)C[N@H+]2CCC[C@@H](C3CC3)C2)on1 ZINC000329673713 336037145 /nfs/dbraw/zinc/03/71/45/336037145.db2.gz VAQSNESSGTWTBF-CYBMUJFWSA-N 1 1 305.422 3.682 20 30 DHEDMO C=CC[N@@H+](Cc1nnc2n1CCCCC2)CC1CCCCC1 ZINC000351828542 336070975 /nfs/dbraw/zinc/07/09/75/336070975.db2.gz HDFHJEHOUIXLKH-UHFFFAOYSA-N 1 1 302.466 3.573 20 30 DHEDMO C=CC[N@H+](Cc1nnc2n1CCCCC2)CC1CCCCC1 ZINC000351828542 336070976 /nfs/dbraw/zinc/07/09/76/336070976.db2.gz HDFHJEHOUIXLKH-UHFFFAOYSA-N 1 1 302.466 3.573 20 30 DHEDMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cnn(C2CCCC2)c1C ZINC000329956669 336099754 /nfs/dbraw/zinc/09/97/54/336099754.db2.gz PCLZBFDVPPQKGG-MRXNPFEDSA-N 1 1 304.438 3.769 20 30 DHEDMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000330145719 336117986 /nfs/dbraw/zinc/11/79/86/336117986.db2.gz HLOZBPKQZCFXMI-GOSISDBHSA-N 1 1 324.428 3.867 20 30 DHEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000330209689 336124579 /nfs/dbraw/zinc/12/45/79/336124579.db2.gz BWMOHAWXXBASBO-BLLLJJGKSA-N 1 1 318.465 3.591 20 30 DHEDMO CCCn1c2ccccc2nc1NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330271901 336132196 /nfs/dbraw/zinc/13/21/96/336132196.db2.gz WSXDBHSMAPSJCS-INIZCTEOSA-N 1 1 312.417 3.661 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2noc(C)c2C(=O)OCC)CCCC1(C)C ZINC000352367620 336214565 /nfs/dbraw/zinc/21/45/65/336214565.db2.gz AKKYITGXLKCHPI-OAHLLOKOSA-N 1 1 320.433 3.726 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2noc(C)c2C(=O)OCC)CCCC1(C)C ZINC000352367620 336214566 /nfs/dbraw/zinc/21/45/66/336214566.db2.gz AKKYITGXLKCHPI-OAHLLOKOSA-N 1 1 320.433 3.726 20 30 DHEDMO C=CCCC[N@@H+](C)Cc1cc(O)c(OC)cc1Br ZINC000352608377 336226692 /nfs/dbraw/zinc/22/66/92/336226692.db2.gz JTDZBBGVYFLHPM-UHFFFAOYSA-N 1 1 314.223 3.561 20 30 DHEDMO C=CCCC[N@H+](C)Cc1cc(O)c(OC)cc1Br ZINC000352608377 336226693 /nfs/dbraw/zinc/22/66/93/336226693.db2.gz JTDZBBGVYFLHPM-UHFFFAOYSA-N 1 1 314.223 3.561 20 30 DHEDMO C=CCN(Cc1ccccc1F)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000352618425 336227259 /nfs/dbraw/zinc/22/72/59/336227259.db2.gz QEWVBNSEDLZKQY-QGZVFWFLSA-N 1 1 318.436 3.605 20 30 DHEDMO CC(C)COc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352808683 336243644 /nfs/dbraw/zinc/24/36/44/336243644.db2.gz CSSMWQSKACZMIU-ZDUSSCGKSA-N 1 1 315.442 3.900 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc2ccccc2n1 ZINC000352819761 336255346 /nfs/dbraw/zinc/25/53/46/336255346.db2.gz XLWGBSAWZDVPRJ-UHFFFAOYSA-N 1 1 322.408 3.898 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc2ccccc2n1 ZINC000352819761 336255347 /nfs/dbraw/zinc/25/53/47/336255347.db2.gz XLWGBSAWZDVPRJ-UHFFFAOYSA-N 1 1 322.408 3.898 20 30 DHEDMO CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352830242 336268011 /nfs/dbraw/zinc/26/80/11/336268011.db2.gz CLPQXFYBPQSIKE-MEBBXXQBSA-N 1 1 321.833 3.534 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000325144081 336279937 /nfs/dbraw/zinc/27/99/37/336279937.db2.gz FDUILYDNSKUBIP-INIZCTEOSA-N 1 1 324.424 3.509 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000325144082 336279967 /nfs/dbraw/zinc/27/99/67/336279967.db2.gz FDUILYDNSKUBIP-MRXNPFEDSA-N 1 1 324.424 3.509 20 30 DHEDMO C[C@H](CNc1c(C#N)cnc2ccccc21)[N@H+]1CCC[C@H](C)C1 ZINC000301373571 336303150 /nfs/dbraw/zinc/30/31/50/336303150.db2.gz QNQSTSCBVOSJDW-LSDHHAIUSA-N 1 1 308.429 3.639 20 30 DHEDMO CC[C@H](C#N)Oc1cc(CNc2cc(C)cc[nH+]2)ccc1OC ZINC000301617884 336318595 /nfs/dbraw/zinc/31/85/95/336318595.db2.gz COELNNURPDRXMT-OAHLLOKOSA-N 1 1 311.385 3.692 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(C#N)nc2)cc1 ZINC000301750784 336327624 /nfs/dbraw/zinc/32/76/24/336327624.db2.gz UMMFHGIDAVJTSH-CYBMUJFWSA-N 1 1 303.369 3.621 20 30 DHEDMO CCC[N@H+]1CC[C@H](CNc2ccc(C(F)(F)F)cc2C#N)C1 ZINC000301979979 336341119 /nfs/dbraw/zinc/34/11/19/336341119.db2.gz HRUIPBWSCYWWRW-GFCCVEGCSA-N 1 1 311.351 3.721 20 30 DHEDMO C[C@@H](Nc1cccc(F)c1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000302035102 336344616 /nfs/dbraw/zinc/34/46/16/336344616.db2.gz FBSHYVZAARIPLL-ZIAGYGMSSA-N 1 1 301.409 3.762 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(CNc2cc(C(C)=O)ccc2C#N)c1 ZINC000302056014 336346010 /nfs/dbraw/zinc/34/60/10/336346010.db2.gz ZGLWHCLQAVVSGP-UHFFFAOYSA-N 1 1 321.424 3.825 20 30 DHEDMO CC(=O)c1ccc(C#N)c(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000302077171 336347375 /nfs/dbraw/zinc/34/73/75/336347375.db2.gz AGPOUHUYVOWBSU-OAHLLOKOSA-N 1 1 321.424 3.693 20 30 DHEDMO CC(=O)c1ccc(C#N)cc1NCCCC[N@@H+]1CCCC[C@H]1C ZINC000302095405 336348217 /nfs/dbraw/zinc/34/82/17/336348217.db2.gz IUZSKZBAWQOFJK-OAHLLOKOSA-N 1 1 313.445 3.827 20 30 DHEDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000302185665 336352996 /nfs/dbraw/zinc/35/29/96/336352996.db2.gz UJWKBAOQEDMBIM-INIZCTEOSA-N 1 1 316.405 3.533 20 30 DHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1c(C#N)cccc1C#N ZINC000302487519 336359789 /nfs/dbraw/zinc/35/97/89/336359789.db2.gz XZRHSONMXCZKPT-UHFFFAOYSA-N 1 1 318.424 3.882 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](CC)CC(C)C ZINC000514113003 336365236 /nfs/dbraw/zinc/36/52/36/336365236.db2.gz MKQSJWHRWVVZIL-UHFFFAOYSA-N 1 1 306.475 3.881 20 30 DHEDMO C[C@@H](CCNc1c(C#N)cccc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000302883376 336373129 /nfs/dbraw/zinc/37/31/29/336373129.db2.gz KVZZGHNXMYOKIO-INIZCTEOSA-N 1 1 318.424 3.752 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(OC)c(OC)cc1C ZINC000352931829 336377993 /nfs/dbraw/zinc/37/79/93/336377993.db2.gz OFBGVKURFTZVLS-UHFFFAOYSA-N 1 1 315.413 3.836 20 30 DHEDMO C[N@@H+](CCCNc1ccc(Cl)c(C#N)n1)C1CCCCC1 ZINC000111217423 336397768 /nfs/dbraw/zinc/39/77/68/336397768.db2.gz RVPCQOIXTGPKJO-UHFFFAOYSA-N 1 1 306.841 3.673 20 30 DHEDMO C=CCOc1cccc(C[NH2+][C@H](C)c2c(F)cncc2F)c1 ZINC000353118613 336403210 /nfs/dbraw/zinc/40/32/10/336403210.db2.gz LZSYTKCIZXMWKA-GFCCVEGCSA-N 1 1 304.340 3.775 20 30 DHEDMO N#Cc1ccc(OC2CC[NH+](Cc3ccc(Cl)o3)CC2)cc1 ZINC000353403129 336415508 /nfs/dbraw/zinc/41/55/08/336415508.db2.gz LJWPMOATCKWBRR-UHFFFAOYSA-N 1 1 316.788 3.848 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc2c(s1)CCCC2 ZINC000361748059 336771120 /nfs/dbraw/zinc/77/11/20/336771120.db2.gz GIGGMTGSSSDWMT-NSHDSACASA-N 1 1 315.417 3.883 20 30 DHEDMO C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccccc1)c1ccc(C#N)cc1 ZINC000374624814 336993818 /nfs/dbraw/zinc/99/38/18/336993818.db2.gz RBMSPOROCVLZLK-MGPUTAFESA-N 1 1 316.408 3.732 20 30 DHEDMO Cc1cc(C)n([C@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000375405206 337010399 /nfs/dbraw/zinc/01/03/99/337010399.db2.gz OIZQETHQCVEWTA-KRWDZBQOSA-N 1 1 302.466 3.857 20 30 DHEDMO Cc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)s1 ZINC000305052203 337011501 /nfs/dbraw/zinc/01/15/01/337011501.db2.gz AONMBYQSMGXOSR-IAGOWNOFSA-N 1 1 312.438 3.799 20 30 DHEDMO Cc1cccc([C@@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)n1 ZINC000375596147 337014132 /nfs/dbraw/zinc/01/41/32/337014132.db2.gz JLEFLINLPDBRPU-SFHVURJKSA-N 1 1 313.445 3.628 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)c1 ZINC000122624290 337016847 /nfs/dbraw/zinc/01/68/47/337016847.db2.gz XWRWRSBXQYAGET-IBGZPJMESA-N 1 1 304.393 3.796 20 30 DHEDMO Cc1noc(C)c1CO[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000375718453 337017639 /nfs/dbraw/zinc/01/76/39/337017639.db2.gz KJXYQVOTGYVDNM-INIZCTEOSA-N 1 1 319.449 3.602 20 30 DHEDMO C[N@H+]1CC[C@H](Nc2cccc(OCCCC#N)c2)[C@@H]2CCC[C@@H]21 ZINC000375850126 337021372 /nfs/dbraw/zinc/02/13/72/337021372.db2.gz IQTAUKVHAUPTQQ-FHWLQOOXSA-N 1 1 313.445 3.654 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000376532124 337035983 /nfs/dbraw/zinc/03/59/83/337035983.db2.gz RGCNZUWWEKSXAM-KDOFPFPSSA-N 1 1 307.397 3.545 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000376532126 337036037 /nfs/dbraw/zinc/03/60/37/337036037.db2.gz RGCNZUWWEKSXAM-RDTXWAMCSA-N 1 1 307.397 3.545 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000376740130 337040196 /nfs/dbraw/zinc/04/01/96/337040196.db2.gz QOSOVPNHRKMTAF-INIZCTEOSA-N 1 1 314.477 3.729 20 30 DHEDMO Cn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000377308814 337050281 /nfs/dbraw/zinc/05/02/81/337050281.db2.gz NIARQRZPBVBAHE-QGZVFWFLSA-N 1 1 301.340 3.512 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000377308814 337050282 /nfs/dbraw/zinc/05/02/82/337050282.db2.gz NIARQRZPBVBAHE-QGZVFWFLSA-N 1 1 301.340 3.512 20 30 DHEDMO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000377407963 337052332 /nfs/dbraw/zinc/05/23/32/337052332.db2.gz OCBRVJCKRHHZJM-DYZYQPBXSA-N 1 1 316.763 3.963 20 30 DHEDMO C=C(C)CCc1noc([C@H]2CCCN(c3ccc(C)c[nH+]3)C2)n1 ZINC000377457793 337052949 /nfs/dbraw/zinc/05/29/49/337052949.db2.gz BSPHIEUFMCFVMA-HNNXBMFYSA-N 1 1 312.417 3.666 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000377699430 337058937 /nfs/dbraw/zinc/05/89/37/337058937.db2.gz MHSCVJQLFXBBJA-HNNXBMFYSA-N 1 1 308.381 3.860 20 30 DHEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000378648958 337077601 /nfs/dbraw/zinc/07/76/01/337077601.db2.gz LHRBEIRXPNBKIQ-HIFRSBDPSA-N 1 1 321.346 3.938 20 30 DHEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000378648958 337077602 /nfs/dbraw/zinc/07/76/02/337077602.db2.gz LHRBEIRXPNBKIQ-HIFRSBDPSA-N 1 1 321.346 3.938 20 30 DHEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000171375069 337086274 /nfs/dbraw/zinc/08/62/74/337086274.db2.gz BVAOORXBQDMGFG-UHFFFAOYSA-N 1 1 324.399 3.879 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(c3cccc(F)c3F)CC2)nc1 ZINC000582615085 337114963 /nfs/dbraw/zinc/11/49/63/337114963.db2.gz PGWPLPWQKHDUTL-UHFFFAOYSA-N 1 1 313.351 3.611 20 30 DHEDMO C#CCOc1ccc(C[NH2+]Cc2cc(C(CC)CC)no2)cc1 ZINC000174547317 337142208 /nfs/dbraw/zinc/14/22/08/337142208.db2.gz LGUKCLSBEWIZGG-UHFFFAOYSA-N 1 1 312.413 3.880 20 30 DHEDMO C=CCCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175731977 337147040 /nfs/dbraw/zinc/14/70/40/337147040.db2.gz SKVMTBAFCJNUAE-MJGOQNOKSA-N 1 1 314.473 3.854 20 30 DHEDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000179928428 337172748 /nfs/dbraw/zinc/17/27/48/337172748.db2.gz NYAWBIOBZMMHDL-KXBFYZLASA-N 1 1 322.456 3.969 20 30 DHEDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ncc(C#N)cc1Cl ZINC000180346484 337173860 /nfs/dbraw/zinc/17/38/60/337173860.db2.gz BCQCEUSJBRKSBO-ZDUSSCGKSA-N 1 1 314.820 3.539 20 30 DHEDMO CCOCC[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000181483246 337182378 /nfs/dbraw/zinc/18/23/78/337182378.db2.gz PHAKMKXBTJPIFZ-UHFFFAOYSA-N 1 1 324.424 3.606 20 30 DHEDMO N#Cc1cccc(C[NH2+]Cc2nc3ccccc3n2C2CC2)c1 ZINC000184776076 337201093 /nfs/dbraw/zinc/20/10/93/337201093.db2.gz MLSDBJFCKLKSRH-UHFFFAOYSA-N 1 1 302.381 3.533 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000321136019 337201162 /nfs/dbraw/zinc/20/11/62/337201162.db2.gz SIKIUQUUKJKOGD-OAHLLOKOSA-N 1 1 302.381 3.595 20 30 DHEDMO C[C@H](c1ccsc1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000185493395 337205846 /nfs/dbraw/zinc/20/58/46/337205846.db2.gz FZGUUJWTLHRPEA-CYBMUJFWSA-N 1 1 315.417 3.642 20 30 DHEDMO CCCO[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000187008451 337261127 /nfs/dbraw/zinc/26/11/27/337261127.db2.gz DNSFAJDLJSKOLA-KRWDZBQOSA-N 1 1 306.837 3.993 20 30 DHEDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000187008451 337261128 /nfs/dbraw/zinc/26/11/28/337261128.db2.gz DNSFAJDLJSKOLA-KRWDZBQOSA-N 1 1 306.837 3.993 20 30 DHEDMO CC(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000321807166 337293542 /nfs/dbraw/zinc/29/35/42/337293542.db2.gz VPBXJWNZQWBCGD-QGZVFWFLSA-N 1 1 313.445 3.645 20 30 DHEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2cc(C#N)n(C)c2)C2CC2)o1 ZINC000191223124 337295043 /nfs/dbraw/zinc/29/50/43/337295043.db2.gz PKOCZZVMCCUXLJ-ACJLOTCBSA-N 1 1 309.413 3.778 20 30 DHEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2cc(C#N)n(C)c2)C2CC2)o1 ZINC000191223124 337295044 /nfs/dbraw/zinc/29/50/44/337295044.db2.gz PKOCZZVMCCUXLJ-ACJLOTCBSA-N 1 1 309.413 3.778 20 30 DHEDMO Cn1cc(C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)cc1C#N ZINC000191241420 337295129 /nfs/dbraw/zinc/29/51/29/337295129.db2.gz FGCSFNKXXHJVMB-HXUWFJFHSA-N 1 1 305.425 3.939 20 30 DHEDMO Cn1cc(CNc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)cc1C#N ZINC000191500361 337297529 /nfs/dbraw/zinc/29/75/29/337297529.db2.gz BZQLINBIKNQKGD-UHFFFAOYSA-N 1 1 321.428 3.693 20 30 DHEDMO C=CCC1(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CCC1 ZINC000191797751 337300124 /nfs/dbraw/zinc/30/01/24/337300124.db2.gz NRPFQBOTFJFAKS-MSOLQXFVSA-N 1 1 318.505 3.846 20 30 DHEDMO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(CCC#N)CC1 ZINC000583319732 337315161 /nfs/dbraw/zinc/31/51/61/337315161.db2.gz DPMGSGLJMTULBW-GFCCVEGCSA-N 1 1 316.430 3.875 20 30 DHEDMO N#CCCC1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000399366638 337315929 /nfs/dbraw/zinc/31/59/29/337315929.db2.gz SJHJXFAUYAJGEX-UHFFFAOYSA-N 1 1 307.781 3.764 20 30 DHEDMO C[C@H](c1ccccc1)[NH+]1CCC(NCc2cccc(C#N)c2)CC1 ZINC000116367465 337392639 /nfs/dbraw/zinc/39/26/39/337392639.db2.gz YEGWYXCLUWPSLU-QGZVFWFLSA-N 1 1 319.452 3.873 20 30 DHEDMO CC[N@@H+](CC1(O)CCC(C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000532927079 337393276 /nfs/dbraw/zinc/39/32/76/337393276.db2.gz SHDHISMXTMFEPS-WUJZJPHMSA-N 1 1 300.446 3.882 20 30 DHEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccccc1Cl)C[C@@H](C)C#N ZINC000120491215 337395904 /nfs/dbraw/zinc/39/59/04/337395904.db2.gz OUYWOGQBVXEJHQ-ZDUSSCGKSA-N 1 1 316.836 3.722 20 30 DHEDMO CC[N@H+](Cc1cn(C)nc1-c1ccccc1Cl)C[C@@H](C)C#N ZINC000120491215 337395905 /nfs/dbraw/zinc/39/59/05/337395905.db2.gz OUYWOGQBVXEJHQ-ZDUSSCGKSA-N 1 1 316.836 3.722 20 30 DHEDMO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccc3cncn3c2)cc1 ZINC000263172621 337625036 /nfs/dbraw/zinc/62/50/36/337625036.db2.gz SGONVASLEMJVOD-CQSZACIVSA-N 1 1 321.428 3.775 20 30 DHEDMO N#CCC1CC[NH+](Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC000542881549 337840689 /nfs/dbraw/zinc/84/06/89/337840689.db2.gz RTBUJELHQZYBRG-UHFFFAOYSA-N 1 1 316.792 3.516 20 30 DHEDMO N#Cc1cccc(OCC[N@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000084138626 338000245 /nfs/dbraw/zinc/00/02/45/338000245.db2.gz XOKVMGQLWMKZAF-UHFFFAOYSA-N 1 1 312.335 3.601 20 30 DHEDMO N#Cc1cccnc1S[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000425284429 338015666 /nfs/dbraw/zinc/01/56/66/338015666.db2.gz QVCOBSLTTSELSS-KRWDZBQOSA-N 1 1 309.438 3.710 20 30 DHEDMO C=CC[C@H](C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000426649906 338037043 /nfs/dbraw/zinc/03/70/43/338037043.db2.gz YWVRTCALSHUGFU-LMMKCTJWSA-N 1 1 314.473 3.583 20 30 DHEDMO CCC[N@@H+](Cc1cccc(F)c1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000428220053 338042882 /nfs/dbraw/zinc/04/28/82/338042882.db2.gz ZZZBQNCOSSTLGO-BMGDILEWSA-N 1 1 316.420 3.723 20 30 DHEDMO CC(C)[N@@H+](C)CC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000428339542 338047927 /nfs/dbraw/zinc/04/79/27/338047927.db2.gz DKTCKFKCTKNRNA-UHFFFAOYSA-N 1 1 323.396 3.629 20 30 DHEDMO C[N@H+](CCCOc1ccc(F)cc1)Cc1cccc(F)c1C#N ZINC000428461110 338053116 /nfs/dbraw/zinc/05/31/16/338053116.db2.gz HUUDHUMXLFCPBJ-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1cccc(F)c1C#N ZINC000428461110 338053117 /nfs/dbraw/zinc/05/31/17/338053117.db2.gz HUUDHUMXLFCPBJ-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1C#N ZINC000428470976 338054101 /nfs/dbraw/zinc/05/41/01/338054101.db2.gz UMDVUQVIKOADCH-UHFFFAOYSA-N 1 1 307.372 3.981 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1C#N ZINC000428470976 338054102 /nfs/dbraw/zinc/05/41/02/338054102.db2.gz UMDVUQVIKOADCH-UHFFFAOYSA-N 1 1 307.372 3.981 20 30 DHEDMO CC(C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC000428851039 338062385 /nfs/dbraw/zinc/06/23/85/338062385.db2.gz QFMSBDMLDAAKLZ-INIZCTEOSA-N 1 1 321.424 3.968 20 30 DHEDMO C=CC[N@@H+](CCC#N)CCCc1ccccc1Br ZINC000428870348 338063545 /nfs/dbraw/zinc/06/35/45/338063545.db2.gz DZCCNRPEDJHELB-UHFFFAOYSA-N 1 1 307.235 3.783 20 30 DHEDMO C=CC[N@H+](CCC#N)CCCc1ccccc1Br ZINC000428870348 338063546 /nfs/dbraw/zinc/06/35/46/338063546.db2.gz DZCCNRPEDJHELB-UHFFFAOYSA-N 1 1 307.235 3.783 20 30 DHEDMO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000429125159 338071346 /nfs/dbraw/zinc/07/13/46/338071346.db2.gz CTOIHZINEZHTDA-KRWDZBQOSA-N 1 1 316.445 3.507 20 30 DHEDMO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000429125159 338071347 /nfs/dbraw/zinc/07/13/47/338071347.db2.gz CTOIHZINEZHTDA-KRWDZBQOSA-N 1 1 316.445 3.507 20 30 DHEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2Br)C1 ZINC000429555701 338083888 /nfs/dbraw/zinc/08/38/88/338083888.db2.gz BLVKERYGMYTYNM-FZMZJTMJSA-N 1 1 307.235 3.941 20 30 DHEDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2Br)C1 ZINC000429577330 338084819 /nfs/dbraw/zinc/08/48/19/338084819.db2.gz FOCPHBLACRITSI-BXUZGUMPSA-N 1 1 307.235 3.941 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2occc2C)cc1OC ZINC000430120594 338097880 /nfs/dbraw/zinc/09/78/80/338097880.db2.gz MEVWFAWPVYFQEU-UHFFFAOYSA-N 1 1 301.386 3.793 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430218732 338101855 /nfs/dbraw/zinc/10/18/55/338101855.db2.gz KVLZLJPNWGSYPF-UHFFFAOYSA-N 1 1 312.369 3.792 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430218732 338101856 /nfs/dbraw/zinc/10/18/56/338101856.db2.gz KVLZLJPNWGSYPF-UHFFFAOYSA-N 1 1 312.369 3.792 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430304409 338104723 /nfs/dbraw/zinc/10/47/23/338104723.db2.gz PBEVQPINLAMAPH-UHFFFAOYSA-N 1 1 322.456 3.851 20 30 DHEDMO C=CCC[C@H](NC(=O)NCC[N@H+](CC)C(C)C)c1ccccc1 ZINC000435098608 338232114 /nfs/dbraw/zinc/23/21/14/338232114.db2.gz ZITIXKUJTWWJKE-SFHVURJKSA-N 1 1 317.477 3.723 20 30 DHEDMO N#Cc1cnc(NC[C@H]2CCC[N@H+]2C2CCCCC2)c(Cl)c1 ZINC000435582993 338242763 /nfs/dbraw/zinc/24/27/63/338242763.db2.gz CWGJIHWJTJWDPE-OAHLLOKOSA-N 1 1 318.852 3.816 20 30 DHEDMO C[N@H+](Cc1cccs1)Cc1ccc(C#N)cc1OC(F)F ZINC000437413476 338309245 /nfs/dbraw/zinc/30/92/45/338309245.db2.gz REFXTYWZSNAEPC-UHFFFAOYSA-N 1 1 308.353 3.853 20 30 DHEDMO C[N@@H+](Cc1cccs1)Cc1ccc(C#N)cc1OC(F)F ZINC000437413476 338309246 /nfs/dbraw/zinc/30/92/46/338309246.db2.gz REFXTYWZSNAEPC-UHFFFAOYSA-N 1 1 308.353 3.853 20 30 DHEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCC1 ZINC000437857028 338323557 /nfs/dbraw/zinc/32/35/57/338323557.db2.gz BSWPRJMUVQZTRG-QGZVFWFLSA-N 1 1 304.478 3.646 20 30 DHEDMO C[N@H+](CC#Cc1cccc(Cl)c1)CCCC(=O)OC(C)(C)C ZINC000438100831 338331547 /nfs/dbraw/zinc/33/15/47/338331547.db2.gz QRRJQGULNFPKKP-UHFFFAOYSA-N 1 1 321.848 3.745 20 30 DHEDMO O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000439011029 338358380 /nfs/dbraw/zinc/35/83/80/338358380.db2.gz ZPRFJWOPYBBKRK-VAMGGRTRSA-N 1 1 315.432 3.583 20 30 DHEDMO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1Cl ZINC000439438273 338369469 /nfs/dbraw/zinc/36/94/69/338369469.db2.gz LZAIOHFVMIYFBQ-UHFFFAOYSA-N 1 1 322.836 3.765 20 30 DHEDMO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1Cl ZINC000439438273 338369470 /nfs/dbraw/zinc/36/94/70/338369470.db2.gz LZAIOHFVMIYFBQ-UHFFFAOYSA-N 1 1 322.836 3.765 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000439458770 338370230 /nfs/dbraw/zinc/37/02/30/338370230.db2.gz UKCWJCKTGLJDHJ-LLVKDONJSA-N 1 1 315.760 3.971 20 30 DHEDMO CC[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000439483800 338371396 /nfs/dbraw/zinc/37/13/96/338371396.db2.gz BBDPMINYEUSUQV-INIZCTEOSA-N 1 1 311.347 3.558 20 30 DHEDMO C=CCC[C@@H]([NH2+]Cc1nc(C(=O)OC)cs1)c1ccccc1 ZINC000450676457 338698090 /nfs/dbraw/zinc/69/80/90/338698090.db2.gz DKILPOLKRYHFOM-CQSZACIVSA-N 1 1 316.426 3.727 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000459295357 339019841 /nfs/dbraw/zinc/01/98/41/339019841.db2.gz PVINTJDIHVVBFM-KRWDZBQOSA-N 1 1 321.380 3.674 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C1CC(OC(C)C)C1 ZINC000459469843 339031062 /nfs/dbraw/zinc/03/10/62/339031062.db2.gz SPEVPHJERDOYSI-UHFFFAOYSA-N 1 1 305.466 3.798 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000459484808 339032074 /nfs/dbraw/zinc/03/20/74/339032074.db2.gz HZXQNQPRGRJOEY-QGZVFWFLSA-N 1 1 321.380 3.846 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000459484808 339032075 /nfs/dbraw/zinc/03/20/75/339032075.db2.gz HZXQNQPRGRJOEY-QGZVFWFLSA-N 1 1 321.380 3.846 20 30 DHEDMO C=CCOc1ccc(C[NH+]2CC3(C2)CCOCC3)cc1Cl ZINC000459620679 339038853 /nfs/dbraw/zinc/03/88/53/339038853.db2.gz NTQPYDFPWDFBEF-UHFFFAOYSA-N 1 1 307.821 3.517 20 30 DHEDMO N#Cc1ccccc1N1CCC[N@H+]([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000463080208 339104968 /nfs/dbraw/zinc/10/49/68/339104968.db2.gz UDKCCYVDXHUMRG-FPOVZHCZSA-N 1 1 317.436 3.626 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000464725045 339150098 /nfs/dbraw/zinc/15/00/98/339150098.db2.gz LIFCPCDQWBNRGK-QAPCUYQASA-N 1 1 318.436 3.633 20 30 DHEDMO CCC[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000464839919 339156832 /nfs/dbraw/zinc/15/68/32/339156832.db2.gz RVHUDFODPKOCGT-WMZOPIPTSA-N 1 1 319.493 3.620 20 30 DHEDMO C=CCCCCCN(C)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466309758 339199150 /nfs/dbraw/zinc/19/91/50/339199150.db2.gz YBRNJVGQEJPWFC-SFHVURJKSA-N 1 1 321.509 3.639 20 30 DHEDMO CCC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000466464420 339206201 /nfs/dbraw/zinc/20/62/01/339206201.db2.gz MUBGLUXNOHNSBY-CYBMUJFWSA-N 1 1 319.836 3.662 20 30 DHEDMO CCC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000466464420 339206202 /nfs/dbraw/zinc/20/62/02/339206202.db2.gz MUBGLUXNOHNSBY-CYBMUJFWSA-N 1 1 319.836 3.662 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000466649166 339211927 /nfs/dbraw/zinc/21/19/27/339211927.db2.gz YBAABFKCYYIZRD-KRWDZBQOSA-N 1 1 314.473 3.712 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000466663236 339212328 /nfs/dbraw/zinc/21/23/28/339212328.db2.gz CWSKSROXVAQJEK-AEFFLSMTSA-N 1 1 306.494 3.750 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000466682216 339212885 /nfs/dbraw/zinc/21/28/85/339212885.db2.gz XHERSRQMVRNMRS-OKILXGFUSA-N 1 1 304.459 3.776 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000466682216 339212886 /nfs/dbraw/zinc/21/28/86/339212886.db2.gz XHERSRQMVRNMRS-OKILXGFUSA-N 1 1 304.459 3.776 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(C(=O)OC)s1)Cc1ccccc1 ZINC000466798726 339217253 /nfs/dbraw/zinc/21/72/53/339217253.db2.gz AORWARSWTDVKBI-UHFFFAOYSA-N 1 1 301.411 3.723 20 30 DHEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)s1)Cc1ccccc1 ZINC000466798726 339217254 /nfs/dbraw/zinc/21/72/54/339217254.db2.gz AORWARSWTDVKBI-UHFFFAOYSA-N 1 1 301.411 3.723 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000467288325 339230035 /nfs/dbraw/zinc/23/00/35/339230035.db2.gz NSIQTRMAIAXWJB-UHFFFAOYSA-N 1 1 310.397 3.925 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000467293154 339230110 /nfs/dbraw/zinc/23/01/10/339230110.db2.gz INDCNBZNQARAHD-LLVKDONJSA-N 1 1 315.244 3.679 20 30 DHEDMO C=CCC[N@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000467293473 339230208 /nfs/dbraw/zinc/23/02/08/339230208.db2.gz KLTWETXSMLKWIU-UHFFFAOYSA-N 1 1 302.399 3.547 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000467904727 339249028 /nfs/dbraw/zinc/24/90/28/339249028.db2.gz WBZWCZMRANWJSK-ICSRJNTNSA-N 1 1 314.473 3.616 20 30 DHEDMO C=C[C@](C)(CC)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000467993756 339250605 /nfs/dbraw/zinc/25/06/05/339250605.db2.gz JNVGQNOVHXSKHX-LJQANCHMSA-N 1 1 300.446 3.864 20 30 DHEDMO C=CCOCCC[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000470762162 339327047 /nfs/dbraw/zinc/32/70/47/339327047.db2.gz POUBNZMKYGXQDH-UHFFFAOYSA-N 1 1 300.229 3.944 20 30 DHEDMO C=CCOCCC[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000470762162 339327048 /nfs/dbraw/zinc/32/70/48/339327048.db2.gz POUBNZMKYGXQDH-UHFFFAOYSA-N 1 1 300.229 3.944 20 30 DHEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000470960688 339332944 /nfs/dbraw/zinc/33/29/44/339332944.db2.gz TXHMGSAOBLWLEZ-SMDDNHRTSA-N 1 1 301.739 3.964 20 30 DHEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000470960688 339332945 /nfs/dbraw/zinc/33/29/45/339332945.db2.gz TXHMGSAOBLWLEZ-SMDDNHRTSA-N 1 1 301.739 3.964 20 30 DHEDMO N#C[C@@H]1CC[C@H]([NH2+][C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000471889097 339356866 /nfs/dbraw/zinc/35/68/66/339356866.db2.gz NAZOQPCJZFUZBV-AYOQOUSVSA-N 1 1 319.408 3.648 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000472744190 339376773 /nfs/dbraw/zinc/37/67/73/339376773.db2.gz BQFCZBDCAITRPZ-PZJWPPBQSA-N 1 1 307.437 3.961 20 30 DHEDMO C=CCN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(OC)cc1 ZINC000472751689 339376854 /nfs/dbraw/zinc/37/68/54/339376854.db2.gz NVOIXPRVUSGFCU-SFHVURJKSA-N 1 1 302.462 3.558 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000472749803 339376940 /nfs/dbraw/zinc/37/69/40/339376940.db2.gz LUQYJCJYXVKYHH-IEBWSBKVSA-N 1 1 303.446 3.939 20 30 DHEDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCCCC(C)(C)C#N ZINC000496598749 340008531 /nfs/dbraw/zinc/00/85/31/340008531.db2.gz FJGXJZZQGIPLRL-CQSZACIVSA-N 1 1 311.470 3.551 20 30 DHEDMO CC(C)[C@H](CC[N@@H+](C)[C@H](C)CCC#N)NC(=O)OC(C)(C)C ZINC000496728762 340011477 /nfs/dbraw/zinc/01/14/77/340011477.db2.gz XCOTULJLAFQSKF-CABCVRRESA-N 1 1 311.470 3.550 20 30 DHEDMO CC[N@@H+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@H](C)C#N ZINC000497010065 340018143 /nfs/dbraw/zinc/01/81/43/340018143.db2.gz VTLCLYMNFIDANL-HZPDHXFCSA-N 1 1 323.481 3.505 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CCO[C@@H](C(C)C)C2)ccc1OC ZINC000497116186 340020803 /nfs/dbraw/zinc/02/08/03/340020803.db2.gz QIZROYSZAQTGMR-LJQANCHMSA-N 1 1 319.445 3.507 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCO[C@@H](C(C)C)C2)ccc1OC ZINC000497116186 340020804 /nfs/dbraw/zinc/02/08/04/340020804.db2.gz QIZROYSZAQTGMR-LJQANCHMSA-N 1 1 319.445 3.507 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2c2cccc(Cl)c2)C1=O ZINC000499736819 340043829 /nfs/dbraw/zinc/04/38/29/340043829.db2.gz XCCPYWYEZVLZGR-DLBZAZTESA-N 1 1 318.848 3.654 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2c2cccc(Cl)c2)C1=O ZINC000499736819 340043830 /nfs/dbraw/zinc/04/38/30/340043830.db2.gz XCCPYWYEZVLZGR-DLBZAZTESA-N 1 1 318.848 3.654 20 30 DHEDMO C=CCOc1ccc(CNCC[N@H+]2CCCC[C@@H]2CC)cc1 ZINC000500897242 340069412 /nfs/dbraw/zinc/06/94/12/340069412.db2.gz WYXRJPBIFNFPFP-SFHVURJKSA-N 1 1 302.462 3.606 20 30 DHEDMO C=CCOc1ccc(CNCC[N@@H+]2CCCC[C@@H]2CC)cc1 ZINC000500897242 340069413 /nfs/dbraw/zinc/06/94/13/340069413.db2.gz WYXRJPBIFNFPFP-SFHVURJKSA-N 1 1 302.462 3.606 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000501212735 340076195 /nfs/dbraw/zinc/07/61/95/340076195.db2.gz WYTJEURGWRGPNM-UHFFFAOYSA-N 1 1 316.470 3.819 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000501218742 340076378 /nfs/dbraw/zinc/07/63/78/340076378.db2.gz RLUJEIKMAROINZ-DNVCBOLYSA-N 1 1 306.409 3.945 20 30 DHEDMO C[C@@H](c1ccccc1F)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000502071963 340094727 /nfs/dbraw/zinc/09/47/27/340094727.db2.gz RANWLYPRBMAKBQ-INIZCTEOSA-N 1 1 323.415 3.971 20 30 DHEDMO C=CC[C@H](C(=O)Nc1cc(C)c2[nH+]ccn2c1)c1ccccc1 ZINC000502885369 340115640 /nfs/dbraw/zinc/11/56/40/340115640.db2.gz AHVLYXDYXFNDQL-KRWDZBQOSA-N 1 1 305.381 3.941 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cccs2)cc1OC ZINC000505565156 340171232 /nfs/dbraw/zinc/17/12/32/340171232.db2.gz SYALRLDIUKPXIJ-UHFFFAOYSA-N 1 1 303.427 3.954 20 30 DHEDMO C[N@@H+](CCSc1ccccc1F)Cc1cccc(C#N)c1 ZINC000506136784 340186598 /nfs/dbraw/zinc/18/65/98/340186598.db2.gz SPNNERQIAWZRMV-UHFFFAOYSA-N 1 1 300.402 3.921 20 30 DHEDMO C=CCOc1cccc(C[N@@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000506326338 340192320 /nfs/dbraw/zinc/19/23/20/340192320.db2.gz LMRFQGSGAQXLFD-UHFFFAOYSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1cccc(C[N@H+](C)C2CCN(C(C)C)CC2)c1 ZINC000506326338 340192321 /nfs/dbraw/zinc/19/23/21/340192321.db2.gz LMRFQGSGAQXLFD-UHFFFAOYSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000506367735 340193375 /nfs/dbraw/zinc/19/33/75/340193375.db2.gz FUDKVMYSTUKCHH-FQEVSTJZSA-N 1 1 309.409 3.825 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000506367735 340193376 /nfs/dbraw/zinc/19/33/76/340193376.db2.gz FUDKVMYSTUKCHH-FQEVSTJZSA-N 1 1 309.409 3.825 20 30 DHEDMO CC(C)[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(F)cc1 ZINC000507173287 340211036 /nfs/dbraw/zinc/21/10/36/340211036.db2.gz LIDYHORYVGXALT-UHFFFAOYSA-N 1 1 322.387 3.756 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCO2 ZINC000507176655 340211316 /nfs/dbraw/zinc/21/13/16/340211316.db2.gz YOYHYKCNICZMJE-UHFFFAOYSA-N 1 1 306.409 3.904 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000507206437 340213250 /nfs/dbraw/zinc/21/32/50/340213250.db2.gz OEFMPCAMDCIBKF-ROUUACIJSA-N 1 1 314.473 3.597 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000509007475 340258002 /nfs/dbraw/zinc/25/80/02/340258002.db2.gz RUROKLQFZLCRIK-INIZCTEOSA-N 1 1 312.413 3.593 20 30 DHEDMO C=C(C)CC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000509297404 340265673 /nfs/dbraw/zinc/26/56/73/340265673.db2.gz ZMHQRIQPOJCOEU-OAHLLOKOSA-N 1 1 310.235 3.789 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000509372930 340267787 /nfs/dbraw/zinc/26/77/87/340267787.db2.gz OPGBSLAJNSHJQZ-QGZVFWFLSA-N 1 1 315.461 3.795 20 30 DHEDMO C=CCCCC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510128245 340289810 /nfs/dbraw/zinc/28/98/10/340289810.db2.gz AWBQPDYVKVIUIJ-PKOBYXMFSA-N 1 1 314.473 3.760 20 30 DHEDMO COc1cccc(C2([NH2+]Cc3ccc(C#N)cc3Cl)CC2)c1 ZINC000510140389 340290163 /nfs/dbraw/zinc/29/01/63/340290163.db2.gz RFBBTPZKCKMQHM-UHFFFAOYSA-N 1 1 312.800 3.999 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000303550962 340333293 /nfs/dbraw/zinc/33/32/93/340333293.db2.gz HCSQZLPDZCHAGW-UHFFFAOYSA-N 1 1 324.399 3.783 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000511929464 340343131 /nfs/dbraw/zinc/34/31/31/340343131.db2.gz YTCZXAZMXXCUPW-MRXNPFEDSA-N 1 1 306.409 3.979 20 30 DHEDMO CC[C@@H]1CCCC[N@H+]1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000512612862 340368945 /nfs/dbraw/zinc/36/89/45/340368945.db2.gz QGYKWPIHUPBFJD-GDBMZVCRSA-N 1 1 303.425 3.612 20 30 DHEDMO CC[C@@H]1CCCCN1CC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512612862 340368946 /nfs/dbraw/zinc/36/89/46/340368946.db2.gz QGYKWPIHUPBFJD-GDBMZVCRSA-N 1 1 303.425 3.612 20 30 DHEDMO CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000512610625 340368957 /nfs/dbraw/zinc/36/89/57/340368957.db2.gz CROXNOXLZAMMPV-NVXWUHKLSA-N 1 1 317.452 3.858 20 30 DHEDMO CC(C)CN1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512610625 340368958 /nfs/dbraw/zinc/36/89/58/340368958.db2.gz CROXNOXLZAMMPV-NVXWUHKLSA-N 1 1 317.452 3.858 20 30 DHEDMO CCC(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)N(C)C ZINC000512621038 340369347 /nfs/dbraw/zinc/36/93/47/340369347.db2.gz URQIDNOZAZXBNK-FZKQIMNGSA-N 1 1 305.441 3.714 20 30 DHEDMO C[C@H](NC[C@H](C)[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000512621554 340369499 /nfs/dbraw/zinc/36/94/99/340369499.db2.gz ZGWWLJLOGRTABJ-ILXRZTDVSA-N 1 1 303.425 3.611 20 30 DHEDMO C[C@H]([NH2+]C[C@H](C)N1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000512621554 340369500 /nfs/dbraw/zinc/36/95/00/340369500.db2.gz ZGWWLJLOGRTABJ-ILXRZTDVSA-N 1 1 303.425 3.611 20 30 DHEDMO C[C@H]([NH2+]CC(C)(C)N1CCCCC1)c1ccc(C#N)cc1F ZINC000512628058 340369869 /nfs/dbraw/zinc/36/98/69/340369869.db2.gz CPAZFNWHQKQLOZ-AWEZNQCLSA-N 1 1 303.425 3.612 20 30 DHEDMO CCc1ccc([C@@H](CO)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000305825547 340389872 /nfs/dbraw/zinc/38/98/72/340389872.db2.gz QUCSNKHTCSHDGK-BFUOFWGJSA-N 1 1 312.388 3.644 20 30 DHEDMO CCC(C#N)(CC)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000529262180 340751140 /nfs/dbraw/zinc/75/11/40/340751140.db2.gz QPVIFCUFPNVDLZ-UHFFFAOYSA-N 1 1 307.825 3.670 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000564253573 341000358 /nfs/dbraw/zinc/00/03/58/341000358.db2.gz UAKOCDRWEFMOCM-FXAWDEMLSA-N 1 1 311.425 3.954 20 30 DHEDMO C[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC(C)(C)C1 ZINC000542254531 341002006 /nfs/dbraw/zinc/00/20/06/341002006.db2.gz OCLXUMJYRMHGDS-GFCCVEGCSA-N 1 1 319.836 3.518 20 30 DHEDMO C[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC(C)(C)C1 ZINC000542254531 341002007 /nfs/dbraw/zinc/00/20/07/341002007.db2.gz OCLXUMJYRMHGDS-GFCCVEGCSA-N 1 1 319.836 3.518 20 30 DHEDMO COc1cc(C[NH2+]C[C@@H](C)C#N)c(-c2ccccc2)cc1OC ZINC000543622451 341051425 /nfs/dbraw/zinc/05/14/25/341051425.db2.gz NAGHMPNWVYCPDW-AWEZNQCLSA-N 1 1 310.397 3.620 20 30 DHEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000544068358 341069006 /nfs/dbraw/zinc/06/90/06/341069006.db2.gz JUBTZTOPGURPID-QRWLVFNGSA-N 1 1 306.409 3.577 20 30 DHEDMO C[N@@H+](Cc1ccc(CC#N)cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000544142737 341071943 /nfs/dbraw/zinc/07/19/43/341071943.db2.gz HNPQPJFKUJQSEB-OAQYLSRUSA-N 1 1 319.452 3.853 20 30 DHEDMO C=CC[N@H+](CCCc1cc(CC)no1)Cc1ccc(OC)cc1 ZINC000564294610 341142800 /nfs/dbraw/zinc/14/28/00/341142800.db2.gz FCVUPLCXDBQZJG-UHFFFAOYSA-N 1 1 314.429 3.866 20 30 DHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCCSCC#N)C12CCCCC2 ZINC000074991525 341159052 /nfs/dbraw/zinc/15/90/52/341159052.db2.gz FRKKOMKLDMYWIB-CVEARBPZSA-N 1 1 310.507 3.693 20 30 DHEDMO C=C(C)C[N@@H+](CC)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000077247133 341221452 /nfs/dbraw/zinc/22/14/52/341221452.db2.gz IEWKYOIUIZWJFH-UHFFFAOYSA-N 1 1 305.809 3.831 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000078624378 341245118 /nfs/dbraw/zinc/24/51/18/341245118.db2.gz IWMCRVPWEDAVMA-LSDHHAIUSA-N 1 1 306.475 3.698 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000548788383 341275618 /nfs/dbraw/zinc/27/56/18/341275618.db2.gz SFOFXWXLKOCWOM-IBGZPJMESA-N 1 1 319.408 3.799 20 30 DHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245425611 341292914 /nfs/dbraw/zinc/29/29/14/341292914.db2.gz KTNOTPKZMJKCLY-CLCXKQKWSA-N 1 1 319.408 3.578 20 30 DHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245425611 341292915 /nfs/dbraw/zinc/29/29/15/341292915.db2.gz KTNOTPKZMJKCLY-CLCXKQKWSA-N 1 1 319.408 3.578 20 30 DHEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000551147930 341332539 /nfs/dbraw/zinc/33/25/39/341332539.db2.gz KNISLPAKTGRWIH-IRXDYDNUSA-N 1 1 306.494 3.702 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000249129622 341394378 /nfs/dbraw/zinc/39/43/78/341394378.db2.gz VQLJCRRYKHBDJQ-ZHALLVOQSA-N 1 1 306.494 3.702 20 30 DHEDMO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1[N+](=O)[O-] ZINC000090117318 341413582 /nfs/dbraw/zinc/41/35/82/341413582.db2.gz OUAMXMQHPWRSIM-GFCCVEGCSA-N 1 1 313.332 3.765 20 30 DHEDMO N#CCC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000576389463 341843789 /nfs/dbraw/zinc/84/37/89/341843789.db2.gz VILLETRQMYWUJU-CYBMUJFWSA-N 1 1 301.390 3.830 20 30 DHEDMO COC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000193278858 518092948 /nfs/dbraw/zinc/09/29/48/518092948.db2.gz PCYCHUWEWDPDMQ-KRWDZBQOSA-N 1 1 318.779 3.828 20 30 DHEDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1c1cccc(F)c1C#N ZINC000364829410 519879941 /nfs/dbraw/zinc/87/99/41/519879941.db2.gz YXVCPAQWGUUHFF-CQSZACIVSA-N 1 1 312.392 3.686 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000157391802 522041390 /nfs/dbraw/zinc/04/13/90/522041390.db2.gz SIDYCIGTYYHOSG-GOSISDBHSA-N 1 1 322.408 3.783 20 30 DHEDMO Cn1cc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1C#N ZINC000191150227 523166248 /nfs/dbraw/zinc/16/62/48/523166248.db2.gz DPQCUBKUZHTLKN-UHFFFAOYSA-N 1 1 322.456 3.519 20 30 DHEDMO CC[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000245459323 523708599 /nfs/dbraw/zinc/70/85/99/523708599.db2.gz VHCQYHHOFGSGII-ACJLOTCBSA-N 1 1 317.433 3.607 20 30 DHEDMO CC[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000245459323 523708604 /nfs/dbraw/zinc/70/86/04/523708604.db2.gz VHCQYHHOFGSGII-ACJLOTCBSA-N 1 1 317.433 3.607 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1 ZINC000180552493 524114510 /nfs/dbraw/zinc/11/45/10/524114510.db2.gz TVVVUWPSZLYAGO-CQSZACIVSA-N 1 1 322.412 3.513 20 30 DHEDMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000189348202 524274120 /nfs/dbraw/zinc/27/41/20/524274120.db2.gz ZPEITJIMAMDTOF-INIZCTEOSA-N 1 1 321.424 3.807 20 30 DHEDMO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000189348202 524274128 /nfs/dbraw/zinc/27/41/28/524274128.db2.gz ZPEITJIMAMDTOF-INIZCTEOSA-N 1 1 321.424 3.807 20 30 DHEDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000127235921 524895128 /nfs/dbraw/zinc/89/51/28/524895128.db2.gz NLZPJAXPCUTDNH-UXHICEINSA-N 1 1 306.409 3.737 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccncc1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000366293566 525545827 /nfs/dbraw/zinc/54/58/27/525545827.db2.gz USEGFFSQURABQQ-CYBMUJFWSA-N 1 1 320.421 3.928 20 30 DHEDMO C[C@@H]([NH2+]Cc1nccn1Cc1ccccc1)c1ccc(C#N)cc1 ZINC000338363944 525564110 /nfs/dbraw/zinc/56/41/10/525564110.db2.gz SFELVLSZLUCFGA-MRXNPFEDSA-N 1 1 316.408 3.654 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1 ZINC000158575403 526252094 /nfs/dbraw/zinc/25/20/94/526252094.db2.gz NJJFREHQGUJAFJ-AWEZNQCLSA-N 1 1 322.412 3.513 20 30 DHEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)o1 ZINC000124678747 526621421 /nfs/dbraw/zinc/62/14/21/526621421.db2.gz AZNOEWIJANRMST-UHFFFAOYSA-N 1 1 302.324 3.989 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000823877807 609370487 /nfs/dbraw/zinc/37/04/87/609370487.db2.gz GBWVCSWDWCFYLO-UHFFFAOYSA-N 1 1 319.412 3.542 20 30 DHEDMO C=CCCC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001209163275 1013054387 /nfs/dbraw/zinc/05/43/87/1013054387.db2.gz BFYULTSHYABMGR-UHFFFAOYSA-N 1 1 318.461 3.980 20 30 DHEDMO CC(C)[N@@H+](CCOc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000517860347 1013090438 /nfs/dbraw/zinc/09/04/38/1013090438.db2.gz YTGLRISCHLRGEN-UHFFFAOYSA-N 1 1 312.388 3.987 20 30 DHEDMO C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1CCCSCC#N ZINC000517931082 1013099824 /nfs/dbraw/zinc/09/98/24/1013099824.db2.gz WCPBGVKYAMWSTG-QGZVFWFLSA-N 1 1 306.450 3.870 20 30 DHEDMO Cc1cccc(NCCNc2ccc(C(F)(F)F)c(C#N)c2)[nH+]1 ZINC000361708489 1032064100 /nfs/dbraw/zinc/06/41/00/1032064100.db2.gz OHPGLKJQWSZNFH-UHFFFAOYSA-N 1 1 320.318 3.805 20 30 DHEDMO C=CCCCCCC[N@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001209436169 1013278029 /nfs/dbraw/zinc/27/80/29/1013278029.db2.gz OFADCJVWOPZUKF-UHFFFAOYSA-N 1 1 301.356 3.854 20 30 DHEDMO C=CCCCCCC[N@@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001209436169 1013278034 /nfs/dbraw/zinc/27/80/34/1013278034.db2.gz OFADCJVWOPZUKF-UHFFFAOYSA-N 1 1 301.356 3.854 20 30 DHEDMO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000247065611 1013338761 /nfs/dbraw/zinc/33/87/61/1013338761.db2.gz WIZOGWAFMWJIPC-LIRRHRJNSA-N 1 1 310.372 3.659 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H](c2ccc(F)cc2)O1 ZINC000247065611 1013338772 /nfs/dbraw/zinc/33/87/72/1013338772.db2.gz WIZOGWAFMWJIPC-LIRRHRJNSA-N 1 1 310.372 3.659 20 30 DHEDMO C=CCCC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC001168295789 1032072401 /nfs/dbraw/zinc/07/24/01/1032072401.db2.gz RPOHJCSCHKUFBY-XLIONFOSSA-N 1 1 315.505 3.889 20 30 DHEDMO Cc1cccc2c1CC[N@H+](Cc1cn3ccccc3c1C#N)C2 ZINC000729479407 1013579116 /nfs/dbraw/zinc/57/91/16/1013579116.db2.gz LAIAUGVZVMWPNA-UHFFFAOYSA-N 1 1 301.393 3.678 20 30 DHEDMO Cc1cccc2c1CC[N@@H+](Cc1cn3ccccc3c1C#N)C2 ZINC000729479407 1013579124 /nfs/dbraw/zinc/57/91/24/1013579124.db2.gz LAIAUGVZVMWPNA-UHFFFAOYSA-N 1 1 301.393 3.678 20 30 DHEDMO COc1cc(C[N@H+](C)CC#Cc2ccccc2Cl)ccc1O ZINC000441145322 1013673367 /nfs/dbraw/zinc/67/33/67/1013673367.db2.gz LSBNCZNPFBJLGT-UHFFFAOYSA-N 1 1 315.800 3.538 20 30 DHEDMO COc1cc(C[N@@H+](C)CC#Cc2ccccc2Cl)ccc1O ZINC000441145322 1013673370 /nfs/dbraw/zinc/67/33/70/1013673370.db2.gz LSBNCZNPFBJLGT-UHFFFAOYSA-N 1 1 315.800 3.538 20 30 DHEDMO C=CCCC(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000102337356 1013759352 /nfs/dbraw/zinc/75/93/52/1013759352.db2.gz AFNVZRKXBAHSLG-FUHWJXTLSA-N 1 1 300.446 3.637 20 30 DHEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328675002 1013791657 /nfs/dbraw/zinc/79/16/57/1013791657.db2.gz QKZZNDWQUWNYRP-XUWVNRHRSA-N 1 1 323.481 3.599 20 30 DHEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328679070 1013792139 /nfs/dbraw/zinc/79/21/39/1013792139.db2.gz TVCGWUQFRAILLM-CVEARBPZSA-N 1 1 323.481 3.600 20 30 DHEDMO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328686783 1013792248 /nfs/dbraw/zinc/79/22/48/1013792248.db2.gz GMVMYBTUKGMYAD-HZPDHXFCSA-N 1 1 312.417 3.505 20 30 DHEDMO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328686783 1013792254 /nfs/dbraw/zinc/79/22/54/1013792254.db2.gz GMVMYBTUKGMYAD-HZPDHXFCSA-N 1 1 312.417 3.505 20 30 DHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ncoc2C2CC2)C1 ZINC000328842193 1013801646 /nfs/dbraw/zinc/80/16/46/1013801646.db2.gz HYGCDQCUYYTNMK-ZDUSSCGKSA-N 1 1 319.449 3.757 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2ccc(OCCC)cc2)CC1 ZINC000106246347 1032074403 /nfs/dbraw/zinc/07/44/03/1032074403.db2.gz PIVZOMVYAFXVRM-UHFFFAOYSA-N 1 1 302.462 3.606 20 30 DHEDMO Cc1nc(C)c(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)s1 ZINC000330936703 1013847811 /nfs/dbraw/zinc/84/78/11/1013847811.db2.gz SSXDFDPKWUDEII-LLVKDONJSA-N 1 1 324.494 3.596 20 30 DHEDMO CCOc1ccccc1OCC[N@H+](CCC#N)CC(C)(C)C ZINC000441452581 1013890574 /nfs/dbraw/zinc/89/05/74/1013890574.db2.gz AZMWQFQTDRDEKQ-UHFFFAOYSA-N 1 1 304.434 3.726 20 30 DHEDMO CCOc1ccccc1OCC[N@@H+](CCC#N)CC(C)(C)C ZINC000441452581 1013890581 /nfs/dbraw/zinc/89/05/81/1013890581.db2.gz AZMWQFQTDRDEKQ-UHFFFAOYSA-N 1 1 304.434 3.726 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc2[nH]ccc21 ZINC000348642709 1014011332 /nfs/dbraw/zinc/01/13/32/1014011332.db2.gz LCPIZPDDHNHYRM-UHFFFAOYSA-N 1 1 310.397 3.832 20 30 DHEDMO C=C(C)C[N@@H+](CC)[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000124168431 1014040899 /nfs/dbraw/zinc/04/08/99/1014040899.db2.gz HMPGGYIGYRRZQI-LLVKDONJSA-N 1 1 304.463 3.849 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000124168431 1014040904 /nfs/dbraw/zinc/04/09/04/1014040904.db2.gz HMPGGYIGYRRZQI-LLVKDONJSA-N 1 1 304.463 3.849 20 30 DHEDMO C[N@@H+](CCC(C)(C)C#N)Cc1csc(Br)c1 ZINC000087595332 1026861438 /nfs/dbraw/zinc/86/14/38/1026861438.db2.gz UQVDJCYYSCIWRN-UHFFFAOYSA-N 1 1 301.253 3.882 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000441467600 1014181233 /nfs/dbraw/zinc/18/12/33/1014181233.db2.gz FPIYFOUBTYOFAW-PVAVHDDUSA-N 1 1 314.429 3.599 20 30 DHEDMO CC(C)C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000119190031 1014209409 /nfs/dbraw/zinc/20/94/09/1014209409.db2.gz TWGOXHVLGWDPBA-MRXNPFEDSA-N 1 1 313.445 3.645 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)o1 ZINC000130771206 1014257921 /nfs/dbraw/zinc/25/79/21/1014257921.db2.gz PUHYTEJWYPDGRM-GOSISDBHSA-N 1 1 313.372 3.754 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)o1 ZINC000130771206 1014257924 /nfs/dbraw/zinc/25/79/24/1014257924.db2.gz PUHYTEJWYPDGRM-GOSISDBHSA-N 1 1 313.372 3.754 20 30 DHEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000520525485 1014323758 /nfs/dbraw/zinc/32/37/58/1014323758.db2.gz IRSOCUYRYZKEER-RJYAGPCLSA-N 1 1 321.509 3.578 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191244787 1014328002 /nfs/dbraw/zinc/32/80/02/1014328002.db2.gz XDTHGDKNMQCWSZ-OAHLLOKOSA-N 1 1 301.352 3.768 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc1Cl ZINC000276075563 1014641273 /nfs/dbraw/zinc/64/12/73/1014641273.db2.gz UMUCRVJQHIDIBH-SHTZXODSSA-N 1 1 309.837 3.640 20 30 DHEDMO CC[N@@H+](CCOc1cccc(C#N)c1)CCc1cccs1 ZINC000521191423 1014661041 /nfs/dbraw/zinc/66/10/41/1014661041.db2.gz MFJLCPIBXKGAOG-UHFFFAOYSA-N 1 1 300.427 3.563 20 30 DHEDMO CCC[N@@H+](CCOc1ccccc1C#N)Cc1ccc(F)cc1 ZINC000521195650 1014664958 /nfs/dbraw/zinc/66/49/58/1014664958.db2.gz MMMYTXSVFDALIY-UHFFFAOYSA-N 1 1 312.388 3.988 20 30 DHEDMO Cc1csc(C[C@@H]2CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000933132055 1014689150 /nfs/dbraw/zinc/68/91/50/1014689150.db2.gz YSSICRFMGFZVQU-HOCLYGCPSA-N 1 1 311.454 3.949 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)c(OC)c1 ZINC000442810388 1014740693 /nfs/dbraw/zinc/74/06/93/1014740693.db2.gz NFBWURJEVGHRQO-UHFFFAOYSA-N 1 1 319.408 3.851 20 30 DHEDMO COc1cc(C[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)ccc1C#N ZINC000442883026 1014760532 /nfs/dbraw/zinc/76/05/32/1014760532.db2.gz GHLRGPYKDZJIDC-DNVCBOLYSA-N 1 1 306.409 3.945 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000442950687 1014774647 /nfs/dbraw/zinc/77/46/47/1014774647.db2.gz ZYFWIWSIRSAXBP-FQEVSTJZSA-N 1 1 320.521 3.949 20 30 DHEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000521818096 1014808356 /nfs/dbraw/zinc/80/83/56/1014808356.db2.gz MMNMPXALWNKLNH-INIZCTEOSA-N 1 1 320.436 3.620 20 30 DHEDMO COCC[N@@H+](CCOc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000521859736 1014820209 /nfs/dbraw/zinc/82/02/09/1014820209.db2.gz PWJYWXPMRPTERT-KRWDZBQOSA-N 1 1 324.424 3.647 20 30 DHEDMO C=CC[N@H+](Cc1ccc(C(=O)NC)cc1)CC1CCCCC1 ZINC000522118076 1014902091 /nfs/dbraw/zinc/90/20/91/1014902091.db2.gz JBKUYPCEMQOIHV-UHFFFAOYSA-N 1 1 300.446 3.615 20 30 DHEDMO CCn1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(-c2ccccc2)n1 ZINC000895227820 1014955865 /nfs/dbraw/zinc/95/58/65/1014955865.db2.gz DQTLYPDRORMHPC-MRXNPFEDSA-N 1 1 308.429 3.696 20 30 DHEDMO Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc(C#N)n1 ZINC000308275323 1014982958 /nfs/dbraw/zinc/98/29/58/1014982958.db2.gz FJMSOZZHCCBPGZ-AEFFLSMTSA-N 1 1 320.440 3.727 20 30 DHEDMO C=CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000522268466 1014993251 /nfs/dbraw/zinc/99/32/51/1014993251.db2.gz SNIKDPLNXKJUCH-UHFFFAOYSA-N 1 1 302.399 3.887 20 30 DHEDMO C=CCCCCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000474099397 1015008141 /nfs/dbraw/zinc/00/81/41/1015008141.db2.gz UHDFDTKVHAJWFF-ROUUACIJSA-N 1 1 321.509 3.639 20 30 DHEDMO C=CCC[N@@H+](C)Cc1csc(COc2ccc(OC)cc2)n1 ZINC000276372409 1015019812 /nfs/dbraw/zinc/01/98/12/1015019812.db2.gz GZYADFSACCWCNI-UHFFFAOYSA-N 1 1 318.442 3.739 20 30 DHEDMO C=CCC[N@H+](C)Cc1csc(COc2ccc(OC)cc2)n1 ZINC000276372409 1015019825 /nfs/dbraw/zinc/01/98/25/1015019825.db2.gz GZYADFSACCWCNI-UHFFFAOYSA-N 1 1 318.442 3.739 20 30 DHEDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(C#N)c1 ZINC001167472771 1015026627 /nfs/dbraw/zinc/02/66/27/1015026627.db2.gz CZXBUWCPUHXCES-AWEZNQCLSA-N 1 1 314.816 3.595 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000477270891 1015165371 /nfs/dbraw/zinc/16/53/71/1015165371.db2.gz GLPLLWLKURBCJU-IBGZPJMESA-N 1 1 306.409 3.644 20 30 DHEDMO N#CC1CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000142023740 1015178165 /nfs/dbraw/zinc/17/81/65/1015178165.db2.gz SIHFBHKVJBUFNK-UHFFFAOYSA-N 1 1 301.777 3.731 20 30 DHEDMO C=CCN(CC[N@H+]1CCC[C@H]2CCC[C@H]21)C(=O)OC(C)(C)C ZINC001207203643 1015183884 /nfs/dbraw/zinc/18/38/84/1015183884.db2.gz LDLGGKLZWXYAQA-HZPDHXFCSA-N 1 1 308.466 3.674 20 30 DHEDMO C[N@H+](Cc1ccc(Br)cc1C#N)C[C@@H]1CC1(C)C ZINC001141814882 1015187265 /nfs/dbraw/zinc/18/72/65/1015187265.db2.gz TZFRJNHKQXHOBH-ZDUSSCGKSA-N 1 1 307.235 3.799 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000398972462 1015256179 /nfs/dbraw/zinc/25/61/79/1015256179.db2.gz ACXXFVJOJIWYNO-XUVXKRRUSA-N 1 1 312.457 3.658 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)c1 ZINC000895716052 1015272109 /nfs/dbraw/zinc/27/21/09/1015272109.db2.gz DGWTWBMERDKJLD-INIZCTEOSA-N 1 1 304.459 3.648 20 30 DHEDMO Cc1csc(C[C@H]2CCC[N@@H+](Cc3cc(C#N)cs3)C2)n1 ZINC000895821884 1015318312 /nfs/dbraw/zinc/31/83/12/1015318312.db2.gz HBXWQWCILGBLOD-CYBMUJFWSA-N 1 1 317.483 3.839 20 30 DHEDMO C=C1CCC(C(=O)NCc2ccccc2-n2cc[nH+]c2C)CC1 ZINC000895890180 1015349394 /nfs/dbraw/zinc/34/93/94/1015349394.db2.gz AFHBUKBXGTXXJF-UHFFFAOYSA-N 1 1 309.413 3.543 20 30 DHEDMO Cc1sc(NC(=O)C[NH+]2C3CCCC2CCC3)c(C#N)c1C ZINC000610543109 1015379087 /nfs/dbraw/zinc/37/90/87/1015379087.db2.gz KDJCNYBTHDLDAY-UHFFFAOYSA-N 1 1 317.458 3.582 20 30 DHEDMO Cc1csc(C[C@H]2CCC[N@@H+](Cc3csc(C#N)c3)C2)n1 ZINC000896053711 1015432952 /nfs/dbraw/zinc/43/29/52/1015432952.db2.gz AZDOTQYRKULAAZ-CYBMUJFWSA-N 1 1 317.483 3.839 20 30 DHEDMO CC(C)C[N@@H+](Cc1cnn(C)c1C1CC1)Cc1ccc(C#N)cc1 ZINC000891684808 1015524111 /nfs/dbraw/zinc/52/41/11/1015524111.db2.gz QARKELCSHNDTTG-UHFFFAOYSA-N 1 1 322.456 3.827 20 30 DHEDMO CCCOc1ccc2c(c1)CC[N@H+](CCc1ccc(C#N)cc1)C2 ZINC001168301628 1032118307 /nfs/dbraw/zinc/11/83/07/1032118307.db2.gz AZOHQBQWERFVLR-UHFFFAOYSA-N 1 1 320.436 3.948 20 30 DHEDMO Cc1c(Br)cccc1C[N@H+](CCC#N)CC1CC1 ZINC000341580363 1015546742 /nfs/dbraw/zinc/54/67/42/1015546742.db2.gz YGVLAWYOJIKMEL-UHFFFAOYSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1c(Br)cccc1C[N@@H+](CCC#N)CC1CC1 ZINC000341580363 1015546748 /nfs/dbraw/zinc/54/67/48/1015546748.db2.gz YGVLAWYOJIKMEL-UHFFFAOYSA-N 1 1 307.235 3.883 20 30 DHEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000933769666 1015656750 /nfs/dbraw/zinc/65/67/50/1015656750.db2.gz BVHSJJFTIONEBW-AEFFLSMTSA-N 1 1 312.438 3.972 20 30 DHEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000933769669 1015656923 /nfs/dbraw/zinc/65/69/23/1015656923.db2.gz BVHSJJFTIONEBW-WMZOPIPTSA-N 1 1 312.438 3.972 20 30 DHEDMO C[C@H]1CC[N@H+](Cc2cc(Br)ccc2C#N)[C@@H](C)C1 ZINC001141903113 1015669014 /nfs/dbraw/zinc/66/90/14/1015669014.db2.gz QSBNJNVIJWXJTM-RYUDHWBXSA-N 1 1 307.235 3.941 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2C#N)[C@@H](C)C1 ZINC001141903113 1015669022 /nfs/dbraw/zinc/66/90/22/1015669022.db2.gz QSBNJNVIJWXJTM-RYUDHWBXSA-N 1 1 307.235 3.941 20 30 DHEDMO CCOc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1OC ZINC000127387932 1015690596 /nfs/dbraw/zinc/69/05/96/1015690596.db2.gz LTQLJZCKWFZRRR-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO CCCOc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000127388186 1015692764 /nfs/dbraw/zinc/69/27/64/1015692764.db2.gz NZRRZPIWLONGBQ-UHFFFAOYSA-N 1 1 324.424 3.988 20 30 DHEDMO C[C@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1cccc(C#N)c1 ZINC000610658762 1015693893 /nfs/dbraw/zinc/69/38/93/1015693893.db2.gz YOWFIGSRRXVFMS-AWEZNQCLSA-N 1 1 302.381 3.799 20 30 DHEDMO CC(C)(C)OCCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000610682251 1015707582 /nfs/dbraw/zinc/70/75/82/1015707582.db2.gz IJGMEJBRRJBOLA-ROUUACIJSA-N 1 1 300.446 3.963 20 30 DHEDMO Cc1nc(C2CC2)oc1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000329513047 1015724026 /nfs/dbraw/zinc/72/40/26/1015724026.db2.gz LGCTYLAYIRLCQE-LBPRGKRZSA-N 1 1 319.449 3.676 20 30 DHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)C(C)C)c1 ZINC000341827941 1015757745 /nfs/dbraw/zinc/75/77/45/1015757745.db2.gz JELUILMMXJMISD-QGZVFWFLSA-N 1 1 315.461 3.526 20 30 DHEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(C)cc1 ZINC000535785848 1015822822 /nfs/dbraw/zinc/82/28/22/1015822822.db2.gz IBYTUFJWAGSOCZ-UHFFFAOYSA-N 1 1 304.397 3.537 20 30 DHEDMO N#CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000346344870 1015834547 /nfs/dbraw/zinc/83/45/47/1015834547.db2.gz DTVBXYDQDZVFTL-UHFFFAOYSA-N 1 1 302.381 3.543 20 30 DHEDMO C=C1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000341980396 1015861604 /nfs/dbraw/zinc/86/16/04/1015861604.db2.gz GWXAICMEONDRST-ZIAGYGMSSA-N 1 1 306.837 3.558 20 30 DHEDMO CCOc1ccc(C[N@@H+](CCCSCC#N)C(C)C)cc1 ZINC000342074540 1015913861 /nfs/dbraw/zinc/91/38/61/1015913861.db2.gz KFUXFHRFMWJHLW-UHFFFAOYSA-N 1 1 306.475 3.943 20 30 DHEDMO C=CCOCCC[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000342155396 1016087011 /nfs/dbraw/zinc/08/70/11/1016087011.db2.gz DOWWMZGFIJFDPO-LJQANCHMSA-N 1 1 301.430 3.550 20 30 DHEDMO Cc1ccc(C(C)(C)C[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)cc1 ZINC001167505551 1016167299 /nfs/dbraw/zinc/16/72/99/1016167299.db2.gz UHYCQEOPIILNEQ-SFHVURJKSA-N 1 1 314.473 3.649 20 30 DHEDMO COc1ccc(C#N)cc1C[NH2+]C(C)(C)c1ccccc1OC ZINC000119584659 1016166366 /nfs/dbraw/zinc/16/63/66/1016166366.db2.gz XTBQDZPZXPATPC-UHFFFAOYSA-N 1 1 310.397 3.600 20 30 DHEDMO C#CC[N@@H+](CC#CC)Cc1ccc(OCc2ccccc2F)cc1 ZINC001167506125 1016174205 /nfs/dbraw/zinc/17/42/05/1016174205.db2.gz YXKIYJIAXNXXKJ-UHFFFAOYSA-N 1 1 321.395 3.863 20 30 DHEDMO C#CC[N@H+](CC#CC)Cc1ccc(OCc2ccccc2F)cc1 ZINC001167506125 1016174209 /nfs/dbraw/zinc/17/42/09/1016174209.db2.gz YXKIYJIAXNXXKJ-UHFFFAOYSA-N 1 1 321.395 3.863 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000342271343 1016212958 /nfs/dbraw/zinc/21/29/58/1016212958.db2.gz LTKWIGRXZBREGY-CQSZACIVSA-N 1 1 311.429 3.960 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)cs1 ZINC000892118311 1016258161 /nfs/dbraw/zinc/25/81/61/1016258161.db2.gz VPXJPFWCTWIWSZ-INIZCTEOSA-N 1 1 310.422 3.857 20 30 DHEDMO C=C(Br)C[N@@H+](C)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001167533774 1016307066 /nfs/dbraw/zinc/30/70/66/1016307066.db2.gz LEKAPAWZTQRMDK-KBPBESRZSA-N 1 1 316.283 3.955 20 30 DHEDMO C=C(Br)C[N@H+](C)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001167533774 1016307074 /nfs/dbraw/zinc/30/70/74/1016307074.db2.gz LEKAPAWZTQRMDK-KBPBESRZSA-N 1 1 316.283 3.955 20 30 DHEDMO COc1cc(C[N@H+](C)Cc2ccccc2Cl)ccc1C#N ZINC000234929588 1016329012 /nfs/dbraw/zinc/32/90/12/1016329012.db2.gz SDARKMKEMQNBFP-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2ccccc2Cl)ccc1C#N ZINC000234929588 1016329021 /nfs/dbraw/zinc/32/90/21/1016329021.db2.gz SDARKMKEMQNBFP-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO COC1CCC(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000892200722 1016418680 /nfs/dbraw/zinc/41/86/80/1016418680.db2.gz HJCYQRLMJDTDRO-QUDVFMAMSA-N 1 1 312.457 3.963 20 30 DHEDMO CC1(C#N)CCC([N@@H+]2Cc3cc(Br)cnc3C2)CC1 ZINC001173599725 1033785280 /nfs/dbraw/zinc/78/52/80/1033785280.db2.gz PGVOLXGFITVION-UHFFFAOYSA-N 1 1 320.234 3.632 20 30 DHEDMO CC1(C#N)CCC([N@H+]2Cc3cc(Br)cnc3C2)CC1 ZINC001173599725 1033785293 /nfs/dbraw/zinc/78/52/93/1033785293.db2.gz PGVOLXGFITVION-UHFFFAOYSA-N 1 1 320.234 3.632 20 30 DHEDMO CCCC[N@@H+](CC(=O)N(CC)CCC#N)[C@H](C)c1ccccc1 ZINC000346633606 1016490872 /nfs/dbraw/zinc/49/08/72/1016490872.db2.gz XAGVARQHZPOBQW-QGZVFWFLSA-N 1 1 315.461 3.612 20 30 DHEDMO N#Cc1ccc(C2=CC[N@H+](Cc3ccnn3C3CCC3)CC2)cc1 ZINC000892246039 1016571511 /nfs/dbraw/zinc/57/15/11/1016571511.db2.gz KOJHZVPNWMASRH-UHFFFAOYSA-N 1 1 318.424 3.769 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccnn3C3CCC3)CC2)cc1 ZINC000892246039 1016571517 /nfs/dbraw/zinc/57/15/17/1016571517.db2.gz KOJHZVPNWMASRH-UHFFFAOYSA-N 1 1 318.424 3.769 20 30 DHEDMO CC(C)OC(=O)C[C@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000248629840 1016583511 /nfs/dbraw/zinc/58/35/11/1016583511.db2.gz QFCSHPLSHCEFMB-NVXWUHKLSA-N 1 1 314.429 3.673 20 30 DHEDMO N#Cc1ccc(CN2C[C@H]3CCC[N@H+]3Cc3ccccc32)c(F)c1 ZINC000342517717 1016656956 /nfs/dbraw/zinc/65/69/56/1016656956.db2.gz LCRUKAYCCOKLAS-GOSISDBHSA-N 1 1 321.399 3.682 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000346968441 1016661507 /nfs/dbraw/zinc/66/15/07/1016661507.db2.gz VUSPUTPSHHAYSQ-UHFFFAOYSA-N 1 1 321.471 3.708 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000172654453 1016705837 /nfs/dbraw/zinc/70/58/37/1016705837.db2.gz UCCDULYWSPBZJR-ZDUSSCGKSA-N 1 1 310.388 3.970 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000072630698 1016713548 /nfs/dbraw/zinc/71/35/48/1016713548.db2.gz XXDXDVJEIZWADA-UHFFFAOYSA-N 1 1 323.387 3.555 20 30 DHEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000934470370 1016762569 /nfs/dbraw/zinc/76/25/69/1016762569.db2.gz CKRMUBDAEHUITL-NWDGAFQWSA-N 1 1 312.335 3.683 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000934470370 1016762579 /nfs/dbraw/zinc/76/25/79/1016762579.db2.gz CKRMUBDAEHUITL-NWDGAFQWSA-N 1 1 312.335 3.683 20 30 DHEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000611609168 1016783488 /nfs/dbraw/zinc/78/34/88/1016783488.db2.gz HSMNCHDZVIYKPE-MRXNPFEDSA-N 1 1 324.371 3.573 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2OC)cc1 ZINC000127723194 1016813532 /nfs/dbraw/zinc/81/35/32/1016813532.db2.gz MIZISFQZAITOAS-IBGZPJMESA-N 1 1 322.408 3.913 20 30 DHEDMO N#CCCCCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159120863 1016874064 /nfs/dbraw/zinc/87/40/64/1016874064.db2.gz SPLUVZJGMHXQFY-UXHICEINSA-N 1 1 311.473 3.667 20 30 DHEDMO N#CCCCCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159120863 1016874083 /nfs/dbraw/zinc/87/40/83/1016874083.db2.gz SPLUVZJGMHXQFY-UXHICEINSA-N 1 1 311.473 3.667 20 30 DHEDMO C=CCCCCC[N@H+](C)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000444229087 1016888975 /nfs/dbraw/zinc/88/89/75/1016888975.db2.gz TZLXKUZOTDSXIB-UHFFFAOYSA-N 1 1 310.388 3.972 20 30 DHEDMO Cc1cc(NCC(C)(C)C#N)c2cc(OC(F)F)ccc2[nH+]1 ZINC000611617922 1016909172 /nfs/dbraw/zinc/90/91/72/1016909172.db2.gz RZSXGXGSFVARID-UHFFFAOYSA-N 1 1 305.328 3.528 20 30 DHEDMO C=CCCC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000665588223 1016950727 /nfs/dbraw/zinc/95/07/27/1016950727.db2.gz NRXZHDCXNFPEIC-SJORKVTESA-N 1 1 321.509 3.637 20 30 DHEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000342700567 1017037919 /nfs/dbraw/zinc/03/79/19/1017037919.db2.gz XJRQVIOPEISIEO-UHFFFAOYSA-N 1 1 308.381 3.503 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000186240707 1017058989 /nfs/dbraw/zinc/05/89/89/1017058989.db2.gz GGOXMMWWHKCDLN-QRWLVFNGSA-N 1 1 324.399 3.968 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000186240707 1017058995 /nfs/dbraw/zinc/05/89/95/1017058995.db2.gz GGOXMMWWHKCDLN-QRWLVFNGSA-N 1 1 324.399 3.968 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065509 1017232016 /nfs/dbraw/zinc/23/20/16/1017232016.db2.gz XBRHIXMSESPCCW-GBESFXJTSA-N 1 1 310.485 3.773 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000847028847 1032185219 /nfs/dbraw/zinc/18/52/19/1032185219.db2.gz IQDBFHOECQVSMP-QGZVFWFLSA-N 1 1 318.420 3.637 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000847028847 1032185222 /nfs/dbraw/zinc/18/52/22/1032185222.db2.gz IQDBFHOECQVSMP-QGZVFWFLSA-N 1 1 318.420 3.637 20 30 DHEDMO Cc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1C#N ZINC001168318150 1032232980 /nfs/dbraw/zinc/23/29/80/1032232980.db2.gz YZSNCLVWEMKSFF-UHFFFAOYSA-N 1 1 321.380 3.940 20 30 DHEDMO Cc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1C#N ZINC001168318150 1032232992 /nfs/dbraw/zinc/23/29/92/1032232992.db2.gz YZSNCLVWEMKSFF-UHFFFAOYSA-N 1 1 321.380 3.940 20 30 DHEDMO C#CC[N@H+](Cc1ccc(OC)c(SC(F)(F)F)c1)C1CC1 ZINC000763955023 1017072280 /nfs/dbraw/zinc/07/22/80/1017072280.db2.gz GSHVWKVEXBGHOH-UHFFFAOYSA-N 1 1 315.360 3.905 20 30 DHEDMO C=CCCC1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCCC1 ZINC001147172150 1032281978 /nfs/dbraw/zinc/28/19/78/1032281978.db2.gz JJFKFVJFWJUHOA-UHFFFAOYSA-N 1 1 303.450 3.649 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@@H]2CCc3c(Cl)ccc(OC)c3C2)C1 ZINC001171327122 1032380278 /nfs/dbraw/zinc/38/02/78/1032380278.db2.gz VDSKYQVCBHXUBZ-UONOGXRCSA-N 1 1 303.833 3.551 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2nnc(-c3ccco3)o2)CCCC1(C)C ZINC000277762002 1017082122 /nfs/dbraw/zinc/08/21/22/1017082122.db2.gz MHOAOQRPYAYJCV-CQSZACIVSA-N 1 1 301.390 3.896 20 30 DHEDMO C=CCC[N@H+](C)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000342719431 1017083295 /nfs/dbraw/zinc/08/32/95/1017083295.db2.gz JRPIHLPERZRJQM-UHFFFAOYSA-N 1 1 324.384 3.708 20 30 DHEDMO C=CC[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccc(OC)cc1 ZINC000092217561 1032482883 /nfs/dbraw/zinc/48/28/83/1032482883.db2.gz URUOOXKSOIAEPA-UHFFFAOYSA-N 1 1 313.445 3.835 20 30 DHEDMO C=CC[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccc(OC)cc1 ZINC000092217561 1032482887 /nfs/dbraw/zinc/48/28/87/1032482887.db2.gz URUOOXKSOIAEPA-UHFFFAOYSA-N 1 1 313.445 3.835 20 30 DHEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282755621 1032483345 /nfs/dbraw/zinc/48/33/45/1032483345.db2.gz MWLZPAZYESQKCL-SFHVURJKSA-N 1 1 314.473 3.760 20 30 DHEDMO COc1ccc(N2CCC[N@@H+](CC(C)(C)CCC#N)CC2)cc1 ZINC000092380875 1032490319 /nfs/dbraw/zinc/49/03/19/1032490319.db2.gz HHYCFAPLGAIORX-UHFFFAOYSA-N 1 1 315.461 3.537 20 30 DHEDMO COc1ccc(C[N@@H+](C)CC2CCCC2)cc1OCCCC#N ZINC000092667414 1032505109 /nfs/dbraw/zinc/50/51/09/1032505109.db2.gz XPYOIXIPALJOJO-UHFFFAOYSA-N 1 1 316.445 4.000 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccc(OC)c(OC)c1 ZINC000093101025 1032522419 /nfs/dbraw/zinc/52/24/19/1032522419.db2.gz GTWWLPUAWXXYPG-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(OC)c(OC)c1 ZINC000093101025 1032522427 /nfs/dbraw/zinc/52/24/27/1032522427.db2.gz GTWWLPUAWXXYPG-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cnn(-c2ccccc2)c1 ZINC000773030159 1032533664 /nfs/dbraw/zinc/53/36/64/1032533664.db2.gz LXWKWQLCABPNBX-CQSZACIVSA-N 1 1 320.371 3.734 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)cc1OCCCC#N ZINC000093480969 1032541055 /nfs/dbraw/zinc/54/10/55/1032541055.db2.gz PFNUKLQSJRXHOW-CVEARBPZSA-N 1 1 316.445 3.856 20 30 DHEDMO CC(C)c1nccnc1N=NC1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000773085626 1032553627 /nfs/dbraw/zinc/55/36/27/1032553627.db2.gz KAVHFTMSSBNIPH-HNNXBMFYSA-N 1 1 323.444 3.662 20 30 DHEDMO C=CCOc1ccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000061003147 1032568338 /nfs/dbraw/zinc/56/83/38/1032568338.db2.gz ANQRJJXDRZDGIT-UHFFFAOYSA-N 1 1 302.462 3.650 20 30 DHEDMO C=CCn1cc(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)nn1 ZINC000424297443 1011961986 /nfs/dbraw/zinc/96/19/86/1011961986.db2.gz QRVJVZBYFNRDCM-AWEZNQCLSA-N 1 1 323.227 3.548 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000475280239 1017107286 /nfs/dbraw/zinc/10/72/86/1017107286.db2.gz AYHWXYPKOFWKAE-UHFFFAOYSA-N 1 1 316.408 3.784 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCCN(Cc3ccccc3)CC2)CC1 ZINC000929196598 1032595280 /nfs/dbraw/zinc/59/52/80/1032595280.db2.gz LGJHPZFCEVSVFV-UHFFFAOYSA-N 1 1 311.473 3.524 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424755789 1012127024 /nfs/dbraw/zinc/12/70/24/1012127024.db2.gz AERPOWINLFETTJ-WMZOPIPTSA-N 1 1 314.473 3.616 20 30 DHEDMO C=CC[N@H+](CCCO[C@H]1CCCCO1)Cc1ccccc1F ZINC000513880441 1012212112 /nfs/dbraw/zinc/21/21/12/1012212112.db2.gz XPTZSAZQGCFFPY-SFHVURJKSA-N 1 1 307.409 3.747 20 30 DHEDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000514181646 1012284438 /nfs/dbraw/zinc/28/44/38/1012284438.db2.gz CDZCPJIESGBGKP-FQEVSTJZSA-N 1 1 320.436 3.953 20 30 DHEDMO N#Cc1cc(Cl)ccc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000187067188 1012304352 /nfs/dbraw/zinc/30/43/52/1012304352.db2.gz DVGWPOYINHMGNC-UHFFFAOYSA-N 1 1 317.864 3.662 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000323417138 1032627490 /nfs/dbraw/zinc/62/74/90/1032627490.db2.gz NPYHMSDFTCHZEU-MRXNPFEDSA-N 1 1 308.425 3.938 20 30 DHEDMO CC(=O)Nc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425364439 1012490174 /nfs/dbraw/zinc/49/01/74/1012490174.db2.gz GNVNSDUZUWDKLJ-AWEZNQCLSA-N 1 1 307.397 3.710 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)s1 ZINC000126955401 1012496861 /nfs/dbraw/zinc/49/68/61/1012496861.db2.gz JPPRGAXJHYSXFC-AWEZNQCLSA-N 1 1 300.402 3.823 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1Cl ZINC000537687495 1032641961 /nfs/dbraw/zinc/64/19/61/1032641961.db2.gz IUPQAGNEEOCQLW-NVXWUHKLSA-N 1 1 321.848 3.906 20 30 DHEDMO C=CCCCC[N@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000515595158 1012671756 /nfs/dbraw/zinc/67/17/56/1012671756.db2.gz DKLNDYNZXXPTLN-INIZCTEOSA-N 1 1 319.449 3.847 20 30 DHEDMO N#Cc1cccc(CCC[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)c1 ZINC001208844374 1012688502 /nfs/dbraw/zinc/68/85/02/1012688502.db2.gz HOWJAROZVGYOGQ-HNNXBMFYSA-N 1 1 314.326 3.715 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000425523741 1012722917 /nfs/dbraw/zinc/72/29/17/1012722917.db2.gz ZTDRNJZJADXKBP-QGZVFWFLSA-N 1 1 314.473 3.712 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000425531716 1012732014 /nfs/dbraw/zinc/73/20/14/1012732014.db2.gz MPQIJRFXCZOGBG-SJLPKXTDSA-N 1 1 314.473 3.616 20 30 DHEDMO Cc1c(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000425540448 1012739219 /nfs/dbraw/zinc/73/92/19/1012739219.db2.gz VIKPVPZZJBMFEU-CQSZACIVSA-N 1 1 309.369 3.968 20 30 DHEDMO Cc1cc(C)cc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425535229 1012739478 /nfs/dbraw/zinc/73/94/78/1012739478.db2.gz NBSXEZTWOCGEHN-MRXNPFEDSA-N 1 1 321.424 3.807 20 30 DHEDMO Cc1cc(C)cc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425535229 1012739492 /nfs/dbraw/zinc/73/94/92/1012739492.db2.gz NBSXEZTWOCGEHN-MRXNPFEDSA-N 1 1 321.424 3.807 20 30 DHEDMO C=CCCC(C)(C)NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000664624343 1012825978 /nfs/dbraw/zinc/82/59/78/1012825978.db2.gz FNTONLPSBBRTSX-HOTGVXAUSA-N 1 1 321.509 3.683 20 30 DHEDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000425931520 1012966294 /nfs/dbraw/zinc/96/62/94/1012966294.db2.gz RBPBVBVRZPMNMG-FQEVSTJZSA-N 1 1 306.409 3.572 20 30 DHEDMO COC(=O)CCCCCCCCC[N@H+]1CCC[C@H](CC#N)C1 ZINC001209099446 1012993986 /nfs/dbraw/zinc/99/39/86/1012993986.db2.gz ZZFVKIDUVGDSPI-QGZVFWFLSA-N 1 1 308.466 3.906 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000857770537 1032675648 /nfs/dbraw/zinc/67/56/48/1032675648.db2.gz ALWVHEXDCRXODW-GOSISDBHSA-N 1 1 324.468 3.673 20 30 DHEDMO C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CCC#N ZINC000517557151 1013007490 /nfs/dbraw/zinc/00/74/90/1013007490.db2.gz YWAWQXZAFRLLEB-TVQRCGJNSA-N 1 1 311.248 3.735 20 30 DHEDMO C=CCCC1(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001161640201 1013017983 /nfs/dbraw/zinc/01/79/83/1013017983.db2.gz ABMBDWZFQKHPOS-KRWDZBQOSA-N 1 1 306.494 3.894 20 30 DHEDMO C=CCC[N@H+](C)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000342731582 1017119515 /nfs/dbraw/zinc/11/95/15/1017119515.db2.gz LAJPCZAGPUYTTL-SFHVURJKSA-N 1 1 306.258 3.609 20 30 DHEDMO N#CCC1CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000611687843 1017126670 /nfs/dbraw/zinc/12/66/70/1017126670.db2.gz NYLBDYIYLYRENU-UHFFFAOYSA-N 1 1 316.792 3.516 20 30 DHEDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000342752813 1017172567 /nfs/dbraw/zinc/17/25/67/1017172567.db2.gz QAXQGXJBQWJEIM-HXUWFJFHSA-N 1 1 308.425 3.526 20 30 DHEDMO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cn(-c2ccncc2)nc1C ZINC000657529888 1017197003 /nfs/dbraw/zinc/19/70/03/1017197003.db2.gz KKMORPJDOQLGEE-QFBILLFUSA-N 1 1 310.445 3.800 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+](CCCC)[C@H](C)c2ccc(C)o2)C1=O ZINC000685000658 1017222069 /nfs/dbraw/zinc/22/20/69/1017222069.db2.gz XIDYFTCZXCERFA-HZPDHXFCSA-N 1 1 304.434 3.538 20 30 DHEDMO COc1cccc(F)c1[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000179901018 1017322750 /nfs/dbraw/zinc/32/27/50/1017322750.db2.gz WWZWEFPNNVLPAI-CYBMUJFWSA-N 1 1 301.336 3.676 20 30 DHEDMO C=CCN(CC=C)[C@@H](C[NH2+][C@@H](C)c1nc(C)cs1)C(C)C ZINC000623861186 1017538188 /nfs/dbraw/zinc/53/81/88/1017538188.db2.gz RKCDPXJORQQVSK-HOTGVXAUSA-N 1 1 307.507 3.801 20 30 DHEDMO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC000186698588 1017557404 /nfs/dbraw/zinc/55/74/04/1017557404.db2.gz BRTKZSSMGBVOGI-CQSZACIVSA-N 1 1 319.408 3.636 20 30 DHEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268613425 1017565080 /nfs/dbraw/zinc/56/50/80/1017565080.db2.gz LNVCJDSXRGFTDI-FZKQIMNGSA-N 1 1 314.816 3.938 20 30 DHEDMO C[C@H]1COCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444593483 1017580366 /nfs/dbraw/zinc/58/03/66/1017580366.db2.gz RUAUGDVMMMNRLH-SFHVURJKSA-N 1 1 320.436 3.607 20 30 DHEDMO C[C@H]1COCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444593483 1017580376 /nfs/dbraw/zinc/58/03/76/1017580376.db2.gz RUAUGDVMMMNRLH-SFHVURJKSA-N 1 1 320.436 3.607 20 30 DHEDMO CCc1ccccc1CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000444650027 1017604844 /nfs/dbraw/zinc/60/48/44/1017604844.db2.gz BQWVHFTZQWWEEL-NRFANRHFSA-N 1 1 320.436 3.737 20 30 DHEDMO CCc1ccccc1CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000444650027 1017604851 /nfs/dbraw/zinc/60/48/51/1017604851.db2.gz BQWVHFTZQWWEEL-NRFANRHFSA-N 1 1 320.436 3.737 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H]2C(C)C)cc1OCCCC#N ZINC000342864081 1017618406 /nfs/dbraw/zinc/61/84/06/1017618406.db2.gz ZWZCTCRQNIUSSK-INIZCTEOSA-N 1 1 302.418 3.608 20 30 DHEDMO Cc1cc(C)cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2C#N)c1 ZINC000444715062 1017630180 /nfs/dbraw/zinc/63/01/80/1017630180.db2.gz LPJUIBBTJWQKIR-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO C[N@@H+](CCOc1cccc(C#N)c1)CC1(c2ccccc2)CC1 ZINC000444687326 1017631528 /nfs/dbraw/zinc/63/15/28/1017631528.db2.gz UQBLESUVPCUXLA-UHFFFAOYSA-N 1 1 306.409 3.601 20 30 DHEDMO C=CC[C@H]1[N@H+](CCS(=O)(=O)c2ccccc2)CCCC1(C)C ZINC000444776866 1017675715 /nfs/dbraw/zinc/67/57/15/1017675715.db2.gz CZOAOUIJUMOHRN-QGZVFWFLSA-N 1 1 321.486 3.527 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnc2c(c1)c(C)nn2C ZINC000195196206 1017679886 /nfs/dbraw/zinc/67/98/86/1017679886.db2.gz NNIBDVYPUYTOLE-UHFFFAOYSA-N 1 1 320.440 3.507 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2nnc(C3CCC3)n2C)CCCC1(C)C ZINC000444784456 1017680904 /nfs/dbraw/zinc/68/09/04/1017680904.db2.gz VRGOXXRNXYYBMT-OAHLLOKOSA-N 1 1 302.466 3.649 20 30 DHEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2ccccc2OC)CCCC1(C)C ZINC000444792947 1017682071 /nfs/dbraw/zinc/68/20/71/1017682071.db2.gz QURRDVRWPJQDMU-KRWDZBQOSA-N 1 1 316.445 3.700 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cc(C)no2)cc1 ZINC000125699178 1032718479 /nfs/dbraw/zinc/71/84/79/1032718479.db2.gz ZNWYPYHFZMPMON-ZDUSSCGKSA-N 1 1 306.793 3.965 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000523551827 1017728913 /nfs/dbraw/zinc/72/89/13/1017728913.db2.gz GBAGLJJMZQPPQH-HNNXBMFYSA-N 1 1 306.425 3.681 20 30 DHEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000445358334 1017833164 /nfs/dbraw/zinc/83/31/64/1017833164.db2.gz KOKVUOFFSJLORV-OAHLLOKOSA-N 1 1 312.388 3.639 20 30 DHEDMO Cc1c[nH+]c(NCCOc2ccc(C#N)cc2)c2ccccc12 ZINC001171483002 1032725722 /nfs/dbraw/zinc/72/57/22/1032725722.db2.gz ZRPBUYSYJKAZFU-UHFFFAOYSA-N 1 1 303.365 3.906 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000339009338 1032731379 /nfs/dbraw/zinc/73/13/79/1032731379.db2.gz HOQOXSHCYHBEGJ-QHAWAJNXSA-N 1 1 323.484 3.667 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(C2)CCCN(Cc2ccccc2)C3)C1 ZINC000339009338 1032731397 /nfs/dbraw/zinc/73/13/97/1032731397.db2.gz HOQOXSHCYHBEGJ-QHAWAJNXSA-N 1 1 323.484 3.667 20 30 DHEDMO Cc1nc(C(C)(C)[NH2+]Cc2ccc(F)c(C#N)c2)sc1C ZINC000121599728 1017954593 /nfs/dbraw/zinc/95/45/93/1017954593.db2.gz ODDPROJFJSHJOT-UHFFFAOYSA-N 1 1 303.406 3.796 20 30 DHEDMO CC1(C)CCCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000446068029 1018044462 /nfs/dbraw/zinc/04/44/62/1018044462.db2.gz BVYWECGVVQWOOJ-UHFFFAOYSA-N 1 1 310.401 3.620 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(CC#N)cc1 ZINC000185157255 1018109784 /nfs/dbraw/zinc/10/97/84/1018109784.db2.gz XWACWTBJZVPSJV-JXFKEZNVSA-N 1 1 305.425 3.685 20 30 DHEDMO FC(F)(F)CC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000524892489 1018119675 /nfs/dbraw/zinc/11/96/75/1018119675.db2.gz GZBZWVSCMHIFLF-UHFFFAOYSA-N 1 1 303.168 3.756 20 30 DHEDMO FC(F)(F)CC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000524892489 1018119670 /nfs/dbraw/zinc/11/96/70/1018119670.db2.gz GZBZWVSCMHIFLF-UHFFFAOYSA-N 1 1 303.168 3.756 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171476480 1032747452 /nfs/dbraw/zinc/74/74/52/1032747452.db2.gz MGDDDAIJVDYICC-GOSISDBHSA-N 1 1 324.374 3.752 20 30 DHEDMO CCC(CC)C[N@H+](CC)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000764190952 1018191825 /nfs/dbraw/zinc/19/18/25/1018191825.db2.gz BTFDYJQNUNAJRK-QGZVFWFLSA-N 1 1 302.418 3.530 20 30 DHEDMO CCC(CC)C[N@@H+](CC)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000764190952 1018191827 /nfs/dbraw/zinc/19/18/27/1018191827.db2.gz BTFDYJQNUNAJRK-QGZVFWFLSA-N 1 1 302.418 3.530 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1ccc(C)s1 ZINC000114733587 1018191995 /nfs/dbraw/zinc/19/19/95/1018191995.db2.gz LCFHCXMLGPFRGC-HNNXBMFYSA-N 1 1 306.475 3.618 20 30 DHEDMO C#CC[N@@H+](CCCc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000741781217 1018233074 /nfs/dbraw/zinc/23/30/74/1018233074.db2.gz MEDWFMCVRWDGMQ-UHFFFAOYSA-N 1 1 323.440 3.937 20 30 DHEDMO C=CCC[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000525328579 1018249309 /nfs/dbraw/zinc/24/93/09/1018249309.db2.gz HPAQHILBYSBEKH-UHFFFAOYSA-N 1 1 312.379 3.789 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cnc(C(F)(F)F)s1 ZINC000446813772 1018253878 /nfs/dbraw/zinc/25/38/78/1018253878.db2.gz HRYXKSQAQBYBNM-UHFFFAOYSA-N 1 1 316.348 3.986 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc(C(F)(F)F)s1 ZINC000446813772 1018253890 /nfs/dbraw/zinc/25/38/90/1018253890.db2.gz HRYXKSQAQBYBNM-UHFFFAOYSA-N 1 1 316.348 3.986 20 30 DHEDMO C[C@H]1SCC[N@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)[C@@H]1C ZINC000121688726 1018254083 /nfs/dbraw/zinc/25/40/83/1018254083.db2.gz BDPCZSDSIFIILL-CHWSQXEVSA-N 1 1 313.426 3.539 20 30 DHEDMO C[C@H]1SCC[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)[C@@H]1C ZINC000121688726 1018254104 /nfs/dbraw/zinc/25/41/04/1018254104.db2.gz BDPCZSDSIFIILL-CHWSQXEVSA-N 1 1 313.426 3.539 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000381722338 1018273174 /nfs/dbraw/zinc/27/31/74/1018273174.db2.gz CSZWVFSLIINNBB-LJQANCHMSA-N 1 1 313.489 3.913 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@H]2C2CC2)c1O ZINC000728560127 1018284036 /nfs/dbraw/zinc/28/40/36/1018284036.db2.gz MWQKDLLDLCBWPO-SFHVURJKSA-N 1 1 301.430 3.894 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000052247436 1018319902 /nfs/dbraw/zinc/31/99/02/1018319902.db2.gz AGQPNYHDQOHQGM-AWEZNQCLSA-N 1 1 316.405 3.533 20 30 DHEDMO C#CC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C1CC1 ZINC000764677783 1018341417 /nfs/dbraw/zinc/34/14/17/1018341417.db2.gz SXRMOVKOAUUTTQ-UHFFFAOYSA-N 1 1 307.393 3.569 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000246030112 1018392950 /nfs/dbraw/zinc/39/29/50/1018392950.db2.gz VXCMEANFAWGFQY-QFBILLFUSA-N 1 1 320.440 3.723 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCCCC2=NOCC(F)(F)F)C1 ZINC000764847193 1018394602 /nfs/dbraw/zinc/39/46/02/1018394602.db2.gz UAEVHZOGQRXQON-MBNYWOFBSA-N 1 1 306.372 3.842 20 30 DHEDMO C=C(Cl)C[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000156056162 1018395009 /nfs/dbraw/zinc/39/50/09/1018395009.db2.gz CHYBSURWYJOFFI-ZDUSSCGKSA-N 1 1 321.783 3.808 20 30 DHEDMO C=C(Cl)C[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000156056162 1018395025 /nfs/dbraw/zinc/39/50/25/1018395025.db2.gz CHYBSURWYJOFFI-ZDUSSCGKSA-N 1 1 321.783 3.808 20 30 DHEDMO Cc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1Br ZINC000526083123 1018454020 /nfs/dbraw/zinc/45/40/20/1018454020.db2.gz WJOIKTHRXVYWRS-NSHDSACASA-N 1 1 307.235 3.882 20 30 DHEDMO Cc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1Br ZINC000526083123 1018454024 /nfs/dbraw/zinc/45/40/24/1018454024.db2.gz WJOIKTHRXVYWRS-NSHDSACASA-N 1 1 307.235 3.882 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)NC(CC)CC)c1ccc(F)c(F)c1 ZINC000187781827 1018460120 /nfs/dbraw/zinc/46/01/20/1018460120.db2.gz QOZNAOVDIYIWJC-SJCJKPOMSA-N 1 1 324.415 3.865 20 30 DHEDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000447835026 1018485315 /nfs/dbraw/zinc/48/53/15/1018485315.db2.gz MGPFSUJXTCCDCW-NVXWUHKLSA-N 1 1 300.446 3.613 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246573582 1018485681 /nfs/dbraw/zinc/48/56/81/1018485681.db2.gz FBSOAZBECXRGGZ-KUHUBIRLSA-N 1 1 310.372 3.659 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000246573582 1018485688 /nfs/dbraw/zinc/48/56/88/1018485688.db2.gz FBSOAZBECXRGGZ-KUHUBIRLSA-N 1 1 310.372 3.659 20 30 DHEDMO Cc1ccccc1C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000022850867 1018512722 /nfs/dbraw/zinc/51/27/22/1018512722.db2.gz ANEPOVKNBRPQKM-UHFFFAOYSA-N 1 1 319.452 3.575 20 30 DHEDMO CC#CCC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000156784249 1018525385 /nfs/dbraw/zinc/52/53/85/1018525385.db2.gz BBGCWAYDFTVECK-LLVKDONJSA-N 1 1 302.365 3.755 20 30 DHEDMO C=CCCCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000448151787 1018545830 /nfs/dbraw/zinc/54/58/30/1018545830.db2.gz RNDRIEIFAKTWHF-AWEZNQCLSA-N 1 1 312.417 3.507 20 30 DHEDMO COc1cc(C[N@@H+](C)CCC(C)(C)C#N)ccc1OC(F)F ZINC000583555979 1018555136 /nfs/dbraw/zinc/55/51/36/1018555136.db2.gz AOTMVSHAYIXCFV-UHFFFAOYSA-N 1 1 312.360 3.668 20 30 DHEDMO CCCCCCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000858111227 1032772171 /nfs/dbraw/zinc/77/21/71/1032772171.db2.gz XVYPXQIIBSXEPS-WMZOPIPTSA-N 1 1 321.509 3.615 20 30 DHEDMO N#CC1(C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)CC1 ZINC000343302428 1018571882 /nfs/dbraw/zinc/57/18/82/1018571882.db2.gz JPEBVOQJTHVSJC-UHFFFAOYSA-N 1 1 309.388 3.569 20 30 DHEDMO N#CC1(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)CC1 ZINC000343302428 1018571894 /nfs/dbraw/zinc/57/18/94/1018571894.db2.gz JPEBVOQJTHVSJC-UHFFFAOYSA-N 1 1 309.388 3.569 20 30 DHEDMO C=C[C@@H](CC(=O)N(CC)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000583583476 1018577636 /nfs/dbraw/zinc/57/76/36/1018577636.db2.gz LQRNXSDOCOJTJN-HKUYNNGSSA-N 1 1 314.473 3.679 20 30 DHEDMO CCC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000246614806 1018657256 /nfs/dbraw/zinc/65/72/56/1018657256.db2.gz RMLTWOUIKYFJPC-UKRRQHHQSA-N 1 1 317.433 3.607 20 30 DHEDMO CCC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000246614806 1018657259 /nfs/dbraw/zinc/65/72/59/1018657259.db2.gz RMLTWOUIKYFJPC-UKRRQHHQSA-N 1 1 317.433 3.607 20 30 DHEDMO C[C@H](NCC1(C#N)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000405067519 1018726829 /nfs/dbraw/zinc/72/68/29/1018726829.db2.gz BPTRPBDNEWESJB-PKOBYXMFSA-N 1 1 311.473 3.571 20 30 DHEDMO Fc1ccc(C#CC[N@@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000676605926 1018782504 /nfs/dbraw/zinc/78/25/04/1018782504.db2.gz SOLYNYHLZUURNO-IBGZPJMESA-N 1 1 311.425 3.967 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000676605926 1018782514 /nfs/dbraw/zinc/78/25/14/1018782514.db2.gz SOLYNYHLZUURNO-IBGZPJMESA-N 1 1 311.425 3.967 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000248266344 1018877429 /nfs/dbraw/zinc/87/74/29/1018877429.db2.gz XWTLTXNWKHKMJT-MRXNPFEDSA-N 1 1 314.473 3.641 20 30 DHEDMO C[N@@H+](CCCNc1cc(C#N)c2ccccc2n1)C1CCCCC1 ZINC000391559598 1018920048 /nfs/dbraw/zinc/92/00/48/1018920048.db2.gz FSNPQXBNELQDCC-UHFFFAOYSA-N 1 1 322.456 4.173 20 30 DHEDMO C[C@H](c1cccs1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000022013472 1018964380 /nfs/dbraw/zinc/96/43/80/1018964380.db2.gz HEOZJRFIQWSFLS-LLVKDONJSA-N 1 1 319.455 3.703 20 30 DHEDMO CC(C)(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000307772497 1018978770 /nfs/dbraw/zinc/97/87/70/1018978770.db2.gz IOGDEVZIZDCWHC-OAHLLOKOSA-N 1 1 313.445 3.645 20 30 DHEDMO C[C@H](Nc1ncc2c(c1C#N)CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000584228101 1019033401 /nfs/dbraw/zinc/03/34/01/1019033401.db2.gz LTWWSTLJCLZSGL-HOCLYGCPSA-N 1 1 324.472 3.507 20 30 DHEDMO C=CCCC[N@H+](C)Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000076736491 1019168822 /nfs/dbraw/zinc/16/88/22/1019168822.db2.gz ZNQVYEVZPBTNKZ-UHFFFAOYSA-N 1 1 301.390 3.533 20 30 DHEDMO CC(C)[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1F ZINC000521196633 1019201482 /nfs/dbraw/zinc/20/14/82/1019201482.db2.gz QYKLTXPHWJGPDF-UHFFFAOYSA-N 1 1 312.388 3.987 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2nc(N)c3ccccc3n2)CCCC1(C)C ZINC000444780938 1019269655 /nfs/dbraw/zinc/26/96/55/1019269655.db2.gz NTINFVRDHYFHDU-MRXNPFEDSA-N 1 1 310.445 3.779 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1c2c(nn1C)CCC2)c1ccc(F)c(F)c1 ZINC000922013047 1019301333 /nfs/dbraw/zinc/30/13/33/1019301333.db2.gz XGDVEYURQPNLDE-SFHVURJKSA-N 1 1 317.383 3.594 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1cccnc1 ZINC000311631129 1019317724 /nfs/dbraw/zinc/31/77/24/1019317724.db2.gz OUJPVJVXMGBQJM-LLVKDONJSA-N 1 1 316.202 3.567 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000611235688 1019416927 /nfs/dbraw/zinc/41/69/27/1019416927.db2.gz CLXWCAWTDVFOHI-LJQANCHMSA-N 1 1 324.449 3.857 20 30 DHEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000611323075 1019443828 /nfs/dbraw/zinc/44/38/28/1019443828.db2.gz JLLMGMIDTRRSEE-RHSMWYFYSA-N 1 1 314.429 3.530 20 30 DHEDMO CC[C@H]1CCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000611346331 1019453260 /nfs/dbraw/zinc/45/32/60/1019453260.db2.gz YTZYGIFXPOAYMO-INIZCTEOSA-N 1 1 308.429 3.674 20 30 DHEDMO CC[C@H]1CCC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000611346331 1019453279 /nfs/dbraw/zinc/45/32/79/1019453279.db2.gz YTZYGIFXPOAYMO-INIZCTEOSA-N 1 1 308.429 3.674 20 30 DHEDMO CC(C)c1nnc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)[nH]1 ZINC000611395147 1019468515 /nfs/dbraw/zinc/46/85/15/1019468515.db2.gz NJNOPDBKFJCTLO-LRDDRELGSA-N 1 1 309.417 3.528 20 30 DHEDMO C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390341 1019473457 /nfs/dbraw/zinc/47/34/57/1019473457.db2.gz UCOCKBLTLKZDTG-OXQOHEQNSA-N 1 1 311.473 3.790 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390341 1019473460 /nfs/dbraw/zinc/47/34/60/1019473460.db2.gz UCOCKBLTLKZDTG-OXQOHEQNSA-N 1 1 311.473 3.790 20 30 DHEDMO C[NH+](C)C1(CN[C@@H]2CCCc3cc(C#N)ccc32)CCCCC1 ZINC000611390192 1019474418 /nfs/dbraw/zinc/47/44/18/1019474418.db2.gz ILIMRRDOFIVTTE-LJQANCHMSA-N 1 1 311.473 3.790 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000611554311 1019514249 /nfs/dbraw/zinc/51/42/49/1019514249.db2.gz KURSWNZBOIJDCT-RISCZKNCSA-N 1 1 312.335 3.730 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000611554311 1019514260 /nfs/dbraw/zinc/51/42/60/1019514260.db2.gz KURSWNZBOIJDCT-RISCZKNCSA-N 1 1 312.335 3.730 20 30 DHEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000611555332 1019516412 /nfs/dbraw/zinc/51/64/12/1019516412.db2.gz XNHNLWREPGGFSD-ZWNOBZJWSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc(C#N)ccc1F ZINC000611555332 1019516422 /nfs/dbraw/zinc/51/64/22/1019516422.db2.gz XNHNLWREPGGFSD-ZWNOBZJWSA-N 1 1 300.299 3.860 20 30 DHEDMO C=C(C)C[N@@H+](CCOC1CCCCCC1)Cc1ccc(CO)o1 ZINC000512168494 1019562857 /nfs/dbraw/zinc/56/28/57/1019562857.db2.gz KPOKZYJBXHWREN-UHFFFAOYSA-N 1 1 321.461 3.889 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1F ZINC000370683730 1019712696 /nfs/dbraw/zinc/71/26/96/1019712696.db2.gz LBVUHHVMZQGTPB-FQEVSTJZSA-N 1 1 317.367 3.972 20 30 DHEDMO C=CCN(Cc1cccc(C#N)c1)Cc1[nH+]cc(C)c(OC)c1C ZINC000067227355 1019716617 /nfs/dbraw/zinc/71/66/17/1019716617.db2.gz RLLAROIHOOOJRG-UHFFFAOYSA-N 1 1 321.424 3.767 20 30 DHEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000347578539 1019720943 /nfs/dbraw/zinc/72/09/43/1019720943.db2.gz ILMOXYJGMOHRMC-OLZOCXBDSA-N 1 1 319.836 3.518 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1nccc2ccccc21 ZINC000685442358 1019823717 /nfs/dbraw/zinc/82/37/17/1019823717.db2.gz POWSZJNBZODDFE-UHFFFAOYSA-N 1 1 322.408 3.898 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1nccc2ccccc21 ZINC000685442358 1019823742 /nfs/dbraw/zinc/82/37/42/1019823742.db2.gz POWSZJNBZODDFE-UHFFFAOYSA-N 1 1 322.408 3.898 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000785441121 1019854329 /nfs/dbraw/zinc/85/43/29/1019854329.db2.gz ZDXXEUDQEKTPFW-OAHLLOKOSA-N 1 1 304.434 3.588 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)s1 ZINC000363954101 1020051477 /nfs/dbraw/zinc/05/14/77/1020051477.db2.gz VMVUHRBFKZJWCK-GOSISDBHSA-N 1 1 310.422 3.641 20 30 DHEDMO N#CCOc1ccc(C[N@@H+](CCc2ccccc2)C2CC2)cc1 ZINC000731212061 1020079341 /nfs/dbraw/zinc/07/93/41/1020079341.db2.gz QCVQTOMUHWUCKD-UHFFFAOYSA-N 1 1 306.409 3.796 20 30 DHEDMO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000731212278 1020080897 /nfs/dbraw/zinc/08/08/97/1020080897.db2.gz CQIZFIGQCHISAG-JXFKEZNVSA-N 1 1 322.408 3.551 20 30 DHEDMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000731212278 1020080905 /nfs/dbraw/zinc/08/09/05/1020080905.db2.gz CQIZFIGQCHISAG-JXFKEZNVSA-N 1 1 322.408 3.551 20 30 DHEDMO COCCC[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000092537335 1020097836 /nfs/dbraw/zinc/09/78/36/1020097836.db2.gz XRVNEQYOBSDKGY-UHFFFAOYSA-N 1 1 324.424 3.606 20 30 DHEDMO COc1cc(C[N@H+](C)Cc2ccc(C#N)o2)ccc1SC ZINC000092674324 1020104197 /nfs/dbraw/zinc/10/41/97/1020104197.db2.gz NXRBKDNBAYOHCD-UHFFFAOYSA-N 1 1 302.399 3.514 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)o2)ccc1SC ZINC000092674324 1020104206 /nfs/dbraw/zinc/10/42/06/1020104206.db2.gz NXRBKDNBAYOHCD-UHFFFAOYSA-N 1 1 302.399 3.514 20 30 DHEDMO Oc1ccccc1/C=N\C[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000731489014 1020110684 /nfs/dbraw/zinc/11/06/84/1020110684.db2.gz ZBRYENJZVZFNDN-YNGKYYQNSA-N 1 1 300.446 3.856 20 30 DHEDMO CC(C)[N@@H+](Cc1cc(C#N)cs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000154466518 1020112500 /nfs/dbraw/zinc/11/25/00/1020112500.db2.gz YNDRMZROCONOMI-UHFFFAOYSA-N 1 1 315.398 3.939 20 30 DHEDMO C=CCC[C@@H](O)CN1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347723048 1020120430 /nfs/dbraw/zinc/12/04/30/1020120430.db2.gz FCLMLRTWJXUCCT-CZUORRHYSA-N 1 1 319.836 3.680 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347723048 1020120442 /nfs/dbraw/zinc/12/04/42/1020120442.db2.gz FCLMLRTWJXUCCT-CZUORRHYSA-N 1 1 319.836 3.680 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000154939586 1020166734 /nfs/dbraw/zinc/16/67/34/1020166734.db2.gz UEIDNCOICIZPFT-SFHVURJKSA-N 1 1 309.388 3.774 20 30 DHEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093689503 1020167946 /nfs/dbraw/zinc/16/79/46/1020167946.db2.gz KMBMUZSGRJOWED-KXBFYZLASA-N 1 1 316.408 3.584 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)cc1 ZINC000155253837 1020206928 /nfs/dbraw/zinc/20/69/28/1020206928.db2.gz XEGLHGUCWWJJPA-MRXNPFEDSA-N 1 1 310.372 3.695 20 30 DHEDMO CC(C)C[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000330996283 1020250836 /nfs/dbraw/zinc/25/08/36/1020250836.db2.gz ZUDYWJONJFBBLW-MRXNPFEDSA-N 1 1 324.428 3.866 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125759871 1020345161 /nfs/dbraw/zinc/34/51/61/1020345161.db2.gz DXMSWSVWKJWCLL-HNNXBMFYSA-N 1 1 322.408 3.928 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000612174617 1020371601 /nfs/dbraw/zinc/37/16/01/1020371601.db2.gz QGJFYGAZBPLYNQ-LJQANCHMSA-N 1 1 310.372 3.545 20 30 DHEDMO CO[C@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1F)C(F)(F)F ZINC000733329823 1020376981 /nfs/dbraw/zinc/37/69/81/1020376981.db2.gz LVZJRMGZTKPFLL-SNVBAGLBSA-N 1 1 319.220 3.511 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000091960381 1020404667 /nfs/dbraw/zinc/40/46/67/1020404667.db2.gz XOFMRZIUVGSPLH-WMZOPIPTSA-N 1 1 311.429 3.531 20 30 DHEDMO N#Cc1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000161937537 1020429361 /nfs/dbraw/zinc/42/93/61/1020429361.db2.gz MCGIGECOYNGHFI-KDOFPFPSSA-N 1 1 315.848 3.665 20 30 DHEDMO N#Cc1c(F)ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)c1Cl ZINC000364327914 1020430181 /nfs/dbraw/zinc/43/01/81/1020430181.db2.gz BNMITOTVDWKBFT-INIZCTEOSA-N 1 1 322.811 3.742 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001171840229 1032902253 /nfs/dbraw/zinc/90/22/53/1032902253.db2.gz CAWPWHHFQSPNQN-MRXNPFEDSA-N 1 1 322.493 3.922 20 30 DHEDMO Cc1nc(C)c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000347983464 1020476541 /nfs/dbraw/zinc/47/65/41/1020476541.db2.gz BAHUCINJNONCFO-UHFFFAOYSA-N 1 1 309.438 3.921 20 30 DHEDMO C=CCOCCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000348025651 1020480226 /nfs/dbraw/zinc/48/02/26/1020480226.db2.gz COICNKVBNKAGJD-UYAOXDASSA-N 1 1 316.489 3.564 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(C)=O)C1 ZINC001171840964 1032904604 /nfs/dbraw/zinc/90/46/04/1032904604.db2.gz IFDXNRHNORBDGI-ZBFHGGJFSA-N 1 1 314.429 3.504 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C(C)=O)C1 ZINC001171840964 1032904611 /nfs/dbraw/zinc/90/46/11/1032904611.db2.gz IFDXNRHNORBDGI-ZBFHGGJFSA-N 1 1 314.429 3.504 20 30 DHEDMO C[N@@H+](Cc1ccccc1)[C@@H](C/N=C/c1ccccc1O)C1CC1 ZINC000186848761 1020507979 /nfs/dbraw/zinc/50/79/79/1020507979.db2.gz QAUKATNBYPDLPD-IOVUBPJKSA-N 1 1 308.425 3.722 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+]([C@H](C)c2ccc(Cl)cc2)C2CC2)C1=O ZINC000337166259 1032909527 /nfs/dbraw/zinc/90/95/27/1032909527.db2.gz ZHDKJCAOKIWEJW-DYVFJYSZSA-N 1 1 318.848 3.652 20 30 DHEDMO CCCCCCC[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000177261165 1020553407 /nfs/dbraw/zinc/55/34/07/1020553407.db2.gz KMRFQVPSKGVSIX-UHFFFAOYSA-N 1 1 317.521 3.991 20 30 DHEDMO N#Cc1ccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000358922653 1020554710 /nfs/dbraw/zinc/55/47/10/1020554710.db2.gz STTJSFSMZWYCOS-KRWDZBQOSA-N 1 1 309.388 3.774 20 30 DHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C1 ZINC000337172668 1032910884 /nfs/dbraw/zinc/91/08/84/1032910884.db2.gz GRBLJKXVAOFWEY-HZPDHXFCSA-N 1 1 310.507 3.693 20 30 DHEDMO CCCCCCC[C@@H](C)CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000734269353 1020579987 /nfs/dbraw/zinc/57/99/87/1020579987.db2.gz IBNVLDTVKSWUCG-HZPDHXFCSA-N 1 1 309.498 3.519 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCN(C2CCC2)CC1 ZINC000360837035 1020592335 /nfs/dbraw/zinc/59/23/35/1020592335.db2.gz OICUXKOSRLMZKX-OAQYLSRUSA-N 1 1 323.484 3.932 20 30 DHEDMO C=CCCCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2)CC1 ZINC001171904056 1032917275 /nfs/dbraw/zinc/91/72/75/1032917275.db2.gz SPDNZIZECRSZFS-IBGZPJMESA-N 1 1 314.473 3.969 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1ccc(F)cn1 ZINC000734364826 1020595879 /nfs/dbraw/zinc/59/58/79/1020595879.db2.gz HTIYXXLCYZHTPN-AWEZNQCLSA-N 1 1 312.392 3.531 20 30 DHEDMO CC[N@@H+](C[C@@](O)(CC)C(F)(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000929333562 1020600436 /nfs/dbraw/zinc/60/04/36/1020600436.db2.gz PGQLPQOZHUABNP-DOMZBBRYSA-N 1 1 314.351 3.645 20 30 DHEDMO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000448275303 1020653570 /nfs/dbraw/zinc/65/35/70/1020653570.db2.gz IMZSQCFXLCUYFI-ZSYWTGECSA-N 1 1 302.462 3.906 20 30 DHEDMO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000448275303 1020653575 /nfs/dbraw/zinc/65/35/75/1020653575.db2.gz IMZSQCFXLCUYFI-ZSYWTGECSA-N 1 1 302.462 3.906 20 30 DHEDMO CCOC(=O)C1(C)CCC([N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001171957575 1032924588 /nfs/dbraw/zinc/92/45/88/1032924588.db2.gz VCUCTFLIMYXNLK-UHFFFAOYSA-N 1 1 314.429 3.502 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000612868286 1020732027 /nfs/dbraw/zinc/73/20/27/1020732027.db2.gz ZLXILBSDYXORDF-UHFFFAOYSA-N 1 1 314.473 3.617 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000612868286 1020732034 /nfs/dbraw/zinc/73/20/34/1020732034.db2.gz ZLXILBSDYXORDF-UHFFFAOYSA-N 1 1 314.473 3.617 20 30 DHEDMO C=CC[N@@H+](Cn1ncc2c1cccc2Br)C(C)C ZINC000735483819 1020736358 /nfs/dbraw/zinc/73/63/58/1020736358.db2.gz CUHPCHWEVIYAJQ-UHFFFAOYSA-N 1 1 308.223 3.653 20 30 DHEDMO CN(Cc1cnc(-c2ccccc2)[nH]1)Cc1cccc(C#N)c1 ZINC000180048392 1020738260 /nfs/dbraw/zinc/73/82/60/1020738260.db2.gz ZMMLONGFAOUNIG-UHFFFAOYSA-N 1 1 302.381 3.580 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000685849634 1020821897 /nfs/dbraw/zinc/82/18/97/1020821897.db2.gz SKLWQCPOCJZRRG-ZWKOTPCHSA-N 1 1 301.430 3.641 20 30 DHEDMO CC[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@H](C)C#N ZINC000066424554 1020859804 /nfs/dbraw/zinc/85/98/04/1020859804.db2.gz TVLLMPUUWWDOSB-GFCCVEGCSA-N 1 1 300.324 3.609 20 30 DHEDMO CC[N@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@H](C)C#N ZINC000066424554 1020859815 /nfs/dbraw/zinc/85/98/15/1020859815.db2.gz TVLLMPUUWWDOSB-GFCCVEGCSA-N 1 1 300.324 3.609 20 30 DHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000739914775 1020924899 /nfs/dbraw/zinc/92/48/99/1020924899.db2.gz KKIURVCUJHRVGQ-AEFFLSMTSA-N 1 1 314.429 3.530 20 30 DHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000739914775 1020924904 /nfs/dbraw/zinc/92/49/04/1020924904.db2.gz KKIURVCUJHRVGQ-AEFFLSMTSA-N 1 1 314.429 3.530 20 30 DHEDMO CCCC[N@@H+](CCC#N)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171926524 1032942381 /nfs/dbraw/zinc/94/23/81/1032942381.db2.gz GAMURKMKWSKKPK-UHFFFAOYSA-N 1 1 308.466 3.903 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000173980757 1020948588 /nfs/dbraw/zinc/94/85/88/1020948588.db2.gz NVXKAHAVDLBEDH-SFHVURJKSA-N 1 1 324.399 3.736 20 30 DHEDMO CCCCCCC[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000740874569 1020958118 /nfs/dbraw/zinc/95/81/18/1020958118.db2.gz QQDVIFBJLMEVHZ-UHFFFAOYSA-N 1 1 302.462 3.805 20 30 DHEDMO CCCCCCCC[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000740886673 1020959704 /nfs/dbraw/zinc/95/97/04/1020959704.db2.gz BXQGDQAAEGESKR-UHFFFAOYSA-N 1 1 311.491 3.882 20 30 DHEDMO C=C1CCN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC000264511516 1032947491 /nfs/dbraw/zinc/94/74/91/1032947491.db2.gz SMBIYLLXVWDHGS-UHFFFAOYSA-N 1 1 300.446 3.709 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000174877492 1021006641 /nfs/dbraw/zinc/00/66/41/1021006641.db2.gz PSYPHIMILQLACW-GOSISDBHSA-N 1 1 300.446 3.855 20 30 DHEDMO CCCCOC(=O)[C@H](C)[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000741780019 1021050047 /nfs/dbraw/zinc/05/00/47/1021050047.db2.gz GSHQXOGOGJIHOQ-HNNXBMFYSA-N 1 1 302.418 3.500 20 30 DHEDMO CCCCOC(=O)[C@H](C)[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000741780019 1021050054 /nfs/dbraw/zinc/05/00/54/1021050054.db2.gz GSHQXOGOGJIHOQ-HNNXBMFYSA-N 1 1 302.418 3.500 20 30 DHEDMO CC[C@@H](C)C[N@@H+](CC)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180244901 1021050335 /nfs/dbraw/zinc/05/03/35/1021050335.db2.gz QTJWRGBHGGBRHT-OAHLLOKOSA-N 1 1 310.445 3.827 20 30 DHEDMO C=CC[N@H+](C)C1CCN(c2ccc(Br)cc2)CC1 ZINC001171996494 1032950749 /nfs/dbraw/zinc/95/07/49/1032950749.db2.gz JVUVGEPKIMAIBI-UHFFFAOYSA-N 1 1 309.251 3.536 20 30 DHEDMO Cc1cccc(C2(O)CC[NH+](Cc3ccccc3C#N)CC2)c1C ZINC000741803791 1021057689 /nfs/dbraw/zinc/05/76/89/1021057689.db2.gz FGZZJYJSWHTITG-UHFFFAOYSA-N 1 1 320.436 3.659 20 30 DHEDMO C[C@H]1CSCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356398071 1021230860 /nfs/dbraw/zinc/23/08/60/1021230860.db2.gz QVCVSEMVFOPWCT-LLVKDONJSA-N 1 1 314.376 3.762 20 30 DHEDMO C=C(Cl)C[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000925438204 1021250522 /nfs/dbraw/zinc/25/05/22/1021250522.db2.gz WFIXIJLFKANGMS-LLVKDONJSA-N 1 1 301.615 3.564 20 30 DHEDMO C[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C[N@H+]1C1CC1 ZINC000618197823 1021322503 /nfs/dbraw/zinc/32/25/03/1021322503.db2.gz CVHQQRDYDGUCIF-MFKMUULPSA-N 1 1 309.335 3.614 20 30 DHEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000618296953 1021351604 /nfs/dbraw/zinc/35/16/04/1021351604.db2.gz NXURLHDPIYSNSX-OAHLLOKOSA-N 1 1 308.466 3.618 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1cccnc1Cl)CC1CCCCC1 ZINC000069859777 1021392209 /nfs/dbraw/zinc/39/22/09/1021392209.db2.gz PSUUSNGMDNBQOS-UHFFFAOYSA-N 1 1 321.852 3.742 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H](O)c1cc(F)ccc1F ZINC000918025915 1021422445 /nfs/dbraw/zinc/42/24/45/1021422445.db2.gz SIYUJIOOXUTSLY-GOSISDBHSA-N 1 1 321.342 3.826 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)c1cc(F)ccc1F ZINC000918025915 1021422451 /nfs/dbraw/zinc/42/24/51/1021422451.db2.gz SIYUJIOOXUTSLY-GOSISDBHSA-N 1 1 321.342 3.826 20 30 DHEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000189721375 1021430575 /nfs/dbraw/zinc/43/05/75/1021430575.db2.gz KZDZHORKMBNSOW-HXUWFJFHSA-N 1 1 308.425 3.721 20 30 DHEDMO Cc1cc(CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)ccc1C#N ZINC000618594599 1021438656 /nfs/dbraw/zinc/43/86/56/1021438656.db2.gz WEHNWXRAQNMPGM-NRFANRHFSA-N 1 1 319.452 3.573 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@H](N(C)Cc3ccccc3)C2)ccc1C#N ZINC000618594599 1021438662 /nfs/dbraw/zinc/43/86/62/1021438662.db2.gz WEHNWXRAQNMPGM-NRFANRHFSA-N 1 1 319.452 3.573 20 30 DHEDMO Cc1cc(C[N@@H+]2CC[C@H](N(C)Cc3ccccc3)C2)ccc1C#N ZINC000618594599 1021438668 /nfs/dbraw/zinc/43/86/68/1021438668.db2.gz WEHNWXRAQNMPGM-NRFANRHFSA-N 1 1 319.452 3.573 20 30 DHEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC000618658403 1021467741 /nfs/dbraw/zinc/46/77/41/1021467741.db2.gz WUIXQHRBLDCKMD-MRXNPFEDSA-N 1 1 304.478 3.646 20 30 DHEDMO COc1ccc(C[N@@H+](C)CC(C)(C)C)cc1OCCCC#N ZINC000092217701 1021497252 /nfs/dbraw/zinc/49/72/52/1021497252.db2.gz PVWNWKWGYXDJFK-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccnc(Oc2ccccc2F)c1 ZINC000556072557 1021512653 /nfs/dbraw/zinc/51/26/53/1021512653.db2.gz BOQGSJWZLXAXCP-HNNXBMFYSA-N 1 1 324.359 3.546 20 30 DHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCCC23CCCCC3)c1 ZINC000556076125 1021515949 /nfs/dbraw/zinc/51/59/49/1021515949.db2.gz JZFXPUGXOUGWAD-UHFFFAOYSA-N 1 1 311.429 3.686 20 30 DHEDMO CCOc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)[nH+]c1C ZINC000850411231 1021517614 /nfs/dbraw/zinc/51/76/14/1021517614.db2.gz SAFPPRKPJKQXTO-ZDUSSCGKSA-N 1 1 311.385 3.692 20 30 DHEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(C(F)F)nc1 ZINC000850445001 1021539032 /nfs/dbraw/zinc/53/90/32/1021539032.db2.gz MXTZUTBRNHMCQZ-SNVBAGLBSA-N 1 1 305.303 3.881 20 30 DHEDMO N#CC1(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC001172066682 1032988762 /nfs/dbraw/zinc/98/87/62/1032988762.db2.gz JSNQRYJRIWZHKO-LDLYASANSA-N 1 1 309.457 3.608 20 30 DHEDMO C[C@@H]1C[C@H](NCC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379653115 1021677495 /nfs/dbraw/zinc/67/74/95/1021677495.db2.gz YUSGSNXVIMMLSL-DENIHFKCSA-N 1 1 318.464 3.681 20 30 DHEDMO C[C@@H]1C[C@H]([NH2+]CC#Cc2ccccc2)CCN1Cc1ccccc1 ZINC000379653115 1021677502 /nfs/dbraw/zinc/67/75/02/1021677502.db2.gz YUSGSNXVIMMLSL-DENIHFKCSA-N 1 1 318.464 3.681 20 30 DHEDMO C[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C[C@@H]1n1ccnc1 ZINC000930053696 1021702306 /nfs/dbraw/zinc/70/23/06/1021702306.db2.gz BXGMYVNCXCFOJE-SJORKVTESA-N 1 1 300.450 3.630 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000556518065 1021752216 /nfs/dbraw/zinc/75/22/16/1021752216.db2.gz CTUBTUJYQWTION-IAGOWNOFSA-N 1 1 323.358 3.700 20 30 DHEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173190510 1021752681 /nfs/dbraw/zinc/75/26/81/1021752681.db2.gz BCWFBIQWDTYGQV-CZUORRHYSA-N 1 1 310.401 3.619 20 30 DHEDMO CCCCCCC[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000745703368 1021767858 /nfs/dbraw/zinc/76/78/58/1021767858.db2.gz NRUMUVPPOBQARA-BBWFWOEESA-N 1 1 311.514 3.765 20 30 DHEDMO COc1cc(C[N@@H+]2CCOc3ccccc3[C@H]2C)ccc1C#N ZINC000619674387 1021824823 /nfs/dbraw/zinc/82/48/23/1021824823.db2.gz ZOIZIPZKANWBKE-CQSZACIVSA-N 1 1 308.381 3.522 20 30 DHEDMO COc1cc(C[N@H+]2CCOc3ccccc3[C@H]2C)ccc1C#N ZINC000619674387 1021824839 /nfs/dbraw/zinc/82/48/39/1021824839.db2.gz ZOIZIPZKANWBKE-CQSZACIVSA-N 1 1 308.381 3.522 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000194959682 1021825391 /nfs/dbraw/zinc/82/53/91/1021825391.db2.gz WMSGMHGQUAVXML-UHFFFAOYSA-N 1 1 321.380 3.674 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cnn(C2CCCC2)c1 ZINC000619723915 1021850886 /nfs/dbraw/zinc/85/08/86/1021850886.db2.gz UHEJEWQQBNKCGA-ZDUSSCGKSA-N 1 1 312.392 3.860 20 30 DHEDMO N#CCCOCC[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000338939591 1021943819 /nfs/dbraw/zinc/94/38/19/1021943819.db2.gz VFVWZGFVVUQHTE-UHFFFAOYSA-N 1 1 304.409 3.543 20 30 DHEDMO CCCCCCCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000763444310 1021960040 /nfs/dbraw/zinc/96/00/40/1021960040.db2.gz ILGBLCZHJSSSIU-IRXDYDNUSA-N 1 1 309.450 3.764 20 30 DHEDMO CCCCCCCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000763444310 1021960045 /nfs/dbraw/zinc/96/00/45/1021960045.db2.gz ILGBLCZHJSSSIU-IRXDYDNUSA-N 1 1 309.450 3.764 20 30 DHEDMO CC[C@@H]([NH2+]Cc1ccc(OC)cc1F)c1cccc(C#N)c1O ZINC000925514533 1022054832 /nfs/dbraw/zinc/05/48/32/1022054832.db2.gz AABQTNACQBWYNT-QGZVFWFLSA-N 1 1 314.360 3.652 20 30 DHEDMO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000852103727 1022075939 /nfs/dbraw/zinc/07/59/39/1022075939.db2.gz PPCKEUVLLSCSSF-BZNIZROVSA-N 1 1 303.406 3.797 20 30 DHEDMO CCc1cccc(C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852332238 1022106836 /nfs/dbraw/zinc/10/68/36/1022106836.db2.gz PUTDICMEZXEKJJ-FQEVSTJZSA-N 1 1 305.425 3.701 20 30 DHEDMO CCc1cccc(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852332238 1022106842 /nfs/dbraw/zinc/10/68/42/1022106842.db2.gz PUTDICMEZXEKJJ-FQEVSTJZSA-N 1 1 305.425 3.701 20 30 DHEDMO Cc1cccc(CCC[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852330158 1022107052 /nfs/dbraw/zinc/10/70/52/1022107052.db2.gz AXODOFRYDZPJCF-NRFANRHFSA-N 1 1 319.452 3.880 20 30 DHEDMO Cc1cccc(CCC[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852330158 1022107058 /nfs/dbraw/zinc/10/70/58/1022107058.db2.gz AXODOFRYDZPJCF-NRFANRHFSA-N 1 1 319.452 3.880 20 30 DHEDMO Cc1ccc(C)c(C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852328068 1022107353 /nfs/dbraw/zinc/10/73/53/1022107353.db2.gz ZJXZVOBVWVKUHC-HXUWFJFHSA-N 1 1 305.425 3.756 20 30 DHEDMO Cc1ccc(C)c(C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852328068 1022107358 /nfs/dbraw/zinc/10/73/58/1022107358.db2.gz ZJXZVOBVWVKUHC-HXUWFJFHSA-N 1 1 305.425 3.756 20 30 DHEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000852332038 1022107651 /nfs/dbraw/zinc/10/76/51/1022107651.db2.gz FIZCXLHEKIFBQB-IRFCIJBXSA-N 1 1 317.436 3.742 20 30 DHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000852332038 1022107655 /nfs/dbraw/zinc/10/76/55/1022107655.db2.gz FIZCXLHEKIFBQB-IRFCIJBXSA-N 1 1 317.436 3.742 20 30 DHEDMO Cc1cccc(CCC[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852330159 1022107804 /nfs/dbraw/zinc/10/78/04/1022107804.db2.gz AXODOFRYDZPJCF-OAQYLSRUSA-N 1 1 319.452 3.880 20 30 DHEDMO Cc1cccc(CCC[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852330159 1022107805 /nfs/dbraw/zinc/10/78/05/1022107805.db2.gz AXODOFRYDZPJCF-OAQYLSRUSA-N 1 1 319.452 3.880 20 30 DHEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CCCc2ccccc2)C1 ZINC000852325542 1022108004 /nfs/dbraw/zinc/10/80/04/1022108004.db2.gz HZWDDZSBYLPIOK-HXUWFJFHSA-N 1 1 305.425 3.572 20 30 DHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCCc2ccccc2)C1 ZINC000852325542 1022108008 /nfs/dbraw/zinc/10/80/08/1022108008.db2.gz HZWDDZSBYLPIOK-HXUWFJFHSA-N 1 1 305.425 3.572 20 30 DHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000852332847 1022109574 /nfs/dbraw/zinc/10/95/74/1022109574.db2.gz WHCQKUVKMXZHGN-FQEVSTJZSA-N 1 1 323.415 3.711 20 30 DHEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000852332847 1022109578 /nfs/dbraw/zinc/10/95/78/1022109578.db2.gz WHCQKUVKMXZHGN-FQEVSTJZSA-N 1 1 323.415 3.711 20 30 DHEDMO C#CC[N@H+](CC)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000746457812 1022111920 /nfs/dbraw/zinc/11/19/20/1022111920.db2.gz QURBLJIWTGHZLK-MRXNPFEDSA-N 1 1 306.409 3.955 20 30 DHEDMO C=CC[N@H+](Cc1ccc(Cl)nc1C(F)(F)F)[C@H](C)COC ZINC000852357254 1022113710 /nfs/dbraw/zinc/11/37/10/1022113710.db2.gz YXBHUSKJFQHNGR-SNVBAGLBSA-N 1 1 322.758 3.777 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Cl)nc1C(F)(F)F)[C@H](C)COC ZINC000852357254 1022113738 /nfs/dbraw/zinc/11/37/38/1022113738.db2.gz YXBHUSKJFQHNGR-SNVBAGLBSA-N 1 1 322.758 3.777 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2cc3c(C)nn(C)c3nc2Cl)C1 ZINC000852411990 1022117459 /nfs/dbraw/zinc/11/74/59/1022117459.db2.gz XOZBJCZFKUFNFU-ZDUSSCGKSA-N 1 1 318.852 3.718 20 30 DHEDMO CC[C@@H]1C[N@@H+](CCC(C)(C)C#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000776593685 1022117894 /nfs/dbraw/zinc/11/78/94/1022117894.db2.gz MJWRJWCIZSPIDL-CABCVRRESA-N 1 1 323.481 3.551 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000620309842 1022119185 /nfs/dbraw/zinc/11/91/85/1022119185.db2.gz FGCWAZOCJGNUBR-IXDOHACOSA-N 1 1 318.848 3.652 20 30 DHEDMO COc1cccc2cc(C[N@@H+](C)Cc3ccc(C#N)cc3)oc21 ZINC000920490710 1022129072 /nfs/dbraw/zinc/12/90/72/1022129072.db2.gz VUGXZONQWZFOMS-UHFFFAOYSA-N 1 1 306.365 3.945 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c(F)c1 ZINC000195345842 1022131719 /nfs/dbraw/zinc/13/17/19/1022131719.db2.gz XFZSNCGSEPNVRN-CQSZACIVSA-N 1 1 301.390 3.533 20 30 DHEDMO Cc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)c(-c2ccnn2C)c1 ZINC000338946861 1022133216 /nfs/dbraw/zinc/13/32/16/1022133216.db2.gz MOQWFYOSUNQQPX-OAHLLOKOSA-N 1 1 308.429 3.520 20 30 DHEDMO C[C@@H]1CCC[N@@H+](CCCC#N)[C@@H]1CCCNC(=O)OC(C)(C)C ZINC000852598285 1022148461 /nfs/dbraw/zinc/14/84/61/1022148461.db2.gz QAALDUOSGFADQY-HZPDHXFCSA-N 1 1 323.481 3.696 20 30 DHEDMO C[C@@H]1C[C@@H]([N@@H+](CCC#N)C2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168869049 1022158078 /nfs/dbraw/zinc/15/80/78/1022158078.db2.gz VXONMQBTLJXVKM-GDBMZVCRSA-N 1 1 321.465 3.543 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000852687632 1022159383 /nfs/dbraw/zinc/15/93/83/1022159383.db2.gz LTUNDBXCXFPOHJ-YESZJQIVSA-N 1 1 320.477 3.817 20 30 DHEDMO C=CC[N@H+](CCc1nc(C(C)=O)c(C)[nH]1)CC1CCCCC1 ZINC000659921628 1022178397 /nfs/dbraw/zinc/17/83/97/1022178397.db2.gz ZVLBNVSUUYWNDA-UHFFFAOYSA-N 1 1 303.450 3.532 20 30 DHEDMO C=CC[N@@H+](CCc1nc(C)c(C(C)=O)[nH]1)CC1CCCCC1 ZINC000659921628 1022178399 /nfs/dbraw/zinc/17/83/99/1022178399.db2.gz ZVLBNVSUUYWNDA-UHFFFAOYSA-N 1 1 303.450 3.532 20 30 DHEDMO C=CC[N@H+](CCc1nc(C)c(C(C)=O)[nH]1)CC1CCCCC1 ZINC000659921628 1022178404 /nfs/dbraw/zinc/17/84/04/1022178404.db2.gz ZVLBNVSUUYWNDA-UHFFFAOYSA-N 1 1 303.450 3.532 20 30 DHEDMO N#Cc1ccc(N[NH+]=Cc2ccccc2N2CCCCC2)cc1 ZINC000920941766 1022192382 /nfs/dbraw/zinc/19/23/82/1022192382.db2.gz PHQQCSZXBCYFED-UHFFFAOYSA-N 1 1 304.397 3.995 20 30 DHEDMO CCc1ccc(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000853355674 1022263012 /nfs/dbraw/zinc/26/30/12/1022263012.db2.gz SKYHJWZJHBANDV-UHFFFAOYSA-N 1 1 323.440 3.656 20 30 DHEDMO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000541391757 1022269281 /nfs/dbraw/zinc/26/92/81/1022269281.db2.gz ARMAUKQWYJJMQE-ZDUSSCGKSA-N 1 1 319.836 3.518 20 30 DHEDMO C#Cc1cccnc1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000853421488 1022270935 /nfs/dbraw/zinc/27/09/35/1022270935.db2.gz ZTMXKWMRVGOFMM-APWZRJJASA-N 1 1 305.425 3.528 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@](C)(Cc2ccccc2)CC1=O ZINC000853597664 1022297085 /nfs/dbraw/zinc/29/70/85/1022297085.db2.gz DIWKRKISMZBIGV-SVFBPWRDSA-N 1 1 324.468 3.608 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCOc1ccccc1C#N ZINC000609672293 1022325928 /nfs/dbraw/zinc/32/59/28/1022325928.db2.gz CVBXXNLFLBWAPA-APWZRJJASA-N 1 1 306.409 3.815 20 30 DHEDMO CCC[N@@H+](CCC#N)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169304996 1022353186 /nfs/dbraw/zinc/35/31/86/1022353186.db2.gz VWRWJPNKOYIVOU-UHFFFAOYSA-N 1 1 314.429 3.780 20 30 DHEDMO CC(C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC001169382285 1022381306 /nfs/dbraw/zinc/38/13/06/1022381306.db2.gz HXSBABGNISQELH-AWEZNQCLSA-N 1 1 319.836 3.518 20 30 DHEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H](C)CC(=O)N(CC)CC ZINC001169477516 1022416220 /nfs/dbraw/zinc/41/62/20/1022416220.db2.gz CNGSDNYTIBDISB-QGZVFWFLSA-N 1 1 302.462 3.712 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000610132558 1022424273 /nfs/dbraw/zinc/42/42/73/1022424273.db2.gz ABCQZYMQMSTJFB-INIZCTEOSA-N 1 1 316.445 3.846 20 30 DHEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(OC(F)(F)F)c1 ZINC000175708265 1022426815 /nfs/dbraw/zinc/42/68/15/1022426815.db2.gz DQIRJIBHBIDWNJ-NWDGAFQWSA-N 1 1 311.307 3.679 20 30 DHEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(OC(F)(F)F)c1 ZINC000175708284 1022427241 /nfs/dbraw/zinc/42/72/41/1022427241.db2.gz DQIRJIBHBIDWNJ-VXGBXAGGSA-N 1 1 311.307 3.679 20 30 DHEDMO C=CCNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000067949624 1022463242 /nfs/dbraw/zinc/46/32/42/1022463242.db2.gz CYUNFVIQEPIHSR-UHFFFAOYSA-N 1 1 302.447 3.502 20 30 DHEDMO COc1cccc(OCC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000195740774 1022507712 /nfs/dbraw/zinc/50/77/12/1022507712.db2.gz KTORJHKSFJXSSA-UHFFFAOYSA-N 1 1 324.424 3.856 20 30 DHEDMO C=CCn1ccc2c1nc[nH+]c2NC12CCC(C#N)(CC1)CC2 ZINC001169746793 1022520805 /nfs/dbraw/zinc/52/08/05/1022520805.db2.gz OSUFSOAXXJSBPM-UHFFFAOYSA-N 1 1 307.401 3.646 20 30 DHEDMO C#CC[N@@H+](Cc1csc(N(C)C2CC2)n1)C1CCCCC1 ZINC000766864354 1022567502 /nfs/dbraw/zinc/56/75/02/1022567502.db2.gz UBKNIVNBZRISCA-UHFFFAOYSA-N 1 1 303.475 3.510 20 30 DHEDMO C#CC[N@H+](Cc1csc(N(C)C2CC2)n1)C1CCCCC1 ZINC000766864354 1022567523 /nfs/dbraw/zinc/56/75/23/1022567523.db2.gz UBKNIVNBZRISCA-UHFFFAOYSA-N 1 1 303.475 3.510 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)cc1 ZINC000157907831 1022586386 /nfs/dbraw/zinc/58/63/86/1022586386.db2.gz DEBRYPFCZLSUGG-GOSISDBHSA-N 1 1 309.384 3.675 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000776797667 1022593158 /nfs/dbraw/zinc/59/31/58/1022593158.db2.gz KUUCCKQQXXQZNX-SFTDATJTSA-N 1 1 320.436 3.955 20 30 DHEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H]1CCCC2(C1)OCCO2 ZINC001169948687 1022597440 /nfs/dbraw/zinc/59/74/40/1022597440.db2.gz KAYSMJDLHUHPFE-SFHVURJKSA-N 1 1 301.430 3.750 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1c1ccc(NC2=CC(=O)CC(C)(C)C2)nc1 ZINC001169946575 1022597508 /nfs/dbraw/zinc/59/75/08/1022597508.db2.gz FQZRHMUOCRGEAA-QGZVFWFLSA-N 1 1 313.445 3.923 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000053220952 1022607974 /nfs/dbraw/zinc/60/79/74/1022607974.db2.gz NHRKGIHTAQFKEI-FQEVSTJZSA-N 1 1 324.399 3.879 20 30 DHEDMO C#CCOc1ccc(C[NH2+]Cc2coc(-c3cccs3)n2)cc1 ZINC000113328820 1022635371 /nfs/dbraw/zinc/63/53/71/1022635371.db2.gz YWEYFKJICAKGHN-UHFFFAOYSA-N 1 1 324.405 3.705 20 30 DHEDMO C#CCCOc1ccc(C[NH2+][C@@H](C)c2nc(C)cs2)cc1 ZINC000113334694 1022636073 /nfs/dbraw/zinc/63/60/73/1022636073.db2.gz DGODMCDQPHHTKM-AWEZNQCLSA-N 1 1 300.427 3.704 20 30 DHEDMO C=CC[C@@H]1N(C(=O)CCCn2cc[nH+]c2C)CCCC1(C)C ZINC000767229033 1022670659 /nfs/dbraw/zinc/67/06/59/1022670659.db2.gz QWSGTYHHXAAHCL-INIZCTEOSA-N 1 1 303.450 3.565 20 30 DHEDMO Cc1ccnc(N=NC2C[C@@H](C)C[N@H+](Cc3ccccc3)C2)c1 ZINC000767386070 1022709073 /nfs/dbraw/zinc/70/90/73/1022709073.db2.gz RDHBBIPWCAKJNF-MRXNPFEDSA-N 1 1 308.429 3.700 20 30 DHEDMO C[C@H]([NH2+]Cc1nccn1-c1ccccc1)c1cccc(C#N)c1 ZINC000616475738 1022721267 /nfs/dbraw/zinc/72/12/67/1022721267.db2.gz FGETWCXJGDJUKL-HNNXBMFYSA-N 1 1 302.381 3.595 20 30 DHEDMO CCC1CCC([N@@H+](CCO)Cc2ccc(C#N)cc2C)CC1 ZINC000617070515 1022828469 /nfs/dbraw/zinc/82/84/69/1022828469.db2.gz BOYCHUZLNPOTJN-UHFFFAOYSA-N 1 1 300.446 3.630 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767874155 1022832701 /nfs/dbraw/zinc/83/27/01/1022832701.db2.gz GEIOOBSDLVVMSG-HOCLYGCPSA-N 1 1 313.363 3.822 20 30 DHEDMO CC#CCCCC(=O)O[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000768009382 1022860990 /nfs/dbraw/zinc/86/09/90/1022860990.db2.gz HUAJPVUNMMDDFI-HKUYNNGSSA-N 1 1 313.441 3.634 20 30 DHEDMO CC(C)(C#N)CC[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000538514959 1033090250 /nfs/dbraw/zinc/09/02/50/1033090250.db2.gz YURUXPUDUZPUMH-UHFFFAOYSA-N 1 1 315.244 3.728 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1cccc(OC(F)(F)F)c1 ZINC000768153234 1022904040 /nfs/dbraw/zinc/90/40/40/1022904040.db2.gz BHVYTGRMWDUHRL-UHFFFAOYSA-N 1 1 300.324 3.957 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1cccc(OC(F)(F)F)c1 ZINC000768153234 1022904049 /nfs/dbraw/zinc/90/40/49/1022904049.db2.gz BHVYTGRMWDUHRL-UHFFFAOYSA-N 1 1 300.324 3.957 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000768153809 1022904487 /nfs/dbraw/zinc/90/44/87/1022904487.db2.gz KTBOXTPJFVQESC-IBGZPJMESA-N 1 1 316.445 3.616 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000768153809 1022904495 /nfs/dbraw/zinc/90/44/95/1022904495.db2.gz KTBOXTPJFVQESC-IBGZPJMESA-N 1 1 316.445 3.616 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000768139684 1022905311 /nfs/dbraw/zinc/90/53/11/1022905311.db2.gz GXMUPUSMSQCXIR-UHFFFAOYSA-N 1 1 313.195 3.755 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccc(F)cc2F)cc1 ZINC000768233722 1022929666 /nfs/dbraw/zinc/92/96/66/1022929666.db2.gz QKBPWGUGJAWBQL-CYBMUJFWSA-N 1 1 316.351 3.888 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc(F)cc2F)cc1 ZINC000768233722 1022929678 /nfs/dbraw/zinc/92/96/78/1022929678.db2.gz QKBPWGUGJAWBQL-CYBMUJFWSA-N 1 1 316.351 3.888 20 30 DHEDMO Cc1cccc(C[N@H+](C)Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000768264044 1022936874 /nfs/dbraw/zinc/93/68/74/1022936874.db2.gz ZFUMICKUOSAPHI-UHFFFAOYSA-N 1 1 307.441 3.977 20 30 DHEDMO C=C[C@H]1CCCCN1C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857195960 1022966106 /nfs/dbraw/zinc/96/61/06/1022966106.db2.gz LXCWAFXSPYXBHS-OALUTQOASA-N 1 1 312.457 3.677 20 30 DHEDMO COc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2F)cc1C#N ZINC000444697053 1023005553 /nfs/dbraw/zinc/00/55/53/1023005553.db2.gz PUHZGPUPICWLNH-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2F)cc1C#N ZINC000444697053 1023005566 /nfs/dbraw/zinc/00/55/66/1023005566.db2.gz PUHZGPUPICWLNH-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO Cc1cc(C)cc(C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)c1 ZINC000444697407 1023015621 /nfs/dbraw/zinc/01/56/21/1023015621.db2.gz YAJLTODXDQCKDD-UHFFFAOYSA-N 1 1 321.424 3.636 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801572923 1023035252 /nfs/dbraw/zinc/03/52/52/1023035252.db2.gz JHDNIJUWZJWNJZ-QAPCUYQASA-N 1 1 310.482 3.968 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ncc2ccccc2c1C#N ZINC001167752780 1023036478 /nfs/dbraw/zinc/03/64/78/1023036478.db2.gz ZNQBYEKIYXOYMH-OAHLLOKOSA-N 1 1 308.429 3.783 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CCN(C)C)c1ccccc1 ZINC001172296166 1033101162 /nfs/dbraw/zinc/10/11/62/1033101162.db2.gz XQWPYHYGGVNMHR-UWJYYQICSA-N 1 1 321.468 3.772 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000769317533 1023120791 /nfs/dbraw/zinc/12/07/91/1023120791.db2.gz SBVSZVKONCBPNO-OAQYLSRUSA-N 1 1 321.420 3.662 20 30 DHEDMO C#CCOc1ccccc1C[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000769446136 1023153695 /nfs/dbraw/zinc/15/36/95/1023153695.db2.gz ODNDBLIMMNYIKO-NRFANRHFSA-N 1 1 321.420 3.581 20 30 DHEDMO C#CCOc1ccccc1C[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000769446136 1023153697 /nfs/dbraw/zinc/15/36/97/1023153697.db2.gz ODNDBLIMMNYIKO-NRFANRHFSA-N 1 1 321.420 3.581 20 30 DHEDMO C=CC[N@H+](CCCOCC(F)(F)F)Cc1ccccc1F ZINC000053702600 1023172455 /nfs/dbraw/zinc/17/24/55/1023172455.db2.gz LCSBYLQKLZVQSI-UHFFFAOYSA-N 1 1 305.315 3.783 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)COC2 ZINC000769549436 1023177815 /nfs/dbraw/zinc/17/78/15/1023177815.db2.gz RMSRHGZTUVPTOE-LEWJYISDSA-N 1 1 318.420 3.989 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000769549436 1023177817 /nfs/dbraw/zinc/17/78/17/1023177817.db2.gz RMSRHGZTUVPTOE-LEWJYISDSA-N 1 1 318.420 3.989 20 30 DHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H]1CC[C@H](C)[C@H](C)C1)CCO2 ZINC001172377331 1033111753 /nfs/dbraw/zinc/11/17/53/1033111753.db2.gz LZLOUTZKWGHVIY-PXTPFGJHSA-N 1 1 321.505 3.885 20 30 DHEDMO Cn1c[nH+]c2cc(NCc3cccc(OCCCC#N)c3)ccc21 ZINC000770590182 1023328734 /nfs/dbraw/zinc/32/87/34/1023328734.db2.gz WSYVNRKFRIKGFM-UHFFFAOYSA-N 1 1 320.396 3.868 20 30 DHEDMO Clc1cccc(C#CC[NH+]2CCC(c3ncco3)CC2)c1 ZINC000931445928 1023418483 /nfs/dbraw/zinc/41/84/83/1023418483.db2.gz OEBWJWCOFSSEPB-UHFFFAOYSA-N 1 1 300.789 3.559 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000771938367 1023491199 /nfs/dbraw/zinc/49/11/99/1023491199.db2.gz JRMWCIUQIJQCFM-HXUWFJFHSA-N 1 1 305.425 3.983 20 30 DHEDMO CCc1ccc([C@H]2CCC[N@@H+](Cc3cc(C#N)ccn3)C2)cc1 ZINC001170038457 1023518561 /nfs/dbraw/zinc/51/85/61/1023518561.db2.gz FHASYPJVMUCMQH-IBGZPJMESA-N 1 1 305.425 3.895 20 30 DHEDMO C=CC[N@H+](Cc1coc(-c2cccc(F)c2)n1)[C@@H](C)COC ZINC000661245877 1023538649 /nfs/dbraw/zinc/53/86/49/1023538649.db2.gz DHOHJKMXXFIDMF-ZDUSSCGKSA-N 1 1 304.365 3.504 20 30 DHEDMO C=CC[N@@H+](Cc1coc(-c2cccc(F)c2)n1)[C@@H](C)COC ZINC000661245877 1023538655 /nfs/dbraw/zinc/53/86/55/1023538655.db2.gz DHOHJKMXXFIDMF-ZDUSSCGKSA-N 1 1 304.365 3.504 20 30 DHEDMO C=CC[N@H+](Cc1coc(-c2cccc(F)c2)n1)[C@H](C)COC ZINC000661245876 1023539331 /nfs/dbraw/zinc/53/93/31/1023539331.db2.gz DHOHJKMXXFIDMF-CYBMUJFWSA-N 1 1 304.365 3.504 20 30 DHEDMO C=CC[N@@H+](Cc1coc(-c2cccc(F)c2)n1)[C@H](C)COC ZINC000661245876 1023539337 /nfs/dbraw/zinc/53/93/37/1023539337.db2.gz DHOHJKMXXFIDMF-CYBMUJFWSA-N 1 1 304.365 3.504 20 30 DHEDMO C=CC[N@H+](Cc1nc(-c2cccs2)oc1C)[C@@H](C)COC ZINC000661246909 1023541747 /nfs/dbraw/zinc/54/17/47/1023541747.db2.gz LADCBTJHODJKPO-LBPRGKRZSA-N 1 1 306.431 3.734 20 30 DHEDMO C=CC[N@@H+](Cc1nc(-c2cccs2)oc1C)[C@@H](C)COC ZINC000661246909 1023541750 /nfs/dbraw/zinc/54/17/50/1023541750.db2.gz LADCBTJHODJKPO-LBPRGKRZSA-N 1 1 306.431 3.734 20 30 DHEDMO CCCCCCC[C@H](CC)[N@@H+]1CCn2cc(C(=O)OC)nc2C1 ZINC001172362024 1033142418 /nfs/dbraw/zinc/14/24/18/1033142418.db2.gz RDZRXQGKEJXWML-HNNXBMFYSA-N 1 1 321.465 3.624 20 30 DHEDMO CCCCCCC[C@H](CC)[N@H+]1CCn2cc(C(=O)OC)nc2C1 ZINC001172362024 1033142425 /nfs/dbraw/zinc/14/24/25/1033142425.db2.gz RDZRXQGKEJXWML-HNNXBMFYSA-N 1 1 321.465 3.624 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc([C@@H](C)OCC(C)C)no2)C1 ZINC000661380753 1023581668 /nfs/dbraw/zinc/58/16/68/1023581668.db2.gz OYWPKRVIQADGGM-HUUCEWRRSA-N 1 1 307.438 3.591 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc([C@@H](C)OCC(C)C)no2)C1 ZINC000661380753 1023581671 /nfs/dbraw/zinc/58/16/71/1023581671.db2.gz OYWPKRVIQADGGM-HUUCEWRRSA-N 1 1 307.438 3.591 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc([C@H](C)OCC(C)C)no2)C1 ZINC000661380754 1023581704 /nfs/dbraw/zinc/58/17/04/1023581704.db2.gz OYWPKRVIQADGGM-LSDHHAIUSA-N 1 1 307.438 3.591 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc([C@H](C)OCC(C)C)no2)C1 ZINC000661380754 1023581712 /nfs/dbraw/zinc/58/17/12/1023581712.db2.gz OYWPKRVIQADGGM-LSDHHAIUSA-N 1 1 307.438 3.591 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000661377762 1023583622 /nfs/dbraw/zinc/58/36/22/1023583622.db2.gz UDJONXCSFJPSHO-CYBMUJFWSA-N 1 1 301.365 3.664 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000661380001 1023584996 /nfs/dbraw/zinc/58/49/96/1023584996.db2.gz CVCWFQNTAGWJIP-CYBMUJFWSA-N 1 1 317.458 3.802 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000661380001 1023584999 /nfs/dbraw/zinc/58/49/99/1023584999.db2.gz CVCWFQNTAGWJIP-CYBMUJFWSA-N 1 1 317.458 3.802 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000859446091 1033144155 /nfs/dbraw/zinc/14/41/55/1033144155.db2.gz ZAIDVMOFVHCMIS-CQSZACIVSA-N 1 1 309.409 3.680 20 30 DHEDMO C[C@H](CCC#N)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000876794128 1033144345 /nfs/dbraw/zinc/14/43/45/1033144345.db2.gz MVJNEDILOJQGOD-AEFFLSMTSA-N 1 1 312.413 3.755 20 30 DHEDMO C=CCCCCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000785714037 1023612283 /nfs/dbraw/zinc/61/22/83/1023612283.db2.gz VABKCHWFISEULT-RTBURBONSA-N 1 1 303.446 3.557 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000785998744 1023650229 /nfs/dbraw/zinc/65/02/29/1023650229.db2.gz LTMNTAMEPCHLNZ-MRXNPFEDSA-N 1 1 308.466 3.674 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000785999560 1023650688 /nfs/dbraw/zinc/65/06/88/1023650688.db2.gz WFYWMKSWDLODGM-HOTGVXAUSA-N 1 1 308.466 3.674 20 30 DHEDMO C=CCCC[C@H](C(=O)N1CC[N@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC001137569134 1023659690 /nfs/dbraw/zinc/65/96/90/1023659690.db2.gz RRHYMPIGPFGTHG-HKUYNNGSSA-N 1 1 314.473 3.679 20 30 DHEDMO C=CCOCc1ncn2c1C[N@@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)CCC2 ZINC001172370922 1033151693 /nfs/dbraw/zinc/15/16/93/1033151693.db2.gz COQNCLFQFDBTEN-BRWVUGGUSA-N 1 1 317.477 3.616 20 30 DHEDMO C=CCOCc1ncn2c1C[N@@H+]([C@@H]1CC[C@H](C)[C@H](C)C1)CCC2 ZINC001172370923 1033152051 /nfs/dbraw/zinc/15/20/51/1033152051.db2.gz COQNCLFQFDBTEN-GVDBMIGSSA-N 1 1 317.477 3.616 20 30 DHEDMO C=C(C)COc1cc(C[N@H+](CC)[C@@H]2CCCOC2)ccc1OC ZINC000651948689 1023670835 /nfs/dbraw/zinc/67/08/35/1023670835.db2.gz SNZMXRNUWZPFBV-QGZVFWFLSA-N 1 1 319.445 3.651 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCCCC2=NOCc2cccnc2)C1 ZINC000746588161 1023696398 /nfs/dbraw/zinc/69/63/98/1023696398.db2.gz KWEYFEUZLFPKQI-JTDSTZFVSA-N 1 1 315.461 3.875 20 30 DHEDMO C=CCc1cc(C[N@H+](C)C2CCC(OC)CC2)cc(OC)c1O ZINC000093414945 1023720721 /nfs/dbraw/zinc/72/07/21/1023720721.db2.gz CRYZZSIMSVBONH-UHFFFAOYSA-N 1 1 319.445 3.519 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)C(C)(C)C ZINC000661754715 1023729815 /nfs/dbraw/zinc/72/98/15/1023729815.db2.gz BTUNKZYMVOEBLG-AWEZNQCLSA-N 1 1 306.425 3.632 20 30 DHEDMO C=CC[N@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)C(C)(C)C ZINC000661756628 1023731180 /nfs/dbraw/zinc/73/11/80/1023731180.db2.gz TYLSNAGHHHZAKC-UHFFFAOYSA-N 1 1 311.385 3.868 20 30 DHEDMO C=CC[N@@H+](Cc1nc2c3ccccc3oc2c(=O)[nH]1)C(C)(C)C ZINC000661756628 1023731186 /nfs/dbraw/zinc/73/11/86/1023731186.db2.gz TYLSNAGHHHZAKC-UHFFFAOYSA-N 1 1 311.385 3.868 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1OCC)C(C)(C)C ZINC000661759404 1023734230 /nfs/dbraw/zinc/73/42/30/1023734230.db2.gz FLGNNNLRQPQIJH-UHFFFAOYSA-N 1 1 304.434 3.700 20 30 DHEDMO Cc1c([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)cnn1C(C)(C)C ZINC000786917234 1023736540 /nfs/dbraw/zinc/73/65/40/1023736540.db2.gz NUWUTZOADRFDPU-GFCCVEGCSA-N 1 1 314.408 3.808 20 30 DHEDMO C=C(Br)C[N@H+](C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000746652476 1023765405 /nfs/dbraw/zinc/76/54/05/1023765405.db2.gz OAUJEOZOHZWSPJ-OAHLLOKOSA-N 1 1 310.235 3.913 20 30 DHEDMO C=C(Br)C[N@@H+](C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000746652476 1023765398 /nfs/dbraw/zinc/76/53/98/1023765398.db2.gz OAUJEOZOHZWSPJ-OAHLLOKOSA-N 1 1 310.235 3.913 20 30 DHEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000746671899 1023784193 /nfs/dbraw/zinc/78/41/93/1023784193.db2.gz POWPCSZWLCCFLC-FQEVSTJZSA-N 1 1 323.440 3.893 20 30 DHEDMO CCC1(CC)CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000787342348 1023789844 /nfs/dbraw/zinc/78/98/44/1023789844.db2.gz UHTIJZMSJRFPPE-SFHVURJKSA-N 1 1 300.446 3.884 20 30 DHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC000859536405 1033163530 /nfs/dbraw/zinc/16/35/30/1033163530.db2.gz ZQADSOJUONTZFV-UHFFFAOYSA-N 1 1 314.763 3.864 20 30 DHEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000859536405 1033163536 /nfs/dbraw/zinc/16/35/36/1033163536.db2.gz ZQADSOJUONTZFV-UHFFFAOYSA-N 1 1 314.763 3.864 20 30 DHEDMO C#CCC1(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CCCCC1 ZINC000788161018 1023860909 /nfs/dbraw/zinc/86/09/09/1023860909.db2.gz PHQUUAUHEYMJNI-SFHVURJKSA-N 1 1 318.505 3.589 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000662081043 1023889380 /nfs/dbraw/zinc/88/93/80/1023889380.db2.gz SLNFCQJMRUMYGH-NSHGMRRFSA-N 1 1 324.468 3.753 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000662084638 1023891728 /nfs/dbraw/zinc/89/17/28/1023891728.db2.gz UCDACBAFFIJOKP-VBQJREDUSA-N 1 1 316.832 3.628 20 30 DHEDMO CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](C#N)CCC#N ZINC000264876714 1033171822 /nfs/dbraw/zinc/17/18/22/1033171822.db2.gz PWEOFVQNKROLDX-CQSZACIVSA-N 1 1 320.234 3.715 20 30 DHEDMO CC[N@H+](Cc1cccc(Br)c1)C[C@@H](C#N)CCC#N ZINC000264876714 1033171832 /nfs/dbraw/zinc/17/18/32/1033171832.db2.gz PWEOFVQNKROLDX-CQSZACIVSA-N 1 1 320.234 3.715 20 30 DHEDMO CC[NH+](CC)[C@H](CNCc1ccc(C#N)cc1)c1ccccc1 ZINC000236892897 1023969226 /nfs/dbraw/zinc/96/92/26/1023969226.db2.gz MGGIQHWAVOLQSZ-HXUWFJFHSA-N 1 1 307.441 3.731 20 30 DHEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC001170096027 1023976856 /nfs/dbraw/zinc/97/68/56/1023976856.db2.gz UCZUGMZYQQGKIO-UHFFFAOYSA-N 1 1 324.380 3.629 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC001170096027 1023976866 /nfs/dbraw/zinc/97/68/66/1023976866.db2.gz UCZUGMZYQQGKIO-UHFFFAOYSA-N 1 1 324.380 3.629 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](CCCO)C2)cc1 ZINC000452136935 1023983189 /nfs/dbraw/zinc/98/31/89/1023983189.db2.gz ZFMXPJFZSWYXBF-KRWDZBQOSA-N 1 1 320.436 3.820 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)CCC(C)C ZINC000613878273 1023985734 /nfs/dbraw/zinc/98/57/34/1023985734.db2.gz RWZLUBQBXHRABX-UHFFFAOYSA-N 1 1 306.475 3.881 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCCN(c2ccccc2)C1 ZINC000531143320 1024035016 /nfs/dbraw/zinc/03/50/16/1024035016.db2.gz SZJFLJXKJQRKNC-IBGZPJMESA-N 1 1 323.415 3.798 20 30 DHEDMO C=CCC1(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CCCCC1 ZINC000452325672 1024050780 /nfs/dbraw/zinc/05/07/80/1024050780.db2.gz GVQYEJSCNYRGEN-QGZVFWFLSA-N 1 1 318.505 3.846 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCCc3ccc(F)cc32)n1 ZINC000789330081 1024051009 /nfs/dbraw/zinc/05/10/09/1024051009.db2.gz WKEFSRZBOYCRHV-LJQANCHMSA-N 1 1 311.404 3.555 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCCc3ccc(F)cc32)n1 ZINC000789330081 1024051028 /nfs/dbraw/zinc/05/10/28/1024051028.db2.gz WKEFSRZBOYCRHV-LJQANCHMSA-N 1 1 311.404 3.555 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000267331264 1024052755 /nfs/dbraw/zinc/05/27/55/1024052755.db2.gz AETOYUOAKKSDQK-UHFFFAOYSA-N 1 1 303.833 3.584 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000267424628 1024053038 /nfs/dbraw/zinc/05/30/38/1024053038.db2.gz XESSEMLLVAKDEX-UHFFFAOYSA-N 1 1 323.358 3.559 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](CC)CC(C)C)CC2 ZINC001172397290 1033180750 /nfs/dbraw/zinc/18/07/50/1033180750.db2.gz KWWVXVKULYLXSN-HKUYNNGSSA-N 1 1 306.494 3.844 20 30 DHEDMO Cc1[nH+]ccn1CCCNc1ccc(C(F)(F)F)cc1C#N ZINC000268238177 1024090087 /nfs/dbraw/zinc/09/00/87/1024090087.db2.gz WUUYPVCCPXPXPE-UHFFFAOYSA-N 1 1 308.307 3.584 20 30 DHEDMO N#Cc1cc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)ccc1F ZINC000268264120 1024092578 /nfs/dbraw/zinc/09/25/78/1024092578.db2.gz YDTASRQWDCUYOM-HXUWFJFHSA-N 1 1 324.399 3.569 20 30 DHEDMO Cc1nc2sccn2c1C[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000268457423 1024115212 /nfs/dbraw/zinc/11/52/12/1024115212.db2.gz CPJHXZUXCYWXPV-CYBMUJFWSA-N 1 1 310.426 3.769 20 30 DHEDMO Cc1ccc(C[N@H+](C[C@H](O)c2ccc(C#N)cc2)C(C)C)s1 ZINC000268644334 1024137636 /nfs/dbraw/zinc/13/76/36/1024137636.db2.gz TXGXIKDFEACNBV-SFHVURJKSA-N 1 1 314.454 3.872 20 30 DHEDMO CC(C)C[N@H+](Cc1nccn1C(F)F)Cc1ccc(C#N)cc1 ZINC000350656826 1024162728 /nfs/dbraw/zinc/16/27/28/1024162728.db2.gz KFCUPYWWDLXCIO-UHFFFAOYSA-N 1 1 318.371 3.808 20 30 DHEDMO CC(C)C[N@@H+](Cc1nccn1C(F)F)Cc1ccc(C#N)cc1 ZINC000350656826 1024162734 /nfs/dbraw/zinc/16/27/34/1024162734.db2.gz KFCUPYWWDLXCIO-UHFFFAOYSA-N 1 1 318.371 3.808 20 30 DHEDMO C[C@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000531488943 1024174382 /nfs/dbraw/zinc/17/43/82/1024174382.db2.gz UYRPQRMAGSHITQ-AWEZNQCLSA-N 1 1 302.381 3.799 20 30 DHEDMO CC(C)[N@H+]1CC[C@H](CNc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000531534992 1024202211 /nfs/dbraw/zinc/20/22/11/1024202211.db2.gz JQEFUGAQXTWHJE-CYBMUJFWSA-N 1 1 311.351 3.719 20 30 DHEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000268968301 1024207048 /nfs/dbraw/zinc/20/70/48/1024207048.db2.gz KUKQZYZSIGUYLT-MSOLQXFVSA-N 1 1 300.446 3.613 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000269009770 1024221433 /nfs/dbraw/zinc/22/14/33/1024221433.db2.gz UINKFUNUERQRBC-HXUWFJFHSA-N 1 1 320.436 3.579 20 30 DHEDMO C[C@@H](CCCC#N)[NH2+][C@H](C(=O)OC(C)(C)C)C1CCCCC1 ZINC001172483765 1033196142 /nfs/dbraw/zinc/19/61/42/1033196142.db2.gz UALHWFBSZVCMAQ-HOCLYGCPSA-N 1 1 308.466 3.949 20 30 DHEDMO C=CCOCCCC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000269614928 1024297135 /nfs/dbraw/zinc/29/71/35/1024297135.db2.gz ZUBZDCDYWWENIL-UHFFFAOYSA-N 1 1 316.445 3.580 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CC[C@H](C)C1)[C@@H]2CC ZINC001170139432 1024317980 /nfs/dbraw/zinc/31/79/80/1024317980.db2.gz UXPBNHUCWRSOHH-BMFAXAFESA-N 1 1 304.478 3.597 20 30 DHEDMO C#CCCOc1ccc(C[NH2+]Cc2ccc(C)nc2Cl)cc1 ZINC000883292407 1024354625 /nfs/dbraw/zinc/35/46/25/1024354625.db2.gz NMEVWZXSZNOOPM-UHFFFAOYSA-N 1 1 314.816 3.735 20 30 DHEDMO Cc1ccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c(Cl)n1 ZINC000883292595 1024356128 /nfs/dbraw/zinc/35/61/28/1024356128.db2.gz SVJJEQDTVKWJHZ-CYBMUJFWSA-N 1 1 315.804 3.624 20 30 DHEDMO CC[N@@H+](Cc1cc(OC)cc(C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000270356597 1024382006 /nfs/dbraw/zinc/38/20/06/1024382006.db2.gz XEMAOVOQAPRSJK-HNNXBMFYSA-N 1 1 309.413 3.853 20 30 DHEDMO C#CC[C@@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccccc1 ZINC000790981175 1024423524 /nfs/dbraw/zinc/42/35/24/1024423524.db2.gz SQVSFMCQYQGZRD-LJQANCHMSA-N 1 1 301.393 3.727 20 30 DHEDMO CC(C)C[N@@H+](CCC(C)(C)C#N)C[C@@H](O)c1ccc(F)cc1 ZINC000131696838 1024425169 /nfs/dbraw/zinc/42/51/69/1024425169.db2.gz ZDJVKURLCBGVNA-QGZVFWFLSA-N 1 1 306.425 3.757 20 30 DHEDMO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000271057459 1024451971 /nfs/dbraw/zinc/45/19/71/1024451971.db2.gz ULKCHNNKNLWPTL-UHFFFAOYSA-N 1 1 310.445 3.759 20 30 DHEDMO CC(C)OCC[C@H](C)[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001172458089 1033213560 /nfs/dbraw/zinc/21/35/60/1033213560.db2.gz XVYLVJOVFZONMI-QFBILLFUSA-N 1 1 316.445 3.605 20 30 DHEDMO CC(C)OCC[C@H](C)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001172460597 1033216115 /nfs/dbraw/zinc/21/61/15/1033216115.db2.gz PQEIDWKGHUGKCH-QFBILLFUSA-N 1 1 316.445 3.605 20 30 DHEDMO C=C(C)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000103479225 1024560756 /nfs/dbraw/zinc/56/07/56/1024560756.db2.gz PCUXSIBOLGVWBU-CQSZACIVSA-N 1 1 301.365 3.631 20 30 DHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2nc3ccccc3o2)c1 ZINC000877047150 1033220759 /nfs/dbraw/zinc/22/07/59/1033220759.db2.gz YFWYMKSTQOFATL-HNNXBMFYSA-N 1 1 321.380 3.799 20 30 DHEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)C(C)(C)c1ccccc1 ZINC000585767826 1024605077 /nfs/dbraw/zinc/60/50/77/1024605077.db2.gz GMTCHZIYXSAEFV-UHFFFAOYSA-N 1 1 304.397 3.573 20 30 DHEDMO CCCO[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000108394236 1024639849 /nfs/dbraw/zinc/63/98/49/1024639849.db2.gz MQQZBEYYYCGCKL-KRWDZBQOSA-N 1 1 311.429 3.592 20 30 DHEDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000475727705 1024684432 /nfs/dbraw/zinc/68/44/32/1024684432.db2.gz PGYKFZKSPMDRGL-UPJWGTAASA-N 1 1 319.836 3.517 20 30 DHEDMO CCCCCCCC[C@H](CC)N1CC[NH+](CC(C)(C)O)CC1 ZINC001172500631 1033229871 /nfs/dbraw/zinc/22/98/71/1033229871.db2.gz BLUAFENLZOGATN-SFHVURJKSA-N 1 1 312.542 3.904 20 30 DHEDMO N#Cc1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001170331132 1024747062 /nfs/dbraw/zinc/74/70/62/1024747062.db2.gz NNOHJJVCUFIRAV-LDLYASANSA-N 1 1 318.424 3.561 20 30 DHEDMO N#Cc1ccnc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001170331213 1024747499 /nfs/dbraw/zinc/74/74/99/1024747499.db2.gz RHQLYIMIMNSAAU-LDLYASANSA-N 1 1 318.424 3.561 20 30 DHEDMO C[C@H]1C[C@H]1c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)o1 ZINC000349818422 1024758833 /nfs/dbraw/zinc/75/88/33/1024758833.db2.gz IZMXAPDAFQNEDG-MAUKXSAKSA-N 1 1 321.424 3.597 20 30 DHEDMO CC1(C)C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCC1=O ZINC001170389259 1024760817 /nfs/dbraw/zinc/76/08/17/1024760817.db2.gz OUGXZAIFAOURIR-UHFFFAOYSA-N 1 1 310.441 3.692 20 30 DHEDMO CC1(C)C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCCO1 ZINC001170388755 1024761348 /nfs/dbraw/zinc/76/13/48/1024761348.db2.gz CNROHDJSSYSDEB-UHFFFAOYSA-N 1 1 312.457 3.891 20 30 DHEDMO CC[N@@H+](CCOC)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000349860514 1024763231 /nfs/dbraw/zinc/76/32/31/1024763231.db2.gz IETYACXXRCCILA-UHFFFAOYSA-N 1 1 324.424 3.606 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@H]3OCCC[C@H]3C2)CC1 ZINC001170378766 1024766436 /nfs/dbraw/zinc/76/64/36/1024766436.db2.gz KNJYLFBOFKTCHW-RCKXYERXSA-N 1 1 324.468 3.891 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)CC1 ZINC001170405673 1024769128 /nfs/dbraw/zinc/76/91/28/1024769128.db2.gz NGTQKNCFWBOKND-BZYYEOTJSA-N 1 1 322.452 3.692 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+](C)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001172509891 1033237834 /nfs/dbraw/zinc/23/78/34/1033237834.db2.gz SMDJJNKTWSUIIY-OAGGEKHMSA-N 1 1 323.481 3.836 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+](C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001172509022 1033238415 /nfs/dbraw/zinc/23/84/15/1033238415.db2.gz JCZWNOINQHDVSH-BZUAXINKSA-N 1 1 323.481 3.836 20 30 DHEDMO C[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C(C)(C)C1 ZINC000350181886 1024797969 /nfs/dbraw/zinc/79/79/69/1024797969.db2.gz UBFOPPJUSQFFEM-HNNXBMFYSA-N 1 1 323.440 3.858 20 30 DHEDMO CCCCCCCC[C@@H](CC)[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001172505500 1033235717 /nfs/dbraw/zinc/23/57/17/1033235717.db2.gz OEVHIHLYDQCHJI-HZPDHXFCSA-N 1 1 303.512 3.635 20 30 DHEDMO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1F ZINC000877106626 1033242100 /nfs/dbraw/zinc/24/21/00/1033242100.db2.gz TXMCDSLDHILLFK-LLVKDONJSA-N 1 1 303.768 3.905 20 30 DHEDMO C=C(C)[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)c(F)c1 ZINC000893667912 1024890526 /nfs/dbraw/zinc/89/05/26/1024890526.db2.gz GDORJJNODNSWQM-KRWWSPQJSA-N 1 1 306.400 3.797 20 30 DHEDMO C=CCN1c2ccccc2[C@]2(CC[N@H+](CC(CC)CC)C2)C1=O ZINC001275074417 1024901976 /nfs/dbraw/zinc/90/19/76/1024901976.db2.gz ORIKAODUWRMXMU-HXUWFJFHSA-N 1 1 312.457 3.599 20 30 DHEDMO C[N@H+]1CCCC(=NNCc2c(Cl)cccc2Cl)CC1 ZINC000793116049 1024905205 /nfs/dbraw/zinc/90/52/05/1024905205.db2.gz WAQIAAWUVJWUIW-UHFFFAOYSA-N 1 1 300.233 3.555 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@]12CCN(CCCC#N)C2=O ZINC001275113779 1024922671 /nfs/dbraw/zinc/92/26/71/1024922671.db2.gz IIFAVCVAYQFWDW-LJQANCHMSA-N 1 1 319.493 3.718 20 30 DHEDMO C=CCN1CC[C@]2(CC[N@H+](CC[C@H](C)CCC=C(C)C)C2)C1=O ZINC001275125662 1024924346 /nfs/dbraw/zinc/92/43/46/1024924346.db2.gz YXZCBXCRMNTHKM-QUCCMNQESA-N 1 1 318.505 3.869 20 30 DHEDMO C=CCN1CC[C@@]2(CC[N@H+](CC[C@@H](C)CCC=C(C)C)C2)C1=O ZINC001275125656 1024925918 /nfs/dbraw/zinc/92/59/18/1024925918.db2.gz YXZCBXCRMNTHKM-AZUAARDMSA-N 1 1 318.505 3.869 20 30 DHEDMO CC[N@@H+](Cc1ccc(OC)c(O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119860885 1025000183 /nfs/dbraw/zinc/00/01/83/1025000183.db2.gz DSQPMPOSEBNTKK-AWEZNQCLSA-N 1 1 310.397 3.856 20 30 DHEDMO C=CCOc1cccc(C[N@@H+](CCCO)Cc2ccccc2)c1 ZINC000353332209 1025030433 /nfs/dbraw/zinc/03/04/33/1025030433.db2.gz YPCUAADEFYQFTN-UHFFFAOYSA-N 1 1 311.425 3.636 20 30 DHEDMO CC[C@](C)([NH2+]Cc1ccc(C#N)cc1OC)c1nc(C)cs1 ZINC000121465704 1025097910 /nfs/dbraw/zinc/09/79/10/1025097910.db2.gz LSECQKGERMAMBL-KRWDZBQOSA-N 1 1 315.442 3.747 20 30 DHEDMO N#Cc1cc(C[NH2+]C2(c3nccs3)CCCC2)ccc1F ZINC000121597865 1025104391 /nfs/dbraw/zinc/10/43/91/1025104391.db2.gz ICLHCKUQATWOGW-UHFFFAOYSA-N 1 1 301.390 3.713 20 30 DHEDMO Cc1ccc2nc(C[N@@H+]3CCc4ccc(C#N)cc4C3)ccc2c1 ZINC001137211771 1025159292 /nfs/dbraw/zinc/15/92/92/1025159292.db2.gz ZNLUUOUHPVYAJN-UHFFFAOYSA-N 1 1 313.404 3.973 20 30 DHEDMO Cc1ccc2nc(C[N@H+]3CCc4ccc(C#N)cc4C3)ccc2c1 ZINC001137211771 1025159301 /nfs/dbraw/zinc/15/93/01/1025159301.db2.gz ZNLUUOUHPVYAJN-UHFFFAOYSA-N 1 1 313.404 3.973 20 30 DHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001167889378 1025192158 /nfs/dbraw/zinc/19/21/58/1025192158.db2.gz LEEWNYQUPMQXRD-GDBMZVCRSA-N 1 1 312.413 3.592 20 30 DHEDMO CCCOc1ccc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)cc1OC ZINC000112529371 1025247552 /nfs/dbraw/zinc/24/75/52/1025247552.db2.gz XSYKGGAKWXOBFT-CABCVRRESA-N 1 1 315.417 3.578 20 30 DHEDMO CCCOc1ccc([C@H](C)[NH2+]C[C@H](C#N)CCC#N)cc1OC ZINC000112529374 1025248748 /nfs/dbraw/zinc/24/87/48/1025248748.db2.gz XSYKGGAKWXOBFT-GJZGRUSLSA-N 1 1 315.417 3.578 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C[C@H](C)OC)C(C)C)cc1OC ZINC000353809409 1025256629 /nfs/dbraw/zinc/25/66/29/1025256629.db2.gz NLEZKMJJXNNLND-HNNXBMFYSA-N 1 1 307.434 3.505 20 30 DHEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(Br)c1 ZINC000352853773 1025284265 /nfs/dbraw/zinc/28/42/65/1025284265.db2.gz OKKHIVSIODMSNH-SECBINFHSA-N 1 1 322.231 3.628 20 30 DHEDMO C[N@H+](Cc1cccc(OCc2ccccn2)c1)CC(C)(C)C#N ZINC000354017999 1025321836 /nfs/dbraw/zinc/32/18/36/1025321836.db2.gz NPXSIEASYHXALO-UHFFFAOYSA-N 1 1 309.413 3.642 20 30 DHEDMO C[N@@H+](Cc1cccc(OCc2ccccn2)c1)CC(C)(C)C#N ZINC000354017999 1025321842 /nfs/dbraw/zinc/32/18/42/1025321842.db2.gz NPXSIEASYHXALO-UHFFFAOYSA-N 1 1 309.413 3.642 20 30 DHEDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000354081396 1025342496 /nfs/dbraw/zinc/34/24/96/1025342496.db2.gz GFCHIUXBQVFZCC-LJQANCHMSA-N 1 1 316.445 4.000 20 30 DHEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Br)cc1 ZINC000032514528 1025362802 /nfs/dbraw/zinc/36/28/02/1025362802.db2.gz VMZRRRRSWOMPNW-RYUDHWBXSA-N 1 1 306.207 3.543 20 30 DHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885971135 1025424388 /nfs/dbraw/zinc/42/43/88/1025424388.db2.gz REDBESRUIPEZFD-UHFFFAOYSA-N 1 1 324.384 3.520 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000885971135 1025424395 /nfs/dbraw/zinc/42/43/95/1025424395.db2.gz REDBESRUIPEZFD-UHFFFAOYSA-N 1 1 324.384 3.520 20 30 DHEDMO C=CCCCCCC[N@@H+]1CC[C@@]2(CCN([C@H](C)CC)C2=O)C1 ZINC001275328765 1025437695 /nfs/dbraw/zinc/43/76/95/1025437695.db2.gz CEECKISGLQCCRD-IEBWSBKVSA-N 1 1 306.494 3.846 20 30 DHEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886015273 1025441074 /nfs/dbraw/zinc/44/10/74/1025441074.db2.gz ZLVPNILWONRESU-RCCFBDPRSA-N 1 1 312.457 3.618 20 30 DHEDMO C=CCCC1(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000354601522 1025465396 /nfs/dbraw/zinc/46/53/96/1025465396.db2.gz NEDSJQWAXJHNQT-UHFFFAOYSA-N 1 1 314.473 3.889 20 30 DHEDMO CC(C)[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCCO1 ZINC000354793748 1025508451 /nfs/dbraw/zinc/50/84/51/1025508451.db2.gz STLZOJDHTGYCIX-IBGZPJMESA-N 1 1 316.445 3.616 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886220808 1025563619 /nfs/dbraw/zinc/56/36/19/1025563619.db2.gz NDXILXDZVQIACD-RWQQGDIJSA-N 1 1 312.457 3.698 20 30 DHEDMO C[C@@H](CCC#N)C[NH2+][C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC000877378731 1033292015 /nfs/dbraw/zinc/29/20/15/1033292015.db2.gz VOZKBWUYLAVWBI-DOTOQJQBSA-N 1 1 316.445 3.674 20 30 DHEDMO C=CCCC1(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000355038428 1025588188 /nfs/dbraw/zinc/58/81/88/1025588188.db2.gz LEIYKDUBOZQLDA-WMZOPIPTSA-N 1 1 312.457 3.685 20 30 DHEDMO CC[N@@H+](CCC1CC1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000355068105 1025597394 /nfs/dbraw/zinc/59/73/94/1025597394.db2.gz VMKVZQLLTVIIRZ-UHFFFAOYSA-N 1 1 308.429 3.581 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000886354026 1025599584 /nfs/dbraw/zinc/59/95/84/1025599584.db2.gz UWRBWIJFQFIWSD-CYBMUJFWSA-N 1 1 300.789 3.840 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000886353837 1025600270 /nfs/dbraw/zinc/60/02/70/1025600270.db2.gz QZOVXWZXVKINHI-QGZVFWFLSA-N 1 1 318.420 3.784 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000886354980 1025603112 /nfs/dbraw/zinc/60/31/12/1025603112.db2.gz AEPHAEPECPJFPX-ZDUSSCGKSA-N 1 1 300.789 3.840 20 30 DHEDMO CCc1ncc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000355358842 1025690249 /nfs/dbraw/zinc/69/02/49/1025690249.db2.gz ZFVKAQITHWEJAR-UHFFFAOYSA-N 1 1 309.438 3.866 20 30 DHEDMO CSc1ccc(C[NH2+][C@H](C)c2ccc(F)cn2)cc1C#N ZINC000886687843 1025786828 /nfs/dbraw/zinc/78/68/28/1025786828.db2.gz GEMSETGOBNUPTM-LLVKDONJSA-N 1 1 301.390 3.665 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)ccc1O ZINC000614164669 1025787063 /nfs/dbraw/zinc/78/70/63/1025787063.db2.gz OGMFTAXCURDAEV-UHFFFAOYSA-N 1 1 324.424 3.834 20 30 DHEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168217 1025791734 /nfs/dbraw/zinc/79/17/34/1025791734.db2.gz YRCOGUVBHCCPEL-QGZVFWFLSA-N 1 1 322.452 3.871 20 30 DHEDMO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC000886691600 1025794193 /nfs/dbraw/zinc/79/41/93/1025794193.db2.gz IDFYBDBOVZUSJV-ZDUSSCGKSA-N 1 1 317.483 3.839 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000614173463 1025798323 /nfs/dbraw/zinc/79/83/23/1025798323.db2.gz XNDJUAFCHAMZKC-UHFFFAOYSA-N 1 1 320.436 3.794 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000614177468 1025803878 /nfs/dbraw/zinc/80/38/78/1025803878.db2.gz NWLREGYVYRWQCU-SFHVURJKSA-N 1 1 312.457 3.736 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000614182251 1025824980 /nfs/dbraw/zinc/82/49/80/1025824980.db2.gz JQSPNBVPIJAJQZ-HNNXBMFYSA-N 1 1 308.372 3.691 20 30 DHEDMO C[C@H]1CCN(Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000354007810 1025924939 /nfs/dbraw/zinc/92/49/39/1025924939.db2.gz AOHVQLMYQOPLFJ-SFHVURJKSA-N 1 1 319.452 3.655 20 30 DHEDMO C[C@H](CCC#N)[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000411306084 1025935478 /nfs/dbraw/zinc/93/54/78/1025935478.db2.gz LACIKBABWYSJFJ-UYAOXDASSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000411306084 1025935499 /nfs/dbraw/zinc/93/54/99/1025935499.db2.gz LACIKBABWYSJFJ-UYAOXDASSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@H](CCC#N)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000411306084 1025935517 /nfs/dbraw/zinc/93/55/17/1025935517.db2.gz LACIKBABWYSJFJ-UYAOXDASSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@H](CCC#N)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000411306084 1025935530 /nfs/dbraw/zinc/93/55/30/1025935530.db2.gz LACIKBABWYSJFJ-UYAOXDASSA-N 1 1 311.473 3.667 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c(C(F)(F)F)c1 ZINC000886816217 1025938934 /nfs/dbraw/zinc/93/89/34/1025938934.db2.gz PIOJQKTTYNDKNM-ZBFHGGJFSA-N 1 1 324.346 3.578 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1c[nH]c2nccnc12 ZINC000356092715 1025941414 /nfs/dbraw/zinc/94/14/14/1025941414.db2.gz UQPGALWSKPUCDN-UHFFFAOYSA-N 1 1 318.833 3.813 20 30 DHEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1c[nH]c2nccnc12 ZINC000356092715 1025941416 /nfs/dbraw/zinc/94/14/16/1025941416.db2.gz UQPGALWSKPUCDN-UHFFFAOYSA-N 1 1 318.833 3.813 20 30 DHEDMO CO[C@H](C)C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000356104506 1025948852 /nfs/dbraw/zinc/94/88/52/1025948852.db2.gz ARRXINWAXXOHMO-GFCCVEGCSA-N 1 1 314.351 3.822 20 30 DHEDMO N#Cc1csc(C[N@H+](CCc2cccc(F)c2)C2CC2)c1 ZINC000093438623 1025950288 /nfs/dbraw/zinc/95/02/88/1025950288.db2.gz STEDWTLTYUTVTL-UHFFFAOYSA-N 1 1 300.402 3.966 20 30 DHEDMO C[C@@]1(CCc2ccccc2)CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356119667 1025953469 /nfs/dbraw/zinc/95/34/69/1025953469.db2.gz FQYVZPIRJRHNQP-GOSISDBHSA-N 1 1 311.454 3.860 20 30 DHEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356119667 1025953478 /nfs/dbraw/zinc/95/34/78/1025953478.db2.gz FQYVZPIRJRHNQP-GOSISDBHSA-N 1 1 311.454 3.860 20 30 DHEDMO C[C@]1(CCc2ccccc2)CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356119675 1025955154 /nfs/dbraw/zinc/95/51/54/1025955154.db2.gz FQYVZPIRJRHNQP-SFHVURJKSA-N 1 1 311.454 3.860 20 30 DHEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356119675 1025955169 /nfs/dbraw/zinc/95/51/69/1025955169.db2.gz FQYVZPIRJRHNQP-SFHVURJKSA-N 1 1 311.454 3.860 20 30 DHEDMO N#CC1(CC[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)CCCCC1 ZINC000411420575 1025999647 /nfs/dbraw/zinc/99/96/47/1025999647.db2.gz QQTBVTIJCKKOSC-KBPBESRZSA-N 1 1 318.383 3.628 20 30 DHEDMO C=CCCC1(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000356386928 1026038528 /nfs/dbraw/zinc/03/85/28/1026038528.db2.gz WSDOJUGHVOBWES-AEFFLSMTSA-N 1 1 312.457 3.512 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000356513130 1026065805 /nfs/dbraw/zinc/06/58/05/1026065805.db2.gz HYZOBJAGMPLIEO-TVRKMHQQSA-N 1 1 314.473 3.758 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000356513130 1026065822 /nfs/dbraw/zinc/06/58/22/1026065822.db2.gz HYZOBJAGMPLIEO-TVRKMHQQSA-N 1 1 314.473 3.758 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000356506801 1026066414 /nfs/dbraw/zinc/06/64/14/1026066414.db2.gz PVJLLQBHHJZTPW-INIZCTEOSA-N 1 1 317.820 3.548 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000356522242 1026070858 /nfs/dbraw/zinc/07/08/58/1026070858.db2.gz IJEQUARLERDPHX-OALUTQOASA-N 1 1 313.441 3.785 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000245552309 1026072594 /nfs/dbraw/zinc/07/25/94/1026072594.db2.gz CTCSBWPCGPHFJN-QFBILLFUSA-N 1 1 321.424 3.664 20 30 DHEDMO N#Cc1ccc(N2CCC[N@H+](C3CCCC3)CC2)cc1Cl ZINC000077995003 1026116275 /nfs/dbraw/zinc/11/62/75/1026116275.db2.gz OTTVHTLLEOXLBB-UHFFFAOYSA-N 1 1 303.837 3.666 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000532976450 1026159738 /nfs/dbraw/zinc/15/97/38/1026159738.db2.gz ADMCWETZOWUOJB-LBPRGKRZSA-N 1 1 314.351 3.930 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000533004451 1026173023 /nfs/dbraw/zinc/17/30/23/1026173023.db2.gz DJLXLXHHJSXMTJ-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000533004451 1026173037 /nfs/dbraw/zinc/17/30/37/1026173037.db2.gz DJLXLXHHJSXMTJ-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000614397346 1026291497 /nfs/dbraw/zinc/29/14/97/1026291497.db2.gz NCNRYBPJJQNDEV-FQEVSTJZSA-N 1 1 306.409 3.613 20 30 DHEDMO Cc1cc(C#N)ccc1CN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000614402899 1026297133 /nfs/dbraw/zinc/29/71/33/1026297133.db2.gz XTOBCOMVMBXGIN-NRFANRHFSA-N 1 1 319.452 3.573 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000614402899 1026297149 /nfs/dbraw/zinc/29/71/49/1026297149.db2.gz XTOBCOMVMBXGIN-NRFANRHFSA-N 1 1 319.452 3.573 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000614402899 1026297160 /nfs/dbraw/zinc/29/71/60/1026297160.db2.gz XTOBCOMVMBXGIN-NRFANRHFSA-N 1 1 319.452 3.573 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000614403874 1026298187 /nfs/dbraw/zinc/29/81/87/1026298187.db2.gz UZWVSZBSNDORSI-FOIQADDNSA-N 1 1 306.409 3.691 20 30 DHEDMO Cc1ncccc1OC[C@@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000419379950 1026310865 /nfs/dbraw/zinc/31/08/65/1026310865.db2.gz BBSPPQYAASOHHL-KRWDZBQOSA-N 1 1 315.461 3.953 20 30 DHEDMO CCC[C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000747524341 1026374982 /nfs/dbraw/zinc/37/49/82/1026374982.db2.gz IKLWDVUAOVKOFC-QGZVFWFLSA-N 1 1 315.461 3.671 20 30 DHEDMO C=CCCC[N@@H+](C)Cc1c(C)nn(-c2ccccn2)c1Cl ZINC000809579995 1026554324 /nfs/dbraw/zinc/55/43/24/1026554324.db2.gz JALZWRHSKLGXHS-UHFFFAOYSA-N 1 1 304.825 3.627 20 30 DHEDMO C=CCCC[N@H+](C)Cc1c(C)nn(-c2ccccn2)c1Cl ZINC000809579995 1026554329 /nfs/dbraw/zinc/55/43/29/1026554329.db2.gz JALZWRHSKLGXHS-UHFFFAOYSA-N 1 1 304.825 3.627 20 30 DHEDMO C#C[C@H](C)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000809683919 1026593349 /nfs/dbraw/zinc/59/33/49/1026593349.db2.gz KZADYVZGRVLSGE-JTQLQIEISA-N 1 1 310.344 3.940 20 30 DHEDMO C#C[C@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1Cl)C(C)C ZINC000809685759 1026594001 /nfs/dbraw/zinc/59/40/01/1026594001.db2.gz PWLZGHXONYDCBZ-INIZCTEOSA-N 1 1 301.821 3.582 20 30 DHEDMO C#CC[N@@H+](Cc1c[nH]nc1-c1cccs1)Cc1ccccc1 ZINC000809715832 1026602158 /nfs/dbraw/zinc/60/21/58/1026602158.db2.gz HDIIHOJQEJXUCP-UHFFFAOYSA-N 1 1 307.422 3.774 20 30 DHEDMO CC(C)[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)c(F)c1 ZINC000810151285 1026695619 /nfs/dbraw/zinc/69/56/19/1026695619.db2.gz WUHZHWBKEKWNIG-HNNXBMFYSA-N 1 1 307.369 3.780 20 30 DHEDMO C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183193686 1026705891 /nfs/dbraw/zinc/70/58/91/1026705891.db2.gz PFYIDFYOESMIAI-FRQCXROJSA-N 1 1 311.473 3.862 20 30 DHEDMO C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183193686 1026705896 /nfs/dbraw/zinc/70/58/96/1026705896.db2.gz PFYIDFYOESMIAI-FRQCXROJSA-N 1 1 311.473 3.862 20 30 DHEDMO C=CCSc1ccccc1C(=O)O[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000810850897 1026874559 /nfs/dbraw/zinc/87/45/59/1026874559.db2.gz OZQWYQFOKNUUAE-LSDHHAIUSA-N 1 1 317.454 3.748 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1F ZINC000420947491 1026886918 /nfs/dbraw/zinc/88/69/18/1026886918.db2.gz MXFREOAAACVWTR-LBPRGKRZSA-N 1 1 300.299 3.862 20 30 DHEDMO N#CC1(CCC[N@@H+]2CCC[C@H](CC(F)(F)F)C2)CCOCC1 ZINC000420953080 1026890507 /nfs/dbraw/zinc/89/05/07/1026890507.db2.gz SMSGOSLIODEWQE-CQSZACIVSA-N 1 1 318.383 3.751 20 30 DHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000421000361 1026911143 /nfs/dbraw/zinc/91/11/43/1026911143.db2.gz DELVJRZTEGZMJW-HUUCEWRRSA-N 1 1 321.490 3.528 20 30 DHEDMO CCCCOc1ncccc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421321906 1026953919 /nfs/dbraw/zinc/95/39/19/1026953919.db2.gz FEHWEDKDNWRFLN-UHFFFAOYSA-N 1 1 313.376 3.561 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(F)c1)c1ccc(Cl)cc1 ZINC000811517342 1027018220 /nfs/dbraw/zinc/01/82/20/1027018220.db2.gz OYSXNLURFYCPHJ-INIZCTEOSA-N 1 1 303.764 3.952 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(F)c1)c1ccc(Cl)cc1 ZINC000811517343 1027018798 /nfs/dbraw/zinc/01/87/98/1027018798.db2.gz OYSXNLURFYCPHJ-MRXNPFEDSA-N 1 1 303.764 3.952 20 30 DHEDMO C[N@@H+]1CC[C@H](NCc2ccc(C#N)s2)C[C@H]1c1ccccc1 ZINC000421891020 1027080090 /nfs/dbraw/zinc/08/00/90/1027080090.db2.gz VSMIEMYVYCORKO-YJBOKZPZSA-N 1 1 311.454 3.545 20 30 DHEDMO C[N@H+]1CC[C@H](NCc2ccc(C#N)s2)C[C@H]1c1ccccc1 ZINC000421891020 1027080097 /nfs/dbraw/zinc/08/00/97/1027080097.db2.gz VSMIEMYVYCORKO-YJBOKZPZSA-N 1 1 311.454 3.545 20 30 DHEDMO COCC[N@H+](Cc1ccc(F)cc1C#N)C[C@H]1CC=CCC1 ZINC000362261432 1027118356 /nfs/dbraw/zinc/11/83/56/1027118356.db2.gz LPDRULUZRHPTOT-HNNXBMFYSA-N 1 1 302.393 3.502 20 30 DHEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000156532603 1027120860 /nfs/dbraw/zinc/12/08/60/1027120860.db2.gz JIUPOHIOCBLHGL-XMCHAPAWSA-N 1 1 324.399 3.814 20 30 DHEDMO CCCC[C@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000572170215 1027179414 /nfs/dbraw/zinc/17/94/14/1027179414.db2.gz IPOQJTNOHLNTOZ-HNNXBMFYSA-N 1 1 310.445 3.969 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000362436811 1027204355 /nfs/dbraw/zinc/20/43/55/1027204355.db2.gz HRZOJPYRJZXIHS-OLZOCXBDSA-N 1 1 319.836 3.661 20 30 DHEDMO CC(C)[N@H+](Cc1cc(C#N)ccc1Br)CC1CC1 ZINC000572578022 1027215099 /nfs/dbraw/zinc/21/50/99/1027215099.db2.gz SGKVPBPOUUCOPQ-UHFFFAOYSA-N 1 1 307.235 3.941 20 30 DHEDMO C=CCCC[N@H+](C)CN1C[C@@H](c2cccc(Cl)c2)CC1=O ZINC000812282994 1027234538 /nfs/dbraw/zinc/23/45/38/1027234538.db2.gz DUAOHVWQSKSJNP-HNNXBMFYSA-N 1 1 306.837 3.511 20 30 DHEDMO C=CCC[C@@H]([NH2+]Cc1nc(-c2ccccn2)no1)c1ccccc1 ZINC000362482696 1027238875 /nfs/dbraw/zinc/23/88/75/1027238875.db2.gz GJGDSYXPCXJKFY-MRXNPFEDSA-N 1 1 320.396 3.929 20 30 DHEDMO COc1cc2c(cc1O)CC[N@@H+](CCCCC1(C#N)CCC1)C2 ZINC000931762117 1027247871 /nfs/dbraw/zinc/24/78/71/1027247871.db2.gz JYKAIKZZQQXXHQ-UHFFFAOYSA-N 1 1 314.429 3.623 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c(F)c1 ZINC000931918491 1027305583 /nfs/dbraw/zinc/30/55/83/1027305583.db2.gz OZTNECLHWQMHIH-ZDUSSCGKSA-N 1 1 316.273 3.564 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c(F)c1 ZINC000931918491 1027305601 /nfs/dbraw/zinc/30/56/01/1027305601.db2.gz OZTNECLHWQMHIH-ZDUSSCGKSA-N 1 1 316.273 3.564 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cnn2ccccc12 ZINC000362651985 1027332602 /nfs/dbraw/zinc/33/26/02/1027332602.db2.gz QWJNTAJYDGPYPR-QUCCMNQESA-N 1 1 316.408 3.606 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cnn2ccccc12 ZINC000362651985 1027332621 /nfs/dbraw/zinc/33/26/21/1027332621.db2.gz QWJNTAJYDGPYPR-QUCCMNQESA-N 1 1 316.408 3.606 20 30 DHEDMO C[N@H+]1CCC[C@@H](CNc2c(C#N)cnc3c(Cl)cccc32)C1 ZINC000573838797 1027332760 /nfs/dbraw/zinc/33/27/60/1027332760.db2.gz CJQCIXMHIXIZDM-LBPRGKRZSA-N 1 1 314.820 3.514 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H](Cc3nccs3)C2)cc1 ZINC000932197844 1027410801 /nfs/dbraw/zinc/41/08/01/1027410801.db2.gz QWUMPTRIBPJGMT-QGZVFWFLSA-N 1 1 311.454 3.512 20 30 DHEDMO C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000932275400 1027439410 /nfs/dbraw/zinc/43/94/10/1027439410.db2.gz PGDYTZQCGRORCF-NEWSRXKRSA-N 1 1 312.457 3.699 20 30 DHEDMO C=CCCCCCCCCC[N@@H+]1CC[C@]2(CCN(C)C2=O)C1 ZINC001275803204 1027460677 /nfs/dbraw/zinc/46/06/77/1027460677.db2.gz DNXCHDCYWVPAEA-LJQANCHMSA-N 1 1 306.494 3.847 20 30 DHEDMO Cc1cc(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)ccc1C#N ZINC000362956740 1027463984 /nfs/dbraw/zinc/46/39/84/1027463984.db2.gz CPSXVLBUQRWVDX-UHFFFAOYSA-N 1 1 316.408 3.684 20 30 DHEDMO Cc1cc(C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)ccc1C#N ZINC000362956740 1027463989 /nfs/dbraw/zinc/46/39/89/1027463989.db2.gz CPSXVLBUQRWVDX-UHFFFAOYSA-N 1 1 316.408 3.684 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H]([NH3+])c1ccccc1 ZINC000423247885 1027476280 /nfs/dbraw/zinc/47/62/80/1027476280.db2.gz LYDJDVZXGWARDX-UXHICEINSA-N 1 1 305.425 3.615 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1OC(=O)CCCC#N ZINC000813095948 1027516923 /nfs/dbraw/zinc/51/69/23/1027516923.db2.gz ABNSOEPWZCGADK-KRWDZBQOSA-N 1 1 314.429 3.524 20 30 DHEDMO CC[N@@H+](Cc1cccc(Br)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000576125295 1027566475 /nfs/dbraw/zinc/56/64/75/1027566475.db2.gz DZARCIWEDMFQTQ-SWLSCSKDSA-N 1 1 307.235 3.963 20 30 DHEDMO C=CC[C@@H](C(=O)N(CC)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000576135288 1027568941 /nfs/dbraw/zinc/56/89/41/1027568941.db2.gz DMFOWHIMJLDLLX-RBUKOAKNSA-N 1 1 314.473 3.679 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc2cncn2c1 ZINC000562738280 1027586827 /nfs/dbraw/zinc/58/68/27/1027586827.db2.gz FMZCJXZGKKZINR-HXUWFJFHSA-N 1 1 316.408 3.763 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]2CCCC2CCCC2)C1=O ZINC001275831381 1027621842 /nfs/dbraw/zinc/62/18/42/1027621842.db2.gz OSLUFIUAYVKDRX-IBGZPJMESA-N 1 1 304.478 3.600 20 30 DHEDMO C=CCOc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000363460734 1027643820 /nfs/dbraw/zinc/64/38/20/1027643820.db2.gz DGAXPGLQUDIGFV-JKSUJKDBSA-N 1 1 320.864 3.621 20 30 DHEDMO N#CCCCC[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000363505161 1027656747 /nfs/dbraw/zinc/65/67/47/1027656747.db2.gz UPUFSHFRXQSCDH-ZDUSSCGKSA-N 1 1 301.365 3.840 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@H+](CCC/C=C\CC)CC2)C1=O ZINC001275842011 1027685316 /nfs/dbraw/zinc/68/53/16/1027685316.db2.gz GRWUBTRIWSVDOO-VOFKWLDRSA-N 1 1 304.478 3.623 20 30 DHEDMO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000448275301 1027716034 /nfs/dbraw/zinc/71/60/34/1027716034.db2.gz IMZSQCFXLCUYFI-RDGPPVDQSA-N 1 1 302.462 3.906 20 30 DHEDMO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000448275301 1027716053 /nfs/dbraw/zinc/71/60/53/1027716053.db2.gz IMZSQCFXLCUYFI-RDGPPVDQSA-N 1 1 302.462 3.906 20 30 DHEDMO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000448275302 1027716607 /nfs/dbraw/zinc/71/66/07/1027716607.db2.gz IMZSQCFXLCUYFI-WJFTUGDTSA-N 1 1 302.462 3.906 20 30 DHEDMO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000448275302 1027716628 /nfs/dbraw/zinc/71/66/28/1027716628.db2.gz IMZSQCFXLCUYFI-WJFTUGDTSA-N 1 1 302.462 3.906 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)CC(=O)NCCC1=CCCCC1 ZINC000933357689 1027721561 /nfs/dbraw/zinc/72/15/61/1027721561.db2.gz MOKPOTOBGZZBDE-UHFFFAOYSA-N 1 1 319.493 3.645 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933468924 1027738643 /nfs/dbraw/zinc/73/86/43/1027738643.db2.gz WYLOLPDUNPXRGN-HNNXBMFYSA-N 1 1 323.481 3.648 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@H+]([C@@H]3CCc4ccc(F)cc43)CCO2)cc1 ZINC000933627396 1027782089 /nfs/dbraw/zinc/78/20/89/1027782089.db2.gz KNYKVXLJVTXKQK-WOJBJXKFSA-N 1 1 322.383 3.758 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@@H+]([C@@H]3CCc4ccc(F)cc43)CCO2)cc1 ZINC000933627396 1027782104 /nfs/dbraw/zinc/78/21/04/1027782104.db2.gz KNYKVXLJVTXKQK-WOJBJXKFSA-N 1 1 322.383 3.758 20 30 DHEDMO C=CCN1c2ccccc2[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1=O ZINC001275899833 1027818881 /nfs/dbraw/zinc/81/88/81/1027818881.db2.gz KCPPLJYFCXQMID-OAQYLSRUSA-N 1 1 324.468 3.743 20 30 DHEDMO CC(C)([NH2+]Cc1cccc(OCCCC#N)c1)c1nccs1 ZINC000116381086 1027822769 /nfs/dbraw/zinc/82/27/69/1027822769.db2.gz MZJDIRAOEFRRCD-UHFFFAOYSA-N 1 1 315.442 3.851 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000297750777 1027850919 /nfs/dbraw/zinc/85/09/19/1027850919.db2.gz OUVWMSZGIFFFPZ-WMZOPIPTSA-N 1 1 314.473 3.616 20 30 DHEDMO Cc1cc(C)c(CS(=O)(=O)CCCCC(C)(C)C#N)c(C)[nH+]1 ZINC000600941872 1027913963 /nfs/dbraw/zinc/91/39/63/1027913963.db2.gz MHYUYRYGFHGDQH-UHFFFAOYSA-N 1 1 322.474 3.642 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCCc2cccnc21 ZINC000365266813 1027916655 /nfs/dbraw/zinc/91/66/55/1027916655.db2.gz MBJFNDHXWBPMST-SFHVURJKSA-N 1 1 309.388 3.992 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cc(F)ccc3O)CC2)cc1 ZINC000779031498 1027936476 /nfs/dbraw/zinc/93/64/76/1027936476.db2.gz XPGLMMWUHKPDOX-UHFFFAOYSA-N 1 1 308.356 3.692 20 30 DHEDMO C=CCSc1ccccc1C(=O)N[C@@H](C)C[N@H+](C)CCCC ZINC000563259787 1027956824 /nfs/dbraw/zinc/95/68/24/1027956824.db2.gz JRDRBHPPFZZHRA-HNNXBMFYSA-N 1 1 320.502 3.815 20 30 DHEDMO C=CCCCCC[N@@H+]1CCC[C@H](c2ccnc(COC)n2)C1 ZINC000365516466 1027960399 /nfs/dbraw/zinc/96/03/99/1027960399.db2.gz RMAIQELQENDOGT-INIZCTEOSA-N 1 1 303.450 3.549 20 30 DHEDMO N#CC1(CCCC[N@H+]2CC[C@@H](Cc3nccs3)C2)CCC1 ZINC000934328415 1027966534 /nfs/dbraw/zinc/96/65/34/1027966534.db2.gz JMZMUJKBXMKKAU-HNNXBMFYSA-N 1 1 303.475 3.872 20 30 DHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@]2(C#N)C[C@H]2C)c1 ZINC000448728530 1028002731 /nfs/dbraw/zinc/00/27/31/1028002731.db2.gz HESQYGPQPZIKAD-KUHUBIRLSA-N 1 1 322.412 3.543 20 30 DHEDMO C=CCCC[N@H+](CC)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000934647554 1028064239 /nfs/dbraw/zinc/06/42/39/1028064239.db2.gz BCDSUKZUBCLVSE-UHFFFAOYSA-N 1 1 305.809 3.777 20 30 DHEDMO CCc1ccc([C@@H]2CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000814642861 1028146082 /nfs/dbraw/zinc/14/60/82/1028146082.db2.gz UEAKAZVDFLVSBU-RTWAWAEBSA-N 1 1 320.436 3.644 20 30 DHEDMO CC1(C)[C@@H]2C[C@H]([N@H+]3CCC[C@H](Oc4ccc(C#N)cc4)C3)C[C@@H]21 ZINC001170767301 1028231988 /nfs/dbraw/zinc/23/19/88/1028231988.db2.gz RICJRNMVCICBHS-KANFNMMFSA-N 1 1 310.441 3.836 20 30 DHEDMO CC(=[NH+]Nc1ccc(Br)cc1C)c1ccc(N)nc1 ZINC000814835820 1028239050 /nfs/dbraw/zinc/23/90/50/1028239050.db2.gz CNPYFSSPFRTZKI-UHFFFAOYSA-N 1 1 319.206 3.571 20 30 DHEDMO C=CCCCCC[N@H+](C)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449028110 1028267103 /nfs/dbraw/zinc/26/71/03/1028267103.db2.gz KRSNAARRNILORT-MRXNPFEDSA-N 1 1 323.502 3.872 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC[C@H](O)c1ccccc1 ZINC000368011278 1028277257 /nfs/dbraw/zinc/27/72/57/1028277257.db2.gz XCQFYJZSJWGAME-HKBOAZHASA-N 1 1 320.436 3.882 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000159856678 1028277642 /nfs/dbraw/zinc/27/76/42/1028277642.db2.gz OCFKZVUFGONLGG-HNNXBMFYSA-N 1 1 310.397 3.618 20 30 DHEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000368021557 1028279100 /nfs/dbraw/zinc/27/91/00/1028279100.db2.gz OELABUKSUIHRTJ-AEFFLSMTSA-N 1 1 322.399 3.571 20 30 DHEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000368021557 1028279114 /nfs/dbraw/zinc/27/91/14/1028279114.db2.gz OELABUKSUIHRTJ-AEFFLSMTSA-N 1 1 322.399 3.571 20 30 DHEDMO COc1ccccc1CO[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814923349 1028284880 /nfs/dbraw/zinc/28/48/80/1028284880.db2.gz FBOLPTQNLRJMHK-ZDUSSCGKSA-N 1 1 308.381 3.919 20 30 DHEDMO Cc1cccnc1N=NC1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000814911482 1028297835 /nfs/dbraw/zinc/29/78/35/1028297835.db2.gz KDDVAGHVHOFSBA-MRXNPFEDSA-N 1 1 308.429 3.842 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC1(c2ccccc2)CC1 ZINC000579013370 1028300649 /nfs/dbraw/zinc/30/06/49/1028300649.db2.gz AGEPIAJFKPAPEH-UHFFFAOYSA-N 1 1 321.380 3.630 20 30 DHEDMO CCOc1ccc(N[NH+]=Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000814984932 1028318061 /nfs/dbraw/zinc/31/80/61/1028318061.db2.gz MPOHUZLQJKZJFH-UHFFFAOYSA-N 1 1 322.412 3.881 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)s1 ZINC000368226459 1028319852 /nfs/dbraw/zinc/31/98/52/1028319852.db2.gz KPKUNNXQMLVBMB-SFHVURJKSA-N 1 1 310.422 3.589 20 30 DHEDMO CC[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000368334487 1028337938 /nfs/dbraw/zinc/33/79/38/1028337938.db2.gz VNXZTCFYJFCEGU-MAUKXSAKSA-N 1 1 309.413 3.746 20 30 DHEDMO CC[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000368334487 1028337955 /nfs/dbraw/zinc/33/79/55/1028337955.db2.gz VNXZTCFYJFCEGU-MAUKXSAKSA-N 1 1 309.413 3.746 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000368391438 1028344727 /nfs/dbraw/zinc/34/47/27/1028344727.db2.gz DXOOJUSTSWPHJX-FQEVSTJZSA-N 1 1 322.383 3.520 20 30 DHEDMO C=CCN1CCC([NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000449120430 1028374242 /nfs/dbraw/zinc/37/42/42/1028374242.db2.gz CXCAOSQRNRXVBY-UHFFFAOYSA-N 1 1 305.274 3.795 20 30 DHEDMO C=CCSCC[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449133637 1028386910 /nfs/dbraw/zinc/38/69/10/1028386910.db2.gz ZDJVUHODBACEAO-KRWDZBQOSA-N 1 1 318.530 3.591 20 30 DHEDMO C=C[C@H](CC)CC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000935794122 1028397226 /nfs/dbraw/zinc/39/72/26/1028397226.db2.gz HYLGTVLQOJFHEI-XLIONFOSSA-N 1 1 314.473 3.617 20 30 DHEDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000579409476 1028404324 /nfs/dbraw/zinc/40/43/24/1028404324.db2.gz SVGHIUKGLHJLNH-HNAYVOBHSA-N 1 1 316.408 3.789 20 30 DHEDMO C#CCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815202429 1028425242 /nfs/dbraw/zinc/42/52/42/1028425242.db2.gz RIKYFGCMSKCMSN-DLBZAZTESA-N 1 1 320.477 3.511 20 30 DHEDMO CC#CCC[N@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815203854 1028427627 /nfs/dbraw/zinc/42/76/27/1028427627.db2.gz ZKFGPPCUJQTNOT-SJORKVTESA-N 1 1 320.477 3.511 20 30 DHEDMO C=CC[C@@H](C(=O)OCC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000778419368 1028428140 /nfs/dbraw/zinc/42/81/40/1028428140.db2.gz RVUKFTVREFOCSL-ZWKOTPCHSA-N 1 1 301.430 3.764 20 30 DHEDMO CC(C)(C#N)CCCCN1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000369001395 1028434450 /nfs/dbraw/zinc/43/44/50/1028434450.db2.gz LPCLBRPMSIKEHQ-GOSISDBHSA-N 1 1 305.510 3.904 20 30 DHEDMO CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000564418954 1028438136 /nfs/dbraw/zinc/43/81/36/1028438136.db2.gz IICUJZDNTVOPLU-XLIONFOSSA-N 1 1 311.473 3.503 20 30 DHEDMO CC(C)C[N@@H+]1CCC[C@H](CN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000564418954 1028438140 /nfs/dbraw/zinc/43/81/40/1028438140.db2.gz IICUJZDNTVOPLU-XLIONFOSSA-N 1 1 311.473 3.503 20 30 DHEDMO CC(C)C[N@H+]1CCC[C@H](CN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000564418954 1028438147 /nfs/dbraw/zinc/43/81/47/1028438147.db2.gz IICUJZDNTVOPLU-XLIONFOSSA-N 1 1 311.473 3.503 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)cc1 ZINC000369089264 1028442453 /nfs/dbraw/zinc/44/24/53/1028442453.db2.gz YRWIVMWRVSYDGY-FQEVSTJZSA-N 1 1 317.367 3.972 20 30 DHEDMO C=CC(C)(C)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000449222618 1028461647 /nfs/dbraw/zinc/46/16/47/1028461647.db2.gz MUYMMIXOEGWLJX-UHFFFAOYSA-N 1 1 307.463 3.670 20 30 DHEDMO C[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)CCC#N)[C@@H]1c1cccs1 ZINC000369671810 1028514847 /nfs/dbraw/zinc/51/48/47/1028514847.db2.gz JQYQOJSWEAQCKV-GOEBONIOSA-N 1 1 305.491 3.660 20 30 DHEDMO CN1CC[C@@H](C[NH2+]CC(C)(C)CCC#N)[C@@H]1c1cccs1 ZINC000369671810 1028514852 /nfs/dbraw/zinc/51/48/52/1028514852.db2.gz JQYQOJSWEAQCKV-GOEBONIOSA-N 1 1 305.491 3.660 20 30 DHEDMO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1CCCC(C)(C)C#N ZINC000370006627 1028551697 /nfs/dbraw/zinc/55/16/97/1028551697.db2.gz DEDGVEJGAJHDGH-GOSISDBHSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CCCC(C)(C)C#N ZINC000370006627 1028551711 /nfs/dbraw/zinc/55/17/11/1028551711.db2.gz DEDGVEJGAJHDGH-GOSISDBHSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CCCC(C)(C)C#N ZINC000370006627 1028551718 /nfs/dbraw/zinc/55/17/18/1028551718.db2.gz DEDGVEJGAJHDGH-GOSISDBHSA-N 1 1 313.489 3.913 20 30 DHEDMO CN(Cc1ccc(C#N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110055 1028559001 /nfs/dbraw/zinc/55/90/01/1028559001.db2.gz WXGIKKBVDQORMY-OAQYLSRUSA-N 1 1 319.452 3.512 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@@]2(C)Cc2cccc(F)c2)cc1C#N ZINC000565364866 1028578063 /nfs/dbraw/zinc/57/80/63/1028578063.db2.gz OGPSJKSDBLEEHB-IBGZPJMESA-N 1 1 311.404 3.633 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000370488772 1028607811 /nfs/dbraw/zinc/60/78/11/1028607811.db2.gz SKPZGMJPNQQWCW-AZUAARDMSA-N 1 1 310.441 3.738 20 30 DHEDMO C[C@@H]1C[C@@H](c2cccs2)C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000370566786 1028619042 /nfs/dbraw/zinc/61/90/42/1028619042.db2.gz ZFXPBJXQFSKPGY-XYPHTWIQSA-N 1 1 312.438 3.531 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)CC2)c(F)c1 ZINC000370628481 1028626633 /nfs/dbraw/zinc/62/66/33/1028626633.db2.gz WETDAYHJKWWMBW-FQEVSTJZSA-N 1 1 324.399 3.571 20 30 DHEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CCc2ccc(C#N)cc21 ZINC000565978508 1028661908 /nfs/dbraw/zinc/66/19/08/1028661908.db2.gz RJGWWSVIMMAHHA-ASKKUZCQSA-N 1 1 311.473 3.502 20 30 DHEDMO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000565978508 1028661913 /nfs/dbraw/zinc/66/19/13/1028661913.db2.gz RJGWWSVIMMAHHA-ASKKUZCQSA-N 1 1 311.473 3.502 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000566301482 1028698735 /nfs/dbraw/zinc/69/87/35/1028698735.db2.gz MHNXCBRHEBJDFU-QGZVFWFLSA-N 1 1 321.380 3.531 20 30 DHEDMO COc1ccc(O)c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000371471150 1028719974 /nfs/dbraw/zinc/71/99/74/1028719974.db2.gz RLIMXFRGVNRJKW-UHFFFAOYSA-N 1 1 320.392 3.562 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CCCc2ccccc2)nc1 ZINC000566922532 1028805353 /nfs/dbraw/zinc/80/53/53/1028805353.db2.gz NWBALTMFQHHECQ-HXUWFJFHSA-N 1 1 305.425 3.941 20 30 DHEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)[C@@H](CO)CC(C)(C)C ZINC000449585074 1028829999 /nfs/dbraw/zinc/82/99/99/1028829999.db2.gz KRUMHZVODUXMMR-QGZVFWFLSA-N 1 1 318.461 3.598 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000449735365 1028955994 /nfs/dbraw/zinc/95/59/94/1028955994.db2.gz QMLRIAPOIXOHLV-KXBFYZLASA-N 1 1 323.415 3.622 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000449735365 1028956013 /nfs/dbraw/zinc/95/60/13/1028956013.db2.gz QMLRIAPOIXOHLV-KXBFYZLASA-N 1 1 323.415 3.622 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000816622155 1028967634 /nfs/dbraw/zinc/96/76/34/1028967634.db2.gz YFLMWTRWJMFCCD-KXBFYZLASA-N 1 1 321.424 3.956 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000816622155 1028967649 /nfs/dbraw/zinc/96/76/49/1028967649.db2.gz YFLMWTRWJMFCCD-KXBFYZLASA-N 1 1 321.424 3.956 20 30 DHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc2n[nH]cc21 ZINC000628273112 1028980168 /nfs/dbraw/zinc/98/01/68/1028980168.db2.gz JBUDQTPYYDEJSR-UHFFFAOYSA-N 1 1 323.444 3.919 20 30 DHEDMO CN(C)c1ccc(C[N@H+](C)CC(C)(C)C#N)c(C(F)(F)F)c1 ZINC000816632362 1028986244 /nfs/dbraw/zinc/98/62/44/1028986244.db2.gz FOPZPSNAKFWHFF-UHFFFAOYSA-N 1 1 313.367 3.753 20 30 DHEDMO CN(C)c1ccc(C[N@@H+](C)CC(C)(C)C#N)c(C(F)(F)F)c1 ZINC000816632362 1028986261 /nfs/dbraw/zinc/98/62/61/1028986261.db2.gz FOPZPSNAKFWHFF-UHFFFAOYSA-N 1 1 313.367 3.753 20 30 DHEDMO C[C@@H](OC(=O)C(C)(C)[N@@H+](C)C1CCCC1)c1cccc(C#N)c1 ZINC000778630450 1029027182 /nfs/dbraw/zinc/02/71/82/1029027182.db2.gz BLHVGIFBHGYLKE-CQSZACIVSA-N 1 1 314.429 3.815 20 30 DHEDMO C[C@H](OC(=O)C(C)(C)[N@@H+](C)C1CCCC1)c1cccc(C#N)c1 ZINC000778630449 1029027428 /nfs/dbraw/zinc/02/74/28/1029027428.db2.gz BLHVGIFBHGYLKE-AWEZNQCLSA-N 1 1 314.429 3.815 20 30 DHEDMO N#CCC1CC[NH+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000568460831 1029073119 /nfs/dbraw/zinc/07/31/19/1029073119.db2.gz WHMSXTJJHQFNEO-UHFFFAOYSA-N 1 1 314.820 3.651 20 30 DHEDMO C[N@@H+](CCC1(C#N)CCCCC1)[C@H](CCO)c1ccccc1 ZINC000411294617 1029089350 /nfs/dbraw/zinc/08/93/50/1029089350.db2.gz NGDACSJTQQANLP-GOSISDBHSA-N 1 1 300.446 3.906 20 30 DHEDMO CCCCCCCCCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000779331128 1029094981 /nfs/dbraw/zinc/09/49/81/1029094981.db2.gz SJRSCFSUBNVTJR-ZWKOTPCHSA-N 1 1 323.525 3.863 20 30 DHEDMO CC1(C)[C@H](c2ccccc2)CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000817297888 1029119502 /nfs/dbraw/zinc/11/95/02/1029119502.db2.gz XGGDBQFVWWSPSZ-PMACEKPBSA-N 1 1 320.436 3.860 20 30 DHEDMO Cc1[nH+]ccn1CCCC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000817318455 1029124800 /nfs/dbraw/zinc/12/48/00/1029124800.db2.gz AIXSVZYBPXTLDQ-GOSISDBHSA-N 1 1 324.428 3.523 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cc(C)nc(C)c1 ZINC000817411828 1029153479 /nfs/dbraw/zinc/15/34/79/1029153479.db2.gz WPARALVNCIHZNZ-UHFFFAOYSA-N 1 1 314.816 3.654 20 30 DHEDMO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)C2CCCCC2)c1C#N ZINC000569141678 1029184227 /nfs/dbraw/zinc/18/42/27/1029184227.db2.gz OQWKORFQPYTZFE-AWEZNQCLSA-N 1 1 314.429 3.745 20 30 DHEDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCC1(C#N)CCCCC1 ZINC000411715451 1029188356 /nfs/dbraw/zinc/18/83/56/1029188356.db2.gz BYFDRZXWTUTUGK-UHFFFAOYSA-N 1 1 315.417 3.933 20 30 DHEDMO CC#CC[N@@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000411771746 1029206084 /nfs/dbraw/zinc/20/60/84/1029206084.db2.gz OXWQXHJMSGJLLT-UHFFFAOYSA-N 1 1 306.409 3.637 20 30 DHEDMO C[C@H]([N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1)C(C)(C)O ZINC000411792239 1029210416 /nfs/dbraw/zinc/21/04/16/1029210416.db2.gz QKXPCKBZPNFCBC-HNNXBMFYSA-N 1 1 308.425 3.816 20 30 DHEDMO N#CC1(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)CCCCC1 ZINC000411801961 1029213677 /nfs/dbraw/zinc/21/36/77/1029213677.db2.gz UVRZWSFFDWITLP-RCCFBDPRSA-N 1 1 304.478 3.866 20 30 DHEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000412040912 1029302391 /nfs/dbraw/zinc/30/23/91/1029302391.db2.gz LAJXLNQLODFREF-CQSZACIVSA-N 1 1 308.429 3.579 20 30 DHEDMO C#CC[N@@H+](CCCc1nc(-c2ccccc2)no1)C1CCCC1 ZINC000155891349 1029329276 /nfs/dbraw/zinc/32/92/76/1029329276.db2.gz UQSULMCSSSNSRK-UHFFFAOYSA-N 1 1 309.413 3.547 20 30 DHEDMO CCOc1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC000570314052 1029349484 /nfs/dbraw/zinc/34/94/84/1029349484.db2.gz GDMFMTUIBAQVGL-UHFFFAOYSA-N 1 1 324.424 3.606 20 30 DHEDMO COc1ccc2c(c1)CCC[N@H+](Cc1ccc(C#N)c(C)c1)C2 ZINC000570500367 1029374344 /nfs/dbraw/zinc/37/43/44/1029374344.db2.gz KUBMMRSABFOXJN-UHFFFAOYSA-N 1 1 306.409 3.824 20 30 DHEDMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000818347168 1029378022 /nfs/dbraw/zinc/37/80/22/1029378022.db2.gz NFMXCYANTICFQP-MJVIPROJSA-N 1 1 315.335 3.653 20 30 DHEDMO C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1CCCCC#N ZINC000347352890 1029433360 /nfs/dbraw/zinc/43/33/60/1029433360.db2.gz ONHZFLMEYJNKBR-GFCCVEGCSA-N 1 1 307.235 3.890 20 30 DHEDMO C=CC(C)(C)C(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000450382341 1029435613 /nfs/dbraw/zinc/43/56/13/1029435613.db2.gz WELOEIBDUPQJOD-UHFFFAOYSA-N 1 1 306.494 3.559 20 30 DHEDMO N#Cc1c(Cl)cccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000450385441 1029441551 /nfs/dbraw/zinc/44/15/51/1029441551.db2.gz CGDKTQGIFQVGRK-SUMWQHHRSA-N 1 1 315.848 3.665 20 30 DHEDMO COc1ccc2c(c1)OCC[N@H+](CCCCC(C)(C)C#N)C2 ZINC000374782238 1029459222 /nfs/dbraw/zinc/45/92/22/1029459222.db2.gz XHYCZYHIGVFOFS-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000374812197 1029464579 /nfs/dbraw/zinc/46/45/79/1029464579.db2.gz ZYGRNFXPBQNBGN-HXUWFJFHSA-N 1 1 320.436 3.927 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N[C@H](CCC)c1ccccc1 ZINC000302740909 1029476530 /nfs/dbraw/zinc/47/65/30/1029476530.db2.gz KKTCEBBJBPTRFT-FUHWJXTLSA-N 1 1 302.462 3.931 20 30 DHEDMO C[C@H](N=NC1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000819814910 1029613278 /nfs/dbraw/zinc/61/32/78/1029613278.db2.gz IAZMDEWISDAUPA-IRXDYDNUSA-N 1 1 322.456 3.630 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451004441 1029763048 /nfs/dbraw/zinc/76/30/48/1029763048.db2.gz NMPMYLUVAIIXCF-HNNXBMFYSA-N 1 1 311.816 3.986 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451004441 1029763051 /nfs/dbraw/zinc/76/30/51/1029763051.db2.gz NMPMYLUVAIIXCF-HNNXBMFYSA-N 1 1 311.816 3.986 20 30 DHEDMO CC(C)C[C@]1(C)CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000451289500 1029838895 /nfs/dbraw/zinc/83/88/95/1029838895.db2.gz JVMZAGYCWUHIDD-KRWDZBQOSA-N 1 1 319.474 3.849 20 30 DHEDMO COc1ccc([C@H]2C[C@H](C)C[N@H+]2CCCSCC#N)cc1 ZINC000121853611 1029866229 /nfs/dbraw/zinc/86/62/29/1029866229.db2.gz DIKHZQUXTUBABK-WMLDXEAASA-N 1 1 304.459 3.725 20 30 DHEDMO C#C[C@@H](Nc1cc(C)[nH+]c(C)n1)c1ccc(Br)cc1 ZINC001458402614 1029956771 /nfs/dbraw/zinc/95/67/71/1029956771.db2.gz RYJYVPPVJAUIMG-CQSZACIVSA-N 1 1 316.202 3.642 20 30 DHEDMO C[C@@H](O)C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000530699311 1029975769 /nfs/dbraw/zinc/97/57/69/1029975769.db2.gz QEMRDJNFQZGERC-MRXNPFEDSA-N 1 1 313.828 3.575 20 30 DHEDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C12CCC2 ZINC000451852639 1030029126 /nfs/dbraw/zinc/02/91/26/1030029126.db2.gz OCPKTTABVIGKSE-QZTJIDSGSA-N 1 1 312.457 3.877 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC001168133453 1030038584 /nfs/dbraw/zinc/03/85/84/1030038584.db2.gz BZRJDCHYJYMEFF-MRXNPFEDSA-N 1 1 308.425 3.944 20 30 DHEDMO N#CC1(c2ccc(C[NH2+]Cc3noc4cc(F)ccc43)cc2)CC1 ZINC000865836438 1030053108 /nfs/dbraw/zinc/05/31/08/1030053108.db2.gz GCRXRLBYZGPPHH-UHFFFAOYSA-N 1 1 321.355 3.812 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)c(Cl)c1 ZINC000451978024 1030080324 /nfs/dbraw/zinc/08/03/24/1030080324.db2.gz OBJXTXLVLYHTAR-INIZCTEOSA-N 1 1 306.862 3.931 20 30 DHEDMO CC(C)[N@H+](C)C[C@H](C)Nc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000357566448 1030108328 /nfs/dbraw/zinc/10/83/28/1030108328.db2.gz MDFUPFUMZFTPDY-NSHDSACASA-N 1 1 318.371 3.525 20 30 DHEDMO CC(C)(C)C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000452083887 1030122871 /nfs/dbraw/zinc/12/28/71/1030122871.db2.gz UORISIQXIVJIQF-HNNXBMFYSA-N 1 1 324.428 3.866 20 30 DHEDMO C[C@@H](C#N)C[N@H+](CCc1cccc(OC(F)(F)F)c1)C1CC1 ZINC000533137735 1030154147 /nfs/dbraw/zinc/15/41/47/1030154147.db2.gz AMPGSRNAUSZRSM-LBPRGKRZSA-N 1 1 312.335 3.752 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](CCc1cccc(OC(F)(F)F)c1)C1CC1 ZINC000533137735 1030154154 /nfs/dbraw/zinc/15/41/54/1030154154.db2.gz AMPGSRNAUSZRSM-LBPRGKRZSA-N 1 1 312.335 3.752 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CSCc2ccccc21)c1cccc(C#N)c1O ZINC000866250034 1030180713 /nfs/dbraw/zinc/18/07/13/1030180713.db2.gz SKHKPICBZURWEA-YVEFUNNKSA-N 1 1 310.422 3.903 20 30 DHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)C12CCC2 ZINC000357801924 1030198634 /nfs/dbraw/zinc/19/86/34/1030198634.db2.gz KWPHXZGUCIWGNE-MOPGFXCFSA-N 1 1 323.440 3.590 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(C)cc1 ZINC000533250769 1030222890 /nfs/dbraw/zinc/22/28/90/1030222890.db2.gz OMJFWJFKTRVJEN-UHFFFAOYSA-N 1 1 321.424 3.717 20 30 DHEDMO Cc1cccc([C@@H](c2noc([C@H]([NH3+])CCCC#N)n2)C(C)C)c1 ZINC000823209844 1030229143 /nfs/dbraw/zinc/22/91/43/1030229143.db2.gz JPOSNCZMWXBZJX-CVEARBPZSA-N 1 1 312.417 3.860 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1CC ZINC000533287309 1030246123 /nfs/dbraw/zinc/24/61/23/1030246123.db2.gz WZTJJECCCJEHFZ-CQSZACIVSA-N 1 1 304.459 3.778 20 30 DHEDMO CC(F)(F)c1cccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)c1 ZINC000823281793 1030255523 /nfs/dbraw/zinc/25/55/23/1030255523.db2.gz XRYRZXUYSXLLPE-LBPRGKRZSA-N 1 1 306.316 3.542 20 30 DHEDMO C=CCCC[N@H+](C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000533297883 1030258849 /nfs/dbraw/zinc/25/88/49/1030258849.db2.gz KPIGIGSTQXLAND-UHFFFAOYSA-N 1 1 313.420 3.898 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000533301045 1030261133 /nfs/dbraw/zinc/26/11/33/1030261133.db2.gz CUVNGILSLRPWLA-KRWDZBQOSA-N 1 1 302.462 3.710 20 30 DHEDMO C=CCC(CC=C)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246111411 1030309727 /nfs/dbraw/zinc/30/97/27/1030309727.db2.gz PSQDNLDDVJPYJB-QZTJIDSGSA-N 1 1 318.505 3.868 20 30 DHEDMO C=CCC[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]2CCCC[C@@H]21 ZINC000533368226 1030310139 /nfs/dbraw/zinc/31/01/39/1030310139.db2.gz WIUPPAIGWSZEJM-ZBRFXRBCSA-N 1 1 306.494 3.746 20 30 DHEDMO Cc1cc(F)ccc1[C@H](O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000823619130 1030341772 /nfs/dbraw/zinc/34/17/72/1030341772.db2.gz XYBUYAUDPLRGCP-IFXJQAMLSA-N 1 1 312.388 3.732 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000823617928 1030342417 /nfs/dbraw/zinc/34/24/17/1030342417.db2.gz NTJZPCZXAIOOOR-FZKQIMNGSA-N 1 1 314.816 3.938 20 30 DHEDMO C#CCOc1ccccc1C[NH2+][C@H]1CCc2c1nccc2Cl ZINC000925420145 1030358339 /nfs/dbraw/zinc/35/83/39/1030358339.db2.gz IONAEPXTPPULCX-INIZCTEOSA-N 1 1 312.800 3.524 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000358290444 1030423533 /nfs/dbraw/zinc/42/35/33/1030423533.db2.gz RGFNFUFESZEFCR-CYBMUJFWSA-N 1 1 322.334 3.673 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(Br)cc1SC ZINC000358291318 1030424909 /nfs/dbraw/zinc/42/49/09/1030424909.db2.gz SRHPTXCJNYYGNW-LBPRGKRZSA-N 1 1 313.264 3.953 20 30 DHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000358384091 1030464770 /nfs/dbraw/zinc/46/47/70/1030464770.db2.gz LKGPNEABPPAXIN-HXUWFJFHSA-N 1 1 323.440 3.709 20 30 DHEDMO C#CC[N@H+](Cc1ccnc2c(Br)cccc12)C1CC1 ZINC000824172571 1030492512 /nfs/dbraw/zinc/49/25/12/1030492512.db2.gz QBAPCSBQVYQPAG-UHFFFAOYSA-N 1 1 315.214 3.595 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)nc1 ZINC000558246438 1030495884 /nfs/dbraw/zinc/49/58/84/1030495884.db2.gz PAVCQSRICBCDAM-FQEVSTJZSA-N 1 1 317.367 3.972 20 30 DHEDMO COc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1OC ZINC000358562493 1030536902 /nfs/dbraw/zinc/53/69/02/1030536902.db2.gz GWUPPZMTWAWQIU-LBPRGKRZSA-N 1 1 314.360 3.565 20 30 DHEDMO C[C@H]1CC(N=Nc2cccc(F)n2)CC[N@H+]1Cc1ccccc1 ZINC000795008915 1030568219 /nfs/dbraw/zinc/56/82/19/1030568219.db2.gz STXYJDOKNDSSLJ-AWEZNQCLSA-N 1 1 312.392 3.673 20 30 DHEDMO CC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCOC(C)(C)C1 ZINC000558469695 1030590685 /nfs/dbraw/zinc/59/06/85/1030590685.db2.gz DMOAVXZUVACHHL-KRWDZBQOSA-N 1 1 305.849 3.971 20 30 DHEDMO N#CCCOCC[N@H+]1CCCCC[C@H]1/C=C/c1cccs1 ZINC000339081275 1030602261 /nfs/dbraw/zinc/60/22/61/1030602261.db2.gz KXQDSBDGLCZDOZ-FDMDGMSGSA-N 1 1 304.459 3.936 20 30 DHEDMO C#CC[N@@H+](Cc1cnc2c(C)cccn12)[C@@H]1CCc2ccccc21 ZINC001136964398 1030674490 /nfs/dbraw/zinc/67/44/90/1030674490.db2.gz NRAVPEHWSLSTSA-HXUWFJFHSA-N 1 1 315.420 3.765 20 30 DHEDMO C#CC[N@H+](Cc1cnc2c(C)cccn12)[C@@H]1CCc2ccccc21 ZINC001136964398 1030674495 /nfs/dbraw/zinc/67/44/95/1030674495.db2.gz NRAVPEHWSLSTSA-HXUWFJFHSA-N 1 1 315.420 3.765 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cn2c(n1)CCCC2 ZINC000926369122 1030715002 /nfs/dbraw/zinc/71/50/02/1030715002.db2.gz BDSDXMAWYQIRFL-LBPRGKRZSA-N 1 1 314.820 3.595 20 30 DHEDMO C#CC[N@@H+](Cc1cnc(OC)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001137006590 1030753515 /nfs/dbraw/zinc/75/35/15/1030753515.db2.gz XXZMYTIPOKZGOW-LJQANCHMSA-N 1 1 306.409 3.521 20 30 DHEDMO C#CC[N@H+](Cc1cnc(OC)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001137006590 1030753533 /nfs/dbraw/zinc/75/35/33/1030753533.db2.gz XXZMYTIPOKZGOW-LJQANCHMSA-N 1 1 306.409 3.521 20 30 DHEDMO C#Cc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000825226571 1030753580 /nfs/dbraw/zinc/75/35/80/1030753580.db2.gz KFNVKTUXVWVDAR-XMSQKQJNSA-N 1 1 318.464 3.668 20 30 DHEDMO C#Cc1cccc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000825226571 1030753595 /nfs/dbraw/zinc/75/35/95/1030753595.db2.gz KFNVKTUXVWVDAR-XMSQKQJNSA-N 1 1 318.464 3.668 20 30 DHEDMO C#Cc1cccc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000825226571 1030753611 /nfs/dbraw/zinc/75/36/11/1030753611.db2.gz KFNVKTUXVWVDAR-XMSQKQJNSA-N 1 1 318.464 3.668 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCCCC#N ZINC000249475283 1030796680 /nfs/dbraw/zinc/79/66/80/1030796680.db2.gz VIFLXGGSXLEZRP-OAGGEKHMSA-N 1 1 306.450 3.655 20 30 DHEDMO CC[C@H]([NH2+]Cc1cc(COC)cs1)c1cccc(C#N)c1O ZINC000926705399 1030875791 /nfs/dbraw/zinc/87/57/91/1030875791.db2.gz USHKCAJJBIVESL-INIZCTEOSA-N 1 1 316.426 3.713 20 30 DHEDMO Cc1ccc(C#N)c(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000359512285 1030999673 /nfs/dbraw/zinc/99/96/73/1030999673.db2.gz ZJGJWXCLQLYNIX-QAPCUYQASA-N 1 1 306.413 3.509 20 30 DHEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C)cc1 ZINC001275655610 1031007062 /nfs/dbraw/zinc/00/70/62/1031007062.db2.gz OYOXJAFHFNCYGU-FQEVSTJZSA-N 1 1 312.457 3.528 20 30 DHEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)[C@H]1CCCc2ccc(F)cc21 ZINC000844365092 1031091737 /nfs/dbraw/zinc/09/17/37/1031091737.db2.gz AJFQCOZCCNVXCD-VQTJNVASSA-N 1 1 324.399 3.740 20 30 DHEDMO C=CCCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000359787071 1031137458 /nfs/dbraw/zinc/13/74/58/1031137458.db2.gz CHMRIEBMLLYXJD-AEFFLSMTSA-N 1 1 312.457 3.512 20 30 DHEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CCC1 ZINC000359849354 1031164121 /nfs/dbraw/zinc/16/41/21/1031164121.db2.gz YZSVLCMIHMLLFV-SJLPKXTDSA-N 1 1 312.457 3.512 20 30 DHEDMO C=CC[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001144029013 1031183878 /nfs/dbraw/zinc/18/38/78/1031183878.db2.gz OVRMAHLDVLAWSK-FUHWJXTLSA-N 1 1 314.473 3.616 20 30 DHEDMO C=CC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001144026012 1031183979 /nfs/dbraw/zinc/18/39/79/1031183979.db2.gz CVTXGBACSBPNNI-OWYHZJEWSA-N 1 1 312.457 3.510 20 30 DHEDMO Cc1c(O)cccc1C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001144120415 1031257934 /nfs/dbraw/zinc/25/79/34/1031257934.db2.gz LFBQRLHYLXNFCU-IBGZPJMESA-N 1 1 322.408 3.616 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccccc1CC ZINC000272306356 1031271780 /nfs/dbraw/zinc/27/17/80/1031271780.db2.gz QPUKCQVQYWFUMM-UHFFFAOYSA-N 1 1 312.413 3.511 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccccc1CC ZINC000272306356 1031271793 /nfs/dbraw/zinc/27/17/93/1031271793.db2.gz QPUKCQVQYWFUMM-UHFFFAOYSA-N 1 1 312.413 3.511 20 30 DHEDMO COC(=O)c1cccc(C[N@@H+]2CCC[C@@H]2c2ccccc2)c1C#N ZINC000533776602 1031284117 /nfs/dbraw/zinc/28/41/17/1031284117.db2.gz HFSZJIMKCHFJKB-LJQANCHMSA-N 1 1 320.392 3.682 20 30 DHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2c2ccccc2)c1C#N ZINC000533776602 1031284123 /nfs/dbraw/zinc/28/41/23/1031284123.db2.gz HFSZJIMKCHFJKB-LJQANCHMSA-N 1 1 320.392 3.682 20 30 DHEDMO C[Si](C)(C)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC001144163088 1031298059 /nfs/dbraw/zinc/29/80/59/1031298059.db2.gz LRLZFPAYBMIJEV-UHFFFAOYSA-N 1 1 309.489 3.833 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3c(F)cccc3C2)cc1 ZINC000123795542 1031310867 /nfs/dbraw/zinc/31/08/67/1031310867.db2.gz PXOHLCWEXGPJOG-AWEZNQCLSA-N 1 1 310.372 3.675 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3c(F)cccc3C2)cc1 ZINC000123795542 1031310883 /nfs/dbraw/zinc/31/08/83/1031310883.db2.gz PXOHLCWEXGPJOG-AWEZNQCLSA-N 1 1 310.372 3.675 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCc3c(F)cccc3C2)cc1 ZINC000123804900 1031332980 /nfs/dbraw/zinc/33/29/80/1031332980.db2.gz BDUFOKAHCDWUED-UHFFFAOYSA-N 1 1 323.415 3.734 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCc3nc[nH]c3C2)cc1 ZINC000929073794 1031426144 /nfs/dbraw/zinc/42/61/44/1031426144.db2.gz NLZBCYREDLLQFL-UHFFFAOYSA-N 1 1 314.392 3.507 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCc3nc[nH]c3C2)cc1 ZINC000929073794 1031426159 /nfs/dbraw/zinc/42/61/59/1031426159.db2.gz NLZBCYREDLLQFL-UHFFFAOYSA-N 1 1 314.392 3.507 20 30 DHEDMO C[N@H+](Cc1ccccc1)CC(C)(C)NCC#Cc1ccccc1 ZINC000379663127 1031430435 /nfs/dbraw/zinc/43/04/35/1031430435.db2.gz KHSLSIGZMPWKJM-UHFFFAOYSA-N 1 1 306.453 3.538 20 30 DHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCC#Cc1ccccc1 ZINC000379663127 1031430440 /nfs/dbraw/zinc/43/04/40/1031430440.db2.gz KHSLSIGZMPWKJM-UHFFFAOYSA-N 1 1 306.453 3.538 20 30 DHEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CCCSCC#N)c1 ZINC000360465944 1031439119 /nfs/dbraw/zinc/43/91/19/1031439119.db2.gz HVODJXKMAJSZNU-PBHICJAKSA-N 1 1 304.459 3.725 20 30 DHEDMO C[C@@H]1CCCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000360630698 1031497651 /nfs/dbraw/zinc/49/76/51/1031497651.db2.gz WCJWPJBINJQLCP-CYBMUJFWSA-N 1 1 319.836 3.662 20 30 DHEDMO C=CC[N@H+](CCCc1cccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC000929364593 1031503837 /nfs/dbraw/zinc/50/38/37/1031503837.db2.gz DHBKEDHMRCYAJK-UHFFFAOYSA-N 1 1 311.385 3.611 20 30 DHEDMO C[C@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@H](O)CC#N ZINC000929402101 1031515600 /nfs/dbraw/zinc/51/56/00/1031515600.db2.gz MWTXPCHYWRGLNY-GDBMZVCRSA-N 1 1 300.427 3.586 20 30 DHEDMO [NH2+]=C(Nc1ccnc2ccncc21)c1ccc2cc(O)ccc2c1 ZINC001171176591 1031546955 /nfs/dbraw/zinc/54/69/55/1031546955.db2.gz RYQRBHYAQNEMST-UHFFFAOYSA-N 1 1 314.348 3.526 20 30 DHEDMO CCC(CC)[C@H](C[NH2+]Cc1ccc(C#N)s1)N1CCCC1 ZINC000537245776 1031548049 /nfs/dbraw/zinc/54/80/49/1031548049.db2.gz JYWCRIZPUJBNJV-KRWDZBQOSA-N 1 1 305.491 3.610 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cccc(OCCC)c2)no1 ZINC000872175976 1031549915 /nfs/dbraw/zinc/54/99/15/1031549915.db2.gz MPPLJYICGORQJD-ZDUSSCGKSA-N 1 1 307.781 3.668 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cccc(C(C)(F)F)c2)no1 ZINC000872184758 1031554041 /nfs/dbraw/zinc/55/40/41/1031554041.db2.gz YIVZRKIRYNAJKH-NSHDSACASA-N 1 1 313.735 3.991 20 30 DHEDMO CN1C[C@@H]2C[N@H+](CC(C)(C)CCC#N)C[C@H]2[C@H]1c1ccccc1 ZINC000360790283 1031563286 /nfs/dbraw/zinc/56/32/86/1031563286.db2.gz DJWHGYRADHKFPC-GUDVDZBRSA-N 1 1 311.473 3.551 20 30 DHEDMO CN1C[C@@H]2C[N@@H+](CC(C)(C)CCC#N)C[C@H]2[C@H]1c1ccccc1 ZINC000360790283 1031563296 /nfs/dbraw/zinc/56/32/96/1031563296.db2.gz DJWHGYRADHKFPC-GUDVDZBRSA-N 1 1 311.473 3.551 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000929710995 1031585411 /nfs/dbraw/zinc/58/54/11/1031585411.db2.gz NSVSIVYIANBNEH-UHFFFAOYSA-N 1 1 304.821 3.604 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CC(N2CCCCC2)C1 ZINC000360872099 1031596848 /nfs/dbraw/zinc/59/68/48/1031596848.db2.gz LVHGTTPEGUZZFQ-GRERDSQWSA-N 1 1 323.484 3.932 20 30 DHEDMO Cc1cc(C)nc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000929757352 1031600140 /nfs/dbraw/zinc/60/01/40/1031600140.db2.gz PXQWIZYPDFDORY-PMACEKPBSA-N 1 1 305.425 3.970 20 30 DHEDMO Cc1cc(C)nc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000929757352 1031600144 /nfs/dbraw/zinc/60/01/44/1031600144.db2.gz PXQWIZYPDFDORY-PMACEKPBSA-N 1 1 305.425 3.970 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2c(C)cc(C#N)cc2C)cc1O ZINC000929821931 1031618418 /nfs/dbraw/zinc/61/84/18/1031618418.db2.gz SJYMNUXWEUQUIG-UHFFFAOYSA-N 1 1 310.397 3.521 20 30 DHEDMO CC(C)n1ccn(C[N@H+](C)CCc2cccc(C#N)c2)c1=S ZINC000872706067 1031646570 /nfs/dbraw/zinc/64/65/70/1031646570.db2.gz PQOFRJSINNWPGT-UHFFFAOYSA-N 1 1 314.458 3.604 20 30 DHEDMO CC(C)n1ccn(C[N@@H+](C)CCc2cccc(C#N)c2)c1=S ZINC000872706067 1031646581 /nfs/dbraw/zinc/64/65/81/1031646581.db2.gz PQOFRJSINNWPGT-UHFFFAOYSA-N 1 1 314.458 3.604 20 30 DHEDMO C[C@@H]1CC[C@@H](C)N1[C@@H]1CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929966535 1031664182 /nfs/dbraw/zinc/66/41/82/1031664182.db2.gz YAESTVXPHXYXGS-XBBDAYDNSA-N 1 1 303.494 3.654 20 30 DHEDMO C[C@@H]1CC[C@@H](C)N1[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929966535 1031664198 /nfs/dbraw/zinc/66/41/98/1031664198.db2.gz YAESTVXPHXYXGS-XBBDAYDNSA-N 1 1 303.494 3.654 20 30 DHEDMO N#CC1(CCCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000930060780 1031687869 /nfs/dbraw/zinc/68/78/69/1031687869.db2.gz LQJIPGVZZRCYHJ-PKOBYXMFSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CCC1 ZINC000930060780 1031687895 /nfs/dbraw/zinc/68/78/95/1031687895.db2.gz LQJIPGVZZRCYHJ-PKOBYXMFSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CCCC[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CCC1 ZINC000930060780 1031687910 /nfs/dbraw/zinc/68/79/10/1031687910.db2.gz LQJIPGVZZRCYHJ-PKOBYXMFSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CCCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000930060780 1031687919 /nfs/dbraw/zinc/68/79/19/1031687919.db2.gz LQJIPGVZZRCYHJ-PKOBYXMFSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CCCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000930060780 1031687927 /nfs/dbraw/zinc/68/79/27/1031687927.db2.gz LQJIPGVZZRCYHJ-PKOBYXMFSA-N 1 1 315.505 3.799 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C(C)(C)C)[C@@H]1CC[C@@H](C#N)C1 ZINC000561030795 1031688832 /nfs/dbraw/zinc/68/88/32/1031688832.db2.gz HHFZRKYFNRHXRY-HZPDHXFCSA-N 1 1 300.446 3.987 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](CCCCC3(C#N)CCC3)CCO2)c1 ZINC000930134276 1031709142 /nfs/dbraw/zinc/70/91/42/1031709142.db2.gz GGLWARPQNRLKIY-IBGZPJMESA-N 1 1 323.440 3.796 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](CCCCC3(C#N)CCC3)CCO2)c1 ZINC000930134276 1031709149 /nfs/dbraw/zinc/70/91/49/1031709149.db2.gz GGLWARPQNRLKIY-IBGZPJMESA-N 1 1 323.440 3.796 20 30 DHEDMO C[C@H](c1ccc(F)nc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000930157522 1031717719 /nfs/dbraw/zinc/71/77/19/1031717719.db2.gz FNVGVJNDEBKGSG-CQSZACIVSA-N 1 1 307.372 3.943 20 30 DHEDMO C[C@H](c1ccc(F)nc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000930157522 1031717730 /nfs/dbraw/zinc/71/77/30/1031717730.db2.gz FNVGVJNDEBKGSG-CQSZACIVSA-N 1 1 307.372 3.943 20 30 DHEDMO CCc1onc(C)c1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000930159052 1031718189 /nfs/dbraw/zinc/71/81/89/1031718189.db2.gz QQRABLZQOCKSEG-UHFFFAOYSA-N 1 1 307.397 3.706 20 30 DHEDMO C#Cc1ccc(C[N@H+](Cc2ccccc2)[C@@H](C)CC(=O)OC)cc1 ZINC001144578546 1031718437 /nfs/dbraw/zinc/71/84/37/1031718437.db2.gz GNFFSUPFKGFSKD-KRWDZBQOSA-N 1 1 321.420 3.622 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)cc1 ZINC001144573467 1031720941 /nfs/dbraw/zinc/72/09/41/1031720941.db2.gz LBRDPSQKDRFZBC-QGZVFWFLSA-N 1 1 313.347 3.599 20 30 DHEDMO Cc1cc(C2CC[NH+](Cc3cc(Cl)cc(C#N)c3)CC2)n[nH]1 ZINC000930175787 1031721549 /nfs/dbraw/zinc/72/15/49/1031721549.db2.gz VOKMPSDWLYKPBO-UHFFFAOYSA-N 1 1 314.820 3.623 20 30 DHEDMO C=CCCn1cc(C[NH2+]Cc2ccc(C(C)(C)C)s2)nn1 ZINC000873154432 1031728572 /nfs/dbraw/zinc/72/85/72/1031728572.db2.gz WSJPLAXYIWNBFS-UHFFFAOYSA-N 1 1 304.463 3.503 20 30 DHEDMO CCn1ccnc1[C@H]1CCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000930308529 1031777100 /nfs/dbraw/zinc/77/71/00/1031777100.db2.gz QRUHKQNPIMKKGV-OFLPRAFFSA-N 1 1 300.450 3.760 20 30 DHEDMO CSCc1cnc(C[NH2+][C@H](C)c2ccc(C#N)cc2)s1 ZINC000294089681 1031792940 /nfs/dbraw/zinc/79/29/40/1031792940.db2.gz LUTPLSIWHJUDBS-LLVKDONJSA-N 1 1 303.456 3.729 20 30 DHEDMO CC[C@@H](C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000846008836 1031804955 /nfs/dbraw/zinc/80/49/55/1031804955.db2.gz YEIPIWTYFLOFKN-FXAWDEMLSA-N 1 1 308.425 3.717 20 30 DHEDMO C=C(C)C[N@H+](CCCc1cccnc1)Cc1cnn(C(C)C)c1 ZINC000930461246 1031829862 /nfs/dbraw/zinc/82/98/62/1031829862.db2.gz OXLLVNYAGXUTMP-UHFFFAOYSA-N 1 1 312.461 3.870 20 30 DHEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(NC(=N)c2nccs2)cc1 ZINC001168284511 1031848301 /nfs/dbraw/zinc/84/83/01/1031848301.db2.gz XXAYFAOUEXQXDG-HNNXBMFYSA-N 1 1 312.442 3.503 20 30 DHEDMO N#CC1(CCCC[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CCC1 ZINC000930521039 1031856561 /nfs/dbraw/zinc/85/65/61/1031856561.db2.gz HSZMRPOUKIPHFK-IRXDYDNUSA-N 1 1 302.462 3.884 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1OC ZINC000846108336 1031859925 /nfs/dbraw/zinc/85/99/25/1031859925.db2.gz PFNKSXQDUCXKLM-KRWDZBQOSA-N 1 1 323.383 3.881 20 30 DHEDMO CC(C)C[N@@H+](CCCCC1(C#N)CCC1)Cc1cnn(C)c1 ZINC000930687016 1031915848 /nfs/dbraw/zinc/91/58/48/1031915848.db2.gz PCORHZGCRLFOQR-UHFFFAOYSA-N 1 1 302.466 3.742 20 30 DHEDMO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCC(C)(C)C1 ZINC000361470901 1031938866 /nfs/dbraw/zinc/93/88/66/1031938866.db2.gz PSCHKPBSMLFNCO-OAHLLOKOSA-N 1 1 310.401 3.619 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001171221028 1031959226 /nfs/dbraw/zinc/95/92/26/1031959226.db2.gz HJDDCTDFPMKVKZ-DYESRHJHSA-N 1 1 320.436 3.780 20 30 DHEDMO Cc1ccccc1O[C@@H]1CC[N@H+]([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171221367 1031960014 /nfs/dbraw/zinc/96/00/14/1031960014.db2.gz LQNLBFRPEVPKMH-FXAWDEMLSA-N 1 1 320.436 3.951 20 30 DHEDMO COc1ccc([C@H]2CC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)cc1 ZINC001171229371 1031994781 /nfs/dbraw/zinc/99/47/81/1031994781.db2.gz MVPIQDKFUXIMPB-JXFKEZNVSA-N 1 1 320.436 3.987 20 30 DHEDMO CCCCN1CCC([N@H+](C)[C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171232406 1032019410 /nfs/dbraw/zinc/01/94/10/1032019410.db2.gz RIZGTLLEDVZYGD-KRWDZBQOSA-N 1 1 313.489 3.686 20 30 DHEDMO CCCCN1CCC([N@@H+](C)[C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171232406 1032019421 /nfs/dbraw/zinc/01/94/21/1032019421.db2.gz RIZGTLLEDVZYGD-KRWDZBQOSA-N 1 1 313.489 3.686 20 30 DHEDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC001137120603 1033314696 /nfs/dbraw/zinc/31/46/96/1033314696.db2.gz VXSAJJYFIJZVNM-OAHLLOKOSA-N 1 1 310.397 3.791 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000877498307 1033324354 /nfs/dbraw/zinc/32/43/54/1033324354.db2.gz BEVZKYGEBHSOGY-HZPDHXFCSA-N 1 1 323.481 3.553 20 30 DHEDMO CC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc(OCC#N)cc1 ZINC001137122849 1033365846 /nfs/dbraw/zinc/36/58/46/1033365846.db2.gz VUBMMNHRTPAVLW-UHFFFAOYSA-N 1 1 324.424 3.662 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nc(Cl)cs1 ZINC000877594186 1033373038 /nfs/dbraw/zinc/37/30/38/1033373038.db2.gz OPWZLJQWUWEAOO-ZDUSSCGKSA-N 1 1 303.818 3.835 20 30 DHEDMO N#CCC[N@@H+](CCOc1c(Cl)cccc1Cl)CC1CC1 ZINC000478031467 1033398803 /nfs/dbraw/zinc/39/88/03/1033398803.db2.gz ZZJOEQLBCRTKJZ-UHFFFAOYSA-N 1 1 313.228 3.998 20 30 DHEDMO N#CCC[N@H+](CCOc1c(Cl)cccc1Cl)CC1CC1 ZINC000478031467 1033398814 /nfs/dbraw/zinc/39/88/14/1033398814.db2.gz ZZJOEQLBCRTKJZ-UHFFFAOYSA-N 1 1 313.228 3.998 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172800670 1033404293 /nfs/dbraw/zinc/40/42/93/1033404293.db2.gz ZSDOZVNZTPLICX-MSOLQXFVSA-N 1 1 301.430 3.797 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)cc1 ZINC000877812157 1033462229 /nfs/dbraw/zinc/46/22/29/1033462229.db2.gz IGZUYCPZCXUXKU-WFASDCNBSA-N 1 1 312.335 3.752 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+](C)Cc1cccc(F)c1)c1ccccc1 ZINC000877933243 1033520233 /nfs/dbraw/zinc/52/02/33/1033520233.db2.gz QAWJKRRNFHUBOO-HXUWFJFHSA-N 1 1 324.399 3.698 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1cccc(F)c1)c1ccccc1 ZINC000877933243 1033520244 /nfs/dbraw/zinc/52/02/44/1033520244.db2.gz QAWJKRRNFHUBOO-HXUWFJFHSA-N 1 1 324.399 3.698 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173196559 1033587803 /nfs/dbraw/zinc/58/78/03/1033587803.db2.gz NQKXDJAIGRPLNF-LBPRGKRZSA-N 1 1 310.369 3.572 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCCC(C)(C)CC1)c1ccccc1 ZINC000878132436 1033592496 /nfs/dbraw/zinc/59/24/96/1033592496.db2.gz VFIWPVMWLHMJBF-HXUWFJFHSA-N 1 1 312.457 3.939 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC2(CCCC2)C1)c1ccccc1 ZINC000878149450 1033596597 /nfs/dbraw/zinc/59/65/97/1033596597.db2.gz OWEDIOOPUFVMOX-FQEVSTJZSA-N 1 1 310.441 3.693 20 30 DHEDMO CC[C@@]1(C)CCC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878147638 1033597222 /nfs/dbraw/zinc/59/72/22/1033597222.db2.gz HNBRAABEXOUIGW-VQTJNVASSA-N 1 1 312.457 3.939 20 30 DHEDMO CC[C@]1(C)CCC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878147637 1033597705 /nfs/dbraw/zinc/59/77/05/1033597705.db2.gz HNBRAABEXOUIGW-UXHICEINSA-N 1 1 312.457 3.939 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](CC[C@H]3CCCC3(F)F)CCO2)c1 ZINC000878322485 1033657559 /nfs/dbraw/zinc/65/75/59/1033657559.db2.gz JRJPHABMMVQZLS-IAGOWNOFSA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)CCO2)c1 ZINC000878322485 1033657563 /nfs/dbraw/zinc/65/75/63/1033657563.db2.gz JRJPHABMMVQZLS-IAGOWNOFSA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3C[C@H]4CCC[C@@H]4O3)CC2)cc1 ZINC000878334032 1033661649 /nfs/dbraw/zinc/66/16/49/1033661649.db2.gz MEJPRWCFCLKSNE-AABGKKOBSA-N 1 1 308.425 3.605 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](CC)C1)[C@@H]2CC ZINC001173281779 1033671779 /nfs/dbraw/zinc/67/17/79/1033671779.db2.gz ZEKUXQKGOQYUEI-MLYOOKFZSA-N 1 1 318.505 3.987 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)CC1 ZINC001173326947 1033688740 /nfs/dbraw/zinc/68/87/40/1033688740.db2.gz WVLFULQZBWXLNP-NUVZVAJJSA-N 1 1 320.521 3.839 20 30 DHEDMO C=CCOC1CCC([N@@H+]2CCCC[C@H]2C[C@@H]2CCCN2C)CC1 ZINC001173326947 1033688746 /nfs/dbraw/zinc/68/87/46/1033688746.db2.gz WVLFULQZBWXLNP-NUVZVAJJSA-N 1 1 320.521 3.839 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](c3ccccn3)C2)CC1 ZINC001173327181 1033689062 /nfs/dbraw/zinc/68/90/62/1033689062.db2.gz IKGMGVOYYPHVOL-WWDZGPRUSA-N 1 1 300.446 3.775 20 30 DHEDMO COc1cc(C[N@@H+](C)C2CCC(CC#N)CC2)cc(OC)c1 ZINC001173335801 1033690716 /nfs/dbraw/zinc/69/07/16/1033690716.db2.gz YYOURJDOBJIBCR-UHFFFAOYSA-N 1 1 302.418 3.608 20 30 DHEDMO N#CCC1CCC([N@@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001173335764 1033691685 /nfs/dbraw/zinc/69/16/85/1033691685.db2.gz XPHVDUFFOMOWHG-JLAWEPINSA-N 1 1 303.494 3.799 20 30 DHEDMO N#CCC1CCC([N@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001173335764 1033691693 /nfs/dbraw/zinc/69/16/93/1033691693.db2.gz XPHVDUFFOMOWHG-JLAWEPINSA-N 1 1 303.494 3.799 20 30 DHEDMO N#CCC1CCC([N@H+]2CCc3nn(-c4ccccc4)cc3C2)CC1 ZINC001173337867 1033694376 /nfs/dbraw/zinc/69/43/76/1033694376.db2.gz UUXADFQWIKZSDO-UHFFFAOYSA-N 1 1 320.440 3.703 20 30 DHEDMO N#CCC1CCC([N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2)CC1 ZINC001173340887 1033697673 /nfs/dbraw/zinc/69/76/73/1033697673.db2.gz MYGBZUXDFVYHHJ-VJFUWPCTSA-N 1 1 311.429 3.562 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@](CF)(C(F)(F)F)C2)CC1 ZINC001173320100 1033715860 /nfs/dbraw/zinc/71/58/60/1033715860.db2.gz ALQAVPDUEKUWLE-JXQTWKCFSA-N 1 1 309.347 3.724 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC001173319993 1033716754 /nfs/dbraw/zinc/71/67/54/1033716754.db2.gz DEJRATNNFIJNDW-TVPLGVNVSA-N 1 1 301.430 3.654 20 30 DHEDMO C#CCCCCC[N@@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000878619320 1033771727 /nfs/dbraw/zinc/77/17/27/1033771727.db2.gz WLYFHFQSUFGMST-OAHLLOKOSA-N 1 1 300.450 3.506 20 30 DHEDMO C#CCCCCC[N@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000878619320 1033771740 /nfs/dbraw/zinc/77/17/40/1033771740.db2.gz WLYFHFQSUFGMST-OAHLLOKOSA-N 1 1 300.450 3.506 20 30 DHEDMO C=C1CC=C(F)C=C1[NH2+]C1CCC2(C[C@H]2C(=O)OCC)CC1 ZINC001173604087 1033791082 /nfs/dbraw/zinc/79/10/82/1033791082.db2.gz LAAKFROIYJLGHM-CSLYMUCUSA-N 1 1 305.393 3.785 20 30 DHEDMO CCOC(=O)C[C@H]1CC[C@H]([N@@H+](CCC#N)Cc2ccccc2)C1 ZINC001173635530 1033802735 /nfs/dbraw/zinc/80/27/35/1033802735.db2.gz AWRRDQMWHJOVQO-ROUUACIJSA-N 1 1 314.429 3.524 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@H](C2CCCC2)C1)c1ccccc1 ZINC000878719714 1033808525 /nfs/dbraw/zinc/80/85/25/1033808525.db2.gz AXQVJDDFLUEKLV-CTNGQTDRSA-N 1 1 324.468 3.939 20 30 DHEDMO C#C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)cc1F ZINC000862365279 1033830824 /nfs/dbraw/zinc/83/08/24/1033830824.db2.gz OJKQPPNNCMDXON-BBRMVZONSA-N 1 1 308.828 3.616 20 30 DHEDMO C=CC[C@H]([NH2+]C1CCC2(CCc3ccccc32)CC1)C(=O)OC ZINC001173690225 1033836115 /nfs/dbraw/zinc/83/61/15/1033836115.db2.gz YPYWXGDJLMFBBV-IPCDKGFNSA-N 1 1 313.441 3.521 20 30 DHEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CCC1 ZINC000479628799 1033837241 /nfs/dbraw/zinc/83/72/41/1033837241.db2.gz YMYHVEXWADPBJR-WMZOPIPTSA-N 1 1 312.457 3.685 20 30 DHEDMO C[N@H+](CCC#N)[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702478 1033838148 /nfs/dbraw/zinc/83/81/48/1033838148.db2.gz DTBFVDQQBGCJEY-FQEVSTJZSA-N 1 1 320.436 3.968 20 30 DHEDMO C[N@@H+](CCC#N)[C@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702478 1033838160 /nfs/dbraw/zinc/83/81/60/1033838160.db2.gz DTBFVDQQBGCJEY-FQEVSTJZSA-N 1 1 320.436 3.968 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000862443349 1033856114 /nfs/dbraw/zinc/85/61/14/1033856114.db2.gz ONOAATVWRVTBAH-CYBMUJFWSA-N 1 1 316.836 3.511 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000862446819 1033859538 /nfs/dbraw/zinc/85/95/38/1033859538.db2.gz FUQIIVDCSFUZPZ-OAHLLOKOSA-N 1 1 310.372 3.858 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000862445544 1033859838 /nfs/dbraw/zinc/85/98/38/1033859838.db2.gz WTVMGWSHQPAOAD-AWEZNQCLSA-N 1 1 310.353 3.700 20 30 DHEDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)cc1F ZINC000878937095 1033871689 /nfs/dbraw/zinc/87/16/89/1033871689.db2.gz OPFJOMWFSBFMOH-MRXNPFEDSA-N 1 1 300.333 3.636 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)o2)cc1F ZINC000878937095 1033871696 /nfs/dbraw/zinc/87/16/96/1033871696.db2.gz OPFJOMWFSBFMOH-MRXNPFEDSA-N 1 1 300.333 3.636 20 30 DHEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878954670 1033878466 /nfs/dbraw/zinc/87/84/66/1033878466.db2.gz ZORGQYWWGHOEDA-YVWKXTFCSA-N 1 1 312.457 3.938 20 30 DHEDMO COC[C@@H](C)[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCc2ccccc21 ZINC000879064689 1033910610 /nfs/dbraw/zinc/91/06/10/1033910610.db2.gz MISKLKIKHINXAP-KUHUBIRLSA-N 1 1 310.397 3.676 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)o2)cc1 ZINC000173480256 1033941594 /nfs/dbraw/zinc/94/15/94/1033941594.db2.gz YSDHMOOFQIOGON-WBVHZDCISA-N 1 1 322.412 3.763 20 30 DHEDMO Nc1ccccc1C(NO)=[NH+]c1cccc(-c2ccccc2)c1 ZINC001173912595 1033943575 /nfs/dbraw/zinc/94/35/75/1033943575.db2.gz ZRJVBLZZXJIQIA-UHFFFAOYSA-N 1 1 303.365 3.993 20 30 DHEDMO N#CCCOCC[N@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC000339047416 1033955046 /nfs/dbraw/zinc/95/50/46/1033955046.db2.gz NHYBAQIIKJRZJU-LJQANCHMSA-N 1 1 300.446 3.652 20 30 DHEDMO Cc1cc(F)ccc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001173966232 1033986490 /nfs/dbraw/zinc/98/64/90/1033986490.db2.gz ZBOGWKRFZCUXHS-UHFFFAOYSA-N 1 1 301.390 3.799 20 30 DHEDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1cccc(OCCCC#N)c1)C2 ZINC000898422389 1034007346 /nfs/dbraw/zinc/00/73/46/1034007346.db2.gz KJJXQRFIPDBVAP-AEFFLSMTSA-N 1 1 316.470 3.554 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cccnc1C(F)(F)F ZINC000879432658 1034015657 /nfs/dbraw/zinc/01/56/57/1034015657.db2.gz NIAJGBNJIWVESV-UHFFFAOYSA-N 1 1 319.330 3.647 20 30 DHEDMO COc1ccc([C@@H]2C[N@@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC000879636216 1034068759 /nfs/dbraw/zinc/06/87/59/1034068759.db2.gz KBDBHKWRDKOEDG-YWZLYKJASA-N 1 1 322.408 3.701 20 30 DHEDMO COc1ccc([C@@H]2C[N@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC000879636216 1034068771 /nfs/dbraw/zinc/06/87/71/1034068771.db2.gz KBDBHKWRDKOEDG-YWZLYKJASA-N 1 1 322.408 3.701 20 30 DHEDMO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000879750966 1034112705 /nfs/dbraw/zinc/11/27/05/1034112705.db2.gz BVBPMMVDUJAPRF-KRWDZBQOSA-N 1 1 322.368 3.507 20 30 DHEDMO Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000879750966 1034112714 /nfs/dbraw/zinc/11/27/14/1034112714.db2.gz BVBPMMVDUJAPRF-KRWDZBQOSA-N 1 1 322.368 3.507 20 30 DHEDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)n1 ZINC000880012577 1034183893 /nfs/dbraw/zinc/18/38/93/1034183893.db2.gz UYDLYXGMPMZNGO-AWEZNQCLSA-N 1 1 317.845 3.966 20 30 DHEDMO C[C@H](C#N)OCC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000794565882 1034200303 /nfs/dbraw/zinc/20/03/03/1034200303.db2.gz DOWSLFAWCSARHD-CRAIPNDOSA-N 1 1 324.428 3.532 20 30 DHEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000794565882 1034200308 /nfs/dbraw/zinc/20/03/08/1034200308.db2.gz DOWSLFAWCSARHD-CRAIPNDOSA-N 1 1 324.428 3.532 20 30 DHEDMO CC(=O)c1cccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000626130892 1034235300 /nfs/dbraw/zinc/23/53/00/1034235300.db2.gz ITKPAFTZNXYXKY-UHFFFAOYSA-N 1 1 304.393 3.514 20 30 DHEDMO CC(=O)c1cccc(C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000626130892 1034235315 /nfs/dbraw/zinc/23/53/15/1034235315.db2.gz ITKPAFTZNXYXKY-UHFFFAOYSA-N 1 1 304.393 3.514 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC000880320125 1034294201 /nfs/dbraw/zinc/29/42/01/1034294201.db2.gz PFNMHUNNXPMSQQ-CQSZACIVSA-N 1 1 302.830 3.638 20 30 DHEDMO CC[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1nccs1 ZINC000119863471 1034294063 /nfs/dbraw/zinc/29/40/63/1034294063.db2.gz ZDEDQCRBSQPCDK-DOMZBBRYSA-N 1 1 301.415 3.675 20 30 DHEDMO C[C@@H]1c2sccc2CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000880377340 1034311611 /nfs/dbraw/zinc/31/16/11/1034311611.db2.gz STEYSTINOUNYSU-LLVKDONJSA-N 1 1 313.382 3.647 20 30 DHEDMO C[C@@H]1c2sccc2CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000880377340 1034311623 /nfs/dbraw/zinc/31/16/23/1034311623.db2.gz STEYSTINOUNYSU-LLVKDONJSA-N 1 1 313.382 3.647 20 30 DHEDMO C[C@H]1c2sccc2CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000880375991 1034311827 /nfs/dbraw/zinc/31/18/27/1034311827.db2.gz BUWMTPMCMFMNDP-AWEZNQCLSA-N 1 1 304.459 3.768 20 30 DHEDMO COc1ccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)c(C#N)c1 ZINC001174397118 1034326894 /nfs/dbraw/zinc/32/68/94/1034326894.db2.gz OQWAWILTYOTSMJ-UHFFFAOYSA-N 1 1 319.408 3.769 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c2cccnc12 ZINC000042123130 1034343074 /nfs/dbraw/zinc/34/30/74/1034343074.db2.gz UAZWRMMCYNQLOF-UHFFFAOYSA-N 1 1 305.356 3.878 20 30 DHEDMO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183194743 1034359828 /nfs/dbraw/zinc/35/98/28/1034359828.db2.gz MJHMJZXQVUUCMM-FRQCXROJSA-N 1 1 311.473 3.862 20 30 DHEDMO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183194743 1034359842 /nfs/dbraw/zinc/35/98/42/1034359842.db2.gz MJHMJZXQVUUCMM-FRQCXROJSA-N 1 1 311.473 3.862 20 30 DHEDMO C=C(C)[C@H](N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000480660096 1034372173 /nfs/dbraw/zinc/37/21/73/1034372173.db2.gz OHJBISFFLNUFLX-IGNZVWTISA-N 1 1 306.400 3.654 20 30 DHEDMO C=C(C)[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000480660096 1034372184 /nfs/dbraw/zinc/37/21/84/1034372184.db2.gz OHJBISFFLNUFLX-IGNZVWTISA-N 1 1 306.400 3.654 20 30 DHEDMO C[C@@H]([NH2+][C@@H](C)CN1CCCCCC1)c1ccc(C#N)cc1F ZINC000480695359 1034406309 /nfs/dbraw/zinc/40/63/09/1034406309.db2.gz JGVRGAMUKRVELO-LSDHHAIUSA-N 1 1 303.425 3.612 20 30 DHEDMO Cc1csc(C[N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)c1 ZINC001137158218 1034417648 /nfs/dbraw/zinc/41/76/48/1034417648.db2.gz IMWCAGFCSKNVEQ-QGZVFWFLSA-N 1 1 312.438 3.972 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2coc(C#N)c2)cc1 ZINC000864899171 1034468620 /nfs/dbraw/zinc/46/86/20/1034468620.db2.gz FMKLQDUQJNATDI-CQSZACIVSA-N 1 1 323.396 3.778 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cccc4[nH]ccc43)sc2C1 ZINC001174644524 1034523842 /nfs/dbraw/zinc/52/38/42/1034523842.db2.gz GJJOHHHYVYCLCZ-UHFFFAOYSA-N 1 1 308.410 3.833 20 30 DHEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3coc(C#N)c3)c2C1 ZINC000865146797 1034536608 /nfs/dbraw/zinc/53/66/08/1034536608.db2.gz OVWZPWPGIOWGRN-UHFFFAOYSA-N 1 1 323.396 3.765 20 30 DHEDMO COCC[C@H]1CCCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000481183198 1034637277 /nfs/dbraw/zinc/63/72/77/1034637277.db2.gz QUIOZJZJVWUOGW-CQSZACIVSA-N 1 1 306.837 3.850 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000481204880 1034660238 /nfs/dbraw/zinc/66/02/38/1034660238.db2.gz AYNORDMESJBIRG-HXUWFJFHSA-N 1 1 322.452 3.595 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000481214345 1034665326 /nfs/dbraw/zinc/66/53/26/1034665326.db2.gz UYXNSGVKBXWQMA-JKSUJKDBSA-N 1 1 310.441 3.913 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(OC)cc2Br)C1 ZINC001174891573 1034665367 /nfs/dbraw/zinc/66/53/67/1034665367.db2.gz TYUQHYWYQAPPSI-LBPRGKRZSA-N 1 1 310.235 3.856 20 30 DHEDMO C=C(C)C[N@@H+](C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000481272372 1034706859 /nfs/dbraw/zinc/70/68/59/1034706859.db2.gz VHGGUOKGHVURON-LJQANCHMSA-N 1 1 311.425 3.601 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001174992813 1034720932 /nfs/dbraw/zinc/72/09/32/1034720932.db2.gz BANPKFWHNOCXIW-CZAAIQMYSA-N 1 1 317.436 3.578 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001174992813 1034720943 /nfs/dbraw/zinc/72/09/43/1034720943.db2.gz BANPKFWHNOCXIW-CZAAIQMYSA-N 1 1 317.436 3.578 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001174992813 1034720956 /nfs/dbraw/zinc/72/09/56/1034720956.db2.gz BANPKFWHNOCXIW-CZAAIQMYSA-N 1 1 317.436 3.578 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)NCCC(C)C)c1ccc(F)c(F)c1 ZINC000481594414 1034894728 /nfs/dbraw/zinc/89/47/28/1034894728.db2.gz GJUKPWZSKVUNNO-GUYCJALGSA-N 1 1 324.415 3.722 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1ccnc(OC)c1)c1ccc(F)c(F)c1 ZINC000481606528 1034902116 /nfs/dbraw/zinc/90/21/16/1034902116.db2.gz HBJYXQASNNQMEE-QGZVFWFLSA-N 1 1 304.340 3.775 20 30 DHEDMO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000481721156 1034952387 /nfs/dbraw/zinc/95/23/87/1034952387.db2.gz HTKFYLOFMSZWKA-GXFFZTMASA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000481721156 1034952392 /nfs/dbraw/zinc/95/23/92/1034952392.db2.gz HTKFYLOFMSZWKA-GXFFZTMASA-N 1 1 300.299 3.860 20 30 DHEDMO CC1(C)C[C@@H](O)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001175412228 1034973310 /nfs/dbraw/zinc/97/33/10/1034973310.db2.gz ZAESXXHTNULCRB-LJQANCHMSA-N 1 1 320.436 3.818 20 30 DHEDMO N#Cc1cccc(F)c1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175505809 1035016044 /nfs/dbraw/zinc/01/60/44/1035016044.db2.gz SHYXWXXSSSZNMD-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO N#CCc1ccccc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175507476 1035018485 /nfs/dbraw/zinc/01/84/85/1035018485.db2.gz WNZWCPZPXMKLTH-UHFFFAOYSA-N 1 1 303.409 3.954 20 30 DHEDMO C=CCCCCC[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159784563 1035088601 /nfs/dbraw/zinc/08/86/01/1035088601.db2.gz NMAADVFYRGQGOO-UHFFFAOYSA-N 1 1 308.510 3.949 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159771567 1035089038 /nfs/dbraw/zinc/08/90/38/1035089038.db2.gz CUYMHQODWKPXPE-UHFFFAOYSA-N 1 1 321.509 3.533 20 30 DHEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCC#N)cc1 ZINC000346738671 1035109688 /nfs/dbraw/zinc/10/96/88/1035109688.db2.gz IEXPBVXPUNQQMU-UHFFFAOYSA-N 1 1 316.408 3.851 20 30 DHEDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000482590569 1035142001 /nfs/dbraw/zinc/14/20/01/1035142001.db2.gz IAGJHAXIKQTHQK-QGZVFWFLSA-N 1 1 300.402 3.922 20 30 DHEDMO Cc1cc(C#N)c(Nc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC001175856473 1035144765 /nfs/dbraw/zinc/14/47/65/1035144765.db2.gz DYNBBBGWANCBAY-UHFFFAOYSA-N 1 1 313.426 3.504 20 30 DHEDMO C=CCCC[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001176187355 1035214941 /nfs/dbraw/zinc/21/49/41/1035214941.db2.gz CKPJIQDGNMRCEL-SJLPKXTDSA-N 1 1 300.446 3.542 20 30 DHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483255657 1035247443 /nfs/dbraw/zinc/24/74/43/1035247443.db2.gz BLRXRBWFXHLUPL-GOEBONIOSA-N 1 1 313.445 3.643 20 30 DHEDMO Cn1cc(C[N@H+]2CC[C@@](C)(CCc3ccccc3)C2)cc1C#N ZINC000483256332 1035247766 /nfs/dbraw/zinc/24/77/66/1035247766.db2.gz CMOGJTOKCPMUOC-HXUWFJFHSA-N 1 1 307.441 3.742 20 30 DHEDMO C[N@H+](CCOc1ccccc1C(C)(C)C)C[C@H](C#N)CCC#N ZINC000483315916 1035253430 /nfs/dbraw/zinc/25/34/30/1035253430.db2.gz LQLFWPWXARGDAB-INIZCTEOSA-N 1 1 313.445 3.738 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C(C)(C)C)C[C@H](C#N)CCC#N ZINC000483315916 1035253433 /nfs/dbraw/zinc/25/34/33/1035253433.db2.gz LQLFWPWXARGDAB-INIZCTEOSA-N 1 1 313.445 3.738 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000483423566 1035268426 /nfs/dbraw/zinc/26/84/26/1035268426.db2.gz ZUXPEIQBPVRPRW-UHFFFAOYSA-N 1 1 307.743 3.993 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@@H+]2CC#Cc2ccccc2)c(OC)c1 ZINC000483514264 1035276200 /nfs/dbraw/zinc/27/62/00/1035276200.db2.gz REAQDGJQRGODAW-FQEVSTJZSA-N 1 1 321.420 3.892 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2CC#Cc2ccccc2)c(OC)c1 ZINC000483514264 1035276204 /nfs/dbraw/zinc/27/62/04/1035276204.db2.gz REAQDGJQRGODAW-FQEVSTJZSA-N 1 1 321.420 3.892 20 30 DHEDMO O=[N+]([O-])c1cccc(C[N@H+](CC#Cc2ccccc2)C2CC2)c1 ZINC000483961604 1035311104 /nfs/dbraw/zinc/31/11/04/1035311104.db2.gz VNNMRLTVBQCSEY-UHFFFAOYSA-N 1 1 306.365 3.611 20 30 DHEDMO O=[N+]([O-])c1cccc(C[N@@H+](CC#Cc2ccccc2)C2CC2)c1 ZINC000483961604 1035311106 /nfs/dbraw/zinc/31/11/06/1035311106.db2.gz VNNMRLTVBQCSEY-UHFFFAOYSA-N 1 1 306.365 3.611 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1F ZINC000483966307 1035312464 /nfs/dbraw/zinc/31/24/64/1035312464.db2.gz SZQHEMARWQRITG-INIZCTEOSA-N 1 1 312.363 3.901 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000484062675 1035318393 /nfs/dbraw/zinc/31/83/93/1035318393.db2.gz DEFDNIIUSRXJRO-IBGZPJMESA-N 1 1 315.420 3.552 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001176813908 1035331621 /nfs/dbraw/zinc/33/16/21/1035331621.db2.gz IAYBVCKFPZQKSR-CVEARBPZSA-N 1 1 308.466 3.674 20 30 DHEDMO CC[N@@H+](CCC(C)(C)C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176933842 1035337282 /nfs/dbraw/zinc/33/72/82/1035337282.db2.gz ZYIHIUYVSCAYAG-UHFFFAOYSA-N 1 1 323.481 3.648 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)CC2)cc1 ZINC001176939575 1035338317 /nfs/dbraw/zinc/33/83/17/1035338317.db2.gz LFWBWYUVQSKKPL-HXUWFJFHSA-N 1 1 306.409 3.716 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CNCc1cc(F)ccc1F)C(C)C ZINC001177221792 1035356896 /nfs/dbraw/zinc/35/68/96/1035356896.db2.gz BEPHUCZPIQTRNQ-SFHVURJKSA-N 1 1 308.416 3.753 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1c(F)cccc1F)CC1CCCCC1 ZINC000484630661 1035382043 /nfs/dbraw/zinc/38/20/43/1035382043.db2.gz PFSWONICIOHVTH-UHFFFAOYSA-N 1 1 322.399 3.972 20 30 DHEDMO C=CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccco1)c1ccccc1 ZINC001177628854 1035384885 /nfs/dbraw/zinc/38/48/85/1035384885.db2.gz KXBFGNUNKDVYOO-MOPGFXCFSA-N 1 1 324.424 3.678 20 30 DHEDMO C=CC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccco1)c1ccccc1 ZINC001177628854 1035384887 /nfs/dbraw/zinc/38/48/87/1035384887.db2.gz KXBFGNUNKDVYOO-MOPGFXCFSA-N 1 1 324.424 3.678 20 30 DHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2cccnc2OC)no1 ZINC000904562782 1035429178 /nfs/dbraw/zinc/42/91/78/1035429178.db2.gz BQIHGVNRESXHKC-CQSZACIVSA-N 1 1 318.421 3.891 20 30 DHEDMO CCCCCCCC[C@H]([NH3+])c1nc(Cc2cc(C)on2)no1 ZINC000904607922 1035435328 /nfs/dbraw/zinc/43/53/28/1035435328.db2.gz WJKKIGWQVXCCSX-AWEZNQCLSA-N 1 1 306.410 3.707 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(C2(c3ccccc3OC)CC2)no1 ZINC000904722604 1035444565 /nfs/dbraw/zinc/44/45/65/1035444565.db2.gz BEPWXCLLGSIYQN-AWEZNQCLSA-N 1 1 313.401 3.514 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(C(C)(C)c2cccc(F)c2)no1 ZINC000904696376 1035445173 /nfs/dbraw/zinc/44/51/73/1035445173.db2.gz UYMFBGNTAACDCC-CQSZACIVSA-N 1 1 303.381 3.891 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc([C@H]2CSc3ccccc3O2)no1 ZINC000904710177 1035445939 /nfs/dbraw/zinc/44/59/39/1035445939.db2.gz ZURWMTNFPOOKHJ-WCQYABFASA-N 1 1 317.414 3.652 20 30 DHEDMO C=C[C@](C)(CC)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000189875191 1035578041 /nfs/dbraw/zinc/57/80/41/1035578041.db2.gz JHDLYTZMERCLSC-DOTOQJQBSA-N 1 1 308.853 3.661 20 30 DHEDMO C=C[C@H](CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000535360031 1035589762 /nfs/dbraw/zinc/58/97/62/1035589762.db2.gz NLTXOCXKFSYIQG-KZNAEPCWSA-N 1 1 314.473 3.725 20 30 DHEDMO COCc1c(C)cc(C)c(C[N@H+](C[C@H](C)C#N)C2CC2)c1C ZINC001180136797 1035594799 /nfs/dbraw/zinc/59/47/99/1035594799.db2.gz MTECTPXCRGNFPF-CYBMUJFWSA-N 1 1 300.446 3.882 20 30 DHEDMO COCc1c(C)cc(C)c(C[N@@H+](C[C@H](C)C#N)C2CC2)c1C ZINC001180136797 1035594801 /nfs/dbraw/zinc/59/48/01/1035594801.db2.gz MTECTPXCRGNFPF-CYBMUJFWSA-N 1 1 300.446 3.882 20 30 DHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCCC34CCCCC4)o2)c1 ZINC000535383326 1035603618 /nfs/dbraw/zinc/60/36/18/1035603618.db2.gz UYFMLURTMOEQAT-UHFFFAOYSA-N 1 1 322.412 3.907 20 30 DHEDMO C=C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC000535383826 1035603848 /nfs/dbraw/zinc/60/38/48/1035603848.db2.gz QSNKTAMPOLYSRV-YQVWRLOYSA-N 1 1 314.473 3.678 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)cc1C#N ZINC000535387314 1035606125 /nfs/dbraw/zinc/60/61/25/1035606125.db2.gz MEEJWAAWKQRNQM-DNVCBOLYSA-N 1 1 306.409 3.945 20 30 DHEDMO C[N@@H+](Cc1ccc(Br)c(F)c1)CC1(CC#N)CC1 ZINC001193373686 1035623500 /nfs/dbraw/zinc/62/35/00/1035623500.db2.gz LLSHUBZGZYWEJU-UHFFFAOYSA-N 1 1 311.198 3.714 20 30 DHEDMO C#CC[N@@H+](Cc1ccc2nccnc2c1)[C@H]1CCc2ccccc21 ZINC001180296825 1035645764 /nfs/dbraw/zinc/64/57/64/1035645764.db2.gz MFVGVMSUKGCKGY-NRFANRHFSA-N 1 1 313.404 3.753 20 30 DHEDMO C#CC[N@H+](Cc1ccnn1C1CCC1)[C@@H]1CCc2ccccc21 ZINC001180296837 1035647502 /nfs/dbraw/zinc/64/75/02/1035647502.db2.gz MPWLCMRCFWBUHX-HXUWFJFHSA-N 1 1 305.425 3.731 20 30 DHEDMO C#CC[N@@H+](Cc1ccnn1C1CCC1)[C@@H]1CCc2ccccc21 ZINC001180296837 1035647512 /nfs/dbraw/zinc/64/75/12/1035647512.db2.gz MPWLCMRCFWBUHX-HXUWFJFHSA-N 1 1 305.425 3.731 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000668494077 1035670285 /nfs/dbraw/zinc/67/02/85/1035670285.db2.gz VNEVNWXHFHTXDL-QGZVFWFLSA-N 1 1 310.445 3.672 20 30 DHEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC(C)(C)O ZINC000191496421 1035696662 /nfs/dbraw/zinc/69/66/62/1035696662.db2.gz RUBRWUDCYBVWCR-UHFFFAOYSA-N 1 1 322.452 3.589 20 30 DHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000494608196 1035729442 /nfs/dbraw/zinc/72/94/42/1035729442.db2.gz QCFFPMISMKQGBS-LSDHHAIUSA-N 1 1 323.481 3.551 20 30 DHEDMO CC(C)c1cccc2c1CC[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C2 ZINC001194042235 1035812946 /nfs/dbraw/zinc/81/29/46/1035812946.db2.gz PECNQPZONYIPOX-OAQYLSRUSA-N 1 1 320.436 3.773 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cnn(CC)c2)cc1Cl ZINC000539825762 1035868908 /nfs/dbraw/zinc/86/89/08/1035868908.db2.gz XDYYUGXLTBLJLL-UHFFFAOYSA-N 1 1 319.836 3.753 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)Cc2cnn(CC)c2)cc1Cl ZINC000539825762 1035868930 /nfs/dbraw/zinc/86/89/30/1035868930.db2.gz XDYYUGXLTBLJLL-UHFFFAOYSA-N 1 1 319.836 3.753 20 30 DHEDMO CC[N@H+]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC001194268764 1035897553 /nfs/dbraw/zinc/89/75/53/1035897553.db2.gz JNYLYEDVJADJOK-QGZVFWFLSA-N 1 1 319.452 3.751 20 30 DHEDMO CCN1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC001194268764 1035897571 /nfs/dbraw/zinc/89/75/71/1035897571.db2.gz JNYLYEDVJADJOK-QGZVFWFLSA-N 1 1 319.452 3.751 20 30 DHEDMO CCN1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC001194268764 1035897579 /nfs/dbraw/zinc/89/75/79/1035897579.db2.gz JNYLYEDVJADJOK-QGZVFWFLSA-N 1 1 319.452 3.751 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(OCC)cn1 ZINC000088501080 1035922591 /nfs/dbraw/zinc/92/25/91/1035922591.db2.gz CWKKPYWYCJCMDR-UHFFFAOYSA-N 1 1 307.397 3.540 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OCC)cn1 ZINC000088501080 1035922603 /nfs/dbraw/zinc/92/26/03/1035922603.db2.gz CWKKPYWYCJCMDR-UHFFFAOYSA-N 1 1 307.397 3.540 20 30 DHEDMO C=C(C)C[N@@H+](CC)Cc1nc2ccc(Br)cc2n1C ZINC000485832386 1035984279 /nfs/dbraw/zinc/98/42/79/1035984279.db2.gz IYRGGLASZWRVAH-UHFFFAOYSA-N 1 1 322.250 3.734 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1nc2ccc(Br)cc2n1C ZINC000485832386 1035984287 /nfs/dbraw/zinc/98/42/87/1035984287.db2.gz IYRGGLASZWRVAH-UHFFFAOYSA-N 1 1 322.250 3.734 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CC1CCCCCC1 ZINC001194790959 1036018040 /nfs/dbraw/zinc/01/80/40/1036018040.db2.gz AQBMZJNWNMTTDX-UHFFFAOYSA-N 1 1 300.446 3.977 20 30 DHEDMO C[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)Cc2ccccc2O1 ZINC001194764886 1036030275 /nfs/dbraw/zinc/03/02/75/1036030275.db2.gz PONLRQUSIZWZAN-INIZCTEOSA-N 1 1 322.408 3.610 20 30 DHEDMO C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000540314749 1036036092 /nfs/dbraw/zinc/03/60/92/1036036092.db2.gz WSFMMBJNWKWTJN-HRAATJIYSA-N 1 1 319.452 3.655 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000595366763 1036105592 /nfs/dbraw/zinc/10/55/92/1036105592.db2.gz FRTNDCRZTOPRSX-UHFFFAOYSA-N 1 1 319.383 3.779 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)cc1 ZINC000595366763 1036105605 /nfs/dbraw/zinc/10/56/05/1036105605.db2.gz FRTNDCRZTOPRSX-UHFFFAOYSA-N 1 1 319.383 3.779 20 30 DHEDMO C=C(C)CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCCC1 ZINC001182247281 1036148207 /nfs/dbraw/zinc/14/82/07/1036148207.db2.gz FVYSVSCVKFQMEB-KRWDZBQOSA-N 1 1 320.864 3.949 20 30 DHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000494950575 1036148747 /nfs/dbraw/zinc/14/87/47/1036148747.db2.gz HKIFSLFMXFHTAB-HUUCEWRRSA-N 1 1 323.481 3.551 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001182321609 1036223869 /nfs/dbraw/zinc/22/38/69/1036223869.db2.gz YPYOKQSLFWMPSH-LJQANCHMSA-N 1 1 314.473 3.632 20 30 DHEDMO C[NH+]1CCN(N=Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000914693461 1036239277 /nfs/dbraw/zinc/23/92/77/1036239277.db2.gz WSLORUZERMHPFC-UHFFFAOYSA-N 1 1 319.861 3.650 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCOCC3(CC3)C2)cc1 ZINC000541127700 1036241596 /nfs/dbraw/zinc/24/15/96/1036241596.db2.gz OAKCBRLCDISLLK-UHFFFAOYSA-N 1 1 318.420 3.838 20 30 DHEDMO CC[C@@H](C/N=C\c1ccccc1O)[N@H+]1CCc2ccccc2C1 ZINC000914701125 1036248917 /nfs/dbraw/zinc/24/89/17/1036248917.db2.gz AGGSUEQTGXHWPR-IAFWPLRWSA-N 1 1 308.425 3.648 20 30 DHEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CCC(C)(C)C ZINC001195499314 1036271317 /nfs/dbraw/zinc/27/13/17/1036271317.db2.gz UKXQNQVJWXVGHG-KOHRHEQBSA-N 1 1 321.509 3.674 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000495151056 1036291836 /nfs/dbraw/zinc/29/18/36/1036291836.db2.gz ZEXXFKZVJGFCCR-UHFFFAOYSA-N 1 1 300.358 3.727 20 30 DHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C#N)c(C)c1 ZINC000486704611 1036366016 /nfs/dbraw/zinc/36/60/16/1036366016.db2.gz UQVBIAQYPRKVNU-UHFFFAOYSA-N 1 1 321.380 3.963 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(C#N)c(C)c1 ZINC000486704611 1036366032 /nfs/dbraw/zinc/36/60/32/1036366032.db2.gz UQVBIAQYPRKVNU-UHFFFAOYSA-N 1 1 321.380 3.963 20 30 DHEDMO C[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc(C#N)cc1F ZINC000541904650 1036458055 /nfs/dbraw/zinc/45/80/55/1036458055.db2.gz NPSIRWWFJZGTSG-YJYMSZOUSA-N 1 1 309.388 3.535 20 30 DHEDMO C[N@@H+](CC1=CCSC1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000595887182 1036459877 /nfs/dbraw/zinc/45/98/77/1036459877.db2.gz BJXCBQUVOHTNOZ-UHFFFAOYSA-N 1 1 312.360 3.682 20 30 DHEDMO C=CC[N@@H+](C[C@@H](O)c1ccccc1Br)C(C)(C)C ZINC001196198983 1036471225 /nfs/dbraw/zinc/47/12/25/1036471225.db2.gz UUTKPOKEXHQPFS-CQSZACIVSA-N 1 1 312.251 3.769 20 30 DHEDMO N#Cc1cccc(OCC[N@H+](Cc2ccccc2F)CC2CC2)c1 ZINC001196239290 1036489561 /nfs/dbraw/zinc/48/95/61/1036489561.db2.gz ZPCMHMQBFZZAAQ-UHFFFAOYSA-N 1 1 324.399 3.988 20 30 DHEDMO N#Cc1c(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)cn2ccccc12 ZINC000609144474 1036501510 /nfs/dbraw/zinc/50/15/10/1036501510.db2.gz VNGNFVQBAIDYAX-LJQANCHMSA-N 1 1 317.392 3.854 20 30 DHEDMO N#Cc1c(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cn2ccccc12 ZINC000609144474 1036501517 /nfs/dbraw/zinc/50/15/17/1036501517.db2.gz VNGNFVQBAIDYAX-LJQANCHMSA-N 1 1 317.392 3.854 20 30 DHEDMO CC(C)C[N@@H+](CCOCCC#N)Cc1ccc(F)c(Cl)c1 ZINC001196470178 1036538629 /nfs/dbraw/zinc/53/86/29/1036538629.db2.gz NLZIQJJBWNNLDY-UHFFFAOYSA-N 1 1 312.816 3.867 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cn2cc(Cl)ccc2n1 ZINC000491354741 1036558260 /nfs/dbraw/zinc/55/82/60/1036558260.db2.gz CQWHOVGWMVYGDF-UHFFFAOYSA-N 1 1 315.804 3.811 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cn2cc(Cl)ccc2n1 ZINC000491354741 1036558272 /nfs/dbraw/zinc/55/82/72/1036558272.db2.gz CQWHOVGWMVYGDF-UHFFFAOYSA-N 1 1 315.804 3.811 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(CC)cc1 ZINC000491394138 1036566097 /nfs/dbraw/zinc/56/60/97/1036566097.db2.gz FPMIZEFLXQJYND-UHFFFAOYSA-N 1 1 312.413 3.511 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(CC)cc1 ZINC000491394138 1036566114 /nfs/dbraw/zinc/56/61/14/1036566114.db2.gz FPMIZEFLXQJYND-UHFFFAOYSA-N 1 1 312.413 3.511 20 30 DHEDMO CC[N@@H+](CCNc1c(Cl)cccc1C#N)CCC(F)(F)F ZINC000491598526 1036612421 /nfs/dbraw/zinc/61/24/21/1036612421.db2.gz HRILDKCALLRCQC-UHFFFAOYSA-N 1 1 319.758 3.898 20 30 DHEDMO COC(=O)CC[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC001196841228 1036622813 /nfs/dbraw/zinc/62/28/13/1036622813.db2.gz CLWNYWNDVXRVMH-UHFFFAOYSA-N 1 1 316.445 3.772 20 30 DHEDMO Cc1cc(Br)c2c(c1)CC[N@@H+]([C@H](C)CCC#N)C2 ZINC001196869764 1036639047 /nfs/dbraw/zinc/63/90/47/1036639047.db2.gz RFIGXLAVXIFPON-GFCCVEGCSA-N 1 1 307.235 3.808 20 30 DHEDMO Cc1cc(Br)c2c(c1)CC[N@H+]([C@H](C)CCC#N)C2 ZINC001196869764 1036639058 /nfs/dbraw/zinc/63/90/58/1036639058.db2.gz RFIGXLAVXIFPON-GFCCVEGCSA-N 1 1 307.235 3.808 20 30 DHEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1O ZINC000495453629 1036657314 /nfs/dbraw/zinc/65/73/14/1036657314.db2.gz DPCSQXOAJBGWTJ-MSOLQXFVSA-N 1 1 314.473 3.717 20 30 DHEDMO CCCCCCCC[C@@H]1C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](C)C2 ZINC001273739154 1036711472 /nfs/dbraw/zinc/71/14/72/1036711472.db2.gz YJLAVLODJOAMEM-SJORKVTESA-N 1 1 306.494 3.537 20 30 DHEDMO CC(C)c1[nH+]c(/C=C/C(=O)c2cncc(F)c2)c2ccccn21 ZINC000762604107 1036869545 /nfs/dbraw/zinc/86/95/45/1036869545.db2.gz MNLKAEQFIVJAND-VOTSOKGWSA-N 1 1 309.344 3.888 20 30 DHEDMO C#CCC1([NH2+]Cc2nc(CCc3ccccc3)no2)CCCCC1 ZINC001198085554 1036945043 /nfs/dbraw/zinc/94/50/43/1036945043.db2.gz VPKDBRZBNRVTJL-UHFFFAOYSA-N 1 1 323.440 3.671 20 30 DHEDMO C#CC[N@H+](CC1(Br)CC1)[C@@H]1CCCc2ccccc21 ZINC001198104652 1036954864 /nfs/dbraw/zinc/95/48/64/1036954864.db2.gz QEJBOWQKGANKAT-MRXNPFEDSA-N 1 1 318.258 3.927 20 30 DHEDMO Cc1ccc(OCC[N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000121501287 1036958393 /nfs/dbraw/zinc/95/83/93/1036958393.db2.gz SZKPNURTSPWGFW-QGZVFWFLSA-N 1 1 324.424 3.797 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCSC[C@@H](C)C2)ccc1OC ZINC000488396499 1036996559 /nfs/dbraw/zinc/99/65/59/1036996559.db2.gz LHYOMVMSDWKSTB-HNNXBMFYSA-N 1 1 321.486 3.835 20 30 DHEDMO N#Cc1c(N)sc2c1CC[N@H+](CCC1CCCCCC1)C2 ZINC001198414516 1037014600 /nfs/dbraw/zinc/01/46/00/1037014600.db2.gz VCNKCKNAVHBXQI-UHFFFAOYSA-N 1 1 303.475 3.921 20 30 DHEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1nc(-c2ccccc2F)no1 ZINC001198406096 1037015953 /nfs/dbraw/zinc/01/59/53/1037015953.db2.gz GGSLIBAXNNSLBR-CYBMUJFWSA-N 1 1 301.365 3.806 20 30 DHEDMO Cc1cc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000488434492 1037019533 /nfs/dbraw/zinc/01/95/33/1037019533.db2.gz TVECNRCJPVSZCL-FOIQADDNSA-N 1 1 324.399 3.968 20 30 DHEDMO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000488434492 1037019552 /nfs/dbraw/zinc/01/95/52/1037019552.db2.gz TVECNRCJPVSZCL-FOIQADDNSA-N 1 1 324.399 3.968 20 30 DHEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1cc(C#N)sc1[N+](=O)[O-] ZINC001185097752 1037026050 /nfs/dbraw/zinc/02/60/50/1037026050.db2.gz COTKPEOZWNDONX-GFCCVEGCSA-N 1 1 322.434 3.594 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001198563136 1037059804 /nfs/dbraw/zinc/05/98/04/1037059804.db2.gz IIFQLHCYXDNVKL-ROUUACIJSA-N 1 1 317.860 3.830 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2Cc2ccc(O)cc2)s1 ZINC001198604108 1037076988 /nfs/dbraw/zinc/07/69/88/1037076988.db2.gz HUHHUMODRLFOOG-OAHLLOKOSA-N 1 1 312.438 3.923 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCC[C@@H]1C ZINC000487983973 1037087058 /nfs/dbraw/zinc/08/70/58/1037087058.db2.gz XWOPQPLRXOABJZ-GUYCJALGSA-N 1 1 306.837 3.849 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)cc1 ZINC000780400251 1037119523 /nfs/dbraw/zinc/11/95/23/1037119523.db2.gz UNKCKSNWJXNQSU-PKGLBKFNSA-N 1 1 318.420 3.769 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(Br)c(OCC)c2)C1 ZINC001235447613 1037120842 /nfs/dbraw/zinc/12/08/42/1037120842.db2.gz BQZAYPUBMJSKDR-ZDUSSCGKSA-N 1 1 322.246 3.693 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(Br)c(OCC)c2)C1 ZINC001235447613 1037120851 /nfs/dbraw/zinc/12/08/51/1037120851.db2.gz BQZAYPUBMJSKDR-ZDUSSCGKSA-N 1 1 322.246 3.693 20 30 DHEDMO C[C@H]1CN(c2cc(Cl)ccc2C#N)CC[N@H+](C2CCC2)C1 ZINC000488763641 1037130099 /nfs/dbraw/zinc/13/00/99/1037130099.db2.gz QTBGOFDXZVOGEF-CYBMUJFWSA-N 1 1 303.837 3.522 20 30 DHEDMO N#CC1(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)CC1 ZINC000775973223 1037267048 /nfs/dbraw/zinc/26/70/48/1037267048.db2.gz ATWVBASFPRRKDI-QGZVFWFLSA-N 1 1 312.438 3.587 20 30 DHEDMO N#CC1(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccsc2)CC1 ZINC000775973223 1037267062 /nfs/dbraw/zinc/26/70/62/1037267062.db2.gz ATWVBASFPRRKDI-QGZVFWFLSA-N 1 1 312.438 3.587 20 30 DHEDMO Cc1cc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1C#N ZINC001185949567 1037270237 /nfs/dbraw/zinc/27/02/37/1037270237.db2.gz RIYSGXICSYKKCQ-FUHWJXTLSA-N 1 1 320.440 3.584 20 30 DHEDMO Cc1cccc(N2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)c1C ZINC000326060111 1037309116 /nfs/dbraw/zinc/30/91/16/1037309116.db2.gz DNQVRDBGHUHCBU-UHFFFAOYSA-N 1 1 323.415 3.636 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000489412274 1037415051 /nfs/dbraw/zinc/41/50/51/1037415051.db2.gz XDFOONQQPMSJSU-CQSZACIVSA-N 1 1 303.793 3.931 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000489412274 1037415057 /nfs/dbraw/zinc/41/50/57/1037415057.db2.gz XDFOONQQPMSJSU-CQSZACIVSA-N 1 1 303.793 3.931 20 30 DHEDMO C[C@H]1C[C@@H](C[N@@H+](C)CC(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC000496136078 1037424266 /nfs/dbraw/zinc/42/42/66/1037424266.db2.gz YEAZTGODWAYOCF-GJZGRUSLSA-N 1 1 323.481 3.504 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)c(F)c1 ZINC000609233421 1037441509 /nfs/dbraw/zinc/44/15/09/1037441509.db2.gz BHNGMRCKPSBQAG-IBGZPJMESA-N 1 1 310.372 3.661 20 30 DHEDMO CC[C@](C)([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1nccs1 ZINC000152646544 1037477561 /nfs/dbraw/zinc/47/75/61/1037477561.db2.gz DSYPPSPXBOHQDX-DYVFJYSZSA-N 1 1 315.442 3.849 20 30 DHEDMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)c1 ZINC000055911268 1037496179 /nfs/dbraw/zinc/49/61/79/1037496179.db2.gz JQAKSNJMUOLPCA-LJQANCHMSA-N 1 1 319.408 3.642 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC#Cc1ccccc1 ZINC000398000485 1037578037 /nfs/dbraw/zinc/57/80/37/1037578037.db2.gz VRNDYRULILXLTR-UGKGYDQZSA-N 1 1 318.464 3.538 20 30 DHEDMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000398000485 1037578052 /nfs/dbraw/zinc/57/80/52/1037578052.db2.gz VRNDYRULILXLTR-UGKGYDQZSA-N 1 1 318.464 3.538 20 30 DHEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000490023365 1037591904 /nfs/dbraw/zinc/59/19/04/1037591904.db2.gz IHEHVTHNYWQUEM-LJQANCHMSA-N 1 1 321.424 3.514 20 30 DHEDMO CCC[N@@H+](CCCCC#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490078704 1037601527 /nfs/dbraw/zinc/60/15/27/1037601527.db2.gz IDINBNNZMPBRTQ-INIZCTEOSA-N 1 1 301.434 3.728 20 30 DHEDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1nc(C(C)(C)C)ccc1C#N ZINC001187361768 1037620542 /nfs/dbraw/zinc/62/05/42/1037620542.db2.gz PVSJMYSBEPFJMD-KRWDZBQOSA-N 1 1 320.440 3.849 20 30 DHEDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1nc(C(C)(C)C)ccc1C#N ZINC001187361768 1037620549 /nfs/dbraw/zinc/62/05/49/1037620549.db2.gz PVSJMYSBEPFJMD-KRWDZBQOSA-N 1 1 320.440 3.849 20 30 DHEDMO CC(=[NH+]NCc1ccc(F)c(F)c1)c1ccc(N(C)C)cc1 ZINC000915975107 1037626802 /nfs/dbraw/zinc/62/68/02/1037626802.db2.gz OTONKSGNYUKTTL-UHFFFAOYSA-N 1 1 303.356 3.545 20 30 DHEDMO C=CCCCC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000494188192 1037670127 /nfs/dbraw/zinc/67/01/27/1037670127.db2.gz HUJHAJYKQCDDAJ-LJQANCHMSA-N 1 1 300.446 3.514 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000775135547 1037685873 /nfs/dbraw/zinc/68/58/73/1037685873.db2.gz GVMLGXSHYDLTSK-GXTWGEPZSA-N 1 1 312.335 3.752 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NC[C@H]2CC(C)(C)O2)cc1 ZINC001168460864 1037699802 /nfs/dbraw/zinc/69/98/02/1037699802.db2.gz VFKSAMQTKGZUCW-MSOLQXFVSA-N 1 1 300.446 3.989 20 30 DHEDMO Cc1ccc(C)c(N[NH+]=Cc2ccc(N3CCOCC3)s2)c1 ZINC000916346047 1037742691 /nfs/dbraw/zinc/74/26/91/1037742691.db2.gz TURYTYAQPGDSSZ-UHFFFAOYSA-N 1 1 315.442 3.648 20 30 DHEDMO CCCCCCCCCCCC[N@H+]1CC[C@H](O)[C@](C)(CO)C1 ZINC001201631060 1037800056 /nfs/dbraw/zinc/80/00/56/1037800056.db2.gz LPPVNWIGKMZSPY-OALUTQOASA-N 1 1 313.526 3.973 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2Cc2ccccc2)cc1 ZINC000763410083 1037823784 /nfs/dbraw/zinc/82/37/84/1037823784.db2.gz YLIONOWSNZECIW-RTWAWAEBSA-N 1 1 320.436 3.689 20 30 DHEDMO C=CCOc1cccc(C[N@@H+](C)C2CCN(CCC)CC2)c1 ZINC000123819564 1037868756 /nfs/dbraw/zinc/86/87/56/1037868756.db2.gz GLQOWTZEMOJZDK-UHFFFAOYSA-N 1 1 302.462 3.558 20 30 DHEDMO C=CCOc1cccc(C[N@H+](C)C2CCN(CCC)CC2)c1 ZINC000123819564 1037868773 /nfs/dbraw/zinc/86/87/73/1037868773.db2.gz GLQOWTZEMOJZDK-UHFFFAOYSA-N 1 1 302.462 3.558 20 30 DHEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](CCCCCCC)C2 ZINC001201762785 1037884665 /nfs/dbraw/zinc/88/46/65/1037884665.db2.gz VEUMURFYKUNLAF-IBGZPJMESA-N 1 1 306.494 3.990 20 30 DHEDMO CCCCCCC[N@H+]1CCc2ncnc(-c3cccnc3)c2CC1 ZINC001201776922 1037905645 /nfs/dbraw/zinc/90/56/45/1037905645.db2.gz PENHWKRDTIXIHC-UHFFFAOYSA-N 1 1 324.472 3.910 20 30 DHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCO[C@H](C)C1 ZINC000491088569 1037907450 /nfs/dbraw/zinc/90/74/50/1037907450.db2.gz AYEPQLGXTCSMMQ-VQIMIIECSA-N 1 1 300.446 3.831 20 30 DHEDMO COc1c(O)cccc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000491091232 1037911430 /nfs/dbraw/zinc/91/14/30/1037911430.db2.gz OEABWLLEOAQRTL-UHFFFAOYSA-N 1 1 324.424 3.931 20 30 DHEDMO CCCCCCCC[N@@H+]1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001201826317 1037911719 /nfs/dbraw/zinc/91/17/19/1037911719.db2.gz RMKVEYLITXKRAD-SFHVURJKSA-N 1 1 323.502 3.895 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001201826317 1037911737 /nfs/dbraw/zinc/91/17/37/1037911737.db2.gz RMKVEYLITXKRAD-SFHVURJKSA-N 1 1 323.502 3.895 20 30 DHEDMO Cc1ccc(F)cc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000491093211 1037913659 /nfs/dbraw/zinc/91/36/59/1037913659.db2.gz VGRJOEXTAIOTHB-UHFFFAOYSA-N 1 1 323.415 3.718 20 30 DHEDMO CCCCCCCCC[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001201839659 1037918990 /nfs/dbraw/zinc/91/89/90/1037918990.db2.gz OVFAEMVCPORXRC-LJQANCHMSA-N 1 1 316.493 3.882 20 30 DHEDMO Clc1ccc(C#CC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186624805 1037922039 /nfs/dbraw/zinc/92/20/39/1037922039.db2.gz RIGOBQWUOOXQGZ-HXUWFJFHSA-N 1 1 323.823 3.823 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186624805 1037922050 /nfs/dbraw/zinc/92/20/50/1037922050.db2.gz RIGOBQWUOOXQGZ-HXUWFJFHSA-N 1 1 323.823 3.823 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000775182586 1037931447 /nfs/dbraw/zinc/93/14/47/1037931447.db2.gz DPYZOFRXEXHOOA-QGZVFWFLSA-N 1 1 308.425 3.731 20 30 DHEDMO CC(C)C[C@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491195127 1037938053 /nfs/dbraw/zinc/93/80/53/1037938053.db2.gz SPLZGAVDCQQJPN-LJQANCHMSA-N 1 1 322.456 3.969 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000586775118 1037948866 /nfs/dbraw/zinc/94/88/66/1037948866.db2.gz MYXVTYDVQJKYEA-SFHVURJKSA-N 1 1 308.429 3.938 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000586775118 1037948880 /nfs/dbraw/zinc/94/88/80/1037948880.db2.gz MYXVTYDVQJKYEA-SFHVURJKSA-N 1 1 308.429 3.938 20 30 DHEDMO Cn1nccc1C1=CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000586774298 1037949802 /nfs/dbraw/zinc/94/98/02/1037949802.db2.gz PWEKQHUZMLCMBA-UHFFFAOYSA-N 1 1 320.440 3.511 20 30 DHEDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000586780147 1037964799 /nfs/dbraw/zinc/96/47/99/1037964799.db2.gz DORZMDKKBMCTIP-VQIMIIECSA-N 1 1 311.473 3.546 20 30 DHEDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000586780147 1037964813 /nfs/dbraw/zinc/96/48/13/1037964813.db2.gz DORZMDKKBMCTIP-VQIMIIECSA-N 1 1 311.473 3.546 20 30 DHEDMO CCc1ccc([C@@H]2CCC[N@@H+](Cc3ccnc(C#N)c3)C2)cc1 ZINC000586784716 1037968089 /nfs/dbraw/zinc/96/80/89/1037968089.db2.gz VXFFJWFNIRADOW-LJQANCHMSA-N 1 1 305.425 3.895 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000497144539 1037976041 /nfs/dbraw/zinc/97/60/41/1037976041.db2.gz KNLMWTSJJBWRRC-INIZCTEOSA-N 1 1 309.837 3.906 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000570959503 1038043481 /nfs/dbraw/zinc/04/34/81/1038043481.db2.gz FKOHXEGMJFBEEW-QGZVFWFLSA-N 1 1 305.425 3.872 20 30 DHEDMO C[C@]1(c2ccccc2)CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000156393824 1038072596 /nfs/dbraw/zinc/07/25/96/1038072596.db2.gz RBISDKVWTCUTBC-SFTDATJTSA-N 1 1 320.436 3.645 20 30 DHEDMO C#CC[C@H]([NH2+]Cc1ncccc1C(F)(F)F)c1ccccc1 ZINC000776252330 1038075414 /nfs/dbraw/zinc/07/54/14/1038075414.db2.gz LZDZMRZWNODQDB-HNNXBMFYSA-N 1 1 304.315 3.955 20 30 DHEDMO Cc1ccc(C(C)(C)C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000156534174 1038128895 /nfs/dbraw/zinc/12/88/95/1038128895.db2.gz BHERSAMDXZGEOE-HXUWFJFHSA-N 1 1 322.452 3.810 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000126894955 1038133087 /nfs/dbraw/zinc/13/30/87/1038133087.db2.gz ZAISNXMSUXQFOE-ZWKOTPCHSA-N 1 1 302.462 3.744 20 30 DHEDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000156599790 1038145958 /nfs/dbraw/zinc/14/59/58/1038145958.db2.gz TUFFZNBKQGBZHU-CCKFTAQKSA-N 1 1 324.424 3.966 20 30 DHEDMO NC(=[NH+]OCc1nc(C(F)(F)F)cs1)C1CCCCC1 ZINC000154266947 1038152529 /nfs/dbraw/zinc/15/25/29/1038152529.db2.gz ULGBWGGTXNCCOO-UHFFFAOYSA-N 1 1 307.341 3.531 20 30 DHEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000917063399 1038153512 /nfs/dbraw/zinc/15/35/12/1038153512.db2.gz RDQXTQKMOBIIJD-UHFFFAOYSA-N 1 1 324.424 3.858 20 30 DHEDMO CCCCC(N)=[NH+]OCc1coc(-c2c(F)cccc2F)n1 ZINC000154269362 1038172533 /nfs/dbraw/zinc/17/25/33/1038172533.db2.gz RVJZQWLOTLGJBL-UHFFFAOYSA-N 1 1 309.316 3.599 20 30 DHEDMO CC(C)[N@@H+](C)CC1CCN(CC#Cc2ccccc2Cl)CC1 ZINC000571981685 1038284902 /nfs/dbraw/zinc/28/49/02/1038284902.db2.gz HVYGXWXRBGDCNV-UHFFFAOYSA-N 1 1 318.892 3.744 20 30 DHEDMO CCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000164820288 1038308785 /nfs/dbraw/zinc/30/87/85/1038308785.db2.gz HSLOCULVUFESSG-GFCCVEGCSA-N 1 1 319.474 3.557 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001190485513 1038318353 /nfs/dbraw/zinc/31/83/53/1038318353.db2.gz LHQXDMACPODNFC-DZGCQCFKSA-N 1 1 317.326 3.924 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001190485513 1038318362 /nfs/dbraw/zinc/31/83/62/1038318362.db2.gz LHQXDMACPODNFC-DZGCQCFKSA-N 1 1 317.326 3.924 20 30 DHEDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2cccc(C(F)F)c2C#N)C[C@@H](C)C1 ZINC000572016643 1038318653 /nfs/dbraw/zinc/31/86/53/1038318653.db2.gz XZHYIRNAWRPXAN-IIYDPXPESA-N 1 1 319.399 3.662 20 30 DHEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2cccc(C(F)F)c2C#N)C[C@@H](C)C1 ZINC000572016645 1038319988 /nfs/dbraw/zinc/31/99/88/1038319988.db2.gz XZHYIRNAWRPXAN-XNJGSVPQSA-N 1 1 319.399 3.662 20 30 DHEDMO CCC#C[C@@H](C)[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001190466511 1038326373 /nfs/dbraw/zinc/32/63/73/1038326373.db2.gz YZFKNSJCNVPDJX-MXWKQRLJSA-N 1 1 301.274 3.851 20 30 DHEDMO CCC#C[C@@H](C)[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001190466511 1038326387 /nfs/dbraw/zinc/32/63/87/1038326387.db2.gz YZFKNSJCNVPDJX-MXWKQRLJSA-N 1 1 301.274 3.851 20 30 DHEDMO C[NH+](C)Cc1ccc(NC(=O)CCCCCC#N)cc1Cl ZINC000588727217 1038333157 /nfs/dbraw/zinc/33/31/57/1038333157.db2.gz TYUFOANBUQMHGL-UHFFFAOYSA-N 1 1 307.825 3.814 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)nc1 ZINC000572301102 1038356656 /nfs/dbraw/zinc/35/66/56/1038356656.db2.gz XHHNHHCTGQEFHV-ZCNNSNEGSA-N 1 1 303.409 3.721 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC000775408131 1038375635 /nfs/dbraw/zinc/37/56/35/1038375635.db2.gz HOCFNOVNRORGHJ-CQSZACIVSA-N 1 1 310.426 3.845 20 30 DHEDMO CCCCCCCCNC(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001191052150 1038425783 /nfs/dbraw/zinc/42/57/83/1038425783.db2.gz LBBHLTIICQZJJL-UHFFFAOYSA-N 1 1 315.421 3.749 20 30 DHEDMO CCCCCCCCNC(=O)N1CCC([N@@H+](C)C2CC2)CC1 ZINC001191067784 1038428344 /nfs/dbraw/zinc/42/83/44/1038428344.db2.gz AUTLCYSOUSVREO-UHFFFAOYSA-N 1 1 309.498 3.615 20 30 DHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cncc(C#N)c2)C12CCCCC2 ZINC001191320703 1038488938 /nfs/dbraw/zinc/48/89/38/1038488938.db2.gz VUAIYONYSRAJAR-QZTJIDSGSA-N 1 1 313.445 3.513 20 30 DHEDMO C#CCCCCCC[N@@H+]1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC001191464877 1038510471 /nfs/dbraw/zinc/51/04/71/1038510471.db2.gz SDGXQCBUQCFQKD-INIZCTEOSA-N 1 1 318.427 3.776 20 30 DHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)C12CCC2 ZINC001191551259 1038519371 /nfs/dbraw/zinc/51/93/71/1038519371.db2.gz PSYDTVUKEIKSNG-IAGOWNOFSA-N 1 1 318.848 3.991 20 30 DHEDMO N#Cc1cccc(C2CC[NH+](C3CCN(CC4CC4)CC3)CC2)c1 ZINC001168393116 1038530638 /nfs/dbraw/zinc/53/06/38/1038530638.db2.gz WBWGLOKTUOUUIU-UHFFFAOYSA-N 1 1 323.484 3.612 20 30 DHEDMO N#Cc1cccc(C2CCN(C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC001168393116 1038530644 /nfs/dbraw/zinc/53/06/44/1038530644.db2.gz WBWGLOKTUOUUIU-UHFFFAOYSA-N 1 1 323.484 3.612 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000590022563 1038567617 /nfs/dbraw/zinc/56/76/17/1038567617.db2.gz BWEDHQMCCVQIQD-SFHVURJKSA-N 1 1 312.457 3.736 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000590202307 1038604214 /nfs/dbraw/zinc/60/42/14/1038604214.db2.gz DQZKKSXIACZNGZ-GOSISDBHSA-N 1 1 312.800 3.865 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2cccc(O)c2Cl)cc1Cl ZINC000590190483 1038604622 /nfs/dbraw/zinc/60/46/22/1038604622.db2.gz ILHHXKOYRDCOAE-UHFFFAOYSA-N 1 1 307.180 3.860 20 30 DHEDMO C=C(C)CC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC001192371115 1038642669 /nfs/dbraw/zinc/64/26/69/1038642669.db2.gz XFPPDMYQNIJCBG-YLJYHZDGSA-N 1 1 315.505 3.889 20 30 DHEDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000590756932 1038699914 /nfs/dbraw/zinc/69/99/14/1038699914.db2.gz OGANTJYYOBRGJS-YJBOKZPZSA-N 1 1 300.446 3.735 20 30 DHEDMO C[C@H](CCC#N)[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000591011875 1038743812 /nfs/dbraw/zinc/74/38/12/1038743812.db2.gz WECURNSCRRCCAM-OPRDCNLKSA-N 1 1 302.262 3.741 20 30 DHEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000591016070 1038744726 /nfs/dbraw/zinc/74/47/26/1038744726.db2.gz QWLIMMKOABFRNQ-KRWDZBQOSA-N 1 1 300.450 3.730 20 30 DHEDMO N#CC1(CC[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)CCCCC1 ZINC000591022866 1038750123 /nfs/dbraw/zinc/75/01/23/1038750123.db2.gz NVCXVCFUOAQSJA-ZWKOTPCHSA-N 1 1 304.478 3.989 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cn1nccc1-c1cccnc1 ZINC000170637704 1038816144 /nfs/dbraw/zinc/81/61/44/1038816144.db2.gz LTUQITVCDKLTCG-UHFFFAOYSA-N 1 1 304.397 3.591 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)Cn1nccc1-c1cccnc1 ZINC000170637704 1038816175 /nfs/dbraw/zinc/81/61/75/1038816175.db2.gz LTUQITVCDKLTCG-UHFFFAOYSA-N 1 1 304.397 3.591 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2nc3ccccc3n2CC)cc1 ZINC000061028028 1038883996 /nfs/dbraw/zinc/88/39/96/1038883996.db2.gz HWZXRUGYSOVRBL-UHFFFAOYSA-N 1 1 321.424 3.911 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H](C)CN(CC)CC)cc1Cl ZINC000591707960 1038965495 /nfs/dbraw/zinc/96/54/95/1038965495.db2.gz ACXWKBVCOWHLSZ-CQSZACIVSA-N 1 1 310.869 3.725 20 30 DHEDMO C=C(Br)C[NH2+]Cc1sccc1Br ZINC000087575632 1039059285 /nfs/dbraw/zinc/05/92/85/1039059285.db2.gz MEBDNEOGVJMQNW-UHFFFAOYSA-N 1 1 311.042 3.509 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c(C(F)(F)F)c1 ZINC000593697566 1039078173 /nfs/dbraw/zinc/07/81/73/1039078173.db2.gz MCFKJUYYJKUGEY-ZDUSSCGKSA-N 1 1 316.273 3.808 20 30 DHEDMO Cc1ccc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cc1C#N ZINC000599258524 1039104582 /nfs/dbraw/zinc/10/45/82/1039104582.db2.gz HUCHARCBXQKYNS-UHFFFAOYSA-N 1 1 304.393 3.862 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599298693 1039114909 /nfs/dbraw/zinc/11/49/09/1039114909.db2.gz XIJJEFBSTZRIMW-QGZVFWFLSA-N 1 1 306.409 3.865 20 30 DHEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1ccncc1C#N ZINC000592070087 1039117382 /nfs/dbraw/zinc/11/73/82/1039117382.db2.gz FLAHVRGBXLNETP-IBGZPJMESA-N 1 1 311.404 3.791 20 30 DHEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2ccncc2C#N)c1 ZINC000592098480 1039120601 /nfs/dbraw/zinc/12/06/01/1039120601.db2.gz AXBQWPTTZKMTOF-KUHUBIRLSA-N 1 1 307.397 3.545 20 30 DHEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2ccncc2C#N)c1 ZINC000592098480 1039120607 /nfs/dbraw/zinc/12/06/07/1039120607.db2.gz AXBQWPTTZKMTOF-KUHUBIRLSA-N 1 1 307.397 3.545 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000592124879 1039123559 /nfs/dbraw/zinc/12/35/59/1039123559.db2.gz LPTBVSWGZDBCIU-IBGZPJMESA-N 1 1 303.409 3.723 20 30 DHEDMO C[C@@]1(Cc2ccccc2F)CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000592143776 1039138920 /nfs/dbraw/zinc/13/89/20/1039138920.db2.gz NAOPZGSOAKHBEM-IBGZPJMESA-N 1 1 309.388 3.690 20 30 DHEDMO COCC[N@H+](Cc1ccc(C)cc1C)Cc1ccccc1C#N ZINC000603894827 1039215010 /nfs/dbraw/zinc/21/50/10/1039215010.db2.gz VFLNHCARVQLDNN-UHFFFAOYSA-N 1 1 308.425 3.824 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C)cc1C)Cc1ccccc1C#N ZINC000603894827 1039215033 /nfs/dbraw/zinc/21/50/33/1039215033.db2.gz VFLNHCARVQLDNN-UHFFFAOYSA-N 1 1 308.425 3.824 20 30 DHEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586598 1039223246 /nfs/dbraw/zinc/22/32/46/1039223246.db2.gz AWCXSPQAKLLXIP-LSDHHAIUSA-N 1 1 308.466 3.616 20 30 DHEDMO COc1cc(C[N@H+](Cc2ccc(C)nc2)CC2CC2)ccc1C#N ZINC000592525137 1039225092 /nfs/dbraw/zinc/22/50/92/1039225092.db2.gz IFPXBQRAYJNNAQ-UHFFFAOYSA-N 1 1 321.424 3.683 20 30 DHEDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000599693069 1039260640 /nfs/dbraw/zinc/26/06/40/1039260640.db2.gz WBCUKDDZPNMLSH-MUJYYYPQSA-N 1 1 306.450 3.513 20 30 DHEDMO CC(C)[N@H+](Cc1cc2n(n1)CCCC2)Cc1ccc(C#N)cc1 ZINC000593003141 1039328489 /nfs/dbraw/zinc/32/84/89/1039328489.db2.gz SWQJXABNSOTWPB-UHFFFAOYSA-N 1 1 308.429 3.502 20 30 DHEDMO CC(C)[N@@H+](Cc1cc2n(n1)CCCC2)Cc1ccc(C#N)cc1 ZINC000593003141 1039328504 /nfs/dbraw/zinc/32/85/04/1039328504.db2.gz SWQJXABNSOTWPB-UHFFFAOYSA-N 1 1 308.429 3.502 20 30 DHEDMO C[C@@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000592404022 1039448966 /nfs/dbraw/zinc/44/89/66/1039448966.db2.gz UTMZGFAFOLPTNI-HBGVWJBISA-N 1 1 319.452 3.554 20 30 DHEDMO C[C@@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000592404022 1039448971 /nfs/dbraw/zinc/44/89/71/1039448971.db2.gz UTMZGFAFOLPTNI-HBGVWJBISA-N 1 1 319.452 3.554 20 30 DHEDMO C[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000592404022 1039448975 /nfs/dbraw/zinc/44/89/75/1039448975.db2.gz UTMZGFAFOLPTNI-HBGVWJBISA-N 1 1 319.452 3.554 20 30 DHEDMO CCCC[N@H+](CC(=O)N(CC)CCC#N)[C@H](C)c1ccc(C)o1 ZINC000604493621 1039484775 /nfs/dbraw/zinc/48/47/75/1039484775.db2.gz QMQJFGUFOZBCRO-MRXNPFEDSA-N 1 1 319.449 3.513 20 30 DHEDMO CCCC[N@@H+](CC(=O)N(CC)CCC#N)[C@H](C)c1ccc(C)o1 ZINC000604493621 1039484786 /nfs/dbraw/zinc/48/47/86/1039484786.db2.gz QMQJFGUFOZBCRO-MRXNPFEDSA-N 1 1 319.449 3.513 20 30 DHEDMO CCC[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc(OC)cc1 ZINC000604492962 1039485246 /nfs/dbraw/zinc/48/52/46/1039485246.db2.gz OLRLBEPAAAEUPL-UHFFFAOYSA-N 1 1 324.424 3.858 20 30 DHEDMO N#CC1(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CCCC1 ZINC000593650672 1039575518 /nfs/dbraw/zinc/57/55/18/1039575518.db2.gz YAEZUDQHTRBASI-UHFFFAOYSA-N 1 1 312.335 3.801 20 30 DHEDMO COc1cc(C[NH2+]CC2(C#N)CCCC2)ccc1OC(C)C ZINC000593649344 1039575576 /nfs/dbraw/zinc/57/55/76/1039575576.db2.gz AQADRWPAEBYFDC-UHFFFAOYSA-N 1 1 302.418 3.656 20 30 DHEDMO CC(C)c1ccc(C[NH2+]CC2(C#N)CCCC2)cc1[N+](=O)[O-] ZINC000593650614 1039578015 /nfs/dbraw/zinc/57/80/15/1039578015.db2.gz WULVNOJGPFBLNB-UHFFFAOYSA-N 1 1 301.390 3.892 20 30 DHEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000593944155 1039633325 /nfs/dbraw/zinc/63/33/25/1039633325.db2.gz SXIKSWXJYWYSEQ-LBPRGKRZSA-N 1 1 324.306 3.839 20 30 DHEDMO C=CCCCN(C)C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000605886544 1039753881 /nfs/dbraw/zinc/75/38/81/1039753881.db2.gz ZCDUCJYVMUTKBE-GOSISDBHSA-N 1 1 321.509 3.639 20 30 DHEDMO C[C@H](CNCc1ccc(C(C)(C)C#N)cc1)C[NH+]1CCCCC1 ZINC000594495183 1039797439 /nfs/dbraw/zinc/79/74/39/1039797439.db2.gz NFSWIWSIXSAXCH-QGZVFWFLSA-N 1 1 313.489 3.699 20 30 DHEDMO CC(C)C[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)[NH+](C)C ZINC000594495363 1039797519 /nfs/dbraw/zinc/79/75/19/1039797519.db2.gz RDNROTQILIOZAE-SFHVURJKSA-N 1 1 301.478 3.554 20 30 DHEDMO CC1CC[NH+](CCCNCc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594493200 1039798574 /nfs/dbraw/zinc/79/85/74/1039798574.db2.gz GTDWPNVVTDDKRF-UHFFFAOYSA-N 1 1 313.489 3.699 20 30 DHEDMO CC(C)(C#N)c1ccc(C[NH2+]CCc2ccc3cn[nH]c3c2)cc1 ZINC000594506081 1039805134 /nfs/dbraw/zinc/80/51/34/1039805134.db2.gz LKXXEYJHCWUXLO-UHFFFAOYSA-N 1 1 318.424 3.696 20 30 DHEDMO N#Cc1c(NC[C@@H]2CCCC[N@H+]2C2CC2)cccc1C(F)F ZINC000594577450 1039860486 /nfs/dbraw/zinc/86/04/86/1039860486.db2.gz ZIZNDKKBWRWHGL-ZDUSSCGKSA-N 1 1 305.372 3.925 20 30 DHEDMO Cc1nn(-c2ccccc2Cl)cc1C[NH2+]CC1(C#N)CCC1 ZINC000594605892 1039867945 /nfs/dbraw/zinc/86/79/45/1039867945.db2.gz FMJDONRWAYXJKX-UHFFFAOYSA-N 1 1 314.820 3.618 20 30 DHEDMO C[C@@H]1CCCC[N@@H+]1CCCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594918355 1039926893 /nfs/dbraw/zinc/92/68/93/1039926893.db2.gz NZRCQUFOQMKMGS-QGZVFWFLSA-N 1 1 311.473 3.596 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594918355 1039926910 /nfs/dbraw/zinc/92/69/10/1039926910.db2.gz NZRCQUFOQMKMGS-QGZVFWFLSA-N 1 1 311.473 3.596 20 30 DHEDMO CC[C@@H]1CCCC[N@@H+]1CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594923977 1039930438 /nfs/dbraw/zinc/93/04/38/1039930438.db2.gz KTROPSLNHFOROP-LJQANCHMSA-N 1 1 311.473 3.596 20 30 DHEDMO CC[C@@H]1CCCC[N@H+]1CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594923977 1039930448 /nfs/dbraw/zinc/93/04/48/1039930448.db2.gz KTROPSLNHFOROP-LJQANCHMSA-N 1 1 311.473 3.596 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1noc2ccccc21 ZINC000594013384 1039941844 /nfs/dbraw/zinc/94/18/44/1039941844.db2.gz WBAXKPGUSQKANY-AWEZNQCLSA-N 1 1 305.381 3.935 20 30 DHEDMO C=CC(C)(C)CC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001127166150 1039952761 /nfs/dbraw/zinc/95/27/61/1039952761.db2.gz VCDIPXKYLWKBQS-SJORKVTESA-N 1 1 314.473 3.710 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172800724 1040060976 /nfs/dbraw/zinc/06/09/76/1040060976.db2.gz UNZGMZKEVACVDR-OAHLLOKOSA-N 1 1 323.481 3.505 20 30 DHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc([S@@](C)=O)cc1 ZINC000595090562 1040074633 /nfs/dbraw/zinc/07/46/33/1040074633.db2.gz IAFVPIWBZQJISZ-SPLOXXLWSA-N 1 1 304.459 3.549 20 30 DHEDMO COc1ccc2c(c1F)CC[C@H]2[NH2+]CC1(C#N)CCCCC1 ZINC000595091391 1040078609 /nfs/dbraw/zinc/07/86/09/1040078609.db2.gz PYYCEWRYUJQFLC-OAHLLOKOSA-N 1 1 302.393 3.885 20 30 DHEDMO COc1ncc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)cc1Cl ZINC000595092010 1040079106 /nfs/dbraw/zinc/07/91/06/1040079106.db2.gz UOZFVGWYVQKQTE-GFCCVEGCSA-N 1 1 307.825 3.868 20 30 DHEDMO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCCCC2)c(OC)c1 ZINC000595097434 1040080826 /nfs/dbraw/zinc/08/08/26/1040080826.db2.gz IBZCOYLRWMJCRC-AWEZNQCLSA-N 1 1 302.418 3.828 20 30 DHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc2c(c1)OCCO2 ZINC000595098291 1040081328 /nfs/dbraw/zinc/08/13/28/1040081328.db2.gz NNHLOEXSAQQOFA-CQSZACIVSA-N 1 1 300.402 3.582 20 30 DHEDMO CCC[N@@H+](C)C[C@H]1CCN(c2c(C#N)cnc3c(C)cccc32)C1 ZINC000078563675 1040087066 /nfs/dbraw/zinc/08/70/66/1040087066.db2.gz NOTKQBQLYMXHRB-MRXNPFEDSA-N 1 1 322.456 3.583 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595329543 1040100048 /nfs/dbraw/zinc/10/00/48/1040100048.db2.gz UKCQQHDOGBRQCX-INIZCTEOSA-N 1 1 321.509 3.533 20 30 DHEDMO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000595343647 1040102795 /nfs/dbraw/zinc/10/27/95/1040102795.db2.gz HKBFQOCBYWLDKU-KDOFPFPSSA-N 1 1 312.438 3.624 20 30 DHEDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595305718 1040105352 /nfs/dbraw/zinc/10/53/52/1040105352.db2.gz JJGGJHCUOBUPEP-OXJNMPFZSA-N 1 1 306.409 3.563 20 30 DHEDMO CCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000592996826 1040123891 /nfs/dbraw/zinc/12/38/91/1040123891.db2.gz BOITWYHNJJADGV-UHFFFAOYSA-N 1 1 309.369 3.879 20 30 DHEDMO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593016116 1040131345 /nfs/dbraw/zinc/13/13/45/1040131345.db2.gz IDYFRGWFHUVFIJ-KRWDZBQOSA-N 1 1 324.384 3.532 20 30 DHEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593016116 1040131355 /nfs/dbraw/zinc/13/13/55/1040131355.db2.gz IDYFRGWFHUVFIJ-KRWDZBQOSA-N 1 1 324.384 3.532 20 30 DHEDMO CC[N@H+](Cc1cc2n(n1)CCCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000592998673 1040133429 /nfs/dbraw/zinc/13/34/29/1040133429.db2.gz DVLGXEFLZQRAHL-OAHLLOKOSA-N 1 1 308.429 3.674 20 30 DHEDMO CC[N@@H+](Cc1cc2n(n1)CCCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000592998673 1040133437 /nfs/dbraw/zinc/13/34/37/1040133437.db2.gz DVLGXEFLZQRAHL-OAHLLOKOSA-N 1 1 308.429 3.674 20 30 DHEDMO C[N@@H+](CCCOCc1ccccc1)CCc1ccc(C#N)cc1 ZINC000595468698 1040147047 /nfs/dbraw/zinc/14/70/47/1040147047.db2.gz CBZPLVMFKHYBPS-UHFFFAOYSA-N 1 1 308.425 3.639 20 30 DHEDMO CC(C)Oc1ccnc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000593021308 1040156102 /nfs/dbraw/zinc/15/61/02/1040156102.db2.gz UWNHQGKBBRXFFD-UHFFFAOYSA-N 1 1 307.397 3.519 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@@H+](CCN[C@H](CCCC#N)c2ccccc2)C1 ZINC000595502912 1040156186 /nfs/dbraw/zinc/15/61/86/1040156186.db2.gz ORSSKZIBUOXTCG-WSTZPKSXSA-N 1 1 313.489 3.989 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCN[C@H](CCCC#N)c2ccccc2)C1 ZINC000595502912 1040156191 /nfs/dbraw/zinc/15/61/91/1040156191.db2.gz ORSSKZIBUOXTCG-WSTZPKSXSA-N 1 1 313.489 3.989 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595506923 1040156307 /nfs/dbraw/zinc/15/63/07/1040156307.db2.gz OSYHOIJWLIUHAM-UHFFFAOYSA-N 1 1 321.415 3.807 20 30 DHEDMO C=CC[N@@H+](CCC(=O)Nc1ccccc1)Cc1cccc(C#N)c1 ZINC000063300286 1040179583 /nfs/dbraw/zinc/17/95/83/1040179583.db2.gz MFKJCNZZZACPBE-UHFFFAOYSA-N 1 1 319.408 3.575 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297550 1040184345 /nfs/dbraw/zinc/18/43/45/1040184345.db2.gz AIRUZEQAZCDICG-UHFFFAOYSA-N 1 1 307.353 3.655 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297550 1040184353 /nfs/dbraw/zinc/18/43/53/1040184353.db2.gz AIRUZEQAZCDICG-UHFFFAOYSA-N 1 1 307.353 3.655 20 30 DHEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2cc(C#N)ccn2)c1 ZINC001168423209 1040193028 /nfs/dbraw/zinc/19/30/28/1040193028.db2.gz DYHPDPFBCVWHHW-KUHUBIRLSA-N 1 1 307.397 3.545 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000595617381 1040193435 /nfs/dbraw/zinc/19/34/35/1040193435.db2.gz ZICCHFXRZPKKLT-OAHLLOKOSA-N 1 1 306.331 3.683 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000595617381 1040193441 /nfs/dbraw/zinc/19/34/41/1040193441.db2.gz ZICCHFXRZPKKLT-OAHLLOKOSA-N 1 1 306.331 3.683 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCc2ccccc21 ZINC000593091235 1040196313 /nfs/dbraw/zinc/19/63/13/1040196313.db2.gz LMRASJGQFOOBOK-CQSZACIVSA-N 1 1 321.380 3.628 20 30 DHEDMO C[C@@]1(Cc2ccccc2Cl)CCC[N@H+]1CCOCCC#N ZINC000595636702 1040198846 /nfs/dbraw/zinc/19/88/46/1040198846.db2.gz SJTYPYHKZCQXLY-KRWDZBQOSA-N 1 1 306.837 3.667 20 30 DHEDMO CCOc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1OCC ZINC000595610463 1040206086 /nfs/dbraw/zinc/20/60/86/1040206086.db2.gz ZDJISOADEDBKRH-OAHLLOKOSA-N 1 1 302.418 3.610 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000595612521 1040206494 /nfs/dbraw/zinc/20/64/94/1040206494.db2.gz XUCCPDGOTSNRRX-ZDUSSCGKSA-N 1 1 312.335 3.753 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595747864 1040240396 /nfs/dbraw/zinc/24/03/96/1040240396.db2.gz NILKKMLXHTYQSS-ORYQWCPZSA-N 1 1 320.436 3.717 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595788356 1040253547 /nfs/dbraw/zinc/25/35/47/1040253547.db2.gz MPCUERLZULGYGC-CRAIPNDOSA-N 1 1 318.848 3.993 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595788356 1040253564 /nfs/dbraw/zinc/25/35/64/1040253564.db2.gz MPCUERLZULGYGC-CRAIPNDOSA-N 1 1 318.848 3.993 20 30 DHEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000595839688 1040258803 /nfs/dbraw/zinc/25/88/03/1040258803.db2.gz IEELJFAUYWTURJ-FQEVSTJZSA-N 1 1 301.393 3.961 20 30 DHEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000595839688 1040258821 /nfs/dbraw/zinc/25/88/21/1040258821.db2.gz IEELJFAUYWTURJ-FQEVSTJZSA-N 1 1 301.393 3.961 20 30 DHEDMO NC(=[NH+]OCc1coc(-c2ccc(F)cc2)n1)C1CCCCC1 ZINC000063458766 1040303675 /nfs/dbraw/zinc/30/36/75/1040303675.db2.gz RIIQAFVASGJJNT-UHFFFAOYSA-N 1 1 317.364 3.850 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2nc(C#N)c(Cl)s2)C1 ZINC000596082628 1040303881 /nfs/dbraw/zinc/30/38/81/1040303881.db2.gz TVPZXTQCAPAMQB-TUAOUCFPSA-N 1 1 324.881 3.510 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2nc(C#N)c(Cl)s2)C1 ZINC000596082626 1040303973 /nfs/dbraw/zinc/30/39/73/1040303973.db2.gz TVPZXTQCAPAMQB-GRYCIOLGSA-N 1 1 324.881 3.510 20 30 DHEDMO Cc1ccc(C#N)nc1N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000596151833 1040319647 /nfs/dbraw/zinc/31/96/47/1040319647.db2.gz BJWGLDBLUALMFW-LPHOPBHVSA-N 1 1 320.440 3.584 20 30 DHEDMO Cc1ccc([C@@H](C)[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000063505278 1040329138 /nfs/dbraw/zinc/32/91/38/1040329138.db2.gz SYJNNWMEUYVCKV-MRXNPFEDSA-N 1 1 321.424 3.888 20 30 DHEDMO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000173561938 1040332588 /nfs/dbraw/zinc/33/25/88/1040332588.db2.gz KFPQGFSTKJSZAT-JXFKEZNVSA-N 1 1 308.425 3.983 20 30 DHEDMO Cc1cc(N2CC[C@@](C)(C#N)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000596530877 1040478548 /nfs/dbraw/zinc/47/85/48/1040478548.db2.gz QKUJXTZHGRGJQI-KRWDZBQOSA-N 1 1 317.339 3.885 20 30 DHEDMO COc1ccccc1OCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063750355 1040487947 /nfs/dbraw/zinc/48/79/47/1040487947.db2.gz IVECFHKFNMAEJF-UHFFFAOYSA-N 1 1 324.424 3.856 20 30 DHEDMO CC1(C)C[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]1c1ccncc1 ZINC000596595177 1040504043 /nfs/dbraw/zinc/50/40/43/1040504043.db2.gz YGJJNFKWZPPWRC-QGZVFWFLSA-N 1 1 313.445 3.565 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761193989 1040555240 /nfs/dbraw/zinc/55/52/40/1040555240.db2.gz OFGKBOIIJHSKBF-UHFFFAOYSA-N 1 1 311.470 3.551 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000076737883 1040577738 /nfs/dbraw/zinc/57/77/38/1040577738.db2.gz PHCQFDUJFAWSLM-KRWDZBQOSA-N 1 1 313.445 3.528 20 30 DHEDMO COc1ccccc1C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596977117 1040614706 /nfs/dbraw/zinc/61/47/06/1040614706.db2.gz FSLRYMRLEKAUKD-UHFFFAOYSA-N 1 1 306.409 3.882 20 30 DHEDMO CC(C)(C#N)C[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000597084006 1040651636 /nfs/dbraw/zinc/65/16/36/1040651636.db2.gz WCTXQRGOFFEIQD-UHFFFAOYSA-N 1 1 307.191 3.835 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)cc2)CC1 ZINC000597137801 1040662661 /nfs/dbraw/zinc/66/26/61/1040662661.db2.gz YTAGMDHJXBSRRC-ZCNNSNEGSA-N 1 1 324.468 3.757 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H]3c3ccncc3)cc2)CC1 ZINC000597127637 1040664734 /nfs/dbraw/zinc/66/47/34/1040664734.db2.gz PMSFBBPANQADOD-IBGZPJMESA-N 1 1 303.409 3.974 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000597175656 1040675229 /nfs/dbraw/zinc/67/52/29/1040675229.db2.gz CEQIBSTXSZUPLQ-LBPRGKRZSA-N 1 1 303.456 3.997 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000597175656 1040675233 /nfs/dbraw/zinc/67/52/33/1040675233.db2.gz CEQIBSTXSZUPLQ-LBPRGKRZSA-N 1 1 303.456 3.997 20 30 DHEDMO COc1cc(C[NH+]2CC(CC#N)C2)c(-c2ccccc2)cc1OC ZINC000597194283 1040675810 /nfs/dbraw/zinc/67/58/10/1040675810.db2.gz QOOCRWRIEXSNAG-UHFFFAOYSA-N 1 1 322.408 3.716 20 30 DHEDMO COc1cccc([C@]2(C)CC[N@@H+](Cc3cc(C#N)cs3)C2)c1 ZINC000597212625 1040686656 /nfs/dbraw/zinc/68/66/56/1040686656.db2.gz WBVREXHPDQQLRS-GOSISDBHSA-N 1 1 312.438 3.792 20 30 DHEDMO N#Cc1c(F)cccc1C[NH2+][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000602009154 1040850685 /nfs/dbraw/zinc/85/06/85/1040850685.db2.gz WMJLPDJQZZSJER-MOPGFXCFSA-N 1 1 310.372 3.707 20 30 DHEDMO COc1cccc(C[N@@H+](C[C@H](C)CCC#N)C[C@@H]2CCCO2)c1 ZINC000602455220 1041029778 /nfs/dbraw/zinc/02/97/78/1041029778.db2.gz PLTHLUWSNDEOSF-APWZRJJASA-N 1 1 316.445 3.616 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)n1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000602452354 1041030365 /nfs/dbraw/zinc/03/03/65/1041030365.db2.gz HWAHZFBARBIBDS-FXAWDEMLSA-N 1 1 321.424 3.553 20 30 DHEDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C#N)n2)cc1 ZINC000602434826 1041033301 /nfs/dbraw/zinc/03/33/01/1041033301.db2.gz FNHDHHWYQGPCMA-LJQANCHMSA-N 1 1 307.397 3.689 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602439614 1041034424 /nfs/dbraw/zinc/03/44/24/1041034424.db2.gz OIEICJXJDBNEBH-IBGZPJMESA-N 1 1 305.425 3.517 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](c1nccn1C)C1CC1 ZINC000602443205 1041036710 /nfs/dbraw/zinc/03/67/10/1041036710.db2.gz HOSLAUWAPHKAKJ-SFHVURJKSA-N 1 1 308.429 3.655 20 30 DHEDMO C[C@@H]1SCC[N@H+](Cc2cccc(C#N)n2)[C@@H]1c1ccccc1 ZINC000602471033 1041045483 /nfs/dbraw/zinc/04/54/83/1041045483.db2.gz BUHYJASUIBRFPI-KSSFIOAISA-N 1 1 309.438 3.632 20 30 DHEDMO C[C@@H]1SCC[N@@H+](Cc2cccc(C#N)n2)[C@@H]1c1ccccc1 ZINC000602471033 1041045496 /nfs/dbraw/zinc/04/54/96/1041045496.db2.gz BUHYJASUIBRFPI-KSSFIOAISA-N 1 1 309.438 3.632 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc(F)c1N ZINC000602481635 1041053039 /nfs/dbraw/zinc/05/30/39/1041053039.db2.gz HDKKPBMIKGIAHP-FUHWJXTLSA-N 1 1 309.388 3.680 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc(F)c1N ZINC000602481635 1041053053 /nfs/dbraw/zinc/05/30/53/1041053053.db2.gz HDKKPBMIKGIAHP-FUHWJXTLSA-N 1 1 309.388 3.680 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000602483013 1041054865 /nfs/dbraw/zinc/05/48/65/1041054865.db2.gz IHHNVEUXLAFMOA-CJNGLKHVSA-N 1 1 324.371 3.601 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000602483013 1041054879 /nfs/dbraw/zinc/05/48/79/1041054879.db2.gz IHHNVEUXLAFMOA-CJNGLKHVSA-N 1 1 324.371 3.601 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NCc3cccc(C#N)n3)cc2)C1 ZINC000602482596 1041054909 /nfs/dbraw/zinc/05/49/09/1041054909.db2.gz FLVHXURUOPJIDQ-INIZCTEOSA-N 1 1 320.440 3.797 20 30 DHEDMO N#Cc1cccc(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)n1 ZINC000602515433 1041064071 /nfs/dbraw/zinc/06/40/71/1041064071.db2.gz YATQPPQCCGPSCM-OAHLLOKOSA-N 1 1 315.829 3.933 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000446841926 1041075224 /nfs/dbraw/zinc/07/52/24/1041075224.db2.gz CAFSBOSSPOCZMH-UHFFFAOYSA-N 1 1 324.424 3.824 20 30 DHEDMO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602568879 1041098749 /nfs/dbraw/zinc/09/87/49/1041098749.db2.gz OVIXIPCROFYELZ-OAHLLOKOSA-N 1 1 309.413 3.729 20 30 DHEDMO Cc1cc(NCc2cccc(C#N)n2)c[nH+]c1N1CCCC[C@@H]1C ZINC000602605383 1041124362 /nfs/dbraw/zinc/12/43/62/1041124362.db2.gz IXIUQYFFTVXQPD-HNNXBMFYSA-N 1 1 321.428 3.648 20 30 DHEDMO CC1(C)CC(=NOCC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000761267569 1041125204 /nfs/dbraw/zinc/12/52/04/1041125204.db2.gz SRSMWVIHSVWEBV-UHFFFAOYSA-N 1 1 300.324 3.606 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000602611526 1041125242 /nfs/dbraw/zinc/12/52/42/1041125242.db2.gz FDRSMESYKALWDB-OLMNPRSZSA-N 1 1 304.409 3.917 20 30 DHEDMO C[C@H](C#N)CNC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000602607262 1041125311 /nfs/dbraw/zinc/12/53/11/1041125311.db2.gz IBLNLQNFNCAYHN-XLIONFOSSA-N 1 1 313.489 3.674 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCc2ccc(Br)cc2C1 ZINC000602655780 1041144773 /nfs/dbraw/zinc/14/47/73/1041144773.db2.gz VOPANJZXOXPNGU-LBPRGKRZSA-N 1 1 307.235 3.747 20 30 DHEDMO C[N@@H+](CC1(CC#N)CC1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000602808606 1041230208 /nfs/dbraw/zinc/23/02/08/1041230208.db2.gz MPQMXTRGQGEDHW-SJORKVTESA-N 1 1 302.393 3.671 20 30 DHEDMO N#CCC1(C[N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000602838291 1041253144 /nfs/dbraw/zinc/25/31/44/1041253144.db2.gz BCTIXPUJMTXUNS-CQSZACIVSA-N 1 1 319.246 3.932 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602887577 1041288400 /nfs/dbraw/zinc/28/84/00/1041288400.db2.gz OJOKJNXMXXCXJK-MRXNPFEDSA-N 1 1 308.429 3.749 20 30 DHEDMO C[N@H+](Cc1nc2cc(C(F)(F)F)ccc2[nH]1)[C@H]1CC[C@H](C#N)C1 ZINC000602893698 1041297067 /nfs/dbraw/zinc/29/70/67/1041297067.db2.gz SIJRBDWWPNMVQT-JQWIXIFHSA-N 1 1 322.334 3.706 20 30 DHEDMO C[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2[nH]1)[C@H]1CC[C@H](C#N)C1 ZINC000602893698 1041297122 /nfs/dbraw/zinc/29/71/22/1041297122.db2.gz SIJRBDWWPNMVQT-JQWIXIFHSA-N 1 1 322.334 3.706 20 30 DHEDMO C[N@@H+](Cc1ccc(Br)cc1F)[C@H]1CC[C@H](C#N)C1 ZINC000602926395 1041306739 /nfs/dbraw/zinc/30/67/39/1041306739.db2.gz PLQLHRJFYRFWKJ-GWCFXTLKSA-N 1 1 311.198 3.712 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1cccc2ccccc21)[C@@H]1CCC[C@@H]1C#N ZINC000602979773 1041330127 /nfs/dbraw/zinc/33/01/27/1041330127.db2.gz HWFDTVPBKPIZIC-VQIMIIECSA-N 1 1 321.424 3.792 20 30 DHEDMO CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H]1CCc2ccccc2C1 ZINC000598587946 1041348081 /nfs/dbraw/zinc/34/80/81/1041348081.db2.gz XMMQSHDQAPRQLC-RBUKOAKNSA-N 1 1 314.473 3.557 20 30 DHEDMO CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H]1CCc2ccccc2C1 ZINC000598587947 1041348990 /nfs/dbraw/zinc/34/89/90/1041348990.db2.gz XMMQSHDQAPRQLC-RTBURBONSA-N 1 1 314.473 3.557 20 30 DHEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598592558 1041351065 /nfs/dbraw/zinc/35/10/65/1041351065.db2.gz MFKIWPSROQFZAI-CJNGLKHVSA-N 1 1 308.853 3.504 20 30 DHEDMO C[N@@H+](CCc1cccc2ccccc21)C[C@@H](O)CC(C)(C)C#N ZINC000598591756 1041351443 /nfs/dbraw/zinc/35/14/43/1041351443.db2.gz ZSIDRNFWGXTTPD-SFHVURJKSA-N 1 1 310.441 3.615 20 30 DHEDMO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598592025 1041351744 /nfs/dbraw/zinc/35/17/44/1041351744.db2.gz DWDLRMJIRLIJEZ-CEXWTWQISA-N 1 1 314.473 3.864 20 30 DHEDMO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598588350 1041352000 /nfs/dbraw/zinc/35/20/00/1041352000.db2.gz JGRBDUADHHAXQN-YJBOKZPZSA-N 1 1 300.446 3.588 20 30 DHEDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598595817 1041353325 /nfs/dbraw/zinc/35/33/25/1041353325.db2.gz WIXOZRWMBLMUQB-CHWSQXEVSA-N 1 1 317.458 3.590 20 30 DHEDMO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598619498 1041361302 /nfs/dbraw/zinc/36/13/02/1041361302.db2.gz DDUYFDLMOJUUTB-WBVHZDCISA-N 1 1 304.409 3.572 20 30 DHEDMO CCc1ccc([C@@H]2CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C2)cc1 ZINC000598615950 1041361398 /nfs/dbraw/zinc/36/13/98/1041361398.db2.gz HIPHCPNBVHIIOA-RTBURBONSA-N 1 1 314.473 3.729 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000598622951 1041363650 /nfs/dbraw/zinc/36/36/50/1041363650.db2.gz PMDLMBQXDIJULN-IAGOWNOFSA-N 1 1 318.436 3.523 20 30 DHEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093405887 335000660 /nfs/dbraw/zinc/00/06/60/335000660.db2.gz LNNRQUDJVIDICZ-AWEZNQCLSA-N 1 1 319.518 3.713 20 30 DHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000055927871 184001363 /nfs/dbraw/zinc/00/13/63/184001363.db2.gz PSKQMXPICGVKQZ-HNNXBMFYSA-N 1 1 317.458 3.603 20 30 DHEDMO Cc1cnc(C(C)(C)[NH2+]CC#Cc2ccc(Cl)cc2)s1 ZINC000183947460 335053978 /nfs/dbraw/zinc/05/39/78/335053978.db2.gz SKCVZAKYPHJOTQ-UHFFFAOYSA-N 1 1 304.846 3.981 20 30 DHEDMO N#CC1(C[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000308892452 335058254 /nfs/dbraw/zinc/05/82/54/335058254.db2.gz XPFZXWIAVYFIKS-UHFFFAOYSA-N 1 1 305.628 3.557 20 30 DHEDMO CC(=O)Nc1ccn([C@@H]2CC[N@H+]([C@@H](C)c3ccccc3F)C2)n1 ZINC000328630661 257263126 /nfs/dbraw/zinc/26/31/26/257263126.db2.gz QCQUYRDEMOXGAN-GXTWGEPZSA-N 1 1 316.380 3.638 20 30 DHEDMO CC(=O)Nc1ccn([C@@H]2CC[N@H+]([C@H](C)c3ccccc3F)C2)n1 ZINC000328630664 257263379 /nfs/dbraw/zinc/26/33/79/257263379.db2.gz QCQUYRDEMOXGAN-TZMCWYRMSA-N 1 1 316.380 3.638 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnc([C@H](C)O)s1)Cc1ccccc1 ZINC000289643638 335062161 /nfs/dbraw/zinc/06/21/61/335062161.db2.gz LFBLOBGXESEARR-AWEZNQCLSA-N 1 1 302.443 3.775 20 30 DHEDMO C=C(C)C[N@H+](Cc1cnc([C@H](C)O)s1)Cc1ccccc1 ZINC000289643638 335062163 /nfs/dbraw/zinc/06/21/63/335062163.db2.gz LFBLOBGXESEARR-AWEZNQCLSA-N 1 1 302.443 3.775 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000289483687 335063900 /nfs/dbraw/zinc/06/39/00/335063900.db2.gz BAZLTIVCGPCCAK-LJQANCHMSA-N 1 1 319.452 3.580 20 30 DHEDMO C[C@H](Nc1snc(Cl)c1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273041868 130085885 /nfs/dbraw/zinc/08/58/85/130085885.db2.gz WHROXAXVFKNNNE-QWRGUYRKSA-N 1 1 324.881 3.733 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC000340213347 131198847 /nfs/dbraw/zinc/19/88/47/131198847.db2.gz WNXFNPOFADSROP-XCLNPWKQSA-N 1 1 312.457 3.710 20 30 DHEDMO N#Cc1ccc(C[N@H+](CC[C@@H](O)c2ccccc2)C2CC2)cc1 ZINC000285957303 131212781 /nfs/dbraw/zinc/21/27/81/131212781.db2.gz KKJSWTYWXWNNLS-HXUWFJFHSA-N 1 1 306.409 3.646 20 30 DHEDMO CCC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000120857999 132146828 /nfs/dbraw/zinc/14/68/28/132146828.db2.gz RMLTWOUIKYFJPC-ZFWWWQNUSA-N 1 1 317.433 3.607 20 30 DHEDMO CCC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000120857999 132146830 /nfs/dbraw/zinc/14/68/30/132146830.db2.gz RMLTWOUIKYFJPC-ZFWWWQNUSA-N 1 1 317.433 3.607 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccccc1C(=O)N(C)C ZINC000417717132 335071082 /nfs/dbraw/zinc/07/10/82/335071082.db2.gz MPTICUBRMCLBHP-UHFFFAOYSA-N 1 1 308.425 3.577 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1OC ZINC000290563604 335072618 /nfs/dbraw/zinc/07/26/18/335072618.db2.gz SMLRRPHCDAGVOB-UHFFFAOYSA-N 1 1 324.424 3.820 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1cc(-c2cnn(C)c2C)no1 ZINC000184570054 335079271 /nfs/dbraw/zinc/07/92/71/335079271.db2.gz OHWNASOIYWEROC-UHFFFAOYSA-N 1 1 302.422 3.562 20 30 DHEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000480516030 435381117 /nfs/dbraw/zinc/38/11/17/435381117.db2.gz SIXIJIPPJSBYAJ-CYBMUJFWSA-N 1 1 306.841 3.673 20 30 DHEDMO N#CC1(C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000538388840 331509274 /nfs/dbraw/zinc/50/92/74/331509274.db2.gz HIJIDFPIDAJNPM-KRWDZBQOSA-N 1 1 310.372 3.839 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000520042048 332030963 /nfs/dbraw/zinc/03/09/63/332030963.db2.gz FGLYKHNNSXRBSS-IBGZPJMESA-N 1 1 324.399 3.783 20 30 DHEDMO C[N@@H+](CCC(C)(C)C#N)Cc1cc(Br)cs1 ZINC000087595345 332034517 /nfs/dbraw/zinc/03/45/17/332034517.db2.gz URAFVPJHDZOEOE-UHFFFAOYSA-N 1 1 301.253 3.882 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc2ccccc2c1 ZINC000569423687 332080117 /nfs/dbraw/zinc/08/01/17/332080117.db2.gz RMKLNTMUSKFWGV-OALUTQOASA-N 1 1 311.425 3.620 20 30 DHEDMO Cc1cc(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)ccc1C#N ZINC000518621516 332099119 /nfs/dbraw/zinc/09/91/19/332099119.db2.gz WUBWZBTXURECIT-FQEVSTJZSA-N 1 1 317.436 3.504 20 30 DHEDMO Cc1ccsc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000091792479 332112311 /nfs/dbraw/zinc/11/23/11/332112311.db2.gz AXOBIGOEIDBBPW-UHFFFAOYSA-N 1 1 311.454 3.641 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+](CCCC)[C@H](C)c2ccccc2)C1=O ZINC000410340026 332113256 /nfs/dbraw/zinc/11/32/56/332113256.db2.gz VXCWAMWEJZJBCJ-SJLPKXTDSA-N 1 1 300.446 3.637 20 30 DHEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2c2cccc3ccccc32)C1=O ZINC000410343897 332113521 /nfs/dbraw/zinc/11/35/21/332113521.db2.gz TXUPGODXCNVJAJ-PMACEKPBSA-N 1 1 320.436 3.764 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@H]2C)cc1OCCCC#N ZINC000091860326 332113607 /nfs/dbraw/zinc/11/36/07/332113607.db2.gz XEUASZIHFKELJC-LSDHHAIUSA-N 1 1 302.418 3.608 20 30 DHEDMO CCCCOc1ccc(C[N@H+](CC)C[C@H](C)C#N)cc1OC ZINC000091983656 332116752 /nfs/dbraw/zinc/11/67/52/332116752.db2.gz UCYZANSLFKALTG-OAHLLOKOSA-N 1 1 304.434 3.856 20 30 DHEDMO CCCCOc1ccc(C[N@@H+](CC)C[C@H](C)C#N)cc1OC ZINC000091983656 332116753 /nfs/dbraw/zinc/11/67/53/332116753.db2.gz UCYZANSLFKALTG-OAHLLOKOSA-N 1 1 304.434 3.856 20 30 DHEDMO Cc1ccc(C[C@@H](C)[N@@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000410378136 332120742 /nfs/dbraw/zinc/12/07/42/332120742.db2.gz KWWZOAMIMUXHSG-GOSISDBHSA-N 1 1 314.473 3.958 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2cccc(C)c2C)C1=O ZINC000410387398 332122622 /nfs/dbraw/zinc/12/26/22/332122622.db2.gz NGCFEQCCDJZDNG-RTBURBONSA-N 1 1 312.457 3.617 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000410390795 332123085 /nfs/dbraw/zinc/12/30/85/332123085.db2.gz RRWZXPZOVNLSOD-VBQJREDUSA-N 1 1 320.864 3.551 20 30 DHEDMO C[C@H]1SCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1C ZINC000427021071 332165826 /nfs/dbraw/zinc/16/58/26/332165826.db2.gz IFBLHVAHNWYUIB-CHWSQXEVSA-N 1 1 313.388 3.883 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C)cc1OCCCC#N ZINC000092762577 332209045 /nfs/dbraw/zinc/20/90/45/332209045.db2.gz WSMXCHDRSNZVNZ-HZPDHXFCSA-N 1 1 316.445 3.998 20 30 DHEDMO N#CCCCC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000102846479 332230469 /nfs/dbraw/zinc/23/04/69/332230469.db2.gz WKLWYSYRHWDDAA-MRXNPFEDSA-N 1 1 310.401 3.957 20 30 DHEDMO Cc1cccc(NCCNc2cccc(C(F)F)c2C#N)[nH+]1 ZINC000564667943 332281245 /nfs/dbraw/zinc/28/12/45/332281245.db2.gz NYYPNGCKYUJQQI-UHFFFAOYSA-N 1 1 302.328 3.723 20 30 DHEDMO C=C(C)C[N@@H+](CC)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000152536695 332302444 /nfs/dbraw/zinc/30/24/44/332302444.db2.gz VCGMNNUXOWUBBI-CYBMUJFWSA-N 1 1 301.390 3.704 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000152536695 332302446 /nfs/dbraw/zinc/30/24/46/332302446.db2.gz VCGMNNUXOWUBBI-CYBMUJFWSA-N 1 1 301.390 3.704 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000152983673 332332398 /nfs/dbraw/zinc/33/23/98/332332398.db2.gz FSGSOQPRGNOOEM-OAHLLOKOSA-N 1 1 317.433 3.594 20 30 DHEDMO COc1ccc2c(c1)CCC[N@H+](Cc1ccc(C#N)cc1OC)C2 ZINC000560383506 332335905 /nfs/dbraw/zinc/33/59/05/332335905.db2.gz REZQQYYHVVJUGZ-UHFFFAOYSA-N 1 1 322.408 3.524 20 30 DHEDMO CCC[N@@H+](Cc1cc(C#N)cs1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000560554265 332359062 /nfs/dbraw/zinc/35/90/62/332359062.db2.gz WXAAUCOQQQNFOQ-BZUAXINKSA-N 1 1 304.459 3.645 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1 ZINC000560611678 332368193 /nfs/dbraw/zinc/36/81/93/332368193.db2.gz NXPBTDWTGSHISQ-IBGZPJMESA-N 1 1 313.441 3.642 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2CCC(C)(C)C#N)cc1OC ZINC000119865209 332379326 /nfs/dbraw/zinc/37/93/26/332379326.db2.gz ZOQBIAFCSQHAAB-HNNXBMFYSA-N 1 1 302.418 3.781 20 30 DHEDMO N#CCCCC[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000120076439 332382544 /nfs/dbraw/zinc/38/25/44/332382544.db2.gz RAIQWAHHLDSHSW-UHFFFAOYSA-N 1 1 305.853 3.542 20 30 DHEDMO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000580343644 335116503 /nfs/dbraw/zinc/11/65/03/335116503.db2.gz UGAVNVHWKMFVDS-QMTMVMCOSA-N 1 1 323.440 3.687 20 30 DHEDMO CC(C)[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CC1 ZINC000174816640 333091001 /nfs/dbraw/zinc/09/10/01/333091001.db2.gz DTPSEZYYGJYFBZ-UHFFFAOYSA-N 1 1 309.413 3.610 20 30 DHEDMO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)s1 ZINC000175859298 333105666 /nfs/dbraw/zinc/10/56/66/333105666.db2.gz WBXHTXOROAQXIB-CQSZACIVSA-N 1 1 314.458 3.652 20 30 DHEDMO COc1ccc(C[N@@H+](C(C)C)C2CC2)cc1OCCCC#N ZINC000179485462 333151231 /nfs/dbraw/zinc/15/12/31/333151231.db2.gz JSUPTMGGQJWYCZ-UHFFFAOYSA-N 1 1 302.418 3.751 20 30 DHEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CCCC1 ZINC000179796783 333155506 /nfs/dbraw/zinc/15/55/06/333155506.db2.gz HQDKYNDBVDFOHD-UHFFFAOYSA-N 1 1 308.429 3.838 20 30 DHEDMO C[C@@H](CC#N)[N@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000180075733 333158157 /nfs/dbraw/zinc/15/81/57/333158157.db2.gz INLMZJOJCIBYGF-NSHDSACASA-N 1 1 318.218 3.731 20 30 DHEDMO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000180075733 333158158 /nfs/dbraw/zinc/15/81/58/333158158.db2.gz INLMZJOJCIBYGF-NSHDSACASA-N 1 1 318.218 3.731 20 30 DHEDMO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)CC(C)(C)CCC#N ZINC000180115248 333158698 /nfs/dbraw/zinc/15/86/98/333158698.db2.gz BDNHIAPZHTVOCW-UHFFFAOYSA-N 1 1 307.825 3.540 20 30 DHEDMO C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2C#N)C[N@H+]1C1CC1 ZINC000387908909 333184714 /nfs/dbraw/zinc/18/47/14/333184714.db2.gz RLRKKHNDJMCFFY-GWCFXTLKSA-N 1 1 309.335 3.614 20 30 DHEDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000183714273 333187238 /nfs/dbraw/zinc/18/72/38/333187238.db2.gz NMDCCQKRQWFSOZ-MRXNPFEDSA-N 1 1 308.429 3.624 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000184246809 333194187 /nfs/dbraw/zinc/19/41/87/333194187.db2.gz ROKKPUJZSNIEDA-SFHVURJKSA-N 1 1 300.446 3.650 20 30 DHEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294963704 335129508 /nfs/dbraw/zinc/12/95/08/335129508.db2.gz MUOBTQAWOJDIHJ-WMZOPIPTSA-N 1 1 314.473 3.710 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCC1CCOCC1 ZINC000368632928 333272145 /nfs/dbraw/zinc/27/21/45/333272145.db2.gz PLZYWWOQHISQCA-UXHICEINSA-N 1 1 312.457 3.965 20 30 DHEDMO C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1nc(-c2cccc(F)c2)no1 ZINC000194755140 333316003 /nfs/dbraw/zinc/31/60/03/333316003.db2.gz GCUZCRAFHVILKX-TYNCELHUSA-N 1 1 314.364 3.609 20 30 DHEDMO CC[C@H](C)C[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000111253863 333328165 /nfs/dbraw/zinc/32/81/65/333328165.db2.gz DLQOMDMVKMMNGV-HNNXBMFYSA-N 1 1 315.461 3.528 20 30 DHEDMO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2SC)CC1 ZINC000111259781 333328543 /nfs/dbraw/zinc/32/85/43/333328543.db2.gz VVJKBXMNCYNCOA-ZDUSSCGKSA-N 1 1 304.459 3.634 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000188617810 333380708 /nfs/dbraw/zinc/38/07/08/333380708.db2.gz DPXVBCOSDIZHNJ-AUUYWEPGSA-N 1 1 311.429 3.960 20 30 DHEDMO COCCSc1ccc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000112543572 333465342 /nfs/dbraw/zinc/46/53/42/333465342.db2.gz TWBLNCOVJJTWJZ-LSDHHAIUSA-N 1 1 317.458 3.519 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2nccn2CC)cc1 ZINC000296587611 335144777 /nfs/dbraw/zinc/14/47/77/335144777.db2.gz UTIATFGFXDNQNG-AWEZNQCLSA-N 1 1 319.836 3.885 20 30 DHEDMO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1ccc(C#N)cn1 ZINC000565175152 333648925 /nfs/dbraw/zinc/64/89/25/333648925.db2.gz UAKNRTOPQCITPO-UHFFFAOYSA-N 1 1 315.804 3.640 20 30 DHEDMO CC(C)(C)C1=CC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000270366843 334012193 /nfs/dbraw/zinc/01/21/93/334012193.db2.gz LVRPNNDIEJPSMW-UHFFFAOYSA-N 1 1 322.412 3.786 20 30 DHEDMO CC(C)(C)C1=CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000270366843 334012195 /nfs/dbraw/zinc/01/21/95/334012195.db2.gz LVRPNNDIEJPSMW-UHFFFAOYSA-N 1 1 322.412 3.786 20 30 DHEDMO Cc1cc(Br)ccc1C[NH+]1CCC(C)(C#N)CC1 ZINC000272499347 334035624 /nfs/dbraw/zinc/03/56/24/334035624.db2.gz DKJORKOZQQDFJV-UHFFFAOYSA-N 1 1 307.235 3.883 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000343555510 335172034 /nfs/dbraw/zinc/17/20/34/335172034.db2.gz CRXFIQRVJPJBBE-KSSFIOAISA-N 1 1 312.438 3.776 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000343555510 335172035 /nfs/dbraw/zinc/17/20/35/335172035.db2.gz CRXFIQRVJPJBBE-KSSFIOAISA-N 1 1 312.438 3.776 20 30 DHEDMO N#C[C@@H]1CC[C@H]([NH+]2CCN(Cc3cccc4ccccc43)CC2)C1 ZINC000278753014 334100626 /nfs/dbraw/zinc/10/06/26/334100626.db2.gz XEWIXJWZELDGCG-XLIONFOSSA-N 1 1 319.452 3.650 20 30 DHEDMO COC(=O)c1coc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000278898714 334103304 /nfs/dbraw/zinc/10/33/04/334103304.db2.gz ZGDCDNKZGSFZAY-CJNGLKHVSA-N 1 1 312.369 3.762 20 30 DHEDMO C=CC[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1F ZINC000281138803 334123229 /nfs/dbraw/zinc/12/32/29/334123229.db2.gz ALTROJNVBOXLHA-UHFFFAOYSA-N 1 1 316.420 3.914 20 30 DHEDMO COc1ccc([C@H](C)[N@@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000281897365 334129316 /nfs/dbraw/zinc/12/93/16/334129316.db2.gz FIIDUGFYURKPEI-INIZCTEOSA-N 1 1 316.445 3.789 20 30 DHEDMO C[C@H](c1ccccc1F)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281983295 334130167 /nfs/dbraw/zinc/13/01/67/334130167.db2.gz MCAHWAHKLMKALT-OAHLLOKOSA-N 1 1 304.409 3.919 20 30 DHEDMO N#CC1(CCC[N@H+]2CCC[C@H]2c2cccs2)CCOCC1 ZINC000282043589 334130795 /nfs/dbraw/zinc/13/07/95/334130795.db2.gz RCRKYGDJQXCSLD-HNNXBMFYSA-N 1 1 304.459 3.986 20 30 DHEDMO COc1ccc(C[N@@H+](CCCC#N)[C@H](C)C2CC2)c(OC)c1 ZINC000282417629 334134466 /nfs/dbraw/zinc/13/44/66/334134466.db2.gz JDBHHYPJNVKQIS-CQSZACIVSA-N 1 1 302.418 3.608 20 30 DHEDMO Cn1cc(-c2ccc(C[N@H+](CCC#N)CC(C)(C)C)s2)cn1 ZINC000282708703 334136610 /nfs/dbraw/zinc/13/66/10/334136610.db2.gz AVTFQHKJTSCNDV-UHFFFAOYSA-N 1 1 316.474 3.910 20 30 DHEDMO Cn1cc(-c2ccc(C[N@@H+](CCC#N)CC(C)(C)C)s2)cn1 ZINC000282708703 334136611 /nfs/dbraw/zinc/13/66/11/334136611.db2.gz AVTFQHKJTSCNDV-UHFFFAOYSA-N 1 1 316.474 3.910 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000289266690 334164055 /nfs/dbraw/zinc/16/40/55/334164055.db2.gz GAWAZZFKHDPOKR-QYZOEREBSA-N 1 1 312.457 3.821 20 30 DHEDMO CCC(CC)[N@@H+](CC)CC(=O)Nc1ccccc1SCC#N ZINC000289380176 334164765 /nfs/dbraw/zinc/16/47/65/334164765.db2.gz JDICOLDBOXFCKR-UHFFFAOYSA-N 1 1 319.474 3.751 20 30 DHEDMO CN(C)CC[N@@H+](Cc1ccc(F)cc1)CC(C)(C)CCC#N ZINC000289461845 334165555 /nfs/dbraw/zinc/16/55/55/334165555.db2.gz OKKYWIAZIPBQOK-UHFFFAOYSA-N 1 1 305.441 3.519 20 30 DHEDMO C[NH+](C)CCN(Cc1ccc(F)cc1)CC(C)(C)CCC#N ZINC000289461845 334165556 /nfs/dbraw/zinc/16/55/56/334165556.db2.gz OKKYWIAZIPBQOK-UHFFFAOYSA-N 1 1 305.441 3.519 20 30 DHEDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000289957977 334169718 /nfs/dbraw/zinc/16/97/18/334169718.db2.gz QPUYAFIUFYJZHQ-CQSZACIVSA-N 1 1 319.474 3.751 20 30 DHEDMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@H]4CC[C@H](C#N)C4)CC3)c2c1 ZINC000292787611 334192406 /nfs/dbraw/zinc/19/24/06/334192406.db2.gz LDNNEYRGTVFDGB-HOCLYGCPSA-N 1 1 321.424 3.958 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)cc1C#N ZINC000295094345 334218484 /nfs/dbraw/zinc/21/84/84/334218484.db2.gz UFFNZRKVJHDHHW-SMDDNHRTSA-N 1 1 312.335 3.730 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](CC(C)C)c2ccccc2)C1=O ZINC000467524434 334266558 /nfs/dbraw/zinc/26/65/58/334266558.db2.gz YVIJBVVAFNHZQL-RTBURBONSA-N 1 1 314.473 3.535 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2cccc3ccccc32)C1=O ZINC000531949940 334303840 /nfs/dbraw/zinc/30/38/40/334303840.db2.gz VVTCTXAHLBWEMW-DNVCBOLYSA-N 1 1 308.425 3.620 20 30 DHEDMO C=CCNC(=O)C[N@H+](CCC)[C@@H](C)c1cc2ccccc2o1 ZINC000053643590 334341511 /nfs/dbraw/zinc/34/15/11/334341511.db2.gz VWSPRRNVLYROBJ-AWEZNQCLSA-N 1 1 300.402 3.508 20 30 DHEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2ccccc2C#N)cc1 ZINC000534904323 334347816 /nfs/dbraw/zinc/34/78/16/334347816.db2.gz VFPRZAKXNVFXCV-MRXNPFEDSA-N 1 1 308.425 3.877 20 30 DHEDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccccc2C#N)cc1 ZINC000534904321 334347936 /nfs/dbraw/zinc/34/79/36/334347936.db2.gz VFPRZAKXNVFXCV-INIZCTEOSA-N 1 1 308.425 3.877 20 30 DHEDMO COC(=O)c1cccc(C[N@H+](C)[C@H](C)c2ccccc2)c1C#N ZINC000535226416 334380672 /nfs/dbraw/zinc/38/06/72/334380672.db2.gz OCRIHTKAFUQUFT-CQSZACIVSA-N 1 1 308.381 3.538 20 30 DHEDMO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2ccccc2)c1C#N ZINC000535226416 334380673 /nfs/dbraw/zinc/38/06/73/334380673.db2.gz OCRIHTKAFUQUFT-CQSZACIVSA-N 1 1 308.381 3.538 20 30 DHEDMO COc1ccc2c(c1OC)CC[N@H+]([C@@H](C)c1ccc(C#N)cc1)C2 ZINC000340989251 334398115 /nfs/dbraw/zinc/39/81/15/334398115.db2.gz DGAFYNVBSMGDGH-AWEZNQCLSA-N 1 1 322.408 3.695 20 30 DHEDMO COc1ccc2c(c1OC)CC[N@@H+]([C@@H](C)c1ccc(C#N)cc1)C2 ZINC000340989251 334398116 /nfs/dbraw/zinc/39/81/16/334398116.db2.gz DGAFYNVBSMGDGH-AWEZNQCLSA-N 1 1 322.408 3.695 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000341999995 334499828 /nfs/dbraw/zinc/49/98/28/334499828.db2.gz XHSAFCZBHSYZHZ-DYVFJYSZSA-N 1 1 322.399 3.595 20 30 DHEDMO C=C1CC[NH+]([C@H](C)C(=O)N[C@H](CCC)c2ccccc2)CC1 ZINC000341986491 334503038 /nfs/dbraw/zinc/50/30/38/334503038.db2.gz VVAJNOXOUNUGRK-SJLPKXTDSA-N 1 1 300.446 3.685 20 30 DHEDMO CCC[N@@H+](CC)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000343647206 335184699 /nfs/dbraw/zinc/18/46/99/335184699.db2.gz MNOIODUXXUVSMT-KRWDZBQOSA-N 1 1 315.461 3.671 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344134698 335220660 /nfs/dbraw/zinc/22/06/60/335220660.db2.gz YZZJOPJASIRHPE-INIZCTEOSA-N 1 1 319.408 3.640 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344101531 335223155 /nfs/dbraw/zinc/22/31/55/335223155.db2.gz FGAFFLLYKXARGE-INIZCTEOSA-N 1 1 319.408 3.640 20 30 DHEDMO C[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000346093002 335374237 /nfs/dbraw/zinc/37/42/37/335374237.db2.gz ZTFOATRZEUVCLE-HUUCEWRRSA-N 1 1 303.425 3.612 20 30 DHEDMO N#CC1(F)CC[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000348718876 335604633 /nfs/dbraw/zinc/60/46/33/335604633.db2.gz YHHQRZMMSUNCHO-UHFFFAOYSA-N 1 1 318.783 3.558 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCC2 ZINC000351583939 336047154 /nfs/dbraw/zinc/04/71/54/336047154.db2.gz QNAINDCJSACDAC-UHFFFAOYSA-N 1 1 320.436 3.696 20 30 DHEDMO Cc1nc2c(cccc2C(=O)NCC[N@H+]2CCCC(C)(C)C2)o1 ZINC000329928499 336096432 /nfs/dbraw/zinc/09/64/32/336096432.db2.gz MKOJTRZHZCWXJY-UHFFFAOYSA-N 1 1 315.417 3.563 20 30 DHEDMO Cc1cccc2oc(CCNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)nc21 ZINC000329942328 336097741 /nfs/dbraw/zinc/09/77/41/336097741.db2.gz HEBSFUUVSIROSO-OKILXGFUSA-N 1 1 315.417 3.508 20 30 DHEDMO N#Cc1ccc(C2(C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)CC2)cc1 ZINC000329962598 336100440 /nfs/dbraw/zinc/10/04/40/336100440.db2.gz SFAWWBQLCKBUAO-SFHVURJKSA-N 1 1 323.440 3.563 20 30 DHEDMO Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000330184680 336121788 /nfs/dbraw/zinc/12/17/88/336121788.db2.gz QXJABTIZXPJCCL-WFASDCNBSA-N 1 1 312.417 3.703 20 30 DHEDMO O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000330299249 336137740 /nfs/dbraw/zinc/13/77/40/336137740.db2.gz MEXZJAUHIUZSCE-HNNXBMFYSA-N 1 1 316.401 3.800 20 30 DHEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000330308419 336146421 /nfs/dbraw/zinc/14/64/21/336146421.db2.gz SSUDHDKXEFWMBP-NSHDSACASA-N 1 1 310.467 3.688 20 30 DHEDMO N#CC1(F)CC[NH+](Cc2c(Cl)ccc3cccnc32)CC1 ZINC000352490850 336221768 /nfs/dbraw/zinc/22/17/68/336221768.db2.gz MCHFVOGPYHDSFJ-UHFFFAOYSA-N 1 1 303.768 3.716 20 30 DHEDMO C[N@H+](Cc1ccc(Br)cc1)Cc1ccccc1C#N ZINC000042268123 336238216 /nfs/dbraw/zinc/23/82/16/336238216.db2.gz FSLWIVHRERGXJN-UHFFFAOYSA-N 1 1 315.214 3.953 20 30 DHEDMO C[N@@H+](Cc1ccc(Br)cc1)Cc1ccccc1C#N ZINC000042268123 336238217 /nfs/dbraw/zinc/23/82/17/336238217.db2.gz FSLWIVHRERGXJN-UHFFFAOYSA-N 1 1 315.214 3.953 20 30 DHEDMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H]1CCCO1 ZINC000103480585 336241957 /nfs/dbraw/zinc/24/19/57/336241957.db2.gz YUTKVKYLJSJYAE-IBGZPJMESA-N 1 1 306.409 3.836 20 30 DHEDMO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cn1 ZINC000526287188 336243626 /nfs/dbraw/zinc/24/36/26/336243626.db2.gz DJRIJWIPEZQBQS-LBPRGKRZSA-N 1 1 302.809 3.840 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNCc2ccc(C#N)cc2F)C1 ZINC000532586832 336256593 /nfs/dbraw/zinc/25/65/93/336256593.db2.gz HTAFTSCPOLXDOY-GASCZTMLSA-N 1 1 317.452 3.543 20 30 DHEDMO CCSc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352830565 336268348 /nfs/dbraw/zinc/26/83/48/336268348.db2.gz BFRWGARMOWQMTO-NSHDSACASA-N 1 1 303.456 3.978 20 30 DHEDMO C[C@H]1C[C@@H](CCNc2ncccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000532797319 336271695 /nfs/dbraw/zinc/27/16/95/336271695.db2.gz UVHAPUMCGSOYRJ-FUHWJXTLSA-N 1 1 320.440 3.666 20 30 DHEDMO N#Cc1csc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000352838910 336273860 /nfs/dbraw/zinc/27/38/60/336273860.db2.gz HBWMDBKVPNXJPT-MRXNPFEDSA-N 1 1 301.390 3.785 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1c(F)cc(C#N)cc1F ZINC000301130916 336291422 /nfs/dbraw/zinc/29/14/22/336291422.db2.gz YGUDCPBJXMAZLQ-CYBMUJFWSA-N 1 1 307.388 3.903 20 30 DHEDMO N#Cc1ccc(NCC[N@H+]2CCc3sccc3C2)cc1Cl ZINC000301247148 336296628 /nfs/dbraw/zinc/29/66/28/336296628.db2.gz OLUWPAPZTGKAQW-UHFFFAOYSA-N 1 1 317.845 3.743 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cccc(F)c2C#N)C1 ZINC000301297545 336299446 /nfs/dbraw/zinc/29/94/46/336299446.db2.gz SQTWKBOEULKWLX-HOTGVXAUSA-N 1 1 315.436 3.788 20 30 DHEDMO C[C@H](CNc1c(C#N)cnc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000301373570 336303141 /nfs/dbraw/zinc/30/31/41/336303141.db2.gz QNQSTSCBVOSJDW-HUUCEWRRSA-N 1 1 308.429 3.639 20 30 DHEDMO C[N@H+]1CCC[C@@H](CNc2cccc(C#N)n2)[C@@H]1c1cccs1 ZINC000301438508 336306751 /nfs/dbraw/zinc/30/67/51/336306751.db2.gz STXJOUZSXQHSEA-SUMWQHHRSA-N 1 1 312.442 3.510 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3ccc(C#N)nc3)cc2)C1 ZINC000301529970 336312796 /nfs/dbraw/zinc/31/27/96/336312796.db2.gz RLDHPAXDPYAEPG-MRXNPFEDSA-N 1 1 320.440 3.797 20 30 DHEDMO CCCC[N@@H+](C)CC1CCN(c2ccc(F)cc2C#N)CC1 ZINC000301541648 336313644 /nfs/dbraw/zinc/31/36/44/336313644.db2.gz SGPFOOYQUBUBMB-UHFFFAOYSA-N 1 1 303.425 3.646 20 30 DHEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cccc(C#N)c1F)CCC2 ZINC000352883841 336324261 /nfs/dbraw/zinc/32/42/61/336324261.db2.gz KKSRSXKLZBYAPD-HNNXBMFYSA-N 1 1 315.417 3.972 20 30 DHEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cccc(C#N)c1F)CCC2 ZINC000352883841 336324262 /nfs/dbraw/zinc/32/42/62/336324262.db2.gz KKSRSXKLZBYAPD-HNNXBMFYSA-N 1 1 315.417 3.972 20 30 DHEDMO N#Cc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000301702527 336324382 /nfs/dbraw/zinc/32/43/82/336324382.db2.gz GWXWDLLGTYUKMZ-UHFFFAOYSA-N 1 1 311.816 3.534 20 30 DHEDMO C[C@@H]1C[N@H+](CCCCNc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000301710893 336324927 /nfs/dbraw/zinc/32/49/27/336324927.db2.gz HVOYAOSXZDXAMV-OKILXGFUSA-N 1 1 321.852 3.513 20 30 DHEDMO C[N@@H+](CCNc1ccc2cc(C#N)ccc2n1)Cc1ccccc1 ZINC000301981281 336341238 /nfs/dbraw/zinc/34/12/38/336341238.db2.gz QGKBINXVZSDUDC-UHFFFAOYSA-N 1 1 316.408 3.650 20 30 DHEDMO CC(=O)c1ccc(C#N)c(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000302107563 336348897 /nfs/dbraw/zinc/34/88/97/336348897.db2.gz OEAWZJFPZYSZES-QLFBSQMISA-N 1 1 313.445 3.539 20 30 DHEDMO CC(=O)c1ccc(C#N)cc1N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000302111209 336348950 /nfs/dbraw/zinc/34/89/50/336348950.db2.gz AJTPLPNOFIFPNC-OAHLLOKOSA-N 1 1 321.424 3.693 20 30 DHEDMO CC1=CC[N@@H+](CCNc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000302138975 336350417 /nfs/dbraw/zinc/35/04/17/336350417.db2.gz FZUMZSXMEJPGLA-UHFFFAOYSA-N 1 1 309.335 3.641 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]2C2CCC2)cc(OC)c1O ZINC000352932796 336378173 /nfs/dbraw/zinc/37/81/73/336378173.db2.gz BMQWFXUTFIZKNV-QGZVFWFLSA-N 1 1 301.430 3.894 20 30 DHEDMO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH+]1CCC(C#N)CC1 ZINC000352953698 336379196 /nfs/dbraw/zinc/37/91/96/336379196.db2.gz BICLAIKLUBSCCG-UHFFFAOYSA-N 1 1 314.820 3.570 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cccc(-n2cccn2)c1 ZINC000353005137 336381756 /nfs/dbraw/zinc/38/17/56/336381756.db2.gz SYHLDZRDDOEHHS-UHFFFAOYSA-N 1 1 307.397 3.696 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccccc1C(=O)N(C)C ZINC000418022187 336386723 /nfs/dbraw/zinc/38/67/23/336386723.db2.gz AIASXFGLYGVVPG-UHFFFAOYSA-N 1 1 322.452 3.967 20 30 DHEDMO CC1(C#N)CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000356933229 336566468 /nfs/dbraw/zinc/56/64/68/336566468.db2.gz LTQHQNSMDXNUBQ-UHFFFAOYSA-N 1 1 301.409 3.552 20 30 DHEDMO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(C#N)cc1F ZINC000358566995 336634919 /nfs/dbraw/zinc/63/49/19/336634919.db2.gz IQAVHEXAVFHGCF-CQSZACIVSA-N 1 1 311.404 3.610 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1ccc(F)c(F)c1 ZINC000367527235 336824292 /nfs/dbraw/zinc/82/42/92/336824292.db2.gz MYACQJKPIDTCLK-WBVHZDCISA-N 1 1 303.356 3.972 20 30 DHEDMO CCCCCCCC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000116667505 336843591 /nfs/dbraw/zinc/84/35/91/336843591.db2.gz XZBLSDSLFFXLQL-UHFFFAOYSA-N 1 1 317.477 3.836 20 30 DHEDMO Cc1[nH+]c(CNc2ccc(Cl)cc2C#N)c2n1CCCC2 ZINC000371436349 336904085 /nfs/dbraw/zinc/90/40/85/336904085.db2.gz YZMNSILHCYRQCB-UHFFFAOYSA-N 1 1 300.793 3.665 20 30 DHEDMO N#Cc1cc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)ccc1F ZINC000371954166 336917412 /nfs/dbraw/zinc/91/74/12/336917412.db2.gz MXAWZZFIKGFVBL-FQEVSTJZSA-N 1 1 317.367 3.972 20 30 DHEDMO C#Cc1cccc(NCc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1 ZINC000375126088 337003970 /nfs/dbraw/zinc/00/39/70/337003970.db2.gz PESYKXQBYDVWHS-UHFFFAOYSA-N 1 1 311.454 3.503 20 30 DHEDMO Cc1ccncc1C1=CC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000375157221 337004843 /nfs/dbraw/zinc/00/48/43/337004843.db2.gz DUKANPYQNZLIBS-UHFFFAOYSA-N 1 1 306.384 3.670 20 30 DHEDMO Cc1ccncc1C1=CC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000375157221 337004844 /nfs/dbraw/zinc/00/48/44/337004844.db2.gz DUKANPYQNZLIBS-UHFFFAOYSA-N 1 1 306.384 3.670 20 30 DHEDMO COc1ccc(C[N@H+]2CC=C(c3cnccc3C)CC2)cc1C#N ZINC000375162435 337004982 /nfs/dbraw/zinc/00/49/82/337004982.db2.gz XLJXKFWSIOGCSG-UHFFFAOYSA-N 1 1 319.408 3.560 20 30 DHEDMO COc1ccc(C[N@@H+]2CC=C(c3cnccc3C)CC2)cc1C#N ZINC000375162435 337004983 /nfs/dbraw/zinc/00/49/83/337004983.db2.gz XLJXKFWSIOGCSG-UHFFFAOYSA-N 1 1 319.408 3.560 20 30 DHEDMO N#CC1(CCC[N@H+]2CC[C@@H](Cc3ccccc3)C2)CCOCC1 ZINC000375612853 337014599 /nfs/dbraw/zinc/01/45/99/337014599.db2.gz OUYJYRGVWKPPNC-IBGZPJMESA-N 1 1 312.457 3.652 20 30 DHEDMO N#Cc1c(F)ccc(C[N@@H+]2CCC[C@]3(CCCCO3)C2)c1Cl ZINC000376026510 337025576 /nfs/dbraw/zinc/02/55/76/337025576.db2.gz AXTZDRIHCNFZJQ-QGZVFWFLSA-N 1 1 322.811 3.886 20 30 DHEDMO N#Cc1c(F)ccc(C[N@H+]2CCC[C@]3(CCCCO3)C2)c1Cl ZINC000376026510 337025577 /nfs/dbraw/zinc/02/55/77/337025577.db2.gz AXTZDRIHCNFZJQ-QGZVFWFLSA-N 1 1 322.811 3.886 20 30 DHEDMO C[N@H+]1CCC[C@@H](CNc2cc(C#N)ccn2)[C@H]1c1cccs1 ZINC000376449700 337033706 /nfs/dbraw/zinc/03/37/06/337033706.db2.gz QINAIQZVJRFNJA-YOEHRIQHSA-N 1 1 312.442 3.510 20 30 DHEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1nccn1-c1ccccc1 ZINC000376644629 337038949 /nfs/dbraw/zinc/03/89/49/337038949.db2.gz IQQAOJNNAUOIRS-HNNXBMFYSA-N 1 1 302.381 3.595 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000376956097 337044110 /nfs/dbraw/zinc/04/41/10/337044110.db2.gz QRSAIYOQTAEJIR-SFHVURJKSA-N 1 1 314.473 3.632 20 30 DHEDMO CCCCCCC[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000377407688 337052057 /nfs/dbraw/zinc/05/20/57/337052057.db2.gz BBUBYEGZUZCEFF-RDJZCZTQSA-N 1 1 319.493 3.867 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000377565445 337055254 /nfs/dbraw/zinc/05/52/54/337055254.db2.gz KZKUVAXEPZWANH-UTKZUKDTSA-N 1 1 320.436 3.993 20 30 DHEDMO C#Cc1ccc(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)cc1 ZINC000377867628 337063006 /nfs/dbraw/zinc/06/30/06/337063006.db2.gz AENMEKQMKDVXIJ-INIZCTEOSA-N 1 1 301.393 3.704 20 30 DHEDMO C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000378514688 337074731 /nfs/dbraw/zinc/07/47/31/337074731.db2.gz FIFAXAWZLYTTKA-NDXORKPFSA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@H]([NH2+]C[C@@H]1CCN(C)[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000378514688 337074732 /nfs/dbraw/zinc/07/47/32/337074732.db2.gz FIFAXAWZLYTTKA-NDXORKPFSA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@H](NC[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000378514688 337074733 /nfs/dbraw/zinc/07/47/33/337074733.db2.gz FIFAXAWZLYTTKA-NDXORKPFSA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@H](NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000378514688 337074734 /nfs/dbraw/zinc/07/47/34/337074734.db2.gz FIFAXAWZLYTTKA-NDXORKPFSA-N 1 1 319.452 3.902 20 30 DHEDMO CC(C)[N@@H+]1CCc2nc(/C=C3\Cc4ccccc4C3=O)sc2C1 ZINC000378644300 337077581 /nfs/dbraw/zinc/07/75/81/337077581.db2.gz XNXYSRQGLKSNEG-GXDHUFHOSA-N 1 1 324.449 3.732 20 30 DHEDMO CC(C)[N@H+]1CCc2nc(/C=C3\Cc4ccccc4C3=O)sc2C1 ZINC000378644300 337077582 /nfs/dbraw/zinc/07/75/82/337077582.db2.gz XNXYSRQGLKSNEG-GXDHUFHOSA-N 1 1 324.449 3.732 20 30 DHEDMO C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccc(OCC#N)cc1 ZINC000193929350 337080666 /nfs/dbraw/zinc/08/06/66/337080666.db2.gz SLTVNXDZJQTZPZ-OAHLLOKOSA-N 1 1 315.461 3.502 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000360037902 337084168 /nfs/dbraw/zinc/08/41/68/337084168.db2.gz SLDWHHVJMYGRIT-HOCLYGCPSA-N 1 1 300.402 3.682 20 30 DHEDMO C[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000170956190 337085538 /nfs/dbraw/zinc/08/55/38/337085538.db2.gz WBQTXYCPIIWSSR-HNNXBMFYSA-N 1 1 319.408 3.506 20 30 DHEDMO C[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000170956187 337085552 /nfs/dbraw/zinc/08/55/52/337085552.db2.gz WBQTXYCPIIWSSR-OAHLLOKOSA-N 1 1 319.408 3.506 20 30 DHEDMO N#Cc1ccc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c(F)c1 ZINC000173836099 337138604 /nfs/dbraw/zinc/13/86/04/337138604.db2.gz RTXFIELRFUXZJV-QGZVFWFLSA-N 1 1 302.393 3.621 20 30 DHEDMO CC(C)(C#N)CCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000174863942 337145072 /nfs/dbraw/zinc/14/50/72/337145072.db2.gz CJFSJHOSSJYFTB-SFHVURJKSA-N 1 1 305.510 3.904 20 30 DHEDMO C=CCc1cc(C[N@H+](C)Cc2scnc2C)cc(OC)c1O ZINC000179426872 337167841 /nfs/dbraw/zinc/16/78/41/337167841.db2.gz PRXJOLBERXTRBS-UHFFFAOYSA-N 1 1 318.442 3.526 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)Cc2scnc2C)cc(OC)c1O ZINC000179426872 337167842 /nfs/dbraw/zinc/16/78/42/337167842.db2.gz PRXJOLBERXTRBS-UHFFFAOYSA-N 1 1 318.442 3.526 20 30 DHEDMO CCC[N@@H+](Cc1cnn2ccccc12)Cc1ccc(C#N)cc1 ZINC000179458709 337169586 /nfs/dbraw/zinc/16/95/86/337169586.db2.gz OMPHPXSTCHZQHO-UHFFFAOYSA-N 1 1 304.397 3.618 20 30 DHEDMO Cn1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c(-c2cccs2)n1 ZINC000179682078 337170958 /nfs/dbraw/zinc/17/09/58/337170958.db2.gz VXDJADVLYHIIEZ-UHFFFAOYSA-N 1 1 322.437 3.652 20 30 DHEDMO C#CCCCCC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000180394849 337174011 /nfs/dbraw/zinc/17/40/11/337174011.db2.gz VVLCQCXBVKUEPI-SFHVURJKSA-N 1 1 318.505 3.683 20 30 DHEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(-c2ccncc2)cc1 ZINC000180888607 337178359 /nfs/dbraw/zinc/17/83/59/337178359.db2.gz PFLPYJSQJUHHPA-CVEARBPZSA-N 1 1 304.397 3.843 20 30 DHEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(-c2ccncc2)cc1 ZINC000180888591 337178361 /nfs/dbraw/zinc/17/83/61/337178361.db2.gz PFLPYJSQJUHHPA-HOTGVXAUSA-N 1 1 304.397 3.843 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1cccnc1 ZINC000181632786 337183508 /nfs/dbraw/zinc/18/35/08/337183508.db2.gz ZOCFWTJUFOTISR-LLVKDONJSA-N 1 1 316.202 3.567 20 30 DHEDMO CC[N@@H+](CC(C)(C)CCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184801439 337200134 /nfs/dbraw/zinc/20/01/34/337200134.db2.gz ZEIDIXCCFMVXKX-IBGZPJMESA-N 1 1 313.489 3.913 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000582846303 337207427 /nfs/dbraw/zinc/20/74/27/337207427.db2.gz ICLRVDDPLBTAJV-LJQANCHMSA-N 1 1 321.424 3.754 20 30 DHEDMO CCC1CCC([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000321321475 337257852 /nfs/dbraw/zinc/25/78/52/337257852.db2.gz OBGAIYYXVGEUOJ-UHFFFAOYSA-N 1 1 313.445 3.787 20 30 DHEDMO CC(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000321807165 337293501 /nfs/dbraw/zinc/29/35/01/337293501.db2.gz VPBXJWNZQWBCGD-KRWDZBQOSA-N 1 1 313.445 3.645 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1N1CCCC1 ZINC000191851436 337301677 /nfs/dbraw/zinc/30/16/77/337301677.db2.gz ADIVEURELLLHFC-UHFFFAOYSA-N 1 1 323.415 3.930 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)cc1F ZINC000192105122 337302931 /nfs/dbraw/zinc/30/29/31/337302931.db2.gz YJBWFTIDFXZHFT-FQEVSTJZSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1ccc(F)c(C[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000195323270 337467691 /nfs/dbraw/zinc/46/76/91/337467691.db2.gz KFEJBHCGMYOWAT-UHFFFAOYSA-N 1 1 302.393 3.621 20 30 DHEDMO C[C@@H]1C[C@@H](Nc2c(C#N)cnc3c(Cl)cccc32)CC[N@H+]1C ZINC000516967976 338014505 /nfs/dbraw/zinc/01/45/05/338014505.db2.gz XJUSKCTUYYHBRX-YPMHNXCESA-N 1 1 314.820 3.654 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]32)c(Br)c1 ZINC000426522514 338033980 /nfs/dbraw/zinc/03/39/80/338033980.db2.gz KHFNEPRYEUJXBO-IUODEOHRSA-N 1 1 305.219 3.695 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000428247725 338044324 /nfs/dbraw/zinc/04/43/24/338044324.db2.gz VCURNCPOGPGPTJ-HNNXBMFYSA-N 1 1 312.363 3.901 20 30 DHEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428374015 338049220 /nfs/dbraw/zinc/04/92/20/338049220.db2.gz MRYITVSHGFAQRG-YJYMSZOUSA-N 1 1 310.372 3.521 20 30 DHEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428374015 338049221 /nfs/dbraw/zinc/04/92/21/338049221.db2.gz MRYITVSHGFAQRG-YJYMSZOUSA-N 1 1 310.372 3.521 20 30 DHEDMO C=CC[N@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000428391327 338049876 /nfs/dbraw/zinc/04/98/76/338049876.db2.gz QJDWDVRXAFKLHE-UHFFFAOYSA-N 1 1 309.335 3.568 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]32)cc1OCCCC#N ZINC000428455163 338052709 /nfs/dbraw/zinc/05/27/09/338052709.db2.gz JEKYICSBBKMHSM-DLBZAZTESA-N 1 1 314.429 3.752 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000428853347 338062513 /nfs/dbraw/zinc/06/25/13/338062513.db2.gz YLDXBVHJBUTZEV-QGZVFWFLSA-N 1 1 300.446 3.659 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)CCC(=O)Nc1ccc(Cl)cc1 ZINC000429046657 338069912 /nfs/dbraw/zinc/06/99/12/338069912.db2.gz NMWITMFCYKEOOF-UHFFFAOYSA-N 1 1 321.852 3.930 20 30 DHEDMO CCCC[N@@H+](C)CC1CCN(c2nccc(C#N)c2Cl)CC1 ZINC000429190305 338072875 /nfs/dbraw/zinc/07/28/75/338072875.db2.gz FBAZHRHXAYIZTI-UHFFFAOYSA-N 1 1 320.868 3.555 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429229432 338074023 /nfs/dbraw/zinc/07/40/23/338074023.db2.gz CRCVULREFKMTQQ-HOTGVXAUSA-N 1 1 323.415 3.969 20 30 DHEDMO CCOc1cc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)ccc1OC(F)F ZINC000429722394 338088489 /nfs/dbraw/zinc/08/84/89/338088489.db2.gz IHGCEFTZFMUZGI-GXTWGEPZSA-N 1 1 324.371 3.811 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2cnnn2Cc2ccccc2)CCCC1(C)C ZINC000430079894 338095105 /nfs/dbraw/zinc/09/51/05/338095105.db2.gz STNGVUHKHFRSDN-IBGZPJMESA-N 1 1 324.472 3.893 20 30 DHEDMO C[C@]12CC[N@@H+](Cc3cccc(OCCCC#N)c3)C[C@H]1C2(F)F ZINC000430093709 338096111 /nfs/dbraw/zinc/09/61/11/338096111.db2.gz GZAZUIBBWMSPCL-SJORKVTESA-N 1 1 320.383 3.846 20 30 DHEDMO COCC[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCCSC1 ZINC000433205965 338185935 /nfs/dbraw/zinc/18/59/35/338185935.db2.gz MQMWIAPIUFCIKK-QGZVFWFLSA-N 1 1 323.889 3.536 20 30 DHEDMO C=C(C)[C@H]1OCC[C@H]1CNc1cc(C)[nH+]c2c(OC)cccc12 ZINC000435593601 338243109 /nfs/dbraw/zinc/24/31/09/338243109.db2.gz RMVCSIMDSRDYLQ-IFXJQAMLSA-N 1 1 312.413 3.945 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000437566579 338313637 /nfs/dbraw/zinc/31/36/37/338313637.db2.gz GEBSEGGOIXHDKE-SFHVURJKSA-N 1 1 303.833 3.584 20 30 DHEDMO C[N@@H+](Cc1c[nH]nc1-c1ccsc1)Cc1ccc(C#N)cc1 ZINC000437576376 338314069 /nfs/dbraw/zinc/31/40/69/338314069.db2.gz HXGNMOOTROJYBI-UHFFFAOYSA-N 1 1 308.410 3.642 20 30 DHEDMO C=CCCC1(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437865517 338323776 /nfs/dbraw/zinc/32/37/76/338323776.db2.gz VFGZKVYZKSIRTI-QGZVFWFLSA-N 1 1 304.478 3.646 20 30 DHEDMO OCCC[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCc2ccccc21 ZINC000438125861 338333550 /nfs/dbraw/zinc/33/35/50/338333550.db2.gz JBIBMPBIFWAIDS-NRFANRHFSA-N 1 1 323.411 3.549 20 30 DHEDMO CC(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000438486287 338345840 /nfs/dbraw/zinc/34/58/40/338345840.db2.gz GPPLGNMMJFPHMM-CQSZACIVSA-N 1 1 319.836 3.518 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440551774 338390025 /nfs/dbraw/zinc/39/00/25/338390025.db2.gz OOGWZBQPTGLHPU-HBFSDRIKSA-N 1 1 310.441 3.728 20 30 DHEDMO COc1cc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)ccc1C#N ZINC000440822913 338398353 /nfs/dbraw/zinc/39/83/53/338398353.db2.gz FCZWBLUKYBQVEC-UHFFFAOYSA-N 1 1 315.442 3.665 20 30 DHEDMO CC(C)COC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000441167428 338403880 /nfs/dbraw/zinc/40/38/80/338403880.db2.gz MFVXWLXFMPCGSI-UHFFFAOYSA-N 1 1 305.849 3.829 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]Cc1ccnn1C1CCCC1 ZINC000449149015 338597026 /nfs/dbraw/zinc/59/70/26/338597026.db2.gz LZVVIDRWVSYERH-UHFFFAOYSA-N 1 1 311.429 3.853 20 30 DHEDMO C=CCCOCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449202837 338602199 /nfs/dbraw/zinc/60/21/99/338602199.db2.gz GUXYZFZVRRNBLV-UHFFFAOYSA-N 1 1 310.526 3.848 20 30 DHEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)o1 ZINC000449368647 338618252 /nfs/dbraw/zinc/61/82/52/338618252.db2.gz LTNBEZYAJFCIFM-UHFFFAOYSA-N 1 1 322.286 3.829 20 30 DHEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CCC2)ccc1OC(C)C ZINC000450663316 338697004 /nfs/dbraw/zinc/69/70/04/338697004.db2.gz KZVLNVUDBFYBNK-CQSZACIVSA-N 1 1 302.418 3.827 20 30 DHEDMO CC(C)[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000459293578 339019700 /nfs/dbraw/zinc/01/97/00/339019700.db2.gz BPELQURHZSJBPW-SFHVURJKSA-N 1 1 309.369 3.953 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)CC1CCC(F)(F)CC1 ZINC000459461427 339030416 /nfs/dbraw/zinc/03/04/16/339030416.db2.gz JLLUCMQBBKJWLH-UHFFFAOYSA-N 1 1 313.388 3.976 20 30 DHEDMO CCO[C@@H]1C[C@@H]([NH2+][C@@H](CC)CC#N)[C@H]1Sc1ccccc1 ZINC000459475499 339031331 /nfs/dbraw/zinc/03/13/31/339031331.db2.gz GKDVOEXAJXOFJC-RKTXRCNFSA-N 1 1 304.459 3.607 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459550507 339035323 /nfs/dbraw/zinc/03/53/23/339035323.db2.gz UAKOCDRWEFMOCM-PXNSSMCTSA-N 1 1 311.425 3.954 20 30 DHEDMO CC#CCC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000462346335 339076228 /nfs/dbraw/zinc/07/62/28/339076228.db2.gz DGDDMAWDPCZURV-CJNGLKHVSA-N 1 1 322.246 3.624 20 30 DHEDMO CC#CCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000462346335 339076229 /nfs/dbraw/zinc/07/62/29/339076229.db2.gz DGDDMAWDPCZURV-CJNGLKHVSA-N 1 1 322.246 3.624 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000463083983 339105156 /nfs/dbraw/zinc/10/51/56/339105156.db2.gz TWBAEHCHKBMFAU-SFTDATJTSA-N 1 1 320.436 3.810 20 30 DHEDMO N#C[C@H]1CCC[C@@H]([NH2+]CC2(N3CCCCC3)CCCCC2)C1 ZINC000463283659 339113293 /nfs/dbraw/zinc/11/32/93/339113293.db2.gz OAGVHEWRFGIPDU-ZWKOTPCHSA-N 1 1 303.494 3.847 20 30 DHEDMO C=CC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467291295 339230044 /nfs/dbraw/zinc/23/00/44/339230044.db2.gz LQAMQAZCFVZWPW-UHFFFAOYSA-N 1 1 310.235 3.616 20 30 DHEDMO C=CCC[N@@H+](C)Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000467381969 339235687 /nfs/dbraw/zinc/23/56/87/339235687.db2.gz NZOZKTUMMGNGTN-UHFFFAOYSA-N 1 1 311.216 3.582 20 30 DHEDMO C=CCC[N@H+](C)Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000467381969 339235688 /nfs/dbraw/zinc/23/56/88/339235688.db2.gz NZOZKTUMMGNGTN-UHFFFAOYSA-N 1 1 311.216 3.582 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000468000374 339250815 /nfs/dbraw/zinc/25/08/15/339250815.db2.gz NNFRDLMTMDQZST-QUCCMNQESA-N 1 1 314.473 3.712 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)ccc1F ZINC000468273826 339258632 /nfs/dbraw/zinc/25/86/32/339258632.db2.gz DCBIGMMJCMPITJ-SFHVURJKSA-N 1 1 310.372 3.741 20 30 DHEDMO C[N@@H+](CCOc1cccc(Cl)c1)Cc1ccc(F)c(C#N)c1 ZINC000468278805 339258767 /nfs/dbraw/zinc/25/87/67/339258767.db2.gz VMXMZWBJIYWLNR-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@H](CCOC)C2)cc1 ZINC000468699434 339269036 /nfs/dbraw/zinc/26/90/36/339269036.db2.gz VLULFOQVQRPJDK-QGZVFWFLSA-N 1 1 303.446 3.890 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c(F)c1 ZINC000469460635 339290318 /nfs/dbraw/zinc/29/03/18/339290318.db2.gz JKSHEKXTOSLTFH-AWEZNQCLSA-N 1 1 316.326 3.965 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c(F)c1 ZINC000469460635 339290319 /nfs/dbraw/zinc/29/03/19/339290319.db2.gz JKSHEKXTOSLTFH-AWEZNQCLSA-N 1 1 316.326 3.965 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000469477924 339290951 /nfs/dbraw/zinc/29/09/51/339290951.db2.gz LRIYDUKXJRYORM-PKOBYXMFSA-N 1 1 316.489 3.862 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000470001412 339307838 /nfs/dbraw/zinc/30/78/38/339307838.db2.gz XAGRWSZZOALUCZ-AWEZNQCLSA-N 1 1 312.335 3.730 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000472771598 339377282 /nfs/dbraw/zinc/37/72/82/339377282.db2.gz OBTJQMGLPKZVBN-INIZCTEOSA-N 1 1 313.363 3.997 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](CC)Cc1ccccc1Br ZINC000472783845 339377601 /nfs/dbraw/zinc/37/76/01/339377601.db2.gz DUYOUWVJMLNRGD-CQSZACIVSA-N 1 1 312.251 3.598 20 30 DHEDMO CC#CCC[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000482162578 339625202 /nfs/dbraw/zinc/62/52/02/339625202.db2.gz IBYOOBCFADTQHR-UHFFFAOYSA-N 1 1 300.427 3.534 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1ccc(Cl)cc1 ZINC000491814055 339884057 /nfs/dbraw/zinc/88/40/57/339884057.db2.gz CGXAAVLAQFFDQR-SFHVURJKSA-N 1 1 312.800 3.763 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000496070553 339997714 /nfs/dbraw/zinc/99/77/14/339997714.db2.gz VSDUXNRHRRAPNC-CQSZACIVSA-N 1 1 303.406 3.815 20 30 DHEDMO CC(C)[N@@H+](CCC#N)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496730028 340011480 /nfs/dbraw/zinc/01/14/80/340011480.db2.gz IEDZOPGETJPVCP-HOTGVXAUSA-N 1 1 323.481 3.646 20 30 DHEDMO C[N@@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC(C)(C)C#N ZINC000496812692 340013519 /nfs/dbraw/zinc/01/35/19/340013519.db2.gz UJMSFIYWNRMUFT-HNNXBMFYSA-N 1 1 323.481 3.505 20 30 DHEDMO CC[N@@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@@H](C)C#N ZINC000497010064 340018122 /nfs/dbraw/zinc/01/81/22/340018122.db2.gz VTLCLYMNFIDANL-HOTGVXAUSA-N 1 1 323.481 3.505 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000497062374 340019404 /nfs/dbraw/zinc/01/94/04/340019404.db2.gz JTEDHXXDVWDXIX-HNNXBMFYSA-N 1 1 323.481 3.648 20 30 DHEDMO COc1ccc(C#N)cc1N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000500968172 340071078 /nfs/dbraw/zinc/07/10/78/340071078.db2.gz FQTONYCTTRYSMQ-YJBOKZPZSA-N 1 1 321.424 3.814 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC000501418926 340080497 /nfs/dbraw/zinc/08/04/97/340080497.db2.gz MJTMKRPSUOFYDM-LRDDRELGSA-N 1 1 324.262 3.523 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000502443343 340103750 /nfs/dbraw/zinc/10/37/50/340103750.db2.gz FJAXRKVVWRBIJP-INIZCTEOSA-N 1 1 324.424 3.710 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000502443343 340103751 /nfs/dbraw/zinc/10/37/51/340103751.db2.gz FJAXRKVVWRBIJP-INIZCTEOSA-N 1 1 324.424 3.710 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000502442842 340103801 /nfs/dbraw/zinc/10/38/01/340103801.db2.gz CZNZGZSZFUZJRP-OKZBNKHCSA-N 1 1 314.473 3.568 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000502442842 340103802 /nfs/dbraw/zinc/10/38/02/340103802.db2.gz CZNZGZSZFUZJRP-OKZBNKHCSA-N 1 1 314.473 3.568 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](CCOc3ccc(F)cc3)CC2)cc1 ZINC000502540059 340107236 /nfs/dbraw/zinc/10/72/36/340107236.db2.gz JQXXWUNQRZEKSZ-UHFFFAOYSA-N 1 1 322.383 3.865 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2CC)ccc1OC ZINC000505597529 340172191 /nfs/dbraw/zinc/17/21/91/340172191.db2.gz RPVGSCONAKHJLA-NVXWUHKLSA-N 1 1 319.445 3.649 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2CC)ccc1OC ZINC000505597529 340172192 /nfs/dbraw/zinc/17/21/92/340172192.db2.gz RPVGSCONAKHJLA-NVXWUHKLSA-N 1 1 319.445 3.649 20 30 DHEDMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2cnc3ccc(C#N)cn23)cc1 ZINC000507193134 340212432 /nfs/dbraw/zinc/21/24/32/340212432.db2.gz NGHNLKFAISJDNY-OAHLLOKOSA-N 1 1 304.397 3.707 20 30 DHEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCC1CCCCC1 ZINC000507588553 340225635 /nfs/dbraw/zinc/22/56/35/340225635.db2.gz UZFNKDLKOVOWAS-INIZCTEOSA-N 1 1 319.493 3.620 20 30 DHEDMO COc1c(C)cc(C[N@H+](C)Cc2ccc(C#N)cc2F)cc1C ZINC000507619340 340226438 /nfs/dbraw/zinc/22/64/38/340226438.db2.gz RNVBKRNZNPJKGW-UHFFFAOYSA-N 1 1 312.388 3.955 20 30 DHEDMO COc1c(C)cc(C[N@@H+](C)Cc2ccc(C#N)cc2F)cc1C ZINC000507619340 340226439 /nfs/dbraw/zinc/22/64/39/340226439.db2.gz RNVBKRNZNPJKGW-UHFFFAOYSA-N 1 1 312.388 3.955 20 30 DHEDMO CC[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCO1 ZINC000507786316 340231397 /nfs/dbraw/zinc/23/13/97/340231397.db2.gz YLJZDPAHMMPSBZ-RSPOEFSDSA-N 1 1 312.457 3.963 20 30 DHEDMO Cc1c(C[NH+]2CCN(CC#N)CC2)sc2c1cccc2Cl ZINC000508151457 340239820 /nfs/dbraw/zinc/23/98/20/340239820.db2.gz ZOFNLBDJSRGTCL-UHFFFAOYSA-N 1 1 319.861 3.504 20 30 DHEDMO CCN(c1cc[nH+]c(NCc2ccc(C#N)cc2)n1)C1CCCC1 ZINC000508502872 340245005 /nfs/dbraw/zinc/24/50/05/340245005.db2.gz LZXAHEJJGJWBGX-UHFFFAOYSA-N 1 1 321.428 3.729 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@H]1c1ccccc1 ZINC000508529768 340245876 /nfs/dbraw/zinc/24/58/76/340245876.db2.gz TWBAEHCHKBMFAU-RTWAWAEBSA-N 1 1 320.436 3.810 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCO2 ZINC000508626506 340248677 /nfs/dbraw/zinc/24/86/77/340248677.db2.gz WKXLMWNQBNVSDA-UHFFFAOYSA-N 1 1 306.409 3.905 20 30 DHEDMO Cc1cc(F)ccc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000509111137 340261610 /nfs/dbraw/zinc/26/16/10/340261610.db2.gz OKQURFOMQDTZRN-UHFFFAOYSA-N 1 1 323.415 3.718 20 30 DHEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCCOC1 ZINC000510113085 340289359 /nfs/dbraw/zinc/28/93/59/340289359.db2.gz OMZWQBXSQCRMMO-LJQANCHMSA-N 1 1 306.409 3.836 20 30 DHEDMO C=CC[N@H+](CCc1nc2ccccc2n1C)Cc1ccccc1F ZINC000510233874 340293620 /nfs/dbraw/zinc/29/36/20/340293620.db2.gz RISNWIBRLWDJDM-UHFFFAOYSA-N 1 1 323.415 3.943 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)CC ZINC000303447818 340325903 /nfs/dbraw/zinc/32/59/03/340325903.db2.gz HMVHODDEXQSHTQ-LSDHHAIUSA-N 1 1 308.491 3.629 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000512170997 340350853 /nfs/dbraw/zinc/35/08/53/340350853.db2.gz VHKAYKARLDVWHF-XLIONFOSSA-N 1 1 311.473 3.645 20 30 DHEDMO C[C@@H]([NH2+]CC(C)(C)N1CCCCC1)c1ccc(C#N)cc1F ZINC000512628062 340369895 /nfs/dbraw/zinc/36/98/95/340369895.db2.gz CPAZFNWHQKQLOZ-CQSZACIVSA-N 1 1 303.425 3.612 20 30 DHEDMO C[C@@H]([NH2+]C[C@@]1(N(C)C)CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512634842 340370245 /nfs/dbraw/zinc/37/02/45/340370245.db2.gz FHCGMQUFESCULV-SPYBWZPUSA-N 1 1 317.452 3.858 20 30 DHEDMO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512647251 340370764 /nfs/dbraw/zinc/37/07/64/340370764.db2.gz HDFLGIKXNIUYJT-HOTGVXAUSA-N 1 1 317.452 3.860 20 30 DHEDMO C[C@H](NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512659937 340371633 /nfs/dbraw/zinc/37/16/33/340371633.db2.gz KKJKJXFUDPCBNI-CABCVRRESA-N 1 1 317.452 3.858 20 30 DHEDMO C[C@H]([NH2+]CC(C)(C)N1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512659937 340371634 /nfs/dbraw/zinc/37/16/34/340371634.db2.gz KKJKJXFUDPCBNI-CABCVRRESA-N 1 1 317.452 3.858 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000513235553 340398854 /nfs/dbraw/zinc/39/88/54/340398854.db2.gz CQLMBGYAQUBXPV-BEFAXECRSA-N 1 1 319.408 3.580 20 30 DHEDMO CCCn1c(C[NH2+]Cc2ccc(C#N)c(F)c2)nc2ccccc21 ZINC000404686192 340409666 /nfs/dbraw/zinc/40/96/66/340409666.db2.gz OQRPQUXJPBQMPL-UHFFFAOYSA-N 1 1 322.387 3.747 20 30 DHEDMO CC[C@@](C)([NH2+]Cc1cc(C#N)ccc1OC)c1nc(C)cs1 ZINC000126773976 340833258 /nfs/dbraw/zinc/83/32/58/340833258.db2.gz YWUOEZAETCYKJU-QGZVFWFLSA-N 1 1 315.442 3.747 20 30 DHEDMO COC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000539379358 340883221 /nfs/dbraw/zinc/88/32/21/340883221.db2.gz QIIAWZXBDPSVHQ-GOSISDBHSA-N 1 1 317.791 3.808 20 30 DHEDMO Cc1nc(-c2ccc(C[NH2+]C[C@H](C#N)CCC#N)cc2)cs1 ZINC000564240711 340956176 /nfs/dbraw/zinc/95/61/76/340956176.db2.gz LHEVYDORMAPTLJ-HNNXBMFYSA-N 1 1 310.426 3.652 20 30 DHEDMO C[N@@H+](CCOc1ccccc1Cl)Cc1ccc(CC#N)cc1 ZINC000542208410 341000081 /nfs/dbraw/zinc/00/00/81/341000081.db2.gz BSWZVXYYRGJVMM-UHFFFAOYSA-N 1 1 314.816 3.917 20 30 DHEDMO N#CCC1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3o2)CC1 ZINC000542883838 341025182 /nfs/dbraw/zinc/02/51/82/341025182.db2.gz QAGCFRBPQFIMPD-UHFFFAOYSA-N 1 1 323.318 3.972 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000543206463 341036658 /nfs/dbraw/zinc/03/66/58/341036658.db2.gz SRVVLBFKLHXXQV-IBGZPJMESA-N 1 1 308.400 3.956 20 30 DHEDMO C[C@H]1[N@@H+](CC#Cc2ccccc2Cl)CCC12CCOCC2 ZINC000543574833 341049358 /nfs/dbraw/zinc/04/93/58/341049358.db2.gz RBEWCOCXNVSLOQ-OAHLLOKOSA-N 1 1 303.833 3.583 20 30 DHEDMO C[C@@H]1[N@@H+](CC#Cc2ccccc2Cl)CCC12CCOCC2 ZINC000543574829 341049440 /nfs/dbraw/zinc/04/94/40/341049440.db2.gz RBEWCOCXNVSLOQ-HNNXBMFYSA-N 1 1 303.833 3.583 20 30 DHEDMO CC(C)(C#N)CC[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000130957201 341055007 /nfs/dbraw/zinc/05/50/07/341055007.db2.gz MFABUDRWWHDWHV-UHFFFAOYSA-N 1 1 323.843 3.537 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)s1 ZINC000131190234 341064651 /nfs/dbraw/zinc/06/46/51/341064651.db2.gz BKRXIXHHGSHKIY-OAHLLOKOSA-N 1 1 312.394 3.686 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)s1 ZINC000131190234 341064652 /nfs/dbraw/zinc/06/46/52/341064652.db2.gz BKRXIXHHGSHKIY-OAHLLOKOSA-N 1 1 312.394 3.686 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCOc2ccc(F)cc2)C2CC2)cc1 ZINC000544188777 341073786 /nfs/dbraw/zinc/07/37/86/341073786.db2.gz ASJUDJBQSMJLHE-UHFFFAOYSA-N 1 1 310.372 3.741 20 30 DHEDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000152627411 341076554 /nfs/dbraw/zinc/07/65/54/341076554.db2.gz HHVGJVNIUHDGHT-UZLBHIALSA-N 1 1 320.436 3.961 20 30 DHEDMO C=CCC[N@H+](Cc1cc(OC)c(OC)cc1OC)C(C)(C)C ZINC000131954840 341114158 /nfs/dbraw/zinc/11/41/58/341114158.db2.gz HFEMKAFXNNWPRC-UHFFFAOYSA-N 1 1 307.434 3.889 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc2c(cc1OC)OCO2 ZINC000546963069 341188777 /nfs/dbraw/zinc/18/87/77/341188777.db2.gz BWRLQDDUZYTJBB-UHFFFAOYSA-N 1 1 311.381 3.612 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1OC)OCO2 ZINC000546963069 341188778 /nfs/dbraw/zinc/18/87/78/341188778.db2.gz BWRLQDDUZYTJBB-UHFFFAOYSA-N 1 1 311.381 3.612 20 30 DHEDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000076345524 341205900 /nfs/dbraw/zinc/20/59/00/341205900.db2.gz ACIGMSMLXFVUGX-LJQANCHMSA-N 1 1 306.409 3.836 20 30 DHEDMO C=C(C)CN(CC)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000079170782 341254782 /nfs/dbraw/zinc/25/47/82/341254782.db2.gz QLUKEFCUHCAURV-UHFFFAOYSA-N 1 1 317.477 3.634 20 30 DHEDMO C=CCOCC[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000549341942 341291535 /nfs/dbraw/zinc/29/15/35/341291535.db2.gz FCHFIXCYEOPQLT-MRXNPFEDSA-N 1 1 305.468 3.960 20 30 DHEDMO Cc1cc(Br)cc2c1C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000549535928 341296680 /nfs/dbraw/zinc/29/66/80/341296680.db2.gz MDIGQFJHSSGVPJ-IUODEOHRSA-N 1 1 319.246 3.808 20 30 DHEDMO Cc1cc(Br)cc2c1C[N@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000549535928 341296681 /nfs/dbraw/zinc/29/66/81/341296681.db2.gz MDIGQFJHSSGVPJ-IUODEOHRSA-N 1 1 319.246 3.808 20 30 DHEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000081574233 341297318 /nfs/dbraw/zinc/29/73/18/341297318.db2.gz DQOJNZAKIGAMKA-YWZLYKJASA-N 1 1 319.408 3.580 20 30 DHEDMO C=CCOCC[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000549748163 341301917 /nfs/dbraw/zinc/30/19/17/341301917.db2.gz OFLROPOPFDPOLU-HNNXBMFYSA-N 1 1 324.262 3.516 20 30 DHEDMO CCC[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000549929486 341307132 /nfs/dbraw/zinc/30/71/32/341307132.db2.gz COICWOYMCSAAHM-XUVXKRRUSA-N 1 1 311.473 3.665 20 30 DHEDMO CCC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000549929486 341307133 /nfs/dbraw/zinc/30/71/33/341307133.db2.gz COICWOYMCSAAHM-XUVXKRRUSA-N 1 1 311.473 3.665 20 30 DHEDMO CCC[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000549929486 341307134 /nfs/dbraw/zinc/30/71/34/341307134.db2.gz COICWOYMCSAAHM-XUVXKRRUSA-N 1 1 311.473 3.665 20 30 DHEDMO CCc1ccc([C@H]2CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000564381047 341347527 /nfs/dbraw/zinc/34/75/27/341347527.db2.gz QCZZJLMKOIHFCT-IBGZPJMESA-N 1 1 307.441 3.839 20 30 DHEDMO C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248403839 341376659 /nfs/dbraw/zinc/37/66/59/341376659.db2.gz PFYIDFYOESMIAI-FCEWJHQRSA-N 1 1 311.473 3.862 20 30 DHEDMO C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248403839 341376660 /nfs/dbraw/zinc/37/66/60/341376660.db2.gz PFYIDFYOESMIAI-FCEWJHQRSA-N 1 1 311.473 3.862 20 30 DHEDMO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1Cl ZINC000552339009 341387650 /nfs/dbraw/zinc/38/76/50/341387650.db2.gz VRHOYFGGDMJPCH-ZFWWWQNUSA-N 1 1 305.853 3.737 20 30 DHEDMO CCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1Cl ZINC000552339009 341387651 /nfs/dbraw/zinc/38/76/51/341387651.db2.gz VRHOYFGGDMJPCH-ZFWWWQNUSA-N 1 1 305.853 3.737 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000249083252 341393434 /nfs/dbraw/zinc/39/34/34/341393434.db2.gz AVZIIRIVWDBTDF-JXFKEZNVSA-N 1 1 306.409 3.867 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000249083252 341393435 /nfs/dbraw/zinc/39/34/35/341393435.db2.gz AVZIIRIVWDBTDF-JXFKEZNVSA-N 1 1 306.409 3.867 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249097670 341393812 /nfs/dbraw/zinc/39/38/12/341393812.db2.gz OSBHQJFDDHTHQD-ILZDJORESA-N 1 1 314.473 3.758 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000249129625 341394446 /nfs/dbraw/zinc/39/44/46/341394446.db2.gz VQLJCRRYKHBDJQ-ZIFCJYIRSA-N 1 1 306.494 3.702 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1nnc(C2CC2)s1 ZINC000568604852 341676275 /nfs/dbraw/zinc/67/62/75/341676275.db2.gz YELYEZAKOVYLCL-INIZCTEOSA-N 1 1 324.453 3.844 20 30 DHEDMO N#Cc1csc(C[NH2+][C@H](c2ccccc2)c2ccncc2)c1 ZINC000177691052 341923919 /nfs/dbraw/zinc/92/39/19/341923919.db2.gz MCOISLCAEKUJLF-GOSISDBHSA-N 1 1 305.406 3.894 20 30 DHEDMO C[NH+](C)C[C@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000265010176 521879716 /nfs/dbraw/zinc/87/97/16/521879716.db2.gz HFAFPBDOOBZKLU-GOSISDBHSA-N 1 1 319.452 3.609 20 30 DHEDMO CN(C)C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000265010176 521879724 /nfs/dbraw/zinc/87/97/24/521879724.db2.gz HFAFPBDOOBZKLU-GOSISDBHSA-N 1 1 319.452 3.609 20 30 DHEDMO CN(C)C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000265010176 521879736 /nfs/dbraw/zinc/87/97/36/521879736.db2.gz HFAFPBDOOBZKLU-GOSISDBHSA-N 1 1 319.452 3.609 20 30 DHEDMO C[NH+](C)Cc1cc(NC(=O)c2cccc(C#N)c2)ccc1Cl ZINC000337261126 521891556 /nfs/dbraw/zinc/89/15/56/521891556.db2.gz XIKGFJXIOBHMKF-UHFFFAOYSA-N 1 1 313.788 3.526 20 30 DHEDMO COCCCOc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000131207201 523416146 /nfs/dbraw/zinc/41/61/46/523416146.db2.gz FZLIDAMWXQIVAP-UHFFFAOYSA-N 1 1 324.424 3.606 20 30 DHEDMO Cc1cc(Cl)c2ncc(C#N)c(NCC[N@H+](C)C3CC3)c2c1 ZINC000338483300 524851657 /nfs/dbraw/zinc/85/16/57/524851657.db2.gz CKDIMKBUAYHRMJ-UHFFFAOYSA-N 1 1 314.820 3.574 20 30 DHEDMO C[C@@H]([N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)C1(C)CC1 ZINC000180260954 524981447 /nfs/dbraw/zinc/98/14/47/524981447.db2.gz HPFLADIEUIVJFA-CQSZACIVSA-N 1 1 308.429 3.579 20 30 DHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000246167091 525355084 /nfs/dbraw/zinc/35/50/84/525355084.db2.gz OZDHEXDWYWLJMK-UWWQBHOKSA-N 1 1 311.429 3.540 20 30 DHEDMO C[C@@H](c1cccc(NCc2cccc(C#N)c2)c1)[NH+]1CCOCC1 ZINC000267162009 526074430 /nfs/dbraw/zinc/07/44/30/526074430.db2.gz ACEOQMLFTJPATC-INIZCTEOSA-N 1 1 321.424 3.564 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)s1 ZINC000271177898 526611267 /nfs/dbraw/zinc/61/12/67/526611267.db2.gz UPNWJMYCWXJZAS-UHFFFAOYSA-N 1 1 323.421 3.535 20 30 DHEDMO CC[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(OC)c(OC)c1 ZINC000285491514 535921366 /nfs/dbraw/zinc/92/13/66/535921366.db2.gz PKIHTPVVXQOIOV-KRWDZBQOSA-N 1 1 310.397 3.816 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CCC[C@](O)(c3ccccc3)C2)CCC1 ZINC000931177947 1032063096 /nfs/dbraw/zinc/06/30/96/1032063096.db2.gz YDTWBLLIHOGMRE-HXUWFJFHSA-N 1 1 312.457 3.834 20 30 DHEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000931189814 1032065189 /nfs/dbraw/zinc/06/51/89/1032065189.db2.gz IPZYXMARZQSMMD-HZPDHXFCSA-N 1 1 320.502 3.679 20 30 DHEDMO CC(C)(NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccc(C#N)cc1 ZINC001167964460 1013216389 /nfs/dbraw/zinc/21/63/89/1013216389.db2.gz QOVHROSNNNEAPR-IHWFROFDSA-N 1 1 323.484 3.788 20 30 DHEDMO CC(C)(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc(C#N)cc1 ZINC001167964460 1013216393 /nfs/dbraw/zinc/21/63/93/1013216393.db2.gz QOVHROSNNNEAPR-IHWFROFDSA-N 1 1 323.484 3.788 20 30 DHEDMO C=CCN(Cc1ccccc1)c1cc(N2CCCC2)nc(C)[nH+]1 ZINC001167125993 1013237494 /nfs/dbraw/zinc/23/74/94/1013237494.db2.gz GGNPCXMPZSKJDI-UHFFFAOYSA-N 1 1 308.429 3.578 20 30 DHEDMO C=CCCCCC[N@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001209422938 1013257615 /nfs/dbraw/zinc/25/76/15/1013257615.db2.gz LDOFXUVJJXCUCL-RBUKOAKNSA-N 1 1 307.478 3.783 20 30 DHEDMO C=CCCCCCC[N@@H+]1CC[C@H](Oc2ncccc2OC)C1 ZINC001209438534 1013283309 /nfs/dbraw/zinc/28/33/09/1013283309.db2.gz NDXSNMBDYSOOOU-INIZCTEOSA-N 1 1 304.434 3.680 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N1CCCC[C@@H]1CC ZINC000519507796 1013337479 /nfs/dbraw/zinc/33/74/79/1013337479.db2.gz KRMHEVWNFTUOOR-IBGZPJMESA-N 1 1 314.473 3.508 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N1CCCC[C@@H]1CC ZINC000519507796 1013337489 /nfs/dbraw/zinc/33/74/89/1013337489.db2.gz KRMHEVWNFTUOOR-IBGZPJMESA-N 1 1 314.473 3.508 20 30 DHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(O)c(F)c1 ZINC000894417572 1013351101 /nfs/dbraw/zinc/35/11/01/1013351101.db2.gz QHSJTDJHITYTCD-UHFFFAOYSA-N 1 1 317.408 3.887 20 30 DHEDMO CC[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(C#N)cc1 ZINC000578712867 1013352702 /nfs/dbraw/zinc/35/27/02/1013352702.db2.gz NAUZLOOKYQWGOM-ZWKOTPCHSA-N 1 1 301.478 3.965 20 30 DHEDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(OC)c(C#N)c2)cc1 ZINC000340157887 1013373947 /nfs/dbraw/zinc/37/39/47/1013373947.db2.gz IBWRRRNCOTUVQX-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121309133 1013524632 /nfs/dbraw/zinc/52/46/32/1013524632.db2.gz FTEAXPOJOMBKSN-GOSISDBHSA-N 1 1 306.400 3.582 20 30 DHEDMO N#Cc1cc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)ccc1F ZINC000120848123 1013528503 /nfs/dbraw/zinc/52/85/03/1013528503.db2.gz VLNJGGRXHBEMGZ-FQEVSTJZSA-N 1 1 324.399 3.569 20 30 DHEDMO Cc1cccc2c1ncc(C#N)c2N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000610274967 1013594401 /nfs/dbraw/zinc/59/44/01/1013594401.db2.gz RDSFSTUWPNZWNX-UHFFFAOYSA-N 1 1 317.396 3.522 20 30 DHEDMO CC(C)C[N@@H+](CCOCC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000519908589 1013622319 /nfs/dbraw/zinc/62/23/19/1013622319.db2.gz FZRMWSRRCROEKM-UHFFFAOYSA-N 1 1 314.351 3.595 20 30 DHEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(C)cc1 ZINC000520213143 1013679668 /nfs/dbraw/zinc/67/96/68/1013679668.db2.gz CIWCRCNTGDTPOI-UHFFFAOYSA-N 1 1 300.446 3.918 20 30 DHEDMO C=CC[N@H+](CCc1ccc2c(c1)CCO2)Cc1ccccc1F ZINC000441205019 1013688552 /nfs/dbraw/zinc/68/85/52/1013688552.db2.gz IBTFNPVOAJSMOM-UHFFFAOYSA-N 1 1 311.400 3.991 20 30 DHEDMO C[C@@H](c1c(F)cccc1F)[N@H+](C)CCOc1ccccc1C#N ZINC000520388820 1013730228 /nfs/dbraw/zinc/73/02/28/1013730228.db2.gz HDAKZQJGUVQOOR-ZDUSSCGKSA-N 1 1 316.351 3.908 20 30 DHEDMO C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCOc1ccccc1C#N ZINC000520388820 1013730238 /nfs/dbraw/zinc/73/02/38/1013730238.db2.gz HDAKZQJGUVQOOR-ZDUSSCGKSA-N 1 1 316.351 3.908 20 30 DHEDMO C[N@@H+](CCCOCc1ccccc1)Cc1ccc(C#N)cc1F ZINC000343685476 1013769719 /nfs/dbraw/zinc/76/97/19/1013769719.db2.gz UXIDKEREGYPZOJ-UHFFFAOYSA-N 1 1 312.388 3.736 20 30 DHEDMO N#CCCN(C1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167993741 1013772308 /nfs/dbraw/zinc/77/23/08/1013772308.db2.gz QUWMWTUIDKDTHR-DFNIBXOVSA-N 1 1 301.478 3.550 20 30 DHEDMO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]CC1(C#N)CCC1 ZINC000895027793 1013782382 /nfs/dbraw/zinc/78/23/82/1013782382.db2.gz ZUHJJPQJDGQGBQ-UHFFFAOYSA-N 1 1 308.429 3.581 20 30 DHEDMO C[N@@H+](CCNC(=O)c1coc(C2CCCCC2)n1)C1CCCC1 ZINC000328712286 1013793654 /nfs/dbraw/zinc/79/36/54/1013793654.db2.gz BMYIKYSVMQXXKI-UHFFFAOYSA-N 1 1 319.449 3.901 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc(C(C)(C)C)on2)C1 ZINC000330891436 1013846792 /nfs/dbraw/zinc/84/67/92/1013846792.db2.gz HYVTWTXWNFAZJO-OKILXGFUSA-N 1 1 321.465 3.645 20 30 DHEDMO Cc1nc(CC(C)C)oc1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000331308916 1013873560 /nfs/dbraw/zinc/87/35/60/1013873560.db2.gz XQVYDWNRSOOFLZ-UHFFFAOYSA-N 1 1 321.465 3.608 20 30 DHEDMO N#Cc1c(Cl)cccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000610337097 1013941161 /nfs/dbraw/zinc/94/11/61/1013941161.db2.gz CQEXLVVELKXOOB-UHFFFAOYSA-N 1 1 317.845 3.595 20 30 DHEDMO C[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1cccc(C#N)c1 ZINC000610344636 1013954755 /nfs/dbraw/zinc/95/47/55/1013954755.db2.gz BQGSXCKWZFWKMI-ZDUSSCGKSA-N 1 1 320.421 3.928 20 30 DHEDMO CC(C)[N@H+](C)Cc1ccccc1CNCc1cc(C#N)cs1 ZINC000177684964 1013978579 /nfs/dbraw/zinc/97/85/79/1013978579.db2.gz RUWBYKBZCGXJMY-UHFFFAOYSA-N 1 1 313.470 3.750 20 30 DHEDMO CC(C)[N@@H+](C)Cc1ccccc1CNCc1cc(C#N)cs1 ZINC000177684964 1013978583 /nfs/dbraw/zinc/97/85/83/1013978583.db2.gz RUWBYKBZCGXJMY-UHFFFAOYSA-N 1 1 313.470 3.750 20 30 DHEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)nn1 ZINC000846797842 1032084890 /nfs/dbraw/zinc/08/48/90/1032084890.db2.gz XFHNCFFRBXYLPH-GOSISDBHSA-N 1 1 310.445 3.624 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)ccc1F ZINC000580640649 1014264496 /nfs/dbraw/zinc/26/44/96/1014264496.db2.gz FVUHVEHMTZKHMA-HXUWFJFHSA-N 1 1 322.383 3.667 20 30 DHEDMO C=CCC1(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCC1 ZINC000190107499 1014267477 /nfs/dbraw/zinc/26/74/77/1014267477.db2.gz PQXMCXXQOWZWGA-HOTGVXAUSA-N 1 1 304.478 3.502 20 30 DHEDMO CCC[C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000048071091 1014368476 /nfs/dbraw/zinc/36/84/76/1014368476.db2.gz YCNNWWQKJYALSX-QGZVFWFLSA-N 1 1 315.461 3.671 20 30 DHEDMO COc1ccccc1C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001203438612 1014435936 /nfs/dbraw/zinc/43/59/36/1014435936.db2.gz MHHDUESMMXZALI-LJQANCHMSA-N 1 1 322.408 3.610 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@@](C)(c3ccccc3)CC2)cc1C#N ZINC000581064858 1014537869 /nfs/dbraw/zinc/53/78/69/1014537869.db2.gz XNKFHCCASNPTET-HXUWFJFHSA-N 1 1 307.441 3.841 20 30 DHEDMO CC(C)[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1F ZINC000521195568 1014664472 /nfs/dbraw/zinc/66/44/72/1014664472.db2.gz IASZCIBBRHOVKI-UHFFFAOYSA-N 1 1 312.388 3.987 20 30 DHEDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3C)C2)n1 ZINC000933125452 1014673339 /nfs/dbraw/zinc/67/33/39/1014673339.db2.gz HAPPANJVRBCJGY-MRXNPFEDSA-N 1 1 311.454 3.696 20 30 DHEDMO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cccc(C#N)c1F)CC2 ZINC000340963786 1014711235 /nfs/dbraw/zinc/71/12/35/1014711235.db2.gz NIKISHACZUPOEJ-UHFFFAOYSA-N 1 1 322.383 3.501 20 30 DHEDMO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1cccc(C#N)c1F)CC2 ZINC000340963786 1014711245 /nfs/dbraw/zinc/71/12/45/1014711245.db2.gz NIKISHACZUPOEJ-UHFFFAOYSA-N 1 1 322.383 3.501 20 30 DHEDMO CC(C)CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC#N ZINC000093100806 1014717479 /nfs/dbraw/zinc/71/74/79/1014717479.db2.gz LECLMZKCNPVNKA-VMPITWQZSA-N 1 1 301.390 3.870 20 30 DHEDMO CC(C)CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC#N ZINC000093100806 1014717489 /nfs/dbraw/zinc/71/74/89/1014717489.db2.gz LECLMZKCNPVNKA-VMPITWQZSA-N 1 1 301.390 3.870 20 30 DHEDMO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)ccc1C#N ZINC000442799602 1014738059 /nfs/dbraw/zinc/73/80/59/1014738059.db2.gz KKBLCGGZMFJUQL-UHFFFAOYSA-N 1 1 319.408 3.849 20 30 DHEDMO CC#CCC[N@H+](Cc1ccc(OC)cc1OC)[C@H](C)C1CC1 ZINC000581381989 1014752435 /nfs/dbraw/zinc/75/24/35/1014752435.db2.gz MMWPHCHONHEBJN-OAHLLOKOSA-N 1 1 301.430 3.718 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2cc(C)c(OC)c(C)c2)ccc1C#N ZINC000442886449 1014763056 /nfs/dbraw/zinc/76/30/56/1014763056.db2.gz RQJHVXGFIKDQML-UHFFFAOYSA-N 1 1 324.424 3.824 20 30 DHEDMO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000267318354 1014793056 /nfs/dbraw/zinc/79/30/56/1014793056.db2.gz YNQHMYIGVHPGGK-LAUBAEHRSA-N 1 1 319.452 3.558 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000443062598 1014797245 /nfs/dbraw/zinc/79/72/45/1014797245.db2.gz LRVPLRUSBCUXEX-GLJUWKHASA-N 1 1 316.470 3.789 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+](CC)[C@@H](CC)c1ccccc1 ZINC000521823862 1014811764 /nfs/dbraw/zinc/81/17/64/1014811764.db2.gz RDODIRXIWWQSRV-SFHVURJKSA-N 1 1 300.446 3.660 20 30 DHEDMO C#CCC1([NH2+][C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)CCC1 ZINC000933298459 1014954879 /nfs/dbraw/zinc/95/48/79/1014954879.db2.gz HFFJIXLTRZXKLB-LBPRGKRZSA-N 1 1 315.804 3.987 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC000895310665 1015042112 /nfs/dbraw/zinc/04/21/12/1015042112.db2.gz REAMXNXTQJVSJC-INIZCTEOSA-N 1 1 307.397 4.000 20 30 DHEDMO C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H](C)C1 ZINC000443642161 1015061207 /nfs/dbraw/zinc/06/12/07/1015061207.db2.gz NGVPQPCNFVANNW-STQMWFEESA-N 1 1 319.836 3.518 20 30 DHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC2(C1)CCCCC2 ZINC000324004992 1015098885 /nfs/dbraw/zinc/09/88/85/1015098885.db2.gz JXFGPGADFOCZHA-HNNXBMFYSA-N 1 1 311.429 3.541 20 30 DHEDMO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000324018813 1015113979 /nfs/dbraw/zinc/11/39/79/1015113979.db2.gz MXPKVIOATBDUNH-SFHVURJKSA-N 1 1 313.489 3.770 20 30 DHEDMO C[C@H]1CN(CCCC(C)(C)C#N)CC[N@H+](Cc2ccccc2)C1 ZINC000324018813 1015113985 /nfs/dbraw/zinc/11/39/85/1015113985.db2.gz MXPKVIOATBDUNH-SFHVURJKSA-N 1 1 313.489 3.770 20 30 DHEDMO C[C@H]1CN(CCCC(C)(C)C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000324018813 1015113990 /nfs/dbraw/zinc/11/39/90/1015113990.db2.gz MXPKVIOATBDUNH-SFHVURJKSA-N 1 1 313.489 3.770 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cccc3c1NCCC3)C2 ZINC000895413373 1015140159 /nfs/dbraw/zinc/14/01/59/1015140159.db2.gz AKYRFOQOFQAWNL-UHFFFAOYSA-N 1 1 317.436 3.669 20 30 DHEDMO CC(C)C[C@@H](C#N)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168028584 1015157057 /nfs/dbraw/zinc/15/70/57/1015157057.db2.gz PMMOOBYIMYXCJK-HNJRGHQBSA-N 1 1 313.489 3.956 20 30 DHEDMO C=CCC[N@@H+](C)Cc1csc(COc2ccc(F)cc2)n1 ZINC000276486297 1015205855 /nfs/dbraw/zinc/20/58/55/1015205855.db2.gz UDZQNLIAUBKBJH-UHFFFAOYSA-N 1 1 306.406 3.869 20 30 DHEDMO C=CCC[N@H+](C)Cc1csc(COc2ccc(F)cc2)n1 ZINC000276486297 1015205865 /nfs/dbraw/zinc/20/58/65/1015205865.db2.gz UDZQNLIAUBKBJH-UHFFFAOYSA-N 1 1 306.406 3.869 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CC[C@H](c3nccs3)C2)c1 ZINC000895585611 1015213765 /nfs/dbraw/zinc/21/37/65/1015213765.db2.gz YSJNAQRXHNGCQP-HNNXBMFYSA-N 1 1 300.427 3.697 20 30 DHEDMO C[N@H+](Cc1ccccc1)[C@@H](CNCc1ccc(C#N)cc1)C1CC1 ZINC000185223491 1015221237 /nfs/dbraw/zinc/22/12/37/1015221237.db2.gz IIWKAIWPYGQKMD-NRFANRHFSA-N 1 1 319.452 3.558 20 30 DHEDMO C[N@@H+](Cc1ccccc1)[C@@H](CNCc1ccc(C#N)cc1)C1CC1 ZINC000185223491 1015221241 /nfs/dbraw/zinc/22/12/41/1015221241.db2.gz IIWKAIWPYGQKMD-NRFANRHFSA-N 1 1 319.452 3.558 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)c1 ZINC000895716056 1015272168 /nfs/dbraw/zinc/27/21/68/1015272168.db2.gz DGWTWBMERDKJLD-MRXNPFEDSA-N 1 1 304.459 3.648 20 30 DHEDMO C=CCCn1cc(C[NH2+][C@@H](C)c2csc3ccccc23)nn1 ZINC000846855545 1032114708 /nfs/dbraw/zinc/11/47/08/1032114708.db2.gz YFKUBPBDLBFVMK-ZDUSSCGKSA-N 1 1 312.442 3.920 20 30 DHEDMO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3cc(C#N)cs3)C2)n1 ZINC000895821885 1015317116 /nfs/dbraw/zinc/31/71/16/1015317116.db2.gz HBXWQWCILGBLOD-ZDUSSCGKSA-N 1 1 317.483 3.839 20 30 DHEDMO C#CCCCCCC[N@@H+]1CC2(CC(OC)(OC)C2)[C@H]1C(C)C ZINC000895989406 1015398111 /nfs/dbraw/zinc/39/81/11/1015398111.db2.gz ZWWLZHYHPSPWPJ-QGZVFWFLSA-N 1 1 307.478 3.680 20 30 DHEDMO Cc1cc(N(CCC#N)C(=O)C[N@H+](C)C(C)(C)C)ccc1Cl ZINC000581882546 1015423450 /nfs/dbraw/zinc/42/34/50/1015423450.db2.gz AMIADIIEOFPFKU-UHFFFAOYSA-N 1 1 321.852 3.625 20 30 DHEDMO CC[N@@H+](Cc1cn(C)nc1C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000891657310 1015497786 /nfs/dbraw/zinc/49/77/86/1015497786.db2.gz UQVCPOIXLZRUIN-CQSZACIVSA-N 1 1 308.429 3.752 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(C#N)ccn2)cc1 ZINC000341553903 1015520155 /nfs/dbraw/zinc/52/01/55/1015520155.db2.gz VXYQZADGYINOKT-INIZCTEOSA-N 1 1 320.440 3.940 20 30 DHEDMO CC(C)C[N@H+](Cc1nccn1C1CC1)Cc1ccc(C#N)cc1 ZINC000891685102 1015525189 /nfs/dbraw/zinc/52/51/89/1015525189.db2.gz SUXSOEIYYNEXMN-UHFFFAOYSA-N 1 1 308.429 3.748 20 30 DHEDMO CC(C)C[N@@H+](Cc1nccn1C1CC1)Cc1ccc(C#N)cc1 ZINC000891685102 1015525200 /nfs/dbraw/zinc/52/52/00/1015525200.db2.gz SUXSOEIYYNEXMN-UHFFFAOYSA-N 1 1 308.429 3.748 20 30 DHEDMO C=C1CCC(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000896351335 1015558787 /nfs/dbraw/zinc/55/87/87/1015558787.db2.gz LHADJDFZFXQJQT-MSOLQXFVSA-N 1 1 318.505 3.846 20 30 DHEDMO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](CC(C)(C)CCC#N)CC1(C)C ZINC000896364488 1015562350 /nfs/dbraw/zinc/56/23/50/1015562350.db2.gz FZCAOFBROIEYSK-AWEZNQCLSA-N 1 1 323.481 3.551 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000896519066 1015616535 /nfs/dbraw/zinc/61/65/35/1015616535.db2.gz XABSAUSJVLGRCQ-UONOGXRCSA-N 1 1 303.475 3.751 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cc(C#N)ccc1NC1CC1 ZINC000329083546 1015638443 /nfs/dbraw/zinc/63/84/43/1015638443.db2.gz FFXSNMYBFRWYTN-BETUJISGSA-N 1 1 312.417 3.593 20 30 DHEDMO Cc1c([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cnn1C ZINC000329147905 1015647852 /nfs/dbraw/zinc/64/78/52/1015647852.db2.gz BAVSPGDGEWGIND-SUMWQHHRSA-N 1 1 318.465 3.543 20 30 DHEDMO Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000329172221 1015653025 /nfs/dbraw/zinc/65/30/25/1015653025.db2.gz ACWQHDGBOOAOQF-GUYCJALGSA-N 1 1 318.465 3.543 20 30 DHEDMO C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2C#N)[C@@H](C)C1 ZINC001141903111 1015669544 /nfs/dbraw/zinc/66/95/44/1015669544.db2.gz QSBNJNVIJWXJTM-NEPJUHHUSA-N 1 1 307.235 3.941 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2C#N)[C@@H](C)C1 ZINC001141903111 1015669547 /nfs/dbraw/zinc/66/95/47/1015669547.db2.gz QSBNJNVIJWXJTM-NEPJUHHUSA-N 1 1 307.235 3.941 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000329515473 1015725690 /nfs/dbraw/zinc/72/56/90/1015725690.db2.gz ONMYIYMWBYSVCV-CQSZACIVSA-N 1 1 319.453 3.636 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H](O)C3CCCCC3)CC2)cc1 ZINC000474964556 1015731083 /nfs/dbraw/zinc/73/10/83/1015731083.db2.gz HFDCDTYRRNWGIF-FQEVSTJZSA-N 1 1 310.441 3.589 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)ccc1F ZINC000610719831 1015745050 /nfs/dbraw/zinc/74/50/50/1015745050.db2.gz OQXPJTOAUXUYJL-GOSISDBHSA-N 1 1 312.413 3.987 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)C1CCCCC1 ZINC000475021413 1015767838 /nfs/dbraw/zinc/76/78/38/1015767838.db2.gz BYKMQJCYNYEANX-AQNXPRMDSA-N 1 1 312.457 3.699 20 30 DHEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)CCC(F)(F)F ZINC000610786294 1015786168 /nfs/dbraw/zinc/78/61/68/1015786168.db2.gz UKKHESIQNSRVDW-UHFFFAOYSA-N 1 1 300.324 3.601 20 30 DHEDMO Cc1ccc2c(C)cc(N3CCC4(CC3)CC(=O)C=CO4)[nH+]c2c1 ZINC000896880052 1015795396 /nfs/dbraw/zinc/79/53/96/1015795396.db2.gz MGBQQEYYFUBBRO-UHFFFAOYSA-N 1 1 322.408 3.694 20 30 DHEDMO CC[N@@H+](C[C@@H](O)CC1CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000475047951 1015804387 /nfs/dbraw/zinc/80/43/87/1015804387.db2.gz NTLSKKFISFCWBC-BEFAXECRSA-N 1 1 300.446 3.882 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CC(=O)c2ccccc2)cc1F ZINC000361861018 1032131539 /nfs/dbraw/zinc/13/15/39/1032131539.db2.gz UBHPEOFEJZJISR-SFHVURJKSA-N 1 1 322.383 3.935 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000610967406 1015969397 /nfs/dbraw/zinc/96/93/97/1015969397.db2.gz LYLDGAXLOLBPFD-GOSISDBHSA-N 1 1 308.381 3.610 20 30 DHEDMO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1ccnc(C#N)c1 ZINC000610991561 1015992243 /nfs/dbraw/zinc/99/22/43/1015992243.db2.gz NAOJCGCUFTWXCE-UHFFFAOYSA-N 1 1 315.804 3.508 20 30 DHEDMO C[C@H]1COCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000610991083 1015992668 /nfs/dbraw/zinc/99/26/68/1015992668.db2.gz ZZKCFFRIQPUOBG-INIZCTEOSA-N 1 1 306.409 3.836 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001173327966 1033688777 /nfs/dbraw/zinc/68/87/77/1033688777.db2.gz WPXPTIGJECETNK-GTPINHCMSA-N 1 1 323.477 3.554 20 30 DHEDMO Cc1[nH+]c(C=NNc2cccc3cnccc32)c2ccccn12 ZINC000728432605 1016114721 /nfs/dbraw/zinc/11/47/21/1016114721.db2.gz YPZUALHMKCQVTP-UHFFFAOYSA-N 1 1 301.353 3.637 20 30 DHEDMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1csc(C#N)c1)CCC2 ZINC000892036888 1016140973 /nfs/dbraw/zinc/14/09/73/1016140973.db2.gz ZIVIMDCRBYTGNM-CQSZACIVSA-N 1 1 303.456 3.894 20 30 DHEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1csc(C#N)c1)CCC2 ZINC000892036888 1016140978 /nfs/dbraw/zinc/14/09/78/1016140978.db2.gz ZIVIMDCRBYTGNM-CQSZACIVSA-N 1 1 303.456 3.894 20 30 DHEDMO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1nccn1-c1ccccc1 ZINC000342315218 1016257385 /nfs/dbraw/zinc/25/73/85/1016257385.db2.gz YODPSRLUYKGNRO-CYBMUJFWSA-N 1 1 308.410 3.656 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451353347 1016449508 /nfs/dbraw/zinc/44/95/08/1016449508.db2.gz NZYCNOWEYJEMTL-KURKYZTESA-N 1 1 318.848 3.727 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C)c(C#N)c2)nc1 ZINC000934340951 1016479148 /nfs/dbraw/zinc/47/91/48/1016479148.db2.gz FAFODKXYTAWUBZ-IBGZPJMESA-N 1 1 307.397 3.607 20 30 DHEDMO CC[C@@](C)([NH2+]Cc1ccc(C#N)c(OC)c1)c1nc(C)cs1 ZINC000281467540 1016530119 /nfs/dbraw/zinc/53/01/19/1016530119.db2.gz BGRBOOHMPOKGJH-QGZVFWFLSA-N 1 1 315.442 3.747 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC001167562777 1016580708 /nfs/dbraw/zinc/58/07/08/1016580708.db2.gz PXRTYZGQPGEFFS-HZPDHXFCSA-N 1 1 310.482 3.968 20 30 DHEDMO N#Cc1cc(F)ccc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281857263 1016765415 /nfs/dbraw/zinc/76/54/15/1016765415.db2.gz JXABSRUTJGXTLB-AWEZNQCLSA-N 1 1 324.403 3.614 20 30 DHEDMO Cc1cc(C)c(C#N)c(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000342200560 1016781100 /nfs/dbraw/zinc/78/11/00/1016781100.db2.gz AQFZFZJJJUAKKX-AEFFLSMTSA-N 1 1 320.440 3.645 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000072692806 1016826794 /nfs/dbraw/zinc/82/67/94/1016826794.db2.gz DYQZPBFPMHXLFS-QGZVFWFLSA-N 1 1 310.388 3.650 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000072692806 1016826797 /nfs/dbraw/zinc/82/67/97/1016826797.db2.gz DYQZPBFPMHXLFS-QGZVFWFLSA-N 1 1 310.388 3.650 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000342617833 1016862521 /nfs/dbraw/zinc/86/25/21/1016862521.db2.gz IXZFYTNQMLSTNT-KDURUIRLSA-N 1 1 304.393 3.588 20 30 DHEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ncc(C)s1)C1CC1 ZINC000185350477 1016869686 /nfs/dbraw/zinc/86/96/86/1016869686.db2.gz QTZPWABTHKYGPU-MRXNPFEDSA-N 1 1 313.426 3.573 20 30 DHEDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(C#N)cc2C)cc1OC ZINC000186160711 1017021892 /nfs/dbraw/zinc/02/18/92/1017021892.db2.gz ZFARIXLOUOYCOX-UHFFFAOYSA-N 1 1 324.424 3.824 20 30 DHEDMO C#CC[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C1CC1 ZINC000763950786 1017051654 /nfs/dbraw/zinc/05/16/54/1017051654.db2.gz OGSCVHOCRKKUAG-UHFFFAOYSA-N 1 1 304.393 3.537 20 30 DHEDMO C#CC[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C1CC1 ZINC000763950786 1017051665 /nfs/dbraw/zinc/05/16/65/1017051665.db2.gz OGSCVHOCRKKUAG-UHFFFAOYSA-N 1 1 304.393 3.537 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000847020330 1032181881 /nfs/dbraw/zinc/18/18/81/1032181881.db2.gz AVONVMITCZBHTE-GOSISDBHSA-N 1 1 312.457 3.676 20 30 DHEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000847024948 1032180917 /nfs/dbraw/zinc/18/09/17/1032180917.db2.gz UPRMNASCOCAYQF-KGLIPLIRSA-N 1 1 313.376 3.590 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000847024948 1032180924 /nfs/dbraw/zinc/18/09/24/1032180924.db2.gz UPRMNASCOCAYQF-KGLIPLIRSA-N 1 1 313.376 3.590 20 30 DHEDMO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000342784587 1017234279 /nfs/dbraw/zinc/23/42/79/1017234279.db2.gz QRXYZWXNLLQGMM-QAPCUYQASA-N 1 1 308.429 3.778 20 30 DHEDMO C=CCOCC[N@H+](C)C[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001307681552 1017241311 /nfs/dbraw/zinc/24/13/11/1017241311.db2.gz RAOYBSIUGCWJRQ-LBPRGKRZSA-N 1 1 318.244 3.895 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000847033898 1032183795 /nfs/dbraw/zinc/18/37/95/1032183795.db2.gz HHAVDVQUBIVQQL-QGZVFWFLSA-N 1 1 306.409 3.506 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000847028606 1032184417 /nfs/dbraw/zinc/18/44/17/1032184417.db2.gz JLFBHQZGIZQCNA-CYBMUJFWSA-N 1 1 300.789 3.840 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000847028606 1032184425 /nfs/dbraw/zinc/18/44/25/1032184425.db2.gz JLFBHQZGIZQCNA-CYBMUJFWSA-N 1 1 300.789 3.840 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000847028610 1032184897 /nfs/dbraw/zinc/18/48/97/1032184897.db2.gz JLFBHQZGIZQCNA-ZDUSSCGKSA-N 1 1 300.789 3.840 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000847028610 1032184899 /nfs/dbraw/zinc/18/48/99/1032184899.db2.gz JLFBHQZGIZQCNA-ZDUSSCGKSA-N 1 1 300.789 3.840 20 30 DHEDMO Cc1nc([C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cs1 ZINC000772960791 1032196865 /nfs/dbraw/zinc/19/68/65/1032196865.db2.gz WKJSJQJWIDUHEG-NEPJUHHUSA-N 1 1 301.415 3.766 20 30 DHEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC001171299377 1032286923 /nfs/dbraw/zinc/28/69/23/1032286923.db2.gz XYNWPPQPUVZCCP-KURKYZTESA-N 1 1 300.446 3.738 20 30 DHEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000772986813 1032366961 /nfs/dbraw/zinc/36/69/61/1032366961.db2.gz DREQRXCVXDIMCF-LBPRGKRZSA-N 1 1 319.326 3.967 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000348123262 1032468552 /nfs/dbraw/zinc/46/85/52/1032468552.db2.gz DHPJYBLQZATIJV-MRXNPFEDSA-N 1 1 323.415 3.576 20 30 DHEDMO CC[C@H]1CC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000091930210 1032464259 /nfs/dbraw/zinc/46/42/59/1032464259.db2.gz VEOYTCZHDALIQR-HNNXBMFYSA-N 1 1 302.418 3.610 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc([S@@](C)=O)cc1 ZINC000092505712 1032502273 /nfs/dbraw/zinc/50/22/73/1032502273.db2.gz FQUVIUOSVSSPIU-QFIPXVFZSA-N 1 1 313.466 3.655 20 30 DHEDMO Cc1ccc(-c2n[nH]cc2C[N@@H+](CCC#N)CCC(C)C)o1 ZINC000093100804 1032522099 /nfs/dbraw/zinc/52/20/99/1032522099.db2.gz YPODXPYIDVSRKE-UHFFFAOYSA-N 1 1 300.406 3.740 20 30 DHEDMO Cc1ccc(-c2n[nH]cc2C[N@H+](CCC#N)CCC(C)C)o1 ZINC000093100804 1032522107 /nfs/dbraw/zinc/52/21/07/1032522107.db2.gz YPODXPYIDVSRKE-UHFFFAOYSA-N 1 1 300.406 3.740 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)cc1Cl ZINC000093482109 1032541123 /nfs/dbraw/zinc/54/11/23/1032541123.db2.gz QNPDKXYSUVCKBP-UKRRQHHQSA-N 1 1 309.837 3.640 20 30 DHEDMO CC(C)c1nccnc1N=NC1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000773078077 1032551067 /nfs/dbraw/zinc/55/10/67/1032551067.db2.gz MASCKAHTPGOWOS-OAHLLOKOSA-N 1 1 323.444 3.520 20 30 DHEDMO N#Cc1ccc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1 ZINC000076181995 1011946487 /nfs/dbraw/zinc/94/64/87/1011946487.db2.gz MPDHFIKDZLGYQZ-RYUDHWBXSA-N 1 1 322.252 3.731 20 30 DHEDMO C=C(C)C(C)(C)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000424715660 1012104101 /nfs/dbraw/zinc/10/41/01/1012104101.db2.gz UZUZPKPFAZTHTM-INIZCTEOSA-N 1 1 302.462 3.616 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000424747513 1012116596 /nfs/dbraw/zinc/11/65/96/1012116596.db2.gz NABDZUPOILJUNL-HZPDHXFCSA-N 1 1 320.864 3.804 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000424747513 1012116604 /nfs/dbraw/zinc/11/66/04/1012116604.db2.gz NABDZUPOILJUNL-HZPDHXFCSA-N 1 1 320.864 3.804 20 30 DHEDMO C=CCCCC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425084776 1012256040 /nfs/dbraw/zinc/25/60/40/1012256040.db2.gz RIDCNBUQNDCNSE-UHFFFAOYSA-N 1 1 307.463 3.595 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2nccc3Cl)c(F)c1 ZINC000924981706 1012299394 /nfs/dbraw/zinc/29/93/94/1012299394.db2.gz XBSQUMFCIMPHDV-OAHLLOKOSA-N 1 1 301.752 3.523 20 30 DHEDMO N#Cc1ccc(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)nc1 ZINC000042847956 1012318064 /nfs/dbraw/zinc/31/80/64/1012318064.db2.gz NKMAVTSSWORLIA-UHFFFAOYSA-N 1 1 303.369 3.773 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000514726954 1012425726 /nfs/dbraw/zinc/42/57/26/1012425726.db2.gz KETOBKWRXDQCPY-HKUYNNGSSA-N 1 1 301.430 3.642 20 30 DHEDMO CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000117346206 1012466690 /nfs/dbraw/zinc/46/66/90/1012466690.db2.gz SMHDZWHLHGRXPY-DZGCQCFKSA-N 1 1 317.433 3.607 20 30 DHEDMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000117346206 1012466699 /nfs/dbraw/zinc/46/66/99/1012466699.db2.gz SMHDZWHLHGRXPY-DZGCQCFKSA-N 1 1 317.433 3.607 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000425364721 1012487853 /nfs/dbraw/zinc/48/78/53/1012487853.db2.gz HHDGUQHUGRKDPX-GFCCVEGCSA-N 1 1 322.334 3.510 20 30 DHEDMO Cc1ccn2c(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)cnc2c1 ZINC000425366010 1012496324 /nfs/dbraw/zinc/49/63/24/1012496324.db2.gz NYKLONXOOGXXAQ-HNNXBMFYSA-N 1 1 304.397 3.707 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C ZINC000533416272 1012661066 /nfs/dbraw/zinc/66/10/66/1012661066.db2.gz RVTOVPCJVGPUBU-CQSZACIVSA-N 1 1 308.491 3.629 20 30 DHEDMO Cc1nsc(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1C#N ZINC000342816997 1012691129 /nfs/dbraw/zinc/69/11/29/1012691129.db2.gz KZTSXMCUKSLYTO-CYBMUJFWSA-N 1 1 314.458 3.646 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@@H+](CCCc2ccc(C#N)cc2)C1 ZINC001208860286 1012704099 /nfs/dbraw/zinc/70/40/99/1012704099.db2.gz JQPKOEAVAHOIRH-LJQANCHMSA-N 1 1 320.436 3.989 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1cnc(N(C)C)s1)c1ccc(F)c(F)c1 ZINC000274823471 1012714806 /nfs/dbraw/zinc/71/48/06/1012714806.db2.gz SGHYGQYKLCIIRM-OAHLLOKOSA-N 1 1 323.412 3.894 20 30 DHEDMO Cn1cc(C[N@H+]2CC[C@H](CC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000339681262 1012759914 /nfs/dbraw/zinc/75/99/14/1012759914.db2.gz GWZZLTHTMOZHMT-QGZVFWFLSA-N 1 1 320.440 3.581 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000061758742 1032662360 /nfs/dbraw/zinc/66/23/60/1032662360.db2.gz IFXIMHZVSJZRJE-SFHVURJKSA-N 1 1 302.462 3.788 20 30 DHEDMO COc1cccc(Cl)c1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000336863129 1013016403 /nfs/dbraw/zinc/01/64/03/1013016403.db2.gz MYXAQAULIOUBEY-UHFFFAOYSA-N 1 1 316.788 3.519 20 30 DHEDMO C=CCCn1cc(C[NH2+][C@H]2C[C@@H](C(C)C)c3ccccc32)nn1 ZINC000623707786 1017195314 /nfs/dbraw/zinc/19/53/14/1017195314.db2.gz KJERUMZSXFAJML-OALUTQOASA-N 1 1 310.445 3.828 20 30 DHEDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000091412338 1017197907 /nfs/dbraw/zinc/19/79/07/1017197907.db2.gz WSFMMBJNWKWTJN-IERDGZPVSA-N 1 1 319.452 3.655 20 30 DHEDMO C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000091412338 1017197915 /nfs/dbraw/zinc/19/79/15/1017197915.db2.gz WSFMMBJNWKWTJN-IERDGZPVSA-N 1 1 319.452 3.655 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000054271890 1017288282 /nfs/dbraw/zinc/28/82/82/1017288282.db2.gz XUVHGEYXDOQRQT-UHFFFAOYSA-N 1 1 312.369 3.792 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000054271890 1017288294 /nfs/dbraw/zinc/28/82/94/1017288294.db2.gz XUVHGEYXDOQRQT-UHFFFAOYSA-N 1 1 312.369 3.792 20 30 DHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC3(C2)CCCCC3)cc1 ZINC000323794707 1017325909 /nfs/dbraw/zinc/32/59/09/1017325909.db2.gz JLCPLKMUNAZAFM-UHFFFAOYSA-N 1 1 311.429 3.543 20 30 DHEDMO CC(C)CC[N@H+](CCC#N)Cc1cn(C)nc1-c1cccs1 ZINC000180059435 1017363438 /nfs/dbraw/zinc/36/34/38/1017363438.db2.gz LQGUJLCAIOQGAN-UHFFFAOYSA-N 1 1 316.474 3.910 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)Cc1cn(C)nc1-c1cccs1 ZINC000180059435 1017363452 /nfs/dbraw/zinc/36/34/52/1017363452.db2.gz LQGUJLCAIOQGAN-UHFFFAOYSA-N 1 1 316.474 3.910 20 30 DHEDMO C=CCOc1cccc(C[NH2+]Cc2c(OC)cccc2OC)c1 ZINC000657586001 1017497071 /nfs/dbraw/zinc/49/70/71/1017497071.db2.gz PFZOPZDQFAQVDN-UHFFFAOYSA-N 1 1 313.397 3.558 20 30 DHEDMO C=CCN(CC=C)[C@@H](C[NH2+][C@H](C)c1nc(C)cs1)C(C)C ZINC000623861185 1017537634 /nfs/dbraw/zinc/53/76/34/1017537634.db2.gz RKCDPXJORQQVSK-CVEARBPZSA-N 1 1 307.507 3.801 20 30 DHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC2(C1)CCCCC2 ZINC000324004995 1017560617 /nfs/dbraw/zinc/56/06/17/1017560617.db2.gz JXFGPGADFOCZHA-OAHLLOKOSA-N 1 1 311.429 3.541 20 30 DHEDMO CCC(CC)[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000523224822 1017573519 /nfs/dbraw/zinc/57/35/19/1017573519.db2.gz XUHRPBHZOZRBJM-UHFFFAOYSA-N 1 1 313.445 3.586 20 30 DHEDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444684603 1017630411 /nfs/dbraw/zinc/63/04/11/1017630411.db2.gz NKFGPOUUBIDAEI-MRXNPFEDSA-N 1 1 308.466 3.760 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2ccc(C(=O)NC)cc2)CCCC1(C)C ZINC000444790905 1017682229 /nfs/dbraw/zinc/68/22/29/1017682229.db2.gz LIWZPXRCCXBTKQ-KRWDZBQOSA-N 1 1 300.446 3.613 20 30 DHEDMO C=CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000674051878 1017775183 /nfs/dbraw/zinc/77/51/83/1017775183.db2.gz KFKNUSAICBJGRU-KRWDZBQOSA-N 1 1 312.457 3.860 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000625702793 1017785111 /nfs/dbraw/zinc/78/51/11/1017785111.db2.gz HFRCODIYMQGDGC-ZDUSSCGKSA-N 1 1 322.836 3.575 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000625704652 1017785285 /nfs/dbraw/zinc/78/52/85/1017785285.db2.gz ZKEKSNJSCGAGSL-NSHDSACASA-N 1 1 321.218 3.988 20 30 DHEDMO CC[N@H+](Cc1cn2ccsc2n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000171078334 1017848946 /nfs/dbraw/zinc/84/89/46/1017848946.db2.gz KZDFBQQLMSAEIQ-ZDUSSCGKSA-N 1 1 310.426 3.851 20 30 DHEDMO CC[N@@H+](Cc1cn2ccsc2n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000171078334 1017848962 /nfs/dbraw/zinc/84/89/62/1017848962.db2.gz KZDFBQQLMSAEIQ-ZDUSSCGKSA-N 1 1 310.426 3.851 20 30 DHEDMO N#CCC[N@@H+](C1CCCC1)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171488429 1032729713 /nfs/dbraw/zinc/72/97/13/1032729713.db2.gz NKZDUSRKGQFYOE-MRXNPFEDSA-N 1 1 304.384 3.980 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001171491506 1032732527 /nfs/dbraw/zinc/73/25/27/1032732527.db2.gz VNAUSSPIWYXIIB-MLGOLLRUSA-N 1 1 312.240 3.762 20 30 DHEDMO CC(C)CC[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000121590290 1017925247 /nfs/dbraw/zinc/92/52/47/1017925247.db2.gz GJOTZEAHWVVBRB-UHFFFAOYSA-N 1 1 321.852 3.565 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171497549 1032735837 /nfs/dbraw/zinc/73/58/37/1032735837.db2.gz VOBJTBRCEFETDR-KRWDZBQOSA-N 1 1 312.363 3.826 20 30 DHEDMO COc1cc(C[NH2+]C[C@@H](C)C#N)ccc1OCc1cccs1 ZINC000183832512 1018047098 /nfs/dbraw/zinc/04/70/98/1018047098.db2.gz FXZDTTLJFNFCSI-ZDUSSCGKSA-N 1 1 316.426 3.585 20 30 DHEDMO CCOc1cc(C[NH2+]C[C@H](C)C#N)ccc1OCc1ccccc1 ZINC000183839975 1018047210 /nfs/dbraw/zinc/04/72/10/1018047210.db2.gz YWTNJFLJYXBWRK-MRXNPFEDSA-N 1 1 324.424 3.914 20 30 DHEDMO CCCC[N@H+]1CCCC[C@H]1CNc1c(C#N)nnc2ccccc21 ZINC000524724954 1018073733 /nfs/dbraw/zinc/07/37/33/1018073733.db2.gz VPBSKTVFOWSVDH-HNNXBMFYSA-N 1 1 323.444 3.568 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)CCC1CCCCC1 ZINC000524907305 1018126227 /nfs/dbraw/zinc/12/62/27/1018126227.db2.gz SMYMBCDKBMZMKX-UHFFFAOYSA-N 1 1 316.445 3.848 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000524906516 1018126965 /nfs/dbraw/zinc/12/69/65/1018126965.db2.gz LKQKBTKDNOWROF-INIZCTEOSA-N 1 1 324.424 3.947 20 30 DHEDMO COc1nc2ccccc2cc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000764140098 1018174126 /nfs/dbraw/zinc/17/41/26/1018174126.db2.gz KFQPIBXCWCBVFM-UHFFFAOYSA-N 1 1 321.355 3.544 20 30 DHEDMO C=CCC1(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CCCCC1 ZINC001127740112 1018206979 /nfs/dbraw/zinc/20/69/79/1018206979.db2.gz KSMFBPXJNGDSTF-SFHVURJKSA-N 1 1 312.457 3.816 20 30 DHEDMO C=CCC1(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CCCCC1 ZINC001127740112 1018206995 /nfs/dbraw/zinc/20/69/95/1018206995.db2.gz KSMFBPXJNGDSTF-SFHVURJKSA-N 1 1 312.457 3.816 20 30 DHEDMO CC(C)[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000446764407 1018240527 /nfs/dbraw/zinc/24/05/27/1018240527.db2.gz HCRYSVBEUJZDFI-UHFFFAOYSA-N 1 1 306.384 3.959 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2ccc([S@@](C)=O)cc2)CCCC1(C)C ZINC000446827467 1018261953 /nfs/dbraw/zinc/26/19/53/1018261953.db2.gz ONBHKXHRSCEQPN-LAUBAEHRSA-N 1 1 305.487 3.991 20 30 DHEDMO CCCc1nc(C)c(C[NH2+][C@@H](CC)c2cccc(C#N)c2O)o1 ZINC000926476973 1018309058 /nfs/dbraw/zinc/30/90/58/1018309058.db2.gz RHMJJCHUSRDUMA-HNNXBMFYSA-N 1 1 313.401 3.754 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858049698 1032755464 /nfs/dbraw/zinc/75/54/64/1032755464.db2.gz LESHPDTVUCJKAK-QGZVFWFLSA-N 1 1 313.445 3.742 20 30 DHEDMO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000447093363 1018324860 /nfs/dbraw/zinc/32/48/60/1018324860.db2.gz IZUHAQXJFDIXMH-INIZCTEOSA-N 1 1 318.424 3.577 20 30 DHEDMO Cc1ccc(O[C@@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)nc1 ZINC000858039794 1032756526 /nfs/dbraw/zinc/75/65/26/1032756526.db2.gz JLHGVVMWEDGUTA-MRXNPFEDSA-N 1 1 301.434 3.563 20 30 DHEDMO CC[C@@H]([NH2+]Cc1nc2ccc(C)cc2[nH]1)c1ccc(C#N)cc1 ZINC000447563542 1018427878 /nfs/dbraw/zinc/42/78/78/1018427878.db2.gz QMSYCXABGDQSBV-MRXNPFEDSA-N 1 1 304.397 3.984 20 30 DHEDMO CC#CCC[N@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000764955376 1018436510 /nfs/dbraw/zinc/43/65/10/1018436510.db2.gz YRXSQAYYQSXEEZ-IRXDYDNUSA-N 1 1 320.477 3.511 20 30 DHEDMO CC(C)c1ccc2ncc(C#N)c(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2c1 ZINC000447691136 1018455964 /nfs/dbraw/zinc/45/59/64/1018455964.db2.gz OOYGAMPVAYOZEZ-RHSMWYFYSA-N 1 1 322.456 3.546 20 30 DHEDMO C=CCN(C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000156584975 1018474700 /nfs/dbraw/zinc/47/47/00/1018474700.db2.gz SCVJKXMFEXPVMJ-UHFFFAOYSA-N 1 1 312.417 3.705 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000728569344 1018500928 /nfs/dbraw/zinc/50/09/28/1018500928.db2.gz BCYARXQWZNHWJK-VQTJNVASSA-N 1 1 324.399 3.785 20 30 DHEDMO C[N@@H+](CCCSCC#N)Cc1cccc(OC(F)(F)F)c1 ZINC000127579079 1032775554 /nfs/dbraw/zinc/77/55/54/1032775554.db2.gz YJSDTVPTMLHSPW-UHFFFAOYSA-N 1 1 318.364 3.664 20 30 DHEDMO CCC(O)(CC)C[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000626110932 1018655045 /nfs/dbraw/zinc/65/50/45/1018655045.db2.gz XCUFHKMSEDEAJU-UHFFFAOYSA-N 1 1 313.363 3.540 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000157674296 1018666747 /nfs/dbraw/zinc/66/67/47/1018666747.db2.gz PRTVWYCTWXXJCG-MRXNPFEDSA-N 1 1 308.429 3.696 20 30 DHEDMO CCC[N@@H+](CCC(C)(C)C#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000157880311 1018702739 /nfs/dbraw/zinc/70/27/39/1018702739.db2.gz BOJRKGXELRDWDG-OAHLLOKOSA-N 1 1 301.434 3.665 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@H](C)C2CC2)cc1OCCCC#N ZINC000158100770 1018743197 /nfs/dbraw/zinc/74/31/97/1018743197.db2.gz IASBZUVHVLBPGK-CQSZACIVSA-N 1 1 302.418 3.608 20 30 DHEDMO CC[N@@H+](CCCOCC(F)(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340161 1018840835 /nfs/dbraw/zinc/84/08/35/1018840835.db2.gz HIJILSKHEXJNMW-ZDUSSCGKSA-N 1 1 314.351 3.910 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(Cl)c(O)c(OCC)c2)C1 ZINC000843422657 1018866967 /nfs/dbraw/zinc/86/69/67/1018866967.db2.gz HMFNLNWSBJSNPG-ZDUSSCGKSA-N 1 1 307.821 3.680 20 30 DHEDMO NC(CCCc1ccccc1)=[NH+]OCc1ccc(Cl)nc1 ZINC000131347646 1018910047 /nfs/dbraw/zinc/91/00/47/1018910047.db2.gz AUCUPULHRFTHIA-UHFFFAOYSA-N 1 1 303.793 3.547 20 30 DHEDMO C=CC[N@H+](C)Cc1cn(-c2ccccc2Br)nc1C ZINC000656255202 1018988853 /nfs/dbraw/zinc/98/88/53/1018988853.db2.gz HAAPHUQSZVFUCO-UHFFFAOYSA-N 1 1 320.234 3.561 20 30 DHEDMO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CCO2)o1 ZINC000159187967 1019020570 /nfs/dbraw/zinc/02/05/70/1019020570.db2.gz IUKRFBCAGNGIFV-IBGZPJMESA-N 1 1 324.424 3.963 20 30 DHEDMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)CCO2)o1 ZINC000159187967 1019020587 /nfs/dbraw/zinc/02/05/87/1019020587.db2.gz IUKRFBCAGNGIFV-IBGZPJMESA-N 1 1 324.424 3.963 20 30 DHEDMO CC[C@@H]([NH2+]Cc1csc([C@@H](C)OC)n1)c1ccc(C#N)cc1 ZINC000278686134 1019039716 /nfs/dbraw/zinc/03/97/16/1019039716.db2.gz KDTYZXVZIMVXFS-MLGOLLRUSA-N 1 1 315.442 3.963 20 30 DHEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000130743940 1019069637 /nfs/dbraw/zinc/06/96/37/1019069637.db2.gz AJUVLKDSQAZUDE-GOSISDBHSA-N 1 1 324.428 3.504 20 30 DHEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCc2ccccc21 ZINC000008126809 1019088271 /nfs/dbraw/zinc/08/82/71/1019088271.db2.gz GWYJSMRSRHVQQS-LJQANCHMSA-N 1 1 319.408 3.506 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@@H]2CCO)cc1 ZINC000112583604 1019142244 /nfs/dbraw/zinc/14/22/44/1019142244.db2.gz JKXCSNHZCFQJJK-HXUWFJFHSA-N 1 1 320.436 3.962 20 30 DHEDMO C=CCCC[N@H+](C)C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000077176963 1019254475 /nfs/dbraw/zinc/25/44/75/1019254475.db2.gz FMRSFJDOEWCZRN-RHSMWYFYSA-N 1 1 311.853 3.677 20 30 DHEDMO CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1csc(C#N)c1)CCC2 ZINC000921982278 1019257086 /nfs/dbraw/zinc/25/70/86/1019257086.db2.gz FJDQFYUQHDUKQI-OAHLLOKOSA-N 1 1 300.431 3.564 20 30 DHEDMO CC[C@H](C(=O)[C@@H](C#N)c1nc(C(C)C)cs1)[NH+](CC)CC ZINC000765964821 1019272902 /nfs/dbraw/zinc/27/29/02/1019272902.db2.gz OVNYWXJGYGRXHK-TZMCWYRMSA-N 1 1 307.463 3.563 20 30 DHEDMO C#CC[N@@H+](Cc1cccc2n[nH]cc21)[C@@H]1CCc2ccccc21 ZINC001143095955 1019282859 /nfs/dbraw/zinc/28/28/59/1019282859.db2.gz XVUOJCFYSNXSIA-HXUWFJFHSA-N 1 1 301.393 3.686 20 30 DHEDMO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cn1 ZINC000090180637 1019383029 /nfs/dbraw/zinc/38/30/29/1019383029.db2.gz XDIRRVLEYSFWMJ-LBPRGKRZSA-N 1 1 322.305 3.942 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(C)cc1C ZINC000611257393 1019424288 /nfs/dbraw/zinc/42/42/88/1019424288.db2.gz ITISFYOPLZXAGN-UHFFFAOYSA-N 1 1 314.454 3.885 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)o1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000611266812 1019427548 /nfs/dbraw/zinc/42/75/48/1019427548.db2.gz PKJCIYNSLYLIDM-QFBILLFUSA-N 1 1 310.397 3.751 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)o1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000611266813 1019428957 /nfs/dbraw/zinc/42/89/57/1019428957.db2.gz PKJCIYNSLYLIDM-VQIMIIECSA-N 1 1 310.397 3.751 20 30 DHEDMO C[N@@H+](CCOC(C)(C)C)Cc1cccc(OCCCC#N)c1 ZINC000611274764 1019432436 /nfs/dbraw/zinc/43/24/36/1019432436.db2.gz YQMVPPKHJLHCOD-UHFFFAOYSA-N 1 1 304.434 3.616 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1C#N ZINC000611348311 1019457115 /nfs/dbraw/zinc/45/71/15/1019457115.db2.gz URSZYSJXWJSMCP-VQIMIIECSA-N 1 1 320.440 3.817 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1C#N ZINC000611348311 1019457126 /nfs/dbraw/zinc/45/71/26/1019457126.db2.gz URSZYSJXWJSMCP-VQIMIIECSA-N 1 1 320.440 3.817 20 30 DHEDMO CCn1c(C[NH2+][C@@H](C)c2cccc(C#N)c2)nc2cc(F)ccc21 ZINC000611387055 1019462324 /nfs/dbraw/zinc/46/23/24/1019462324.db2.gz DRXCZZPYCOTGEE-ZDUSSCGKSA-N 1 1 322.387 3.918 20 30 DHEDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611391563 1019466147 /nfs/dbraw/zinc/46/61/47/1019466147.db2.gz XMXMGRXLSOISAP-GUXCAODWSA-N 1 1 311.473 3.646 20 30 DHEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611391563 1019466156 /nfs/dbraw/zinc/46/61/56/1019466156.db2.gz XMXMGRXLSOISAP-GUXCAODWSA-N 1 1 311.473 3.646 20 30 DHEDMO CCCC[NH+]1CCC(N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392573 1019466670 /nfs/dbraw/zinc/46/66/70/1019466670.db2.gz WMFOCVGGZBPXRN-FQEVSTJZSA-N 1 1 311.473 3.790 20 30 DHEDMO CCCCN1CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392573 1019466675 /nfs/dbraw/zinc/46/66/75/1019466675.db2.gz WMFOCVGGZBPXRN-FQEVSTJZSA-N 1 1 311.473 3.790 20 30 DHEDMO CC(C)c1nnc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)[nH]1 ZINC000611395148 1019468946 /nfs/dbraw/zinc/46/89/46/1019468946.db2.gz NJNOPDBKFJCTLO-MLGOLLRUSA-N 1 1 309.417 3.528 20 30 DHEDMO COC(=O)c1oc(C[NH2+][C@@H](CCC#N)c2ccccc2)cc1C ZINC000611406998 1019473711 /nfs/dbraw/zinc/47/37/11/1019473711.db2.gz RGQIBWSRJLHRTL-INIZCTEOSA-N 1 1 312.369 3.509 20 30 DHEDMO CCc1nn(C)cc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000611410788 1019476491 /nfs/dbraw/zinc/47/64/91/1019476491.db2.gz IKBJDHQTKHPSCA-UHFFFAOYSA-N 1 1 310.445 3.512 20 30 DHEDMO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cn1 ZINC000611524506 1019508014 /nfs/dbraw/zinc/50/80/14/1019508014.db2.gz LFKMHDKWJZEZJL-KRWDZBQOSA-N 1 1 301.340 3.718 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)cc1C#N ZINC000611554540 1019520891 /nfs/dbraw/zinc/52/08/91/1019520891.db2.gz UIJGPUDOSKQRTQ-SMDDNHRTSA-N 1 1 312.335 3.730 20 30 DHEDMO N#Cc1ccc(F)c(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)c1 ZINC000347689605 1019578586 /nfs/dbraw/zinc/57/85/86/1019578586.db2.gz WDHAYGVGQXLPRV-KRWDZBQOSA-N 1 1 318.779 3.564 20 30 DHEDMO CC(=[NH+]NCc1ccc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000727060656 1019606714 /nfs/dbraw/zinc/60/67/14/1019606714.db2.gz UKDZKDAVVNWOIB-UHFFFAOYSA-N 1 1 303.356 3.545 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(C)c1OC ZINC000347598782 1019763520 /nfs/dbraw/zinc/76/35/20/1019763520.db2.gz XTDMFCBOEFUBTG-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO C=C(C)CNC(=S)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000727979190 1019851926 /nfs/dbraw/zinc/85/19/26/1019851926.db2.gz SSABKAYQKUYKHG-UHFFFAOYSA-N 1 1 317.502 3.911 20 30 DHEDMO C[C@H]1C[C@H](N(CCC#N)C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171754249 1032859874 /nfs/dbraw/zinc/85/98/74/1032859874.db2.gz BCCQUGNKRHNZQX-PXNSSMCTSA-N 1 1 311.473 3.808 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000081535777 1019953494 /nfs/dbraw/zinc/95/34/94/1019953494.db2.gz HNOLEXDJRVYOHN-OAQYLSRUSA-N 1 1 320.436 3.820 20 30 DHEDMO N#Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000317234059 1019968123 /nfs/dbraw/zinc/96/81/23/1019968123.db2.gz DHPIPUFTULUVKY-OLZOCXBDSA-N 1 1 309.335 3.616 20 30 DHEDMO N#Cc1cc(C[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)cs1 ZINC000922300602 1019978571 /nfs/dbraw/zinc/97/85/71/1019978571.db2.gz OXPPKVBQHWFOPC-OAHLLOKOSA-N 1 1 324.808 3.626 20 30 DHEDMO CCCC(N)=[NH+]OCc1csc(CCc2ccccc2)n1 ZINC000084505850 1020032101 /nfs/dbraw/zinc/03/21/01/1020032101.db2.gz SMOYTUZGMLJJAS-UHFFFAOYSA-N 1 1 303.431 3.517 20 30 DHEDMO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000731033003 1020057605 /nfs/dbraw/zinc/05/76/05/1020057605.db2.gz SLXBLRQJALQCBH-HNNXBMFYSA-N 1 1 300.446 3.963 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000731211543 1020080186 /nfs/dbraw/zinc/08/01/86/1020080186.db2.gz NIJKMMVGFQFXFM-IBGZPJMESA-N 1 1 324.399 3.935 20 30 DHEDMO CC(=O)Nc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000154373727 1020102398 /nfs/dbraw/zinc/10/23/98/1020102398.db2.gz DXHVIEBVDVDQNW-UHFFFAOYSA-N 1 1 321.424 3.927 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093102439 1020134184 /nfs/dbraw/zinc/13/41/84/1020134184.db2.gz KOQDFVBOYJUHQJ-CYBMUJFWSA-N 1 1 300.427 3.691 20 30 DHEDMO CC(C)(C#N)c1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1 ZINC000922576734 1020137553 /nfs/dbraw/zinc/13/75/53/1020137553.db2.gz FBHRXNJAQLIOJG-QGZVFWFLSA-N 1 1 306.413 3.519 20 30 DHEDMO N#Cc1csc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000093838541 1020177809 /nfs/dbraw/zinc/17/78/09/1020177809.db2.gz NJFWUVAHEDXUGV-CYBMUJFWSA-N 1 1 318.829 3.926 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000093838541 1020177814 /nfs/dbraw/zinc/17/78/14/1020177814.db2.gz NJFWUVAHEDXUGV-CYBMUJFWSA-N 1 1 318.829 3.926 20 30 DHEDMO C[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccc(C#N)cc1 ZINC000124611412 1020199882 /nfs/dbraw/zinc/19/98/82/1020199882.db2.gz BAOABELWEKPOKW-CYBMUJFWSA-N 1 1 320.421 3.928 20 30 DHEDMO C[C@H](CSc1ccc(Cl)cc1)[NH2+]Cc1ncc(C#N)s1 ZINC001172880499 1033454640 /nfs/dbraw/zinc/45/46/40/1033454640.db2.gz SATFUKYDANZSIH-SNVBAGLBSA-N 1 1 323.874 3.939 20 30 DHEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ncc(CC)s2)cc1 ZINC000130484625 1032889171 /nfs/dbraw/zinc/88/91/71/1032889171.db2.gz MCXPIJWGCNVPBF-CYBMUJFWSA-N 1 1 300.427 3.568 20 30 DHEDMO CCS[C@H]1CCCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000732569311 1020253654 /nfs/dbraw/zinc/25/36/54/1020253654.db2.gz KBRMHCADXBHBDK-SFHVURJKSA-N 1 1 318.486 3.935 20 30 DHEDMO C=CC[N@@H+](CC1CCCCC1)Cn1ccc(C(F)(F)F)n1 ZINC000732671954 1020267254 /nfs/dbraw/zinc/26/72/54/1020267254.db2.gz YMLUQIIEWHJFOM-UHFFFAOYSA-N 1 1 301.356 3.928 20 30 DHEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2ccnc(C#N)c2)c1 ZINC000612137797 1020327083 /nfs/dbraw/zinc/32/70/83/1020327083.db2.gz WLYOUGJNWAKKFQ-KUHUBIRLSA-N 1 1 307.397 3.545 20 30 DHEDMO CCOc1ccccc1C[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000125731088 1020343047 /nfs/dbraw/zinc/34/30/47/1020343047.db2.gz XGMBNDBTMXXXAB-UHFFFAOYSA-N 1 1 324.424 3.606 20 30 DHEDMO CCOc1ccccc1C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000125731088 1020343059 /nfs/dbraw/zinc/34/30/59/1020343059.db2.gz XGMBNDBTMXXXAB-UHFFFAOYSA-N 1 1 324.424 3.606 20 30 DHEDMO N#CCCOCC[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000338890798 1020345095 /nfs/dbraw/zinc/34/50/95/1020345095.db2.gz ZCPVYSYVTDYWQN-UHFFFAOYSA-N 1 1 308.425 3.662 20 30 DHEDMO CC[N@@H+](Cc1cccc(C(=O)OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125769981 1020346965 /nfs/dbraw/zinc/34/69/65/1020346965.db2.gz IWSIVDQXIPCTEY-HNNXBMFYSA-N 1 1 322.408 3.928 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001171805688 1032896227 /nfs/dbraw/zinc/89/62/27/1032896227.db2.gz ZUMFVEWZOKRGOE-INIZCTEOSA-N 1 1 313.401 3.869 20 30 DHEDMO N#Cc1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C(F)(F)F ZINC000364172068 1020422846 /nfs/dbraw/zinc/42/28/46/1020422846.db2.gz BVGSMMGOLJXINN-KBPBESRZSA-N 1 1 309.335 3.616 20 30 DHEDMO CC[N@@H+](CCC(=O)OC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000055059356 1020425298 /nfs/dbraw/zinc/42/52/98/1020425298.db2.gz MGIQRPCZCFMRBL-AWEZNQCLSA-N 1 1 302.418 3.673 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001171840227 1032903038 /nfs/dbraw/zinc/90/30/38/1032903038.db2.gz CAWPWHHFQSPNQN-INIZCTEOSA-N 1 1 322.493 3.922 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001171846787 1032903258 /nfs/dbraw/zinc/90/32/58/1032903258.db2.gz FBKDRMNMOJWHRK-HNNXBMFYSA-N 1 1 308.466 3.532 20 30 DHEDMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(c2cccc(F)c2C#N)C1 ZINC000364565925 1020471077 /nfs/dbraw/zinc/47/10/77/1020471077.db2.gz SVPMLJWPEKUILB-CQSZACIVSA-N 1 1 312.392 3.859 20 30 DHEDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)C1 ZINC000364676321 1020485685 /nfs/dbraw/zinc/48/56/85/1020485685.db2.gz NMEYDNRWPHMSOK-KUHUBIRLSA-N 1 1 322.412 3.620 20 30 DHEDMO C[C@H]1CCN(c2cccc(F)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000301440108 1020511394 /nfs/dbraw/zinc/51/13/94/1020511394.db2.gz LYZYIKIXFYLJQI-INIZCTEOSA-N 1 1 323.415 3.798 20 30 DHEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168654286 1020573879 /nfs/dbraw/zinc/57/38/79/1020573879.db2.gz RSCPFQRRXQLNOK-IEBWSBKVSA-N 1 1 316.445 3.931 20 30 DHEDMO Cn1cc(C[NH+]2CCC(c3c(F)cccc3F)CC2)cc1C#N ZINC000365235128 1020577719 /nfs/dbraw/zinc/57/77/19/1020577719.db2.gz SFRJBEASZXMPTB-UHFFFAOYSA-N 1 1 315.367 3.555 20 30 DHEDMO CCCCCCCCCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000734285167 1020581801 /nfs/dbraw/zinc/58/18/01/1020581801.db2.gz HFJNUPXTMJHRQY-MRXNPFEDSA-N 1 1 309.498 3.615 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1nc(-c2ccccc2)cs1 ZINC000612514973 1020597999 /nfs/dbraw/zinc/59/79/99/1020597999.db2.gz INZGRAKWKCKJCW-CYBMUJFWSA-N 1 1 320.421 3.928 20 30 DHEDMO C=CC[N@@H+](CCOc1ccccc1OC)CCc1ccccc1 ZINC000065959288 1020604671 /nfs/dbraw/zinc/60/46/71/1020604671.db2.gz CTQHVHONKVFCOT-UHFFFAOYSA-N 1 1 311.425 3.805 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)NC1CCCCCC1 ZINC000065959743 1020605257 /nfs/dbraw/zinc/60/52/57/1020605257.db2.gz YHDJIGLUXVBHEM-UHFFFAOYSA-N 1 1 314.473 3.556 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)NC1CCCCCC1 ZINC000065959743 1020605261 /nfs/dbraw/zinc/60/52/61/1020605261.db2.gz YHDJIGLUXVBHEM-UHFFFAOYSA-N 1 1 314.473 3.556 20 30 DHEDMO Clc1ccccc1C[NH+]1CCC(=NO[C@H]2CCCCO2)CC1 ZINC000755820592 1020610095 /nfs/dbraw/zinc/61/00/95/1020610095.db2.gz XABMZHBUAOULGK-KRWDZBQOSA-N 1 1 322.836 3.835 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2N2CCCCC2)c(F)c1 ZINC000264358509 1032913808 /nfs/dbraw/zinc/91/38/08/1032913808.db2.gz FRNCONQFXLMKFP-UHFFFAOYSA-N 1 1 323.415 3.977 20 30 DHEDMO CCCCCCCCCNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000734656079 1020640949 /nfs/dbraw/zinc/64/09/49/1020640949.db2.gz YXVKPCKJCSNQBZ-KRWDZBQOSA-N 1 1 311.514 3.720 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)[C@@H](C)c2ccco2)cc(OC)c1O ZINC000131065677 1032919467 /nfs/dbraw/zinc/91/94/67/1032919467.db2.gz XEMUJWMMCQBVHG-ZDUSSCGKSA-N 1 1 301.386 3.915 20 30 DHEDMO Cc1ccn2c(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)cnc2c1 ZINC000180029224 1020709707 /nfs/dbraw/zinc/70/97/07/1020709707.db2.gz QWKPBFZDLAQQTJ-UHFFFAOYSA-N 1 1 316.408 3.679 20 30 DHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000735309067 1020714673 /nfs/dbraw/zinc/71/46/73/1020714673.db2.gz FBDMXYSAPIMUMD-ZDUSSCGKSA-N 1 1 316.788 3.825 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc(OC)c1O ZINC000131173514 1032923812 /nfs/dbraw/zinc/92/38/12/1032923812.db2.gz INVQJDISBLEIRX-UHFFFAOYSA-N 1 1 322.408 3.633 20 30 DHEDMO C=CCCC[N@H+](C)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000736582838 1020822587 /nfs/dbraw/zinc/82/25/87/1020822587.db2.gz KUFRCFUXCBRSJR-UHFFFAOYSA-N 1 1 313.397 3.730 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)C1CC1 ZINC000537853583 1032934982 /nfs/dbraw/zinc/93/49/82/1032934982.db2.gz QMDPGLGQNGJWJR-INIZCTEOSA-N 1 1 306.475 3.602 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)C1CC1 ZINC000537853583 1032934989 /nfs/dbraw/zinc/93/49/89/1032934989.db2.gz QMDPGLGQNGJWJR-INIZCTEOSA-N 1 1 306.475 3.602 20 30 DHEDMO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000738340460 1020870499 /nfs/dbraw/zinc/87/04/99/1020870499.db2.gz MYQKEVNRRCVKTM-CQSZACIVSA-N 1 1 310.372 3.847 20 30 DHEDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000738340460 1020870502 /nfs/dbraw/zinc/87/05/02/1020870502.db2.gz MYQKEVNRRCVKTM-CQSZACIVSA-N 1 1 310.372 3.847 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+](CCC#N)C(C)C)c1O ZINC000739842010 1020922004 /nfs/dbraw/zinc/92/20/04/1020922004.db2.gz SQECYGNQROINCU-UHFFFAOYSA-N 1 1 302.418 3.643 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@@H+](CCC#N)C(C)C)c1O ZINC000739842010 1020922008 /nfs/dbraw/zinc/92/20/08/1020922008.db2.gz SQECYGNQROINCU-UHFFFAOYSA-N 1 1 302.418 3.643 20 30 DHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@H](C)c1ccccc1 ZINC000739912743 1020923777 /nfs/dbraw/zinc/92/37/77/1020923777.db2.gz SOQZKAFNTBEXQZ-HNAYVOBHSA-N 1 1 322.408 3.508 20 30 DHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000739912743 1020923779 /nfs/dbraw/zinc/92/37/79/1020923779.db2.gz SOQZKAFNTBEXQZ-HNAYVOBHSA-N 1 1 322.408 3.508 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000131666229 1032941660 /nfs/dbraw/zinc/94/16/60/1032941660.db2.gz ONFDZUTXPCGEKT-HNNXBMFYSA-N 1 1 302.393 3.660 20 30 DHEDMO CCC[N@@H+](CC)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000264495312 1032942377 /nfs/dbraw/zinc/94/23/77/1032942377.db2.gz UFRLIKICQVZKQA-CQSZACIVSA-N 1 1 319.474 3.751 20 30 DHEDMO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1nc2c(s1)CCC2 ZINC000414155929 1020943330 /nfs/dbraw/zinc/94/33/30/1020943330.db2.gz OJULAUGLZNGDAM-IAQYHMDHSA-N 1 1 309.438 3.842 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000740873966 1020958015 /nfs/dbraw/zinc/95/80/15/1020958015.db2.gz QXSOPXKRIKMHEX-OAHLLOKOSA-N 1 1 322.408 3.565 20 30 DHEDMO CCCCCCCCCC[NH+]1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000740877057 1020958308 /nfs/dbraw/zinc/95/83/08/1020958308.db2.gz WZLINKKZBDCSHW-RBUKOAKNSA-N 1 1 310.526 3.658 20 30 DHEDMO CCCCCCCCCC[NH+]1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000740877058 1020958558 /nfs/dbraw/zinc/95/85/58/1020958558.db2.gz WZLINKKZBDCSHW-RTBURBONSA-N 1 1 310.526 3.658 20 30 DHEDMO CC1(C)C[C@@H](N2CCC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001171988803 1032946363 /nfs/dbraw/zinc/94/63/63/1032946363.db2.gz VXNGOIYAQJGRHU-MOPGFXCFSA-N 1 1 311.473 3.665 20 30 DHEDMO CCCCOC(=O)[C@H](C)[N@H+](CCC)Cc1ccc(C#N)cc1 ZINC000741777437 1021050218 /nfs/dbraw/zinc/05/02/18/1021050218.db2.gz XXPNBTQPFYRUDX-HNNXBMFYSA-N 1 1 302.418 3.502 20 30 DHEDMO CCCCOC(=O)[C@H](C)[N@@H+](CCC)Cc1ccc(C#N)cc1 ZINC000741777437 1021050226 /nfs/dbraw/zinc/05/02/26/1021050226.db2.gz XXPNBTQPFYRUDX-HNNXBMFYSA-N 1 1 302.418 3.502 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](Cc2nnc(C)o2)C(C)(C)C)cc1 ZINC000131856795 1032950739 /nfs/dbraw/zinc/95/07/39/1032950739.db2.gz FNGQEGFEKXNNJF-UHFFFAOYSA-N 1 1 315.417 3.744 20 30 DHEDMO C=CCOc1ccc(C[N@H+](Cc2nnc(C)o2)C(C)(C)C)cc1 ZINC000131856795 1032950751 /nfs/dbraw/zinc/95/07/51/1032950751.db2.gz FNGQEGFEKXNNJF-UHFFFAOYSA-N 1 1 315.417 3.744 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000472580932 1021076150 /nfs/dbraw/zinc/07/61/50/1021076150.db2.gz LYWYXOKASHCLSX-HOTGVXAUSA-N 1 1 311.878 3.757 20 30 DHEDMO COc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(C(F)(F)F)c1 ZINC001143478465 1021196601 /nfs/dbraw/zinc/19/66/01/1021196601.db2.gz FPXRBQPFERZTOU-GFCCVEGCSA-N 1 1 312.335 3.840 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(C(F)(F)F)c1 ZINC001143478465 1021196606 /nfs/dbraw/zinc/19/66/06/1021196606.db2.gz FPXRBQPFERZTOU-GFCCVEGCSA-N 1 1 312.335 3.840 20 30 DHEDMO N#CCCOCC[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000338914808 1021299337 /nfs/dbraw/zinc/29/93/37/1021299337.db2.gz CNTPVOVLLVMDBT-OAHLLOKOSA-N 1 1 323.234 3.516 20 30 DHEDMO CC[NH+](CC)[C@@H](C(=O)OCCC(C)(C)C#N)c1ccccc1 ZINC000776387149 1021333435 /nfs/dbraw/zinc/33/34/35/1021333435.db2.gz YPOVMIYGNTYWAW-MRXNPFEDSA-N 1 1 302.418 3.553 20 30 DHEDMO CC(C)(C#N)CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000776385490 1021333580 /nfs/dbraw/zinc/33/35/80/1021333580.db2.gz GCUSTJBPCWNPDT-QGZVFWFLSA-N 1 1 314.429 3.524 20 30 DHEDMO CC(C)(C#N)CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000776385490 1021333598 /nfs/dbraw/zinc/33/35/98/1021333598.db2.gz GCUSTJBPCWNPDT-QGZVFWFLSA-N 1 1 314.429 3.524 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C(=O)NCc2ccco2)c1)C(C)C ZINC000917830907 1021378287 /nfs/dbraw/zinc/37/82/87/1021378287.db2.gz XYHIXBKZDCZPER-UHFFFAOYSA-N 1 1 312.413 3.606 20 30 DHEDMO C[N@@H+](CCc1cccs1)Cc1cc(Cl)ccc1OCC#N ZINC000743859793 1021384326 /nfs/dbraw/zinc/38/43/26/1021384326.db2.gz JEEPVLLWAZSIGU-UHFFFAOYSA-N 1 1 320.845 3.978 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc1Br ZINC001236856650 1021392050 /nfs/dbraw/zinc/39/20/50/1021392050.db2.gz NMCQXOBPRMHLCS-UKRRQHHQSA-N 1 1 319.246 3.943 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000174855720 1021436019 /nfs/dbraw/zinc/43/60/19/1021436019.db2.gz FRLOQGQSYVQSHO-QGZVFWFLSA-N 1 1 314.429 3.524 20 30 DHEDMO C[N@@H+](CC1CCCCC1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744130423 1021440540 /nfs/dbraw/zinc/44/05/40/1021440540.db2.gz LGFHIHHHWPGLEC-UHFFFAOYSA-N 1 1 308.429 3.891 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H](O)c1c(F)cccc1F ZINC000744211593 1021469109 /nfs/dbraw/zinc/46/91/09/1021469109.db2.gz VVPKUVOBYOMZCW-GOSISDBHSA-N 1 1 317.379 3.729 20 30 DHEDMO C[C@@]1(C#N)CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172091056 1032985473 /nfs/dbraw/zinc/98/54/73/1032985473.db2.gz ZZSRRCRWVLAANB-WOZUAGRISA-N 1 1 323.484 3.808 20 30 DHEDMO C#CC[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)C1CCCCC1 ZINC000744390858 1021526879 /nfs/dbraw/zinc/52/68/79/1021526879.db2.gz LRMJJHBEQRELOG-UHFFFAOYSA-N 1 1 320.383 3.561 20 30 DHEDMO C=CCOCCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000850530884 1021584638 /nfs/dbraw/zinc/58/46/38/1021584638.db2.gz FOYBAZYSXIYPEW-JTQLQIEISA-N 1 1 304.217 3.942 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@H](CCO)c2ccccc2)cc1 ZINC000093442310 1021595381 /nfs/dbraw/zinc/59/53/81/1021595381.db2.gz HKADFAKAWGYVDQ-HXUWFJFHSA-N 1 1 311.425 3.807 20 30 DHEDMO C=CCCCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000556192672 1021598186 /nfs/dbraw/zinc/59/81/86/1021598186.db2.gz YVURYZNMNLLBNK-UHFFFAOYSA-N 1 1 320.864 3.844 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)c2nccn2C)cc1 ZINC000850571796 1021615131 /nfs/dbraw/zinc/61/51/31/1021615131.db2.gz AXRFYHGACDHRRP-KBPBESRZSA-N 1 1 319.836 3.963 20 30 DHEDMO C=CCC1(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000619111197 1021634020 /nfs/dbraw/zinc/63/40/20/1021634020.db2.gz XSIMFPQMTWPYOQ-GOSISDBHSA-N 1 1 312.457 3.514 20 30 DHEDMO Cc1cccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000565553999 1021647639 /nfs/dbraw/zinc/64/76/39/1021647639.db2.gz QURNLUJHRSBPCL-UHFFFAOYSA-N 1 1 321.424 3.716 20 30 DHEDMO Cc1cccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000565553999 1021647656 /nfs/dbraw/zinc/64/76/56/1021647656.db2.gz QURNLUJHRSBPCL-UHFFFAOYSA-N 1 1 321.424 3.716 20 30 DHEDMO N#Cc1cc2ccccc2nc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000858780090 1033000025 /nfs/dbraw/zinc/00/00/25/1033000025.db2.gz ILFAZINDGVHWDZ-KRWDZBQOSA-N 1 1 306.413 3.535 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1Br)CC1CCCC1 ZINC000480748149 1021673311 /nfs/dbraw/zinc/67/33/11/1021673311.db2.gz KVMVLIHLHVUVDP-UHFFFAOYSA-N 1 1 307.235 3.943 20 30 DHEDMO CC1(C)C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000763568381 1021743418 /nfs/dbraw/zinc/74/34/18/1021743418.db2.gz XNDMZGQKHNROOO-RBUKOAKNSA-N 1 1 306.409 3.675 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000644573031 1021772045 /nfs/dbraw/zinc/77/20/45/1021772045.db2.gz INXYVUPHSGWTDG-UHFFFAOYSA-N 1 1 314.473 3.632 20 30 DHEDMO COCC[N@@H+](Cc1cc(C)sc1C)Cc1ccc(C#N)cc1 ZINC000195000623 1021834055 /nfs/dbraw/zinc/83/40/55/1021834055.db2.gz KTKALLOWIDKRRC-UHFFFAOYSA-N 1 1 314.454 3.885 20 30 DHEDMO COCC[N@H+](CCC#N)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000619718668 1021848720 /nfs/dbraw/zinc/84/87/20/1021848720.db2.gz UPAIPXOPXYFPGI-ZDUSSCGKSA-N 1 1 314.351 3.671 20 30 DHEDMO COCC[N@@H+](CCC#N)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000619718668 1021848730 /nfs/dbraw/zinc/84/87/30/1021848730.db2.gz UPAIPXOPXYFPGI-ZDUSSCGKSA-N 1 1 314.351 3.671 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H]2CCCOc3cc(C)ccc32)CC1 ZINC000152963611 1021907902 /nfs/dbraw/zinc/90/79/02/1021907902.db2.gz CLRRCMJYRHXSDE-IBGZPJMESA-N 1 1 314.473 3.839 20 30 DHEDMO COc1ccccc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000556900687 1021935316 /nfs/dbraw/zinc/93/53/16/1021935316.db2.gz DENRQACNRDGMEW-RTBURBONSA-N 1 1 306.409 3.967 20 30 DHEDMO COc1ccccc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000556900687 1021935320 /nfs/dbraw/zinc/93/53/20/1021935320.db2.gz DENRQACNRDGMEW-RTBURBONSA-N 1 1 306.409 3.967 20 30 DHEDMO N#CC1(c2ccc(Nc3cc[nH+]cc3C(F)(F)F)cc2)CC1 ZINC001212245285 1021955595 /nfs/dbraw/zinc/95/55/95/1021955595.db2.gz JZEFNGMICMEEAC-UHFFFAOYSA-N 1 1 303.287 3.821 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000556950861 1021973400 /nfs/dbraw/zinc/97/34/00/1021973400.db2.gz WOUMLRUFHNPBLN-LJQANCHMSA-N 1 1 313.441 3.642 20 30 DHEDMO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001172113770 1033020883 /nfs/dbraw/zinc/02/08/83/1033020883.db2.gz LUJMUDUSAXUQAN-PMOLBWCYSA-N 1 1 323.484 3.559 20 30 DHEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001172113770 1033020895 /nfs/dbraw/zinc/02/08/95/1033020895.db2.gz LUJMUDUSAXUQAN-PMOLBWCYSA-N 1 1 323.484 3.559 20 30 DHEDMO C=CCC[C@@H]([NH2+]Cc1cnon1)c1ccc(C(F)(F)F)cc1 ZINC000851906432 1022038077 /nfs/dbraw/zinc/03/80/77/1022038077.db2.gz XAFCNUVBOWYIOP-CQSZACIVSA-N 1 1 311.307 3.886 20 30 DHEDMO Cc1ccc([C@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000341188815 1022043327 /nfs/dbraw/zinc/04/33/27/1022043327.db2.gz DSVOHVQMFVVQKQ-AWEZNQCLSA-N 1 1 318.380 3.768 20 30 DHEDMO C[N@@H+](CC[C@@H]1CCc2ccccc21)C[C@@H](O)c1cccc(C#N)c1 ZINC000852210561 1022089181 /nfs/dbraw/zinc/08/91/81/1022089181.db2.gz HTOYRJZEHHGFGV-GHTZIAJQSA-N 1 1 320.436 3.644 20 30 DHEDMO CCC[N@@H+](CCC(C)(C)C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000776581292 1022099168 /nfs/dbraw/zinc/09/91/68/1022099168.db2.gz BJHPNIRMLZJLLU-OAHLLOKOSA-N 1 1 323.481 3.648 20 30 DHEDMO C=CC[N@@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000746451081 1022101454 /nfs/dbraw/zinc/10/14/54/1022101454.db2.gz VZGVWNAKGBFUFA-HNNXBMFYSA-N 1 1 301.352 3.505 20 30 DHEDMO C#CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@H]1CCc2ccccc21 ZINC000746451014 1022102317 /nfs/dbraw/zinc/10/23/17/1022102317.db2.gz QYOCFOPNLBNWST-FQEVSTJZSA-N 1 1 316.404 3.690 20 30 DHEDMO C#CC[N@H+](Cc1cc(C#N)ccc1OC)[C@H]1CCc2ccccc21 ZINC000746451014 1022102327 /nfs/dbraw/zinc/10/23/27/1022102327.db2.gz QYOCFOPNLBNWST-FQEVSTJZSA-N 1 1 316.404 3.690 20 30 DHEDMO Cn1cc(-c2ccc(C[N@@H+](C)Cc3ccc(C#N)cc3)s2)cn1 ZINC000338944246 1022104737 /nfs/dbraw/zinc/10/47/37/1022104737.db2.gz JNOKTJCNLFYNSS-UHFFFAOYSA-N 1 1 322.437 3.652 20 30 DHEDMO CCCC(N)=[NH+]OCc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000180076773 1022107711 /nfs/dbraw/zinc/10/77/11/1022107711.db2.gz ZBAUYPXOGPBJAY-UHFFFAOYSA-N 1 1 307.394 3.623 20 30 DHEDMO Cc1ccccc1CCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328560 1022107776 /nfs/dbraw/zinc/10/77/76/1022107776.db2.gz HWKNTYWINZOSKX-NRFANRHFSA-N 1 1 319.452 3.880 20 30 DHEDMO Cc1ccccc1CCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328560 1022107780 /nfs/dbraw/zinc/10/77/80/1022107780.db2.gz HWKNTYWINZOSKX-NRFANRHFSA-N 1 1 319.452 3.880 20 30 DHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000852333769 1022109068 /nfs/dbraw/zinc/10/90/68/1022109068.db2.gz UWQDXEVESJCIIJ-QUCCMNQESA-N 1 1 303.409 3.626 20 30 DHEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC000852333769 1022109080 /nfs/dbraw/zinc/10/90/80/1022109080.db2.gz UWQDXEVESJCIIJ-QUCCMNQESA-N 1 1 303.409 3.626 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000620309317 1022118724 /nfs/dbraw/zinc/11/87/24/1022118724.db2.gz NQDUUCUOUJOXKN-ZCNNSNEGSA-N 1 1 324.468 3.751 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000076152808 1022123578 /nfs/dbraw/zinc/12/35/78/1022123578.db2.gz BIKFBPJKCNYJKT-PMACEKPBSA-N 1 1 301.393 3.830 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000076152808 1022123582 /nfs/dbraw/zinc/12/35/82/1022123582.db2.gz BIKFBPJKCNYJKT-PMACEKPBSA-N 1 1 301.393 3.830 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000195345808 1022131443 /nfs/dbraw/zinc/13/14/43/1022131443.db2.gz HFOJFALUSVVDFL-CYBMUJFWSA-N 1 1 301.390 3.533 20 30 DHEDMO CC1(C)C[N@@H+](CCOc2cccc(C#N)c2)Cc2ccccc21 ZINC001168859839 1022153710 /nfs/dbraw/zinc/15/37/10/1022153710.db2.gz SKCJOPGDXJYDRI-UHFFFAOYSA-N 1 1 306.409 3.730 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccccc1C(F)(F)F ZINC000852685669 1022159575 /nfs/dbraw/zinc/15/95/75/1022159575.db2.gz HUFOORAOJTYIEK-ZENOOKHLSA-N 1 1 311.347 3.922 20 30 DHEDMO Oc1ccccc1/C=N/C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000921261683 1022238025 /nfs/dbraw/zinc/23/80/25/1022238025.db2.gz SNXWWEAMWPDARZ-ALDSOSFCSA-N 1 1 308.425 3.723 20 30 DHEDMO N#CC1(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000347479906 1022260207 /nfs/dbraw/zinc/26/02/07/1022260207.db2.gz NIQWSIORJIRXOI-CYBMUJFWSA-N 1 1 301.459 3.505 20 30 DHEDMO N#CC1(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CC1 ZINC000347479906 1022260210 /nfs/dbraw/zinc/26/02/10/1022260210.db2.gz NIQWSIORJIRXOI-CYBMUJFWSA-N 1 1 301.459 3.505 20 30 DHEDMO C=C1CC(C(=O)N2CCC3(CCC[N@H+](C4CCCC4)C3)CC2)C1 ZINC001272708719 1022273351 /nfs/dbraw/zinc/27/33/51/1022273351.db2.gz BUDVLTIPEGZSIZ-UHFFFAOYSA-N 1 1 316.489 3.600 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C(=O)C2(CCC2)[C@H]1c1ccccc1 ZINC000853598834 1022296563 /nfs/dbraw/zinc/29/65/63/1022296563.db2.gz XHIWHBYWXBVVON-CEXWTWQISA-N 1 1 322.452 3.881 20 30 DHEDMO CC[C@@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000609625603 1022315374 /nfs/dbraw/zinc/31/53/74/1022315374.db2.gz ARXQQAUBEYFCLH-LJQANCHMSA-N 1 1 319.408 3.506 20 30 DHEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000609625603 1022315388 /nfs/dbraw/zinc/31/53/88/1022315388.db2.gz ARXQQAUBEYFCLH-LJQANCHMSA-N 1 1 319.408 3.506 20 30 DHEDMO N#Cc1ccc(OCC[N@H+](CCc2ccc(F)cc2)C2CC2)cc1 ZINC000609744353 1022339866 /nfs/dbraw/zinc/33/98/66/1022339866.db2.gz FCBYXVFWBZRRMP-UHFFFAOYSA-N 1 1 324.399 3.783 20 30 DHEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)CC1(c2ccccc2)CC1 ZINC001169293043 1022343114 /nfs/dbraw/zinc/34/31/14/1022343114.db2.gz RNENCPIMEGGARQ-UHFFFAOYSA-N 1 1 320.436 3.991 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](C)CC/C=C/c1ccc(Br)cc1 ZINC000609766368 1022349885 /nfs/dbraw/zinc/34/98/85/1022349885.db2.gz CZVSEAFIZXSTRB-LQPUYASZSA-N 1 1 307.235 3.944 20 30 DHEDMO C=C1CC(C(=O)N2CCC[C@]3(CCC[N@H+](C4CCCC4)C3)C2)C1 ZINC001272709587 1022369713 /nfs/dbraw/zinc/36/97/13/1022369713.db2.gz VNQRLDVAXZBHSI-FQEVSTJZSA-N 1 1 316.489 3.600 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000337531227 1033053043 /nfs/dbraw/zinc/05/30/43/1033053043.db2.gz VEHNZGYZETUBHU-INIZCTEOSA-N 1 1 316.493 3.689 20 30 DHEDMO CC1(C)Cc2c(cnn2-c2ccccc2)C[N@H+](CCCC#N)C1 ZINC000854061272 1022399627 /nfs/dbraw/zinc/39/96/27/1022399627.db2.gz BRJXOLMPWZKATA-UHFFFAOYSA-N 1 1 308.429 3.560 20 30 DHEDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000610004524 1022401264 /nfs/dbraw/zinc/40/12/64/1022401264.db2.gz ODOSCABSOPNBMQ-CQSZACIVSA-N 1 1 310.372 3.695 20 30 DHEDMO Cc1ccccc1C[N@H+](C)Cc1sc(N)c(C#N)c1Cl ZINC001141112349 1022402717 /nfs/dbraw/zinc/40/27/17/1022402717.db2.gz ZMXNYERPAQWONO-UHFFFAOYSA-N 1 1 305.834 3.796 20 30 DHEDMO Cc1ccccc1C[N@@H+](C)Cc1sc(N)c(C#N)c1Cl ZINC001141112349 1022402725 /nfs/dbraw/zinc/40/27/25/1022402725.db2.gz ZMXNYERPAQWONO-UHFFFAOYSA-N 1 1 305.834 3.796 20 30 DHEDMO C#CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C1CCCC1 ZINC000155888534 1022424192 /nfs/dbraw/zinc/42/41/92/1022424192.db2.gz GICOBUSXQLBKSL-UHFFFAOYSA-N 1 1 324.346 3.522 20 30 DHEDMO C#CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C1CCCC1 ZINC000155888534 1022424196 /nfs/dbraw/zinc/42/41/96/1022424196.db2.gz GICOBUSXQLBKSL-UHFFFAOYSA-N 1 1 324.346 3.522 20 30 DHEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(OC(F)(F)F)c1 ZINC000175708221 1022427836 /nfs/dbraw/zinc/42/78/36/1022427836.db2.gz DQIRJIBHBIDWNJ-RYUDHWBXSA-N 1 1 311.307 3.679 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)c1ccc(C)cc1C ZINC000615463737 1022491536 /nfs/dbraw/zinc/49/15/36/1022491536.db2.gz KWBWRPLNSYGPCP-QGZVFWFLSA-N 1 1 302.462 3.721 20 30 DHEDMO C#CCCCCCC[N@H+]1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC001169831754 1022551886 /nfs/dbraw/zinc/55/18/86/1022551886.db2.gz BSCCSVWQTTYIHD-OALUTQOASA-N 1 1 313.441 3.949 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000265973301 1022556796 /nfs/dbraw/zinc/55/67/96/1022556796.db2.gz AFHCKYLPELWTPX-IBGZPJMESA-N 1 1 306.409 3.654 20 30 DHEDMO CCCCCCCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000766845743 1022564175 /nfs/dbraw/zinc/56/41/75/1022564175.db2.gz KKVBDAOTYMWRKH-ZWKOTPCHSA-N 1 1 323.525 3.863 20 30 DHEDMO C=CC[NH+](CC=C)Cc1cc(Br)c(OC)s1 ZINC000158124402 1022605345 /nfs/dbraw/zinc/60/53/45/1022605345.db2.gz ZABDKETWCKILHD-UHFFFAOYSA-N 1 1 302.237 3.693 20 30 DHEDMO C#CCCC[N@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000766897041 1022606972 /nfs/dbraw/zinc/60/69/72/1022606972.db2.gz WLFZGRHXZOZCCZ-UHFFFAOYSA-N 1 1 309.356 3.674 20 30 DHEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)Cc1cc(F)c(F)c(F)c1 ZINC000180489382 1022736363 /nfs/dbraw/zinc/73/63/63/1022736363.db2.gz XBANVPBPGDMYEW-UHFFFAOYSA-N 1 1 308.278 3.747 20 30 DHEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1cc(F)c(F)c(F)c1 ZINC000180489382 1022736373 /nfs/dbraw/zinc/73/63/73/1022736373.db2.gz XBANVPBPGDMYEW-UHFFFAOYSA-N 1 1 308.278 3.747 20 30 DHEDMO COc1ccc2c(c1)C[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172309394 1033077844 /nfs/dbraw/zinc/07/78/44/1033077844.db2.gz TWCCGAABZQXNDE-OAHLLOKOSA-N 1 1 306.409 3.556 20 30 DHEDMO COc1ccc2c(c1)C[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172309392 1033079126 /nfs/dbraw/zinc/07/91/26/1033079126.db2.gz TWCCGAABZQXNDE-HNNXBMFYSA-N 1 1 306.409 3.556 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC001172311151 1033079571 /nfs/dbraw/zinc/07/95/71/1033079571.db2.gz QAZPDXHGNFYLKW-AWEZNQCLSA-N 1 1 305.381 3.762 20 30 DHEDMO Fc1ccc(C[NH2+]CC#Cc2ccccc2)c(Br)c1 ZINC000767921241 1022835876 /nfs/dbraw/zinc/83/58/76/1022835876.db2.gz UOZGOXLPKNWKAN-UHFFFAOYSA-N 1 1 318.189 3.730 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@H](C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC001172318612 1033084409 /nfs/dbraw/zinc/08/44/09/1033084409.db2.gz HPMNWPAIZZXMPH-OAHLLOKOSA-N 1 1 324.424 3.638 20 30 DHEDMO CC(C)CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000053365056 1022849841 /nfs/dbraw/zinc/84/98/41/1022849841.db2.gz CQWWIMDAHMMAFU-GFCCVEGCSA-N 1 1 307.825 3.517 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)OCCCc1[nH+]cc(C)c(OC)c1C ZINC000768012598 1022863902 /nfs/dbraw/zinc/86/39/02/1022863902.db2.gz YVGPPDIZYMUGLT-CYBMUJFWSA-N 1 1 305.418 3.785 20 30 DHEDMO C[N@H+]1CCC[C@@H](c2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000856778401 1022864971 /nfs/dbraw/zinc/86/49/71/1022864971.db2.gz LCJJRTHRNBJLGS-GOSISDBHSA-N 1 1 319.408 3.620 20 30 DHEDMO CCC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000069092166 1022896467 /nfs/dbraw/zinc/89/64/67/1022896467.db2.gz IDCNABOUDBNGBR-LBPRGKRZSA-N 1 1 319.474 3.557 20 30 DHEDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000092528791 1022901062 /nfs/dbraw/zinc/90/10/62/1022901062.db2.gz KIYBHBUGLUKUGX-OAHLLOKOSA-N 1 1 323.481 3.553 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(Cl)nc1 ZINC000069220854 1022951949 /nfs/dbraw/zinc/95/19/49/1022951949.db2.gz XAVXQGXHELDEQU-UHFFFAOYSA-N 1 1 302.805 3.932 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(Cl)nc1 ZINC000069220854 1022951951 /nfs/dbraw/zinc/95/19/51/1022951951.db2.gz XAVXQGXHELDEQU-UHFFFAOYSA-N 1 1 302.805 3.932 20 30 DHEDMO COc1ccc(C[NH2+]CC2(C#N)CCC2)cc1OCCC(C)C ZINC000418141762 1022974547 /nfs/dbraw/zinc/97/45/47/1022974547.db2.gz LSFHQRIJBSQLPY-UHFFFAOYSA-N 1 1 316.445 3.904 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(C)c(C(F)(F)F)c2)no1 ZINC001212325294 1022999515 /nfs/dbraw/zinc/99/95/15/1022999515.db2.gz MTHZUKAANABKNB-ZDUSSCGKSA-N 1 1 323.318 3.867 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(OC)c3ccccc23)no1 ZINC001212325627 1023004564 /nfs/dbraw/zinc/00/45/64/1023004564.db2.gz XZEXAJNNXUNNQI-INIZCTEOSA-N 1 1 321.380 3.702 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+](Cc2ccccn2)C(C)C)cc1 ZINC000768926902 1023057515 /nfs/dbraw/zinc/05/75/15/1023057515.db2.gz SBVCIUOUPGMIKU-UHFFFAOYSA-N 1 1 308.425 3.894 20 30 DHEDMO C#CCOc1ccc(C[N@H+](CC=C)Cc2cccc(C#N)c2)cc1 ZINC000769107447 1023085621 /nfs/dbraw/zinc/08/56/21/1023085621.db2.gz VOTYYLONCQJQEW-UHFFFAOYSA-N 1 1 316.404 3.758 20 30 DHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1CC[C@H](C)[C@H](C)C1)C2 ZINC001172372496 1033105974 /nfs/dbraw/zinc/10/59/74/1033105974.db2.gz IOAHPNSHQOHDKM-OMQSBVIBSA-N 1 1 321.505 3.885 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000931289704 1023163871 /nfs/dbraw/zinc/16/38/71/1023163871.db2.gz BPYZDTYQIPUKIT-INIZCTEOSA-N 1 1 315.461 3.659 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC000769505777 1023169088 /nfs/dbraw/zinc/16/90/88/1023169088.db2.gz IONBHFIBWPRDNL-APWZRJJASA-N 1 1 306.409 3.794 20 30 DHEDMO CC(=[NH+]NCc1ccc(F)c(F)c1)c1ccccc1N(C)C ZINC000769570735 1023182211 /nfs/dbraw/zinc/18/22/11/1023182211.db2.gz RACGYLQYIYONIM-UHFFFAOYSA-N 1 1 303.356 3.545 20 30 DHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)CCO2 ZINC001172377332 1033112334 /nfs/dbraw/zinc/11/23/34/1033112334.db2.gz LZLOUTZKWGHVIY-USYVTKNRSA-N 1 1 321.505 3.885 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)CC2 ZINC001172376176 1033112713 /nfs/dbraw/zinc/11/27/13/1033112713.db2.gz ICCFICQNGVNMIH-RMJJICAUSA-N 1 1 318.505 3.844 20 30 DHEDMO CCN(CC)c1ccc(C=[NH+]NCc2ccc(C#N)cc2)cc1F ZINC000769820490 1023210602 /nfs/dbraw/zinc/21/06/02/1023210602.db2.gz GARPVCRZOOJGAH-UHFFFAOYSA-N 1 1 324.403 3.667 20 30 DHEDMO N#Cc1ccc(CN[NH+]=Cc2ccc(N3CCCCC3)s2)cc1 ZINC000769820566 1023211198 /nfs/dbraw/zinc/21/11/98/1023211198.db2.gz IQGHBPXLKKRMFP-UHFFFAOYSA-N 1 1 324.453 3.734 20 30 DHEDMO Cc1cc(C[NH2+]C#C[Si](C(C)C)(C(C)C)C(C)C)nn1C ZINC001167765406 1023267874 /nfs/dbraw/zinc/26/78/74/1023267874.db2.gz IVWBMFMFCUTAJD-UHFFFAOYSA-N 1 1 305.542 3.997 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000829810892 1023389868 /nfs/dbraw/zinc/38/98/68/1023389868.db2.gz VWACAZSEAVIUDG-LLVKDONJSA-N 1 1 302.365 3.706 20 30 DHEDMO C[N@H+](CCCCC(C)(C)C#N)c1ccc(N2CCOCC2)cc1 ZINC000859385904 1033131841 /nfs/dbraw/zinc/13/18/41/1033131841.db2.gz YKLGWMMUMDXFRG-UHFFFAOYSA-N 1 1 315.461 3.679 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)c1ccc(N2CCOCC2)cc1 ZINC000859385904 1033131848 /nfs/dbraw/zinc/13/18/48/1033131848.db2.gz YKLGWMMUMDXFRG-UHFFFAOYSA-N 1 1 315.461 3.679 20 30 DHEDMO C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)C[C@H](C)C1(F)F ZINC000859411602 1033136825 /nfs/dbraw/zinc/13/68/25/1033136825.db2.gz LFGSVJUGVQTJMQ-OKILXGFUSA-N 1 1 308.372 3.550 20 30 DHEDMO CC[C@@H]1C[N@@H+](C[C@H](C)CCC#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000876762642 1033138184 /nfs/dbraw/zinc/13/81/84/1033138184.db2.gz GDWYJKNYLRIVFL-BZUAXINKSA-N 1 1 323.481 3.551 20 30 DHEDMO CCCCCCC[C@H](CC)[N@H+]1Cc2ccnn2CC[C@@H]1CO ZINC001172362476 1033141283 /nfs/dbraw/zinc/14/12/83/1033141283.db2.gz ZBKKVBHTRKJJIR-FUHWJXTLSA-N 1 1 307.482 3.589 20 30 DHEDMO C#CC[N@@H+](Cc1cccc(OC)c1OC)[C@H]1CCc2ccccc21 ZINC000772600734 1023578223 /nfs/dbraw/zinc/57/82/23/1023578223.db2.gz YAVQIQVIQZBIOP-IBGZPJMESA-N 1 1 321.420 3.827 20 30 DHEDMO C#CC[N@H+](Cc1cccc(OC)c1OC)[C@H]1CCc2ccccc21 ZINC000772600734 1023578230 /nfs/dbraw/zinc/57/82/30/1023578230.db2.gz YAVQIQVIQZBIOP-IBGZPJMESA-N 1 1 321.420 3.827 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000661381366 1023583089 /nfs/dbraw/zinc/58/30/89/1023583089.db2.gz JPPLCUDSHOEETN-INIZCTEOSA-N 1 1 314.429 3.506 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000859445121 1033143369 /nfs/dbraw/zinc/14/33/69/1033143369.db2.gz BOQLFUPTISEJIC-KRWDZBQOSA-N 1 1 314.473 3.700 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000661384725 1023586685 /nfs/dbraw/zinc/58/66/85/1023586685.db2.gz KPXNEDXSGKRWFK-MRXNPFEDSA-N 1 1 306.494 3.559 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000785999561 1023650238 /nfs/dbraw/zinc/65/02/38/1023650238.db2.gz WFYWMKSWDLODGM-HZPDHXFCSA-N 1 1 308.466 3.674 20 30 DHEDMO Cc1[nH+]c(N)ccc1CNc1nccc(-c2ccccc2)c1C#N ZINC001167782481 1023711922 /nfs/dbraw/zinc/71/19/22/1023711922.db2.gz VFCNIJFGYROXGY-UHFFFAOYSA-N 1 1 315.380 3.518 20 30 DHEDMO C[C@H](OC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000786883487 1023738032 /nfs/dbraw/zinc/73/80/32/1023738032.db2.gz RCGFNMZXASNKCL-KBXCAEBGSA-N 1 1 312.413 3.569 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661874054 1023789182 /nfs/dbraw/zinc/78/91/82/1023789182.db2.gz HHNDGHXAOIXZJG-HKUYNNGSSA-N 1 1 317.860 3.973 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000661874102 1023791468 /nfs/dbraw/zinc/79/14/68/1023791468.db2.gz IFZFMIGZQXEBPN-HKUYNNGSSA-N 1 1 317.860 3.973 20 30 DHEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000787997150 1023836010 /nfs/dbraw/zinc/83/60/10/1023836010.db2.gz GTJIFYOBXDPKPI-UHFFFAOYSA-N 1 1 317.230 3.841 20 30 DHEDMO C#CCC1(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCCCC1 ZINC000788160904 1023859114 /nfs/dbraw/zinc/85/91/14/1023859114.db2.gz MLSPMNKSCCOTDU-SFHVURJKSA-N 1 1 318.505 3.731 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000662078783 1023887581 /nfs/dbraw/zinc/88/75/81/1023887581.db2.gz GQPKMPARNRKOKE-BMFZPTHFSA-N 1 1 316.470 3.919 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000662078177 1023889493 /nfs/dbraw/zinc/88/94/93/1023889493.db2.gz CHGVKXDSCOSTPD-BMFZPTHFSA-N 1 1 302.393 3.644 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000662086331 1023892826 /nfs/dbraw/zinc/89/28/26/1023892826.db2.gz RFKKAFZDWNMDHQ-HRCADAONSA-N 1 1 314.429 3.514 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000662086292 1023895771 /nfs/dbraw/zinc/89/57/71/1023895771.db2.gz QIUVHHKODPMWHI-BHYGNILZSA-N 1 1 314.429 3.595 20 30 DHEDMO C=C[C@H](CO)[NH2+]Cc1csc(-c2ccc(C(C)C)cc2)n1 ZINC000662168000 1023936998 /nfs/dbraw/zinc/93/69/98/1023936998.db2.gz XHAYEXHQYNJSOF-OAHLLOKOSA-N 1 1 302.443 3.570 20 30 DHEDMO C=CCN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)C(C)C ZINC000746773276 1023949088 /nfs/dbraw/zinc/94/90/88/1023949088.db2.gz GTAUMRDIXDETDB-QGZVFWFLSA-N 1 1 317.477 3.503 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000876885346 1033175771 /nfs/dbraw/zinc/17/57/71/1033175771.db2.gz NNPGIIIARPFEER-AWEZNQCLSA-N 1 1 315.829 3.933 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000789307349 1024041709 /nfs/dbraw/zinc/04/17/09/1024041709.db2.gz XJLLFRXDSWUQPP-KRWDZBQOSA-N 1 1 300.446 3.615 20 30 DHEDMO C=CC[N@H+](CCCc1nc(C)no1)Cc1ccc(Cl)s1 ZINC000266852782 1024044059 /nfs/dbraw/zinc/04/40/59/1024044059.db2.gz DBCUSLGGZFFDBF-UHFFFAOYSA-N 1 1 311.838 3.714 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+][C@H](CCc1ccccc1)c1ccccn1 ZINC000601967085 1024053808 /nfs/dbraw/zinc/05/38/08/1024053808.db2.gz HSQMVPVXLWXGTK-AZUAARDMSA-N 1 1 318.424 3.789 20 30 DHEDMO C[N@@H+](CC(=O)N[C@@H](CCCC#N)c1ccccc1)CC(C)(C)C ZINC000602156992 1024086246 /nfs/dbraw/zinc/08/62/46/1024086246.db2.gz AWJAFECLFFRMDU-KRWDZBQOSA-N 1 1 315.461 3.516 20 30 DHEDMO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@@H]1CC1(C)C ZINC000662348613 1024120555 /nfs/dbraw/zinc/12/05/55/1024120555.db2.gz WIUWAHPMVJTNGQ-HNNXBMFYSA-N 1 1 323.440 3.716 20 30 DHEDMO CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000268649419 1024138630 /nfs/dbraw/zinc/13/86/30/1024138630.db2.gz GEWPNOLCRFPVML-YWZLYKJASA-N 1 1 319.408 3.546 20 30 DHEDMO CC(C)Oc1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000876943107 1033190404 /nfs/dbraw/zinc/19/04/04/1033190404.db2.gz BZWWSMPNCHDVES-UHFFFAOYSA-N 1 1 315.804 3.684 20 30 DHEDMO C=CC(C)(C)CNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000452777375 1024193667 /nfs/dbraw/zinc/19/36/67/1024193667.db2.gz UMVJBVKHYWNTQD-UHFFFAOYSA-N 1 1 300.446 3.613 20 30 DHEDMO CC(C)N(C)c1ccc(C=[NH+]NCc2ccccc2Cl)cn1 ZINC000790156521 1024232032 /nfs/dbraw/zinc/23/20/32/1024232032.db2.gz CHRVXGPBJBHADY-UHFFFAOYSA-N 1 1 316.836 3.703 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)ccc1F ZINC000121545041 1024270195 /nfs/dbraw/zinc/27/01/95/1024270195.db2.gz OMXHLRNGHMRDAD-GOSISDBHSA-N 1 1 324.399 3.736 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000269688232 1024305193 /nfs/dbraw/zinc/30/51/93/1024305193.db2.gz VRLVMWVIPSNAJI-WOJBJXKFSA-N 1 1 324.399 3.785 20 30 DHEDMO C[N@@H+](CCc1ccccc1)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000159340078 1024336965 /nfs/dbraw/zinc/33/69/65/1024336965.db2.gz PRULXWNOPISNCE-UHFFFAOYSA-N 1 1 317.392 3.888 20 30 DHEDMO CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000105423454 1024369674 /nfs/dbraw/zinc/36/96/74/1024369674.db2.gz GJHFLOMFVLRVBW-HNNXBMFYSA-N 1 1 319.836 3.805 20 30 DHEDMO CCC[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000348802605 1024391314 /nfs/dbraw/zinc/39/13/14/1024391314.db2.gz AYKFTAIKHSTTOJ-INIZCTEOSA-N 1 1 310.401 3.763 20 30 DHEDMO C[N@@H+](CCC(C)(C)C#N)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000131767950 1024432012 /nfs/dbraw/zinc/43/20/12/1024432012.db2.gz UNKVHIXNMLUABP-UHFFFAOYSA-N 1 1 323.481 3.694 20 30 DHEDMO C#Cc1cccc(N(CC)C(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC000791125971 1024441814 /nfs/dbraw/zinc/44/18/14/1024441814.db2.gz BVDDHMKNRABJGF-UHFFFAOYSA-N 1 1 312.457 3.675 20 30 DHEDMO C[C@H](c1ccsc1)[NH+]1CCN(Cc2csc(C#N)c2)CC1 ZINC000893620615 1024470037 /nfs/dbraw/zinc/47/00/37/1024470037.db2.gz KYWLAZRKBRMBAT-CYBMUJFWSA-N 1 1 317.483 3.560 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC12CCC2 ZINC000271351807 1024493146 /nfs/dbraw/zinc/49/31/46/1024493146.db2.gz OSUMIWHEPHBPMK-CQSZACIVSA-N 1 1 322.412 3.620 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000339140516 1024577016 /nfs/dbraw/zinc/57/70/16/1024577016.db2.gz FLCIEHOFMBKUPD-ZBFHGGJFSA-N 1 1 306.475 3.698 20 30 DHEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000348715438 1024608852 /nfs/dbraw/zinc/60/88/52/1024608852.db2.gz PTLMIBZCLJKVJV-KXBFYZLASA-N 1 1 323.440 3.879 20 30 DHEDMO CCCCCCCCC[N@H+]1CCCN(C[C@H]2CCCO2)CC1 ZINC000792208923 1024647894 /nfs/dbraw/zinc/64/78/94/1024647894.db2.gz LJUVFLXXVIUXRC-LJQANCHMSA-N 1 1 310.526 3.924 20 30 DHEDMO CCCCCCCCCN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000792208923 1024647898 /nfs/dbraw/zinc/64/78/98/1024647898.db2.gz LJUVFLXXVIUXRC-LJQANCHMSA-N 1 1 310.526 3.924 20 30 DHEDMO CCCCCCCCCN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000792208923 1024647904 /nfs/dbraw/zinc/64/79/04/1024647904.db2.gz LJUVFLXXVIUXRC-LJQANCHMSA-N 1 1 310.526 3.924 20 30 DHEDMO COc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1F ZINC000182026920 1024649601 /nfs/dbraw/zinc/64/96/01/1024649601.db2.gz JAJAEUSYZQXVFY-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO O[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000792246994 1024652593 /nfs/dbraw/zinc/65/25/93/1024652593.db2.gz UADJVUXKFZFQNX-LEWJYISDSA-N 1 1 305.421 3.626 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@H]2CC[C@H](C#N)CC2)nc1 ZINC001167842051 1024666536 /nfs/dbraw/zinc/66/65/36/1024666536.db2.gz CVKLMNVIZYUILM-JFIYKMOQSA-N 1 1 312.461 3.950 20 30 DHEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000475727703 1024685365 /nfs/dbraw/zinc/68/53/65/1024685365.db2.gz PGYKFZKSPMDRGL-FRRDWIJNSA-N 1 1 319.836 3.517 20 30 DHEDMO C[C@H](CCCC#N)N1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172498291 1033228971 /nfs/dbraw/zinc/22/89/71/1033228971.db2.gz LCNPGHAYNINKEI-MISYRCLQSA-N 1 1 311.473 3.523 20 30 DHEDMO C[C@H](CCCC#N)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001172498291 1033228978 /nfs/dbraw/zinc/22/89/78/1033228978.db2.gz LCNPGHAYNINKEI-MISYRCLQSA-N 1 1 311.473 3.523 20 30 DHEDMO C[C@@H](CCCC#N)[N@@H+](C)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001172498867 1033229954 /nfs/dbraw/zinc/22/99/54/1033229954.db2.gz SAYDSPJHOQAFAM-MAUKXSAKSA-N 1 1 323.481 3.790 20 30 DHEDMO C=CCCCNc1nc(C[NH+](C)C)nc2sc(C)c(C)c21 ZINC001170299018 1024729766 /nfs/dbraw/zinc/72/97/66/1024729766.db2.gz XMURZJBQWGQEHA-UHFFFAOYSA-N 1 1 304.463 3.748 20 30 DHEDMO C#C[C@H](CC)[NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000792643953 1024756118 /nfs/dbraw/zinc/75/61/18/1024756118.db2.gz VYIKENOODQUGPL-AEFFLSMTSA-N 1 1 310.372 3.507 20 30 DHEDMO C#C[C@@H](CC)[NH2+][C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000792643957 1024757019 /nfs/dbraw/zinc/75/70/19/1024757019.db2.gz VYIKENOODQUGPL-FUHWJXTLSA-N 1 1 310.372 3.507 20 30 DHEDMO N#CC1(c2ccccc2)CCC(N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001170386721 1024761621 /nfs/dbraw/zinc/76/16/21/1024761621.db2.gz JZGGNVKPEWSSKM-NYLDSWQDSA-N 1 1 323.484 3.561 20 30 DHEDMO Cc1cc(C[N@@H+](C)C2CCC(C#N)(c3ccccc3)CC2)n(C)n1 ZINC001170387645 1024761970 /nfs/dbraw/zinc/76/19/70/1024761970.db2.gz YSDLTZCYTPKJIF-UHFFFAOYSA-N 1 1 322.456 3.565 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000349941548 1024769780 /nfs/dbraw/zinc/76/97/80/1024769780.db2.gz AQPQZCRAYVACNK-UHFFFAOYSA-N 1 1 320.421 3.785 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000349970871 1024774687 /nfs/dbraw/zinc/77/46/87/1024774687.db2.gz JFUCNBHBPUOOHS-UHFFFAOYSA-N 1 1 314.392 3.724 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000349970871 1024774696 /nfs/dbraw/zinc/77/46/96/1024774696.db2.gz JFUCNBHBPUOOHS-UHFFFAOYSA-N 1 1 314.392 3.724 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCOC(F)(F)F)cc1 ZINC001168172305 1024785919 /nfs/dbraw/zinc/78/59/19/1024785919.db2.gz JYDBOBBCQBZTPQ-OAHLLOKOSA-N 1 1 314.351 3.958 20 30 DHEDMO C[C@@H](CCCC#N)[N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001172510272 1033239022 /nfs/dbraw/zinc/23/90/22/1033239022.db2.gz YTLOTSASCUNZLF-GOEBONIOSA-N 1 1 321.465 3.543 20 30 DHEDMO Cc1cc(N=NC2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)ncn1 ZINC000841625965 1024792470 /nfs/dbraw/zinc/79/24/70/1024792470.db2.gz OJGDAXXYJCOETQ-GOSISDBHSA-N 1 1 321.428 3.552 20 30 DHEDMO C=CC[N@@H+](CCC#N)CC(CC)(CC)CNC(=O)OC(C)(C)C ZINC001205974546 1024792917 /nfs/dbraw/zinc/79/29/17/1024792917.db2.gz QUIRMRNOMUTJCV-UHFFFAOYSA-N 1 1 323.481 3.719 20 30 DHEDMO C=CC[N@H+](CCC#N)CC(CC)(CC)CNC(=O)OC(C)(C)C ZINC001205974546 1024792930 /nfs/dbraw/zinc/79/29/30/1024792930.db2.gz QUIRMRNOMUTJCV-UHFFFAOYSA-N 1 1 323.481 3.719 20 30 DHEDMO COC(=O)c1ccc([C@H]2CCC[N@H+]2[C@@H](C)CCCC#N)cc1 ZINC001172506467 1033235399 /nfs/dbraw/zinc/23/53/99/1033235399.db2.gz UKIVIXPFJOKIEB-WMLDXEAASA-N 1 1 300.402 3.692 20 30 DHEDMO C[C@@H](CCCC#N)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC001172504589 1033235440 /nfs/dbraw/zinc/23/54/40/1033235440.db2.gz HMQWDFHHGKXKCL-JONQDZQNSA-N 1 1 321.465 3.589 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000350733139 1024848601 /nfs/dbraw/zinc/84/86/01/1024848601.db2.gz XQVFZXONWRFXQD-GOEBONIOSA-N 1 1 315.465 3.724 20 30 DHEDMO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000350733139 1024848612 /nfs/dbraw/zinc/84/86/12/1024848612.db2.gz XQVFZXONWRFXQD-GOEBONIOSA-N 1 1 315.465 3.724 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000350733139 1024848629 /nfs/dbraw/zinc/84/86/29/1024848629.db2.gz XQVFZXONWRFXQD-GOEBONIOSA-N 1 1 315.465 3.724 20 30 DHEDMO C=C(C)CN1CC[C@]2(CC[N@H+](C[C@H](C)CCC=C(C)C)C2)C1=O ZINC001275068120 1024898459 /nfs/dbraw/zinc/89/84/59/1024898459.db2.gz DITYZZDIAFRWLT-QUCCMNQESA-N 1 1 318.505 3.869 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC(F)F ZINC001275119273 1024922992 /nfs/dbraw/zinc/92/29/92/1024922992.db2.gz PUKVIDNHOVZJNL-HUUCEWRRSA-N 1 1 316.436 3.677 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(OC)c1O ZINC000119268542 1024961275 /nfs/dbraw/zinc/96/12/75/1024961275.db2.gz XFJRDJZXKATFSO-UHFFFAOYSA-N 1 1 310.397 3.685 20 30 DHEDMO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000353266842 1025007574 /nfs/dbraw/zinc/00/75/74/1025007574.db2.gz LAHJZFZQGGDXPV-SFHVURJKSA-N 1 1 322.408 3.610 20 30 DHEDMO COc1ccccc1O[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000353284408 1025011397 /nfs/dbraw/zinc/01/13/97/1025011397.db2.gz DWVBWXHCAPSELW-SFHVURJKSA-N 1 1 322.408 3.610 20 30 DHEDMO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000353284408 1025011411 /nfs/dbraw/zinc/01/14/11/1025011411.db2.gz DWVBWXHCAPSELW-SFHVURJKSA-N 1 1 322.408 3.610 20 30 DHEDMO C=CCCCCC[C@H](C)[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000793551887 1025093258 /nfs/dbraw/zinc/09/32/58/1025093258.db2.gz WFWMHUMDFNORGK-IHPCNDPISA-N 1 1 322.537 3.869 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)c1cc(C)nn1C)c1ccc(F)c(F)c1 ZINC000793558058 1025101212 /nfs/dbraw/zinc/10/12/12/1025101212.db2.gz QZRZPTXAUTWFJV-YVEFUNNKSA-N 1 1 305.372 3.975 20 30 DHEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000893699226 1025139562 /nfs/dbraw/zinc/13/95/62/1025139562.db2.gz IIJVIHRPPSTEDD-NEPJUHHUSA-N 1 1 316.380 3.855 20 30 DHEDMO C=CCCn1cc(C[N@@H+]2C[C@@H](c3ccc(C)cc3)C[C@H]2C)nn1 ZINC000653648604 1025152893 /nfs/dbraw/zinc/15/28/93/1025152893.db2.gz AHTNFGQLFIUHQP-AEFFLSMTSA-N 1 1 310.445 3.541 20 30 DHEDMO CCC[N@@H+](Cc1ccc(OC)c(C#N)c1)Cc1ccccc1O ZINC000135111083 1025183181 /nfs/dbraw/zinc/18/31/81/1025183181.db2.gz PCSFGWQNXREQBG-UHFFFAOYSA-N 1 1 310.397 3.685 20 30 DHEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001167889381 1025193512 /nfs/dbraw/zinc/19/35/12/1025193512.db2.gz LEEWNYQUPMQXRD-HOCLYGCPSA-N 1 1 312.413 3.592 20 30 DHEDMO CC(C)[N@@H+](C)CC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000104417891 1025229393 /nfs/dbraw/zinc/22/93/93/1025229393.db2.gz UYJNGEBVQQHVKT-UHFFFAOYSA-N 1 1 323.396 3.629 20 30 DHEDMO Cc1cccc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)n1 ZINC000353752650 1025236507 /nfs/dbraw/zinc/23/65/07/1025236507.db2.gz SNPSWHTYSCPKJK-UHFFFAOYSA-N 1 1 309.413 3.705 20 30 DHEDMO CC(C)(C#N)CCCO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2 ZINC000135482182 1025236782 /nfs/dbraw/zinc/23/67/82/1025236782.db2.gz CWKQYHSPNZXWED-UHFFFAOYSA-N 1 1 303.450 3.822 20 30 DHEDMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001170444539 1025238675 /nfs/dbraw/zinc/23/86/75/1025238675.db2.gz UORHAEZUTFQYAY-SFHVURJKSA-N 1 1 322.408 3.740 20 30 DHEDMO C#CCN1CC[C@]2(CCC[N@@H+]2CCCCCC/C=C\CC)C1=O ZINC001275275443 1025240679 /nfs/dbraw/zinc/24/06/79/1025240679.db2.gz CDNRILAZLXUNJP-KKHYBRAUSA-N 1 1 316.489 3.603 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccccc1SC ZINC000348331683 1025242706 /nfs/dbraw/zinc/24/27/06/1025242706.db2.gz RDNRJOLNCZLHDR-OAHLLOKOSA-N 1 1 320.502 3.653 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1SC ZINC000348331683 1025242712 /nfs/dbraw/zinc/24/27/12/1025242712.db2.gz RDNRJOLNCZLHDR-OAHLLOKOSA-N 1 1 320.502 3.653 20 30 DHEDMO CCCOc1ccc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc1OC ZINC000112529379 1025248607 /nfs/dbraw/zinc/24/86/07/1025248607.db2.gz XSYKGGAKWXOBFT-LSDHHAIUSA-N 1 1 315.417 3.578 20 30 DHEDMO C=CCN(c1cc[nH+]c(N2CCCCC2)n1)C1CCCCC1 ZINC001157850652 1025254363 /nfs/dbraw/zinc/25/43/63/1025254363.db2.gz PBPSAGUKPCAENF-UHFFFAOYSA-N 1 1 300.450 3.792 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C[C@@H](C)OC)C(C)C)cc1OC ZINC000353809411 1025255069 /nfs/dbraw/zinc/25/50/69/1025255069.db2.gz NLEZKMJJXNNLND-OAHLLOKOSA-N 1 1 307.434 3.505 20 30 DHEDMO C#C[C@](C)(CC)[NH2+]Cc1nc(-c2c(F)cccc2F)cs1 ZINC001170450665 1025291930 /nfs/dbraw/zinc/29/19/30/1025291930.db2.gz DBUUYKRORYZIGV-MRXNPFEDSA-N 1 1 306.381 3.980 20 30 DHEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNc2nc(Cl)c(C#N)s2)C1 ZINC000804416569 1025295241 /nfs/dbraw/zinc/29/52/41/1025295241.db2.gz PMCKYQISHWNYCW-SNVBAGLBSA-N 1 1 312.870 3.591 20 30 DHEDMO CCc1nc(NCc2cccc(O[C@@H](C#N)CC)c2)cc(C)[nH+]1 ZINC000804459054 1025299688 /nfs/dbraw/zinc/29/96/88/1025299688.db2.gz QLJBUCWSVYJDFT-OAHLLOKOSA-N 1 1 310.401 3.641 20 30 DHEDMO CCOc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1OC(F)F ZINC000354017425 1025322413 /nfs/dbraw/zinc/32/24/13/1025322413.db2.gz JVTBFXJBQYDYRC-UHFFFAOYSA-N 1 1 312.360 3.668 20 30 DHEDMO CCOc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1OC(F)F ZINC000354017425 1025322423 /nfs/dbraw/zinc/32/24/23/1025322423.db2.gz JVTBFXJBQYDYRC-UHFFFAOYSA-N 1 1 312.360 3.668 20 30 DHEDMO C=CCOCC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000339025669 1025387680 /nfs/dbraw/zinc/38/76/80/1025387680.db2.gz AJNJXKBFFKSHAQ-UHFFFAOYSA-N 1 1 300.377 3.599 20 30 DHEDMO CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)CC1(C#N)CCC1 ZINC000885931184 1025410420 /nfs/dbraw/zinc/41/04/20/1025410420.db2.gz PWWJFVMHFUJRGV-GFCCVEGCSA-N 1 1 312.866 3.668 20 30 DHEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885937929 1025413153 /nfs/dbraw/zinc/41/31/53/1025413153.db2.gz NDJUFHHXMAVIJF-CZUORRHYSA-N 1 1 306.837 3.778 20 30 DHEDMO C[N@H+](Cc1ccc2ccccc2c1)C[C@H](O)CC1(C#N)CCC1 ZINC000885937933 1025413461 /nfs/dbraw/zinc/41/34/61/1025413461.db2.gz NDVDFDMWOKVPEJ-LJQANCHMSA-N 1 1 308.425 3.716 20 30 DHEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886008418 1025436688 /nfs/dbraw/zinc/43/66/88/1025436688.db2.gz MCVCHBAPXDXWNT-MSOLQXFVSA-N 1 1 300.446 3.760 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886027870 1025445764 /nfs/dbraw/zinc/44/57/64/1025445764.db2.gz JZCZJQKGWVQYCA-ZRNYENFQSA-N 1 1 310.441 3.716 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886027870 1025445769 /nfs/dbraw/zinc/44/57/69/1025445769.db2.gz JZCZJQKGWVQYCA-ZRNYENFQSA-N 1 1 310.441 3.716 20 30 DHEDMO CC(C)(C)[N@H+](Cc1ccccc1)C[C@H](O)CC1(C#N)CCC1 ZINC000886040909 1025447677 /nfs/dbraw/zinc/44/76/77/1025447677.db2.gz HAYJPHFUOBFJNO-QGZVFWFLSA-N 1 1 300.446 3.732 20 30 DHEDMO CC1(C)C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)[C@@H]1c1cccs1 ZINC000886207485 1025557142 /nfs/dbraw/zinc/55/71/42/1025557142.db2.gz DSSHBVFLBKPRRF-DZGCQCFKSA-N 1 1 304.459 3.576 20 30 DHEDMO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccns1 ZINC000860053849 1033290490 /nfs/dbraw/zinc/29/04/90/1033290490.db2.gz IGZMZVIEMDQVKP-LLVKDONJSA-N 1 1 310.344 3.864 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)CCC1 ZINC000886266001 1025574320 /nfs/dbraw/zinc/57/43/20/1025574320.db2.gz WYTGMWVBGBPUEO-MOPGFXCFSA-N 1 1 322.452 3.825 20 30 DHEDMO C[C@@H](CC#N)[N@H+](C)CCCC(=O)c1ccc(Br)cc1 ZINC000063087433 1025598877 /nfs/dbraw/zinc/59/88/77/1025598877.db2.gz KPHOOERIZQMODJ-LBPRGKRZSA-N 1 1 323.234 3.646 20 30 DHEDMO C[C@@H](CC#N)[N@@H+](C)CCCC(=O)c1ccc(Br)cc1 ZINC000063087433 1025598887 /nfs/dbraw/zinc/59/88/87/1025598887.db2.gz KPHOOERIZQMODJ-LBPRGKRZSA-N 1 1 323.234 3.646 20 30 DHEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000886361442 1025603087 /nfs/dbraw/zinc/60/30/87/1025603087.db2.gz IIIHGWADZOZVRN-CHWSQXEVSA-N 1 1 303.356 3.838 20 30 DHEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000886356192 1025603495 /nfs/dbraw/zinc/60/34/95/1025603495.db2.gz VRSRGAVJCDYNEH-KBPBESRZSA-N 1 1 313.376 3.590 20 30 DHEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000886356195 1025603684 /nfs/dbraw/zinc/60/36/84/1025603684.db2.gz VRSRGAVJCDYNEH-ZIAGYGMSSA-N 1 1 313.376 3.590 20 30 DHEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000886355857 1025604220 /nfs/dbraw/zinc/60/42/20/1025604220.db2.gz OTKFJXDKIHVLLI-ZIAGYGMSSA-N 1 1 313.376 3.590 20 30 DHEDMO Cc1ccnc(N)c1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000893957401 1025624268 /nfs/dbraw/zinc/62/42/68/1025624268.db2.gz FCTQGYCWPINECN-UHFFFAOYSA-N 1 1 308.429 3.502 20 30 DHEDMO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000886433772 1025626494 /nfs/dbraw/zinc/62/64/94/1025626494.db2.gz UGIPVBWYRIAGJQ-FQEVSTJZSA-N 1 1 322.452 3.962 20 30 DHEDMO C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805795284 1025673112 /nfs/dbraw/zinc/67/31/12/1025673112.db2.gz KLPSCNINGRRGFL-GOSISDBHSA-N 1 1 308.466 3.676 20 30 DHEDMO N#CCCCCCC(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000805914112 1025710304 /nfs/dbraw/zinc/71/03/04/1025710304.db2.gz AOROXZSXKAGAKW-GOSISDBHSA-N 1 1 314.429 3.668 20 30 DHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)O[C@H](CC)CC#N)cc1 ZINC000805928457 1025719026 /nfs/dbraw/zinc/71/90/26/1025719026.db2.gz NLANYCRSGXJZAK-QGZVFWFLSA-N 1 1 302.418 3.768 20 30 DHEDMO C=CCCC[C@@H](COc1ccccc1)[NH2+][C@H](C)c1csnn1 ZINC000886627341 1025746073 /nfs/dbraw/zinc/74/60/73/1025746073.db2.gz ZMQWSPZRVHVTIK-CABCVRRESA-N 1 1 317.458 3.993 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cn1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000573741903 1025747294 /nfs/dbraw/zinc/74/72/94/1025747294.db2.gz VAMDBPFEFUVCFT-OALUTQOASA-N 1 1 321.424 3.631 20 30 DHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C1CCC1 ZINC000072722498 1025763947 /nfs/dbraw/zinc/76/39/47/1025763947.db2.gz MHONQCQOKJYTGM-CYBMUJFWSA-N 1 1 317.458 3.504 20 30 DHEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000614159431 1025779393 /nfs/dbraw/zinc/77/93/93/1025779393.db2.gz BQIZJMBECXVGER-UHFFFAOYSA-N 1 1 322.408 3.848 20 30 DHEDMO C[N@@H+](CCOc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160356 1025781088 /nfs/dbraw/zinc/78/10/88/1025781088.db2.gz VJRCTDUQUUGJLX-UHFFFAOYSA-N 1 1 308.425 3.999 20 30 DHEDMO CC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)CC1CCC1 ZINC000355606078 1025786493 /nfs/dbraw/zinc/78/64/93/1025786493.db2.gz LAYMTVUZNGLATL-UHFFFAOYSA-N 1 1 316.445 4.000 20 30 DHEDMO CN1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)Cc2ccccc21 ZINC000614164689 1025788397 /nfs/dbraw/zinc/78/83/97/1025788397.db2.gz QLODLJZNZDDXTQ-UHFFFAOYSA-N 1 1 319.452 3.940 20 30 DHEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614169070 1025791291 /nfs/dbraw/zinc/79/12/91/1025791291.db2.gz QNPVNOJMLYXGKG-QFBILLFUSA-N 1 1 313.489 3.792 20 30 DHEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614169070 1025791302 /nfs/dbraw/zinc/79/13/02/1025791302.db2.gz QNPVNOJMLYXGKG-QFBILLFUSA-N 1 1 313.489 3.792 20 30 DHEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614169070 1025791317 /nfs/dbraw/zinc/79/13/17/1025791317.db2.gz QNPVNOJMLYXGKG-QFBILLFUSA-N 1 1 313.489 3.792 20 30 DHEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614169070 1025791331 /nfs/dbraw/zinc/79/13/31/1025791331.db2.gz QNPVNOJMLYXGKG-QFBILLFUSA-N 1 1 313.489 3.792 20 30 DHEDMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614169068 1025793316 /nfs/dbraw/zinc/79/33/16/1025793316.db2.gz QNPVNOJMLYXGKG-APWZRJJASA-N 1 1 313.489 3.792 20 30 DHEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614169068 1025793328 /nfs/dbraw/zinc/79/33/28/1025793328.db2.gz QNPVNOJMLYXGKG-APWZRJJASA-N 1 1 313.489 3.792 20 30 DHEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614169068 1025793338 /nfs/dbraw/zinc/79/33/38/1025793338.db2.gz QNPVNOJMLYXGKG-APWZRJJASA-N 1 1 313.489 3.792 20 30 DHEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614169068 1025793345 /nfs/dbraw/zinc/79/33/45/1025793345.db2.gz QNPVNOJMLYXGKG-APWZRJJASA-N 1 1 313.489 3.792 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@]2(C)CCCO)cc1 ZINC000614176847 1025809582 /nfs/dbraw/zinc/80/95/82/1025809582.db2.gz PPOSEZXXFICMOR-LJQANCHMSA-N 1 1 300.446 3.615 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000614176887 1025810879 /nfs/dbraw/zinc/81/08/79/1025810879.db2.gz SJLKGJZGCBFKOC-UHFFFAOYSA-N 1 1 311.816 3.986 20 30 DHEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075744916 1025850182 /nfs/dbraw/zinc/85/01/82/1025850182.db2.gz OVQMQLICDCEXBB-MRXNPFEDSA-N 1 1 324.428 3.866 20 30 DHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075837375 1025852549 /nfs/dbraw/zinc/85/25/49/1025852549.db2.gz PTBZCISXSDHCHE-COXVUDFISA-N 1 1 322.412 3.761 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000886764047 1025884299 /nfs/dbraw/zinc/88/42/99/1025884299.db2.gz KBMXJWYVAYZZBQ-UHFFFAOYSA-N 1 1 320.483 3.775 20 30 DHEDMO N#CCCN1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000611174009 1025922060 /nfs/dbraw/zinc/92/20/60/1025922060.db2.gz UQQOXCWMBXABPL-UHFFFAOYSA-N 1 1 321.424 3.510 20 30 DHEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000356117379 1025951748 /nfs/dbraw/zinc/95/17/48/1025951748.db2.gz WMPUDXQGURGKPO-AAEUAGOBSA-N 1 1 301.390 3.532 20 30 DHEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1nc(C#N)cs1 ZINC000356117379 1025951765 /nfs/dbraw/zinc/95/17/65/1025951765.db2.gz WMPUDXQGURGKPO-AAEUAGOBSA-N 1 1 301.390 3.532 20 30 DHEDMO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356126409 1025956800 /nfs/dbraw/zinc/95/68/00/1025956800.db2.gz UQOBSPXBDWDODA-LLVKDONJSA-N 1 1 305.834 3.731 20 30 DHEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356126409 1025956809 /nfs/dbraw/zinc/95/68/09/1025956809.db2.gz UQOBSPXBDWDODA-LLVKDONJSA-N 1 1 305.834 3.731 20 30 DHEDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411417930 1025999229 /nfs/dbraw/zinc/99/92/29/1025999229.db2.gz FPDKTBMWIYKORT-KRWDZBQOSA-N 1 1 314.477 3.539 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c(C(F)(F)F)c1 ZINC000356293682 1026009329 /nfs/dbraw/zinc/00/93/29/1026009329.db2.gz FGUNUNKYEAGAJQ-MRXNPFEDSA-N 1 1 324.346 3.580 20 30 DHEDMO C#CCCOc1ccc(C[NH2+][C@@H](CCN(C)C)C(C)(C)C)cc1 ZINC000236987655 1026009771 /nfs/dbraw/zinc/00/97/71/1026009771.db2.gz WUGYSMSMKHHHEF-IBGZPJMESA-N 1 1 316.489 3.545 20 30 DHEDMO C[N@@H+](Cc1ccc(O)cc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356294674 1026012421 /nfs/dbraw/zinc/01/24/21/1026012421.db2.gz AIQPCMXEEUZRJO-UHFFFAOYSA-N 1 1 320.314 3.915 20 30 DHEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)C1 ZINC000356310079 1026016864 /nfs/dbraw/zinc/01/68/64/1026016864.db2.gz XCRQGLHESCDXGT-FZMZJTMJSA-N 1 1 312.335 3.576 20 30 DHEDMO N#CCSCCC[N@@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC000887036309 1026025510 /nfs/dbraw/zinc/02/55/10/1026025510.db2.gz BVFUWDPGPJDPGH-INIZCTEOSA-N 1 1 310.507 3.573 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000411490304 1026029676 /nfs/dbraw/zinc/02/96/76/1026029676.db2.gz SQBHYQJHXWLJAQ-INIZCTEOSA-N 1 1 322.412 3.652 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000411490304 1026029697 /nfs/dbraw/zinc/02/96/97/1026029697.db2.gz SQBHYQJHXWLJAQ-INIZCTEOSA-N 1 1 322.412 3.652 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)n1 ZINC000356433149 1026048370 /nfs/dbraw/zinc/04/83/70/1026048370.db2.gz GMQDOOLVPLZNDV-CYBMUJFWSA-N 1 1 315.417 3.924 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)n1 ZINC000356433149 1026048385 /nfs/dbraw/zinc/04/83/85/1026048385.db2.gz GMQDOOLVPLZNDV-CYBMUJFWSA-N 1 1 315.417 3.924 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000245504762 1026053021 /nfs/dbraw/zinc/05/30/21/1026053021.db2.gz KWVMUEWWDRVWFV-KXBFYZLASA-N 1 1 309.413 3.653 20 30 DHEDMO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cc(C#N)cs1)C2 ZINC000356519231 1026071775 /nfs/dbraw/zinc/07/17/75/1026071775.db2.gz FJPNUFNTZYLPRJ-UHFFFAOYSA-N 1 1 310.422 3.676 20 30 DHEDMO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1cc(C#N)cs1)C2 ZINC000356519231 1026071792 /nfs/dbraw/zinc/07/17/92/1026071792.db2.gz FJPNUFNTZYLPRJ-UHFFFAOYSA-N 1 1 310.422 3.676 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000826535017 1026080401 /nfs/dbraw/zinc/08/04/01/1026080401.db2.gz PLUWHLVLUJLCPV-HNNXBMFYSA-N 1 1 310.372 3.858 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1NC(C)=O ZINC000092217554 1026107569 /nfs/dbraw/zinc/10/75/69/1026107569.db2.gz RXFUBPAEMYEYGR-UHFFFAOYSA-N 1 1 324.424 3.842 20 30 DHEDMO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000532966941 1026154855 /nfs/dbraw/zinc/15/48/55/1026154855.db2.gz CJBFUQGUWXWFQP-HNNXBMFYSA-N 1 1 316.445 3.894 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000532966941 1026154863 /nfs/dbraw/zinc/15/48/63/1026154863.db2.gz CJBFUQGUWXWFQP-HNNXBMFYSA-N 1 1 316.445 3.894 20 30 DHEDMO COc1ccc(Br)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000397564251 1026172686 /nfs/dbraw/zinc/17/26/86/1026172686.db2.gz AGTNAPRKNBNMMT-LBPRGKRZSA-N 1 1 323.234 3.583 20 30 DHEDMO COc1ccc(Br)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000397564251 1026172693 /nfs/dbraw/zinc/17/26/93/1026172693.db2.gz AGTNAPRKNBNMMT-LBPRGKRZSA-N 1 1 323.234 3.583 20 30 DHEDMO C=CCCCCC[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808162039 1026220509 /nfs/dbraw/zinc/22/05/09/1026220509.db2.gz FNBJDMJNNHQVOY-KRWDZBQOSA-N 1 1 315.461 3.627 20 30 DHEDMO C=CCCCCC[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccncc1 ZINC000808162039 1026220524 /nfs/dbraw/zinc/22/05/24/1026220524.db2.gz FNBJDMJNNHQVOY-KRWDZBQOSA-N 1 1 315.461 3.627 20 30 DHEDMO C[C@H](C1CCC1)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000357026907 1026283138 /nfs/dbraw/zinc/28/31/38/1026283138.db2.gz RKIGKRXJLJAINN-OAHLLOKOSA-N 1 1 323.440 3.858 20 30 DHEDMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000614400804 1026297856 /nfs/dbraw/zinc/29/78/56/1026297856.db2.gz GKBRCEMZDDIVIG-HXUWFJFHSA-N 1 1 306.409 3.749 20 30 DHEDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000614400804 1026297869 /nfs/dbraw/zinc/29/78/69/1026297869.db2.gz GKBRCEMZDDIVIG-HXUWFJFHSA-N 1 1 306.409 3.749 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000614403876 1026298844 /nfs/dbraw/zinc/29/88/44/1026298844.db2.gz UZWVSZBSNDORSI-QRWLVFNGSA-N 1 1 306.409 3.691 20 30 DHEDMO CC(C)[N@@H+](CC[C@H](O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000808712907 1026363491 /nfs/dbraw/zinc/36/34/91/1026363491.db2.gz JATNEUVIRTYWED-FQEVSTJZSA-N 1 1 308.425 3.892 20 30 DHEDMO CCCCCCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)Nc1cn[nH]c1 ZINC001279870666 1026523603 /nfs/dbraw/zinc/52/36/03/1026523603.db2.gz JWPDUQYEDWFKKA-MAUKXSAKSA-N 1 1 318.465 3.563 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)(C)C)C2)cc1 ZINC000809592734 1026566901 /nfs/dbraw/zinc/56/69/01/1026566901.db2.gz IZIRZHIBXMNNPA-SFHVURJKSA-N 1 1 313.441 3.612 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000809593719 1026570417 /nfs/dbraw/zinc/57/04/17/1026570417.db2.gz QLWAEEPTIDUTSG-LEWJYISDSA-N 1 1 323.411 3.895 20 30 DHEDMO C#C[C@H]([NH2+]Cc1cc(OC)ccc1O)c1ccc(Cl)cc1F ZINC000809698560 1026586689 /nfs/dbraw/zinc/58/66/89/1026586689.db2.gz CNWHODXJKATLQI-INIZCTEOSA-N 1 1 319.763 3.657 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1csc(COc2ccc(C)cc2)n1)C(C)C ZINC000809685272 1026592733 /nfs/dbraw/zinc/59/27/33/1026592733.db2.gz KTZMMWOBEOSWDA-QGZVFWFLSA-N 1 1 314.454 3.778 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000809688854 1026595645 /nfs/dbraw/zinc/59/56/45/1026595645.db2.gz QCHCSDHFJNFJLJ-UHFFFAOYSA-N 1 1 307.393 3.971 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000809729332 1026595970 /nfs/dbraw/zinc/59/59/70/1026595970.db2.gz SKEIZLVTDRGMRN-KXBFYZLASA-N 1 1 307.397 3.710 20 30 DHEDMO C#CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccccc1 ZINC000809716015 1026601071 /nfs/dbraw/zinc/60/10/71/1026601071.db2.gz JIEVBHUNVSNERP-UHFFFAOYSA-N 1 1 301.393 3.712 20 30 DHEDMO C#CC[N@H+](Cc1cn(C)nc1-c1ccccc1)Cc1ccccc1 ZINC000809717605 1026602093 /nfs/dbraw/zinc/60/20/93/1026602093.db2.gz KUVAZQYJWTVFCZ-UHFFFAOYSA-N 1 1 315.420 3.723 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000809718233 1026603551 /nfs/dbraw/zinc/60/35/51/1026603551.db2.gz SEFJSDFFYDPPMF-UHFFFAOYSA-N 1 1 321.420 3.967 20 30 DHEDMO CC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@H](C)c1cccnc1 ZINC000809763996 1026620934 /nfs/dbraw/zinc/62/09/34/1026620934.db2.gz BWUPJGBKLWCWPF-JKSUJKDBSA-N 1 1 309.413 3.956 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000810047796 1026669085 /nfs/dbraw/zinc/66/90/85/1026669085.db2.gz LARZBEQQFGFEDS-OAQYLSRUSA-N 1 1 318.420 3.836 20 30 DHEDMO C=C(Cl)CN1CCCC2(CCC[N@@H+](CC(=C)Cl)C2)C1 ZINC000810054308 1026669649 /nfs/dbraw/zinc/66/96/49/1026669649.db2.gz NDVVFXHSQNCKFQ-UHFFFAOYSA-N 1 1 303.277 3.669 20 30 DHEDMO C[C@@H]1C(N=Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000811637769 1027046054 /nfs/dbraw/zinc/04/60/54/1027046054.db2.gz KFKKLLDHPFAXMG-OAHLLOKOSA-N 1 1 304.397 3.621 20 30 DHEDMO Clc1ccc(C#CC[NH+]2CCC(c3ncco3)CC2)cc1 ZINC000931442785 1027125738 /nfs/dbraw/zinc/12/57/38/1027125738.db2.gz FYYKXEDZVDDDFI-UHFFFAOYSA-N 1 1 300.789 3.559 20 30 DHEDMO C[NH+]1CCC2(CCN(Cc3cc(Cl)cc(C#N)c3)CC2)CC1 ZINC000931467934 1027132273 /nfs/dbraw/zinc/13/22/73/1027132273.db2.gz PYMQAJPVPZKUPU-UHFFFAOYSA-N 1 1 317.864 3.519 20 30 DHEDMO COc1ccccc1[C@H]1CCC[N@@H+](Cc2cncc(C#N)c2)CC1 ZINC000931562230 1027171154 /nfs/dbraw/zinc/17/11/54/1027171154.db2.gz AUSRFTLDWYEXMF-SFHVURJKSA-N 1 1 321.424 3.732 20 30 DHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CCOc2ccc(C#N)cc2)C1 ZINC000362383741 1027172911 /nfs/dbraw/zinc/17/29/11/1027172911.db2.gz AHAOMWULHSGSTI-NVXWUHKLSA-N 1 1 304.459 3.543 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)s1 ZINC000362388592 1027177283 /nfs/dbraw/zinc/17/72/83/1027177283.db2.gz HBESCZQFYKRYJC-QZTJIDSGSA-N 1 1 312.438 3.708 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000362433581 1027206373 /nfs/dbraw/zinc/20/63/73/1027206373.db2.gz FTMBJPBLTFKWDR-WBVHZDCISA-N 1 1 318.461 3.786 20 30 DHEDMO C=CCCC[C@@H]([NH2+]Cc1noc2c1COCC2)c1ccccc1 ZINC000931693330 1027218179 /nfs/dbraw/zinc/21/81/79/1027218179.db2.gz AFDQKAWOCPEFMD-QGZVFWFLSA-N 1 1 312.413 3.935 20 30 DHEDMO N#Cc1cncc(C[N@H+]2CCCSC[C@H]2c2ccccc2)c1 ZINC000931694987 1027219713 /nfs/dbraw/zinc/21/97/13/1027219713.db2.gz PYCALTBTVKXWTN-SFHVURJKSA-N 1 1 309.438 3.633 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)CC1 ZINC000931708642 1027227564 /nfs/dbraw/zinc/22/75/64/1027227564.db2.gz ZTPKILKTWTYRQK-FAFZWHIHSA-N 1 1 304.478 3.845 20 30 DHEDMO C[N@@H+](CCC(C)(C)C#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273506969 1027250048 /nfs/dbraw/zinc/25/00/48/1027250048.db2.gz OCKSYKWMJQLXNL-IAGOWNOFSA-N 1 1 304.409 3.917 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000931907305 1027297250 /nfs/dbraw/zinc/29/72/50/1027297250.db2.gz JNCFJNHWFXPQDJ-QUCCMNQESA-N 1 1 312.457 3.606 20 30 DHEDMO C=CCCCCCCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000812493381 1027300597 /nfs/dbraw/zinc/30/05/97/1027300597.db2.gz HVHMNUAEJDKMJS-MSOLQXFVSA-N 1 1 321.509 3.639 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCCC[C@H]2Cc2ccc(F)cc2)n1 ZINC000574007702 1027349224 /nfs/dbraw/zinc/34/92/24/1027349224.db2.gz JCEWHDXMIGNNNS-INIZCTEOSA-N 1 1 315.417 3.751 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCCC[C@H]2Cc2ccc(F)cc2)n1 ZINC000574007702 1027349241 /nfs/dbraw/zinc/34/92/41/1027349241.db2.gz JCEWHDXMIGNNNS-INIZCTEOSA-N 1 1 315.417 3.751 20 30 DHEDMO C=CCOc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422904550 1027354595 /nfs/dbraw/zinc/35/45/95/1027354595.db2.gz GXZKXVPRTMUQPK-GBESFXJTSA-N 1 1 314.473 3.652 20 30 DHEDMO Cc1ccnc([C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)c1 ZINC000574336709 1027384018 /nfs/dbraw/zinc/38/40/18/1027384018.db2.gz IJBRHYLROQGHDU-KRWDZBQOSA-N 1 1 310.828 3.884 20 30 DHEDMO C=CCSc1ccccc1C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000362830097 1027407614 /nfs/dbraw/zinc/40/76/14/1027407614.db2.gz YPVHTSYXSJMUBQ-CABCVRRESA-N 1 1 318.486 3.519 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(Cl)c1)c1ccc(F)cc1 ZINC000812793523 1027419264 /nfs/dbraw/zinc/41/92/64/1027419264.db2.gz YDVKUWBCPSGAOK-MRXNPFEDSA-N 1 1 303.764 3.952 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170689193 1027440034 /nfs/dbraw/zinc/44/00/34/1027440034.db2.gz HSCMQOPQOUQZKI-SFHVURJKSA-N 1 1 324.374 3.752 20 30 DHEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccccc1SCCC#N ZINC000932297163 1027444523 /nfs/dbraw/zinc/44/45/23/1027444523.db2.gz HDWSTYSMYAFLEO-OAHLLOKOSA-N 1 1 317.458 3.504 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170694669 1027492037 /nfs/dbraw/zinc/49/20/37/1027492037.db2.gz IYCGESYJIPESBX-KRWDZBQOSA-N 1 1 312.363 3.826 20 30 DHEDMO CCc1ccccc1[C@@H]([NH3+])CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423505269 1027566083 /nfs/dbraw/zinc/56/60/83/1027566083.db2.gz OGQNMVMPIGSAJP-DJJJIMSYSA-N 1 1 311.404 3.610 20 30 DHEDMO N#CC1(CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCCCC1 ZINC000562699844 1027572684 /nfs/dbraw/zinc/57/26/84/1027572684.db2.gz QFXVSHCFVVMCAF-UHFFFAOYSA-N 1 1 313.401 3.817 20 30 DHEDMO N#CC1(CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCCCC1 ZINC000562699844 1027572691 /nfs/dbraw/zinc/57/26/91/1027572691.db2.gz QFXVSHCFVVMCAF-UHFFFAOYSA-N 1 1 313.401 3.817 20 30 DHEDMO C[C@H](N[C@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1F ZINC000423522669 1027580544 /nfs/dbraw/zinc/58/05/44/1027580544.db2.gz VEBDETHBIUXVTO-IFXJQAMLSA-N 1 1 311.404 3.828 20 30 DHEDMO CN(C)CC[N@@H+](Cc1ccc(C#N)s1)CC1CCCCC1 ZINC000576314415 1027601225 /nfs/dbraw/zinc/60/12/25/1027601225.db2.gz RFGRMFNDCLFXDJ-UHFFFAOYSA-N 1 1 305.491 3.564 20 30 DHEDMO CN(C)CC[N@H+](Cc1ccc(C#N)s1)CC1CCCCC1 ZINC000576314415 1027601230 /nfs/dbraw/zinc/60/12/30/1027601230.db2.gz RFGRMFNDCLFXDJ-UHFFFAOYSA-N 1 1 305.491 3.564 20 30 DHEDMO C[C@H](C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CCCCC1 ZINC001170703658 1027604706 /nfs/dbraw/zinc/60/47/06/1027604706.db2.gz RTGCUFMMQONFBV-QAPCUYQASA-N 1 1 313.445 3.623 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706371 1027633118 /nfs/dbraw/zinc/63/31/18/1027633118.db2.gz CCJNJSUAPFTCCK-QGZVFWFLSA-N 1 1 312.363 3.826 20 30 DHEDMO C=CCCC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000363554900 1027673494 /nfs/dbraw/zinc/67/34/94/1027673494.db2.gz LMKJYXZZKWKTPR-MAUKXSAKSA-N 1 1 320.864 3.805 20 30 DHEDMO Cc1csc(C[C@H]2CC[N@@H+](CC3CCC(C#N)CC3)C2)n1 ZINC000933126875 1027681342 /nfs/dbraw/zinc/68/13/42/1027681342.db2.gz SQKUFBBLAWRJHO-UYSNPLJNSA-N 1 1 303.475 3.646 20 30 DHEDMO C#CCC1([NH2+]Cc2nc([C@H](C)OCC(C)C)no2)CCCCC1 ZINC000933266851 1027707452 /nfs/dbraw/zinc/70/74/52/1027707452.db2.gz BBVQJKHROKOMQE-HNNXBMFYSA-N 1 1 319.449 3.619 20 30 DHEDMO C=C1CC(C)(C(=O)N2CCC[C@]3(CC[N@H+](C4CCCC4)C3)C2)C1 ZINC001275868011 1027770753 /nfs/dbraw/zinc/77/07/53/1027770753.db2.gz NPVDGAKXVUVXTP-HXUWFJFHSA-N 1 1 316.489 3.600 20 30 DHEDMO N#Cc1ccc(C2CC[NH+](Cc3coc(C4CC4)n3)CC2)cc1 ZINC000933607530 1027772990 /nfs/dbraw/zinc/77/29/90/1027772990.db2.gz RJCSFFKCZARDDK-UHFFFAOYSA-N 1 1 307.397 3.803 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@H+]([C@H]3CCc4ccc(F)cc43)CCO2)cc1 ZINC000933627383 1027780186 /nfs/dbraw/zinc/78/01/86/1027780186.db2.gz KNYKVXLJVTXKQK-PMACEKPBSA-N 1 1 322.383 3.758 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@@H+]([C@H]3CCc4ccc(F)cc43)CCO2)cc1 ZINC000933627383 1027780202 /nfs/dbraw/zinc/78/02/02/1027780202.db2.gz KNYKVXLJVTXKQK-PMACEKPBSA-N 1 1 322.383 3.758 20 30 DHEDMO C[C@@H](c1cccc(Cl)c1F)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933646839 1027784500 /nfs/dbraw/zinc/78/45/00/1027784500.db2.gz PYTBHRADLPUXKY-LBPRGKRZSA-N 1 1 323.795 3.878 20 30 DHEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000933770670 1027822364 /nfs/dbraw/zinc/82/23/64/1027822364.db2.gz QXKJFPCZQFPURI-AAEUAGOBSA-N 1 1 318.364 3.552 20 30 DHEDMO C=CCn1c(=S)n(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)nc1C1CC1 ZINC000159352280 1027854150 /nfs/dbraw/zinc/85/41/50/1027854150.db2.gz KZVDCSKHLQXCMS-ZFWWWQNUSA-N 1 1 318.490 3.699 20 30 DHEDMO C=CCn1c(=S)n(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)nc1C1CC1 ZINC000159352280 1027854170 /nfs/dbraw/zinc/85/41/70/1027854170.db2.gz KZVDCSKHLQXCMS-ZFWWWQNUSA-N 1 1 318.490 3.699 20 30 DHEDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000814179249 1027916613 /nfs/dbraw/zinc/91/66/13/1027916613.db2.gz QDIUVHBKIDCCLS-GOEBONIOSA-N 1 1 304.459 3.552 20 30 DHEDMO COCCSCCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000365504117 1027957964 /nfs/dbraw/zinc/95/79/64/1027957964.db2.gz ASPBFCZDYJHKRC-ZWKOTPCHSA-N 1 1 318.486 3.528 20 30 DHEDMO COCCSCCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000365504115 1027958218 /nfs/dbraw/zinc/95/82/18/1027958218.db2.gz ASPBFCZDYJHKRC-QZTJIDSGSA-N 1 1 318.486 3.528 20 30 DHEDMO C[C@@H](NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000527953349 1027985696 /nfs/dbraw/zinc/98/56/96/1027985696.db2.gz WNWWZPWCPVBUOR-KDOFPFPSSA-N 1 1 315.436 3.755 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2)cc1 ZINC000008037647 1027985777 /nfs/dbraw/zinc/98/57/77/1027985777.db2.gz WTFFYJVYQLANLX-UHFFFAOYSA-N 1 1 324.424 3.630 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2)cc1 ZINC000008037647 1027985797 /nfs/dbraw/zinc/98/57/97/1027985797.db2.gz WTFFYJVYQLANLX-UHFFFAOYSA-N 1 1 324.424 3.630 20 30 DHEDMO C[C@@H](NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000527953349 1027985713 /nfs/dbraw/zinc/98/57/13/1027985713.db2.gz WNWWZPWCPVBUOR-KDOFPFPSSA-N 1 1 315.436 3.755 20 30 DHEDMO C=CC(C)(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000448708967 1028006448 /nfs/dbraw/zinc/00/64/48/1028006448.db2.gz NVACMJDUWMGQEF-MRXNPFEDSA-N 1 1 314.473 3.747 20 30 DHEDMO C=CC[C@@H]1CC[N@H+]1Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000934466674 1028013623 /nfs/dbraw/zinc/01/36/23/1028013623.db2.gz KHFHWBWRHJQIRN-CQSZACIVSA-N 1 1 316.426 3.675 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000934466674 1028013645 /nfs/dbraw/zinc/01/36/45/1028013645.db2.gz KHFHWBWRHJQIRN-CQSZACIVSA-N 1 1 316.426 3.675 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1cc2c(s1)CCCCC2 ZINC001297377891 1028032961 /nfs/dbraw/zinc/03/29/61/1028032961.db2.gz CVHYVEDVSQUVST-UHFFFAOYSA-N 1 1 320.502 3.597 20 30 DHEDMO C=CCCC[N@H+](CC)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000934650217 1028064061 /nfs/dbraw/zinc/06/40/61/1028064061.db2.gz HPXGAKKTKCUBAD-UHFFFAOYSA-N 1 1 300.446 3.711 20 30 DHEDMO COc1cccc(-c2c[nH]c([C@H]3CCC[N@@H+]3CCCC#N)n2)c1 ZINC000366370671 1028076736 /nfs/dbraw/zinc/07/67/36/1028076736.db2.gz FZTQXJXSGDVILF-QGZVFWFLSA-N 1 1 310.401 3.526 20 30 DHEDMO COc1cccc(-c2c[nH]c([C@H]3CCC[N@H+]3CCCC#N)n2)c1 ZINC000366370671 1028076754 /nfs/dbraw/zinc/07/67/54/1028076754.db2.gz FZTQXJXSGDVILF-QGZVFWFLSA-N 1 1 310.401 3.526 20 30 DHEDMO CC[N@H+](Cc1ccccc1Br)[C@H]1CC[C@H](C#N)C1 ZINC000563497520 1028081029 /nfs/dbraw/zinc/08/10/29/1028081029.db2.gz CTUSFFOUCPTFDL-JSGCOSHPSA-N 1 1 307.235 3.963 20 30 DHEDMO CC[N@@H+](Cc1ccccc1Br)[C@H]1CC[C@H](C#N)C1 ZINC000563497520 1028081049 /nfs/dbraw/zinc/08/10/49/1028081049.db2.gz CTUSFFOUCPTFDL-JSGCOSHPSA-N 1 1 307.235 3.963 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)CCC1 ZINC000934832068 1028121344 /nfs/dbraw/zinc/12/13/44/1028121344.db2.gz NHLHVSLZQBJIHB-ROUUACIJSA-N 1 1 304.478 3.989 20 30 DHEDMO C=C(C)c1cccc(NC(=O)NCCCCn2cc[nH+]c2C)c1 ZINC000934875570 1028136137 /nfs/dbraw/zinc/13/61/37/1028136137.db2.gz GPNPDLSPBWSUPI-UHFFFAOYSA-N 1 1 312.417 3.827 20 30 DHEDMO C=C(C)c1cccc(NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000934886233 1028143181 /nfs/dbraw/zinc/14/31/81/1028143181.db2.gz GGPBWYZAQMYMDQ-HNNXBMFYSA-N 1 1 301.434 3.573 20 30 DHEDMO C=CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCCC)c1ccccc1 ZINC000578704786 1028219360 /nfs/dbraw/zinc/21/93/60/1028219360.db2.gz SRMBYWOAAPJBSU-SJLPKXTDSA-N 1 1 302.462 3.583 20 30 DHEDMO C=CC1(CC(=O)N2CCC3(CCC[N@@H+]3C)CC2)CCCCC1 ZINC000935219123 1028223187 /nfs/dbraw/zinc/22/31/87/1028223187.db2.gz YVOUKQWNTORHPV-UHFFFAOYSA-N 1 1 304.478 3.600 20 30 DHEDMO N#CC1CC[NH+](Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000449021344 1028254521 /nfs/dbraw/zinc/25/45/21/1028254521.db2.gz YZTMHIQNZPVPIE-UHFFFAOYSA-N 1 1 311.454 3.664 20 30 DHEDMO C[C@@H]1C(=NOCC(F)(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000814880010 1028276495 /nfs/dbraw/zinc/27/64/95/1028276495.db2.gz OEUDICLZWQHOQQ-GFCCVEGCSA-N 1 1 300.324 3.606 20 30 DHEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000449043798 1028306357 /nfs/dbraw/zinc/30/63/57/1028306357.db2.gz ZZGYCBLBDPNHSA-GOSISDBHSA-N 1 1 312.457 3.514 20 30 DHEDMO CC(C)(CCC#N)C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000368213547 1028316479 /nfs/dbraw/zinc/31/64/79/1028316479.db2.gz BEZNQYKFHMQMGL-RDJZCZTQSA-N 1 1 320.864 3.678 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC000579137644 1028334716 /nfs/dbraw/zinc/33/47/16/1028334716.db2.gz HBRXZYPOEAMNJX-ZSGPHXLJSA-N 1 1 318.486 3.771 20 30 DHEDMO CC[C@H]1c2cccn2CC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000368334490 1028338286 /nfs/dbraw/zinc/33/82/86/1028338286.db2.gz VNXZTCFYJFCEGU-YJBOKZPZSA-N 1 1 309.413 3.746 20 30 DHEDMO CC[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000368334490 1028338305 /nfs/dbraw/zinc/33/83/05/1028338305.db2.gz VNXZTCFYJFCEGU-YJBOKZPZSA-N 1 1 309.413 3.746 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C)n1 ZINC000368422181 1028351304 /nfs/dbraw/zinc/35/13/04/1028351304.db2.gz LPDHSIAELDOLBR-PMACEKPBSA-N 1 1 305.425 3.970 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C)n1 ZINC000368422181 1028351323 /nfs/dbraw/zinc/35/13/23/1028351323.db2.gz LPDHSIAELDOLBR-PMACEKPBSA-N 1 1 305.425 3.970 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2cccs2)C2CC2)c([N+](=O)[O-])c1 ZINC000579250770 1028362719 /nfs/dbraw/zinc/36/27/19/1028362719.db2.gz ZOIMRKRGYIMXCL-UHFFFAOYSA-N 1 1 313.382 3.693 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cccs2)C2CC2)c([N+](=O)[O-])c1 ZINC000579250770 1028362737 /nfs/dbraw/zinc/36/27/37/1028362737.db2.gz ZOIMRKRGYIMXCL-UHFFFAOYSA-N 1 1 313.382 3.693 20 30 DHEDMO CC(C)([NH2+]Cc1ccc(C#N)cn1)c1cccc(Cl)c1F ZINC000579254380 1028363681 /nfs/dbraw/zinc/36/36/81/1028363681.db2.gz HXYBQEQISAEGMR-UHFFFAOYSA-N 1 1 303.768 3.771 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000368591378 1028379557 /nfs/dbraw/zinc/37/95/57/1028379557.db2.gz HELIPKFTZJYRKB-LAUBAEHRSA-N 1 1 320.436 3.993 20 30 DHEDMO C=CC[C@@H](C(=O)OCCCCn1cc[nH+]c1C)c1ccccc1 ZINC000778418300 1028427242 /nfs/dbraw/zinc/42/72/42/1028427242.db2.gz LWWUNHZUJATBJK-GOSISDBHSA-N 1 1 312.413 3.875 20 30 DHEDMO CC#CCC[N@H+]1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815203850 1028427565 /nfs/dbraw/zinc/42/75/65/1028427565.db2.gz ZKFGPPCUJQTNOT-DLBZAZTESA-N 1 1 320.477 3.511 20 30 DHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)o2)c1 ZINC000075611647 1028523496 /nfs/dbraw/zinc/52/34/96/1028523496.db2.gz GVXKMVBOMUXEDR-RDJZCZTQSA-N 1 1 322.412 3.763 20 30 DHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565046469 1028534223 /nfs/dbraw/zinc/53/42/23/1028534223.db2.gz LCONUJGXIOEFAK-CABCVRRESA-N 1 1 319.430 3.572 20 30 DHEDMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)o1 ZINC000565330935 1028575707 /nfs/dbraw/zinc/57/57/07/1028575707.db2.gz DCDNITDZOYLNHH-HNAYVOBHSA-N 1 1 324.424 3.923 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@]2(C)Cc2cccc(F)c2)cc1C#N ZINC000565364868 1028578792 /nfs/dbraw/zinc/57/87/92/1028578792.db2.gz OGPSJKSDBLEEHB-LJQANCHMSA-N 1 1 311.404 3.633 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000779167752 1028590509 /nfs/dbraw/zinc/59/05/09/1028590509.db2.gz HFPRCIFFSJKCCX-INIZCTEOSA-N 1 1 310.397 3.801 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC000076415763 1028601961 /nfs/dbraw/zinc/60/19/61/1028601961.db2.gz DXHLMLGEDLCYLX-AWEZNQCLSA-N 1 1 302.418 3.673 20 30 DHEDMO C[C@@H]1CCC[C@@](CN[C@@H]2CCc3ccc(C#N)cc32)([NH+](C)C)C1 ZINC000565690511 1028620539 /nfs/dbraw/zinc/62/05/39/1028620539.db2.gz WXZZYCKYNLUKCP-CDHQVMDDSA-N 1 1 311.473 3.646 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)CC2)c(F)c1 ZINC000370628482 1028627313 /nfs/dbraw/zinc/62/73/13/1028627313.db2.gz WETDAYHJKWWMBW-HXUWFJFHSA-N 1 1 324.399 3.571 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000565919506 1028653126 /nfs/dbraw/zinc/65/31/26/1028653126.db2.gz CPMPOKXLGRADKP-AWEZNQCLSA-N 1 1 319.405 3.600 20 30 DHEDMO CCCCCCCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1CC ZINC000371126669 1028671710 /nfs/dbraw/zinc/67/17/10/1028671710.db2.gz GLRYISHYWYYOPB-MRXNPFEDSA-N 1 1 305.466 3.797 20 30 DHEDMO CCS[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000566299821 1028699940 /nfs/dbraw/zinc/69/99/40/1028699940.db2.gz BWMRSBJNYHFUOX-HNNXBMFYSA-N 1 1 319.430 3.574 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OCC)[C@@H](C)C2)cc1OC ZINC000449489751 1028700272 /nfs/dbraw/zinc/70/02/72/1028700272.db2.gz AXVDQJLNNNNHIN-DOTOQJQBSA-N 1 1 319.445 3.507 20 30 DHEDMO N#CCCn1cc(C(=O)C[N@@H+]2CC3CCC2CC3)c2ccccc21 ZINC000371394087 1028701128 /nfs/dbraw/zinc/70/11/28/1028701128.db2.gz WTPIPZOCLVIPDN-UHFFFAOYSA-N 1 1 321.424 3.612 20 30 DHEDMO N#CCCn1cc(C(=O)C[N@H+]2CC3CCC2CC3)c2ccccc21 ZINC000371394087 1028701138 /nfs/dbraw/zinc/70/11/38/1028701138.db2.gz WTPIPZOCLVIPDN-UHFFFAOYSA-N 1 1 321.424 3.612 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)ccc1OC ZINC000449495843 1028707077 /nfs/dbraw/zinc/70/70/77/1028707077.db2.gz IJNRHFVSILSJBS-NVXWUHKLSA-N 1 1 319.445 3.507 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H]2C2CC2)cc1OCCCC#N ZINC000371418943 1028711239 /nfs/dbraw/zinc/71/12/39/1028711239.db2.gz HXEFSXXAKQTLBQ-KRWDZBQOSA-N 1 1 314.429 3.752 20 30 DHEDMO C=CCCC[N@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC001170814518 1028756316 /nfs/dbraw/zinc/75/63/16/1028756316.db2.gz TZZCQQZYUHBABT-KRWDZBQOSA-N 1 1 308.466 3.866 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@H](O)c3ccccc3C2)cc1 ZINC000371870670 1028769022 /nfs/dbraw/zinc/76/90/22/1028769022.db2.gz RVVSQCMMUGNINU-NRFANRHFSA-N 1 1 321.420 3.528 20 30 DHEDMO Cc1cc2ccc(Cl)cc2nc1N=NC1CC[N@H+]2CCC[C@@H]12 ZINC000778552660 1028782324 /nfs/dbraw/zinc/78/23/24/1028782324.db2.gz WJDVAFGKRVPTFL-INIZCTEOSA-N 1 1 314.820 3.833 20 30 DHEDMO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000449555768 1028789695 /nfs/dbraw/zinc/78/96/95/1028789695.db2.gz RXMXLEMOXKXHKR-GOSISDBHSA-N 1 1 313.489 3.770 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2nccn2CC)cc1Cl ZINC000449563029 1028807343 /nfs/dbraw/zinc/80/73/43/1028807343.db2.gz QLKVUVXQQHCVPC-CYBMUJFWSA-N 1 1 319.836 3.972 20 30 DHEDMO C[C@H]1C[C@@H](c2ccsc2)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000372405886 1028850797 /nfs/dbraw/zinc/85/07/97/1028850797.db2.gz ZRLBPAXUSPXXOH-XJKSGUPXSA-N 1 1 322.437 3.645 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@@H+](CC)C2CCCC2)c1=S ZINC000077443134 1028878335 /nfs/dbraw/zinc/87/83/35/1028878335.db2.gz IPFYTVSUQUAXKW-UHFFFAOYSA-N 1 1 306.479 3.699 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@H+](CC)C2CCCC2)c1=S ZINC000077443134 1028878355 /nfs/dbraw/zinc/87/83/55/1028878355.db2.gz IPFYTVSUQUAXKW-UHFFFAOYSA-N 1 1 306.479 3.699 20 30 DHEDMO C=C(C)C[N@H+](CCc1ccncc1C)Cc1cnn(C(C)C)c1 ZINC000567380931 1028883880 /nfs/dbraw/zinc/88/38/80/1028883880.db2.gz DDYSBTKYPYNOPA-UHFFFAOYSA-N 1 1 312.461 3.788 20 30 DHEDMO COc1ccc2c(c1)C1(CC1)C[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC000567523854 1028909262 /nfs/dbraw/zinc/90/92/62/1028909262.db2.gz RYXKEYHPBKDNGC-UHFFFAOYSA-N 1 1 321.395 3.733 20 30 DHEDMO COc1ccc2c(c1)C1(CC1)C[N@H+](CC#Cc1ccc(F)cc1)C2 ZINC000567523854 1028909276 /nfs/dbraw/zinc/90/92/76/1028909276.db2.gz RYXKEYHPBKDNGC-UHFFFAOYSA-N 1 1 321.395 3.733 20 30 DHEDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(C#N)cc1 ZINC000816532850 1028921932 /nfs/dbraw/zinc/92/19/32/1028921932.db2.gz YHDLRXYKEGHVKA-JTQLQIEISA-N 1 1 304.752 3.907 20 30 DHEDMO CC[C@H](C(=O)[C@@H](C#N)c1ccc2ccccc2n1)[NH+](CC)CC ZINC000778599557 1028937575 /nfs/dbraw/zinc/93/75/75/1028937575.db2.gz PKGYZXDHBUPJFZ-MAUKXSAKSA-N 1 1 309.413 3.531 20 30 DHEDMO COc1ncc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1Cl ZINC000567727841 1028944046 /nfs/dbraw/zinc/94/40/46/1028944046.db2.gz IBYQAXCJBVBFSD-GFCCVEGCSA-N 1 1 315.804 3.808 20 30 DHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC2(C1)CCCCC2 ZINC000129893474 1028944467 /nfs/dbraw/zinc/94/44/67/1028944467.db2.gz IGNYGCXXTBMNQG-OAHLLOKOSA-N 1 1 311.429 3.541 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC001170845835 1029023126 /nfs/dbraw/zinc/02/31/26/1029023126.db2.gz FEDITHCIUBJFHX-QWHCGFSZSA-N 1 1 309.816 3.682 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000411140075 1029044144 /nfs/dbraw/zinc/04/41/44/1029044144.db2.gz SIFUSIRCGVFIHL-GFCCVEGCSA-N 1 1 305.399 3.877 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000411140075 1029044155 /nfs/dbraw/zinc/04/41/55/1029044155.db2.gz SIFUSIRCGVFIHL-GFCCVEGCSA-N 1 1 305.399 3.877 20 30 DHEDMO COc1ccc(C[NH2+]CC2(C#N)CC2)cc1OCc1ccccc1 ZINC000568616515 1029102672 /nfs/dbraw/zinc/10/26/72/1029102672.db2.gz YVNBJKUYUBEPJN-UHFFFAOYSA-N 1 1 322.408 3.668 20 30 DHEDMO N#CC1(CC[N@@H+]2CCO[C@H](c3cccs3)C2)CCCCC1 ZINC000411346114 1029108696 /nfs/dbraw/zinc/10/86/96/1029108696.db2.gz LZIILRTYGHLHHR-HNNXBMFYSA-N 1 1 304.459 3.986 20 30 DHEDMO N#CC1(CC[N@H+]2CCO[C@H](c3cccs3)C2)CCCCC1 ZINC000411346114 1029108701 /nfs/dbraw/zinc/10/87/01/1029108701.db2.gz LZIILRTYGHLHHR-HNNXBMFYSA-N 1 1 304.459 3.986 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C2CC(OC(C)(C)C)C2)cc1 ZINC000817415954 1029155922 /nfs/dbraw/zinc/15/59/22/1029155922.db2.gz BPMATLQPNISTIZ-NXVRBGIVSA-N 1 1 316.445 3.755 20 30 DHEDMO COc1ccc(C[N@H+]2CCCC23CCC3)cc1OCCCC#N ZINC000373916870 1029166685 /nfs/dbraw/zinc/16/66/85/1029166685.db2.gz HKQIYVKSSBLRPF-UHFFFAOYSA-N 1 1 314.429 3.896 20 30 DHEDMO CC[C@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)c1ccc(C#N)cc1 ZINC000373924475 1029170183 /nfs/dbraw/zinc/17/01/83/1029170183.db2.gz SDCRGEWKZFHOGC-PBHICJAKSA-N 1 1 323.444 3.678 20 30 DHEDMO N#CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000374052398 1029193027 /nfs/dbraw/zinc/19/30/27/1029193027.db2.gz DNTRLWKOBWQHPM-HXUWFJFHSA-N 1 1 311.473 3.668 20 30 DHEDMO N#CCCCC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000374052398 1029193035 /nfs/dbraw/zinc/19/30/35/1029193035.db2.gz DNTRLWKOBWQHPM-HXUWFJFHSA-N 1 1 311.473 3.668 20 30 DHEDMO C[N@@H+](CCCCC#N)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000374055249 1029194074 /nfs/dbraw/zinc/19/40/74/1029194074.db2.gz SKAUMUQHXLTESL-QGZVFWFLSA-N 1 1 314.820 3.845 20 30 DHEDMO N#CC1(CC[N@H+]2CCC3(C2)Oc2ccccc2O3)CCCCC1 ZINC000411737122 1029194294 /nfs/dbraw/zinc/19/42/94/1029194294.db2.gz OTBPLWWOGPTPLT-UHFFFAOYSA-N 1 1 312.413 3.724 20 30 DHEDMO N#CC1(CC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)CCCCC1 ZINC000411801958 1029212311 /nfs/dbraw/zinc/21/23/11/1029212311.db2.gz UVRZWSFFDWITLP-KURKYZTESA-N 1 1 304.478 3.866 20 30 DHEDMO C=CC(C)(C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000450135601 1029220490 /nfs/dbraw/zinc/22/04/90/1029220490.db2.gz SYWMOTITJPCDRT-INIZCTEOSA-N 1 1 306.494 3.702 20 30 DHEDMO CCC[N@@H+](CCC#N)[C@H]1CCc2ccc(Br)cc2C1 ZINC001170879005 1029257771 /nfs/dbraw/zinc/25/77/71/1029257771.db2.gz NQTVMSBFSAJLDY-INIZCTEOSA-N 1 1 321.262 3.932 20 30 DHEDMO C[N@@H+](CCCc1ccccc1)CCOCc1ccc(C#N)cc1 ZINC000569763650 1029262102 /nfs/dbraw/zinc/26/21/02/1029262102.db2.gz DNJWKXQAMUXKEP-UHFFFAOYSA-N 1 1 308.425 3.639 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000411982644 1029267334 /nfs/dbraw/zinc/26/73/34/1029267334.db2.gz DMEYKKBQAGLFHB-HXUWFJFHSA-N 1 1 318.420 3.912 20 30 DHEDMO N#CCSCCC[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411992614 1029273359 /nfs/dbraw/zinc/27/33/59/1029273359.db2.gz VOIIBCZXMKEHCF-KRWDZBQOSA-N 1 1 300.471 3.903 20 30 DHEDMO N#CC1(CCC[N@@H+]2CC[C@](F)(c3ccccc3)C2)CCOCC1 ZINC000374522404 1029369738 /nfs/dbraw/zinc/36/97/38/1029369738.db2.gz SUJVVSYVMSCVLL-LJQANCHMSA-N 1 1 316.420 3.658 20 30 DHEDMO N#CCCCN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000374556250 1029387391 /nfs/dbraw/zinc/38/73/91/1029387391.db2.gz KJKGPQYBXXWYMI-LEWJYISDSA-N 1 1 319.452 3.548 20 30 DHEDMO N#CCCCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000374556250 1029387402 /nfs/dbraw/zinc/38/74/02/1029387402.db2.gz KJKGPQYBXXWYMI-LEWJYISDSA-N 1 1 319.452 3.548 20 30 DHEDMO C=CCC1(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)CCCCC1 ZINC000412318631 1029402003 /nfs/dbraw/zinc/40/20/03/1029402003.db2.gz QOGALNUGBWSOTN-UHFFFAOYSA-N 1 1 318.505 3.847 20 30 DHEDMO C=CCCCC[N@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000570668566 1029402565 /nfs/dbraw/zinc/40/25/65/1029402565.db2.gz SAPQFWKYANTEKD-AWEZNQCLSA-N 1 1 308.447 3.813 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000570668566 1029402572 /nfs/dbraw/zinc/40/25/72/1029402572.db2.gz SAPQFWKYANTEKD-AWEZNQCLSA-N 1 1 308.447 3.813 20 30 DHEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1csc(Cl)c1 ZINC001276205338 1029413257 /nfs/dbraw/zinc/41/32/57/1029413257.db2.gz KFCDXANSBXILGS-MRXNPFEDSA-N 1 1 324.877 3.545 20 30 DHEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1csc(Cl)c1 ZINC001276205338 1029413263 /nfs/dbraw/zinc/41/32/63/1029413263.db2.gz KFCDXANSBXILGS-MRXNPFEDSA-N 1 1 324.877 3.545 20 30 DHEDMO COc1cccc(Cl)c1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000570733452 1029414232 /nfs/dbraw/zinc/41/42/32/1029414232.db2.gz MVRDVURGMDQLEY-KRWDZBQOSA-N 1 1 312.800 3.997 20 30 DHEDMO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374692979 1029433891 /nfs/dbraw/zinc/43/38/91/1029433891.db2.gz JIZKWBXFZVDLEB-CQSZACIVSA-N 1 1 302.381 3.799 20 30 DHEDMO C[C@]1(Cc2cccc(F)c2)CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000570925949 1029436715 /nfs/dbraw/zinc/43/67/15/1029436715.db2.gz PNWCACZFKSGAQH-QGZVFWFLSA-N 1 1 315.417 3.751 20 30 DHEDMO C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000570925949 1029436722 /nfs/dbraw/zinc/43/67/22/1029436722.db2.gz PNWCACZFKSGAQH-QGZVFWFLSA-N 1 1 315.417 3.751 20 30 DHEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529623815 1029468470 /nfs/dbraw/zinc/46/84/70/1029468470.db2.gz VYPYPBVAMOUFFP-HXUWFJFHSA-N 1 1 316.408 3.620 20 30 DHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529623815 1029468479 /nfs/dbraw/zinc/46/84/79/1029468479.db2.gz VYPYPBVAMOUFFP-HXUWFJFHSA-N 1 1 316.408 3.620 20 30 DHEDMO COc1cccc([C@H]2C[N@@H+](Cc3ccc(C#N)o3)CC2(C)C)c1 ZINC000529639013 1029473775 /nfs/dbraw/zinc/47/37/75/1029473775.db2.gz IQENRRWRZVTSPI-GOSISDBHSA-N 1 1 310.397 3.785 20 30 DHEDMO C=CCC1(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CCCC1 ZINC000450514279 1029522398 /nfs/dbraw/zinc/52/23/98/1029522398.db2.gz CSWHMOUZNLZDBQ-SJORKVTESA-N 1 1 318.505 3.892 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000121161128 1029535779 /nfs/dbraw/zinc/53/57/79/1029535779.db2.gz VHWRRQZIZDVQOO-NSHDSACASA-N 1 1 304.463 3.849 20 30 DHEDMO C=CC[C@@H](Cc1ccccc1)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000412845994 1029538110 /nfs/dbraw/zinc/53/81/10/1029538110.db2.gz WJQKWCDYAWVCOH-OALUTQOASA-N 1 1 314.473 3.555 20 30 DHEDMO Cc1cc([NH+]2CCCC2)ccc1NC[C@@H](O)c1ccc(C#N)cc1 ZINC000819397031 1029544737 /nfs/dbraw/zinc/54/47/37/1029544737.db2.gz GYHLTSOSUORSPS-HXUWFJFHSA-N 1 1 321.424 3.612 20 30 DHEDMO C[C@H]1CN(c2cccc(Cl)c2C#N)CC[N@H+](C2CCC2)C1 ZINC000450539251 1029546729 /nfs/dbraw/zinc/54/67/29/1029546729.db2.gz JELFEVGYXVBKSR-CYBMUJFWSA-N 1 1 303.837 3.522 20 30 DHEDMO C[N@H+]1Cc2ccc(NCc3cccc(OCCCC#N)c3)cc2C1 ZINC000121314834 1029671861 /nfs/dbraw/zinc/67/18/61/1029671861.db2.gz NZACXWFSYADSLJ-UHFFFAOYSA-N 1 1 321.424 3.927 20 30 DHEDMO C=C(C)C[N@H+](CCc1cscn1)Cc1cnn(C(C)C)c1 ZINC000450981239 1029758903 /nfs/dbraw/zinc/75/89/03/1029758903.db2.gz IGSZLSNLVNHMIJ-UHFFFAOYSA-N 1 1 304.463 3.541 20 30 DHEDMO C=CCOCC[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451023394 1029760377 /nfs/dbraw/zinc/76/03/77/1029760377.db2.gz UHKOHFOQCXKAJX-OAHLLOKOSA-N 1 1 305.809 3.556 20 30 DHEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451023394 1029760380 /nfs/dbraw/zinc/76/03/80/1029760380.db2.gz UHKOHFOQCXKAJX-OAHLLOKOSA-N 1 1 305.809 3.556 20 30 DHEDMO C=C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC)c1ccccc1 ZINC001136465829 1029858058 /nfs/dbraw/zinc/85/80/58/1029858058.db2.gz WUQZQMNWELRYOL-OALUTQOASA-N 1 1 314.473 3.727 20 30 DHEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000451407567 1029863051 /nfs/dbraw/zinc/86/30/51/1029863051.db2.gz MAPYXBAZNLJQBX-GXFFZTMASA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000451407567 1029863057 /nfs/dbraw/zinc/86/30/57/1029863057.db2.gz MAPYXBAZNLJQBX-GXFFZTMASA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000451402594 1029867480 /nfs/dbraw/zinc/86/74/80/1029867480.db2.gz BRRRYJIVLHQKLC-UONOGXRCSA-N 1 1 318.383 3.750 20 30 DHEDMO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000451604138 1029928287 /nfs/dbraw/zinc/92/82/87/1029928287.db2.gz GFGKABOHGAQIFP-CABCVRRESA-N 1 1 318.804 3.737 20 30 DHEDMO C[C@H]1C[C@@H](Nc2ncc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000413175036 1029939410 /nfs/dbraw/zinc/93/94/10/1029939410.db2.gz JGXXOFIGLWDNHE-YOEHRIQHSA-N 1 1 324.403 3.557 20 30 DHEDMO C[C@@H](Cc1ccccc1Br)[NH+]1CCC(C#N)CC1 ZINC001256838989 1029981193 /nfs/dbraw/zinc/98/11/93/1029981193.db2.gz UNNOQNYDEXVQGH-LBPRGKRZSA-N 1 1 307.235 3.616 20 30 DHEDMO CC(C)(C)OC(=O)c1ccccc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000865729796 1029994073 /nfs/dbraw/zinc/99/40/73/1029994073.db2.gz NNPHRXHESPIYJM-UHFFFAOYSA-N 1 1 322.408 3.803 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC001168133452 1030040844 /nfs/dbraw/zinc/04/08/44/1030040844.db2.gz BZRJDCHYJYMEFF-INIZCTEOSA-N 1 1 308.425 3.944 20 30 DHEDMO CCOc1cccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1O ZINC000822525602 1030046347 /nfs/dbraw/zinc/04/63/47/1030046347.db2.gz JRFJDFSRYKIZOK-AWEZNQCLSA-N 1 1 310.397 3.856 20 30 DHEDMO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCc1cc(C#N)cs1 ZINC000530953016 1030095273 /nfs/dbraw/zinc/09/52/73/1030095273.db2.gz UMVHFGSIYRQBKZ-RDJZCZTQSA-N 1 1 305.491 3.610 20 30 DHEDMO CC[C@H](C)Oc1ccc(-c2noc([C@H]([NH3+])CCCC#N)n2)cc1 ZINC000822812667 1030133560 /nfs/dbraw/zinc/13/35/60/1030133560.db2.gz JVFCTWKAZZTAOX-SWLSCSKDSA-N 1 1 314.389 3.608 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CN[C@H](C)c1c(C)noc1C)C(C)C ZINC000924644446 1030149124 /nfs/dbraw/zinc/14/91/24/1030149124.db2.gz YSDCDKBINBZDIC-PBHICJAKSA-N 1 1 305.466 3.641 20 30 DHEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCC(C)(C)CC2)c(C#N)c1C ZINC000357772758 1030181540 /nfs/dbraw/zinc/18/15/40/1030181540.db2.gz CUDKBDGWVCSQLZ-ZDUSSCGKSA-N 1 1 317.433 3.607 20 30 DHEDMO Cc1c(C)n(C2CCCC2)c2nc[nH+]c(NCCCS)c12 ZINC001171004001 1030190957 /nfs/dbraw/zinc/19/09/57/1030190957.db2.gz NHDSJQGIVFMLLH-UHFFFAOYSA-N 1 1 304.463 3.895 20 30 DHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)C12CCC2 ZINC000357801942 1030198823 /nfs/dbraw/zinc/19/88/23/1030198823.db2.gz KWPHXZGUCIWGNE-RTBURBONSA-N 1 1 323.440 3.590 20 30 DHEDMO CC[N@H+]1CC[C@@H](Nc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000245932092 1030205375 /nfs/dbraw/zinc/20/53/75/1030205375.db2.gz VMHZJUXTMCJZAW-MAUKXSAKSA-N 1 1 301.434 3.511 20 30 DHEDMO CC(C)(c1noc([C@@H]([NH3+])CCCC#N)n1)c1ccccc1Cl ZINC000823127933 1030217172 /nfs/dbraw/zinc/21/71/72/1030217172.db2.gz ADBKODNVIMFUPQ-ZDUSSCGKSA-N 1 1 318.808 3.743 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)C(C)C ZINC000533247395 1030221058 /nfs/dbraw/zinc/22/10/58/1030221058.db2.gz BRQQRAQKHZQAPZ-AWEZNQCLSA-N 1 1 306.475 3.880 20 30 DHEDMO Cc1ccccc1[C@@H](c1noc([C@@H]([NH3+])CCCC#N)n1)C(C)C ZINC000823210271 1030230620 /nfs/dbraw/zinc/23/06/20/1030230620.db2.gz PAQABUFFKRHGCI-HOTGVXAUSA-N 1 1 312.417 3.860 20 30 DHEDMO Cc1ccccc1[C@H](c1noc([C@H]([NH3+])CCCC#N)n1)C(C)C ZINC000823210272 1030231035 /nfs/dbraw/zinc/23/10/35/1030231035.db2.gz PAQABUFFKRHGCI-HZPDHXFCSA-N 1 1 312.417 3.860 20 30 DHEDMO Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)CCC2 ZINC000866336821 1030236764 /nfs/dbraw/zinc/23/67/64/1030236764.db2.gz NFELHSQDEWZXFS-YGRLFVJLSA-N 1 1 313.426 3.757 20 30 DHEDMO CC(F)(F)c1ccc(-c2noc([C@H]([NH3+])CCCC#N)n2)cc1 ZINC000823230776 1030236942 /nfs/dbraw/zinc/23/69/42/1030236942.db2.gz OUZDLONBUPNRJG-GFCCVEGCSA-N 1 1 306.316 3.542 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)NCc1ccccc1F ZINC000533290243 1030249166 /nfs/dbraw/zinc/24/91/66/1030249166.db2.gz VREDBSZLCVSJMZ-OAHLLOKOSA-N 1 1 306.425 3.509 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000533289045 1030250158 /nfs/dbraw/zinc/25/01/58/1030250158.db2.gz QCZXDHMDKNOION-AWEZNQCLSA-N 1 1 319.405 3.600 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000533300632 1030259669 /nfs/dbraw/zinc/25/96/69/1030259669.db2.gz HYCBDLBVEPUSRF-HUUCEWRRSA-N 1 1 314.429 3.897 20 30 DHEDMO CC[N@@H+](CCc1cccs1)Cc1cc(C#N)ccc1OC ZINC000533325306 1030268885 /nfs/dbraw/zinc/26/88/85/1030268885.db2.gz OALRVUVSHBVIFF-UHFFFAOYSA-N 1 1 300.427 3.693 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000823617567 1030339771 /nfs/dbraw/zinc/33/97/71/1030339771.db2.gz KFCVVNVIKLXGMT-INIZCTEOSA-N 1 1 319.408 3.892 20 30 DHEDMO CC(=O)Oc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000823619043 1030342715 /nfs/dbraw/zinc/34/27/15/1030342715.db2.gz WWNDLINJSFVOAF-AWEZNQCLSA-N 1 1 308.381 3.677 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1c(F)cccc1F ZINC000823617755 1030343372 /nfs/dbraw/zinc/34/33/72/1030343372.db2.gz MFJVEABHPLEVEH-SJKOYZFVSA-N 1 1 316.351 3.563 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000823616614 1030344190 /nfs/dbraw/zinc/34/41/90/1030344190.db2.gz BGWVABXITQNGOI-KPZWWZAWSA-N 1 1 316.351 3.563 20 30 DHEDMO C=CCCCCC[N@@H+](C)CC(=O)Nc1ccccc1C(C)=O ZINC000533426045 1030347585 /nfs/dbraw/zinc/34/75/85/1030347585.db2.gz FDERIGCFVSRYPZ-UHFFFAOYSA-N 1 1 302.418 3.506 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccccc1C(C)=O ZINC000533426045 1030347599 /nfs/dbraw/zinc/34/75/99/1030347599.db2.gz FDERIGCFVSRYPZ-UHFFFAOYSA-N 1 1 302.418 3.506 20 30 DHEDMO C=CCCC[N@H+](C)[C@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000533437378 1030354251 /nfs/dbraw/zinc/35/42/51/1030354251.db2.gz HCPIUQXMJKLEDC-KRWDZBQOSA-N 1 1 304.409 3.528 20 30 DHEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccnn1CC1CCC1 ZINC000925472311 1030372531 /nfs/dbraw/zinc/37/25/31/1030372531.db2.gz DIUBAUIHQJFEDI-CYBMUJFWSA-N 1 1 312.392 3.545 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(Br)cc1SC ZINC000358291317 1030423443 /nfs/dbraw/zinc/42/34/43/1030423443.db2.gz SRHPTXCJNYYGNW-GFCCVEGCSA-N 1 1 313.264 3.953 20 30 DHEDMO Cc1cc(NCc2cc(C#N)n(C)c2)c[nH+]c1N1CCCC[C@H]1C ZINC000358372296 1030459372 /nfs/dbraw/zinc/45/93/72/1030459372.db2.gz AUCKTXOEVDRKQT-OAHLLOKOSA-N 1 1 323.444 3.591 20 30 DHEDMO CCCCn1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c(C)n1 ZINC000358552283 1030531468 /nfs/dbraw/zinc/53/14/68/1030531468.db2.gz DSNOWMFFWPHPJU-CQSZACIVSA-N 1 1 314.408 3.853 20 30 DHEDMO CSc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)ccn1 ZINC000358569369 1030540573 /nfs/dbraw/zinc/54/05/73/1030540573.db2.gz MIMQWFYRMMOPFW-LLVKDONJSA-N 1 1 301.390 3.665 20 30 DHEDMO CC(N=Nc1cccc(F)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000795008917 1030568003 /nfs/dbraw/zinc/56/80/03/1030568003.db2.gz SUDWSPULLNCTRQ-INIZCTEOSA-N 1 1 312.392 3.531 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)CCC(=O)Nc1ccccc1 ZINC000072692933 1030577960 /nfs/dbraw/zinc/57/79/60/1030577960.db2.gz RJFODDHKLFTAGP-UHFFFAOYSA-N 1 1 301.434 3.667 20 30 DHEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1sccc1C ZINC001275611055 1030587376 /nfs/dbraw/zinc/58/73/76/1030587376.db2.gz SLJZNHGGXRGUCP-GOSISDBHSA-N 1 1 318.486 3.590 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000558466828 1030591816 /nfs/dbraw/zinc/59/18/16/1030591816.db2.gz RMDVZHUZWNOHRD-FQEVSTJZSA-N 1 1 322.383 3.667 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000558466828 1030591824 /nfs/dbraw/zinc/59/18/24/1030591824.db2.gz RMDVZHUZWNOHRD-FQEVSTJZSA-N 1 1 322.383 3.667 20 30 DHEDMO N#Cc1cccc2c1CC[C@H]2Nc1[nH+]cccc1C1CCOCC1 ZINC001171064558 1030626638 /nfs/dbraw/zinc/62/66/38/1030626638.db2.gz HJRZXELRRDLUIN-LJQANCHMSA-N 1 1 319.408 3.947 20 30 DHEDMO CC[C@@H]([NH2+]Cc1cc(F)ccc1OC)c1cccc(C#N)c1O ZINC000926218319 1030659629 /nfs/dbraw/zinc/65/96/29/1030659629.db2.gz CIGZFHHZFQARSP-MRXNPFEDSA-N 1 1 314.360 3.652 20 30 DHEDMO Cc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cc1F ZINC000558621541 1030687414 /nfs/dbraw/zinc/68/74/14/1030687414.db2.gz YUEOXFCTFKJTOC-UHFFFAOYSA-N 1 1 309.388 3.587 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3c2nccc3Cl)cc1F ZINC000926550844 1030796013 /nfs/dbraw/zinc/79/60/13/1030796013.db2.gz PIFXVRTZJYLSTA-HNNXBMFYSA-N 1 1 301.752 3.523 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000076733748 1030816558 /nfs/dbraw/zinc/81/65/58/1030816558.db2.gz DPLRUGPSRKDEQG-GFCCVEGCSA-N 1 1 303.431 3.521 20 30 DHEDMO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000614924920 1030857239 /nfs/dbraw/zinc/85/72/39/1030857239.db2.gz PELHRDJFESGZEH-IUODEOHRSA-N 1 1 312.335 3.663 20 30 DHEDMO C[N@H+](Cc1ccc(Br)o1)Cc1ccc(C#N)c(F)c1 ZINC000191892053 1030858339 /nfs/dbraw/zinc/85/83/39/1030858339.db2.gz RIKHVEWLWMHROQ-UHFFFAOYSA-N 1 1 323.165 3.685 20 30 DHEDMO C[N@@H+](Cc1ccc(Br)o1)Cc1ccc(C#N)c(F)c1 ZINC000191892053 1030858360 /nfs/dbraw/zinc/85/83/60/1030858360.db2.gz RIKHVEWLWMHROQ-UHFFFAOYSA-N 1 1 323.165 3.685 20 30 DHEDMO COc1cccc(CC[N@H+](C)Cc2c(Cl)cccc2C#N)c1 ZINC001143726317 1030934209 /nfs/dbraw/zinc/93/42/09/1030934209.db2.gz LXCAPUVOELUQNL-UHFFFAOYSA-N 1 1 314.816 3.895 20 30 DHEDMO COc1cccc(CC[N@@H+](C)Cc2c(Cl)cccc2C#N)c1 ZINC001143726317 1030934220 /nfs/dbraw/zinc/93/42/20/1030934220.db2.gz LXCAPUVOELUQNL-UHFFFAOYSA-N 1 1 314.816 3.895 20 30 DHEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)CC1 ZINC001143791342 1030973594 /nfs/dbraw/zinc/97/35/94/1030973594.db2.gz KGDZZXIFWLICGP-NSHDSACASA-N 1 1 316.298 3.850 20 30 DHEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)CC1 ZINC001143791342 1030973604 /nfs/dbraw/zinc/97/36/04/1030973604.db2.gz KGDZZXIFWLICGP-NSHDSACASA-N 1 1 316.298 3.850 20 30 DHEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)CC1 ZINC001143791341 1030974392 /nfs/dbraw/zinc/97/43/92/1030974392.db2.gz KGDZZXIFWLICGP-LLVKDONJSA-N 1 1 316.298 3.850 20 30 DHEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)CC1 ZINC001143791341 1030974405 /nfs/dbraw/zinc/97/44/05/1030974405.db2.gz KGDZZXIFWLICGP-LLVKDONJSA-N 1 1 316.298 3.850 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(C)ccc1OC ZINC000080039977 1031037936 /nfs/dbraw/zinc/03/79/36/1031037936.db2.gz RYABEYMUWIZLKZ-UHFFFAOYSA-N 1 1 324.424 3.524 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C)ccc1OC ZINC000080039977 1031037946 /nfs/dbraw/zinc/03/79/46/1031037946.db2.gz RYABEYMUWIZLKZ-UHFFFAOYSA-N 1 1 324.424 3.524 20 30 DHEDMO CC(C)Oc1ccccc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370248 1031070260 /nfs/dbraw/zinc/07/02/60/1031070260.db2.gz POLNXQNYUZOXFQ-IBGZPJMESA-N 1 1 324.424 3.511 20 30 DHEDMO Cc1cccc(Cl)c1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844372119 1031071899 /nfs/dbraw/zinc/07/18/99/1031071899.db2.gz VBAYZRRYYCPPSI-SFHVURJKSA-N 1 1 314.816 3.686 20 30 DHEDMO Cc1nc(C(C)C)ccc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844371886 1031074322 /nfs/dbraw/zinc/07/43/22/1031074322.db2.gz ROCRBJHAZGDUEY-FQEVSTJZSA-N 1 1 323.440 3.551 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCc3ccsc3C2)c1O ZINC000760286059 1031118828 /nfs/dbraw/zinc/11/88/28/1031118828.db2.gz PPTYWTWTJDHNAM-UHFFFAOYSA-N 1 1 315.438 3.749 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCc2ccccc21 ZINC000844424508 1031121245 /nfs/dbraw/zinc/12/12/45/1031121245.db2.gz DCBFVFGEPPQBCB-INIZCTEOSA-N 1 1 306.409 3.751 20 30 DHEDMO C=CCCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000359787073 1031138618 /nfs/dbraw/zinc/13/86/18/1031138618.db2.gz CHMRIEBMLLYXJD-SJLPKXTDSA-N 1 1 312.457 3.512 20 30 DHEDMO Cc1nc(NCCCC[N@@H+]2CCC[C@@H](C)C2)c(Cl)cc1C#N ZINC000359900124 1031187660 /nfs/dbraw/zinc/18/76/60/1031187660.db2.gz OMPQLWUFKZJRTA-CYBMUJFWSA-N 1 1 320.868 3.839 20 30 DHEDMO Cc1nc(NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c(Cl)cc1C#N ZINC000359907687 1031189917 /nfs/dbraw/zinc/18/99/17/1031189917.db2.gz XAKSAYOYKDJGTQ-NWDGAFQWSA-N 1 1 306.841 3.590 20 30 DHEDMO Cc1ccc(C#N)cc1C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888578925 1031221094 /nfs/dbraw/zinc/22/10/94/1031221094.db2.gz GCVHACZZHFNGQW-UHFFFAOYSA-N 1 1 320.396 3.504 20 30 DHEDMO C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cncc(C#N)c1 ZINC001144075643 1031227026 /nfs/dbraw/zinc/22/70/26/1031227026.db2.gz ROPREEJLCBOLRP-UHFFFAOYSA-N 1 1 306.196 3.892 20 30 DHEDMO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cncc(C#N)c1 ZINC001144075643 1031227040 /nfs/dbraw/zinc/22/70/40/1031227040.db2.gz ROPREEJLCBOLRP-UHFFFAOYSA-N 1 1 306.196 3.892 20 30 DHEDMO CC[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cn1 ZINC001144166714 1031305944 /nfs/dbraw/zinc/30/59/44/1031305944.db2.gz RZUYGIIJJMCZMS-UHFFFAOYSA-N 1 1 319.330 3.994 20 30 DHEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1cccc(CC)c1)C2 ZINC001144323344 1031464893 /nfs/dbraw/zinc/46/48/93/1031464893.db2.gz YMZAROUDRZRZBT-UXHICEINSA-N 1 1 315.457 3.575 20 30 DHEDMO N#CCC[N@@H+](Cc1ccc(F)c(Br)c1)CC1CC1 ZINC000081060558 1031482678 /nfs/dbraw/zinc/48/26/78/1031482678.db2.gz ZDKRAXSUHIBXEX-UHFFFAOYSA-N 1 1 311.198 3.714 20 30 DHEDMO N#CCC[N@H+](Cc1ccc(F)c(Br)c1)CC1CC1 ZINC000081060558 1031482688 /nfs/dbraw/zinc/48/26/88/1031482688.db2.gz ZDKRAXSUHIBXEX-UHFFFAOYSA-N 1 1 311.198 3.714 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000537047991 1031496694 /nfs/dbraw/zinc/49/66/94/1031496694.db2.gz CUEYTWJUOROZIY-ROUUACIJSA-N 1 1 314.473 3.873 20 30 DHEDMO N#Cc1ccc(C[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C2CC2)cc1 ZINC000929367018 1031503162 /nfs/dbraw/zinc/50/31/62/1031503162.db2.gz JTLNBHGXDNFTRN-ACHSLPGTSA-N 1 1 302.368 3.814 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000360668571 1031512011 /nfs/dbraw/zinc/51/20/11/1031512011.db2.gz IBZZYABAQDXDBP-FQEVSTJZSA-N 1 1 304.393 3.580 20 30 DHEDMO C[C@@H](c1cccs1)[N@H+](Cc1ccccc1)C[C@H](O)CC#N ZINC000929402104 1031515081 /nfs/dbraw/zinc/51/50/81/1031515081.db2.gz MWTXPCHYWRGLNY-GOEBONIOSA-N 1 1 300.427 3.586 20 30 DHEDMO C#CC[N@H+](Cc1cc(Br)c(Cl)s1)C1CC1 ZINC000792175413 1031527481 /nfs/dbraw/zinc/52/74/81/1031527481.db2.gz TZGQXMGWNYEUQP-UHFFFAOYSA-N 1 1 304.640 3.762 20 30 DHEDMO C#CC[N@@H+](Cc1cc(Br)c(Cl)s1)C1CC1 ZINC000792175413 1031527464 /nfs/dbraw/zinc/52/74/64/1031527464.db2.gz TZGQXMGWNYEUQP-UHFFFAOYSA-N 1 1 304.640 3.762 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000537187424 1031531414 /nfs/dbraw/zinc/53/14/14/1031531414.db2.gz GNQFREOSTPZWQQ-IAGOWNOFSA-N 1 1 309.498 3.543 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccccc2OCC(C)C)no1 ZINC000872176943 1031549603 /nfs/dbraw/zinc/54/96/03/1031549603.db2.gz WOPZBGYEUVMILJ-ZDUSSCGKSA-N 1 1 321.808 3.914 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(CSC)cc2)no1 ZINC000872175992 1031549895 /nfs/dbraw/zinc/54/98/95/1031549895.db2.gz MUSAILHVSJJWNF-LBPRGKRZSA-N 1 1 309.822 3.742 20 30 DHEDMO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1N(C)C)c1cccc(C#N)c1 ZINC000360758835 1031550219 /nfs/dbraw/zinc/55/02/19/1031550219.db2.gz JCDCWHRBNVTFJC-RVHYNSKXSA-N 1 1 319.452 3.827 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(Cc2c(C)[nH]c3ccccc32)no1 ZINC000872176122 1031551291 /nfs/dbraw/zinc/55/12/91/1031551291.db2.gz VUDRTPOPSDZKPW-CYBMUJFWSA-N 1 1 316.792 3.593 20 30 DHEDMO C=CC[N@H+](CCc1cc(Cl)c2c(c1)OCCCO2)C1CC1 ZINC000537287682 1031553796 /nfs/dbraw/zinc/55/37/96/1031553796.db2.gz IVPWFSOWODCBOH-UHFFFAOYSA-N 1 1 307.821 3.694 20 30 DHEDMO CCCO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929606235 1031557830 /nfs/dbraw/zinc/55/78/30/1031557830.db2.gz VWCKJWJKADIQQQ-KRWDZBQOSA-N 1 1 306.837 3.993 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2CCC(C#N)CC2)C1 ZINC000929644971 1031566951 /nfs/dbraw/zinc/56/69/51/1031566951.db2.gz YYWQXBRMUCQGCJ-DCCYDQLOSA-N 1 1 317.521 3.903 20 30 DHEDMO C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929644971 1031566957 /nfs/dbraw/zinc/56/69/57/1031566957.db2.gz YYWQXBRMUCQGCJ-DCCYDQLOSA-N 1 1 317.521 3.903 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000360834501 1031582311 /nfs/dbraw/zinc/58/23/11/1031582311.db2.gz IPLPGMIHFOBZEQ-XUVXKRRUSA-N 1 1 309.457 3.542 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000360834501 1031582327 /nfs/dbraw/zinc/58/23/27/1031582327.db2.gz IPLPGMIHFOBZEQ-XUVXKRRUSA-N 1 1 309.457 3.542 20 30 DHEDMO C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000929709177 1031584892 /nfs/dbraw/zinc/58/48/92/1031584892.db2.gz KXAWQMLXQIHJFK-YHRBYZFPSA-N 1 1 316.420 3.917 20 30 DHEDMO [NH2+]=C(Nc1cnc2c(c1)CN=N2)c1ccc2cc(O)ccc2c1 ZINC001171185093 1031592141 /nfs/dbraw/zinc/59/21/41/1031592141.db2.gz FPBWLBYYEQEKCX-UHFFFAOYSA-N 1 1 303.325 3.575 20 30 DHEDMO Cc1cccc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c1C#N ZINC001171184091 1031593452 /nfs/dbraw/zinc/59/34/52/1031593452.db2.gz DSVFDUAZPQCQBJ-UHFFFAOYSA-N 1 1 301.349 3.763 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000929833690 1031619364 /nfs/dbraw/zinc/61/93/64/1031619364.db2.gz ZZDXPQINWOUSDO-PKOBYXMFSA-N 1 1 324.424 3.856 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000929833689 1031619458 /nfs/dbraw/zinc/61/94/58/1031619458.db2.gz ZZDXPQINWOUSDO-MJGOQNOKSA-N 1 1 324.424 3.856 20 30 DHEDMO COCC[N@@H+](Cc1ccc(CC#N)cc1)[C@H](C)c1ccccc1 ZINC000612065844 1031630609 /nfs/dbraw/zinc/63/06/09/1031630609.db2.gz ACLGLOWPCCSZNR-QGZVFWFLSA-N 1 1 308.425 3.962 20 30 DHEDMO N#Cc1ccc(C2CC[NH+](Cc3cc(F)ncc3F)CC2)cc1 ZINC000897588452 1031660033 /nfs/dbraw/zinc/66/00/33/1031660033.db2.gz CGCQVDDBQZCUOC-UHFFFAOYSA-N 1 1 313.351 3.611 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@@H+](C[C@H]3C[C@H]3c3ccccc3)CCO2)cc1 ZINC000897596466 1031677612 /nfs/dbraw/zinc/67/76/12/1031677612.db2.gz QPMWMSVGCBWQPA-HKBOAZHASA-N 1 1 318.420 3.735 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361044236 1031694213 /nfs/dbraw/zinc/69/42/13/1031694213.db2.gz HUNPBNIFCXQQLJ-CQSZACIVSA-N 1 1 308.381 3.522 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1Cc2ccccc2[C@H]1C ZINC000361044236 1031694220 /nfs/dbraw/zinc/69/42/20/1031694220.db2.gz HUNPBNIFCXQQLJ-CQSZACIVSA-N 1 1 308.381 3.522 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](Cc3ccccc3CF)CCO2)c1 ZINC000930135150 1031709861 /nfs/dbraw/zinc/70/98/61/1031709861.db2.gz LLIDEWKQINNNPZ-LJQANCHMSA-N 1 1 310.372 3.601 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3CF)CCO2)c1 ZINC000930135150 1031709877 /nfs/dbraw/zinc/70/98/77/1031709877.db2.gz LLIDEWKQINNNPZ-LJQANCHMSA-N 1 1 310.372 3.601 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H](Sc3ccncc3)C2)cc1 ZINC001144573088 1031721635 /nfs/dbraw/zinc/72/16/35/1031721635.db2.gz APLZVWPZMJPNON-LJQANCHMSA-N 1 1 308.450 3.820 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)cc1 ZINC001144572313 1031722420 /nfs/dbraw/zinc/72/24/20/1031722420.db2.gz WPDOLASQEVAABB-QHAWAJNXSA-N 1 1 309.453 3.695 20 30 DHEDMO C=CCN(CC=C)[C@@H](C[NH2+][C@@H](C)c1csc(C)n1)C(C)C ZINC000361098662 1031726242 /nfs/dbraw/zinc/72/62/42/1031726242.db2.gz UEJKHYYXGNRRML-YOEHRIQHSA-N 1 1 307.507 3.801 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000897625512 1031750447 /nfs/dbraw/zinc/75/04/47/1031750447.db2.gz LJQPEOWFXQZSSX-CYBMUJFWSA-N 1 1 311.410 3.543 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1cncc(-c2cc(F)ccc2OC)c1 ZINC000930245097 1031754625 /nfs/dbraw/zinc/75/46/25/1031754625.db2.gz RBSWTXXVZABKMV-UHFFFAOYSA-N 1 1 300.377 3.904 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000930308362 1031775046 /nfs/dbraw/zinc/77/50/46/1031775046.db2.gz YAAFLXHVISWBAN-LJQANCHMSA-N 1 1 308.429 3.636 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)nc1 ZINC000845959787 1031793561 /nfs/dbraw/zinc/79/35/61/1031793561.db2.gz NORROWQJPQXWAU-AWEZNQCLSA-N 1 1 301.752 3.523 20 30 DHEDMO CSc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)s1 ZINC000846007067 1031804790 /nfs/dbraw/zinc/80/47/90/1031804790.db2.gz MTXQHVYBJZRRCC-HNNXBMFYSA-N 1 1 318.467 3.507 20 30 DHEDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1Cl ZINC000846006143 1031804924 /nfs/dbraw/zinc/80/49/24/1031804924.db2.gz GJIPHKYYEHUHMM-GOSISDBHSA-N 1 1 314.816 3.686 20 30 DHEDMO CN(CCC#N)c1ccc(CNc2ccc(C3CC3)c[nH+]2)cc1 ZINC000897712646 1031804911 /nfs/dbraw/zinc/80/49/11/1031804911.db2.gz SINFUIHJDFRDQP-UHFFFAOYSA-N 1 1 306.413 3.921 20 30 DHEDMO CC[C@@H](C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000846008838 1031807015 /nfs/dbraw/zinc/80/70/15/1031807015.db2.gz YEIPIWTYFLOFKN-PXNSSMCTSA-N 1 1 308.425 3.717 20 30 DHEDMO N#CC1CCC(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)CC1 ZINC000930512609 1031853875 /nfs/dbraw/zinc/85/38/75/1031853875.db2.gz GGAVJEABTPYZDR-UHYCVJNDSA-N 1 1 310.441 3.786 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000930612634 1031889152 /nfs/dbraw/zinc/88/91/52/1031889152.db2.gz UNWPTOANVWKZBD-RLLQIKCJSA-N 1 1 312.457 3.691 20 30 DHEDMO C[N@H+]1CCN(CCCCC2(C#N)CCC2)CC12CCCCC2 ZINC000930611617 1031891208 /nfs/dbraw/zinc/89/12/08/1031891208.db2.gz KBFXDVSFHIBOJH-UHFFFAOYSA-N 1 1 303.494 3.801 20 30 DHEDMO CN1CC[N@H+](CCCCC2(C#N)CCC2)CC12CCCCC2 ZINC000930611617 1031891216 /nfs/dbraw/zinc/89/12/16/1031891216.db2.gz KBFXDVSFHIBOJH-UHFFFAOYSA-N 1 1 303.494 3.801 20 30 DHEDMO CN1CC[N@@H+](CCCCC2(C#N)CCC2)CC12CCCCC2 ZINC000930611617 1031891228 /nfs/dbraw/zinc/89/12/28/1031891228.db2.gz KBFXDVSFHIBOJH-UHFFFAOYSA-N 1 1 303.494 3.801 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000930809994 1031956107 /nfs/dbraw/zinc/95/61/07/1031956107.db2.gz FCRFGQPRSAXCNS-RDJZCZTQSA-N 1 1 304.821 3.603 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001171221128 1031959130 /nfs/dbraw/zinc/95/91/30/1031959130.db2.gz IJVCLQCAIPAPEE-VQIMIIECSA-N 1 1 305.425 3.764 20 30 DHEDMO C[N@@H+](CCc1ncc(-c2ccccc2)o1)Cc1ccc(C#N)cc1 ZINC000361535569 1031975712 /nfs/dbraw/zinc/97/57/12/1031975712.db2.gz JOBHLIXXCCQDGL-UHFFFAOYSA-N 1 1 317.392 3.888 20 30 DHEDMO C#CCOc1ccc(C[NH2+]Cc2csc(-c3ccco3)n2)cc1 ZINC000124842202 1031978817 /nfs/dbraw/zinc/97/88/17/1031978817.db2.gz IYCSHEKENPPJMG-UHFFFAOYSA-N 1 1 324.405 3.705 20 30 DHEDMO COc1cccc([C@H]2CC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171231878 1032002291 /nfs/dbraw/zinc/00/22/91/1032002291.db2.gz NEEWTTVIGVAZPH-JXFKEZNVSA-N 1 1 320.436 3.987 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1F)C[C@H]1CC=CCC1 ZINC000361677217 1032050878 /nfs/dbraw/zinc/05/08/78/1032050878.db2.gz FKTHYZIJFKRWII-HNNXBMFYSA-N 1 1 302.393 3.502 20 30 DHEDMO C#CC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C1 ZINC001172648826 1033302449 /nfs/dbraw/zinc/30/24/49/1033302449.db2.gz JTWSHRUYYUVVJD-HOTGVXAUSA-N 1 1 308.466 3.510 20 30 DHEDMO C[N@H+](Cc1cc(C#N)cnc1Cl)CC1(c2ccccc2)CC1 ZINC000877458227 1033305747 /nfs/dbraw/zinc/30/57/47/1033305747.db2.gz MGDPGQJZKWRQOJ-UHFFFAOYSA-N 1 1 311.816 3.770 20 30 DHEDMO C[N@@H+](Cc1cc(C#N)cnc1Cl)CC1(c2ccccc2)CC1 ZINC000877458227 1033305762 /nfs/dbraw/zinc/30/57/62/1033305762.db2.gz MGDPGQJZKWRQOJ-UHFFFAOYSA-N 1 1 311.816 3.770 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000877484913 1033317446 /nfs/dbraw/zinc/31/74/46/1033317446.db2.gz HQMIAARYPMOMPE-CABCVRRESA-N 1 1 315.417 3.576 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCCc3ccc(F)cc32)c1 ZINC000877492034 1033321126 /nfs/dbraw/zinc/32/11/26/1033321126.db2.gz ZUXZLWJWFAMIGY-INIZCTEOSA-N 1 1 315.779 3.913 20 30 DHEDMO COc1ccc(C[N@@H+](CCCCC#N)[C@@H](C)C2CC2)c(OC)c1 ZINC000338372916 1033335465 /nfs/dbraw/zinc/33/54/65/1033335465.db2.gz QIQFFZRPAJNINJ-HNNXBMFYSA-N 1 1 316.445 3.998 20 30 DHEDMO C#CCCCCCC[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000877565405 1033362037 /nfs/dbraw/zinc/36/20/37/1033362037.db2.gz YHADKBYYTQITOK-UHFFFAOYSA-N 1 1 314.477 3.922 20 30 DHEDMO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CC2(C#N)CCC2)cc1 ZINC000877593535 1033372907 /nfs/dbraw/zinc/37/29/07/1033372907.db2.gz CORSOASSZVUEGJ-UHFFFAOYSA-N 1 1 315.417 3.817 20 30 DHEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3cc(C#N)cs3)C2)[nH]n1 ZINC000877783729 1033449573 /nfs/dbraw/zinc/44/95/73/1033449573.db2.gz DYVJUABPRDWZLT-CQSZACIVSA-N 1 1 314.458 3.846 20 30 DHEDMO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3cc(C#N)cs3)C2)n[nH]1 ZINC000877783729 1033449586 /nfs/dbraw/zinc/44/95/86/1033449586.db2.gz DYVJUABPRDWZLT-CQSZACIVSA-N 1 1 314.458 3.846 20 30 DHEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3cc(C#N)cs3)C2)n[nH]1 ZINC000877783729 1033449590 /nfs/dbraw/zinc/44/95/90/1033449590.db2.gz DYVJUABPRDWZLT-CQSZACIVSA-N 1 1 314.458 3.846 20 30 DHEDMO CCCC[N@@H+](CCC#N)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910878 1033485744 /nfs/dbraw/zinc/48/57/44/1033485744.db2.gz PRRUAKXBXGPAFO-KRWDZBQOSA-N 1 1 315.417 3.858 20 30 DHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172980347 1033491899 /nfs/dbraw/zinc/49/18/99/1033491899.db2.gz WKQHLVWPUCJXET-FZKCQIBNSA-N 1 1 321.465 3.541 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)CC1CCCCC1)c1ccccc1 ZINC000877898836 1033503510 /nfs/dbraw/zinc/50/35/10/1033503510.db2.gz FYPDUEZANBTZIF-HXUWFJFHSA-N 1 1 312.457 3.939 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+](C1CCC3(CCOCC3)CC1)CC2 ZINC001173045976 1033510502 /nfs/dbraw/zinc/51/05/02/1033510502.db2.gz BZCNDRKTDLRPEA-UHFFFAOYSA-N 1 1 310.441 3.656 20 30 DHEDMO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@H](C#N)C1 ZINC001173088851 1033518602 /nfs/dbraw/zinc/51/86/02/1033518602.db2.gz RLTOPICDDZMCDL-GXTWGEPZSA-N 1 1 312.335 3.752 20 30 DHEDMO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](C#N)C1 ZINC001173088851 1033518610 /nfs/dbraw/zinc/51/86/10/1033518610.db2.gz RLTOPICDDZMCDL-GXTWGEPZSA-N 1 1 312.335 3.752 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000877934046 1033521692 /nfs/dbraw/zinc/52/16/92/1033521692.db2.gz ZXGKGGGQEZEQDO-FQEVSTJZSA-N 1 1 306.409 3.559 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](CCC(C)C)C1CC1)c1ccccc1 ZINC000877966270 1033534242 /nfs/dbraw/zinc/53/42/42/1033534242.db2.gz FRMCDTDFXHRUAM-FQEVSTJZSA-N 1 1 312.457 3.938 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(OCC2CC2)c(F)c1 ZINC000153427001 1033577461 /nfs/dbraw/zinc/57/74/61/1033577461.db2.gz XDHLRHFOBNDSRS-GFCCVEGCSA-N 1 1 314.360 3.930 20 30 DHEDMO OC1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC000878277772 1033646424 /nfs/dbraw/zinc/64/64/24/1033646424.db2.gz ZNXJGUXXOHITIV-CBQGHPETSA-N 1 1 317.432 3.553 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](C)CSCC)[C@H]2CC ZINC001173302083 1033656819 /nfs/dbraw/zinc/65/68/19/1033656819.db2.gz ODILLUQVVKZUNX-BQFCYCMXSA-N 1 1 324.534 3.550 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](C)CSCC)[C@H]2CC ZINC001173302084 1033656850 /nfs/dbraw/zinc/65/68/50/1033656850.db2.gz ODILLUQVVKZUNX-RYRKJORJSA-N 1 1 324.534 3.550 20 30 DHEDMO C=CCOC1CCC([N@H+]2Cc3cnn(-c4ccccc4)c3C2)CC1 ZINC001173323422 1033685677 /nfs/dbraw/zinc/68/56/77/1033685677.db2.gz XXZXWMKSSWOWSQ-UHFFFAOYSA-N 1 1 323.440 3.702 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC1 ZINC001173321065 1033686182 /nfs/dbraw/zinc/68/61/82/1033686182.db2.gz WAWWMAOWQDSENH-FAFZWHIHSA-N 1 1 319.420 3.793 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@H](c3ccc(OC)cc3)C2)CC1 ZINC001173322854 1033686199 /nfs/dbraw/zinc/68/61/99/1033686199.db2.gz NKMFHGRRSWMLRU-ZJRDLVKKSA-N 1 1 315.457 3.998 20 30 DHEDMO N#CCC1CCC([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001173325614 1033686301 /nfs/dbraw/zinc/68/63/01/1033686301.db2.gz LOTAYTHTHFCZPW-SKINQDTJSA-N 1 1 311.473 3.571 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)C[C@@H]1CC=CCC1)c1ccccc1 ZINC000878404749 1033692482 /nfs/dbraw/zinc/69/24/82/1033692482.db2.gz TXJRATIZEYTSNL-QUCCMNQESA-N 1 1 310.441 3.715 20 30 DHEDMO N#CCC1CCC([N@H+]2CCc3c(cnn3-c3ccccc3)C2)CC1 ZINC001173338468 1033694951 /nfs/dbraw/zinc/69/49/51/1033694951.db2.gz FOXPEHGWPUFYPX-UHFFFAOYSA-N 1 1 320.440 3.703 20 30 DHEDMO CC(C)c1noc([C@H]2CCC[N@H+](C3CCC(CC#N)CC3)C2)n1 ZINC001173337583 1033695375 /nfs/dbraw/zinc/69/53/75/1033695375.db2.gz PDORFJXMBNVSON-PCKAHOCUSA-N 1 1 316.449 3.845 20 30 DHEDMO COc1ccccc1O[C@H]1CC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173337619 1033695435 /nfs/dbraw/zinc/69/54/35/1033695435.db2.gz QUHIBXRJBGBULI-JCYILVPMSA-N 1 1 314.429 3.621 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@@H](C)C(C)(C)C1)c1ccccc1 ZINC000878432828 1033704707 /nfs/dbraw/zinc/70/47/07/1033704707.db2.gz KEMMWHCDJZOELW-UZLBHIALSA-N 1 1 312.457 3.795 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000829768483 1033746125 /nfs/dbraw/zinc/74/61/25/1033746125.db2.gz DRYQVSKOOMQFRJ-ZDUSSCGKSA-N 1 1 315.804 3.625 20 30 DHEDMO CCCC[C@H](C)[N@@H+](C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878632578 1033776292 /nfs/dbraw/zinc/77/62/92/1033776292.db2.gz HIWSWCLEJZGGTF-QFBILLFUSA-N 1 1 300.446 3.938 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001173595982 1033781643 /nfs/dbraw/zinc/78/16/43/1033781643.db2.gz FHECTPLQAYCMRX-UHFFFAOYSA-N 1 1 311.473 3.667 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC1 ZINC001173596344 1033782129 /nfs/dbraw/zinc/78/21/29/1033782129.db2.gz SPJFEZLUTSSBCN-IIIMJFFVSA-N 1 1 302.393 3.751 20 30 DHEDMO Cc1ccnc(O[C@@H]2CCC[N@H+](C3CCC(C)(C#N)CC3)C2)c1 ZINC001173597464 1033783825 /nfs/dbraw/zinc/78/38/25/1033783825.db2.gz UTHOKUBTWNDNKX-TVRKMHQQSA-N 1 1 313.445 3.706 20 30 DHEDMO CC1(C#N)CCC([N@H+]2Cc3cnc(-c4ccccc4)nc3C2)CC1 ZINC001173600348 1033788417 /nfs/dbraw/zinc/78/84/17/1033788417.db2.gz BIAVYHAQUIULTP-UHFFFAOYSA-N 1 1 318.424 3.932 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000878761960 1033820485 /nfs/dbraw/zinc/82/04/85/1033820485.db2.gz UDWSOOFIAVUIPT-SOUVJXGZSA-N 1 1 315.379 3.660 20 30 DHEDMO C=C1CCC(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)CC1 ZINC000890272635 1033836954 /nfs/dbraw/zinc/83/69/54/1033836954.db2.gz IAMVEGWGKZTFJP-UHFFFAOYSA-N 1 1 314.429 3.506 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000878843688 1033840774 /nfs/dbraw/zinc/84/07/74/1033840774.db2.gz GCQVNUCXAXKAPI-HNNXBMFYSA-N 1 1 317.392 3.735 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000878843688 1033840786 /nfs/dbraw/zinc/84/07/86/1033840786.db2.gz GCQVNUCXAXKAPI-HNNXBMFYSA-N 1 1 317.392 3.735 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000862443366 1033856545 /nfs/dbraw/zinc/85/65/45/1033856545.db2.gz OTGRPSXAZIQXRQ-OAHLLOKOSA-N 1 1 319.408 3.679 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000862473223 1033861342 /nfs/dbraw/zinc/86/13/42/1033861342.db2.gz JSWJNSUVMFZRMW-MSOLQXFVSA-N 1 1 301.455 3.559 20 30 DHEDMO CCc1cccc(C[N@H+]2CCc3c(CC#N)cccc3C2)c1O ZINC000862544852 1033883231 /nfs/dbraw/zinc/88/32/31/1033883231.db2.gz XDFRCURPLQRMQF-UHFFFAOYSA-N 1 1 306.409 3.579 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000553987258 1033918086 /nfs/dbraw/zinc/91/80/86/1033918086.db2.gz MYPQGICRYLWFPY-HOCLYGCPSA-N 1 1 318.486 3.720 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000553987258 1033918101 /nfs/dbraw/zinc/91/81/01/1033918101.db2.gz MYPQGICRYLWFPY-HOCLYGCPSA-N 1 1 318.486 3.720 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc(F)cc3F)sc2C1 ZINC001173925411 1033957156 /nfs/dbraw/zinc/95/71/56/1033957156.db2.gz QLTDWLRYRJTSOJ-UHFFFAOYSA-N 1 1 305.353 3.629 20 30 DHEDMO C[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCC[C@H]1C#N ZINC000879310290 1033978421 /nfs/dbraw/zinc/97/84/21/1033978421.db2.gz SKNQBQITWQQDKC-VQISRLSMSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCC[C@H]1C#N ZINC000879310290 1033978430 /nfs/dbraw/zinc/97/84/30/1033978430.db2.gz SKNQBQITWQQDKC-VQISRLSMSA-N 1 1 313.228 3.651 20 30 DHEDMO Cc1cccc(N=NC(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000863159813 1034009643 /nfs/dbraw/zinc/00/96/43/1034009643.db2.gz FQKGUKALTOLYJF-SFHVURJKSA-N 1 1 308.429 3.700 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879557304 1034049528 /nfs/dbraw/zinc/04/95/28/1034049528.db2.gz BRCLIWNPWWPXQY-JKSUJKDBSA-N 1 1 300.471 3.673 20 30 DHEDMO COc1ccccc1[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000879727182 1034098767 /nfs/dbraw/zinc/09/87/67/1034098767.db2.gz FEFGSBOGBAINLC-IAGOWNOFSA-N 1 1 311.429 3.708 20 30 DHEDMO CC(C)Oc1cccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000842154020 1034177612 /nfs/dbraw/zinc/17/76/12/1034177612.db2.gz QMVLAEOUPCLYGI-HXUWFJFHSA-N 1 1 324.424 3.511 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880062996 1034198086 /nfs/dbraw/zinc/19/80/86/1034198086.db2.gz TYDGBOVHTBPMRI-JMSVASOKSA-N 1 1 312.335 3.661 20 30 DHEDMO C[C@@H](C#N)OCC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000794565883 1034201301 /nfs/dbraw/zinc/20/13/01/1034201301.db2.gz DOWSLFAWCSARHD-MAUKXSAKSA-N 1 1 324.428 3.532 20 30 DHEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000794565883 1034201307 /nfs/dbraw/zinc/20/13/07/1034201307.db2.gz DOWSLFAWCSARHD-MAUKXSAKSA-N 1 1 324.428 3.532 20 30 DHEDMO CCCCCCCC(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000794571055 1034222786 /nfs/dbraw/zinc/22/27/86/1034222786.db2.gz HPRZWUQCPAIQHO-GOSISDBHSA-N 1 1 318.461 3.552 20 30 DHEDMO N#Cc1cc(Cl)cc(-c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000863979594 1034237659 /nfs/dbraw/zinc/23/76/59/1034237659.db2.gz JZGHGFXQABDVDK-UHFFFAOYSA-N 1 1 312.800 3.711 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)Cc1ccccc1 ZINC000480619386 1034354689 /nfs/dbraw/zinc/35/46/89/1034354689.db2.gz GLCMNYFCRARFKX-HNNXBMFYSA-N 1 1 321.873 3.993 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2Cc3ccccc3N3CCC[C@H]3C2)c1 ZINC000880555485 1034361270 /nfs/dbraw/zinc/36/12/70/1034361270.db2.gz LORUYNNJYKWEBM-IBGZPJMESA-N 1 1 303.409 3.543 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)c1 ZINC000880573834 1034364732 /nfs/dbraw/zinc/36/47/32/1034364732.db2.gz CQCWLGPSTNRFBH-KRWDZBQOSA-N 1 1 316.420 3.726 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)cc1F ZINC000880578125 1034367748 /nfs/dbraw/zinc/36/77/48/1034367748.db2.gz MLWOLXSZAJTPOO-SFHVURJKSA-N 1 1 316.420 3.726 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)c1F ZINC000880576467 1034368545 /nfs/dbraw/zinc/36/85/45/1034368545.db2.gz CLIJXFNCVFWWIP-QGZVFWFLSA-N 1 1 316.420 3.726 20 30 DHEDMO Cc1ccc(C)c(Nc2ccc(C[NH+]3CCOCC3)cc2)c1C#N ZINC001174447763 1034386302 /nfs/dbraw/zinc/38/63/02/1034386302.db2.gz ZFBAPCKJQYFLIC-UHFFFAOYSA-N 1 1 321.424 3.751 20 30 DHEDMO Cc1csc(C[N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)c1 ZINC001137158217 1034418142 /nfs/dbraw/zinc/41/81/42/1034418142.db2.gz IMWCAGFCSKNVEQ-KRWDZBQOSA-N 1 1 312.438 3.972 20 30 DHEDMO C[C@]1(C/N=C/c2cccc(O)c2O)CCC[N@H+]1Cc1ccccc1 ZINC000777400868 1034427621 /nfs/dbraw/zinc/42/76/21/1034427621.db2.gz DXMDPXZREQHTAS-TTYLXTBDSA-N 1 1 324.424 3.571 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)cc1 ZINC000554946811 1034429111 /nfs/dbraw/zinc/42/91/11/1034429111.db2.gz NCZJWXGXEGMBOM-HXUWFJFHSA-N 1 1 304.393 3.528 20 30 DHEDMO CCCCCCCC[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000794742494 1034439082 /nfs/dbraw/zinc/43/90/82/1034439082.db2.gz AYOSLCCSJGOLSY-MRXNPFEDSA-N 1 1 303.512 3.636 20 30 DHEDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000554958876 1034439982 /nfs/dbraw/zinc/43/99/82/1034439982.db2.gz YGBXGSVLPHUYKK-LLVKDONJSA-N 1 1 307.463 3.686 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3coc(C#N)c3)cc2)C1 ZINC000864907835 1034471254 /nfs/dbraw/zinc/47/12/54/1034471254.db2.gz VQTYZPCQKHJYRV-AWEZNQCLSA-N 1 1 323.396 3.635 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC001174593424 1034497569 /nfs/dbraw/zinc/49/75/69/1034497569.db2.gz VBVAHMLSLJEWIC-SJORKVTESA-N 1 1 323.864 3.819 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC001174593424 1034497575 /nfs/dbraw/zinc/49/75/75/1034497575.db2.gz VBVAHMLSLJEWIC-SJORKVTESA-N 1 1 323.864 3.819 20 30 DHEDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000481035122 1034563823 /nfs/dbraw/zinc/56/38/23/1034563823.db2.gz LVZYPUOINRJIAG-HNNXBMFYSA-N 1 1 307.235 3.943 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001174889868 1034642733 /nfs/dbraw/zinc/64/27/33/1034642733.db2.gz AAWLIBMEVGTNPQ-IRXDYDNUSA-N 1 1 322.493 3.922 20 30 DHEDMO C=CC[C@H]1CC[N@H+](C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001174892072 1034665104 /nfs/dbraw/zinc/66/51/04/1034665104.db2.gz ZFXQLONPMNMZCQ-DLBZAZTESA-N 1 1 322.493 3.922 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)C1 ZINC001174891726 1034665483 /nfs/dbraw/zinc/66/54/83/1034665483.db2.gz VNXOLBZGGDKXRP-WMLDXEAASA-N 1 1 320.502 3.850 20 30 DHEDMO COCC#CC[N@H+](Cc1cccc(C(F)(F)F)c1)CC(C)C ZINC001174917274 1034680891 /nfs/dbraw/zinc/68/08/91/1034680891.db2.gz XVOYFSNCRBNFLA-UHFFFAOYSA-N 1 1 313.363 3.813 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000481241772 1034686111 /nfs/dbraw/zinc/68/61/11/1034686111.db2.gz WCGWBJJYTKTPOK-CVEARBPZSA-N 1 1 310.441 3.913 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000481260906 1034696122 /nfs/dbraw/zinc/69/61/22/1034696122.db2.gz SYXMOFRGYSMLTN-LLVKDONJSA-N 1 1 315.244 3.679 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000187694397 1034724940 /nfs/dbraw/zinc/72/49/40/1034724940.db2.gz OWNXFYJLWNTILB-OAHLLOKOSA-N 1 1 309.475 3.829 20 30 DHEDMO CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C)Cc1ccsc1 ZINC000187788116 1034731524 /nfs/dbraw/zinc/73/15/24/1034731524.db2.gz MAAINWZFQDKDIN-KBXCAEBGSA-N 1 1 314.454 3.606 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000188494464 1034744941 /nfs/dbraw/zinc/74/49/41/1034744941.db2.gz OSBHQJFDDHTHQD-IMFGXOCKSA-N 1 1 314.473 3.758 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000191001397 1034757014 /nfs/dbraw/zinc/75/70/14/1034757014.db2.gz PEORXJXCPXLVBM-SFHVURJKSA-N 1 1 315.392 3.538 20 30 DHEDMO C#CC1CC[NH+](Cc2ccc(C)c(Br)c2F)CC1 ZINC001249462101 1034773119 /nfs/dbraw/zinc/77/31/19/1034773119.db2.gz VVEUSDHEALZCGE-UHFFFAOYSA-N 1 1 310.210 3.742 20 30 DHEDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000481376743 1034790655 /nfs/dbraw/zinc/79/06/55/1034790655.db2.gz XERHBAUKLKQOEY-NHYWBVRUSA-N 1 1 307.235 3.941 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)o1 ZINC000600183803 1034793968 /nfs/dbraw/zinc/79/39/68/1034793968.db2.gz MHVGAUDFRKMUQG-CYBMUJFWSA-N 1 1 302.324 3.809 20 30 DHEDMO C#CCCCCCC[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001175196117 1034845177 /nfs/dbraw/zinc/84/51/77/1034845177.db2.gz WAGKRMIGDUXFIY-HOTGVXAUSA-N 1 1 308.466 3.558 20 30 DHEDMO N#CC1(C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000481715631 1034949580 /nfs/dbraw/zinc/94/95/80/1034949580.db2.gz IZAAZQKKHHGGIB-AWEZNQCLSA-N 1 1 323.209 3.933 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)cc1C#N ZINC000481753095 1034965976 /nfs/dbraw/zinc/96/59/76/1034965976.db2.gz FDCUJMAIMUKALF-RISCZKNCSA-N 1 1 312.335 3.730 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000323607439 1035003531 /nfs/dbraw/zinc/00/35/31/1035003531.db2.gz AMJJRWKVSPCEFK-XUVXKRRUSA-N 1 1 312.457 3.772 20 30 DHEDMO C[N@@H+]1CCC=C(Nc2cc(C(F)(F)F)c(C#N)cc2Cl)C1 ZINC001175582264 1035030310 /nfs/dbraw/zinc/03/03/10/1035030310.db2.gz JPUJVVZPIWLEPM-UHFFFAOYSA-N 1 1 315.726 3.862 20 30 DHEDMO C[N@H+]1CCC=C(Nc2cc(C(F)(F)F)c(C#N)cc2Cl)C1 ZINC001175582264 1035030317 /nfs/dbraw/zinc/03/03/17/1035030317.db2.gz JPUJVVZPIWLEPM-UHFFFAOYSA-N 1 1 315.726 3.862 20 30 DHEDMO C[C@H](Cc1ccccc1)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000481986277 1035040711 /nfs/dbraw/zinc/04/07/11/1035040711.db2.gz SDJVTMAOWACLLG-DYESRHJHSA-N 1 1 320.436 3.810 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cc(OC)c(OC)cc1O ZINC000160154308 1035141853 /nfs/dbraw/zinc/14/18/53/1035141853.db2.gz FKIPPYONPCNBGB-UHFFFAOYSA-N 1 1 320.433 3.561 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001176070155 1035190564 /nfs/dbraw/zinc/19/05/64/1035190564.db2.gz NCVSIZOXIVGRPE-JOCHJYFZSA-N 1 1 324.512 3.676 20 30 DHEDMO C#CC[C@@H]1CC[N@@H+](CCCN2CCC(Cc3ccccc3)CC2)C1 ZINC001176070155 1035190569 /nfs/dbraw/zinc/19/05/69/1035190569.db2.gz NCVSIZOXIVGRPE-JOCHJYFZSA-N 1 1 324.512 3.676 20 30 DHEDMO C=C(Br)C[N@@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC001176061636 1035198824 /nfs/dbraw/zinc/19/88/24/1035198824.db2.gz KRTNUFPQEGPCPU-CQSZACIVSA-N 1 1 316.283 3.835 20 30 DHEDMO CC[N@H+](Cc1ccc(C#N)cc1Br)CC1CCC1 ZINC000483137029 1035230019 /nfs/dbraw/zinc/23/00/19/1035230019.db2.gz SYDRXHXFBRRQLD-UHFFFAOYSA-N 1 1 307.235 3.943 20 30 DHEDMO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)Cc2cc(C#N)n(C)c2)cc1 ZINC000483280690 1035250546 /nfs/dbraw/zinc/25/05/46/1035250546.db2.gz PYNWNYJBZCAYEE-VQTJNVASSA-N 1 1 307.441 3.973 20 30 DHEDMO C[N@H+](CCOc1ccccc1C(C)(C)C)C[C@@H](C#N)CCC#N ZINC000483315917 1035252931 /nfs/dbraw/zinc/25/29/31/1035252931.db2.gz LQLFWPWXARGDAB-MRXNPFEDSA-N 1 1 313.445 3.738 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C(C)(C)C)C[C@@H](C#N)CCC#N ZINC000483315917 1035252934 /nfs/dbraw/zinc/25/29/34/1035252934.db2.gz LQLFWPWXARGDAB-MRXNPFEDSA-N 1 1 313.445 3.738 20 30 DHEDMO CCCC1CCC([N@@H+](C)Cc2cnc3ccc(C#N)cn23)CC1 ZINC000483420650 1035266903 /nfs/dbraw/zinc/26/69/03/1035266903.db2.gz LDGWSDJTGAKKBX-UHFFFAOYSA-N 1 1 310.445 3.997 20 30 DHEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483598149 1035281862 /nfs/dbraw/zinc/28/18/62/1035281862.db2.gz FZKOXXJHPZEMJI-GOSISDBHSA-N 1 1 324.399 3.913 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000484062678 1035318165 /nfs/dbraw/zinc/31/81/65/1035318165.db2.gz DEFDNIIUSRXJRO-LJQANCHMSA-N 1 1 315.420 3.552 20 30 DHEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001176771268 1035330456 /nfs/dbraw/zinc/33/04/56/1035330456.db2.gz JKAYQZUGFGZJDK-HOTGVXAUSA-N 1 1 308.466 3.674 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000161439360 1035331392 /nfs/dbraw/zinc/33/13/92/1035331392.db2.gz WSJVGBBGCQLXQQ-HXUWFJFHSA-N 1 1 324.399 3.531 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000161439360 1035331396 /nfs/dbraw/zinc/33/13/96/1035331396.db2.gz WSJVGBBGCQLXQQ-HXUWFJFHSA-N 1 1 324.399 3.531 20 30 DHEDMO C=CCCCC[N@@H+]1CC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001176816050 1035331733 /nfs/dbraw/zinc/33/17/33/1035331733.db2.gz ZTFGBWOIVLVAMT-QAPCUYQASA-N 1 1 308.466 3.722 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)c1 ZINC001176926057 1035336261 /nfs/dbraw/zinc/33/62/61/1035336261.db2.gz GXJFCBXUMXQTES-IAGOWNOFSA-N 1 1 304.821 3.745 20 30 DHEDMO C=C[C@H](CC)Cc1nc(CCCCn2c[nH+]c(C)c2C)no1 ZINC000904102120 1035363242 /nfs/dbraw/zinc/36/32/42/1035363242.db2.gz IDTZXFSOZHTVJC-OAHLLOKOSA-N 1 1 302.422 3.661 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)c1 ZINC000773671806 1035377187 /nfs/dbraw/zinc/37/71/87/1035377187.db2.gz ZIJGREDPIWDFHO-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO C=CCCC[C@H](C(=O)NCc1c[nH+]c2n1CCC2)c1ccccc1 ZINC001177745253 1035390422 /nfs/dbraw/zinc/39/04/22/1035390422.db2.gz MYYFJSXZPWELKE-SFHVURJKSA-N 1 1 323.440 3.586 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(CSc2ccc(F)cc2)no1 ZINC000904517564 1035420701 /nfs/dbraw/zinc/42/07/01/1035420701.db2.gz DRGZQHFDTPRLOR-ZDUSSCGKSA-N 1 1 307.394 3.857 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2ccc3ccccc3n2)no1 ZINC000904550924 1035425768 /nfs/dbraw/zinc/42/57/68/1035425768.db2.gz HUICQZHZAXMKBG-OAHLLOKOSA-N 1 1 308.385 3.565 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H](OC)c2ccccc2Cl)no1 ZINC000904639085 1035438857 /nfs/dbraw/zinc/43/88/57/1035438857.db2.gz HCGRISLCRSBTPB-KBPBESRZSA-N 1 1 321.808 3.815 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccnc(C(F)(F)F)c2)no1 ZINC000904720328 1035444396 /nfs/dbraw/zinc/44/43/96/1035444396.db2.gz ASPWHUQKDXULPT-JTQLQIEISA-N 1 1 312.295 3.507 20 30 DHEDMO C=CCC(C)(C)c1noc([C@H]([NH3+])Cc2c[nH]c3ccccc23)n1 ZINC000904723220 1035444453 /nfs/dbraw/zinc/44/44/53/1035444453.db2.gz ATLFHMMPQMQJLT-CQSZACIVSA-N 1 1 310.401 3.647 20 30 DHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(Cc2cncs2)no1 ZINC000904711380 1035445966 /nfs/dbraw/zinc/44/59/66/1035445966.db2.gz IAKBSDJKYUPJCG-CYBMUJFWSA-N 1 1 308.451 3.867 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(C2(c3cccc(OC)c3)CC2)no1 ZINC000904716236 1035446814 /nfs/dbraw/zinc/44/68/14/1035446814.db2.gz HMUKRBXFTJTDNR-HNNXBMFYSA-N 1 1 313.401 3.514 20 30 DHEDMO C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccc(OCC#N)cn2)c1 ZINC000904752954 1035447872 /nfs/dbraw/zinc/44/78/72/1035447872.db2.gz OIJMRQGVLJBMCR-HNNXBMFYSA-N 1 1 307.397 3.635 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(-n3cccn3)c(C)c2)no1 ZINC000904731490 1035449789 /nfs/dbraw/zinc/44/97/89/1035449789.db2.gz CEYKWEOJZCLUSI-HNNXBMFYSA-N 1 1 323.400 3.587 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(C[C@@]2(C)CC2(Cl)Cl)no1 ZINC000904735752 1035449822 /nfs/dbraw/zinc/44/98/22/1035449822.db2.gz YOXBXMAARGFMQM-CABZTGNLSA-N 1 1 304.221 3.552 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(C[C@]2(C)CC2(Cl)Cl)no1 ZINC000904735753 1035450230 /nfs/dbraw/zinc/45/02/30/1035450230.db2.gz YOXBXMAARGFMQM-JOYOIKCWSA-N 1 1 304.221 3.552 20 30 DHEDMO C=CC[N@H+](C[C@@H](O)COCc1cccs1)CC1CCCCC1 ZINC000485014724 1035458120 /nfs/dbraw/zinc/45/81/20/1035458120.db2.gz FWVSZMIGGICIOI-QGZVFWFLSA-N 1 1 323.502 3.694 20 30 DHEDMO Cc1ccc2[nH]c(NCc3ccc(N(C)CCC#N)cc3)[nH+]c2c1 ZINC001179443790 1035477993 /nfs/dbraw/zinc/47/79/93/1035477993.db2.gz VDEOVAXXPVMGEQ-UHFFFAOYSA-N 1 1 319.412 3.833 20 30 DHEDMO CCCCCCC[C@H](C)NC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001192931397 1035522031 /nfs/dbraw/zinc/52/20/31/1035522031.db2.gz OTTQWDNTLQKYSL-DLBZAZTESA-N 1 1 309.498 3.615 20 30 DHEDMO C#CC[N@H+](Cc1cc(OC)c(O)cc1Cl)C1CCCCC1 ZINC001180031336 1035568330 /nfs/dbraw/zinc/56/83/30/1035568330.db2.gz YOIADUUNIOTGNU-UHFFFAOYSA-N 1 1 307.821 3.822 20 30 DHEDMO COc1ccc(C[C@@H]2CC[N@@H+]2Cc2cccc(F)c2C#N)cc1 ZINC001180117418 1035600120 /nfs/dbraw/zinc/60/01/20/1035600120.db2.gz WQHBZLWLWWZJFU-INIZCTEOSA-N 1 1 310.372 3.523 20 30 DHEDMO COc1ccc(C[C@@H]2CC[N@H+]2Cc2cccc(F)c2C#N)cc1 ZINC001180117418 1035600135 /nfs/dbraw/zinc/60/01/35/1035600135.db2.gz WQHBZLWLWWZJFU-INIZCTEOSA-N 1 1 310.372 3.523 20 30 DHEDMO C=CCC[N@H+](C)CCCN1CCC(Cc2ccccc2)CC1 ZINC001193472016 1035639741 /nfs/dbraw/zinc/63/97/41/1035639741.db2.gz BEKRTFFOQXOUBZ-UHFFFAOYSA-N 1 1 300.490 3.839 20 30 DHEDMO C=CCC[N@@H+](C)CCCN1CCC(Cc2ccccc2)CC1 ZINC001193472016 1035639752 /nfs/dbraw/zinc/63/97/52/1035639752.db2.gz BEKRTFFOQXOUBZ-UHFFFAOYSA-N 1 1 300.490 3.839 20 30 DHEDMO CN(C)c1cccc(C[N@@H+](C)CCCOc2cccc(C#N)c2)c1 ZINC000535552986 1035686795 /nfs/dbraw/zinc/68/67/95/1035686795.db2.gz HOVDRBYZAOEGMH-UHFFFAOYSA-N 1 1 323.440 3.525 20 30 DHEDMO CCC1(CC)CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000491247970 1035687808 /nfs/dbraw/zinc/68/78/08/1035687808.db2.gz HOVNZXRLRJOECG-UHFFFAOYSA-N 1 1 322.456 3.971 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000192026045 1035749666 /nfs/dbraw/zinc/74/96/66/1035749666.db2.gz JYPQKXROMJZXAB-PZJWPPBQSA-N 1 1 310.485 3.625 20 30 DHEDMO C=CC[N@@H+](C)Cc1cc(OC)c(OC[C@H](C)CC)cc1[N+](=O)[O-] ZINC000494657809 1035762675 /nfs/dbraw/zinc/76/26/75/1035762675.db2.gz VJHIVXXPGYQCGJ-CYBMUJFWSA-N 1 1 322.405 3.646 20 30 DHEDMO C=CC[N@H+](C)Cc1cc(OC)c(OC[C@H](C)CC)cc1[N+](=O)[O-] ZINC000494657809 1035762681 /nfs/dbraw/zinc/76/26/81/1035762681.db2.gz VJHIVXXPGYQCGJ-CYBMUJFWSA-N 1 1 322.405 3.646 20 30 DHEDMO COCC[N@@H+](Cc1c(C)cc(C#N)cc1C)[C@@H]1CC[C@H](C)C1 ZINC001193977806 1035783122 /nfs/dbraw/zinc/78/31/22/1035783122.db2.gz WTVBYZYQCCUCLC-KBXCAEBGSA-N 1 1 300.446 3.812 20 30 DHEDMO Cc1ccccc1[C@H]([C@@H](C)NCC#Cc1ccccc1)[NH+](C)C ZINC001180943705 1035792663 /nfs/dbraw/zinc/79/26/63/1035792663.db2.gz PWOKJTSUKRNNTO-NQIIRXRSSA-N 1 1 306.453 3.628 20 30 DHEDMO C[C@H]([NH2+]CCN1[C@H](C)CCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000539608796 1035795481 /nfs/dbraw/zinc/79/54/81/1035795481.db2.gz GOVLOXWUQUVQHS-KFWWJZLASA-N 1 1 303.425 3.611 20 30 DHEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000193303329 1035859750 /nfs/dbraw/zinc/85/97/50/1035859750.db2.gz HBMAWRYNWNDVIS-UHFFFAOYSA-N 1 1 318.436 3.720 20 30 DHEDMO C=CCOC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001194318776 1035900111 /nfs/dbraw/zinc/90/01/11/1035900111.db2.gz MVWAXENPBYVQPQ-UHFFFAOYSA-N 1 1 308.381 3.937 20 30 DHEDMO C=CCOC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001194318776 1035900130 /nfs/dbraw/zinc/90/01/30/1035900130.db2.gz MVWAXENPBYVQPQ-UHFFFAOYSA-N 1 1 308.381 3.937 20 30 DHEDMO C=CCc1cc(C[N@H+]2CC[C@H](c3cccnc3)C2)cc(OC)c1O ZINC000569122088 1035900860 /nfs/dbraw/zinc/90/08/60/1035900860.db2.gz CSHNHIMDFYHLKD-SFHVURJKSA-N 1 1 324.424 3.514 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001194392792 1035919627 /nfs/dbraw/zinc/91/96/27/1035919627.db2.gz CNEWDZBYPPJZRL-IAGOWNOFSA-N 1 1 322.493 3.922 20 30 DHEDMO CCCCCCCCOC(=O)NC1CC[NH+](CCF)CC1 ZINC001194752112 1036005595 /nfs/dbraw/zinc/00/55/95/1036005595.db2.gz DIBBQGIMZOCUGP-UHFFFAOYSA-N 1 1 302.434 3.507 20 30 DHEDMO CCCCC[N@@H+](C)CCC(=O)Nc1ccc([C@H](C)C#N)cc1 ZINC001181864999 1036020222 /nfs/dbraw/zinc/02/02/22/1036020222.db2.gz NUOPOVUQNGMFPM-OAHLLOKOSA-N 1 1 301.434 3.764 20 30 DHEDMO C=CCC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000494829962 1036074445 /nfs/dbraw/zinc/07/44/45/1036074445.db2.gz RIGIZZZWDSUHPY-PKOBYXMFSA-N 1 1 314.473 3.585 20 30 DHEDMO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2F)cc1[N+](=O)[O-] ZINC000540476221 1036076397 /nfs/dbraw/zinc/07/63/97/1036076397.db2.gz ZXTGSJWUDHCEGG-LBPRGKRZSA-N 1 1 313.332 3.765 20 30 DHEDMO C[C@H](CCc1ccccc1)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761757244 1036085416 /nfs/dbraw/zinc/08/54/16/1036085416.db2.gz QGHCJFJXNCAZQH-DYESRHJHSA-N 1 1 320.436 3.953 20 30 DHEDMO C#CC[N@H+](Cc1cccc(NC(C)=O)c1)[C@H]1CCc2ccccc21 ZINC000101544851 1036096220 /nfs/dbraw/zinc/09/62/20/1036096220.db2.gz CBQCEXMRYUHGHA-NRFANRHFSA-N 1 1 318.420 3.768 20 30 DHEDMO CC(C)(C#N)CC[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000540663768 1036128230 /nfs/dbraw/zinc/12/82/30/1036128230.db2.gz BSRZUFRZCJSJDJ-GOSISDBHSA-N 1 1 321.424 3.896 20 30 DHEDMO CCC(CC)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)N(C)C ZINC000540709732 1036140594 /nfs/dbraw/zinc/14/05/94/1036140594.db2.gz KFMODCMOXZKZOT-UGSOOPFHSA-N 1 1 305.441 3.714 20 30 DHEDMO C#CCCCCCC[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001195333738 1036236034 /nfs/dbraw/zinc/23/60/34/1036236034.db2.gz KGBGBVLSBQDBFS-RTWAWAEBSA-N 1 1 310.485 3.776 20 30 DHEDMO C#CCCCCCCN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001195333738 1036236050 /nfs/dbraw/zinc/23/60/50/1036236050.db2.gz KGBGBVLSBQDBFS-RTWAWAEBSA-N 1 1 310.485 3.776 20 30 DHEDMO C#CCCCCCCN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001195333738 1036236070 /nfs/dbraw/zinc/23/60/70/1036236070.db2.gz KGBGBVLSBQDBFS-RTWAWAEBSA-N 1 1 310.485 3.776 20 30 DHEDMO CC[C@H](C/N=C/c1ccccc1O)[N@H+]1CCc2ccccc2C1 ZINC000914701124 1036250236 /nfs/dbraw/zinc/25/02/36/1036250236.db2.gz AGGSUEQTGXHWPR-DBRLUCFCSA-N 1 1 308.425 3.648 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC001195463891 1036252959 /nfs/dbraw/zinc/25/29/59/1036252959.db2.gz OXBIYYMFBPVZRK-QGZVFWFLSA-N 1 1 320.436 3.904 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001195464482 1036254179 /nfs/dbraw/zinc/25/41/79/1036254179.db2.gz VNAUSSPIWYXIIB-WBMJQRKESA-N 1 1 312.240 3.762 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)c1ccc(F)cc1Cl ZINC000775657091 1036258079 /nfs/dbraw/zinc/25/80/79/1036258079.db2.gz GDNYZMFEVXGQFL-QGZVFWFLSA-N 1 1 323.795 3.836 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c(OC(F)F)c1 ZINC001195507751 1036277275 /nfs/dbraw/zinc/27/72/75/1036277275.db2.gz ARRVKLQFYKTQSY-ZFWWWQNUSA-N 1 1 306.356 3.924 20 30 DHEDMO N#Cc1c(F)cccc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000213457196 1036311491 /nfs/dbraw/zinc/31/14/91/1036311491.db2.gz HLFHQJFLDDFPFC-YVMONPNESA-N 1 1 321.399 3.533 20 30 DHEDMO C[C@H](CC#N)NC[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001195658832 1036314258 /nfs/dbraw/zinc/31/42/58/1036314258.db2.gz DYRRSAXISMKJEC-WIYYLYMNSA-N 1 1 321.468 3.794 20 30 DHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000495186146 1036324402 /nfs/dbraw/zinc/32/44/02/1036324402.db2.gz CYROFKPXVNSUIZ-LSDHHAIUSA-N 1 1 323.481 3.551 20 30 DHEDMO C#CCOc1ccccc1CN[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925418227 1036325273 /nfs/dbraw/zinc/32/52/73/1036325273.db2.gz RYMWYBFINAFCNT-QGZVFWFLSA-N 1 1 322.452 3.611 20 30 DHEDMO C#CC[C@H]([NH2+][C@H](C)c1nc2ccccc2n1C)c1ccccc1 ZINC000774464537 1036345336 /nfs/dbraw/zinc/34/53/36/1036345336.db2.gz XOVCRFGCGWGWGF-WBVHZDCISA-N 1 1 303.409 3.989 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000102175080 1036365117 /nfs/dbraw/zinc/36/51/17/1036365117.db2.gz IHQUNYSVPICNNX-UHFFFAOYSA-N 1 1 320.371 3.650 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000102175080 1036365132 /nfs/dbraw/zinc/36/51/32/1036365132.db2.gz IHQUNYSVPICNNX-UHFFFAOYSA-N 1 1 320.371 3.650 20 30 DHEDMO Cc1ccc(-c2noc([C@H](C)[NH2+]CCC(C)(C)C#N)n2)cc1F ZINC000541684008 1036405675 /nfs/dbraw/zinc/40/56/75/1036405675.db2.gz DTROSVXBPVXNMM-LBPRGKRZSA-N 1 1 316.380 3.775 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001196321786 1036499742 /nfs/dbraw/zinc/49/97/42/1036499742.db2.gz DGCTYPSFJOGVAT-GASCZTMLSA-N 1 1 324.346 3.827 20 30 DHEDMO C=CC[N@@H+](CCC(=O)c1ccc(F)cc1)CCc1ccco1 ZINC000491331762 1036502014 /nfs/dbraw/zinc/50/20/14/1036502014.db2.gz ZNZITHJFEZFYSV-UHFFFAOYSA-N 1 1 301.361 3.722 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001183065941 1036516872 /nfs/dbraw/zinc/51/68/72/1036516872.db2.gz SMHXPZSYYGSZNQ-GVDBMIGSSA-N 1 1 322.493 3.920 20 30 DHEDMO COc1ccc(OC)c(C[N@H+](Cc2cccc(C#N)c2)C2CC2)c1 ZINC000027604038 1036543822 /nfs/dbraw/zinc/54/38/22/1036543822.db2.gz UZFBTRVCMCOQJT-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO COc1ccc(OC)c(C[N@@H+](Cc2cccc(C#N)c2)C2CC2)c1 ZINC000027604038 1036543832 /nfs/dbraw/zinc/54/38/32/1036543832.db2.gz UZFBTRVCMCOQJT-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO CC[N@@H+](CCNc1cc(Cl)ccc1C#N)CCC(F)(F)F ZINC000491582690 1036607387 /nfs/dbraw/zinc/60/73/87/1036607387.db2.gz BANJHHZZPXCQAW-UHFFFAOYSA-N 1 1 319.758 3.898 20 30 DHEDMO CC(C)(C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000775744656 1036630833 /nfs/dbraw/zinc/63/08/33/1036630833.db2.gz OVZKLQPMNGKXRL-FQEVSTJZSA-N 1 1 320.436 3.909 20 30 DHEDMO C#CC[N@H+](CC)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000491813561 1036650719 /nfs/dbraw/zinc/65/07/19/1036650719.db2.gz QQIOBMMVSYRTCK-UHFFFAOYSA-N 1 1 308.429 3.515 20 30 DHEDMO CCCCCCCC[C@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001273739209 1036708628 /nfs/dbraw/zinc/70/86/28/1036708628.db2.gz ZQUMIMCWERWPFE-WNRNVDISSA-N 1 1 306.494 3.678 20 30 DHEDMO Cc1cc(F)c(C[NH2+]C2CC(C#N)(c3ccccc3)C2)c(F)c1 ZINC001183958643 1036717027 /nfs/dbraw/zinc/71/70/27/1036717027.db2.gz KPVLDZAPWGVXQU-UHFFFAOYSA-N 1 1 312.363 3.987 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001197327138 1036758086 /nfs/dbraw/zinc/75/80/86/1036758086.db2.gz ZDGLCOCRVDPFTF-PMACEKPBSA-N 1 1 317.436 3.638 20 30 DHEDMO C=C(C)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000495612811 1036769698 /nfs/dbraw/zinc/76/96/98/1036769698.db2.gz NWDXZWDRCZHNAU-XYPWUTKMSA-N 1 1 308.466 3.815 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]Cc1oc(CCC)nc1C ZINC000492192453 1036783470 /nfs/dbraw/zinc/78/34/70/1036783470.db2.gz GRMLKHCJGGMIML-UHFFFAOYSA-N 1 1 300.402 3.790 20 30 DHEDMO N#Cc1cccc(C[NH2+]Cc2ccccc2SC(F)(F)F)n1 ZINC001184238581 1036785249 /nfs/dbraw/zinc/78/52/49/1036785249.db2.gz DDSRMKPHYPUXBA-UHFFFAOYSA-N 1 1 323.343 3.855 20 30 DHEDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000495655479 1036815434 /nfs/dbraw/zinc/81/54/34/1036815434.db2.gz HCUGTEYLLHWWGG-SFHVURJKSA-N 1 1 323.481 3.553 20 30 DHEDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000495655477 1036816272 /nfs/dbraw/zinc/81/62/72/1036816272.db2.gz HCUGTEYLLHWWGG-GOSISDBHSA-N 1 1 323.481 3.553 20 30 DHEDMO C=CCCn1cc(C[N@@H+]2CC(C)(C)C[C@H]2c2ccccc2)nn1 ZINC000653769327 1036917968 /nfs/dbraw/zinc/91/79/68/1036917968.db2.gz DOLQFYKGLKJXSK-SFHVURJKSA-N 1 1 310.445 3.827 20 30 DHEDMO C=CCCn1cc(C[N@H+]2CC(C)(C)C[C@H]2c2ccccc2)nn1 ZINC000653769327 1036917992 /nfs/dbraw/zinc/91/79/92/1036917992.db2.gz DOLQFYKGLKJXSK-SFHVURJKSA-N 1 1 310.445 3.827 20 30 DHEDMO Cc1cc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)ccc1C#N ZINC000488434088 1037017700 /nfs/dbraw/zinc/01/77/00/1037017700.db2.gz IYAOCXJQTMOIRF-KRWDZBQOSA-N 1 1 322.412 3.507 20 30 DHEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000492844691 1037031861 /nfs/dbraw/zinc/03/18/61/1037031861.db2.gz DRYSKRDCHPTFCW-IAQYHMDHSA-N 1 1 307.235 3.941 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000488490479 1037049547 /nfs/dbraw/zinc/04/95/47/1037049547.db2.gz HVLNEEVTRZRKDB-UHFFFAOYSA-N 1 1 321.471 3.708 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000488490479 1037049564 /nfs/dbraw/zinc/04/95/64/1037049564.db2.gz HVLNEEVTRZRKDB-UHFFFAOYSA-N 1 1 321.471 3.708 20 30 DHEDMO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000488531262 1037059464 /nfs/dbraw/zinc/05/94/64/1037059464.db2.gz UEYVKTRSEFXLGP-LBPRGKRZSA-N 1 1 303.431 3.521 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000488531262 1037059487 /nfs/dbraw/zinc/05/94/87/1037059487.db2.gz UEYVKTRSEFXLGP-LBPRGKRZSA-N 1 1 303.431 3.521 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)cc1 ZINC000780400250 1037120952 /nfs/dbraw/zinc/12/09/52/1037120952.db2.gz UNKCKSNWJXNQSU-LUUCIGQJSA-N 1 1 318.420 3.769 20 30 DHEDMO Cc1cc(C#N)cc(C)c1CNCCC[N@H+](C)C1CCCCC1 ZINC001198908337 1037167971 /nfs/dbraw/zinc/16/79/71/1037167971.db2.gz QBUYNMYPSYTMHV-UHFFFAOYSA-N 1 1 313.489 3.919 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CNCc1cc(F)cc(F)c1)C(C)C ZINC001199198180 1037213862 /nfs/dbraw/zinc/21/38/62/1037213862.db2.gz NAHJYAFXVAFQAW-SFHVURJKSA-N 1 1 308.416 3.753 20 30 DHEDMO N#CC1(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000775971740 1037272968 /nfs/dbraw/zinc/27/29/68/1037272968.db2.gz FBLWYQRVFBOZIP-LSDHHAIUSA-N 1 1 304.459 3.720 20 30 DHEDMO CC1(C)CC(N=Nc2ccnc(F)c2)C[N@H+]1Cc1ccccc1 ZINC000781125361 1037281565 /nfs/dbraw/zinc/28/15/65/1037281565.db2.gz XMZJHUJOAGNZHV-UHFFFAOYSA-N 1 1 312.392 3.673 20 30 DHEDMO C=CCN1CCC([NH2+][C@H](C)c2ccccc2Br)CC1 ZINC000177906480 1037282089 /nfs/dbraw/zinc/28/20/89/1037282089.db2.gz MLJSJLVBXQGGDC-CYBMUJFWSA-N 1 1 323.278 3.750 20 30 DHEDMO N#CC1(CCCC[N@H+](CCO)[C@H]2CCc3ccccc32)CCC1 ZINC000929798589 1037397689 /nfs/dbraw/zinc/39/76/89/1037397689.db2.gz KUNMZHQEIUGHMO-IBGZPJMESA-N 1 1 312.457 3.832 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000489440074 1037434420 /nfs/dbraw/zinc/43/44/20/1037434420.db2.gz ORFUWJMADDOITC-HKUYNNGSSA-N 1 1 312.457 3.611 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000489476250 1037453111 /nfs/dbraw/zinc/45/31/11/1037453111.db2.gz NBVCRSHHVJFYDB-IBGZPJMESA-N 1 1 312.457 3.853 20 30 DHEDMO Cc1ccc(C2=CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000763231533 1037518385 /nfs/dbraw/zinc/51/83/85/1037518385.db2.gz CFIORWRKZRVVNZ-OAQYLSRUSA-N 1 1 318.420 3.689 20 30 DHEDMO Cc1ccc(C2=CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000763231530 1037519119 /nfs/dbraw/zinc/51/91/19/1037519119.db2.gz CFIORWRKZRVVNZ-NRFANRHFSA-N 1 1 318.420 3.689 20 30 DHEDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763242315 1037525982 /nfs/dbraw/zinc/52/59/82/1037525982.db2.gz UONPVCGRNMPPPW-LEWJYISDSA-N 1 1 320.436 3.847 20 30 DHEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000490004912 1037575458 /nfs/dbraw/zinc/57/54/58/1037575458.db2.gz JFVRXYNSGIBIFN-IBGZPJMESA-N 1 1 321.424 3.514 20 30 DHEDMO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](CC1CCCCC1)CC2 ZINC001201394170 1037627522 /nfs/dbraw/zinc/62/75/22/1037627522.db2.gz RDLBIDLHTZFSOO-LJQANCHMSA-N 1 1 304.478 3.600 20 30 DHEDMO Cc1[nH+]c(C=NNc2cccc3ncccc32)c2ccccn12 ZINC000915964644 1037634297 /nfs/dbraw/zinc/63/42/97/1037634297.db2.gz HKLNTYDSWNRDNZ-UHFFFAOYSA-N 1 1 301.353 3.637 20 30 DHEDMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1cccc2[nH]ccc21 ZINC000494103836 1037644960 /nfs/dbraw/zinc/64/49/60/1037644960.db2.gz AKMJWJBEZHDHJZ-UHFFFAOYSA-N 1 1 305.381 3.550 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1CCCCC1)[C@H]2CC ZINC001201388964 1037647254 /nfs/dbraw/zinc/64/72/54/1037647254.db2.gz GXKVZNOJRCSQBR-ICSRJNTNSA-N 1 1 318.505 3.988 20 30 DHEDMO C#CC1CC[NH+](C/C(Br)=C/c2ccccc2)CC1 ZINC001201463524 1037686793 /nfs/dbraw/zinc/68/67/93/1037686793.db2.gz FZHDGJSTBMTISC-VBKFSLOCSA-N 1 1 304.231 3.768 20 30 DHEDMO Cc1noc(N=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1C#N ZINC001201470018 1037689590 /nfs/dbraw/zinc/68/95/90/1037689590.db2.gz JAKYBYAOQGWYHG-SJORKVTESA-N 1 1 320.396 3.587 20 30 DHEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@H](CCO)c1ccccc1 ZINC000153884145 1037696712 /nfs/dbraw/zinc/69/67/12/1037696712.db2.gz ZVWAVGYHZRWIIK-LJQANCHMSA-N 1 1 313.828 3.747 20 30 DHEDMO CC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccc(-n2ccnc2)cc1 ZINC000916245083 1037722220 /nfs/dbraw/zinc/72/22/20/1037722220.db2.gz TVAWIUJCHULGEC-UHFFFAOYSA-N 1 1 321.340 3.617 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000490522827 1037728100 /nfs/dbraw/zinc/72/81/00/1037728100.db2.gz VYFWKPHWVCFRNS-XLIONFOSSA-N 1 1 314.473 3.760 20 30 DHEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490594219 1037747735 /nfs/dbraw/zinc/74/77/35/1037747735.db2.gz YCZXFHGOGXGNRD-KDOFPFPSSA-N 1 1 308.429 3.579 20 30 DHEDMO C=CC[N@H+](Cc1cc(-c2cnn(C)c2)no1)CC1CCCCC1 ZINC000185003397 1037769509 /nfs/dbraw/zinc/76/95/09/1037769509.db2.gz GGFMTPNXIRCPAO-UHFFFAOYSA-N 1 1 314.433 3.643 20 30 DHEDMO C[N@@H+](CCCNc1ccc([N+](=O)[O-])cc1C#N)C1CCCCC1 ZINC000029526813 1037778873 /nfs/dbraw/zinc/77/88/73/1037778873.db2.gz NZNQEAUTYLYCES-UHFFFAOYSA-N 1 1 316.405 3.533 20 30 DHEDMO CCCCCCCCCCC[N@H+]1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001201630922 1037799979 /nfs/dbraw/zinc/79/99/79/1037799979.db2.gz HWZDPAVBSPKVGF-IPMKNSEASA-N 1 1 311.510 3.989 20 30 DHEDMO N#Cc1cccc(O[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC001201606216 1037804257 /nfs/dbraw/zinc/80/42/57/1037804257.db2.gz PRMYCECIVFSDOP-HXUWFJFHSA-N 1 1 306.409 3.644 20 30 DHEDMO C#CC[N@@H+](CC1CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000763411203 1037828926 /nfs/dbraw/zinc/82/89/26/1037828926.db2.gz RJYFSJBWCSBBNJ-HNNXBMFYSA-N 1 1 320.230 3.618 20 30 DHEDMO CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC001201762277 1037885077 /nfs/dbraw/zinc/88/50/77/1037885077.db2.gz DCEDMMXJWDUUTC-KDURUIRLSA-N 1 1 314.473 3.661 20 30 DHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](CCCCCCC)C2 ZINC001201762786 1037885695 /nfs/dbraw/zinc/88/56/95/1037885695.db2.gz VEUMURFYKUNLAF-LJQANCHMSA-N 1 1 306.494 3.990 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001201762858 1037886359 /nfs/dbraw/zinc/88/63/59/1037886359.db2.gz XTVNDTPNONRCSK-MOPGFXCFSA-N 1 1 301.478 3.701 20 30 DHEDMO N#Cc1ccccc1N1CCC[N@@H+](C/C=C\c2ccccc2)CC1 ZINC000491078261 1037895160 /nfs/dbraw/zinc/89/51/60/1037895160.db2.gz VGRZFGICBRWRLT-POHAHGRESA-N 1 1 317.436 3.784 20 30 DHEDMO CCCCCCC[N@H+]1CCc2ccc(=O)n(CC3CC3)c2CC1 ZINC001201776780 1037904539 /nfs/dbraw/zinc/90/45/39/1037904539.db2.gz LDQVHLCGGUOALO-UHFFFAOYSA-N 1 1 316.489 3.629 20 30 DHEDMO CCCCCCCCCC[N@@H+]1Cc2nnn(C)c2[C@@H](COC)C1 ZINC001201852882 1037908148 /nfs/dbraw/zinc/90/81/48/1037908148.db2.gz QLXHFBCEVHXSCD-MRXNPFEDSA-N 1 1 322.497 3.501 20 30 DHEDMO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1CCCCCCCC ZINC001201826350 1037911505 /nfs/dbraw/zinc/91/15/05/1037911505.db2.gz SPXRYCGCAKGGLH-SFHVURJKSA-N 1 1 319.493 3.882 20 30 DHEDMO CCCCCCCCN1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001201826131 1037912606 /nfs/dbraw/zinc/91/26/06/1037912606.db2.gz NRCSHLZVYDXZIL-IBGZPJMESA-N 1 1 310.526 3.922 20 30 DHEDMO CCCCCCCCCCS(=O)(=O)Nc1c[nH+]c(C)n1C ZINC001201834677 1037915475 /nfs/dbraw/zinc/91/54/75/1037915475.db2.gz SHBWQJSIIXGXRC-UHFFFAOYSA-N 1 1 315.483 3.611 20 30 DHEDMO CCCCCCCCCC[N@H+]1Cc2ccnn2CC[C@@H]1CO ZINC001201875131 1037923341 /nfs/dbraw/zinc/92/33/41/1037923341.db2.gz QGZWRDDLZNJMQM-GOSISDBHSA-N 1 1 307.482 3.590 20 30 DHEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000156467558 1038122835 /nfs/dbraw/zinc/12/28/35/1038122835.db2.gz QSDPGJYRKHSYNM-BSIFCXSSSA-N 1 1 320.436 3.778 20 30 DHEDMO C=CC[N@H+](Cc1cc2c(cc1Br)OCO2)C(C)C ZINC000917071278 1038170168 /nfs/dbraw/zinc/17/01/68/1038170168.db2.gz QEISOTBRFHAKGH-UHFFFAOYSA-N 1 1 312.207 3.574 20 30 DHEDMO C=CC[N@@H+](Cc1cc2c(cc1Br)OCO2)C(C)C ZINC000917071278 1038170177 /nfs/dbraw/zinc/17/01/77/1038170177.db2.gz QEISOTBRFHAKGH-UHFFFAOYSA-N 1 1 312.207 3.574 20 30 DHEDMO C#CCCCCCC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001190317282 1038291628 /nfs/dbraw/zinc/29/16/28/1038291628.db2.gz CWTREKYALFRAHY-UHFFFAOYSA-N 1 1 307.441 3.814 20 30 DHEDMO CC(C)c1nnc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000775394320 1038338766 /nfs/dbraw/zinc/33/87/66/1038338766.db2.gz FCTXOLXRXQJKKZ-HNNXBMFYSA-N 1 1 312.442 3.700 20 30 DHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCC[C@@H]1O ZINC001190616675 1038345421 /nfs/dbraw/zinc/34/54/21/1038345421.db2.gz PUKLDRSBOWUQOC-OALUTQOASA-N 1 1 300.446 3.567 20 30 DHEDMO C#CC[C@@H]([NH2+]Cc1ccn(-c2cccc(F)c2)n1)c1ccccc1 ZINC000775398711 1038354024 /nfs/dbraw/zinc/35/40/24/1038354024.db2.gz LCTSYDVPZXDGPC-HXUWFJFHSA-N 1 1 319.383 3.866 20 30 DHEDMO C#CC[N@H+](CCc1ccc(F)c(F)c1)Cc1ccc(F)cc1 ZINC001190707361 1038367788 /nfs/dbraw/zinc/36/77/88/1038367788.db2.gz HHRFBOVMUUVUBA-UHFFFAOYSA-N 1 1 303.327 3.782 20 30 DHEDMO C[C@@H](c1cccc(F)c1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000056284501 1038412313 /nfs/dbraw/zinc/41/23/13/1038412313.db2.gz DYZAPRDCJUDIMM-INIZCTEOSA-N 1 1 323.415 3.971 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)c(Br)c1 ZINC000588978363 1038414543 /nfs/dbraw/zinc/41/45/43/1038414543.db2.gz WGQPBVDESLZVTA-CQSZACIVSA-N 1 1 319.246 3.943 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(Cl)s1 ZINC000588980860 1038414940 /nfs/dbraw/zinc/41/49/40/1038414940.db2.gz XGPFLILXMJNZOF-UHFFFAOYSA-N 1 1 320.845 3.922 20 30 DHEDMO CCCCCCCCNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001191076793 1038432899 /nfs/dbraw/zinc/43/28/99/1038432899.db2.gz LYLWHYJVVZCLLR-MRXNPFEDSA-N 1 1 309.498 3.663 20 30 DHEDMO Cc1cc(C[N@H+](Cc2ccc(O)cc2)CC2CC2)ccc1C#N ZINC000589196000 1038447433 /nfs/dbraw/zinc/44/74/33/1038447433.db2.gz AMPVFHAJOUDECU-UHFFFAOYSA-N 1 1 306.409 3.985 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)c(F)c1 ZINC000589312453 1038462738 /nfs/dbraw/zinc/46/27/38/1038462738.db2.gz KBBXTJFQGNEASD-UHFFFAOYSA-N 1 1 324.277 3.712 20 30 DHEDMO CCO[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000589494365 1038485948 /nfs/dbraw/zinc/48/59/48/1038485948.db2.gz LXUJUIOHLLLSPF-AWEZNQCLSA-N 1 1 312.335 3.578 20 30 DHEDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000589494365 1038485951 /nfs/dbraw/zinc/48/59/51/1038485951.db2.gz LXUJUIOHLLLSPF-AWEZNQCLSA-N 1 1 312.335 3.578 20 30 DHEDMO COc1cccc(C[N@@H+](Cc2nc(C#N)cs2)CC(C)C)c1 ZINC000589495807 1038486708 /nfs/dbraw/zinc/48/67/08/1038486708.db2.gz PSHHZQYBAIOQGZ-UHFFFAOYSA-N 1 1 315.442 3.682 20 30 DHEDMO COc1cccc(C[N@H+](Cc2nc(C#N)cs2)CC(C)C)c1 ZINC000589495807 1038486711 /nfs/dbraw/zinc/48/67/11/1038486711.db2.gz PSHHZQYBAIOQGZ-UHFFFAOYSA-N 1 1 315.442 3.682 20 30 DHEDMO COCCC[N@@H+](C)CCOc1ccc(-c2ccccc2C#N)cc1 ZINC000589962929 1038557949 /nfs/dbraw/zinc/55/79/49/1038557949.db2.gz IFBBDQCFHBJVSI-UHFFFAOYSA-N 1 1 324.424 3.572 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000589984571 1038565243 /nfs/dbraw/zinc/56/52/43/1038565243.db2.gz DLKAWUIIFKQCQF-IBGZPJMESA-N 1 1 310.372 3.661 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000589984571 1038565253 /nfs/dbraw/zinc/56/52/53/1038565253.db2.gz DLKAWUIIFKQCQF-IBGZPJMESA-N 1 1 310.372 3.661 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000589984574 1038566533 /nfs/dbraw/zinc/56/65/33/1038566533.db2.gz DLKAWUIIFKQCQF-LJQANCHMSA-N 1 1 310.372 3.661 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000589984574 1038566546 /nfs/dbraw/zinc/56/65/46/1038566546.db2.gz DLKAWUIIFKQCQF-LJQANCHMSA-N 1 1 310.372 3.661 20 30 DHEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000775523131 1038630419 /nfs/dbraw/zinc/63/04/19/1038630419.db2.gz GZQFUHKTOONVQP-CYBMUJFWSA-N 1 1 300.789 3.598 20 30 DHEDMO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cc(C#N)ccn1 ZINC001192584361 1038680927 /nfs/dbraw/zinc/68/09/27/1038680927.db2.gz HJMDUNVWTWZMDK-GOSISDBHSA-N 1 1 309.413 3.839 20 30 DHEDMO C#CCC[N@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000760826452 1038861782 /nfs/dbraw/zinc/86/17/82/1038861782.db2.gz FSKLWXGRUAHRFW-CQSZACIVSA-N 1 1 308.219 3.618 20 30 DHEDMO C#CCC[N@@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000760826452 1038861806 /nfs/dbraw/zinc/86/18/06/1038861806.db2.gz FSKLWXGRUAHRFW-CQSZACIVSA-N 1 1 308.219 3.618 20 30 DHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000591471335 1038880774 /nfs/dbraw/zinc/88/07/74/1038880774.db2.gz AKFBWIFEIIHLJX-HKUYNNGSSA-N 1 1 317.473 3.665 20 30 DHEDMO N#CCCN1CC[NH+](Cc2ccc(Cl)c3ccccc23)CC1 ZINC000591473327 1038898100 /nfs/dbraw/zinc/89/81/00/1038898100.db2.gz GEOIOVNWUSGKCZ-UHFFFAOYSA-N 1 1 313.832 3.524 20 30 DHEDMO CC(C)(C)c1cc[nH+]c(N2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000603373038 1038944963 /nfs/dbraw/zinc/94/49/63/1038944963.db2.gz YIMRDOXCEJCATF-UHFFFAOYSA-N 1 1 320.440 3.836 20 30 DHEDMO Cc1[nH]c2nc[nH+]c(N(C)[C@H](C)c3cccc(C#N)c3)c2c1C ZINC000591954357 1039051545 /nfs/dbraw/zinc/05/15/45/1039051545.db2.gz PBSDSZJWGQEJGX-CYBMUJFWSA-N 1 1 305.385 3.644 20 30 DHEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592071329 1039116122 /nfs/dbraw/zinc/11/61/22/1039116122.db2.gz GICDSKJKSATLEE-HXUWFJFHSA-N 1 1 305.425 3.798 20 30 DHEDMO C[N@H+](Cc1ccncc1C#N)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000592066280 1039116664 /nfs/dbraw/zinc/11/66/64/1039116664.db2.gz ODQSTIKZDRXLSF-QUCCMNQESA-N 1 1 321.424 3.553 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)nc1 ZINC000599516291 1039189925 /nfs/dbraw/zinc/18/99/25/1039189925.db2.gz PWOFKADROQAFAB-HNNXBMFYSA-N 1 1 313.351 3.611 20 30 DHEDMO Cc1ccc(C[N@@H+](C[C@H](O)CC(C)(C)C#N)C(C)(C)C)cc1 ZINC000599527861 1039197082 /nfs/dbraw/zinc/19/70/82/1039197082.db2.gz VYFIHFJFHJOSFC-QGZVFWFLSA-N 1 1 302.462 3.896 20 30 DHEDMO Cc1ccccc1OCCC[N@H+](C)CCOc1cccc(C#N)c1 ZINC000603869888 1039203660 /nfs/dbraw/zinc/20/36/60/1039203660.db2.gz WVWFJGSLSULYBC-UHFFFAOYSA-N 1 1 324.424 3.646 20 30 DHEDMO Cc1ccccc1OCCC[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000603869837 1039203830 /nfs/dbraw/zinc/20/38/30/1039203830.db2.gz PMAIVCGYNAIKQL-UHFFFAOYSA-N 1 1 324.424 3.646 20 30 DHEDMO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000592523079 1039222732 /nfs/dbraw/zinc/22/27/32/1039222732.db2.gz VMNZEOZLZQVICB-IBGZPJMESA-N 1 1 324.449 3.688 20 30 DHEDMO CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1Cc1ccncc1C#N ZINC000599629034 1039236953 /nfs/dbraw/zinc/23/69/53/1039236953.db2.gz FIQCYYUPHFDQHJ-GOSISDBHSA-N 1 1 309.388 3.860 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](CCCCC1CCOCC1)C2 ZINC000599676604 1039253618 /nfs/dbraw/zinc/25/36/18/1039253618.db2.gz BNMMMEIZPLKCGP-UHFFFAOYSA-N 1 1 312.457 3.708 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](CCCC(C)(C)C#N)C2)cc1F ZINC000599675960 1039255971 /nfs/dbraw/zinc/25/59/71/1039255971.db2.gz AZVGUDIGSLAGDF-OAHLLOKOSA-N 1 1 304.409 3.954 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+]([C@@H]1CCc3ccc(F)cc31)C2 ZINC000599679488 1039268139 /nfs/dbraw/zinc/26/81/39/1039268139.db2.gz UUDQCDROOPNCPM-HXUWFJFHSA-N 1 1 306.384 3.937 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1F ZINC000599681674 1039268574 /nfs/dbraw/zinc/26/85/74/1039268574.db2.gz YCVIIVUUFPIMTA-QGZVFWFLSA-N 1 1 310.372 3.695 20 30 DHEDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686162 1039269196 /nfs/dbraw/zinc/26/91/96/1039269196.db2.gz NJTSZZQCUPSUDB-AWEZNQCLSA-N 1 1 321.380 3.780 20 30 DHEDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686162 1039269209 /nfs/dbraw/zinc/26/92/09/1039269209.db2.gz NJTSZZQCUPSUDB-AWEZNQCLSA-N 1 1 321.380 3.780 20 30 DHEDMO C/C=C\C[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000599689225 1039272685 /nfs/dbraw/zinc/27/26/85/1039272685.db2.gz HOEKJSVJIUBQEL-MPNWYJEXSA-N 1 1 322.412 3.786 20 30 DHEDMO C=CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000058562991 1039275409 /nfs/dbraw/zinc/27/54/09/1039275409.db2.gz PICMUGFVXJHWFK-UHFFFAOYSA-N 1 1 318.398 3.723 20 30 DHEDMO C[C@H]1C[N@@H+](CCCSCC#N)CCc2ccc(Cl)cc21 ZINC000593068115 1039366764 /nfs/dbraw/zinc/36/67/64/1039366764.db2.gz YWPMCBIRDMBRSJ-ZDUSSCGKSA-N 1 1 308.878 3.948 20 30 DHEDMO COc1ccc(C[C@@H]2CCCC[N@H+]2CCCSCC#N)cc1 ZINC000593079091 1039443662 /nfs/dbraw/zinc/44/36/62/1039443662.db2.gz ACFDESOCMOLQNF-KRWDZBQOSA-N 1 1 318.486 3.739 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1)Cc1ccccc1 ZINC000058723550 1039503793 /nfs/dbraw/zinc/50/37/93/1039503793.db2.gz NLNKQEQKSIXLGE-KRWDZBQOSA-N 1 1 308.425 3.552 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1)Cc1ccccc1 ZINC000058723550 1039503800 /nfs/dbraw/zinc/50/38/00/1039503800.db2.gz NLNKQEQKSIXLGE-KRWDZBQOSA-N 1 1 308.425 3.552 20 30 DHEDMO COc1c(Br)cccc1C[NH2+]CC1(C#N)CCCC1 ZINC000593654548 1039578871 /nfs/dbraw/zinc/57/88/71/1039578871.db2.gz HPZHYJVEVBDNTB-UHFFFAOYSA-N 1 1 323.234 3.631 20 30 DHEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CCCC1 ZINC000593652674 1039579962 /nfs/dbraw/zinc/57/99/62/1039579962.db2.gz GOEJBVPQTUJBRO-UHFFFAOYSA-N 1 1 316.355 3.528 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2c1OCCO2 ZINC000058932477 1039632394 /nfs/dbraw/zinc/63/23/94/1039632394.db2.gz FCIRKSBGJWEZSH-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+](C1CC1)C1CCCC1 ZINC000594203175 1039716458 /nfs/dbraw/zinc/71/64/58/1039716458.db2.gz PFYYXJVOASTXNN-LJQANCHMSA-N 1 1 315.457 3.562 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000605751923 1039744852 /nfs/dbraw/zinc/74/48/52/1039744852.db2.gz FLANKMBXBUHQPM-MRXNPFEDSA-N 1 1 304.434 3.621 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000605751922 1039746351 /nfs/dbraw/zinc/74/63/51/1039746351.db2.gz FLANKMBXBUHQPM-INIZCTEOSA-N 1 1 304.434 3.621 20 30 DHEDMO CC1(C)CCCN(c2cc[nH+]c(NCc3ccc(C#N)cc3)n2)C1 ZINC000594546308 1039811299 /nfs/dbraw/zinc/81/12/99/1039811299.db2.gz BSSHWLJJFSKYFO-UHFFFAOYSA-N 1 1 321.428 3.587 20 30 DHEDMO N#Cc1ccc(C2([NH2+]Cc3nc4c(s3)CCC4)CCC2)cc1 ZINC000594518521 1039823616 /nfs/dbraw/zinc/82/36/16/1039823616.db2.gz HHAQSSQIKINPHX-UHFFFAOYSA-N 1 1 309.438 3.672 20 30 DHEDMO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594584783 1039860967 /nfs/dbraw/zinc/86/09/67/1039860967.db2.gz JPWXOLGSOMTPFF-LPHOPBHVSA-N 1 1 311.473 3.838 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1 ZINC000594609064 1039867345 /nfs/dbraw/zinc/86/73/45/1039867345.db2.gz FFOQEOAHWXZPIA-LJQANCHMSA-N 1 1 324.468 3.879 20 30 DHEDMO CCc1ccc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cn3)C2)cc1 ZINC000593987398 1039897531 /nfs/dbraw/zinc/89/75/31/1039897531.db2.gz RQSFVCHLZWUEEY-LJQANCHMSA-N 1 1 305.425 3.895 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2cccc(OC3CC3)c2F)c(F)c1 ZINC000594923229 1039929027 /nfs/dbraw/zinc/92/90/27/1039929027.db2.gz XUPATSJYMXGKBG-UHFFFAOYSA-N 1 1 314.335 3.667 20 30 DHEDMO C=CC(C)(C)CC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001127166147 1039951771 /nfs/dbraw/zinc/95/17/71/1039951771.db2.gz VCDIPXKYLWKBQS-DLBZAZTESA-N 1 1 314.473 3.710 20 30 DHEDMO COc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1OC(F)F ZINC000594995974 1040010386 /nfs/dbraw/zinc/01/03/86/1040010386.db2.gz WTERSQQSNZWXBE-UHFFFAOYSA-N 1 1 324.371 3.860 20 30 DHEDMO COc1cccc(-c2n[nH]cc2C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000594993269 1040010543 /nfs/dbraw/zinc/01/05/43/1040010543.db2.gz DAXWRXQVQXXNTJ-UHFFFAOYSA-N 1 1 324.428 3.649 20 30 DHEDMO COc1cccc(OC)c1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000595074702 1040032091 /nfs/dbraw/zinc/03/20/91/1040032091.db2.gz UFIAJUXVDGQTLN-LBPRGKRZSA-N 1 1 314.360 3.565 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC2(CCCCC2)O1 ZINC000594059735 1040043161 /nfs/dbraw/zinc/04/31/61/1040043161.db2.gz ZMPAJPSFZANLJG-AWEZNQCLSA-N 1 1 302.393 3.621 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC2(CCCCC2)O1 ZINC000594059735 1040043183 /nfs/dbraw/zinc/04/31/83/1040043183.db2.gz ZMPAJPSFZANLJG-AWEZNQCLSA-N 1 1 302.393 3.621 20 30 DHEDMO COCCc1nc(C)c([C@H](C)[NH2+]CC2(C#N)CCCCC2)s1 ZINC000595091251 1040079440 /nfs/dbraw/zinc/07/94/40/1040079440.db2.gz OROFWQLEFKVNQN-ZDUSSCGKSA-N 1 1 321.490 3.765 20 30 DHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cncc(Br)c1 ZINC000595091897 1040079990 /nfs/dbraw/zinc/07/99/90/1040079990.db2.gz UBDCKWYJXBJHAW-LBPRGKRZSA-N 1 1 322.250 3.969 20 30 DHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000172919907 1040105146 /nfs/dbraw/zinc/10/51/46/1040105146.db2.gz SWUQDEPWABJALN-GJZGRUSLSA-N 1 1 323.444 3.593 20 30 DHEDMO N#C[C@H](c1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000595472165 1040146798 /nfs/dbraw/zinc/14/67/98/1040146798.db2.gz JBMYBNGWRSUCOE-PKOBYXMFSA-N 1 1 320.440 3.664 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 ZINC000595467904 1040147901 /nfs/dbraw/zinc/14/79/01/1040147901.db2.gz VAMWXPCAWBDZRC-ZCNNSNEGSA-N 1 1 312.457 3.506 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@@H+](CCN[C@@H](CCCC#N)c2ccccc2)C1 ZINC000595502910 1040155197 /nfs/dbraw/zinc/15/51/97/1040155197.db2.gz ORSSKZIBUOXTCG-NSHGMRRFSA-N 1 1 313.489 3.989 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCN[C@@H](CCCC#N)c2ccccc2)C1 ZINC000595502910 1040155207 /nfs/dbraw/zinc/15/52/07/1040155207.db2.gz ORSSKZIBUOXTCG-NSHGMRRFSA-N 1 1 313.489 3.989 20 30 DHEDMO N#CC[C@H]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000595623219 1040194917 /nfs/dbraw/zinc/19/49/17/1040194917.db2.gz KFQLSHMISIBURT-GOSISDBHSA-N 1 1 311.473 3.798 20 30 DHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](C)CC1 ZINC000063308585 1040197748 /nfs/dbraw/zinc/19/77/48/1040197748.db2.gz XPXQNIXIJXERAC-CHWSQXEVSA-N 1 1 319.836 3.661 20 30 DHEDMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611824 1040207608 /nfs/dbraw/zinc/20/76/08/1040207608.db2.gz NSFAGFMKTPEHKI-CVEARBPZSA-N 1 1 321.424 3.792 20 30 DHEDMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611824 1040207618 /nfs/dbraw/zinc/20/76/18/1040207618.db2.gz NSFAGFMKTPEHKI-CVEARBPZSA-N 1 1 321.424 3.792 20 30 DHEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCc3nc(-c4ccccc4)sc3C2)C1 ZINC000595713136 1040227112 /nfs/dbraw/zinc/22/71/12/1040227112.db2.gz PKUZOBIUQHXFPM-DZGCQCFKSA-N 1 1 309.438 3.860 20 30 DHEDMO CN(CCc1ccccc1)[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000595751163 1040239248 /nfs/dbraw/zinc/23/92/48/1040239248.db2.gz VZJYFYVRZMJVDU-LJQANCHMSA-N 1 1 313.489 3.565 20 30 DHEDMO C[N@H+](CCc1ccccc1)[C@@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000595751163 1040239265 /nfs/dbraw/zinc/23/92/65/1040239265.db2.gz VZJYFYVRZMJVDU-LJQANCHMSA-N 1 1 313.489 3.565 20 30 DHEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000595751163 1040239271 /nfs/dbraw/zinc/23/92/71/1040239271.db2.gz VZJYFYVRZMJVDU-LJQANCHMSA-N 1 1 313.489 3.565 20 30 DHEDMO N#Cc1c(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cn2ccccc12 ZINC000595788344 1040256967 /nfs/dbraw/zinc/25/69/67/1040256967.db2.gz JKAPEWKSNJPZQK-OXJNMPFZSA-N 1 1 323.440 3.592 20 30 DHEDMO CC[C@@H](c1ccccc1)[N@@H+](CCC(=O)N(C)CCC#N)C(C)C ZINC000595859243 1040261516 /nfs/dbraw/zinc/26/15/16/1040261516.db2.gz YEDUUWGHZNZOLF-SFHVURJKSA-N 1 1 315.461 3.610 20 30 DHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](C4CCC4)C3)o2)c1 ZINC000595830940 1040265464 /nfs/dbraw/zinc/26/54/64/1040265464.db2.gz CGSAZGPOZSRMPT-QGZVFWFLSA-N 1 1 322.412 3.620 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595910680 1040274091 /nfs/dbraw/zinc/27/40/91/1040274091.db2.gz QLIXKVXXROJESV-OYRHEFFESA-N 1 1 324.468 3.880 20 30 DHEDMO C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@](C)(C(F)F)O1 ZINC000595922045 1040283339 /nfs/dbraw/zinc/28/33/39/1040283339.db2.gz NRISZFOBPOKOOW-DZGCQCFKSA-N 1 1 300.393 3.595 20 30 DHEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@](C)(C(F)F)O1 ZINC000595922045 1040283354 /nfs/dbraw/zinc/28/33/54/1040283354.db2.gz NRISZFOBPOKOOW-DZGCQCFKSA-N 1 1 300.393 3.595 20 30 DHEDMO CC[C@@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596094359 1040307399 /nfs/dbraw/zinc/30/73/99/1040307399.db2.gz LCNBEHRMFCGDPZ-UYAOXDASSA-N 1 1 311.473 3.721 20 30 DHEDMO CC[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596094359 1040307409 /nfs/dbraw/zinc/30/74/09/1040307409.db2.gz LCNBEHRMFCGDPZ-UYAOXDASSA-N 1 1 311.473 3.721 20 30 DHEDMO C#CCOc1ccccc1C[NH2+]Cc1cccnc1OCCCC ZINC000063579332 1040385627 /nfs/dbraw/zinc/38/56/27/1040385627.db2.gz BMWAQVNEJROQBT-UHFFFAOYSA-N 1 1 324.424 3.562 20 30 DHEDMO C[C@@H](C#N)c1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000596637076 1040530773 /nfs/dbraw/zinc/53/07/73/1040530773.db2.gz QGPLHRGSSMRJNQ-INIZCTEOSA-N 1 1 306.409 3.813 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC1(C#N)CCCCC1 ZINC000596814019 1040575501 /nfs/dbraw/zinc/57/55/01/1040575501.db2.gz LWGOAXZUJFCBLA-KRWDZBQOSA-N 1 1 319.493 3.621 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000597173881 1040675186 /nfs/dbraw/zinc/67/51/86/1040675186.db2.gz MNIBVFIJRSOZLH-OAHLLOKOSA-N 1 1 301.409 3.552 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000597173881 1040675193 /nfs/dbraw/zinc/67/51/93/1040675193.db2.gz MNIBVFIJRSOZLH-OAHLLOKOSA-N 1 1 301.409 3.552 20 30 DHEDMO COc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1OC(C)C ZINC000597174301 1040675339 /nfs/dbraw/zinc/67/53/39/1040675339.db2.gz OVEOMIVKOXRSNP-HNNXBMFYSA-N 1 1 302.418 3.608 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1OC(C)C ZINC000597174563 1040675520 /nfs/dbraw/zinc/67/55/20/1040675520.db2.gz QZBYPKPZUGUAAW-OAHLLOKOSA-N 1 1 302.418 3.608 20 30 DHEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000597209471 1040684458 /nfs/dbraw/zinc/68/44/58/1040684458.db2.gz CGYPVTIHQSLLFS-INIZCTEOSA-N 1 1 304.409 3.941 20 30 DHEDMO CC[N@H+](CCOc1c(Cl)cccc1Cl)C[C@H](C)C#N ZINC000060569261 1040785366 /nfs/dbraw/zinc/78/53/66/1040785366.db2.gz IVYQSEREPDSUFH-LLVKDONJSA-N 1 1 301.217 3.854 20 30 DHEDMO CC[N@@H+](CCOc1c(Cl)cccc1Cl)C[C@H](C)C#N ZINC000060569261 1040785374 /nfs/dbraw/zinc/78/53/74/1040785374.db2.gz IVYQSEREPDSUFH-LLVKDONJSA-N 1 1 301.217 3.854 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000534342397 1040810953 /nfs/dbraw/zinc/81/09/53/1040810953.db2.gz WRFITKQAQXYBAE-UHFFFAOYSA-N 1 1 322.387 3.595 20 30 DHEDMO N#Cc1ccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c(Cl)c1 ZINC000615226145 1040847549 /nfs/dbraw/zinc/84/75/49/1040847549.db2.gz FIGROHGJYMBMEN-UHFFFAOYSA-N 1 1 322.799 3.687 20 30 DHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602097738 1040883171 /nfs/dbraw/zinc/88/31/71/1040883171.db2.gz OZPVWXLHVWOWEY-HIFRSBDPSA-N 1 1 317.458 3.504 20 30 DHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000602097738 1040883175 /nfs/dbraw/zinc/88/31/75/1040883175.db2.gz OZPVWXLHVWOWEY-HIFRSBDPSA-N 1 1 317.458 3.504 20 30 DHEDMO CC[C@H](C(=O)Nc1cccc(CC#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000456746153 1040895603 /nfs/dbraw/zinc/89/56/03/1040895603.db2.gz HTHIQJHYUODYBT-LJQANCHMSA-N 1 1 321.424 3.602 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000602433257 1041032230 /nfs/dbraw/zinc/03/22/30/1041032230.db2.gz KJVYGHLIAWJUBR-INIZCTEOSA-N 1 1 319.880 3.788 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)[C@H](c1nccn1C)C1CC1 ZINC000602445190 1041037965 /nfs/dbraw/zinc/03/79/65/1041037965.db2.gz RPRNAXPETHGKLH-IBGZPJMESA-N 1 1 322.456 3.901 20 30 DHEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)C[C@H](C)CCC#N ZINC000602475593 1041041528 /nfs/dbraw/zinc/04/15/28/1041041528.db2.gz LGCQIWDKKHITPA-CQSZACIVSA-N 1 1 301.434 3.504 20 30 DHEDMO COCC[N@H+](Cc1ccc(F)cc1Cl)C[C@@H](C)CCC#N ZINC000602477915 1041049522 /nfs/dbraw/zinc/04/95/22/1041049522.db2.gz YNFKILAVXRBOKA-ZDUSSCGKSA-N 1 1 312.816 3.867 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1CCSCC1 ZINC000602485086 1041051967 /nfs/dbraw/zinc/05/19/67/1041051967.db2.gz PRSUFANFEJXOQD-QZTJIDSGSA-N 1 1 300.471 3.901 20 30 DHEDMO C[C@@H](CCC#N)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000602569660 1041100567 /nfs/dbraw/zinc/10/05/67/1041100567.db2.gz RAVAJVCPBLUYLU-PNYFIKQUSA-N 1 1 313.489 3.672 20 30 DHEDMO CCC[N@@H+](Cc1cccc(C#N)n1)[C@H]1CCCc2cccnc21 ZINC000602615790 1041118851 /nfs/dbraw/zinc/11/88/51/1041118851.db2.gz KAWGSCRQINTWCS-SFHVURJKSA-N 1 1 306.413 3.638 20 30 DHEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2cccc(C#N)n2)c1 ZINC000602606812 1041125086 /nfs/dbraw/zinc/12/50/86/1041125086.db2.gz GVHDTIHUIZQKQE-AUUYWEPGSA-N 1 1 307.397 3.545 20 30 DHEDMO CCC[N@@H+](C[C@@H](C)CCC#N)[C@H](C)C(=O)Nc1ccccc1C ZINC000602640261 1041127433 /nfs/dbraw/zinc/12/74/33/1041127433.db2.gz LJIUFOLQXVEVBM-DOTOQJQBSA-N 1 1 315.461 3.974 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000602688848 1041151982 /nfs/dbraw/zinc/15/19/82/1041151982.db2.gz AXMFZAMYJHMNBU-WFASDCNBSA-N 1 1 322.250 3.921 20 30 DHEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1)C(=O)OC ZINC000602735433 1041187817 /nfs/dbraw/zinc/18/78/17/1041187817.db2.gz XAYHIPLMNLVBBL-ZACQAIPSSA-N 1 1 316.445 3.514 20 30 DHEDMO C=CC[N@H+](CC1CCCCC1)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602781750 1041205397 /nfs/dbraw/zinc/20/53/97/1041205397.db2.gz FZYQLIYZJPHXJJ-ZDUSSCGKSA-N 1 1 306.406 3.591 20 30 DHEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602781750 1041205412 /nfs/dbraw/zinc/20/54/12/1041205412.db2.gz FZYQLIYZJPHXJJ-ZDUSSCGKSA-N 1 1 306.406 3.591 20 30 DHEDMO Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3(CC#N)CC3)C2)s1 ZINC000602828823 1041247724 /nfs/dbraw/zinc/24/77/24/1041247724.db2.gz UZIYVBRJNNQPEL-MRXNPFEDSA-N 1 1 317.502 3.504 20 30 DHEDMO Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3(CC#N)CC3)C2)s1 ZINC000602828823 1041247740 /nfs/dbraw/zinc/24/77/40/1041247740.db2.gz UZIYVBRJNNQPEL-MRXNPFEDSA-N 1 1 317.502 3.504 20 30 DHEDMO Cc1ccc(CN2CC[C@H](C[N@@H+](C)CC3(CC#N)CC3)C2)s1 ZINC000602828823 1041247759 /nfs/dbraw/zinc/24/77/59/1041247759.db2.gz UZIYVBRJNNQPEL-MRXNPFEDSA-N 1 1 317.502 3.504 20 30 DHEDMO Cc1ccc(CN2CC[C@H](C[N@H+](C)CC3(CC#N)CC3)C2)s1 ZINC000602828823 1041247779 /nfs/dbraw/zinc/24/77/79/1041247779.db2.gz UZIYVBRJNNQPEL-MRXNPFEDSA-N 1 1 317.502 3.504 20 30 DHEDMO CCOc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598584035 1041334639 /nfs/dbraw/zinc/33/46/39/1041334639.db2.gz HVYVGSUUYKQSCX-AEFFLSMTSA-N 1 1 316.445 3.523 20 30 DHEDMO CCOc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598584038 1041335257 /nfs/dbraw/zinc/33/52/57/1041335257.db2.gz HVYVGSUUYKQSCX-WMZOPIPTSA-N 1 1 316.445 3.523 20 30 DHEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598589673 1041351785 /nfs/dbraw/zinc/35/17/85/1041351785.db2.gz UMNGSFKCQQDLGC-WBVHZDCISA-N 1 1 316.445 3.523 20 30 DHEDMO CC[C@@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)CC[C@@H]1c1ccccc1 ZINC000598597448 1041356490 /nfs/dbraw/zinc/35/64/90/1041356490.db2.gz XPWFJDASXIOLTI-QRQLOZEOSA-N 1 1 314.473 3.803 20 30 DHEDMO C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1c2ccccc2-c2ccccc21 ZINC000598596892 1041356535 /nfs/dbraw/zinc/35/65/35/1041356535.db2.gz BBJJKRSRPJDOMF-HNNXBMFYSA-N 1 1 320.436 3.989 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598616456 1041361424 /nfs/dbraw/zinc/36/14/24/1041361424.db2.gz AYKVVMOAGOEOLD-ATLSCFEFSA-N 1 1 300.446 3.554 20 30 DHEDMO COc1ccc(C[N@@H+](C[C@H](O)CC(C)(C)C#N)C(C)(C)C)cc1 ZINC000598616651 1041361923 /nfs/dbraw/zinc/36/19/23/1041361923.db2.gz OHXIOTDHBFNJHN-MRXNPFEDSA-N 1 1 318.461 3.596 20 30 DHEDMO C[C@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCc2ccc(Cl)cc21 ZINC000598622006 1041365220 /nfs/dbraw/zinc/36/52/20/1041365220.db2.gz DRVNNYIFLVYNKT-XJKSGUPXSA-N 1 1 320.864 3.602 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC(C)(C)C[C@H]1c1ccccc1 ZINC000598623034 1041365276 /nfs/dbraw/zinc/36/52/76/1041365276.db2.gz SXVBYHCCYKSOGY-IRXDYDNUSA-N 1 1 300.446 3.760 20 30 DHEDMO C#CCCOc1ccc(C[N@H+](C)C[C@H](C)c2nccs2)cc1 ZINC000183262823 335018526 /nfs/dbraw/zinc/01/85/26/335018526.db2.gz BLGQWNONGYBNQR-HNNXBMFYSA-N 1 1 314.454 3.781 20 30 DHEDMO CC(=O)c1ccc(C#N)c(NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000273234259 130100425 /nfs/dbraw/zinc/10/04/25/130100425.db2.gz RZPYWZNMOKPFDG-KRWDZBQOSA-N 1 1 313.426 3.537 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2cccc(F)c2)C2CC2)cc1C#N ZINC000340180090 131006135 /nfs/dbraw/zinc/00/61/35/131006135.db2.gz BJALTWXSMVYBIU-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO C[C@H](N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000287019468 131260135 /nfs/dbraw/zinc/26/01/35/131260135.db2.gz LBJUYMVISYRACE-LIRRHRJNSA-N 1 1 311.404 3.651 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1F)Cc1ccccc1N1CCCC1 ZINC000340733041 132169944 /nfs/dbraw/zinc/16/99/44/132169944.db2.gz AYCSNGPKOUUVJW-UHFFFAOYSA-N 1 1 323.415 3.930 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1F)Cc1ccccc1N1CCCC1 ZINC000340733041 132169945 /nfs/dbraw/zinc/16/99/45/132169945.db2.gz AYCSNGPKOUUVJW-UHFFFAOYSA-N 1 1 323.415 3.930 20 30 DHEDMO C=CCc1cc(C[N@@H+](CC)Cc2ccncc2)cc(OC)c1O ZINC000289879329 335066636 /nfs/dbraw/zinc/06/66/36/335066636.db2.gz RXTIEENALHDHMG-UHFFFAOYSA-N 1 1 312.413 3.546 20 30 DHEDMO C=CC[N@H+](Cc1cnc(C2OCCO2)s1)CC1CCCCC1 ZINC000290098055 335068909 /nfs/dbraw/zinc/06/89/09/335068909.db2.gz RUCULGUXBLBXCI-UHFFFAOYSA-N 1 1 322.474 3.757 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1OC ZINC000290387361 335073151 /nfs/dbraw/zinc/07/31/51/335073151.db2.gz INWRDXWLXDMIFN-UHFFFAOYSA-N 1 1 324.424 3.820 20 30 DHEDMO C=CCOc1ccc(C[N@H+](Cc2ccccn2)C2CC2)cc1OC ZINC000290387361 335073149 /nfs/dbraw/zinc/07/31/49/335073149.db2.gz INWRDXWLXDMIFN-UHFFFAOYSA-N 1 1 324.424 3.820 20 30 DHEDMO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1nc(C2CCCCC2)no1 ZINC000194859727 335084519 /nfs/dbraw/zinc/08/45/19/335084519.db2.gz RZFDQUZKVAYBOR-YDHLFZDLSA-N 1 1 302.422 3.850 20 30 DHEDMO C=CCOc1cccc(C[NH2+]Cc2oc(CCC)nc2C)c1 ZINC000291724145 335083452 /nfs/dbraw/zinc/08/34/52/335083452.db2.gz NAEWTGICETWCTA-UHFFFAOYSA-N 1 1 300.402 3.790 20 30 DHEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000292181021 335086205 /nfs/dbraw/zinc/08/62/05/335086205.db2.gz HDTQUZVMSCEOMB-OAHLLOKOSA-N 1 1 320.502 3.679 20 30 DHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1cc(C#N)c2ccccc2n1 ZINC000609893317 435354799 /nfs/dbraw/zinc/35/47/99/435354799.db2.gz CZWXMEZLWSSNBW-GASCZTMLSA-N 1 1 308.429 3.781 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000557217136 331776884 /nfs/dbraw/zinc/77/68/84/331776884.db2.gz NFZYRJZLLYHVNK-HNNXBMFYSA-N 1 1 324.359 3.546 20 30 DHEDMO N#Cc1ccc(N2CC[NH+](Cc3ccsc3)CC2)cc1Cl ZINC000533811153 331802090 /nfs/dbraw/zinc/80/20/90/331802090.db2.gz LFKPRRZZXHKQML-UHFFFAOYSA-N 1 1 317.845 3.595 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc2ccccc2c1 ZINC000569423688 332080227 /nfs/dbraw/zinc/08/02/27/332080227.db2.gz RMKLNTMUSKFWGV-RBUKOAKNSA-N 1 1 311.425 3.620 20 30 DHEDMO COc1cc(C[N@@H+]2CCc3cccc(F)c3[C@H]2C)ccc1C#N ZINC000569430988 332081757 /nfs/dbraw/zinc/08/17/57/332081757.db2.gz GWUGCKLVGBUATA-CYBMUJFWSA-N 1 1 310.372 3.825 20 30 DHEDMO COc1cc(C[N@H+]2CCc3cccc(F)c3[C@H]2C)ccc1C#N ZINC000569430988 332081759 /nfs/dbraw/zinc/08/17/59/332081759.db2.gz GWUGCKLVGBUATA-CYBMUJFWSA-N 1 1 310.372 3.825 20 30 DHEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](C)c1ccc(F)cc1 ZINC000092123595 332111321 /nfs/dbraw/zinc/11/13/21/332111321.db2.gz QBPPFKAMSYBQBC-AWEZNQCLSA-N 1 1 322.387 3.928 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2ccc3ccccc3c2)C1=O ZINC000410332548 332112280 /nfs/dbraw/zinc/11/22/80/332112280.db2.gz KWIXRNLYFRVFJY-DNVCBOLYSA-N 1 1 308.425 3.620 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@@H]1C ZINC000091859379 332113497 /nfs/dbraw/zinc/11/34/97/332113497.db2.gz WCJMBWFBPHCXCO-HZPDHXFCSA-N 1 1 308.429 3.694 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2c2cccc3ccccc32)C1=O ZINC000410343901 332113539 /nfs/dbraw/zinc/11/35/39/332113539.db2.gz TXUPGODXCNVJAJ-VQTJNVASSA-N 1 1 320.436 3.764 20 30 DHEDMO CC1(C)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093339804 332137684 /nfs/dbraw/zinc/13/76/84/332137684.db2.gz YGFBURFOKLNASZ-UHFFFAOYSA-N 1 1 308.429 3.696 20 30 DHEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@]3(C#N)C[C@H]3C)c2C1 ZINC000410433402 332143743 /nfs/dbraw/zinc/14/37/43/332143743.db2.gz LLFQHWQHERSVNW-AUUYWEPGSA-N 1 1 311.429 3.537 20 30 DHEDMO C=CCC(C)(C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000410508308 332149445 /nfs/dbraw/zinc/14/94/45/332149445.db2.gz KHTIDOYMAOTOCS-QGZVFWFLSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CC[C@@H](C(=O)NCC[N@@H+]1CCCC[C@H]1CC)c1ccccc1 ZINC000426840740 332156844 /nfs/dbraw/zinc/15/68/44/332156844.db2.gz RDCJOQMIGJUBRT-RTBURBONSA-N 1 1 314.473 3.727 20 30 DHEDMO C=CCC[C@@H](C(=O)NCC[N@H+](C)[C@H](C)CC)c1ccccc1 ZINC000427101573 332167591 /nfs/dbraw/zinc/16/75/91/332167591.db2.gz PNZKMYUETKGGFB-SJLPKXTDSA-N 1 1 302.462 3.583 20 30 DHEDMO C=C(C)C[N@@H+](C)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000181284417 332190090 /nfs/dbraw/zinc/19/00/90/332190090.db2.gz NAHZVSHUBFLUOL-UHFFFAOYSA-N 1 1 322.452 3.790 20 30 DHEDMO C=C(C)C[N@@H+](C)Cc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000181315399 332190936 /nfs/dbraw/zinc/19/09/36/332190936.db2.gz BTWVARLFWHNXEZ-UHFFFAOYSA-N 1 1 316.426 3.605 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000181315399 332190938 /nfs/dbraw/zinc/19/09/38/332190938.db2.gz BTWVARLFWHNXEZ-UHFFFAOYSA-N 1 1 316.426 3.605 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000215694955 332197422 /nfs/dbraw/zinc/19/74/22/332197422.db2.gz WZJNOEOXEQPYEU-IBGZPJMESA-N 1 1 306.409 3.817 20 30 DHEDMO Cc1[nH+]ccn1CCCCSc1nc(C)cc(C)c1C#N ZINC000124598101 332221603 /nfs/dbraw/zinc/22/16/03/332221603.db2.gz QVDPMVRAQMLNIZ-UHFFFAOYSA-N 1 1 300.431 3.648 20 30 DHEDMO N#CCC[C@@H]([NH2+]Cc1cc(-c2cccnc2)n[nH]1)c1ccccc1 ZINC000370815862 332260443 /nfs/dbraw/zinc/26/04/43/332260443.db2.gz CEIGMYZNGMXRSS-GOSISDBHSA-N 1 1 317.396 3.606 20 30 DHEDMO C=CC(C)(C)C[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449486406 332288507 /nfs/dbraw/zinc/28/85/07/332288507.db2.gz SABFKTUMZUEKQW-QGZVFWFLSA-N 1 1 300.490 3.884 20 30 DHEDMO COc1ccc2c(c1)[C@@H](C)C[N@H+](CCCC(C)(C)C#N)CC2 ZINC000370952063 332315449 /nfs/dbraw/zinc/31/54/49/332315449.db2.gz CQMJDAQSTPESJH-HNNXBMFYSA-N 1 1 300.446 3.987 20 30 DHEDMO C=CCNC(=O)C[N@@H+](CC(C)C)[C@@H](C)c1ccccc1Cl ZINC000560182171 332317412 /nfs/dbraw/zinc/31/74/12/332317412.db2.gz DIWJFBMHPAVEQK-AWEZNQCLSA-N 1 1 308.853 3.661 20 30 DHEDMO C=CCNC(=O)C[N@H+](CC(C)C)[C@@H](C)c1ccccc1Cl ZINC000560182171 332317413 /nfs/dbraw/zinc/31/74/13/332317413.db2.gz DIWJFBMHPAVEQK-AWEZNQCLSA-N 1 1 308.853 3.661 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc2[nH]cnc2c1 ZINC000560474235 332343515 /nfs/dbraw/zinc/34/35/15/332343515.db2.gz BCVDUMGHPAUIMC-UHFFFAOYSA-N 1 1 307.397 3.760 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc2nc[nH]c2c1 ZINC000560474235 332343517 /nfs/dbraw/zinc/34/35/17/332343517.db2.gz BCVDUMGHPAUIMC-UHFFFAOYSA-N 1 1 307.397 3.760 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc2nc[nH]c2c1 ZINC000560474235 332343518 /nfs/dbraw/zinc/34/35/18/332343518.db2.gz BCVDUMGHPAUIMC-UHFFFAOYSA-N 1 1 307.397 3.760 20 30 DHEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(OCC2CC2)c(F)c1 ZINC000119451274 332372082 /nfs/dbraw/zinc/37/20/82/332372082.db2.gz PEXFMWDNNJMXHK-ZFWWWQNUSA-N 1 1 315.392 3.709 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000293768091 335113040 /nfs/dbraw/zinc/11/30/40/335113040.db2.gz YHEMHPNYYXCVCN-LJQANCHMSA-N 1 1 313.441 3.642 20 30 DHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000313930140 333078228 /nfs/dbraw/zinc/07/82/28/333078228.db2.gz VJXWBQBLJJEADB-ZDUSSCGKSA-N 1 1 300.299 3.860 20 30 DHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000313930140 333078229 /nfs/dbraw/zinc/07/82/29/333078229.db2.gz VJXWBQBLJJEADB-ZDUSSCGKSA-N 1 1 300.299 3.860 20 30 DHEDMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCCC(C)(C)C#N ZINC000174809196 333090989 /nfs/dbraw/zinc/09/09/89/333090989.db2.gz BOHDAPRHQNBLKB-UHFFFAOYSA-N 1 1 301.434 3.504 20 30 DHEDMO C=CC(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000294252049 335122052 /nfs/dbraw/zinc/12/20/52/335122052.db2.gz CHRNUAGKSCWUTH-UHFFFAOYSA-N 1 1 320.864 3.587 20 30 DHEDMO C=CC(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000294252049 335122053 /nfs/dbraw/zinc/12/20/53/335122053.db2.gz CHRNUAGKSCWUTH-UHFFFAOYSA-N 1 1 320.864 3.587 20 30 DHEDMO CC[N@@H+](CCCCCn1c(C)nc2ccccc21)C[C@@H](C)C#N ZINC000463078465 333157289 /nfs/dbraw/zinc/15/72/89/333157289.db2.gz SFPOJVAXTGTQOX-INIZCTEOSA-N 1 1 312.461 3.997 20 30 DHEDMO COC[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(C)o1 ZINC000181847845 333172832 /nfs/dbraw/zinc/17/28/32/333172832.db2.gz OUOOWISXMSBDOG-WMLDXEAASA-N 1 1 314.385 3.529 20 30 DHEDMO C[N@H+](CCC#N)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000108375711 333176635 /nfs/dbraw/zinc/17/66/35/333176635.db2.gz IJVFLCLXJGUPEM-UHFFFAOYSA-N 1 1 314.408 3.774 20 30 DHEDMO CCCOc1c(Cl)cc(C[NH2+][C@@H](CC)CC#N)cc1OC ZINC000184085838 333191904 /nfs/dbraw/zinc/19/19/04/333191904.db2.gz FZKKOIRLAPZZGE-ZDUSSCGKSA-N 1 1 310.825 3.919 20 30 DHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCOc1ccccc1C#N ZINC000318950897 333231632 /nfs/dbraw/zinc/23/16/32/333231632.db2.gz CWMKXILMKLCGHV-AWEZNQCLSA-N 1 1 312.335 3.600 20 30 DHEDMO N#Cc1c(Cl)cccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000393631327 333239830 /nfs/dbraw/zinc/23/98/30/333239830.db2.gz DVVGNLQIVIRDHS-OAHLLOKOSA-N 1 1 311.816 3.898 20 30 DHEDMO C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294963698 335129426 /nfs/dbraw/zinc/12/94/26/335129426.db2.gz MUOBTQAWOJDIHJ-FUHWJXTLSA-N 1 1 314.473 3.710 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)CCOc2cccc(C#N)c2)cc1 ZINC000497486178 333255618 /nfs/dbraw/zinc/25/56/18/333255618.db2.gz NRENLRARMBSFCS-UHFFFAOYSA-N 1 1 324.424 3.510 20 30 DHEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)CCC1 ZINC000364213432 333273521 /nfs/dbraw/zinc/27/35/21/333273521.db2.gz LKBQPBPOGADGLB-HOCLYGCPSA-N 1 1 318.486 3.604 20 30 DHEDMO C=CC1CCN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC000110366662 333327054 /nfs/dbraw/zinc/32/70/54/333327054.db2.gz ZZAVRDRFTWGCIB-UHFFFAOYSA-N 1 1 314.473 3.955 20 30 DHEDMO C=C(C)C[N@H+](CCCn1ccnc1)Cc1ccc(OCC)cc1 ZINC000161247569 333372826 /nfs/dbraw/zinc/37/28/26/333372826.db2.gz SBLHLJCWLYHXTQ-UHFFFAOYSA-N 1 1 313.445 3.750 20 30 DHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000319693126 333397466 /nfs/dbraw/zinc/39/74/66/333397466.db2.gz LJBVUZJINIDIPZ-WMZOPIPTSA-N 1 1 311.429 3.541 20 30 DHEDMO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1nc(-c2ccc(F)cc2)no1 ZINC000365817127 333461039 /nfs/dbraw/zinc/46/10/39/333461039.db2.gz PRQAESLWWGOGOB-ZOWXZIJZSA-N 1 1 314.364 3.609 20 30 DHEDMO C=CCC(CC=C)C(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000366091052 333492875 /nfs/dbraw/zinc/49/28/75/333492875.db2.gz MBBAIYWLOLJWRT-QGZVFWFLSA-N 1 1 315.461 3.938 20 30 DHEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)c(Br)c1 ZINC000339460714 333526273 /nfs/dbraw/zinc/52/62/73/333526273.db2.gz BECNHUYRBVVSCP-MNOVXSKESA-N 1 1 324.197 3.682 20 30 DHEDMO Cn1c2ccc(Nc3cccc(C#N)n3)cc2[nH+]c1C(C)(C)C ZINC000534094243 333560135 /nfs/dbraw/zinc/56/01/35/333560135.db2.gz ALXJMUUTFAHFNJ-UHFFFAOYSA-N 1 1 305.385 3.881 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000411165041 333639108 /nfs/dbraw/zinc/63/91/08/333639108.db2.gz NPYDOTZVCNFAGF-GJZGRUSLSA-N 1 1 312.413 3.673 20 30 DHEDMO CC[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000343446964 335165382 /nfs/dbraw/zinc/16/53/82/335165382.db2.gz HXTHPPXOPLANIR-RYUDHWBXSA-N 1 1 307.825 3.517 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)ccc1OC ZINC000343445182 335165393 /nfs/dbraw/zinc/16/53/93/335165393.db2.gz PETHDYAHGDHCEB-BEFAXECRSA-N 1 1 319.445 3.507 20 30 DHEDMO C=CCC[N@H+](C)Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000343468662 335167559 /nfs/dbraw/zinc/16/75/59/335167559.db2.gz LYUFUXSCUJCQET-UHFFFAOYSA-N 1 1 320.234 3.847 20 30 DHEDMO COc1ccc(C[N@H+]2CC(C)(C)C[C@@H]2C)cc1OCCCC#N ZINC000414524139 334006795 /nfs/dbraw/zinc/00/67/95/334006795.db2.gz JKXNXVDFMMGAAJ-HNNXBMFYSA-N 1 1 316.445 3.998 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)o1 ZINC000414539101 334012747 /nfs/dbraw/zinc/01/27/47/334012747.db2.gz AUPXSAUDDSVZPR-SFHVURJKSA-N 1 1 308.381 3.505 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)o1 ZINC000414539101 334012748 /nfs/dbraw/zinc/01/27/48/334012748.db2.gz AUPXSAUDDSVZPR-SFHVURJKSA-N 1 1 308.381 3.505 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@]1(C)CCCO ZINC000272058355 334030325 /nfs/dbraw/zinc/03/03/25/334030325.db2.gz WBPBQYUKJKVIMH-LJQANCHMSA-N 1 1 300.446 3.615 20 30 DHEDMO N#CCC[C@H](C#N)C[NH+]1CCC(c2cccc3cnccc32)CC1 ZINC000366833139 335173465 /nfs/dbraw/zinc/17/34/65/335173465.db2.gz YZOQXUKXPDMXOW-MRXNPFEDSA-N 1 1 318.424 3.858 20 30 DHEDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]CCC(C)(C)C#N)n2)cc1 ZINC000273278292 334044976 /nfs/dbraw/zinc/04/49/76/334044976.db2.gz GGJLEAPQURMGDU-CYBMUJFWSA-N 1 1 312.417 3.889 20 30 DHEDMO COc1ccc2oc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)c(C)c2c1 ZINC000273296733 334045149 /nfs/dbraw/zinc/04/51/49/334045149.db2.gz MEZMEHAJUNVSCR-ZIAGYGMSSA-N 1 1 311.385 3.844 20 30 DHEDMO Cc1cc(-c2noc([C@H](C)[NH2+][C@@H]3CC[C@H](C#N)C3)n2)ccc1F ZINC000274405019 334060921 /nfs/dbraw/zinc/06/09/21/334060921.db2.gz FINVZRQNNDRHLV-SGMGOOAPSA-N 1 1 314.364 3.527 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccc2c(c1)OCCO2 ZINC000353423722 334069177 /nfs/dbraw/zinc/06/91/77/334069177.db2.gz SBOQTVFMKOJIRX-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc2c(c1)OCCO2 ZINC000353423722 334069178 /nfs/dbraw/zinc/06/91/78/334069178.db2.gz SBOQTVFMKOJIRX-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000277580185 334089111 /nfs/dbraw/zinc/08/91/11/334089111.db2.gz CCZQXCKMBXCGCE-HOTGVXAUSA-N 1 1 304.434 3.888 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC(C)(C)C#N)cc1 ZINC000278165102 334093194 /nfs/dbraw/zinc/09/31/94/334093194.db2.gz AJFVACOWNXAFLJ-OAHLLOKOSA-N 1 1 313.445 3.939 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278342481 334095399 /nfs/dbraw/zinc/09/53/99/334095399.db2.gz CFRJXWKYXFWHOQ-HNNXBMFYSA-N 1 1 319.424 3.784 20 30 DHEDMO CCC(CC)c1cc(C[NH2+]Cc2ccc(C#N)c(OC)c2)on1 ZINC000281689302 334127869 /nfs/dbraw/zinc/12/78/69/334127869.db2.gz MZETXVWUEDLOHF-UHFFFAOYSA-N 1 1 313.401 3.748 20 30 DHEDMO Cc1cc(C)c(C(=O)/C=C/c2nccn2CC(F)(F)F)c([O-])c1 ZINC000281776634 334128577 /nfs/dbraw/zinc/12/85/77/334128577.db2.gz DCYIBIGPVAJLNC-ONEGZZNKSA-N 1 1 324.302 3.664 20 30 DHEDMO C[C@@H](c1ccco1)[N@@H+](CCCC1(C#N)CCOCC1)C1CC1 ZINC000282132357 334131791 /nfs/dbraw/zinc/13/17/91/334131791.db2.gz YXZWQLJYSDLCFI-HNNXBMFYSA-N 1 1 302.418 3.906 20 30 DHEDMO CC(C)(C#N)CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285471444 334148138 /nfs/dbraw/zinc/14/81/38/334148138.db2.gz HMBHGXURGIERBW-HXUWFJFHSA-N 1 1 311.473 3.524 20 30 DHEDMO CC(C)(C#N)CCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285471444 334148140 /nfs/dbraw/zinc/14/81/40/334148140.db2.gz HMBHGXURGIERBW-HXUWFJFHSA-N 1 1 311.473 3.524 20 30 DHEDMO CC(C)(C#N)CC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285471444 334148142 /nfs/dbraw/zinc/14/81/42/334148142.db2.gz HMBHGXURGIERBW-HXUWFJFHSA-N 1 1 311.473 3.524 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285471444 334148144 /nfs/dbraw/zinc/14/81/44/334148144.db2.gz HMBHGXURGIERBW-HXUWFJFHSA-N 1 1 311.473 3.524 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285671387 334149050 /nfs/dbraw/zinc/14/90/50/334149050.db2.gz ZTXJGTGZCFTROD-UHFFFAOYSA-N 1 1 322.408 3.588 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285671387 334149053 /nfs/dbraw/zinc/14/90/53/334149053.db2.gz ZTXJGTGZCFTROD-UHFFFAOYSA-N 1 1 322.408 3.588 20 30 DHEDMO C[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1ccc(OCC#N)cc1 ZINC000285760136 334149979 /nfs/dbraw/zinc/14/99/79/334149979.db2.gz SOLDARKETWAWIW-RYUDHWBXSA-N 1 1 317.339 3.674 20 30 DHEDMO COCC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccco1 ZINC000439441122 334177706 /nfs/dbraw/zinc/17/77/06/334177706.db2.gz PBPNCJUXKWAUSD-OAHLLOKOSA-N 1 1 304.777 3.672 20 30 DHEDMO N#CCCOCC[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000292666338 334190683 /nfs/dbraw/zinc/19/06/83/334190683.db2.gz AUTIELYPLBWZPF-FQEVSTJZSA-N 1 1 306.409 3.716 20 30 DHEDMO N#C[C@@H]1CC[C@H](N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000292829369 334193054 /nfs/dbraw/zinc/19/30/54/334193054.db2.gz OPUDVVJJCZNXSH-IVAOSVALSA-N 1 1 323.484 3.665 20 30 DHEDMO N#C[C@@H]1CC[C@H](N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000292829369 334193056 /nfs/dbraw/zinc/19/30/56/334193056.db2.gz OPUDVVJJCZNXSH-IVAOSVALSA-N 1 1 323.484 3.665 20 30 DHEDMO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCOCCC#N ZINC000293482491 334198223 /nfs/dbraw/zinc/19/82/23/334198223.db2.gz MLZOXUDAORMQCT-LLVKDONJSA-N 1 1 301.217 3.916 20 30 DHEDMO CCOc1cc2c(cc1OCC)C[N@H+]([C@H](C)CCC#N)CC2 ZINC000297751566 334243964 /nfs/dbraw/zinc/24/39/64/334243964.db2.gz DTXQKKQPQCMMJM-CQSZACIVSA-N 1 1 302.418 3.534 20 30 DHEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000298554744 334249860 /nfs/dbraw/zinc/24/98/60/334249860.db2.gz OPRAMPKTZAQCMU-LBPRGKRZSA-N 1 1 300.324 3.752 20 30 DHEDMO Cc1cccc(NCc2cccn2Cc2ccccc2C#N)[nH+]1 ZINC000187693099 334268251 /nfs/dbraw/zinc/26/82/51/334268251.db2.gz YUSJDHVAOFBPIL-UHFFFAOYSA-N 1 1 302.381 3.724 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)C[C@@H](C)CC ZINC000303440894 334320324 /nfs/dbraw/zinc/32/03/24/334320324.db2.gz FSOSDWQWFASKON-AWEZNQCLSA-N 1 1 306.475 3.881 20 30 DHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CCOc1ccccc1C#N ZINC000303904490 334342164 /nfs/dbraw/zinc/34/21/64/334342164.db2.gz LXAGAQPKJPIYNF-IBGZPJMESA-N 1 1 308.425 3.890 20 30 DHEDMO C=CCC[N@@H+](Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C ZINC000535014088 334355234 /nfs/dbraw/zinc/35/52/34/334355234.db2.gz LJYSJOSADBEZSI-UHFFFAOYSA-N 1 1 316.493 3.809 20 30 DHEDMO C=CC[C@@H](CO)CNc1cc[nH+]c2c(Br)cccc12 ZINC000340890624 334393632 /nfs/dbraw/zinc/39/36/32/334393632.db2.gz HGDVYMXABILVIJ-LLVKDONJSA-N 1 1 321.218 3.594 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C#N)c1F ZINC000340938845 334394988 /nfs/dbraw/zinc/39/49/88/334394988.db2.gz LEAGJZMZXKXCFT-UHFFFAOYSA-N 1 1 307.372 3.980 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000341999997 334499884 /nfs/dbraw/zinc/49/98/84/334499884.db2.gz XHSAFCZBHSYZHZ-SUMWQHHRSA-N 1 1 322.399 3.595 20 30 DHEDMO C=CCN(C)c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000160571401 334875837 /nfs/dbraw/zinc/87/58/37/334875837.db2.gz UQKSUVCYTLZMSJ-UHFFFAOYSA-N 1 1 316.474 3.526 20 30 DHEDMO Cc1[nH+]ccn1CCCN(C)c1cc(C#N)ccc1C(F)(F)F ZINC000127889424 334881970 /nfs/dbraw/zinc/88/19/70/334881970.db2.gz ZKLBJQCHYHSFAC-UHFFFAOYSA-N 1 1 322.334 3.609 20 30 DHEDMO CC[C@]1(C)CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000344264856 335234176 /nfs/dbraw/zinc/23/41/76/335234176.db2.gz PPQQHCPHVDDVAC-HXUWFJFHSA-N 1 1 323.440 3.860 20 30 DHEDMO N#Cc1ccc(OCC[N@H+]2CC[C@](F)(c3ccccc3)C2)cc1 ZINC000583643034 336011058 /nfs/dbraw/zinc/01/10/58/336011058.db2.gz HAQNJOWLZXXMFL-LJQANCHMSA-N 1 1 310.372 3.508 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CC[C@](F)(c3ccccc3)C2)cc1 ZINC000583643034 336011059 /nfs/dbraw/zinc/01/10/59/336011059.db2.gz HAQNJOWLZXXMFL-LJQANCHMSA-N 1 1 310.372 3.508 20 30 DHEDMO C[C@H](c1ccco1)N(C)CC#CC[N@H+](C)[C@H](C)c1ccco1 ZINC000351614762 336050689 /nfs/dbraw/zinc/05/06/89/336050689.db2.gz IODDCWYMVVIJMO-HZPDHXFCSA-N 1 1 300.402 3.562 20 30 DHEDMO N#C[C@H](NC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000329695340 336052874 /nfs/dbraw/zinc/05/28/74/336052874.db2.gz BJPYIMHVNKPQCD-HBFSDRIKSA-N 1 1 323.440 3.547 20 30 DHEDMO Cc1[nH+]ccn1CCNC(=O)NC1CCC2(CCCCC2)CC1 ZINC000329823345 336086311 /nfs/dbraw/zinc/08/63/11/336086311.db2.gz BDYOMLZZIYOCPV-UHFFFAOYSA-N 1 1 318.465 3.588 20 30 DHEDMO Cc1nc2c(cccc2C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)o1 ZINC000329922322 336095667 /nfs/dbraw/zinc/09/56/67/336095667.db2.gz GFMIDENDMSDKNZ-QWHCGFSZSA-N 1 1 315.417 3.561 20 30 DHEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1coc(C2CCCC2)n1 ZINC000329955101 336099524 /nfs/dbraw/zinc/09/95/24/336099524.db2.gz OVUNZSFKDWWYAB-HNNXBMFYSA-N 1 1 319.449 3.901 20 30 DHEDMO Cc1cnc(-c2cccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)c2)o1 ZINC000330220544 336126154 /nfs/dbraw/zinc/12/61/54/336126154.db2.gz KWLMVXZFSZTYLE-INIZCTEOSA-N 1 1 311.385 3.865 20 30 DHEDMO Cc1coc(-c2cccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)c2)n1 ZINC000330223677 336126418 /nfs/dbraw/zinc/12/64/18/336126418.db2.gz NFSPYNBZIGUZBX-INIZCTEOSA-N 1 1 311.385 3.865 20 30 DHEDMO Cc1coc(-c2cccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)c2)n1 ZINC000330223678 336126476 /nfs/dbraw/zinc/12/64/76/336126476.db2.gz NFSPYNBZIGUZBX-MRXNPFEDSA-N 1 1 311.385 3.865 20 30 DHEDMO COC[C@@H](C)[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000352303340 336211062 /nfs/dbraw/zinc/21/10/62/336211062.db2.gz RRDIKDBXKUMHBZ-MRXNPFEDSA-N 1 1 324.424 3.604 20 30 DHEDMO C[NH+](C)Cc1ccc(NC(=O)c2cscc2C#N)cc1Cl ZINC000352421596 336217641 /nfs/dbraw/zinc/21/76/41/336217641.db2.gz MJHKBOWDFWCTMI-UHFFFAOYSA-N 1 1 319.817 3.587 20 30 DHEDMO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000352433887 336218397 /nfs/dbraw/zinc/21/83/97/336218397.db2.gz YTTQUSPASYKMEE-UHFFFAOYSA-N 1 1 304.393 3.614 20 30 DHEDMO C[N@H+](Cc1ccoc1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000352648695 336228608 /nfs/dbraw/zinc/22/86/08/336228608.db2.gz GEDVYNWBOKHJBX-UHFFFAOYSA-N 1 1 320.396 3.689 20 30 DHEDMO C[N@@H+](Cc1ccoc1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000352648695 336228609 /nfs/dbraw/zinc/22/86/09/336228609.db2.gz GEDVYNWBOKHJBX-UHFFFAOYSA-N 1 1 320.396 3.689 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cnn(-c2ccccc2)c1 ZINC000352700457 336231188 /nfs/dbraw/zinc/23/11/88/336231188.db2.gz PLGWGMLIYVEDJU-UHFFFAOYSA-N 1 1 307.397 3.696 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](OC)c1ccccc1 ZINC000352815103 336249703 /nfs/dbraw/zinc/24/97/03/336249703.db2.gz LPPFIUDIPXKRNV-IBGZPJMESA-N 1 1 315.413 3.538 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000532582979 336256504 /nfs/dbraw/zinc/25/65/04/336256504.db2.gz XEXMKMRIEOURFE-NSHDSACASA-N 1 1 321.421 3.660 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000532699546 336267117 /nfs/dbraw/zinc/26/71/17/336267117.db2.gz RYOWPWVGPDRQIP-YZLZLFLDSA-N 1 1 311.473 3.956 20 30 DHEDMO C[C@@H]([NH2+]CCCN(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000192872546 336278466 /nfs/dbraw/zinc/27/84/66/336278466.db2.gz QHXLHDMJXMHGTJ-QGZVFWFLSA-N 1 1 307.441 3.731 20 30 DHEDMO C[C@@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000192872546 336278467 /nfs/dbraw/zinc/27/84/67/336278467.db2.gz QHXLHDMJXMHGTJ-QGZVFWFLSA-N 1 1 307.441 3.731 20 30 DHEDMO C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000192872546 336278468 /nfs/dbraw/zinc/27/84/68/336278468.db2.gz QHXLHDMJXMHGTJ-QGZVFWFLSA-N 1 1 307.441 3.731 20 30 DHEDMO C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000192918880 336284276 /nfs/dbraw/zinc/28/42/76/336284276.db2.gz BONGQGORFJXYQB-IRXDYDNUSA-N 1 1 315.461 3.504 20 30 DHEDMO C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000192918880 336284277 /nfs/dbraw/zinc/28/42/77/336284277.db2.gz BONGQGORFJXYQB-IRXDYDNUSA-N 1 1 315.461 3.504 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000367138511 336287261 /nfs/dbraw/zinc/28/72/61/336287261.db2.gz PYRRQHULJXJDAG-KBXCAEBGSA-N 1 1 317.383 3.992 20 30 DHEDMO C[C@H](CNc1ccc(Cl)c(C#N)n1)[N@@H+](C)Cc1ccccc1 ZINC000301283940 336298585 /nfs/dbraw/zinc/29/85/85/336298585.db2.gz UUCVEYSQQDIVNX-CYBMUJFWSA-N 1 1 314.820 3.539 20 30 DHEDMO N#Cc1cc(Cl)ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301788501 336329976 /nfs/dbraw/zinc/32/99/76/336329976.db2.gz PUPWHBPERDRCLF-SCLBCKFNSA-N 1 1 315.848 3.665 20 30 DHEDMO C[C@H](Nc1cccc(F)c1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000302035099 336344528 /nfs/dbraw/zinc/34/45/28/336344528.db2.gz FBSHYVZAARIPLL-KBPBESRZSA-N 1 1 301.409 3.762 20 30 DHEDMO CCC[N@H+]1CC[C@@H](CNc2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000302188189 336353166 /nfs/dbraw/zinc/35/31/66/336353166.db2.gz WZZNSHAHQREYTI-LBPRGKRZSA-N 1 1 311.351 3.721 20 30 DHEDMO C=CCN(CCOC)c1cc[nH+]c2ccc(Br)cc21 ZINC000302731394 336366916 /nfs/dbraw/zinc/36/69/16/336366916.db2.gz STBCRHYIHOXDSK-UHFFFAOYSA-N 1 1 321.218 3.636 20 30 DHEDMO N#Cc1cccc(C#N)c1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000302889743 336373438 /nfs/dbraw/zinc/37/34/38/336373438.db2.gz OZJJKHMEWMPOGX-IBGZPJMESA-N 1 1 316.408 3.506 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cccc2c1OCCCO2 ZINC000352931186 336378080 /nfs/dbraw/zinc/37/80/80/336378080.db2.gz MZORHTOIYUTKLJ-UHFFFAOYSA-N 1 1 313.397 3.672 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(OC)c(OCC)c1 ZINC000352935469 336378279 /nfs/dbraw/zinc/37/82/79/336378279.db2.gz ZFFXSSZDSIDLNU-UHFFFAOYSA-N 1 1 315.413 3.918 20 30 DHEDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC000353020852 336380348 /nfs/dbraw/zinc/38/03/48/336380348.db2.gz IRDGEURRPNHVTD-UHFFFAOYSA-N 1 1 304.821 3.603 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(N2CCCC2)nc1 ZINC000352975519 336380818 /nfs/dbraw/zinc/38/08/18/336380818.db2.gz FJQVOWATZLXPMW-UHFFFAOYSA-N 1 1 311.429 3.506 20 30 DHEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccn(-c3ccccc3)n1)CC2 ZINC000353279741 336409810 /nfs/dbraw/zinc/40/98/10/336409810.db2.gz XFZLBOXVEAQZCE-FQEVSTJZSA-N 1 1 314.392 3.521 20 30 DHEDMO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000356412066 336548918 /nfs/dbraw/zinc/54/89/18/336548918.db2.gz MATYJWZTOJXUKG-BMIGLBTASA-N 1 1 321.833 3.534 20 30 DHEDMO C[NH+](C)Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1Cl ZINC000357971963 336604759 /nfs/dbraw/zinc/60/47/59/336604759.db2.gz UOKLWQKTZNLMTD-UHFFFAOYSA-N 1 1 313.788 3.526 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1nccn1-c1ccccc1 ZINC000367299762 336613925 /nfs/dbraw/zinc/61/39/25/336613925.db2.gz JZBQXDRFCVTPKD-HNNXBMFYSA-N 1 1 302.381 3.595 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000358279053 336620833 /nfs/dbraw/zinc/62/08/33/336620833.db2.gz OGJXWEVYECRRAS-OAHLLOKOSA-N 1 1 315.442 3.812 20 30 DHEDMO C=CCN(C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000361994985 336781319 /nfs/dbraw/zinc/78/13/19/336781319.db2.gz GDGWPTCICGNEKH-CQSZACIVSA-N 1 1 324.428 3.602 20 30 DHEDMO CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CC1(C#N)CCC1 ZINC000418144396 336896798 /nfs/dbraw/zinc/89/67/98/336896798.db2.gz TWEKFNKIBNUEKF-UHFFFAOYSA-N 1 1 308.429 3.779 20 30 DHEDMO C[C@H]([NH2+][C@@H]1c2cccc(F)c2O[C@@H]1C)c1ccc(C#N)s1 ZINC000371513659 336906703 /nfs/dbraw/zinc/90/67/03/336906703.db2.gz GXOCKVVOINTKSL-WMFXKJRFSA-N 1 1 302.374 3.932 20 30 DHEDMO C=CCCCCNC(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000372139881 336923254 /nfs/dbraw/zinc/92/32/54/336923254.db2.gz HELFRTAAFSIXCA-INIZCTEOSA-N 1 1 318.465 3.709 20 30 DHEDMO C=CC[C@H](C(=O)NCc1[nH+]c(C)n2c1CCCC2)c1ccccc1 ZINC000372506916 336933157 /nfs/dbraw/zinc/93/31/57/336933157.db2.gz XZLJBHCJEYWUEF-KRWDZBQOSA-N 1 1 323.440 3.504 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(c3cccc(F)c3F)CC2)o1 ZINC000373490753 336962123 /nfs/dbraw/zinc/96/21/23/336962123.db2.gz TWLFDSFWFWFOEG-UHFFFAOYSA-N 1 1 302.324 3.809 20 30 DHEDMO COC[C@@H]1CCCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000375096186 337003250 /nfs/dbraw/zinc/00/32/50/337003250.db2.gz CMLKAZJHDNTLKV-GOSISDBHSA-N 1 1 316.445 3.618 20 30 DHEDMO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](Cc2ccc(C(F)F)cc2)C1 ZINC000375155381 337004691 /nfs/dbraw/zinc/00/46/91/337004691.db2.gz XZSAOPIJHQOGFS-HOTGVXAUSA-N 1 1 317.383 3.932 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000375317599 337007893 /nfs/dbraw/zinc/00/78/93/337007893.db2.gz GRSPHXPFJXEMNI-OALUTQOASA-N 1 1 314.429 3.513 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2cc(C#N)ccn2)cc1F ZINC000376403107 337032689 /nfs/dbraw/zinc/03/26/89/337032689.db2.gz MCUZRJAZUYXEKW-LBPRGKRZSA-N 1 1 321.359 3.760 20 30 DHEDMO CC(C)C[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H]1CCCc2cccnc21 ZINC000376651124 337039120 /nfs/dbraw/zinc/03/91/20/337039120.db2.gz JRNBMLQRKJWKHK-LJQANCHMSA-N 1 1 322.456 3.827 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@H]2CCCc3cccnc32)cc1 ZINC000377246815 337049353 /nfs/dbraw/zinc/04/93/53/337049353.db2.gz WRGKWHUGLLMNCT-BEFAXECRSA-N 1 1 321.424 3.882 20 30 DHEDMO CC[C@H]([NH2+][C@H]1CCCn2nc(C(C)C)nc21)c1ccc(C#N)cc1 ZINC000377262135 337049663 /nfs/dbraw/zinc/04/96/63/337049663.db2.gz NIEXWTLBWRIZCT-IRXDYDNUSA-N 1 1 323.444 3.849 20 30 DHEDMO CC[C@H]([NH2+][C@@H]1CCCn2nc(C(C)C)nc21)c1ccc(C#N)cc1 ZINC000377262133 337049672 /nfs/dbraw/zinc/04/96/72/337049672.db2.gz NIEXWTLBWRIZCT-DLBZAZTESA-N 1 1 323.444 3.849 20 30 DHEDMO CC(C)c1nccn1C[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000377726303 337059685 /nfs/dbraw/zinc/05/96/85/337059685.db2.gz XDXFHTVLJAIKSA-GOSISDBHSA-N 1 1 308.429 3.543 20 30 DHEDMO C[N@H+]1CCC[C@H](CNc2cccnc2C#N)[C@@H]1c1cccs1 ZINC000378062138 337065716 /nfs/dbraw/zinc/06/57/16/337065716.db2.gz SLTFLNDTIHQORP-CXAGYDPISA-N 1 1 312.442 3.510 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC=C(c3ccnc4[nH]ccc43)CC2)c1 ZINC000378440914 337072715 /nfs/dbraw/zinc/07/27/15/337072715.db2.gz FWZHENYPXWRYFZ-UHFFFAOYSA-N 1 1 314.392 3.724 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCS[C@H](c3ccccc3)C2)s1 ZINC000360079467 337085096 /nfs/dbraw/zinc/08/50/96/337085096.db2.gz NZEAUMGTKGPWMH-INIZCTEOSA-N 1 1 300.452 3.910 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)s1 ZINC000360079468 337085207 /nfs/dbraw/zinc/08/52/07/337085207.db2.gz NZEAUMGTKGPWMH-MRXNPFEDSA-N 1 1 300.452 3.910 20 30 DHEDMO CC(=O)Nc1cccc2c1CC[N@H+]([C@H](C)c1ccc(C#N)cc1)C2 ZINC000172396653 337128662 /nfs/dbraw/zinc/12/86/62/337128662.db2.gz JFMRSLSHDWLRHN-CQSZACIVSA-N 1 1 319.408 3.636 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC000172647624 337129246 /nfs/dbraw/zinc/12/92/46/337129246.db2.gz SUSBTCFGCJFLIA-OAHLLOKOSA-N 1 1 310.397 3.639 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000174844958 337144888 /nfs/dbraw/zinc/14/48/88/337144888.db2.gz WUJFIXFDAIJJFA-OAHLLOKOSA-N 1 1 300.402 3.882 20 30 DHEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000179120170 337167913 /nfs/dbraw/zinc/16/79/13/337167913.db2.gz NNCPYGZBCPFZMX-LJQANCHMSA-N 1 1 307.397 3.559 20 30 DHEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H](C)C(C)C ZINC000180002039 337173061 /nfs/dbraw/zinc/17/30/61/337173061.db2.gz ZASFOQBOGGXIMD-OAHLLOKOSA-N 1 1 310.445 3.825 20 30 DHEDMO C[C@H](c1ccsc1)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000185485795 337205729 /nfs/dbraw/zinc/20/57/29/337205729.db2.gz WRSLEFXWAFLNKN-CYBMUJFWSA-N 1 1 315.417 3.642 20 30 DHEDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)c1 ZINC000582973116 337224748 /nfs/dbraw/zinc/22/47/48/337224748.db2.gz OPLGRJBPOKYMRX-MRXNPFEDSA-N 1 1 311.816 3.905 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000185561539 337249003 /nfs/dbraw/zinc/24/90/03/337249003.db2.gz AOKLRXUBFAPDCM-KSZLIROESA-N 1 1 306.494 3.702 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)o1 ZINC000192191776 337303849 /nfs/dbraw/zinc/30/38/49/337303849.db2.gz GIVYIKZISARXCC-KRWDZBQOSA-N 1 1 314.360 3.774 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)o1 ZINC000192191776 337303850 /nfs/dbraw/zinc/30/38/50/337303850.db2.gz GIVYIKZISARXCC-KRWDZBQOSA-N 1 1 314.360 3.774 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000584652129 337381056 /nfs/dbraw/zinc/38/10/56/337381056.db2.gz JYCJNWGWRILOAG-UHFFFAOYSA-N 1 1 322.452 3.790 20 30 DHEDMO N#CC1(c2ccccc2)CC([NH2+]Cc2ccn(C3CCCC3)n2)C1 ZINC000128113021 337424039 /nfs/dbraw/zinc/42/40/39/337424039.db2.gz AHOBWJHWTNYJES-UHFFFAOYSA-N 1 1 320.440 3.712 20 30 DHEDMO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000090117907 337878181 /nfs/dbraw/zinc/87/81/81/337878181.db2.gz UCHWWIGVQKIGSI-QGZVFWFLSA-N 1 1 313.332 3.846 20 30 DHEDMO CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccc(C)cc1 ZINC000537059142 337883111 /nfs/dbraw/zinc/88/31/11/337883111.db2.gz QXIRXKUGIRFCIG-LJQANCHMSA-N 1 1 322.408 3.894 20 30 DHEDMO C[C@H](c1ccc(F)cc1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000216382481 337898554 /nfs/dbraw/zinc/89/85/54/337898554.db2.gz CNJQAHCUWQQRNR-UZLBHIALSA-N 1 1 323.415 3.769 20 30 DHEDMO C[N@@H+](CCCc1ccsc1)CCOCc1ccc(C#N)cc1 ZINC000515910669 338001080 /nfs/dbraw/zinc/00/10/80/338001080.db2.gz YSPQGLXRVDUONT-UHFFFAOYSA-N 1 1 314.454 3.701 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cccc(F)c3C#N)C2)cc1 ZINC000428399485 338050135 /nfs/dbraw/zinc/05/01/35/338050135.db2.gz HRJIIJORCRJHDE-OAHLLOKOSA-N 1 1 310.372 3.695 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429141965 338071701 /nfs/dbraw/zinc/07/17/01/338071701.db2.gz MIMVMBHLTWUWTL-GDBMZVCRSA-N 1 1 311.878 3.834 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429245698 338074596 /nfs/dbraw/zinc/07/45/96/338074596.db2.gz LBABXKFMSSOKQI-HZPDHXFCSA-N 1 1 323.415 3.969 20 30 DHEDMO C=C(CC)C[N@@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000429393521 338079446 /nfs/dbraw/zinc/07/94/46/338079446.db2.gz MAZMASVXYHWCKM-UHFFFAOYSA-N 1 1 322.452 3.790 20 30 DHEDMO C=CCN(C)CC[N@H+](CC)Cc1ccc(Cl)c2cccnc12 ZINC000429706254 338087896 /nfs/dbraw/zinc/08/78/96/338087896.db2.gz CPEKTKBZFFKIKG-UHFFFAOYSA-N 1 1 317.864 3.828 20 30 DHEDMO C=CC[N@@H+](C)CCN(CC)Cc1ccc(Cl)c2cccnc12 ZINC000429706254 338087897 /nfs/dbraw/zinc/08/78/97/338087897.db2.gz CPEKTKBZFFKIKG-UHFFFAOYSA-N 1 1 317.864 3.828 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)Cc1ccc(Cl)c2cccnc12 ZINC000429706254 338087898 /nfs/dbraw/zinc/08/78/98/338087898.db2.gz CPEKTKBZFFKIKG-UHFFFAOYSA-N 1 1 317.864 3.828 20 30 DHEDMO CC[C@H](C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1 ZINC000430161608 338099627 /nfs/dbraw/zinc/09/96/27/338099627.db2.gz NRCLHEUWKLPXNJ-MJGOQNOKSA-N 1 1 321.424 3.600 20 30 DHEDMO C=CCC(C)(C)CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000432105855 338145847 /nfs/dbraw/zinc/14/58/47/338145847.db2.gz GFYBTOIOAADJAR-MRXNPFEDSA-N 1 1 309.498 3.543 20 30 DHEDMO N#CCCC[C@H]([NH2+]Cc1nc(-c2ccco2)no1)c1ccccc1 ZINC000433015106 338176338 /nfs/dbraw/zinc/17/63/38/338176338.db2.gz VLYNPMQLTCEMCP-HNNXBMFYSA-N 1 1 322.368 3.854 20 30 DHEDMO COCC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCCSC1 ZINC000433181085 338184461 /nfs/dbraw/zinc/18/44/61/338184461.db2.gz JILYTKWHXASQHF-INIZCTEOSA-N 1 1 324.877 3.556 20 30 DHEDMO C=CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000433282554 338189178 /nfs/dbraw/zinc/18/91/78/338189178.db2.gz MRVLOFQRZDOEJF-UHFFFAOYSA-N 1 1 319.408 3.575 20 30 DHEDMO N#Cc1c(F)cccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000433301308 338190463 /nfs/dbraw/zinc/19/04/63/338190463.db2.gz GKMQDMWIXLTJAS-IBGZPJMESA-N 1 1 324.399 3.691 20 30 DHEDMO C[N@H+](CCOc1cc(Cl)cc(Cl)c1)CC(C)(C)C#N ZINC000433326579 338192491 /nfs/dbraw/zinc/19/24/91/338192491.db2.gz OHUJTBCMBPAYSX-UHFFFAOYSA-N 1 1 301.217 3.854 20 30 DHEDMO C[N@@H+](CCOc1cc(Cl)cc(Cl)c1)CC(C)(C)C#N ZINC000433326579 338192492 /nfs/dbraw/zinc/19/24/92/338192492.db2.gz OHUJTBCMBPAYSX-UHFFFAOYSA-N 1 1 301.217 3.854 20 30 DHEDMO C=CCC[C@@H](NC(=O)NCC[N@H+](C)[C@H](C)CC)c1ccccc1 ZINC000435095958 338232136 /nfs/dbraw/zinc/23/21/36/338232136.db2.gz KAENSUDTZXOXDK-SJLPKXTDSA-N 1 1 317.477 3.723 20 30 DHEDMO C=C(C)[C@@H]1OCC[C@H]1CNc1cc(C)[nH+]c2c(OC)cccc12 ZINC000435593603 338243082 /nfs/dbraw/zinc/24/30/82/338243082.db2.gz RMVCSIMDSRDYLQ-LIRRHRJNSA-N 1 1 312.413 3.945 20 30 DHEDMO N#Cc1ccc(CNC[C@H]2CCC[N@H+]2C2CCCCC2)c(F)c1 ZINC000435728823 338246586 /nfs/dbraw/zinc/24/65/86/338246586.db2.gz QQIMNGRENQVCKA-GOSISDBHSA-N 1 1 315.436 3.584 20 30 DHEDMO C=CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000154772457 338252334 /nfs/dbraw/zinc/25/23/34/338252334.db2.gz OGMIXVGGHUOGPO-UHFFFAOYSA-N 1 1 304.397 3.552 20 30 DHEDMO CC[C@H](C)[C@@H](C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000436244403 338263289 /nfs/dbraw/zinc/26/32/89/338263289.db2.gz YTEYVQUOMVSMLM-LSDHHAIUSA-N 1 1 313.445 3.786 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2C2CCC2)c(OC(F)F)c1 ZINC000437141744 338302539 /nfs/dbraw/zinc/30/25/39/338302539.db2.gz LNHXQOVAHRKQKF-HNNXBMFYSA-N 1 1 306.356 3.924 20 30 DHEDMO C[N@H+](Cc1cccc(F)c1)Cc1ccc(C#N)cc1OC(F)F ZINC000437422526 338309661 /nfs/dbraw/zinc/30/96/61/338309661.db2.gz ZTSYHGPXTPKRRW-UHFFFAOYSA-N 1 1 320.314 3.931 20 30 DHEDMO C[N@@H+](Cc1cccc(F)c1)Cc1ccc(C#N)cc1OC(F)F ZINC000437422526 338309662 /nfs/dbraw/zinc/30/96/62/338309662.db2.gz ZTSYHGPXTPKRRW-UHFFFAOYSA-N 1 1 320.314 3.931 20 30 DHEDMO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437847808 338323314 /nfs/dbraw/zinc/32/33/14/338323314.db2.gz VSXNSDOMEWARGY-GOSISDBHSA-N 1 1 304.478 3.668 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000438086742 338330691 /nfs/dbraw/zinc/33/06/91/338330691.db2.gz UZKNTWRWRTXPBV-KRWDZBQOSA-N 1 1 324.399 3.771 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C(C)C)C1 ZINC000438486382 338345865 /nfs/dbraw/zinc/34/58/65/338345865.db2.gz PELNVWNFNBPHIS-JKSUJKDBSA-N 1 1 320.502 3.629 20 30 DHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000438533254 338347164 /nfs/dbraw/zinc/34/71/64/338347164.db2.gz QISDXNVVFCNZQP-GASCZTMLSA-N 1 1 309.331 3.669 20 30 DHEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000438819509 338352469 /nfs/dbraw/zinc/35/24/69/338352469.db2.gz MSYKQGMRMKBVJP-YJBOKZPZSA-N 1 1 313.445 3.787 20 30 DHEDMO N#Cc1ccc(CN2CCC[N@H+](C3CCCC3)CC2)c(Cl)c1 ZINC000439438901 338369343 /nfs/dbraw/zinc/36/93/43/338369343.db2.gz LRXZRHXIXNXOTL-UHFFFAOYSA-N 1 1 317.864 3.662 20 30 DHEDMO COCC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccco1 ZINC000439441121 338369637 /nfs/dbraw/zinc/36/96/37/338369637.db2.gz PBPNCJUXKWAUSD-HNNXBMFYSA-N 1 1 304.777 3.672 20 30 DHEDMO CSCCC[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000439479903 338370995 /nfs/dbraw/zinc/37/09/95/338370995.db2.gz BCTXFGMURLYLDQ-UHFFFAOYSA-N 1 1 301.377 3.742 20 30 DHEDMO CCOc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1OCC ZINC000450651330 338696035 /nfs/dbraw/zinc/69/60/35/338696035.db2.gz PBQKGMXTMNHOOZ-AWEZNQCLSA-N 1 1 302.418 3.828 20 30 DHEDMO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1Br ZINC000450664148 338696977 /nfs/dbraw/zinc/69/69/77/338696977.db2.gz ULFAXBHHIQCXOF-LLVKDONJSA-N 1 1 323.234 3.802 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CC1CCC(F)(F)CC1 ZINC000459542317 339034960 /nfs/dbraw/zinc/03/49/60/339034960.db2.gz XVEYKJWFLBLCIJ-UHFFFAOYSA-N 1 1 322.399 3.832 20 30 DHEDMO CC1(C)Cc2ccsc2C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000459576727 339036908 /nfs/dbraw/zinc/03/69/08/339036908.db2.gz GXSGPRWVEKSQRF-UHFFFAOYSA-N 1 1 318.486 3.985 20 30 DHEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000459755712 339046436 /nfs/dbraw/zinc/04/64/36/339046436.db2.gz FLWUOXBFBARFGM-MRXNPFEDSA-N 1 1 318.436 3.789 20 30 DHEDMO CC#CCC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000462346337 339076231 /nfs/dbraw/zinc/07/62/31/339076231.db2.gz DGDDMAWDPCZURV-XJKSGUPXSA-N 1 1 322.246 3.624 20 30 DHEDMO CC#CCC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000462346337 339076232 /nfs/dbraw/zinc/07/62/32/339076232.db2.gz DGDDMAWDPCZURV-XJKSGUPXSA-N 1 1 322.246 3.624 20 30 DHEDMO N#Cc1ccc(Cl)cc1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462930042 339098287 /nfs/dbraw/zinc/09/82/87/339098287.db2.gz AURYBZZILCFQRT-MRXNPFEDSA-N 1 1 303.837 3.888 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1nc2ccc(Br)cc2o1 ZINC000463074929 339104312 /nfs/dbraw/zinc/10/43/12/339104312.db2.gz VTDHCLCUFTVORZ-UHFFFAOYSA-N 1 1 309.207 3.988 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC000463191617 339108803 /nfs/dbraw/zinc/10/88/03/339108803.db2.gz IZXJLIHVJIWZHP-TTYHFUOFSA-N 1 1 312.457 3.710 20 30 DHEDMO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)ccc1C#N ZINC000463201981 339109226 /nfs/dbraw/zinc/10/92/26/339109226.db2.gz XARKGJKYGMRSMO-AQNXPRMDSA-N 1 1 312.457 3.772 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000464527755 339144307 /nfs/dbraw/zinc/14/43/07/339144307.db2.gz RQDXEPFWEHTHDD-APWZRJJASA-N 1 1 314.473 3.542 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000466440835 339205143 /nfs/dbraw/zinc/20/51/43/339205143.db2.gz JGLLDZGIXDKGEY-IEBWSBKVSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CCC[N@H+](C)Cc1nnc(-c2ccc(OCCCC)cc2)o1 ZINC000467304406 339230621 /nfs/dbraw/zinc/23/06/21/339230621.db2.gz LYCPEYRFDXDWPR-UHFFFAOYSA-N 1 1 315.417 3.923 20 30 DHEDMO C=CCC[N@H+](C)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000467306247 339230905 /nfs/dbraw/zinc/23/09/05/339230905.db2.gz XDQCJMXWLRFGSF-INIZCTEOSA-N 1 1 308.425 3.663 20 30 DHEDMO C=CCC[N@H+](C)Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000467377987 339235391 /nfs/dbraw/zinc/23/53/91/339235391.db2.gz QKKDXTDTLSOUPF-INIZCTEOSA-N 1 1 309.837 3.906 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000467519124 339240952 /nfs/dbraw/zinc/24/09/52/339240952.db2.gz PRIRUWFAPRGBIL-QUCCMNQESA-N 1 1 314.473 3.542 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H](CCOC)C2)cc1 ZINC000468699432 339269072 /nfs/dbraw/zinc/26/90/72/339269072.db2.gz VLULFOQVQRPJDK-KRWDZBQOSA-N 1 1 303.446 3.890 20 30 DHEDMO CCC[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000469279891 339284957 /nfs/dbraw/zinc/28/49/57/339284957.db2.gz XVPGIXWGDPLSID-KSZLIROESA-N 1 1 316.420 3.723 20 30 DHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000469311262 339285818 /nfs/dbraw/zinc/28/58/18/339285818.db2.gz XHXMODZVNLQXIA-SJLPKXTDSA-N 1 1 314.429 3.530 20 30 DHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000469311262 339285819 /nfs/dbraw/zinc/28/58/19/339285819.db2.gz XHXMODZVNLQXIA-SJLPKXTDSA-N 1 1 314.429 3.530 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c1F ZINC000469469660 339290585 /nfs/dbraw/zinc/29/05/85/339290585.db2.gz YXSBEBXJBOILPL-ZDUSSCGKSA-N 1 1 316.326 3.965 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1F ZINC000469469660 339290586 /nfs/dbraw/zinc/29/05/86/339290586.db2.gz YXSBEBXJBOILPL-ZDUSSCGKSA-N 1 1 316.326 3.965 20 30 DHEDMO C=CCOCCC[N@@H+]1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000470760567 339327018 /nfs/dbraw/zinc/32/70/18/339327018.db2.gz QOHIARNPXHGITJ-SFHVURJKSA-N 1 1 303.446 3.542 20 30 DHEDMO CSc1ccccc1C[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000471005878 339334242 /nfs/dbraw/zinc/33/42/42/339334242.db2.gz LZOASZHHJHICKQ-UHFFFAOYSA-N 1 1 312.438 3.791 20 30 DHEDMO C=CCN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(OC)cc1 ZINC000472751688 339376923 /nfs/dbraw/zinc/37/69/23/339376923.db2.gz NVOIXPRVUSGFCU-GOSISDBHSA-N 1 1 302.462 3.558 20 30 DHEDMO C=CCCC1(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000474211422 339406211 /nfs/dbraw/zinc/40/62/11/339406211.db2.gz NTJSESYKXAPAEF-MRXNPFEDSA-N 1 1 320.864 3.805 20 30 DHEDMO Cc1cc(C[NH2+][C@H](COCC(C)C)c2ccco2)ccc1C#N ZINC000488298757 339776035 /nfs/dbraw/zinc/77/60/35/339776035.db2.gz MSEWUQCFVPUBKL-GOSISDBHSA-N 1 1 312.413 3.963 20 30 DHEDMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCCC(C)(C)C#N ZINC000496404734 340004714 /nfs/dbraw/zinc/00/47/14/340004714.db2.gz WEOKWJIEPSDDJB-GJZGRUSLSA-N 1 1 323.481 3.694 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000499065073 340029000 /nfs/dbraw/zinc/02/90/00/340029000.db2.gz OZPYLGOMCLHDKS-HZPDHXFCSA-N 1 1 320.502 3.916 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000499065073 340029001 /nfs/dbraw/zinc/02/90/01/340029001.db2.gz OZPYLGOMCLHDKS-HZPDHXFCSA-N 1 1 320.502 3.916 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccc(C(C)C)cc2)C1=O ZINC000499584180 340040013 /nfs/dbraw/zinc/04/00/13/340040013.db2.gz REZKMNWRMYCCNK-RTBURBONSA-N 1 1 312.457 3.734 20 30 DHEDMO C=CCC(C)(C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000499624653 340041410 /nfs/dbraw/zinc/04/14/10/340041410.db2.gz CWFDXKZAVZSHNI-SFHVURJKSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2ccc(C(C)(C)C)cc2)C1=O ZINC000499986098 340048210 /nfs/dbraw/zinc/04/82/10/340048210.db2.gz AYQUBWQHEGLMQA-QAPCUYQASA-N 1 1 314.473 3.764 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000501201050 340076124 /nfs/dbraw/zinc/07/61/24/340076124.db2.gz DYTWEAJQKDBUQP-UHFFFAOYSA-N 1 1 324.399 3.913 20 30 DHEDMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000501534529 340082916 /nfs/dbraw/zinc/08/29/16/340082916.db2.gz TYZMTRDDKBLCEE-AWEZNQCLSA-N 1 1 318.848 3.907 20 30 DHEDMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000501534529 340082917 /nfs/dbraw/zinc/08/29/17/340082917.db2.gz TYZMTRDDKBLCEE-AWEZNQCLSA-N 1 1 318.848 3.907 20 30 DHEDMO COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000501534531 340082954 /nfs/dbraw/zinc/08/29/54/340082954.db2.gz TYZMTRDDKBLCEE-CQSZACIVSA-N 1 1 318.848 3.907 20 30 DHEDMO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000501534531 340082955 /nfs/dbraw/zinc/08/29/55/340082955.db2.gz TYZMTRDDKBLCEE-CQSZACIVSA-N 1 1 318.848 3.907 20 30 DHEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000501781074 340088629 /nfs/dbraw/zinc/08/86/29/340088629.db2.gz QKKVDDYAQJCXOO-IBGZPJMESA-N 1 1 306.409 3.644 20 30 DHEDMO CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccncc1 ZINC000502732890 340112614 /nfs/dbraw/zinc/11/26/14/340112614.db2.gz OWBIOVSXFXEBFV-UHFFFAOYSA-N 1 1 318.342 3.974 20 30 DHEDMO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccncc1 ZINC000502732890 340112615 /nfs/dbraw/zinc/11/26/15/340112615.db2.gz OWBIOVSXFXEBFV-UHFFFAOYSA-N 1 1 318.342 3.974 20 30 DHEDMO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000503052043 340119755 /nfs/dbraw/zinc/11/97/55/340119755.db2.gz RCKDBHCZTOQOLT-QGZVFWFLSA-N 1 1 300.402 3.999 20 30 DHEDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000503052043 340119756 /nfs/dbraw/zinc/11/97/56/340119756.db2.gz RCKDBHCZTOQOLT-QGZVFWFLSA-N 1 1 300.402 3.999 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000505016385 340158805 /nfs/dbraw/zinc/15/88/05/340158805.db2.gz GPQUYDZTQABNDK-HNNXBMFYSA-N 1 1 303.450 3.657 20 30 DHEDMO CCC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(C)C ZINC000505783287 340177812 /nfs/dbraw/zinc/17/78/12/340177812.db2.gz LVAIZSDOBYTECX-UHFFFAOYSA-N 1 1 321.852 3.908 20 30 DHEDMO C=CCOc1cccc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2)c1 ZINC000505868026 340180296 /nfs/dbraw/zinc/18/02/96/340180296.db2.gz KCOLPSIORQCZSP-UHFFFAOYSA-N 1 1 324.424 3.630 20 30 DHEDMO C=CCOc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2)c1 ZINC000505868026 340180297 /nfs/dbraw/zinc/18/02/97/340180297.db2.gz KCOLPSIORQCZSP-UHFFFAOYSA-N 1 1 324.424 3.630 20 30 DHEDMO C=C(C)C[N@@H+](CC)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000505869309 340180321 /nfs/dbraw/zinc/18/03/21/340180321.db2.gz XDJGMHAJAPNDOG-UHFFFAOYSA-N 1 1 311.351 3.990 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000505869309 340180322 /nfs/dbraw/zinc/18/03/22/340180322.db2.gz XDJGMHAJAPNDOG-UHFFFAOYSA-N 1 1 311.351 3.990 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000506324898 340192236 /nfs/dbraw/zinc/19/22/36/340192236.db2.gz JTWJCMQQVGYWPL-HXUWFJFHSA-N 1 1 309.409 3.825 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000506324898 340192237 /nfs/dbraw/zinc/19/22/37/340192237.db2.gz JTWJCMQQVGYWPL-HXUWFJFHSA-N 1 1 309.409 3.825 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc(C#N)cc2F)C1 ZINC000506820282 340202231 /nfs/dbraw/zinc/20/22/31/340202231.db2.gz OSYJJNUCPDCKJA-GASCZTMLSA-N 1 1 303.425 3.867 20 30 DHEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(Cl)cc1 ZINC000507132939 340208860 /nfs/dbraw/zinc/20/88/60/340208860.db2.gz XQCWUTQPIPYSQN-UHFFFAOYSA-N 1 1 324.815 3.881 20 30 DHEDMO Cc1ccccc1[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000507184484 340211692 /nfs/dbraw/zinc/21/16/92/340211692.db2.gz SCZZNRVELAXXJZ-GOSISDBHSA-N 1 1 306.409 3.735 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CCO[C@H](CC)C1 ZINC000507774658 340230929 /nfs/dbraw/zinc/23/09/29/340230929.db2.gz JQVDHOQSGIBVAO-ZWKOTPCHSA-N 1 1 303.446 3.888 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000508529489 340245842 /nfs/dbraw/zinc/24/58/42/340245842.db2.gz TWBAEHCHKBMFAU-NHCUHLMSSA-N 1 1 320.436 3.810 20 30 DHEDMO C=CC[N@H+](Cc1ccc2c(c1)NC(=O)CO2)CC1CCCCC1 ZINC000508551264 340246291 /nfs/dbraw/zinc/24/62/91/340246291.db2.gz JRXBDTWOTNINJW-UHFFFAOYSA-N 1 1 314.429 3.586 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000302734794 340280284 /nfs/dbraw/zinc/28/02/84/340280284.db2.gz BLWMVHCDALQLOM-AWEZNQCLSA-N 1 1 304.459 3.635 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000302734794 340280285 /nfs/dbraw/zinc/28/02/85/340280285.db2.gz BLWMVHCDALQLOM-AWEZNQCLSA-N 1 1 304.459 3.635 20 30 DHEDMO C=CCCCC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510128241 340289893 /nfs/dbraw/zinc/28/98/93/340289893.db2.gz AWBQPDYVKVIUIJ-HKUYNNGSSA-N 1 1 314.473 3.760 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510616169 340304006 /nfs/dbraw/zinc/30/40/06/340304006.db2.gz FEZLLSHTXVXNOZ-IBGZPJMESA-N 1 1 314.473 3.556 20 30 DHEDMO C=C(C)CC[N@H+](CCOC)Cc1ccc(Br)s1 ZINC000510761213 340310124 /nfs/dbraw/zinc/31/01/24/340310124.db2.gz FXBYJTITEWEEGM-UHFFFAOYSA-N 1 1 318.280 3.925 20 30 DHEDMO N#Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000511763953 340337681 /nfs/dbraw/zinc/33/76/81/340337681.db2.gz BDHLCAHWHWNFNB-NJDAHSKKSA-N 1 1 318.420 3.563 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2C[C@@H](CC)O[C@@H](C)C2)ccc1OC ZINC000511837742 340339687 /nfs/dbraw/zinc/33/96/87/340339687.db2.gz JCUHVGIYOALXFR-DOTOQJQBSA-N 1 1 319.445 3.649 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2C[C@@H](CC)O[C@@H](C)C2)ccc1OC ZINC000511837742 340339688 /nfs/dbraw/zinc/33/96/88/340339688.db2.gz JCUHVGIYOALXFR-DOTOQJQBSA-N 1 1 319.445 3.649 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc(OC)c1O ZINC000511859894 340340777 /nfs/dbraw/zinc/34/07/77/340340777.db2.gz QDBYTJGRJJNUEU-WBVHZDCISA-N 1 1 301.430 3.894 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1cccc(OC)c1 ZINC000512193510 340351601 /nfs/dbraw/zinc/35/16/01/340351601.db2.gz IDZWTVSAZRNFKD-OAHLLOKOSA-N 1 1 315.413 3.920 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCc2ccc(F)cc21 ZINC000512196726 340351842 /nfs/dbraw/zinc/35/18/42/340351842.db2.gz QVLRLNAMOAEQFW-LJQANCHMSA-N 1 1 315.388 3.977 20 30 DHEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000512405353 340360705 /nfs/dbraw/zinc/36/07/05/340360705.db2.gz YTAKTVDRZOINQS-SFHVURJKSA-N 1 1 324.399 3.913 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C#N)c1F ZINC000512449542 340362342 /nfs/dbraw/zinc/36/23/42/340362342.db2.gz IIESSLOUHNPOEK-UHFFFAOYSA-N 1 1 307.372 3.981 20 30 DHEDMO C[N@H+](CCOc1ccc(Cl)cc1)Cc1cccc(C#N)c1F ZINC000512462103 340362687 /nfs/dbraw/zinc/36/26/87/340362687.db2.gz ILTLXUKDFROXCE-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1cccc(C#N)c1F ZINC000512462103 340362688 /nfs/dbraw/zinc/36/26/88/340362688.db2.gz ILTLXUKDFROXCE-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO COC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000512617968 340369233 /nfs/dbraw/zinc/36/92/33/340369233.db2.gz HDKGEGDJBUADRI-XIKOKIGWSA-N 1 1 316.351 3.875 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512826749 340379526 /nfs/dbraw/zinc/37/95/26/340379526.db2.gz GLOFEDRMHCOTDA-ZDUSSCGKSA-N 1 1 308.372 3.549 20 30 DHEDMO C=C(CC)C[NH2+][C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000539313777 340880520 /nfs/dbraw/zinc/88/05/20/340880520.db2.gz IXOPRSPJOMWSGP-INIZCTEOSA-N 1 1 319.468 3.584 20 30 DHEDMO N#CCC1CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000541921941 340989679 /nfs/dbraw/zinc/98/96/79/340989679.db2.gz WLYILMFCWIFZMX-UHFFFAOYSA-N 1 1 300.299 3.970 20 30 DHEDMO CC[C@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(CC#N)cc1 ZINC000542212022 341000327 /nfs/dbraw/zinc/00/03/27/341000327.db2.gz BYUCJHJTVYKJRA-HNNXBMFYSA-N 1 1 316.445 3.695 20 30 DHEDMO CC[C@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(CC#N)cc1 ZINC000542212022 341000328 /nfs/dbraw/zinc/00/03/28/341000328.db2.gz BYUCJHJTVYKJRA-HNNXBMFYSA-N 1 1 316.445 3.695 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000564253578 341000365 /nfs/dbraw/zinc/00/03/65/341000365.db2.gz UAKOCDRWEFMOCM-YLJYHZDGSA-N 1 1 311.425 3.954 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)CCc1ccccc1 ZINC000542519471 341011727 /nfs/dbraw/zinc/01/17/27/341011727.db2.gz URNDVZUIBBRDQY-KRWDZBQOSA-N 1 1 301.455 3.730 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc(C)c2ccccc2n1 ZINC000542772248 341019801 /nfs/dbraw/zinc/01/98/01/341019801.db2.gz WGJCHHNWWSBEGL-UHFFFAOYSA-N 1 1 307.397 3.762 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1nc(C)c2ccccc2n1 ZINC000542772248 341019802 /nfs/dbraw/zinc/01/98/02/341019802.db2.gz WGJCHHNWWSBEGL-UHFFFAOYSA-N 1 1 307.397 3.762 20 30 DHEDMO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1cccc(C#N)c1 ZINC000130791549 341044851 /nfs/dbraw/zinc/04/48/51/341044851.db2.gz YSTWOBAVNMLPFB-UHFFFAOYSA-N 1 1 302.381 3.580 20 30 DHEDMO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1cccc(C#N)c1 ZINC000130791549 341044852 /nfs/dbraw/zinc/04/48/52/341044852.db2.gz YSTWOBAVNMLPFB-UHFFFAOYSA-N 1 1 302.381 3.580 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cnc(-c2ccccc2)nc1 ZINC000543701995 341054080 /nfs/dbraw/zinc/05/40/80/341054080.db2.gz MCCCLIXATPIIHL-UHFFFAOYSA-N 1 1 319.408 3.967 20 30 DHEDMO C=C(C)C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000544511666 341084639 /nfs/dbraw/zinc/08/46/39/341084639.db2.gz DDQUDYPXHUWJJA-SNVBAGLBSA-N 1 1 322.206 3.726 20 30 DHEDMO C=C(C)C[NH+]1CCC(NC/C=C/c2ccc(F)cc2F)CC1 ZINC000544611046 341088768 /nfs/dbraw/zinc/08/87/68/341088768.db2.gz GGNUADNNFNREQY-ONEGZZNKSA-N 1 1 306.400 3.608 20 30 DHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000544699190 341091400 /nfs/dbraw/zinc/09/14/00/341091400.db2.gz XWNCWZGDYCMIEE-UXHICEINSA-N 1 1 323.436 3.602 20 30 DHEDMO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1(C)C ZINC000544781250 341093694 /nfs/dbraw/zinc/09/36/94/341093694.db2.gz MBAYCVRPYRBVEH-GFCCVEGCSA-N 1 1 319.836 3.518 20 30 DHEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1(C)C ZINC000544781250 341093695 /nfs/dbraw/zinc/09/36/95/341093695.db2.gz MBAYCVRPYRBVEH-GFCCVEGCSA-N 1 1 319.836 3.518 20 30 DHEDMO C[C@H](NC(C)(C)C[NH2+]Cc1cccc(C#N)c1)c1ccccc1 ZINC000074372350 341144810 /nfs/dbraw/zinc/14/48/10/341144810.db2.gz WRNYYEGDSFXJDK-INIZCTEOSA-N 1 1 307.441 3.777 20 30 DHEDMO CCC[N@@H+](CCCSCC#N)[C@@H]1CCc2ccccc2C1 ZINC000074989088 341159030 /nfs/dbraw/zinc/15/90/30/341159030.db2.gz NKUYIBQCZDOEIL-GOSISDBHSA-N 1 1 302.487 3.903 20 30 DHEDMO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc(C#N)c2)[C@H](C)CO1 ZINC000075784564 341182813 /nfs/dbraw/zinc/18/28/13/341182813.db2.gz OHSIUYFVAIJSPX-UZLBHIALSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@H](C)CO1 ZINC000075784564 341182814 /nfs/dbraw/zinc/18/28/14/341182814.db2.gz OHSIUYFVAIJSPX-UZLBHIALSA-N 1 1 306.409 3.829 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000075863849 341186613 /nfs/dbraw/zinc/18/66/13/341186613.db2.gz RJFVLEUGTDMBTM-KRWDZBQOSA-N 1 1 324.399 3.736 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000075863849 341186614 /nfs/dbraw/zinc/18/66/14/341186614.db2.gz RJFVLEUGTDMBTM-KRWDZBQOSA-N 1 1 324.399 3.736 20 30 DHEDMO COc1cc(C[NH2+]C[C@H](C)C#N)ccc1OCc1ccccc1 ZINC000237151352 341208112 /nfs/dbraw/zinc/20/81/12/341208112.db2.gz QVQXKZJXHVYYFW-OAHLLOKOSA-N 1 1 310.397 3.523 20 30 DHEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000134218853 341209773 /nfs/dbraw/zinc/20/97/73/341209773.db2.gz PHCICNKUHFBKBX-ORAYPTAESA-N 1 1 310.372 3.521 20 30 DHEDMO CC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@H](C)c1cccc(O)c1 ZINC000135127975 341231866 /nfs/dbraw/zinc/23/18/66/341231866.db2.gz IDRHOFMAKMZKEB-CQSZACIVSA-N 1 1 310.397 3.856 20 30 DHEDMO CCCC[N@@H+](CC)Cc1cccc(CNc2ccncc2C#N)c1 ZINC000547835706 341236697 /nfs/dbraw/zinc/23/66/97/341236697.db2.gz AKQWWDNUODMGGR-UHFFFAOYSA-N 1 1 322.456 3.609 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCC(C)(C)C#N ZINC000547841208 341236950 /nfs/dbraw/zinc/23/69/50/341236950.db2.gz DYZKIFXYXLOAKZ-PMPSAXMXSA-N 1 1 320.477 3.901 20 30 DHEDMO C=CCOCC[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000549341941 341291670 /nfs/dbraw/zinc/29/16/70/341291670.db2.gz FCHFIXCYEOPQLT-INIZCTEOSA-N 1 1 305.468 3.960 20 30 DHEDMO CCc1cccc(F)c1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000554558299 341457940 /nfs/dbraw/zinc/45/79/40/341457940.db2.gz GPTGSPVUULJUJB-UHFFFAOYSA-N 1 1 323.415 3.840 20 30 DHEDMO COc1cccc(-c2ccc(C[NH2+]C[C@H](C#N)CCC#N)cc2)c1 ZINC000566047870 341546441 /nfs/dbraw/zinc/54/64/41/341546441.db2.gz PTGOKOBFAOIIAA-KRWDZBQOSA-N 1 1 319.408 3.895 20 30 DHEDMO CCCC[N@@H+](C)CC1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000267234110 520399088 /nfs/dbraw/zinc/39/90/88/520399088.db2.gz QOVXYUXBQLIVCC-UHFFFAOYSA-N 1 1 320.868 3.555 20 30 DHEDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2ccc(C#N)cc2)CC1 ZINC000338374478 520550167 /nfs/dbraw/zinc/55/01/67/520550167.db2.gz YLLQYNXWLCJZEZ-UHFFFAOYSA-N 1 1 314.429 3.502 20 30 DHEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCCc2cccnc21 ZINC000365009577 521315988 /nfs/dbraw/zinc/31/59/88/521315988.db2.gz PNAHHEORNKJIDM-GOSISDBHSA-N 1 1 309.388 3.992 20 30 DHEDMO CC[N@@H+](Cc1cnc2ccccn12)[C@@H](C)c1ccc(C#N)cc1 ZINC000157705361 521435247 /nfs/dbraw/zinc/43/52/47/521435247.db2.gz PVGVRUHZUPPTSB-HNNXBMFYSA-N 1 1 304.397 3.789 20 30 DHEDMO CCCn1ccnc1CCC[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000191470507 521662897 /nfs/dbraw/zinc/66/28/97/521662897.db2.gz IHJXWBAPDICAIH-MRXNPFEDSA-N 1 1 310.445 3.790 20 30 DHEDMO CCC[N@@H+](Cc1ccccc1C#N)C[C@H]1COc2ccccc2O1 ZINC000338382575 521686638 /nfs/dbraw/zinc/68/66/38/521686638.db2.gz JIWRGKJWVCYLMR-SFHVURJKSA-N 1 1 322.408 3.610 20 30 DHEDMO CCC[N@H+](Cc1ccccc1C#N)C[C@H]1COc2ccccc2O1 ZINC000338382575 521686642 /nfs/dbraw/zinc/68/66/42/521686642.db2.gz JIWRGKJWVCYLMR-SFHVURJKSA-N 1 1 322.408 3.610 20 30 DHEDMO CCC1(CC)CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000268035386 521687715 /nfs/dbraw/zinc/68/77/15/521687715.db2.gz NMYLDRWYNCHSOZ-UHFFFAOYSA-N 1 1 310.401 3.620 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000157391968 522045166 /nfs/dbraw/zinc/04/51/66/522045166.db2.gz SIDYCIGTYYHOSG-SFHVURJKSA-N 1 1 322.408 3.783 20 30 DHEDMO C[N@@H+](CCCCC(=O)OC(C)(C)C)Cc1cccc(C#N)c1 ZINC000181515509 522728088 /nfs/dbraw/zinc/72/80/88/522728088.db2.gz OVEZHGMSMDBTCN-UHFFFAOYSA-N 1 1 302.418 3.502 20 30 DHEDMO CCc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000007420081 523923121 /nfs/dbraw/zinc/92/31/21/523923121.db2.gz WDODCTMKAHCAGT-OAHLLOKOSA-N 1 1 321.424 3.580 20 30 DHEDMO CCc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000007420081 523923128 /nfs/dbraw/zinc/92/31/28/523923128.db2.gz WDODCTMKAHCAGT-OAHLLOKOSA-N 1 1 321.424 3.580 20 30 DHEDMO C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H](c2ccco2)C1 ZINC000156607558 524290252 /nfs/dbraw/zinc/29/02/52/524290252.db2.gz XSROUTPCOCQAPT-WBAXXEDZSA-N 1 1 310.397 3.658 20 30 DHEDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CCN1C ZINC000180221312 524810359 /nfs/dbraw/zinc/81/03/59/524810359.db2.gz CRLWNFHPVLSASE-JXFKEZNVSA-N 1 1 319.452 3.798 20 30 DHEDMO C[C@H]1C[C@@H](NCc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000180221312 524810371 /nfs/dbraw/zinc/81/03/71/524810371.db2.gz CRLWNFHPVLSASE-JXFKEZNVSA-N 1 1 319.452 3.798 20 30 DHEDMO C[C@H]1C[C@@H](NCc2ccc(-c3ccccc3C#N)cc2)CC[N@H+]1C ZINC000180221312 524810383 /nfs/dbraw/zinc/81/03/83/524810383.db2.gz CRLWNFHPVLSASE-JXFKEZNVSA-N 1 1 319.452 3.798 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000157924868 524813410 /nfs/dbraw/zinc/81/34/10/524813410.db2.gz OFJBYDIYDWTHSG-HNNXBMFYSA-N 1 1 310.372 3.695 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000157986013 524813997 /nfs/dbraw/zinc/81/39/97/524813997.db2.gz IJJDZTYOZMZYFK-HNNXBMFYSA-N 1 1 310.372 3.695 20 30 DHEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(-n2cccn2)c(F)c1 ZINC000339419967 525461684 /nfs/dbraw/zinc/46/16/84/525461684.db2.gz FPDXOFLEIOMDLQ-AWEZNQCLSA-N 1 1 320.371 3.734 20 30 DHEDMO C[C@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)c1ccc(C#N)cc1 ZINC000338352238 525467219 /nfs/dbraw/zinc/46/72/19/525467219.db2.gz IFAPXPKXVJIZMQ-AWEZNQCLSA-N 1 1 320.371 3.734 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(-n2cccn2)c(F)c1 ZINC000339419968 525538098 /nfs/dbraw/zinc/53/80/98/525538098.db2.gz FPDXOFLEIOMDLQ-CQSZACIVSA-N 1 1 320.371 3.734 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000267439528 526704283 /nfs/dbraw/zinc/70/42/83/526704283.db2.gz HMSQIIVYNCPYSC-IRXDYDNUSA-N 1 1 312.438 3.708 20 30 DHEDMO Cc1nc2c(s1)CCC[C@H]2C[N@H+](C)Cc1ccc(C#N)s1 ZINC000373593039 527105222 /nfs/dbraw/zinc/10/52/22/527105222.db2.gz LIKFSHLLPZGGCK-LBPRGKRZSA-N 1 1 317.483 3.937 20 30 DHEDMO Cn1cc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)cc1C#N ZINC000191416530 527205632 /nfs/dbraw/zinc/20/56/32/527205632.db2.gz SVJYJLKFPMCFCT-OAHLLOKOSA-N 1 1 311.454 3.511 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)C1CCCCCC1 ZINC000121662570 536307798 /nfs/dbraw/zinc/30/77/98/536307798.db2.gz SICIVMVPFYMFEU-UHFFFAOYSA-N 1 1 305.447 3.603 20 30 DHEDMO C#CC[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C(C)(C)C ZINC000932461828 1013049074 /nfs/dbraw/zinc/04/90/74/1013049074.db2.gz JKSPNYSSDBRONR-UHFFFAOYSA-N 1 1 314.473 3.536 20 30 DHEDMO C=CCCCC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001209200074 1013082243 /nfs/dbraw/zinc/08/22/43/1013082243.db2.gz AXIHLNHYLYIVGL-JKSUJKDBSA-N 1 1 310.482 3.968 20 30 DHEDMO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C(C)(C)C ZINC000518180027 1013151603 /nfs/dbraw/zinc/15/16/03/1013151603.db2.gz PMCNFXMITSJZDR-CYBMUJFWSA-N 1 1 319.474 3.607 20 30 DHEDMO C=C(CC)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001167130894 1013258542 /nfs/dbraw/zinc/25/85/42/1013258542.db2.gz JJPLBQKEPDSLBE-CABCVRRESA-N 1 1 300.229 3.850 20 30 DHEDMO C=C(CC)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001167130897 1013258864 /nfs/dbraw/zinc/25/88/64/1013258864.db2.gz JJPLBQKEPDSLBE-GJZGRUSLSA-N 1 1 300.229 3.850 20 30 DHEDMO C=CCCCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC001209443978 1013292924 /nfs/dbraw/zinc/29/29/24/1013292924.db2.gz IQBDWYAHIBLSRE-PIIMJCKOSA-N 1 1 306.494 3.606 20 30 DHEDMO C=CCC[C@H](C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000275316495 1013329408 /nfs/dbraw/zinc/32/94/08/1013329408.db2.gz KLVCHWNNYZBLMX-LPHOPBHVSA-N 1 1 312.457 3.503 20 30 DHEDMO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1csc(C#N)c1)C2 ZINC000894553773 1013416482 /nfs/dbraw/zinc/41/64/82/1013416482.db2.gz YCEUKWLCHXQNER-UHFFFAOYSA-N 1 1 310.422 3.676 20 30 DHEDMO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1csc(C#N)c1)C2 ZINC000894553773 1013416490 /nfs/dbraw/zinc/41/64/90/1013416490.db2.gz YCEUKWLCHXQNER-UHFFFAOYSA-N 1 1 310.422 3.676 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000894634390 1013438230 /nfs/dbraw/zinc/43/82/30/1013438230.db2.gz LJMPGSZFWFSLGA-IBGZPJMESA-N 1 1 310.441 3.566 20 30 DHEDMO N#CC1(c2ccccn2)CC[NH+](C/C=C/c2cccc(F)c2)CC1 ZINC000894664509 1013445046 /nfs/dbraw/zinc/44/50/46/1013445046.db2.gz HVNYMBDLCWWGGX-GQCTYLIASA-N 1 1 321.399 3.791 20 30 DHEDMO OCC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCCc2ccccc21 ZINC000440656718 1013603546 /nfs/dbraw/zinc/60/35/46/1013603546.db2.gz ZTFYIIDGNIQGQB-OAQYLSRUSA-N 1 1 323.411 3.549 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](CC)[C@@H](CC)c1ccccc1 ZINC000519909408 1013621871 /nfs/dbraw/zinc/62/18/71/1013621871.db2.gz WHOULRBYVBDJEO-SFHVURJKSA-N 1 1 302.462 3.884 20 30 DHEDMO COCC[N@H+](CC#Cc1ccccc1Cl)Cc1cccs1 ZINC000441139995 1013673645 /nfs/dbraw/zinc/67/36/45/1013673645.db2.gz AMVGNFVMRMVTMX-UHFFFAOYSA-N 1 1 319.857 3.902 20 30 DHEDMO COCC[N@@H+](CC#Cc1ccccc1Cl)Cc1cccs1 ZINC000441139995 1013673649 /nfs/dbraw/zinc/67/36/49/1013673649.db2.gz AMVGNFVMRMVTMX-UHFFFAOYSA-N 1 1 319.857 3.902 20 30 DHEDMO C[N@H+](CC#Cc1ccccc1Cl)Cc1ccc2c(c1)OCO2 ZINC000441174807 1013679387 /nfs/dbraw/zinc/67/93/87/1013679387.db2.gz WTZYWSIUWTZMGS-UHFFFAOYSA-N 1 1 313.784 3.552 20 30 DHEDMO C[N@@H+](CC#Cc1ccccc1Cl)Cc1ccc2c(c1)OCO2 ZINC000441174807 1013679393 /nfs/dbraw/zinc/67/93/93/1013679393.db2.gz WTZYWSIUWTZMGS-UHFFFAOYSA-N 1 1 313.784 3.552 20 30 DHEDMO CCCC[N@H+](C)CC1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000120892326 1013708875 /nfs/dbraw/zinc/70/88/75/1013708875.db2.gz WTIJIESUWAICAT-UHFFFAOYSA-N 1 1 317.452 3.641 20 30 DHEDMO CCCC[N@@H+](C)CC1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000120892326 1013708881 /nfs/dbraw/zinc/70/88/81/1013708881.db2.gz WTIJIESUWAICAT-UHFFFAOYSA-N 1 1 317.452 3.641 20 30 DHEDMO Cc1cccc2c1ncc(C#N)c2N(C)CC[C@H]1CCCC[N@H+]1C ZINC000610282729 1013717803 /nfs/dbraw/zinc/71/78/03/1013717803.db2.gz MOYPGVUCWAHSHY-QGZVFWFLSA-N 1 1 322.456 3.726 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](CC)Cc1ccc(C)cc1 ZINC000441378302 1013730186 /nfs/dbraw/zinc/73/01/86/1013730186.db2.gz MTBFVYPCVNQART-LJQANCHMSA-N 1 1 316.489 3.673 20 30 DHEDMO C#CC[N@H+](Cc1cc(C)c(Br)cn1)C1CCCCC1 ZINC001204496303 1013730768 /nfs/dbraw/zinc/73/07/68/1013730768.db2.gz FIXBAANMQNMJGK-UHFFFAOYSA-N 1 1 321.262 3.920 20 30 DHEDMO C=C(C)COc1cc(C[NH2+][C@@H](C)c2nccs2)ccc1OC ZINC000106250431 1032074151 /nfs/dbraw/zinc/07/41/51/1032074151.db2.gz JNHMAUXWANIJEI-ZDUSSCGKSA-N 1 1 318.442 3.957 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000441407807 1013739984 /nfs/dbraw/zinc/73/99/84/1013739984.db2.gz GNYOQSLNMGEIEF-AWEZNQCLSA-N 1 1 312.388 3.769 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc(Cl)c(C#N)n1 ZINC000067368039 1013791133 /nfs/dbraw/zinc/79/11/33/1013791133.db2.gz APNRQZRRECOHPY-CYBMUJFWSA-N 1 1 306.841 3.673 20 30 DHEDMO CC(C)c1nnc(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)s1 ZINC000328804852 1013796344 /nfs/dbraw/zinc/79/63/44/1013796344.db2.gz HLYAQJOXZGAOFF-NEPJUHHUSA-N 1 1 322.478 3.760 20 30 DHEDMO CC(C)c1nnc(NC(=O)C[N@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)s1 ZINC000328804852 1013796351 /nfs/dbraw/zinc/79/63/51/1013796351.db2.gz HLYAQJOXZGAOFF-NEPJUHHUSA-N 1 1 322.478 3.760 20 30 DHEDMO CCn1ncc2ccc(NC(=O)CC[N@H+]3CCCC[C@@H]3C)cc21 ZINC000328786279 1013799187 /nfs/dbraw/zinc/79/91/87/1013799187.db2.gz ONKRNHNATJJNTI-AWEZNQCLSA-N 1 1 314.433 3.909 20 30 DHEDMO Cc1c(C(=O)NCC[N@H+](C)C2CCCCC2)cnn1C(C)(C)C ZINC000330520973 1013820633 /nfs/dbraw/zinc/82/06/33/1013820633.db2.gz LGRBKOYJKGHAHK-UHFFFAOYSA-N 1 1 320.481 3.516 20 30 DHEDMO CC(C)[N@H+](C)Cc1cccc(CNCc2cc(C#N)cs2)c1 ZINC000177691598 1013979987 /nfs/dbraw/zinc/97/99/87/1013979987.db2.gz GWFZHMCCYLVUEB-UHFFFAOYSA-N 1 1 313.470 3.750 20 30 DHEDMO CC(C)[N@@H+](C)Cc1cccc(CNCc2cc(C#N)cs2)c1 ZINC000177691598 1013979989 /nfs/dbraw/zinc/97/99/89/1013979989.db2.gz GWFZHMCCYLVUEB-UHFFFAOYSA-N 1 1 313.470 3.750 20 30 DHEDMO C[C@H](NC(C)(C)C[NH2+]Cc1cc(C#N)cs1)c1ccccc1 ZINC000177701386 1014001501 /nfs/dbraw/zinc/00/15/01/1014001501.db2.gz DUGKUQHJPUFBNA-AWEZNQCLSA-N 1 1 313.470 3.839 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@H]1C[C@H]1c1ccccc1 ZINC000580087660 1014019448 /nfs/dbraw/zinc/01/94/48/1014019448.db2.gz TVQISTYUASFUSB-RTWAWAEBSA-N 1 1 320.436 3.810 20 30 DHEDMO COCC[N@@H+](Cc1ccccc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000160443417 1014071878 /nfs/dbraw/zinc/07/18/78/1014071878.db2.gz SRAALSWXYOLKBG-QGZVFWFLSA-N 1 1 324.424 3.626 20 30 DHEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1CCCSCC#N ZINC000610409771 1014075668 /nfs/dbraw/zinc/07/56/68/1014075668.db2.gz DWNBEKLBULGYRP-INIZCTEOSA-N 1 1 304.459 3.869 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(OC)c(C#N)c2)cc1C ZINC000135038864 1014081146 /nfs/dbraw/zinc/08/11/46/1014081146.db2.gz LHMVNUCROAMKPW-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO C[N@@H+](CCCCC#N)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000058340392 1025572517 /nfs/dbraw/zinc/57/25/17/1025572517.db2.gz SSVIGQPFNULMOU-UHFFFAOYSA-N 1 1 314.216 3.558 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC001167381804 1014092906 /nfs/dbraw/zinc/09/29/06/1014092906.db2.gz QBRAGAALZVPAQZ-OAQYLSRUSA-N 1 1 322.452 3.819 20 30 DHEDMO CCN1C[C@H](C[N@@H+](C)CCCC(C)(C)C#N)Oc2ccccc21 ZINC000610447505 1014233813 /nfs/dbraw/zinc/23/38/13/1014233813.db2.gz WYWLGWMZMWUSAL-INIZCTEOSA-N 1 1 315.461 3.536 20 30 DHEDMO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC000931259216 1032086481 /nfs/dbraw/zinc/08/64/81/1032086481.db2.gz NNSQCHYWGOBCEH-SFHVURJKSA-N 1 1 309.388 3.860 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](COC)C2)ccc1OC ZINC000093338167 1014342127 /nfs/dbraw/zinc/34/21/27/1014342127.db2.gz CDBIGQWUOAQNOI-QGZVFWFLSA-N 1 1 319.445 3.509 20 30 DHEDMO Cc1ccc(-c2ccccc2C[N@H+]2CC[C@@](O)(CC#N)C2)c(C)c1 ZINC000895109215 1014429008 /nfs/dbraw/zinc/42/90/08/1014429008.db2.gz RPRRWHPSVMOURZ-NRFANRHFSA-N 1 1 320.436 3.821 20 30 DHEDMO C[C@@H]1C[C@@H](NCC2(C#N)CCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168009221 1014485139 /nfs/dbraw/zinc/48/51/39/1014485139.db2.gz ZGVQFDMWFNBWGY-IZZQQSIFSA-N 1 1 311.473 3.711 20 30 DHEDMO C=C1CC[NH+](Cc2c3ccccc3sc2C(=O)OC)CC1 ZINC000520850525 1014598234 /nfs/dbraw/zinc/59/82/34/1014598234.db2.gz QPFKKDIMJUHHRH-UHFFFAOYSA-N 1 1 301.411 3.840 20 30 DHEDMO CC(C)[C@@](C)(C#N)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012697 1014615391 /nfs/dbraw/zinc/61/53/91/1014615391.db2.gz DGNOCFALDHKCAL-PIKOESSRSA-N 1 1 313.489 3.956 20 30 DHEDMO COCC[N@H+](Cc1cc(C#N)ccc1F)[C@H](C)c1ccccc1 ZINC000521220891 1014669787 /nfs/dbraw/zinc/66/97/87/1014669787.db2.gz TWOWWXGSAGRJDG-OAHLLOKOSA-N 1 1 312.388 3.907 20 30 DHEDMO COCC[N@@H+](Cc1cc(C#N)ccc1F)[C@H](C)c1ccccc1 ZINC000521220891 1014669794 /nfs/dbraw/zinc/66/97/94/1014669794.db2.gz TWOWWXGSAGRJDG-OAHLLOKOSA-N 1 1 312.388 3.907 20 30 DHEDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000581356197 1014735756 /nfs/dbraw/zinc/73/57/56/1014735756.db2.gz ANPGSTONEHEXFK-JXFKEZNVSA-N 1 1 320.436 3.818 20 30 DHEDMO COc1cc(C[N@@H+]2CCSC[C@H]2c2ccccc2)ccc1C#N ZINC000442804012 1014740054 /nfs/dbraw/zinc/74/00/54/1014740054.db2.gz VKFCDZMENXLXID-SFHVURJKSA-N 1 1 324.449 3.857 20 30 DHEDMO COc1cc(C[N@H+]2CCSC[C@H]2c2ccccc2)ccc1C#N ZINC000442804012 1014740061 /nfs/dbraw/zinc/74/00/61/1014740061.db2.gz VKFCDZMENXLXID-SFHVURJKSA-N 1 1 324.449 3.857 20 30 DHEDMO COc1cc(C[N@H+](Cc2ccccc2OC)C2CC2)ccc1C#N ZINC000442816755 1014743825 /nfs/dbraw/zinc/74/38/25/1014743825.db2.gz XBDQPNNXHPVAJX-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO CCC1(CC)C[N@@H+](Cc2ccc(C#N)c(OC)c2)CCS1 ZINC000442839564 1014746686 /nfs/dbraw/zinc/74/66/86/1014746686.db2.gz WVGGIXRDRDQAMY-UHFFFAOYSA-N 1 1 304.459 3.674 20 30 DHEDMO COc1ccc(CC[N@@H+](CC(C)C)CC2(C#N)CC2)cc1OC ZINC000347497230 1014749493 /nfs/dbraw/zinc/74/94/93/1014749493.db2.gz YIEOFPPTERVXCC-UHFFFAOYSA-N 1 1 316.445 3.508 20 30 DHEDMO CC[C@H]1CCCCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001167457756 1014767754 /nfs/dbraw/zinc/76/77/54/1014767754.db2.gz JZDVGQSXULPJJT-HNNXBMFYSA-N 1 1 319.836 3.805 20 30 DHEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)ccc1C#N ZINC000442889460 1014765220 /nfs/dbraw/zinc/76/52/20/1014765220.db2.gz KJXSIBRINZUXAM-LBPRGKRZSA-N 1 1 315.442 3.833 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@](C)(c3ccccc3)C2)ccc1C#N ZINC000442893758 1014766845 /nfs/dbraw/zinc/76/68/45/1014766845.db2.gz XZJWSYWLAVIMLL-FQEVSTJZSA-N 1 1 306.409 3.730 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000442894192 1014766860 /nfs/dbraw/zinc/76/68/60/1014766860.db2.gz BNNIFYSQZGIUAS-KXBFYZLASA-N 1 1 316.408 3.916 20 30 DHEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC001167458497 1014781126 /nfs/dbraw/zinc/78/11/26/1014781126.db2.gz VHZLPEXQUZQDTI-QAPCUYQASA-N 1 1 313.445 3.787 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc([N+](=O)[O-])c1 ZINC000187419597 1014995083 /nfs/dbraw/zinc/99/50/83/1014995083.db2.gz VPQFRHOYFQFSLI-LLVKDONJSA-N 1 1 315.760 3.971 20 30 DHEDMO Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(C#N)n1 ZINC000308280734 1015054277 /nfs/dbraw/zinc/05/42/77/1015054277.db2.gz RYIUOYKICDNWTK-SFHVURJKSA-N 1 1 320.440 3.586 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)C[N@H+](CC)C1CC1 ZINC000276404140 1015093916 /nfs/dbraw/zinc/09/39/16/1015093916.db2.gz DSAKYJAXJQIANS-UHFFFAOYSA-N 1 1 300.446 3.961 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000477270705 1015165987 /nfs/dbraw/zinc/16/59/87/1015165987.db2.gz HXTIDLKTSFRUGQ-QZTJIDSGSA-N 1 1 316.470 3.687 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](CN[C@@H](C)c1cnc(C)s1)C(C)C ZINC000090402447 1015178644 /nfs/dbraw/zinc/17/86/44/1015178644.db2.gz MGOOLGWXIJVJOS-GOEBONIOSA-N 1 1 307.507 3.801 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H](CF)C2)cc1OCCCC#N ZINC000895545527 1015198572 /nfs/dbraw/zinc/19/85/72/1015198572.db2.gz GJHIXSGCFUIZOU-MRXNPFEDSA-N 1 1 320.408 3.559 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2OC)C1 ZINC000668492751 1015213129 /nfs/dbraw/zinc/21/31/29/1015213129.db2.gz FOLWQABAOVXLHZ-CQSZACIVSA-N 1 1 305.418 3.501 20 30 DHEDMO C=CC[N@@H+](Cc1oc(-c2ccccc2)nc1C)[C@@H](C)COC ZINC000639784458 1015216739 /nfs/dbraw/zinc/21/67/39/1015216739.db2.gz HNIYNGWAPAMESI-AWEZNQCLSA-N 1 1 300.402 3.673 20 30 DHEDMO C=C(C)C[C@@H]([NH2+]C1CCC(OC2CCCC2)CC1)C(=O)OCC ZINC000895591935 1015223097 /nfs/dbraw/zinc/22/30/97/1015223097.db2.gz ISYPYYKDBIGKNP-VMWRSERWSA-N 1 1 323.477 3.744 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000895835481 1015326666 /nfs/dbraw/zinc/32/66/66/1015326666.db2.gz HMIKXUZJKUNVMN-UHFFFAOYSA-N 1 1 317.326 3.748 20 30 DHEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000337699661 1015369510 /nfs/dbraw/zinc/36/95/10/1015369510.db2.gz DBIJRIGVLJSWBV-MRXNPFEDSA-N 1 1 323.415 3.576 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000051262296 1015394617 /nfs/dbraw/zinc/39/46/17/1015394617.db2.gz HGXQEIKCWKOFSP-MRXNPFEDSA-N 1 1 309.381 3.748 20 30 DHEDMO CC(C)(C#N)C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001143400938 1015428000 /nfs/dbraw/zinc/42/80/00/1015428000.db2.gz AGNRLGAYDHISND-UHFFFAOYSA-N 1 1 319.408 3.691 20 30 DHEDMO CC(C)(C#N)C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001143400938 1015428002 /nfs/dbraw/zinc/42/80/02/1015428002.db2.gz AGNRLGAYDHISND-UHFFFAOYSA-N 1 1 319.408 3.691 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1nccc(C#N)c1Cl ZINC000341549274 1015507361 /nfs/dbraw/zinc/50/73/61/1015507361.db2.gz OUJLLAWWBGCKQI-CYBMUJFWSA-N 1 1 306.841 3.673 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1O ZINC000891675515 1015514894 /nfs/dbraw/zinc/51/48/94/1015514894.db2.gz VMBDVTCFWQYNQQ-UHFFFAOYSA-N 1 1 313.397 3.598 20 30 DHEDMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000329158028 1015649151 /nfs/dbraw/zinc/64/91/51/1015649151.db2.gz DJNAWQATLPLKIL-BXUZGUMPSA-N 1 1 317.389 3.518 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2conc2C2CC2)C1 ZINC000329214253 1015661734 /nfs/dbraw/zinc/66/17/34/1015661734.db2.gz KWNDWDUUXAPBNO-BETUJISGSA-N 1 1 319.449 3.613 20 30 DHEDMO CC[N@H+](Cc1ccoc1)Cc1ccc(C#N)cc1OC(F)F ZINC000610613772 1015670716 /nfs/dbraw/zinc/67/07/16/1015670716.db2.gz JXFFTCWYILMRTN-UHFFFAOYSA-N 1 1 306.312 3.775 20 30 DHEDMO CC[N@@H+](Cc1ccoc1)Cc1ccc(C#N)cc1OC(F)F ZINC000610613772 1015670719 /nfs/dbraw/zinc/67/07/19/1015670719.db2.gz JXFFTCWYILMRTN-UHFFFAOYSA-N 1 1 306.312 3.775 20 30 DHEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1nc2cc(F)ccc2[nH]1 ZINC000329318746 1015682833 /nfs/dbraw/zinc/68/28/33/1015682833.db2.gz IHETZBMIGCUEBE-LBPRGKRZSA-N 1 1 304.369 3.555 20 30 DHEDMO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000329318746 1015682836 /nfs/dbraw/zinc/68/28/36/1015682836.db2.gz IHETZBMIGCUEBE-LBPRGKRZSA-N 1 1 304.369 3.555 20 30 DHEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000329318746 1015682839 /nfs/dbraw/zinc/68/28/39/1015682839.db2.gz IHETZBMIGCUEBE-LBPRGKRZSA-N 1 1 304.369 3.555 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000610657081 1015692393 /nfs/dbraw/zinc/69/23/93/1015692393.db2.gz QHXZGVAKKQNLPP-GASCZTMLSA-N 1 1 308.429 3.530 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000610657081 1015692399 /nfs/dbraw/zinc/69/23/99/1015692399.db2.gz QHXZGVAKKQNLPP-GASCZTMLSA-N 1 1 308.429 3.530 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1C#N ZINC000610657083 1015692697 /nfs/dbraw/zinc/69/26/97/1015692697.db2.gz QHXZGVAKKQNLPP-HUUCEWRRSA-N 1 1 308.429 3.530 20 30 DHEDMO C[N@@H+](CCCC(=O)c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000320217317 1015698488 /nfs/dbraw/zinc/69/84/88/1015698488.db2.gz YRTWBKURGYAVLS-UHFFFAOYSA-N 1 1 310.372 3.792 20 30 DHEDMO CSC[C@H]1CCC[N@H+]1Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000135441675 1015702586 /nfs/dbraw/zinc/70/25/86/1015702586.db2.gz XBSMXGPPEQQVAB-OAHLLOKOSA-N 1 1 313.426 3.541 20 30 DHEDMO Cc1nc(C2CC2)oc1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000329513045 1015724718 /nfs/dbraw/zinc/72/47/18/1015724718.db2.gz LGCTYLAYIRLCQE-GFCCVEGCSA-N 1 1 319.449 3.676 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)ccc1F ZINC000610719641 1015741160 /nfs/dbraw/zinc/74/11/60/1015741160.db2.gz WOFHCQOUTFDBSD-IBGZPJMESA-N 1 1 310.372 3.661 20 30 DHEDMO CC(C)CSCCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341804455 1015742839 /nfs/dbraw/zinc/74/28/39/1015742839.db2.gz BDTVRLGPORBUBF-GOSISDBHSA-N 1 1 318.486 3.711 20 30 DHEDMO CC(C)CSCCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341804455 1015742842 /nfs/dbraw/zinc/74/28/42/1015742842.db2.gz BDTVRLGPORBUBF-GOSISDBHSA-N 1 1 318.486 3.711 20 30 DHEDMO COc1ccc([C@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1C ZINC000896803559 1015745678 /nfs/dbraw/zinc/74/56/78/1015745678.db2.gz LJYJZLUNCFTIRL-LBPRGKRZSA-N 1 1 315.804 3.775 20 30 DHEDMO CC(C)(C)[NH+]1CCC(N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000341826224 1015757081 /nfs/dbraw/zinc/75/70/81/1015757081.db2.gz QJUFHRRTCQVZBR-IBGZPJMESA-N 1 1 311.473 3.788 20 30 DHEDMO C=CCOc1cccc(C[N@H+](Cc2ccccc2)C[C@H](C)O)c1 ZINC000535799703 1015828542 /nfs/dbraw/zinc/82/85/42/1015828542.db2.gz GQNOSDAEKYEAMV-KRWDZBQOSA-N 1 1 311.425 3.634 20 30 DHEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000610812747 1015855069 /nfs/dbraw/zinc/85/50/69/1015855069.db2.gz NGOJPBHICHHVNP-LBPRGKRZSA-N 1 1 313.332 3.765 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)Cc2cc(Cl)cn2C)cc1 ZINC000535825756 1015893662 /nfs/dbraw/zinc/89/36/62/1015893662.db2.gz PVXUCHNBHWCHRH-UHFFFAOYSA-N 1 1 304.821 3.875 20 30 DHEDMO C=CCn1c(=S)n(C[NH+]2C[C@@H]3CCCC[C@H]3C2)nc1C1CC1 ZINC000176190911 1015919945 /nfs/dbraw/zinc/91/99/45/1015919945.db2.gz RUOWWRWPEXIOJH-GJZGRUSLSA-N 1 1 318.490 3.557 20 30 DHEDMO CCC[N@@H+](Cc1ccnc(C#N)c1)[C@H](C)c1ccccc1OC ZINC000610991557 1015992762 /nfs/dbraw/zinc/99/27/62/1015992762.db2.gz MUXLNZDMSBAXFS-OAHLLOKOSA-N 1 1 309.413 3.935 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccnc(C#N)c2)[C@H](C)C2CC2)cc1 ZINC000610991522 1015992985 /nfs/dbraw/zinc/99/29/85/1015992985.db2.gz MIGYRRMORNCFOH-OAHLLOKOSA-N 1 1 321.424 3.763 20 30 DHEDMO CC[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000610993715 1015998590 /nfs/dbraw/zinc/99/85/90/1015998590.db2.gz DFNWSNRTWHVWBY-PXNSSMCTSA-N 1 1 305.425 3.969 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2CCCc2ccccc2)ccn1 ZINC000610993836 1015999023 /nfs/dbraw/zinc/99/90/23/1015999023.db2.gz DMLKWKIKBSEFBY-HXUWFJFHSA-N 1 1 305.425 3.941 20 30 DHEDMO C=CCOC1CCC([N@@H+](C)C2CCN(CCCC)CC2)CC1 ZINC001173325935 1033684711 /nfs/dbraw/zinc/68/47/11/1033684711.db2.gz UESKPNOUYFFAFS-UHFFFAOYSA-N 1 1 308.510 3.697 20 30 DHEDMO C=CCOC1CCC([N@H+](C)C2CCN(CCCC)CC2)CC1 ZINC001173325935 1033684728 /nfs/dbraw/zinc/68/47/28/1033684728.db2.gz UESKPNOUYFFAFS-UHFFFAOYSA-N 1 1 308.510 3.697 20 30 DHEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1csc(C#N)c1)CCC2 ZINC000892036887 1016140614 /nfs/dbraw/zinc/14/06/14/1016140614.db2.gz ZIVIMDCRBYTGNM-AWEZNQCLSA-N 1 1 303.456 3.894 20 30 DHEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1csc(C#N)c1)CCC2 ZINC000892036887 1016140619 /nfs/dbraw/zinc/14/06/19/1016140619.db2.gz ZIVIMDCRBYTGNM-AWEZNQCLSA-N 1 1 303.456 3.894 20 30 DHEDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2OC)c1 ZINC000119653406 1016213934 /nfs/dbraw/zinc/21/39/34/1016213934.db2.gz RVJKEVNPIISLRL-IBGZPJMESA-N 1 1 322.408 3.913 20 30 DHEDMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1cncs1 ZINC000934198785 1016216908 /nfs/dbraw/zinc/21/69/08/1016216908.db2.gz PVHCOXUAPCJLOX-SNVBAGLBSA-N 1 1 307.806 3.550 20 30 DHEDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)nc1 ZINC001140545807 1016313175 /nfs/dbraw/zinc/31/31/75/1016313175.db2.gz LKLCBBCECBEMPF-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C=CCCn1cc(C[NH2+][C@H]2CCC(C)(C)c3ccccc32)nn1 ZINC000657348883 1016402020 /nfs/dbraw/zinc/40/20/20/1016402020.db2.gz KWXQCJVADQDXNQ-SFHVURJKSA-N 1 1 310.445 3.757 20 30 DHEDMO CCCC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000346556155 1016455106 /nfs/dbraw/zinc/45/51/06/1016455106.db2.gz XYIBOVDUJHSVHX-KRWDZBQOSA-N 1 1 315.461 3.671 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cs1 ZINC000892216555 1016472331 /nfs/dbraw/zinc/47/23/31/1016472331.db2.gz NNCVXJJJPYSVGU-DZGCQCFKSA-N 1 1 318.467 3.769 20 30 DHEDMO COc1c(C)cnc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)c1C ZINC000263652453 1016476271 /nfs/dbraw/zinc/47/62/71/1016476271.db2.gz KZUBABXMFWTFQM-OAHLLOKOSA-N 1 1 309.413 3.772 20 30 DHEDMO COc1c(C)c[nH+]c(CN(C)[C@H](C)c2ccc(C#N)cc2)c1C ZINC000263652453 1016476286 /nfs/dbraw/zinc/47/62/86/1016476286.db2.gz KZUBABXMFWTFQM-OAHLLOKOSA-N 1 1 309.413 3.772 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C)c(C#N)c2)nc1 ZINC000934340952 1016479557 /nfs/dbraw/zinc/47/95/57/1016479557.db2.gz FAFODKXYTAWUBZ-LJQANCHMSA-N 1 1 307.397 3.607 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000346996815 1016678869 /nfs/dbraw/zinc/67/88/69/1016678869.db2.gz XQQSOXWQRUBQMD-LJQANCHMSA-N 1 1 307.397 3.559 20 30 DHEDMO CO[C@@H](C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 ZINC000338548244 1016682521 /nfs/dbraw/zinc/68/25/21/1016682521.db2.gz HOXIRLDUDPAGKU-FQEVSTJZSA-N 1 1 306.409 3.910 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C)C2)cc1 ZINC000158261546 1016717801 /nfs/dbraw/zinc/71/78/01/1016717801.db2.gz BUBUESLLAFXUQC-CVEARBPZSA-N 1 1 322.880 3.810 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1ccnn1CCC)c1ccc(F)c(F)c1 ZINC000657438225 1016793360 /nfs/dbraw/zinc/79/33/60/1016793360.db2.gz WYUWJHHATKEJKU-QGZVFWFLSA-N 1 1 305.372 3.978 20 30 DHEDMO COCC[N@@H+](CCC#N)CCCSc1ccccc1Cl ZINC000072689943 1016820961 /nfs/dbraw/zinc/82/09/61/1016820961.db2.gz DYMMWPJYXZRGCQ-UHFFFAOYSA-N 1 1 312.866 3.684 20 30 DHEDMO COCC[N@H+](CCC#N)CCCSc1ccccc1Cl ZINC000072689943 1016820993 /nfs/dbraw/zinc/82/09/93/1016820993.db2.gz DYMMWPJYXZRGCQ-UHFFFAOYSA-N 1 1 312.866 3.684 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CNCc1ccncc1Cl)C(C)C ZINC000623355129 1016990963 /nfs/dbraw/zinc/99/09/63/1016990963.db2.gz AKVWFMHCCDENKB-KRWDZBQOSA-N 1 1 307.869 3.523 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](CNCc1ccncc1Cl)C(C)C ZINC000623355130 1016991217 /nfs/dbraw/zinc/99/12/17/1016991217.db2.gz AKVWFMHCCDENKB-QGZVFWFLSA-N 1 1 307.869 3.523 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000186201416 1017049514 /nfs/dbraw/zinc/04/95/14/1017049514.db2.gz LDUJMEDJDYVEAU-JXFKEZNVSA-N 1 1 306.409 3.829 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000847021836 1032180799 /nfs/dbraw/zinc/18/07/99/1032180799.db2.gz BRLVXNFUFUZADN-ZIAGYGMSSA-N 1 1 313.376 3.590 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000847021836 1032180807 /nfs/dbraw/zinc/18/08/07/1032180807.db2.gz BRLVXNFUFUZADN-ZIAGYGMSSA-N 1 1 313.376 3.590 20 30 DHEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000847025741 1032181724 /nfs/dbraw/zinc/18/17/24/1032181724.db2.gz ONWNZWCXINGIQE-OLZOCXBDSA-N 1 1 315.804 3.796 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000847025741 1032181733 /nfs/dbraw/zinc/18/17/33/1032181733.db2.gz ONWNZWCXINGIQE-OLZOCXBDSA-N 1 1 315.804 3.796 20 30 DHEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCC1CCCCC1 ZINC001275763905 1032182795 /nfs/dbraw/zinc/18/27/95/1032182795.db2.gz SXSPCCANOKBKSB-RTBURBONSA-N 1 1 318.505 3.988 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000847033671 1032185193 /nfs/dbraw/zinc/18/51/93/1032185193.db2.gz ZAXAMAWSDYZQAJ-QWHCGFSZSA-N 1 1 303.356 3.838 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000847033671 1032185199 /nfs/dbraw/zinc/18/51/99/1032185199.db2.gz ZAXAMAWSDYZQAJ-QWHCGFSZSA-N 1 1 303.356 3.838 20 30 DHEDMO Cc1[nH+]ccn1Cc1ccc(Nc2ccc(C#N)c(F)c2)cc1 ZINC001204062309 1032257217 /nfs/dbraw/zinc/25/72/17/1032257217.db2.gz OFJSJAFVRFWTTP-UHFFFAOYSA-N 1 1 306.344 3.994 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@@H](C)CCSC)c1C ZINC000362230541 1032279132 /nfs/dbraw/zinc/27/91/32/1032279132.db2.gz ADQAEQXRLPLBMK-ZDUSSCGKSA-N 1 1 308.491 3.547 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H](C)CCSC)c1C ZINC000362230541 1032279143 /nfs/dbraw/zinc/27/91/43/1032279143.db2.gz ADQAEQXRLPLBMK-ZDUSSCGKSA-N 1 1 308.491 3.547 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccn(C)n2)cc1 ZINC000840815041 1017080386 /nfs/dbraw/zinc/08/03/86/1017080386.db2.gz BJDOFFLUAGXYMC-KBPBESRZSA-N 1 1 319.836 3.963 20 30 DHEDMO CC[N@H+](Cc1cccc(OCc2ccccn2)c1)C[C@@H](C)C#N ZINC000091984206 1032468808 /nfs/dbraw/zinc/46/88/08/1032468808.db2.gz SMLXQERZIFMMAD-INIZCTEOSA-N 1 1 309.413 3.642 20 30 DHEDMO CC[N@@H+](Cc1cccc(OCc2ccccn2)c1)C[C@@H](C)C#N ZINC000091984206 1032468806 /nfs/dbraw/zinc/46/88/06/1032468806.db2.gz SMLXQERZIFMMAD-INIZCTEOSA-N 1 1 309.413 3.642 20 30 DHEDMO N#Cc1cccc(NC(=O)CC[N@@H+](Cc2ccccc2)C2CC2)c1 ZINC000384351544 1017303893 /nfs/dbraw/zinc/30/38/93/1017303893.db2.gz AUSRGNPZSRUCEK-UHFFFAOYSA-N 1 1 319.408 3.551 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccoc2C)cc1OC ZINC000092438668 1032494337 /nfs/dbraw/zinc/49/43/37/1032494337.db2.gz AWXFRSQSGJJGCE-UHFFFAOYSA-N 1 1 301.386 3.793 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)Cc2ccoc2C)cc(OC)c1O ZINC000092438573 1032495211 /nfs/dbraw/zinc/49/52/11/1032495211.db2.gz AJYVOGUWQFIETP-UHFFFAOYSA-N 1 1 301.386 3.663 20 30 DHEDMO C=CC[N@@H+](Cc1c(C)nn(CCC)c1C)Cc1cccc(C#N)c1 ZINC000092504253 1032499547 /nfs/dbraw/zinc/49/95/47/1032499547.db2.gz GGQFJIKPOGOEHS-UHFFFAOYSA-N 1 1 322.456 3.970 20 30 DHEDMO C=CC[N@H+](Cc1c(C)nn(CCC)c1C)Cc1cccc(C#N)c1 ZINC000092504253 1032499549 /nfs/dbraw/zinc/49/95/49/1032499549.db2.gz GGQFJIKPOGOEHS-UHFFFAOYSA-N 1 1 322.456 3.970 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H](C)CC2)cc1OCCCC#N ZINC000092586344 1032504278 /nfs/dbraw/zinc/50/42/78/1032504278.db2.gz IOGJQMHVKMKKQK-MRXNPFEDSA-N 1 1 316.445 4.000 20 30 DHEDMO C=CCOc1ccccc1[C@H](C)Nc1nc2[nH]c(C)cc2c[nH+]1 ZINC001171370674 1032526871 /nfs/dbraw/zinc/52/68/71/1032526871.db2.gz YIBSVEVOSBNEPU-ZDUSSCGKSA-N 1 1 308.385 3.956 20 30 DHEDMO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)CC(C)(C)C ZINC000339291149 1011911534 /nfs/dbraw/zinc/91/15/34/1011911534.db2.gz SQPRPMSZZHQAOW-UHFFFAOYSA-N 1 1 321.852 3.565 20 30 DHEDMO C=CCn1cc(C[NH2+][C@H]2CCCc3ccc(C(C)C)cc32)nn1 ZINC000424297915 1011964282 /nfs/dbraw/zinc/96/42/82/1011964282.db2.gz RIZXQHCIWHSVFC-IBGZPJMESA-N 1 1 310.445 3.755 20 30 DHEDMO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000424319613 1011976219 /nfs/dbraw/zinc/97/62/19/1011976219.db2.gz FFXIGINLSKGHMU-XNTOXWQXSA-N 1 1 323.484 3.711 20 30 DHEDMO C[C@H]([NH2+]Cc1sncc1Br)c1ccc(C#N)cc1 ZINC000711908967 1012223208 /nfs/dbraw/zinc/22/32/08/1012223208.db2.gz DYGSETCKEIAQKX-VIFPVBQESA-N 1 1 322.231 3.628 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H]2CCCc3c(Cl)ccnc32)c(F)c1 ZINC000924980559 1012277562 /nfs/dbraw/zinc/27/75/62/1012277562.db2.gz QRAOZTFLFHRNQJ-INIZCTEOSA-N 1 1 315.779 3.913 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2c(c1)ncn2C ZINC000425365090 1012492656 /nfs/dbraw/zinc/49/26/56/1012492656.db2.gz IRPCRKJHIIVLHY-CQSZACIVSA-N 1 1 304.397 3.638 20 30 DHEDMO Cc1ccc2ncc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)n2c1 ZINC000425368125 1012500594 /nfs/dbraw/zinc/50/05/94/1012500594.db2.gz VXBGFGOAMWKELB-HNNXBMFYSA-N 1 1 304.397 3.707 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000126962787 1012505024 /nfs/dbraw/zinc/50/50/24/1012505024.db2.gz NXPPLCWAMLITTE-AWEZNQCLSA-N 1 1 300.402 3.823 20 30 DHEDMO C=CC[C@@H](C)C(=O)N1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001269959770 1012522450 /nfs/dbraw/zinc/52/24/50/1012522450.db2.gz IXVWPZKAARZFLG-XLIONFOSSA-N 1 1 318.505 3.846 20 30 DHEDMO C=CCOc1ccc(C[N@H+](CC)CCC[NH+]2CCCC2)cc1 ZINC000515332398 1012604487 /nfs/dbraw/zinc/60/44/87/1012604487.db2.gz DFANMRSJRYHNPE-UHFFFAOYSA-N 1 1 302.462 3.559 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000515544070 1012655869 /nfs/dbraw/zinc/65/58/69/1012655869.db2.gz GRIQCZUSNOWFMH-UHFFFAOYSA-N 1 1 322.383 3.865 20 30 DHEDMO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1CC1(C#N)CCC1 ZINC000425472395 1012681891 /nfs/dbraw/zinc/68/18/91/1012681891.db2.gz IWNXQOBSPLZWMB-HNNXBMFYSA-N 1 1 306.450 3.657 20 30 DHEDMO COc1cccc(OCC[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425532742 1012732652 /nfs/dbraw/zinc/73/26/52/1012732652.db2.gz KAQZFHXGOBNBDA-HNNXBMFYSA-N 1 1 310.397 3.639 20 30 DHEDMO CC(=O)Nc1cccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425531234 1012733073 /nfs/dbraw/zinc/73/30/73/1012733073.db2.gz HAUWLVAQLVQNHS-CQSZACIVSA-N 1 1 307.397 3.710 20 30 DHEDMO C[C@@H](C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1)C(F)(F)F ZINC001208890032 1012738684 /nfs/dbraw/zinc/73/86/84/1012738684.db2.gz CILIRYTYHDJOTG-JSGCOSHPSA-N 1 1 312.335 3.600 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000517562347 1013010127 /nfs/dbraw/zinc/01/01/27/1013010127.db2.gz LZMVXIBBSVXEST-HKUYNNGSSA-N 1 1 312.457 3.879 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000517602247 1013023709 /nfs/dbraw/zinc/02/37/09/1013023709.db2.gz DNSJCMXOPZGPLT-KRWDZBQOSA-N 1 1 315.461 3.795 20 30 DHEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccc(OC)c(OC)c1 ZINC000342764662 1017190125 /nfs/dbraw/zinc/19/01/25/1017190125.db2.gz JJCANXMYMCZCEZ-UHFFFAOYSA-N 1 1 324.424 3.792 20 30 DHEDMO COc1ccc(F)cc1[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000179926713 1017325759 /nfs/dbraw/zinc/32/57/59/1017325759.db2.gz NMCSHFKJRPLKAR-ZDUSSCGKSA-N 1 1 301.336 3.676 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2ccc(O)c(F)c2)cc1 ZINC000121306691 1017343519 /nfs/dbraw/zinc/34/35/19/1017343519.db2.gz FVPGIWSGZZGHIK-KRXBUXKQSA-N 1 1 322.339 3.922 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000428359725 1017439155 /nfs/dbraw/zinc/43/91/55/1017439155.db2.gz AOASNEFOBWZMCQ-HXUWFJFHSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000428359725 1017439160 /nfs/dbraw/zinc/43/91/60/1017439160.db2.gz AOASNEFOBWZMCQ-HXUWFJFHSA-N 1 1 324.399 3.569 20 30 DHEDMO C=CCN(CC=C)[C@H](C[NH2+][C@@H](C)c1nc(C)cs1)C(C)C ZINC000623861188 1017537448 /nfs/dbraw/zinc/53/74/48/1017537448.db2.gz RKCDPXJORQQVSK-JKSUJKDBSA-N 1 1 307.507 3.801 20 30 DHEDMO CC(C)[C@H]1CC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000342860896 1017610032 /nfs/dbraw/zinc/61/00/32/1017610032.db2.gz KGGANWKQJMMHJK-GOSISDBHSA-N 1 1 308.429 3.694 20 30 DHEDMO COc1ccc(C[N@H+]2CCC23CCC3)cc1OCCCC#N ZINC000353663557 1017614421 /nfs/dbraw/zinc/61/44/21/1017614421.db2.gz CUTNFDGVRRCCQY-UHFFFAOYSA-N 1 1 300.402 3.506 20 30 DHEDMO CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529852 1017623015 /nfs/dbraw/zinc/62/30/15/1017623015.db2.gz VPAHOCZLTGBNGU-OAHLLOKOSA-N 1 1 321.424 3.580 20 30 DHEDMO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529852 1017623019 /nfs/dbraw/zinc/62/30/19/1017623019.db2.gz VPAHOCZLTGBNGU-OAHLLOKOSA-N 1 1 321.424 3.580 20 30 DHEDMO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)cc1C ZINC000046529568 1017625522 /nfs/dbraw/zinc/62/55/22/1017625522.db2.gz XVZAUEATPXOJGM-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)cc1C ZINC000046529568 1017625532 /nfs/dbraw/zinc/62/55/32/1017625532.db2.gz XVZAUEATPXOJGM-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](C(C)C)C2)c(C#N)c1C ZINC000444775171 1017671406 /nfs/dbraw/zinc/67/14/06/1017671406.db2.gz ZSFCKUBVAUTZGR-CQSZACIVSA-N 1 1 319.474 3.543 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](C(C)C)C2)c(C#N)c1C ZINC000444775171 1017671414 /nfs/dbraw/zinc/67/14/14/1017671414.db2.gz ZSFCKUBVAUTZGR-CQSZACIVSA-N 1 1 319.474 3.543 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2cccc(C(=O)N(C)C)c2)CCCC1(C)C ZINC000444784749 1017680313 /nfs/dbraw/zinc/68/03/13/1017680313.db2.gz OQVFBZMHWRESHD-SFHVURJKSA-N 1 1 314.473 3.955 20 30 DHEDMO CCCC[N@H+](C)CC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000134167165 1017775011 /nfs/dbraw/zinc/77/50/11/1017775011.db2.gz SDSPVSYNLFSBQW-UHFFFAOYSA-N 1 1 305.491 3.564 20 30 DHEDMO CCCC[N@@H+](C)CC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000134167165 1017775022 /nfs/dbraw/zinc/77/50/22/1017775022.db2.gz SDSPVSYNLFSBQW-UHFFFAOYSA-N 1 1 305.491 3.564 20 30 DHEDMO CCCC[N@H+]1CCCC[C@H]1CNc1nc2c(cc1C#N)CCC2 ZINC000523857229 1017815247 /nfs/dbraw/zinc/81/52/47/1017815247.db2.gz JNAQNXBLRAUERU-KRWDZBQOSA-N 1 1 312.461 3.508 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171486624 1032727320 /nfs/dbraw/zinc/72/73/20/1032727320.db2.gz FUNPCWYJYQGDJC-KRWDZBQOSA-N 1 1 312.363 3.826 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000121552356 1017832098 /nfs/dbraw/zinc/83/20/98/1017832098.db2.gz MLORLUGODSMESU-AWEZNQCLSA-N 1 1 312.388 3.769 20 30 DHEDMO Cc1ccc(C[N@@H+](CCO)Cc2ccccc2C(C)(C)C#N)cc1 ZINC000181988890 1017845325 /nfs/dbraw/zinc/84/53/25/1017845325.db2.gz YOUCEUNRQISNPL-UHFFFAOYSA-N 1 1 322.452 3.791 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000171137147 1017871711 /nfs/dbraw/zinc/87/17/11/1017871711.db2.gz HTNJDINNXWENRA-UHFFFAOYSA-N 1 1 315.760 3.752 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000171137147 1017871730 /nfs/dbraw/zinc/87/17/30/1017871730.db2.gz HTNJDINNXWENRA-UHFFFAOYSA-N 1 1 315.760 3.752 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000088715759 1017911090 /nfs/dbraw/zinc/91/10/90/1017911090.db2.gz WZPYVNAIRAVUKF-BEFAXECRSA-N 1 1 323.415 3.622 20 30 DHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000088715759 1017911100 /nfs/dbraw/zinc/91/11/00/1017911100.db2.gz WZPYVNAIRAVUKF-BEFAXECRSA-N 1 1 323.415 3.622 20 30 DHEDMO C=CCC1(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CCCCC1 ZINC001128744090 1018026874 /nfs/dbraw/zinc/02/68/74/1018026874.db2.gz FZOMAJXXQRVSQX-MRXNPFEDSA-N 1 1 306.494 3.750 20 30 DHEDMO Cc1nsc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1C#N ZINC000343072000 1018087827 /nfs/dbraw/zinc/08/78/27/1018087827.db2.gz RUVMLVJETNWPCI-AWEZNQCLSA-N 1 1 304.463 3.532 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)cc1 ZINC000858012284 1032742076 /nfs/dbraw/zinc/74/20/76/1032742076.db2.gz YPJHBFKPZPNYLD-LJQANCHMSA-N 1 1 324.424 3.608 20 30 DHEDMO Cc1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000701831624 1018108923 /nfs/dbraw/zinc/10/89/23/1018108923.db2.gz YQTLYSZRMGAVSQ-UHFFFAOYSA-N 1 1 319.452 3.621 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858016873 1032747228 /nfs/dbraw/zinc/74/72/28/1032747228.db2.gz QXKTVQQDUZHZTC-KRWDZBQOSA-N 1 1 313.445 3.742 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(C)s1 ZINC000114733584 1018190490 /nfs/dbraw/zinc/19/04/90/1018190490.db2.gz LCFHCXMLGPFRGC-OAHLLOKOSA-N 1 1 306.475 3.618 20 30 DHEDMO C=CC[N@H+](CCC(=O)OC(C)C)Cc1ccc(Cl)s1 ZINC000525271045 1018215573 /nfs/dbraw/zinc/21/55/73/1018215573.db2.gz GKTBPZXRVPDVSI-UHFFFAOYSA-N 1 1 301.839 3.731 20 30 DHEDMO COc1ccccc1C[N@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC000446763237 1018240196 /nfs/dbraw/zinc/24/01/96/1018240196.db2.gz USLZUWRDVQSYLQ-UHFFFAOYSA-N 1 1 309.384 3.850 20 30 DHEDMO COc1ccccc1C[N@@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC000446763237 1018240204 /nfs/dbraw/zinc/24/02/04/1018240204.db2.gz USLZUWRDVQSYLQ-UHFFFAOYSA-N 1 1 309.384 3.850 20 30 DHEDMO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1CCCCC(C)(C)C#N ZINC000383076016 1018361768 /nfs/dbraw/zinc/36/17/68/1018361768.db2.gz WZKRCVXNVHPOAT-GOSISDBHSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CCCCC(C)(C)C#N ZINC000383076016 1018361775 /nfs/dbraw/zinc/36/17/75/1018361775.db2.gz WZKRCVXNVHPOAT-GOSISDBHSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@H](c2ccco2)C1 ZINC000246113533 1018406534 /nfs/dbraw/zinc/40/65/34/1018406534.db2.gz XSROUTPCOCQAPT-FHLIZLRMSA-N 1 1 310.397 3.658 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Oc3cccnc3)c(F)c2)o1 ZINC000174305115 1018414936 /nfs/dbraw/zinc/41/49/36/1018414936.db2.gz JXSIEESWEKIVJY-UHFFFAOYSA-N 1 1 323.327 3.767 20 30 DHEDMO CC(C)C[C@H](C)Oc1cc(C[NH2+]Cc2ccc(C#N)o2)ccn1 ZINC000174375260 1018423171 /nfs/dbraw/zinc/42/31/71/1018423171.db2.gz RMKGZGAQDKPTCB-AWEZNQCLSA-N 1 1 313.401 3.649 20 30 DHEDMO C=C1CC[NH+](Cc2ccc(OC)cc2OCc2cccnc2)CC1 ZINC000447734986 1018465177 /nfs/dbraw/zinc/46/51/77/1018465177.db2.gz AVPIOEIJUOKNBT-UHFFFAOYSA-N 1 1 324.424 3.821 20 30 DHEDMO C=C[C@@H](CC(=O)N1CC[C@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000245626367 1018570093 /nfs/dbraw/zinc/57/00/93/1018570093.db2.gz GNBRYYHOQBYSMD-MSOLQXFVSA-N 1 1 314.473 3.537 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1Oc1cccnc1)[C@H](C)COC ZINC000661243313 1018696909 /nfs/dbraw/zinc/69/69/09/1018696909.db2.gz JBGDLYLUWJHLRT-MRXNPFEDSA-N 1 1 312.413 3.897 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429141970 1018711353 /nfs/dbraw/zinc/71/13/53/1018711353.db2.gz MIMVMBHLTWUWTL-ZBFHGGJFSA-N 1 1 311.878 3.834 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000152993268 1018711725 /nfs/dbraw/zinc/71/17/25/1018711725.db2.gz MBVHKSSIMGCTOA-OAHLLOKOSA-N 1 1 317.433 3.594 20 30 DHEDMO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619622800 1018782870 /nfs/dbraw/zinc/78/28/70/1018782870.db2.gz XWGKGDYOGXYRPL-LJQANCHMSA-N 1 1 322.456 3.948 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(C(=O)OC)cc1 ZINC000247854528 1018785707 /nfs/dbraw/zinc/78/57/07/1018785707.db2.gz SVWRIALALAOIOL-UHFFFAOYSA-N 1 1 301.411 3.723 20 30 DHEDMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)CC1CCCCC1 ZINC000073957257 1018897575 /nfs/dbraw/zinc/89/75/75/1018897575.db2.gz NAHBUUACBVAJRW-UHFFFAOYSA-N 1 1 319.836 3.662 20 30 DHEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000921823861 1018913930 /nfs/dbraw/zinc/91/39/30/1018913930.db2.gz AQBBNBBVAASHCO-CYBMUJFWSA-N 1 1 322.412 3.784 20 30 DHEDMO Cc1cc(F)c(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)c(F)c1 ZINC000922947121 1018930563 /nfs/dbraw/zinc/93/05/63/1018930563.db2.gz QNZYYDRQRKNPNV-ZDUSSCGKSA-N 1 1 316.351 3.854 20 30 DHEDMO CC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075747672 1019046912 /nfs/dbraw/zinc/04/69/12/1019046912.db2.gz UURPWZCNOLWCIM-AWEZNQCLSA-N 1 1 310.401 3.620 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000554946400 1019115284 /nfs/dbraw/zinc/11/52/84/1019115284.db2.gz RZHXIUYOVWDHQV-FQEVSTJZSA-N 1 1 304.393 3.528 20 30 DHEDMO C[NH+]1C(C)(C)CC(N[C@@H]2CCc3c2cccc3C#N)CC1(C)C ZINC001171624510 1032808696 /nfs/dbraw/zinc/80/86/96/1032808696.db2.gz UQEROSMXTFLESB-GOSISDBHSA-N 1 1 311.473 3.787 20 30 DHEDMO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000112657587 1019160808 /nfs/dbraw/zinc/16/08/08/1019160808.db2.gz XEOLKFCJPQBEAW-FQEVSTJZSA-N 1 1 308.425 3.577 20 30 DHEDMO C=C(C)[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccc(F)c(F)c1 ZINC001128248623 1019241945 /nfs/dbraw/zinc/24/19/45/1019241945.db2.gz FPJCADKFQRHNBL-IRXDYDNUSA-N 1 1 322.399 3.571 20 30 DHEDMO C=C(C)[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccc(F)c(F)c1 ZINC001128248625 1019242655 /nfs/dbraw/zinc/24/26/55/1019242655.db2.gz FPJCADKFQRHNBL-SJORKVTESA-N 1 1 322.399 3.571 20 30 DHEDMO CC1(C)C[N@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccccc1 ZINC000611264933 1019427251 /nfs/dbraw/zinc/42/72/51/1019427251.db2.gz POMOROWICJGGHC-LJQANCHMSA-N 1 1 316.408 3.789 20 30 DHEDMO CC1(C)C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccccc1 ZINC000611264933 1019427262 /nfs/dbraw/zinc/42/72/62/1019427262.db2.gz POMOROWICJGGHC-LJQANCHMSA-N 1 1 316.408 3.789 20 30 DHEDMO CCC1CC[NH+](Cc2c(C#N)c(C)nn2-c2ccccc2)CC1 ZINC000611346296 1019453884 /nfs/dbraw/zinc/45/38/84/1019453884.db2.gz LRFRXANCWPNKFP-UHFFFAOYSA-N 1 1 308.429 3.674 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](C(C)C)C2)c1C#N ZINC000611347554 1019456922 /nfs/dbraw/zinc/45/69/22/1019456922.db2.gz GFCBDKJSUPVLMR-INIZCTEOSA-N 1 1 308.429 3.530 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1F ZINC000611371868 1019457785 /nfs/dbraw/zinc/45/77/85/1019457785.db2.gz ZYXBSBNSJBKTMJ-KRWDZBQOSA-N 1 1 312.413 3.987 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCS[C@H](c3ccccc3)C2)c1F ZINC000611371868 1019457791 /nfs/dbraw/zinc/45/77/91/1019457791.db2.gz ZYXBSBNSJBKTMJ-KRWDZBQOSA-N 1 1 312.413 3.987 20 30 DHEDMO CC[C@H]1CCCC[N@@H+]1CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611392851 1019468994 /nfs/dbraw/zinc/46/89/94/1019468994.db2.gz PSCDKSGGXGIYIW-ICSRJNTNSA-N 1 1 311.473 3.790 20 30 DHEDMO CC[C@H]1CCCC[N@H+]1CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611392851 1019468999 /nfs/dbraw/zinc/46/89/99/1019468999.db2.gz PSCDKSGGXGIYIW-ICSRJNTNSA-N 1 1 311.473 3.790 20 30 DHEDMO CN(C)C[C@H]([NH2+]Cc1csc(C#N)c1)c1ccc(Cl)cc1 ZINC000922114303 1019471145 /nfs/dbraw/zinc/47/11/45/1019471145.db2.gz MZIQOCCJGIJIIK-INIZCTEOSA-N 1 1 319.861 3.666 20 30 DHEDMO CC1(C)CC(N[C@H]2CCCc3cc(C#N)ccc32)CC(C)(C)[NH2+]1 ZINC000611390326 1019473967 /nfs/dbraw/zinc/47/39/67/1019473967.db2.gz SGRDHRGUCYOTFE-SFHVURJKSA-N 1 1 311.473 3.834 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000091959762 1019496358 /nfs/dbraw/zinc/49/63/58/1019496358.db2.gz JXBDXKNHSUMCQV-LPHOPBHVSA-N 1 1 311.429 3.531 20 30 DHEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC=CCC2)c1 ZINC000611521163 1019507191 /nfs/dbraw/zinc/50/71/91/1019507191.db2.gz LTDNOROZJSZEII-UHFFFAOYSA-N 1 1 304.393 3.899 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)c1 ZINC000114468727 1019511925 /nfs/dbraw/zinc/51/19/25/1019511925.db2.gz ABHRUBNXUWLQRT-HXUWFJFHSA-N 1 1 324.399 3.569 20 30 DHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000611553983 1019514619 /nfs/dbraw/zinc/51/46/19/1019514619.db2.gz AGGDZJKJMWBLID-GXTWGEPZSA-N 1 1 312.335 3.600 20 30 DHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000611555329 1019518628 /nfs/dbraw/zinc/51/86/28/1019518628.db2.gz XNHNLWREPGGFSD-GWCFXTLKSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc(C#N)ccc1F ZINC000611555329 1019518638 /nfs/dbraw/zinc/51/86/38/1019518638.db2.gz XNHNLWREPGGFSD-GWCFXTLKSA-N 1 1 300.299 3.860 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)cc1C#N ZINC000611554539 1019521900 /nfs/dbraw/zinc/52/19/00/1019521900.db2.gz UIJGPUDOSKQRTQ-RISCZKNCSA-N 1 1 312.335 3.730 20 30 DHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3sccc3C#N)c2C1 ZINC000066514158 1019562958 /nfs/dbraw/zinc/56/29/58/1019562958.db2.gz MOVJXHGNLXGHOA-UHFFFAOYSA-N 1 1 311.410 3.598 20 30 DHEDMO CCC[N@H+]1Cc2cccc(NC(=O)c3sccc3C#N)c2C1 ZINC000066514158 1019562971 /nfs/dbraw/zinc/56/29/71/1019562971.db2.gz MOVJXHGNLXGHOA-UHFFFAOYSA-N 1 1 311.410 3.598 20 30 DHEDMO CC(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000114729179 1019575069 /nfs/dbraw/zinc/57/50/69/1019575069.db2.gz GZCMQWAQRBURIY-AWEZNQCLSA-N 1 1 319.474 3.706 20 30 DHEDMO C=CCCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000338663022 1019579284 /nfs/dbraw/zinc/57/92/84/1019579284.db2.gz SJHXQPRHSAMQAY-INIZCTEOSA-N 1 1 300.446 3.643 20 30 DHEDMO C=CCOc1ccc(CNC[C@@H](C)[NH+]2CCCCC2)cc1Cl ZINC000727467267 1019716205 /nfs/dbraw/zinc/71/62/05/1019716205.db2.gz XTYVLBXJVSNKJZ-OAHLLOKOSA-N 1 1 322.880 3.869 20 30 DHEDMO COc1ccccc1C[N@@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000264116339 1032855358 /nfs/dbraw/zinc/85/53/58/1032855358.db2.gz JUXULTPPZNEXTE-UHFFFAOYSA-N 1 1 322.408 3.762 20 30 DHEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(OC)c(C#N)c1 ZINC000179198106 1019835075 /nfs/dbraw/zinc/83/50/75/1019835075.db2.gz RGYJUTFWMVHMCS-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO COCC#CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC001168711380 1019850523 /nfs/dbraw/zinc/85/05/23/1019850523.db2.gz BFNINIAQDUDKFI-VIFPVBQESA-N 1 1 306.620 3.947 20 30 DHEDMO Cc1c(N=NC2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000727973350 1019851632 /nfs/dbraw/zinc/85/16/32/1019851632.db2.gz INEZSBCUTBMLGA-UHFFFAOYSA-N 1 1 324.384 3.577 20 30 DHEDMO N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000317598148 1019993529 /nfs/dbraw/zinc/99/35/29/1019993529.db2.gz RMWBEELVEAXHCD-KBPBESRZSA-N 1 1 309.335 3.616 20 30 DHEDMO CCCCCCCCCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000731123947 1020064050 /nfs/dbraw/zinc/06/40/50/1020064050.db2.gz RHUSDZLJRDTCTQ-QGZVFWFLSA-N 1 1 311.514 3.720 20 30 DHEDMO COc1ccc2c(c1)CCC[N@H+](Cc1ccc(OCC#N)cc1)C2 ZINC000731212747 1020082618 /nfs/dbraw/zinc/08/26/18/1020082618.db2.gz DYPRFNVBVFAQJI-UHFFFAOYSA-N 1 1 322.408 3.546 20 30 DHEDMO C=C(C)COC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000731256549 1020086871 /nfs/dbraw/zinc/08/68/71/1020086871.db2.gz MHDIGKPVAAJCOE-MRXNPFEDSA-N 1 1 317.429 3.673 20 30 DHEDMO N#Cc1csc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000154271560 1020092236 /nfs/dbraw/zinc/09/22/36/1020092236.db2.gz JVQLBNGBCHPXLR-UHFFFAOYSA-N 1 1 313.382 3.693 20 30 DHEDMO N#Cc1csc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000154271560 1020092255 /nfs/dbraw/zinc/09/22/55/1020092255.db2.gz JVQLBNGBCHPXLR-UHFFFAOYSA-N 1 1 313.382 3.693 20 30 DHEDMO C#CC[N@H+]1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC000731483659 1020110236 /nfs/dbraw/zinc/11/02/36/1020110236.db2.gz HYQNUTSWCZGBDM-UHFFFAOYSA-N 1 1 319.408 3.630 20 30 DHEDMO C#CC[N@@H+]1CCc2c(cccc2NC(=O)Nc2ccc(C)cc2)C1 ZINC000731483659 1020110239 /nfs/dbraw/zinc/11/02/39/1020110239.db2.gz HYQNUTSWCZGBDM-UHFFFAOYSA-N 1 1 319.408 3.630 20 30 DHEDMO C=CCC[C@@H](O)CN1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347723047 1020119962 /nfs/dbraw/zinc/11/99/62/1020119962.db2.gz FCLMLRTWJXUCCT-CJNGLKHVSA-N 1 1 319.836 3.680 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347723047 1020119964 /nfs/dbraw/zinc/11/99/64/1020119964.db2.gz FCLMLRTWJXUCCT-CJNGLKHVSA-N 1 1 319.836 3.680 20 30 DHEDMO CSc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000731663423 1020133840 /nfs/dbraw/zinc/13/38/40/1020133840.db2.gz XULQQUNOLGVVEH-UHFFFAOYSA-N 1 1 323.465 3.602 20 30 DHEDMO N#Cc1csc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000093684244 1020166449 /nfs/dbraw/zinc/16/64/49/1020166449.db2.gz WLUCJBSEJBWHEF-INIZCTEOSA-N 1 1 312.438 3.658 20 30 DHEDMO CC[NH+](CC)[C@@H](C(=O)OCc1cccc(C#N)c1)c1ccccc1 ZINC000731907084 1020169445 /nfs/dbraw/zinc/16/94/45/1020169445.db2.gz DYGNFADOSDLJSZ-LJQANCHMSA-N 1 1 322.408 3.685 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000612070189 1020179251 /nfs/dbraw/zinc/17/92/51/1020179251.db2.gz MFEPINZWPBRPOE-FQEVSTJZSA-N 1 1 306.409 3.716 20 30 DHEDMO C=CC1CC[NH+](Cn2ccn(Cc3ccccc3)c2=S)CC1 ZINC000732181381 1020207093 /nfs/dbraw/zinc/20/70/93/1020207093.db2.gz UALYYTVXYFBILE-UHFFFAOYSA-N 1 1 313.470 3.923 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2C[C@@H](C)O[C@H](CC)C2)c1O ZINC000732184999 1020208390 /nfs/dbraw/zinc/20/83/90/1020208390.db2.gz IUMPHJNBFWPLCO-RHSMWYFYSA-N 1 1 319.445 3.519 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H]2C(C)(C)C)c(C#N)c1C ZINC000331168342 1020254854 /nfs/dbraw/zinc/25/48/54/1020254854.db2.gz UMSUWQAKORWTNB-CQSZACIVSA-N 1 1 319.474 3.686 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1 ZINC000667028999 1032889744 /nfs/dbraw/zinc/88/97/44/1032889744.db2.gz MPXPNQVWXJZDCT-KRWDZBQOSA-N 1 1 315.461 3.753 20 30 DHEDMO CC(C)c1ccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000073615510 1020342513 /nfs/dbraw/zinc/34/25/13/1020342513.db2.gz UXBXVMPNOZDZNM-UHFFFAOYSA-N 1 1 321.424 3.752 20 30 DHEDMO CC(C)c1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000073615510 1020342522 /nfs/dbraw/zinc/34/25/22/1020342522.db2.gz UXBXVMPNOZDZNM-UHFFFAOYSA-N 1 1 321.424 3.752 20 30 DHEDMO C#CC[N@@H+](CC(=C)C)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195094 1020343557 /nfs/dbraw/zinc/34/35/57/1020343557.db2.gz CVWVZDYPBYRTBH-HNNXBMFYSA-N 1 1 320.230 3.784 20 30 DHEDMO C#CC[N@H+](CC(=C)C)[C@H]1CCOc2ccc(Br)cc21 ZINC000733195094 1020343565 /nfs/dbraw/zinc/34/35/65/1020343565.db2.gz CVWVZDYPBYRTBH-HNNXBMFYSA-N 1 1 320.230 3.784 20 30 DHEDMO Cc1ccnc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000310264003 1020343856 /nfs/dbraw/zinc/34/38/56/1020343856.db2.gz GXICBPXVMAIDSY-GOSISDBHSA-N 1 1 320.440 3.586 20 30 DHEDMO CC[N@@H+](Cc1cccc(C(=O)OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000125770219 1020347152 /nfs/dbraw/zinc/34/71/52/1020347152.db2.gz IWSIVDQXIPCTEY-OAHLLOKOSA-N 1 1 322.408 3.928 20 30 DHEDMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612164551 1020355617 /nfs/dbraw/zinc/35/56/17/1020355617.db2.gz CILRHGTZCIZSKP-LJQANCHMSA-N 1 1 313.445 3.648 20 30 DHEDMO N#Cc1ccncc1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310515461 1020413595 /nfs/dbraw/zinc/41/35/95/1020413595.db2.gz KUEKDFTWJQUKSN-GOSISDBHSA-N 1 1 320.440 3.667 20 30 DHEDMO N#Cc1ccnc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000310537943 1020435117 /nfs/dbraw/zinc/43/51/17/1020435117.db2.gz PSZMWFYCYGVGRN-IBGZPJMESA-N 1 1 320.440 3.667 20 30 DHEDMO C=CCN(CC=C)[C@@H](C[NH2+][C@H]1CCCc2oc(C)nc21)C(C)C ZINC000924641847 1032901572 /nfs/dbraw/zinc/90/15/72/1032901572.db2.gz DAQZNUCJOGOBCD-IRXDYDNUSA-N 1 1 317.477 3.649 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC001171840487 1032903191 /nfs/dbraw/zinc/90/31/91/1032903191.db2.gz COKCPLKJWSNAJH-GDBMZVCRSA-N 1 1 320.864 3.633 20 30 DHEDMO Cc1nc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)sc1C ZINC000347970984 1020462262 /nfs/dbraw/zinc/46/22/62/1020462262.db2.gz DHTCJEJLWMBAQP-UHFFFAOYSA-N 1 1 309.438 3.921 20 30 DHEDMO Cc1nc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)sc1C ZINC000347970984 1020462270 /nfs/dbraw/zinc/46/22/70/1020462270.db2.gz DHTCJEJLWMBAQP-UHFFFAOYSA-N 1 1 309.438 3.921 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)=O)C1 ZINC001171840962 1032903532 /nfs/dbraw/zinc/90/35/32/1032903532.db2.gz IFDXNRHNORBDGI-GOEBONIOSA-N 1 1 314.429 3.504 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)=O)C1 ZINC001171840962 1032903545 /nfs/dbraw/zinc/90/35/45/1032903545.db2.gz IFDXNRHNORBDGI-GOEBONIOSA-N 1 1 314.429 3.504 20 30 DHEDMO C=CCOCCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000348025643 1020479228 /nfs/dbraw/zinc/47/92/28/1020479228.db2.gz COICNKVBNKAGJD-AZUAARDMSA-N 1 1 316.489 3.564 20 30 DHEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356126413 1020481139 /nfs/dbraw/zinc/48/11/39/1020481139.db2.gz UQOBSPXBDWDODA-NSHDSACASA-N 1 1 305.834 3.731 20 30 DHEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356126413 1020481147 /nfs/dbraw/zinc/48/11/47/1020481147.db2.gz UQOBSPXBDWDODA-NSHDSACASA-N 1 1 305.834 3.731 20 30 DHEDMO C=CCOCCC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000348049627 1020483297 /nfs/dbraw/zinc/48/32/97/1020483297.db2.gz IQWQCGSWQFFIGF-HNNXBMFYSA-N 1 1 320.502 3.794 20 30 DHEDMO C[C@H]1CCN(c2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000301461038 1020513706 /nfs/dbraw/zinc/51/37/06/1020513706.db2.gz UMLVNALRHZQNRN-INIZCTEOSA-N 1 1 323.415 3.798 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+](CC)[C@@H](C)c2cc3ccccc3o2)C1=O ZINC000337146348 1032908480 /nfs/dbraw/zinc/90/84/80/1032908480.db2.gz YGTFDBPHAGIXTH-GOEBONIOSA-N 1 1 312.413 3.603 20 30 DHEDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444652207 1020529444 /nfs/dbraw/zinc/52/94/44/1020529444.db2.gz XEWODSARLXAGQF-MRXNPFEDSA-N 1 1 321.509 3.581 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3Cc4ccccc43)CC2)cc1 ZINC000554241226 1020537441 /nfs/dbraw/zinc/53/74/41/1020537441.db2.gz GDHMQQVBZCFJBK-FQEVSTJZSA-N 1 1 300.405 3.987 20 30 DHEDMO CC#CC(=O)N1CCC[C@@]2(CC[N@H+](C[C@H](CC)CCCC)C2)C1 ZINC001272887994 1020549366 /nfs/dbraw/zinc/54/93/66/1020549366.db2.gz YLWWPOIFZVWVDS-QUCCMNQESA-N 1 1 318.505 3.541 20 30 DHEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC001171882445 1032909902 /nfs/dbraw/zinc/90/99/02/1032909902.db2.gz STGKHGPIJRTSNZ-HNAYVOBHSA-N 1 1 321.509 3.578 20 30 DHEDMO COCC#CC[N@@H+](C)[C@H](C)c1sc(-c2ccccc2)nc1C ZINC000677820502 1020556993 /nfs/dbraw/zinc/55/69/93/1020556993.db2.gz PJXTYKACKAMKCY-OAHLLOKOSA-N 1 1 314.454 3.761 20 30 DHEDMO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2Cl)cc1 ZINC000162875628 1020558504 /nfs/dbraw/zinc/55/85/04/1020558504.db2.gz VLGRQXRZHGZZOC-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2Cl)cc1 ZINC000162875628 1020558508 /nfs/dbraw/zinc/55/85/08/1020558508.db2.gz VLGRQXRZHGZZOC-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000162915622 1020562698 /nfs/dbraw/zinc/56/26/98/1020562698.db2.gz NGBWAPSDHBPSJS-GFCCVEGCSA-N 1 1 302.727 3.986 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000162915622 1020562703 /nfs/dbraw/zinc/56/27/03/1020562703.db2.gz NGBWAPSDHBPSJS-GFCCVEGCSA-N 1 1 302.727 3.986 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1cnccn1 ZINC000091412159 1020563254 /nfs/dbraw/zinc/56/32/54/1020563254.db2.gz BYTGYQSTNCMWPV-HNNXBMFYSA-N 1 1 314.392 3.866 20 30 DHEDMO CCC[N@H+](Cc1noc2c1CCCC2)Cc1ccc(C#N)cc1 ZINC000108854229 1020569417 /nfs/dbraw/zinc/56/94/17/1020569417.db2.gz XZZOTBYBEWJLRU-UHFFFAOYSA-N 1 1 309.413 3.837 20 30 DHEDMO CCC[N@@H+](Cc1noc2c1CCCC2)Cc1ccc(C#N)cc1 ZINC000108854229 1020569424 /nfs/dbraw/zinc/56/94/24/1020569424.db2.gz XZZOTBYBEWJLRU-UHFFFAOYSA-N 1 1 309.413 3.837 20 30 DHEDMO CC[C@](C)(O)C[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000188580462 1020593564 /nfs/dbraw/zinc/59/35/64/1020593564.db2.gz ZCYKKQBCUSWQJL-SFHVURJKSA-N 1 1 314.454 3.783 20 30 DHEDMO CCOc1cc(C[NH2+]CC(C)(C)C#N)ccc1OCC(C)C ZINC000612587973 1020634803 /nfs/dbraw/zinc/63/48/03/1020634803.db2.gz JPAOZLJOJAAYAQ-UHFFFAOYSA-N 1 1 304.434 3.759 20 30 DHEDMO CCCCCCCCCNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000734656080 1020641064 /nfs/dbraw/zinc/64/10/64/1020641064.db2.gz YXVKPCKJCSNQBZ-QGZVFWFLSA-N 1 1 311.514 3.720 20 30 DHEDMO CC[C@H]1Cc2ccccc2C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337207460 1032920130 /nfs/dbraw/zinc/92/01/30/1032920130.db2.gz OQHUNOZTSWNUHS-IBGZPJMESA-N 1 1 312.457 3.924 20 30 DHEDMO C=CC[N@H+](CCc1cccc(OC(F)(F)F)c1)[C@@H](C)COC ZINC001171917519 1032920498 /nfs/dbraw/zinc/92/04/98/1032920498.db2.gz YLGBHACHPUXULU-ZDUSSCGKSA-N 1 1 317.351 3.651 20 30 DHEDMO C=CCCC[N@H+](CC)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000735491663 1020744255 /nfs/dbraw/zinc/74/42/55/1020744255.db2.gz GDVASOZQMWCDAN-UHFFFAOYSA-N 1 1 305.809 3.777 20 30 DHEDMO C[C@@H](c1cccc(NCc2ccccc2C#N)c1)[NH+]1CCOCC1 ZINC000264409511 1032925264 /nfs/dbraw/zinc/92/52/64/1032925264.db2.gz ZAFPQDIJYZWCNL-INIZCTEOSA-N 1 1 321.424 3.564 20 30 DHEDMO C[N@@H+](CCSc1ccccc1C#N)Cc1ccc(F)cc1 ZINC000612998846 1020770199 /nfs/dbraw/zinc/77/01/99/1020770199.db2.gz ZVDVBZURQAPQQB-UHFFFAOYSA-N 1 1 300.402 3.921 20 30 DHEDMO CC[C@@H]1CCC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000738252765 1020869603 /nfs/dbraw/zinc/86/96/03/1020869603.db2.gz AWSXASOLQWZTPE-MRXNPFEDSA-N 1 1 308.429 3.891 20 30 DHEDMO C=CCCCCC[N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000739883547 1020919190 /nfs/dbraw/zinc/91/91/90/1020919190.db2.gz BHZHXLWZSSJQAD-UHFFFAOYSA-N 1 1 302.378 3.580 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)S1 ZINC000582153623 1020927671 /nfs/dbraw/zinc/92/76/71/1020927671.db2.gz CCVTVWQMLAUMEE-PHIMTYICSA-N 1 1 314.376 3.903 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)S1 ZINC000582153623 1020927677 /nfs/dbraw/zinc/92/76/77/1020927677.db2.gz CCVTVWQMLAUMEE-PHIMTYICSA-N 1 1 314.376 3.903 20 30 DHEDMO CC(C)[N@H+]1CCC[C@@H](CNc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613417313 1020946998 /nfs/dbraw/zinc/94/69/98/1020946998.db2.gz OAEUEVQGTFZHRH-HNNXBMFYSA-N 1 1 314.477 3.783 20 30 DHEDMO C[C@H]([NH2+]CC(C)(C)CC#N)c1ncc(Br)cc1F ZINC000414174110 1020962072 /nfs/dbraw/zinc/96/20/72/1020962072.db2.gz XTSXLAGCPQDRCB-VIFPVBQESA-N 1 1 314.202 3.574 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000174877473 1021007369 /nfs/dbraw/zinc/00/73/69/1021007369.db2.gz PSYPHIMILQLACW-SFHVURJKSA-N 1 1 300.446 3.855 20 30 DHEDMO N#Cc1cccc(C[NH+]2CCC(OC3CCC3)CC2)c1Cl ZINC001140808320 1021034577 /nfs/dbraw/zinc/03/45/77/1021034577.db2.gz QSUNBHKGONCGLW-UHFFFAOYSA-N 1 1 304.821 3.745 20 30 DHEDMO C[N@@H+](CCCCC#N)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000102400641 1021059711 /nfs/dbraw/zinc/05/97/11/1021059711.db2.gz QASRDKULCFMOIH-UHFFFAOYSA-N 1 1 314.408 3.774 20 30 DHEDMO COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(OC)cc2C#N)cc1 ZINC001137704879 1021085330 /nfs/dbraw/zinc/08/53/30/1021085330.db2.gz XWJBYHOPPMRGNX-CQSZACIVSA-N 1 1 310.397 3.768 20 30 DHEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(OC)cc2C#N)cc1 ZINC001137704879 1021085341 /nfs/dbraw/zinc/08/53/41/1021085341.db2.gz XWJBYHOPPMRGNX-CQSZACIVSA-N 1 1 310.397 3.768 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1ccc(SC(F)F)cc1)C(C)C ZINC000917167032 1021204549 /nfs/dbraw/zinc/20/45/49/1021204549.db2.gz PJCSZNYJUWKUSH-UHFFFAOYSA-N 1 1 314.401 3.836 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1ccc(SC(F)F)cc1)C(C)C ZINC000917167032 1021204558 /nfs/dbraw/zinc/20/45/58/1021204558.db2.gz PJCSZNYJUWKUSH-UHFFFAOYSA-N 1 1 314.401 3.836 20 30 DHEDMO CC[C@@H](C#N)OC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000181578789 1021258855 /nfs/dbraw/zinc/25/88/55/1021258855.db2.gz PYDYBRNGMWNAHM-IBGZPJMESA-N 1 1 322.408 3.778 20 30 DHEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000091081659 1021261818 /nfs/dbraw/zinc/26/18/18/1021261818.db2.gz OVWRIUAXVKNWJJ-KRWDZBQOSA-N 1 1 313.832 3.869 20 30 DHEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCCSCC1 ZINC000917464370 1021274293 /nfs/dbraw/zinc/27/42/93/1021274293.db2.gz GKFSJQRAZVQTMQ-UHFFFAOYSA-N 1 1 319.499 3.711 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCS[C@H](CC)C2)c1O ZINC000743398506 1021283445 /nfs/dbraw/zinc/28/34/45/1021283445.db2.gz XKVYSNYOCKZNRT-QGZVFWFLSA-N 1 1 321.486 3.847 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000154447549 1021306450 /nfs/dbraw/zinc/30/64/50/1021306450.db2.gz YTSMHUMKNIZCCC-UHFFFAOYSA-N 1 1 305.425 3.595 20 30 DHEDMO C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)C[N@H+]1C1CC1 ZINC000618197821 1021324342 /nfs/dbraw/zinc/32/43/42/1021324342.db2.gz CVHQQRDYDGUCIF-GWCFXTLKSA-N 1 1 309.335 3.614 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@H]2CCN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987708 1032970490 /nfs/dbraw/zinc/97/04/90/1032970490.db2.gz HUBGCDWZZAIIGK-ICSRJNTNSA-N 1 1 310.485 3.775 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000743843487 1021372512 /nfs/dbraw/zinc/37/25/12/1021372512.db2.gz ZEFZQDNLVWCOBP-HXUWFJFHSA-N 1 1 311.400 3.611 20 30 DHEDMO C=C(Br)C[NH+]1CCC(OCC2CCCCC2)CC1 ZINC000743854039 1021382319 /nfs/dbraw/zinc/38/23/19/1021382319.db2.gz KAIVHBUSPJNXTJ-UHFFFAOYSA-N 1 1 316.283 3.956 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H](O)c1ccccc1F ZINC000918025893 1021421933 /nfs/dbraw/zinc/42/19/33/1021421933.db2.gz OPCCJWSPPMSDLR-SFHVURJKSA-N 1 1 303.352 3.686 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)c1ccccc1F ZINC000918025893 1021421941 /nfs/dbraw/zinc/42/19/41/1021421941.db2.gz OPCCJWSPPMSDLR-SFHVURJKSA-N 1 1 303.352 3.686 20 30 DHEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C)c1cccc(C#N)c1 ZINC000189781880 1021440793 /nfs/dbraw/zinc/44/07/93/1021440793.db2.gz ZZJVOCAQHUQXFU-CQSZACIVSA-N 1 1 308.381 3.870 20 30 DHEDMO C[N@H+]1CC[C@H](Nc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000153431942 1021461648 /nfs/dbraw/zinc/46/16/48/1021461648.db2.gz DKSVLQLWNJDARH-ROUUACIJSA-N 1 1 313.351 3.694 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172084375 1032981595 /nfs/dbraw/zinc/98/15/95/1032981595.db2.gz WWLYMGHWJLMPKR-PSWRPDDJSA-N 1 1 322.496 3.917 20 30 DHEDMO C=C[C@H](CC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000556074592 1021512330 /nfs/dbraw/zinc/51/23/30/1021512330.db2.gz DASQTSGYZSVBNO-IEBWSBKVSA-N 1 1 314.473 3.679 20 30 DHEDMO CCSCC[C@H](C)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000744427194 1021538451 /nfs/dbraw/zinc/53/84/51/1021538451.db2.gz UNGFBWCYMIHEDF-HNNXBMFYSA-N 1 1 306.475 3.791 20 30 DHEDMO CCc1ccc(C2=CC[N@@H+](CCCSCC#N)CC2)cc1 ZINC000093263012 1021538700 /nfs/dbraw/zinc/53/87/00/1021538700.db2.gz CUDIENSJKRSCPI-UHFFFAOYSA-N 1 1 300.471 3.985 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)c2nccn2C)cc1 ZINC000850571799 1021614672 /nfs/dbraw/zinc/61/46/72/1021614672.db2.gz AXRFYHGACDHRRP-ZIAGYGMSSA-N 1 1 319.836 3.963 20 30 DHEDMO COCC[N@@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(C#N)cc1 ZINC000619067907 1021628259 /nfs/dbraw/zinc/62/82/59/1021628259.db2.gz BWNZRQSTUKRGQV-UHFFFAOYSA-N 1 1 319.408 3.688 20 30 DHEDMO CCCCCCCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001167717372 1021721011 /nfs/dbraw/zinc/72/10/11/1021721011.db2.gz OUAFEMCGZVISMX-GOSISDBHSA-N 1 1 303.446 3.947 20 30 DHEDMO CCCCCCCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001167717372 1021721018 /nfs/dbraw/zinc/72/10/18/1021721018.db2.gz OUAFEMCGZVISMX-GOSISDBHSA-N 1 1 303.446 3.947 20 30 DHEDMO CC(C)[C@H](CO)[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000128335263 1021734223 /nfs/dbraw/zinc/73/42/23/1021734223.db2.gz SNGRVKITOJBSHW-SFHVURJKSA-N 1 1 314.454 3.639 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000556518070 1021751064 /nfs/dbraw/zinc/75/10/64/1021751064.db2.gz CTUBTUJYQWTION-IRXDYDNUSA-N 1 1 323.358 3.700 20 30 DHEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCCCC(C)(C)C2)c(C#N)c1C ZINC000446072696 1021775871 /nfs/dbraw/zinc/77/58/71/1021775871.db2.gz MYLXPSJNWFZWPR-ZDUSSCGKSA-N 1 1 317.433 3.607 20 30 DHEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCCC(C)(C)C2)c(C#N)c1C ZINC000446072696 1021775887 /nfs/dbraw/zinc/77/58/87/1021775887.db2.gz MYLXPSJNWFZWPR-ZDUSSCGKSA-N 1 1 317.433 3.607 20 30 DHEDMO N#CC1(c2ccccn2)CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000619726308 1021850545 /nfs/dbraw/zinc/85/05/45/1021850545.db2.gz IDYYHIREHWIKMZ-UHFFFAOYSA-N 1 1 316.408 3.620 20 30 DHEDMO CCCCCCCC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000919831682 1021921901 /nfs/dbraw/zinc/92/19/01/1021921901.db2.gz UFYXWDPLFNFKKX-UHFFFAOYSA-N 1 1 322.518 3.795 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CSCCc3ccccc32)CC1 ZINC000153026910 1021929074 /nfs/dbraw/zinc/92/90/74/1021929074.db2.gz WHMYALVTSCZPLO-LJQANCHMSA-N 1 1 316.514 3.647 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1cn(C)nc1CC)c1ccc(F)c(F)c1 ZINC000187371281 1021951822 /nfs/dbraw/zinc/95/18/22/1021951822.db2.gz FPLSIRDMIKWXDF-QGZVFWFLSA-N 1 1 305.372 3.668 20 30 DHEDMO C[C@@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051150534 1021985906 /nfs/dbraw/zinc/98/59/06/1021985906.db2.gz PVSJIRUSDFUFIU-LLVKDONJSA-N 1 1 305.403 3.723 20 30 DHEDMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051150534 1021985922 /nfs/dbraw/zinc/98/59/22/1021985922.db2.gz PVSJIRUSDFUFIU-LLVKDONJSA-N 1 1 305.403 3.723 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000851874498 1022025094 /nfs/dbraw/zinc/02/50/94/1022025094.db2.gz FZEFEBPTJYFCKU-LLVKDONJSA-N 1 1 322.252 3.961 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000851874498 1022025111 /nfs/dbraw/zinc/02/51/11/1022025111.db2.gz FZEFEBPTJYFCKU-LLVKDONJSA-N 1 1 322.252 3.961 20 30 DHEDMO C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172124258 1033025967 /nfs/dbraw/zinc/02/59/67/1033025967.db2.gz KBMDZUKCJCBMJM-RCLSDMTESA-N 1 1 308.469 3.624 20 30 DHEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172124258 1033025974 /nfs/dbraw/zinc/02/59/74/1033025974.db2.gz KBMDZUKCJCBMJM-RCLSDMTESA-N 1 1 308.469 3.624 20 30 DHEDMO Cn1cc[nH+]c1[C@@H]1CCCN([C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000851990168 1022055845 /nfs/dbraw/zinc/05/58/45/1022055845.db2.gz OVIGVIVAJAXLAB-GDBMZVCRSA-N 1 1 314.820 3.518 20 30 DHEDMO COc1cccc(/C=N/[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1O ZINC000920174028 1022074175 /nfs/dbraw/zinc/07/41/75/1022074175.db2.gz IYRGOLMQDPWMAR-FJYDINGNSA-N 1 1 324.424 3.655 20 30 DHEDMO COc1ccc(O)c(/C=N/[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000920175661 1022074303 /nfs/dbraw/zinc/07/43/03/1022074303.db2.gz ZMOIAMGMISPWLF-FJYDINGNSA-N 1 1 324.424 3.655 20 30 DHEDMO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000852099904 1022074575 /nfs/dbraw/zinc/07/45/75/1022074575.db2.gz RFVWYNZQFIXKHP-ZBEGNZNMSA-N 1 1 303.793 3.843 20 30 DHEDMO CCc1cccc(C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852332268 1022108029 /nfs/dbraw/zinc/10/80/29/1022108029.db2.gz PUTDICMEZXEKJJ-HXUWFJFHSA-N 1 1 305.425 3.701 20 30 DHEDMO CCc1cccc(C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852332268 1022108033 /nfs/dbraw/zinc/10/80/33/1022108033.db2.gz PUTDICMEZXEKJJ-HXUWFJFHSA-N 1 1 305.425 3.701 20 30 DHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000852333768 1022110597 /nfs/dbraw/zinc/11/05/97/1022110597.db2.gz UWQDXEVESJCIIJ-ICSRJNTNSA-N 1 1 303.409 3.626 20 30 DHEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC000852333768 1022110603 /nfs/dbraw/zinc/11/06/03/1022110603.db2.gz UWQDXEVESJCIIJ-ICSRJNTNSA-N 1 1 303.409 3.626 20 30 DHEDMO C#CCC[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000920417391 1022116362 /nfs/dbraw/zinc/11/63/62/1022116362.db2.gz DTSDUQKPYPUAPR-UHFFFAOYSA-N 1 1 313.228 3.667 20 30 DHEDMO Cc1cnc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)n1C ZINC000341398214 1022120322 /nfs/dbraw/zinc/12/03/22/1022120322.db2.gz RZUCEFVBOKHXLZ-UHFFFAOYSA-N 1 1 316.408 3.557 20 30 DHEDMO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@@H+]1CCCC(C)(C)C#N ZINC000776604947 1022143036 /nfs/dbraw/zinc/14/30/36/1022143036.db2.gz YMVQIUNQOPZSBO-CABCVRRESA-N 1 1 323.481 3.646 20 30 DHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCC(C)CC1 ZINC000620440283 1022154226 /nfs/dbraw/zinc/15/42/26/1022154226.db2.gz UXIOIAPJYANFOE-KVZIAJEVSA-N 1 1 317.473 3.665 20 30 DHEDMO COc1cccc(C2([NH2+]Cc3ccc(F)cc3C#N)CCC2)c1 ZINC000852694149 1022160586 /nfs/dbraw/zinc/16/05/86/1022160586.db2.gz PECDMNAJWZWSJY-UHFFFAOYSA-N 1 1 310.372 3.875 20 30 DHEDMO C[N@H+](Cc1ccc(OCC#N)cc1)C[C@@H]1CCc2ccccc21 ZINC000852725019 1022167688 /nfs/dbraw/zinc/16/76/88/1022167688.db2.gz SZELPXUOYGQRBD-SFHVURJKSA-N 1 1 306.409 3.751 20 30 DHEDMO C#CCC[N@H+](CCOC)Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC000852748877 1022172799 /nfs/dbraw/zinc/17/27/99/1022172799.db2.gz JQHXTSWGLNOHNN-AWEZNQCLSA-N 1 1 313.363 3.824 20 30 DHEDMO N#Cc1c(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cn2ccccc12 ZINC000337515381 1033041964 /nfs/dbraw/zinc/04/19/64/1033041964.db2.gz URWFWGILYIWNGF-HNNXBMFYSA-N 1 1 319.383 3.940 20 30 DHEDMO C#Cc1cccnc1NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000853375257 1022263635 /nfs/dbraw/zinc/26/36/35/1022263635.db2.gz IDAWUMSQSLNBIU-DOTOQJQBSA-N 1 1 311.454 3.619 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000154001936 1022269520 /nfs/dbraw/zinc/26/95/20/1022269520.db2.gz MUSDTJQLIMZFRG-UHFFFAOYSA-N 1 1 302.422 3.600 20 30 DHEDMO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000925537974 1022276506 /nfs/dbraw/zinc/27/65/06/1022276506.db2.gz NOFAGKWPAJMVRQ-LBPRGKRZSA-N 1 1 300.431 3.623 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@H](CC#N)C2)c1O ZINC000853526735 1022286086 /nfs/dbraw/zinc/28/60/86/1022286086.db2.gz XTGFZSIPTMFHRS-OAHLLOKOSA-N 1 1 314.429 3.645 20 30 DHEDMO CC[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000609625602 1022314623 /nfs/dbraw/zinc/31/46/23/1022314623.db2.gz ARXQQAUBEYFCLH-IBGZPJMESA-N 1 1 319.408 3.506 20 30 DHEDMO CC[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000609625602 1022314637 /nfs/dbraw/zinc/31/46/37/1022314637.db2.gz ARXQQAUBEYFCLH-IBGZPJMESA-N 1 1 319.408 3.506 20 30 DHEDMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)CC(C)(C)CCC#N ZINC000154964780 1022347461 /nfs/dbraw/zinc/34/74/61/1022347461.db2.gz QUFCUDRCDRJFNJ-INIZCTEOSA-N 1 1 316.445 3.628 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000609822894 1022361327 /nfs/dbraw/zinc/36/13/27/1022361327.db2.gz PZVTWQPUGSEXPV-FFZOFVMBSA-N 1 1 317.436 3.687 20 30 DHEDMO Cc1ccsc1C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001204024903 1022371088 /nfs/dbraw/zinc/37/10/88/1022371088.db2.gz QLJBUGLGEMGFTN-QGZVFWFLSA-N 1 1 312.438 3.972 20 30 DHEDMO N#Cc1cc2ccccc2nc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000854000382 1022386707 /nfs/dbraw/zinc/38/67/07/1022386707.db2.gz VUSWHDHESCKZNY-MRXNPFEDSA-N 1 1 320.440 3.640 20 30 DHEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000610001804 1022399336 /nfs/dbraw/zinc/39/93/36/1022399336.db2.gz AECBWAOVYNYRLZ-DLBZAZTESA-N 1 1 319.493 3.572 20 30 DHEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H](C)CC(=O)N(CC)CC ZINC001169477515 1022415753 /nfs/dbraw/zinc/41/57/53/1022415753.db2.gz CNGSDNYTIBDISB-KRWDZBQOSA-N 1 1 302.462 3.712 20 30 DHEDMO CC[N@@H+](Cc1cccc(OC)c1O)[C@H](C)c1ccc(C#N)cc1 ZINC000179463950 1022443196 /nfs/dbraw/zinc/44/31/96/1022443196.db2.gz DOLMIYPYWYLMLM-CQSZACIVSA-N 1 1 310.397 3.856 20 30 DHEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000341479707 1022503315 /nfs/dbraw/zinc/50/33/15/1022503315.db2.gz ZCYPLBJZNNFLLE-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO C#C[C@@](C)(CC)Nc1[nH+]cnc2c1ccn2Cc1ccccc1F ZINC001169692541 1022504423 /nfs/dbraw/zinc/50/44/23/1022504423.db2.gz ODNDTUKNRXSWCM-IBGZPJMESA-N 1 1 322.387 3.833 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2ncccc2O)cc1 ZINC001169736265 1022528427 /nfs/dbraw/zinc/52/84/27/1022528427.db2.gz FZQXYAVFGSWAOE-GOSISDBHSA-N 1 1 309.413 3.722 20 30 DHEDMO C=CC[C@H](Nc1ccc([C@H]2CCC[N@H+]2CC=C)cc1)C(=O)OC ZINC001169844828 1022566006 /nfs/dbraw/zinc/56/60/06/1022566006.db2.gz NJBMBQVDJDGEIO-ZWKOTPCHSA-N 1 1 314.429 3.539 20 30 DHEDMO C=C1CC(c2noc([C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)n2)C1 ZINC000924122265 1022579532 /nfs/dbraw/zinc/57/95/32/1022579532.db2.gz APHPOOQNPFSCSC-PBHICJAKSA-N 1 1 309.413 3.739 20 30 DHEDMO C=CCc1cc(C[NH2+][C@H](C)c2nc(C)cs2)cc(OC)c1O ZINC000113334634 1022635356 /nfs/dbraw/zinc/63/53/56/1022635356.db2.gz DQIILCCZGSHZOL-GFCCVEGCSA-N 1 1 318.442 3.745 20 30 DHEDMO Cc1nc(NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000310285416 1022663770 /nfs/dbraw/zinc/66/37/70/1022663770.db2.gz MBKHBULGEVSQQE-FQEVSTJZSA-N 1 1 320.440 3.586 20 30 DHEDMO CCc1ccccc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000584744165 1022686961 /nfs/dbraw/zinc/68/69/61/1022686961.db2.gz QGQBAOAKCWLJCS-UHFFFAOYSA-N 1 1 308.425 3.769 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001172307473 1033076674 /nfs/dbraw/zinc/07/66/74/1033076674.db2.gz ORABIMRBEDYGPZ-CYBMUJFWSA-N 1 1 311.816 3.596 20 30 DHEDMO CCC[N@@H+](CCc1ccccn1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172311697 1033078020 /nfs/dbraw/zinc/07/80/20/1033078020.db2.gz WBSAPTGPXORBAK-KRWDZBQOSA-N 1 1 307.441 3.839 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](CCN(C)C)Cc1ccccc1 ZINC001172309132 1033078546 /nfs/dbraw/zinc/07/85/46/1033078546.db2.gz RGKIGXNTPYUAQF-SFHVURJKSA-N 1 1 321.468 3.553 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)N(CC[NH+](C)C)Cc1ccccc1 ZINC001172309132 1033078555 /nfs/dbraw/zinc/07/85/55/1033078555.db2.gz RGKIGXNTPYUAQF-SFHVURJKSA-N 1 1 321.468 3.553 20 30 DHEDMO C=C(Cl)C[NH2+]Cc1ccc(OC)cc1OCc1cccnc1 ZINC000767692056 1022784677 /nfs/dbraw/zinc/78/46/77/1022784677.db2.gz VIDUWORRHRTMCT-UHFFFAOYSA-N 1 1 318.804 3.511 20 30 DHEDMO C=CC[C@H](CC)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000538501845 1033083086 /nfs/dbraw/zinc/08/30/86/1033083086.db2.gz IZGYIZPHWIGCIL-BBRMVZONSA-N 1 1 323.868 3.597 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859155472 1033084244 /nfs/dbraw/zinc/08/42/44/1033084244.db2.gz RPHZQDDRUXNMCB-UHFFFAOYSA-N 1 1 323.481 3.505 20 30 DHEDMO C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000617044209 1022836630 /nfs/dbraw/zinc/83/66/30/1022836630.db2.gz KAHFBFOFNNCPLN-BZUAXINKSA-N 1 1 303.450 3.648 20 30 DHEDMO C[C@@H](c1ccco1)[N@H+](Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000092483616 1022887210 /nfs/dbraw/zinc/88/72/10/1022887210.db2.gz VMVRVXGNRZHRDE-ZDUSSCGKSA-N 1 1 306.369 3.525 20 30 DHEDMO C[C@@H](c1ccco1)[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000092483616 1022887229 /nfs/dbraw/zinc/88/72/29/1022887229.db2.gz VMVRVXGNRZHRDE-ZDUSSCGKSA-N 1 1 306.369 3.525 20 30 DHEDMO CCCOc1cc(C[N@H+](CCC#N)CC(C)C)ccc1OC ZINC000768153268 1022903820 /nfs/dbraw/zinc/90/38/20/1022903820.db2.gz BUIRXDGBVLJOTE-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO CCCOc1cc(C[N@@H+](CCC#N)CC(C)C)ccc1OC ZINC000768153268 1022903826 /nfs/dbraw/zinc/90/38/26/1022903826.db2.gz BUIRXDGBVLJOTE-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO Cc1ccc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)cc1C ZINC000768240773 1022925699 /nfs/dbraw/zinc/92/56/99/1022925699.db2.gz FQBLGRHFXPDXIB-UHFFFAOYSA-N 1 1 311.454 3.559 20 30 DHEDMO N#Cc1cccc(C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)c1 ZINC000069173843 1022929014 /nfs/dbraw/zinc/92/90/14/1022929014.db2.gz KQCHPHCCGODLPR-FQEVSTJZSA-N 1 1 317.367 3.972 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000768237927 1022933681 /nfs/dbraw/zinc/93/36/81/1022933681.db2.gz NZCLKSUDAIGMQW-JXFKEZNVSA-N 1 1 322.408 3.551 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000768237927 1022933693 /nfs/dbraw/zinc/93/36/93/1022933693.db2.gz NZCLKSUDAIGMQW-JXFKEZNVSA-N 1 1 322.408 3.551 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000768237937 1022934481 /nfs/dbraw/zinc/93/44/81/1022934481.db2.gz NZCLKSUDAIGMQW-UZLBHIALSA-N 1 1 322.408 3.551 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000768237937 1022934488 /nfs/dbraw/zinc/93/44/88/1022934488.db2.gz NZCLKSUDAIGMQW-UZLBHIALSA-N 1 1 322.408 3.551 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)CCC1 ZINC000931072220 1022962241 /nfs/dbraw/zinc/96/22/41/1022962241.db2.gz HKSGRPDAOOXFSK-ZDUSSCGKSA-N 1 1 304.356 3.504 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCO[C@@H](CC(F)(F)F)C2)CCC1 ZINC000931072220 1022962250 /nfs/dbraw/zinc/96/22/50/1022962250.db2.gz HKSGRPDAOOXFSK-ZDUSSCGKSA-N 1 1 304.356 3.504 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)cc1OCCCC#N ZINC000418138796 1022971759 /nfs/dbraw/zinc/97/17/59/1022971759.db2.gz VBYYSUSETFGONZ-JYJNAYRXSA-N 1 1 316.445 3.854 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)cc1OCCCC#N ZINC000418138789 1022972740 /nfs/dbraw/zinc/97/27/40/1022972740.db2.gz VBYYSUSETFGONZ-ARFHVFGLSA-N 1 1 316.445 3.854 20 30 DHEDMO C[C@H](C#N)C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000167749992 1023045265 /nfs/dbraw/zinc/04/52/65/1023045265.db2.gz PIEDSOMVWHBYSZ-MRVPVSSYSA-N 1 1 310.241 3.973 20 30 DHEDMO C#CCOc1ccc(C[N@H+](CC)[C@@H](C)c2cccc(O)c2)cc1 ZINC000768873988 1023045068 /nfs/dbraw/zinc/04/50/68/1023045068.db2.gz XOEVGYNKRWRHIJ-INIZCTEOSA-N 1 1 309.409 3.987 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1 ZINC000769035357 1023072862 /nfs/dbraw/zinc/07/28/62/1023072862.db2.gz HAHKFQNIUYIXJH-XRELRKQJSA-N 1 1 310.441 3.988 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000081534477 1023089387 /nfs/dbraw/zinc/08/93/87/1023089387.db2.gz OQFRWPYLEGNBGV-UTKZUKDTSA-N 1 1 319.452 3.826 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000081534477 1023089393 /nfs/dbraw/zinc/08/93/93/1023089393.db2.gz OQFRWPYLEGNBGV-UTKZUKDTSA-N 1 1 319.452 3.826 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000081534477 1023089407 /nfs/dbraw/zinc/08/94/07/1023089407.db2.gz OQFRWPYLEGNBGV-UTKZUKDTSA-N 1 1 319.452 3.826 20 30 DHEDMO CC[N@H+](Cc1cccc(C#N)c1F)C[C@@H](O)c1ccc(C)cc1 ZINC000769161971 1023094483 /nfs/dbraw/zinc/09/44/83/1023094483.db2.gz CDLQWMILMNXPJT-GOSISDBHSA-N 1 1 312.388 3.561 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)cc1 ZINC000769308268 1023118079 /nfs/dbraw/zinc/11/80/79/1023118079.db2.gz NXJUSLWRHYEWQY-UTKZUKDTSA-N 1 1 321.420 3.661 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@H]2C)cc1 ZINC000769308268 1023118086 /nfs/dbraw/zinc/11/80/86/1023118086.db2.gz NXJUSLWRHYEWQY-UTKZUKDTSA-N 1 1 321.420 3.661 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000769505781 1023168371 /nfs/dbraw/zinc/16/83/71/1023168371.db2.gz IONBHFIBWPRDNL-QFBILLFUSA-N 1 1 306.409 3.794 20 30 DHEDMO C#CC[N@@H+](Cc1nc2ccc(Cl)cc2n1C)C1CCCC1 ZINC000769529535 1023174332 /nfs/dbraw/zinc/17/43/32/1023174332.db2.gz CCYSJCAVNAVJHC-UHFFFAOYSA-N 1 1 301.821 3.605 20 30 DHEDMO C#CC[N@H+](Cc1nc2ccc(Cl)cc2n1C)C1CCCC1 ZINC000769529535 1023174335 /nfs/dbraw/zinc/17/43/35/1023174335.db2.gz CCYSJCAVNAVJHC-UHFFFAOYSA-N 1 1 301.821 3.605 20 30 DHEDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000769548197 1023177155 /nfs/dbraw/zinc/17/71/55/1023177155.db2.gz HZBQQEAONMBAFJ-RTBURBONSA-N 1 1 306.409 3.972 20 30 DHEDMO Cc1ccc(C[NH2+][C@H](C)c2nc3ccccc3n2C)cc1C#N ZINC000859268290 1033116414 /nfs/dbraw/zinc/11/64/14/1033116414.db2.gz DFXPUBXOZKBJMU-CQSZACIVSA-N 1 1 304.397 3.604 20 30 DHEDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876661339 1033117751 /nfs/dbraw/zinc/11/77/51/1033117751.db2.gz MVBUANWWMJLNHX-HNNXBMFYSA-N 1 1 311.816 3.905 20 30 DHEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001167764838 1023264636 /nfs/dbraw/zinc/26/46/36/1023264636.db2.gz BCRDNDXXQIVILK-DLBZAZTESA-N 1 1 304.409 3.723 20 30 DHEDMO COc1cccc(O)c1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000770381406 1023300270 /nfs/dbraw/zinc/30/02/70/1023300270.db2.gz QXPQSFOPYOUISE-UHFFFAOYSA-N 1 1 320.392 3.562 20 30 DHEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000194863919 1023325986 /nfs/dbraw/zinc/32/59/86/1023325986.db2.gz QXLGVMSKYQDTAD-KXBFYZLASA-N 1 1 314.429 3.530 20 30 DHEDMO C=CC[C@@H]1CC[C@H](Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000651656604 1023424139 /nfs/dbraw/zinc/42/41/39/1023424139.db2.gz JNEDDIQZUYYYBF-APWZRJJASA-N 1 1 300.446 3.676 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660931358 1023438042 /nfs/dbraw/zinc/43/80/42/1023438042.db2.gz OXWAFPKWRZSETR-VYDXJSESSA-N 1 1 318.486 3.526 20 30 DHEDMO C=CC[N@H+](Cn1c2ccccc2nc1SC(F)F)C1CC1 ZINC000771638605 1023459877 /nfs/dbraw/zinc/45/98/77/1023459877.db2.gz BZDBELBTLNJYDK-UHFFFAOYSA-N 1 1 309.385 3.959 20 30 DHEDMO CC[C@@H]1C[N@@H+](C[C@H](C)CCC#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000876762643 1033136775 /nfs/dbraw/zinc/13/67/75/1033136775.db2.gz GDWYJKNYLRIVFL-OAGGEKHMSA-N 1 1 323.481 3.551 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000771938321 1023490926 /nfs/dbraw/zinc/49/09/26/1023490926.db2.gz JRMWCIUQIJQCFM-FQEVSTJZSA-N 1 1 305.425 3.983 20 30 DHEDMO CCc1ccc([C@@H]2CCC[N@@H+](Cc3cc(C#N)ccn3)C2)cc1 ZINC001170038458 1023518008 /nfs/dbraw/zinc/51/80/08/1023518008.db2.gz FHASYPJVMUCMQH-LJQANCHMSA-N 1 1 305.425 3.895 20 30 DHEDMO C#CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CCc2ccccc21 ZINC000772597521 1023577227 /nfs/dbraw/zinc/57/72/27/1023577227.db2.gz GRKIHOPWEUOCGW-IBGZPJMESA-N 1 1 321.420 3.827 20 30 DHEDMO C#CC[N@@H+](Cc1cccc(OC)c1OC)[C@@H]1CCc2ccccc21 ZINC000772600735 1023578731 /nfs/dbraw/zinc/57/87/31/1023578731.db2.gz YAVQIQVIQZBIOP-LJQANCHMSA-N 1 1 321.420 3.827 20 30 DHEDMO C#CC[N@H+](Cc1cccc(OC)c1OC)[C@@H]1CCc2ccccc21 ZINC000772600735 1023578735 /nfs/dbraw/zinc/57/87/35/1023578735.db2.gz YAVQIQVIQZBIOP-LJQANCHMSA-N 1 1 321.420 3.827 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(F)cc2F)C1 ZINC000661378782 1023582623 /nfs/dbraw/zinc/58/26/23/1023582623.db2.gz MAEPFYBUYYTICL-CHWSQXEVSA-N 1 1 308.372 3.580 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(F)cc2F)C1 ZINC000661378782 1023582631 /nfs/dbraw/zinc/58/26/31/1023582631.db2.gz MAEPFYBUYYTICL-CHWSQXEVSA-N 1 1 308.372 3.580 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000661378208 1023583553 /nfs/dbraw/zinc/58/35/53/1023583553.db2.gz AKQCUYIILFSKJM-INIZCTEOSA-N 1 1 311.429 3.957 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000661381367 1023583736 /nfs/dbraw/zinc/58/37/36/1023583736.db2.gz JPPLCUDSHOEETN-MRXNPFEDSA-N 1 1 314.429 3.506 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+](Cc2noc(-c3ccc(OC)cc3)n2)C1 ZINC000661379351 1023584207 /nfs/dbraw/zinc/58/42/07/1023584207.db2.gz XGBSAAHZBLFAAB-AWEZNQCLSA-N 1 1 313.401 3.533 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2noc(-c3ccc(OC)cc3)n2)C1 ZINC000661379351 1023584211 /nfs/dbraw/zinc/58/42/11/1023584211.db2.gz XGBSAAHZBLFAAB-AWEZNQCLSA-N 1 1 313.401 3.533 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000876796017 1033143685 /nfs/dbraw/zinc/14/36/85/1033143685.db2.gz WSNCLJGRHAZBGI-QQFBHYJXSA-N 1 1 323.481 3.694 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000876808669 1033147559 /nfs/dbraw/zinc/14/75/59/1033147559.db2.gz LTHVQSJMMCQEMG-JLSDUUJJSA-N 1 1 304.409 3.653 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000876808671 1033148026 /nfs/dbraw/zinc/14/80/26/1033148026.db2.gz LTHVQSJMMCQEMG-OLMNPRSZSA-N 1 1 304.409 3.653 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@H](OC(C)C)C2)cc(OC)c1O ZINC000651897727 1023622394 /nfs/dbraw/zinc/62/23/94/1023622394.db2.gz JEHSOUKHPLUBSC-KRWDZBQOSA-N 1 1 319.445 3.519 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000785997262 1023650414 /nfs/dbraw/zinc/65/04/14/1023650414.db2.gz KIEJLUYIUNBQCE-HNNXBMFYSA-N 1 1 313.397 3.602 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000538730796 1033152303 /nfs/dbraw/zinc/15/23/03/1033152303.db2.gz PYOURUIIMNFPKD-UHFFFAOYSA-N 1 1 324.380 3.718 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000538730796 1033152311 /nfs/dbraw/zinc/15/23/11/1033152311.db2.gz PYOURUIIMNFPKD-UHFFFAOYSA-N 1 1 324.380 3.718 20 30 DHEDMO C[C@H]1CC(=NOCc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000746575628 1023678473 /nfs/dbraw/zinc/67/84/73/1023678473.db2.gz ABFGJHVZZXSSEK-NSHDSACASA-N 1 1 300.324 3.692 20 30 DHEDMO CC(C)(C#N)CC(=O)OC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000786436140 1023691745 /nfs/dbraw/zinc/69/17/45/1023691745.db2.gz URODUWUZOLMETH-LJQANCHMSA-N 1 1 314.429 3.524 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1OC)C(C)(C)C ZINC000661756301 1023731408 /nfs/dbraw/zinc/73/14/08/1023731408.db2.gz JJELIDVTTJTLQD-HNNXBMFYSA-N 1 1 318.461 3.501 20 30 DHEDMO C=CC[N@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C(C)(C)C ZINC000661760731 1023735128 /nfs/dbraw/zinc/73/51/28/1023735128.db2.gz YFGHZTHCUNWIQV-UHFFFAOYSA-N 1 1 305.809 3.775 20 30 DHEDMO C=CC[N@@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C(C)(C)C ZINC000661760731 1023735132 /nfs/dbraw/zinc/73/51/32/1023735132.db2.gz YFGHZTHCUNWIQV-UHFFFAOYSA-N 1 1 305.809 3.775 20 30 DHEDMO C[C@@H](OC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000786883489 1023738380 /nfs/dbraw/zinc/73/83/80/1023738380.db2.gz RCGFNMZXASNKCL-KDOFPFPSSA-N 1 1 312.413 3.569 20 30 DHEDMO N#CCCC[NH2+]Cc1c(F)c(Cl)ccc1Br ZINC000893515328 1023756988 /nfs/dbraw/zinc/75/69/88/1023756988.db2.gz RYZZWAGXMCPRQM-UHFFFAOYSA-N 1 1 305.578 3.635 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCO[C@@H](c4ccccc4)C3)cc2)CC1 ZINC000596982737 1023758506 /nfs/dbraw/zinc/75/85/06/1023758506.db2.gz HNIHXMVVKCEVEE-HXUWFJFHSA-N 1 1 318.420 3.815 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCO[C@@H](c4ccccc4)C3)cc2)CC1 ZINC000596982737 1023758512 /nfs/dbraw/zinc/75/85/12/1023758512.db2.gz HNIHXMVVKCEVEE-HXUWFJFHSA-N 1 1 318.420 3.815 20 30 DHEDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000093558850 1023774019 /nfs/dbraw/zinc/77/40/19/1023774019.db2.gz SBZIPSIGWHPJSY-OAHLLOKOSA-N 1 1 305.491 3.610 20 30 DHEDMO Cc1nc(F)ccc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000787204723 1023775033 /nfs/dbraw/zinc/77/50/33/1023775033.db2.gz FWHNCDRPMYBETF-UHFFFAOYSA-N 1 1 307.372 3.690 20 30 DHEDMO Cc1nc(F)ccc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000787204723 1023775035 /nfs/dbraw/zinc/77/50/35/1023775035.db2.gz FWHNCDRPMYBETF-UHFFFAOYSA-N 1 1 307.372 3.690 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@@H](C)CCCC(C)C)C2)C1=O ZINC001170076784 1023811520 /nfs/dbraw/zinc/81/15/20/1023811520.db2.gz BCZWZLLZUWRWFS-HKUYNNGSSA-N 1 1 306.494 3.702 20 30 DHEDMO C#CC(C)(C)[N@@H+](C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000787997919 1023837186 /nfs/dbraw/zinc/83/71/86/1023837186.db2.gz FDVYCKQYWAHQRE-UHFFFAOYSA-N 1 1 306.409 3.783 20 30 DHEDMO C#CCC1(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CCCCC1 ZINC000788174632 1023857864 /nfs/dbraw/zinc/85/78/64/1023857864.db2.gz JIUOJSUIIXOXAN-KRWDZBQOSA-N 1 1 318.505 3.587 20 30 DHEDMO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1[C@@H](C)CCCC(C)C ZINC001170083263 1023864647 /nfs/dbraw/zinc/86/46/47/1023864647.db2.gz OGOSLRHQZRRPNW-FUHWJXTLSA-N 1 1 319.493 3.737 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000662080179 1023889175 /nfs/dbraw/zinc/88/91/75/1023889175.db2.gz NTXFLRBHUWWAIM-BNOWGMLFSA-N 1 1 322.811 3.989 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000662080179 1023889184 /nfs/dbraw/zinc/88/91/84/1023889184.db2.gz NTXFLRBHUWWAIM-BNOWGMLFSA-N 1 1 322.811 3.989 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000662080314 1023889277 /nfs/dbraw/zinc/88/92/77/1023889277.db2.gz KGYORUGNKVJUDJ-BETUJISGSA-N 1 1 324.877 3.543 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1c(CC)cccc1CC ZINC000662082450 1023895267 /nfs/dbraw/zinc/89/52/67/1023895267.db2.gz VDRIJLLWEGIXJD-HDICACEKSA-N 1 1 312.457 3.933 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000662086477 1023895543 /nfs/dbraw/zinc/89/55/43/1023895543.db2.gz UBFFTBWYMLWPDT-HRCADAONSA-N 1 1 321.424 3.745 20 30 DHEDMO CC(=[NH+]n1cc(Br)cn1)C1CCC(F)(F)CC1 ZINC000788721729 1023926479 /nfs/dbraw/zinc/92/64/79/1023926479.db2.gz IAFUMNWZTAZXAX-UHFFFAOYSA-N 1 1 306.154 3.695 20 30 DHEDMO C=CCCOCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788685738 1023920243 /nfs/dbraw/zinc/92/02/43/1023920243.db2.gz KTNFHXJMZSLRQT-LLVKDONJSA-N 1 1 303.324 3.654 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859585762 1033176007 /nfs/dbraw/zinc/17/60/07/1033176007.db2.gz BZGWCHXUGOQAHC-UZLBHIALSA-N 1 1 306.409 3.603 20 30 DHEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+]([C@@H](CC)CC(C)C)C2 ZINC001172394953 1033178111 /nfs/dbraw/zinc/17/81/11/1033178111.db2.gz AMENKYAAIAFXGT-HKUYNNGSSA-N 1 1 306.494 3.844 20 30 DHEDMO C=CCCC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000882235433 1024007526 /nfs/dbraw/zinc/00/75/26/1024007526.db2.gz OYHFUVXZBWGDMB-YTQUADARSA-N 1 1 314.473 3.931 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1C ZINC000267173832 1024052463 /nfs/dbraw/zinc/05/24/63/1024052463.db2.gz ALPDOTJYRYBYIU-SFHVURJKSA-N 1 1 311.429 3.639 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1C ZINC000267173832 1024052479 /nfs/dbraw/zinc/05/24/79/1024052479.db2.gz ALPDOTJYRYBYIU-SFHVURJKSA-N 1 1 311.429 3.639 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(CC(C)C)cc2)n1 ZINC000789332203 1024052585 /nfs/dbraw/zinc/05/25/85/1024052585.db2.gz NPMUWSRRGGMVOS-UHFFFAOYSA-N 1 1 309.457 3.737 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(CC(C)C)cc2)n1 ZINC000789332203 1024052595 /nfs/dbraw/zinc/05/25/95/1024052595.db2.gz NPMUWSRRGGMVOS-UHFFFAOYSA-N 1 1 309.457 3.737 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000268638923 1024134707 /nfs/dbraw/zinc/13/47/07/1024134707.db2.gz DBHALXADFSDAOV-ROUUACIJSA-N 1 1 312.800 3.692 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(F)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268620553 1024134794 /nfs/dbraw/zinc/13/47/94/1024134794.db2.gz AFQGETBEAUKBRO-LJQANCHMSA-N 1 1 312.388 3.641 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000268633905 1024135327 /nfs/dbraw/zinc/13/53/27/1024135327.db2.gz LARKJLINJFTOLU-DZGCQCFKSA-N 1 1 302.443 3.760 20 30 DHEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268637195 1024136052 /nfs/dbraw/zinc/13/60/52/1024136052.db2.gz RKRHTBMVIFXOMM-KZULUSFZSA-N 1 1 316.351 3.563 20 30 DHEDMO Cc1ccc(C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C(C)C)s1 ZINC000268644329 1024137409 /nfs/dbraw/zinc/13/74/09/1024137409.db2.gz TXGXIKDFEACNBV-GOSISDBHSA-N 1 1 314.454 3.872 20 30 DHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2nc(C(C)C)c[nH]2)c1 ZINC000883000059 1024203893 /nfs/dbraw/zinc/20/38/93/1024203893.db2.gz KXLYCMAQOBPKFR-HNNXBMFYSA-N 1 1 312.417 3.504 20 30 DHEDMO Cc1cccnc1N=NC1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000790185143 1024238551 /nfs/dbraw/zinc/23/85/51/1024238551.db2.gz CMEDLJNNWKFEBT-MRXNPFEDSA-N 1 1 308.429 3.700 20 30 DHEDMO Cc1cccnc1N=NC1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000790189638 1024239764 /nfs/dbraw/zinc/23/97/64/1024239764.db2.gz BFQYBWBGYGEMJX-HNNXBMFYSA-N 1 1 308.429 3.700 20 30 DHEDMO COc1ccc(C[NH2+]Cc2ncc(C(C)(C)C)s2)cc1C#N ZINC000790477174 1024309941 /nfs/dbraw/zinc/30/99/41/1024309941.db2.gz BVMDKGSXGGVVPS-UHFFFAOYSA-N 1 1 315.442 3.611 20 30 DHEDMO C#CCCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000264952055 1033206461 /nfs/dbraw/zinc/20/64/61/1033206461.db2.gz CAYZTAVWLMQWOO-UHFFFAOYSA-N 1 1 313.445 3.596 20 30 DHEDMO C=CC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccncc1 ZINC000790964720 1024406599 /nfs/dbraw/zinc/40/65/99/1024406599.db2.gz GSASAWJXHJPTDW-CQSZACIVSA-N 1 1 306.768 3.987 20 30 DHEDMO C=CC[C@@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccncc1 ZINC000790964780 1024406997 /nfs/dbraw/zinc/40/69/97/1024406997.db2.gz KMZHHYKLMMYFST-GOSISDBHSA-N 1 1 304.397 3.674 20 30 DHEDMO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000883391069 1024425382 /nfs/dbraw/zinc/42/53/82/1024425382.db2.gz BGHVVODDHUSZJZ-NXEZZACHSA-N 1 1 304.217 3.677 20 30 DHEDMO CCn1nc(C)c(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)c1C ZINC000271071138 1024453192 /nfs/dbraw/zinc/45/31/92/1024453192.db2.gz FGVALEPXCDLTRW-OAHLLOKOSA-N 1 1 310.445 3.975 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000271184453 1024466512 /nfs/dbraw/zinc/46/65/12/1024466512.db2.gz MRCBUGBWHSYTCB-UHFFFAOYSA-N 1 1 301.430 3.644 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000453352267 1024476802 /nfs/dbraw/zinc/47/68/02/1024476802.db2.gz HLAWFQFJTHWXCS-VQTJNVASSA-N 1 1 310.441 3.828 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000791471703 1024507606 /nfs/dbraw/zinc/50/76/06/1024507606.db2.gz VNBMWUGAYIMDHP-HXUWFJFHSA-N 1 1 310.441 3.615 20 30 DHEDMO C=CC[NH2+][C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000532047981 1024528371 /nfs/dbraw/zinc/52/83/71/1024528371.db2.gz AKJHURLFHOGKCU-GOSISDBHSA-N 1 1 315.800 3.976 20 30 DHEDMO C[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1cccc(C#N)c1 ZINC000181985790 1024529096 /nfs/dbraw/zinc/52/90/96/1024529096.db2.gz BLEXGEHYFVVBJU-AWEZNQCLSA-N 1 1 320.371 3.734 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2nc(C)c(C(C)(C)C)s2)CC1 ZINC000931751465 1024530377 /nfs/dbraw/zinc/53/03/77/1024530377.db2.gz YMGLLGCXMKDDCS-UHFFFAOYSA-N 1 1 308.491 3.652 20 30 DHEDMO COc1ccc(Br)c(C[N@H+](C)[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000339123921 1024571681 /nfs/dbraw/zinc/57/16/81/1024571681.db2.gz GXVSZLBEXYVNNL-DGCLKSJQSA-N 1 1 323.234 3.582 20 30 DHEDMO COc1ccc(Br)c(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000339123921 1024571694 /nfs/dbraw/zinc/57/16/94/1024571694.db2.gz GXVSZLBEXYVNNL-DGCLKSJQSA-N 1 1 323.234 3.582 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C(C)(C)c1ccccc1 ZINC000585754629 1024598114 /nfs/dbraw/zinc/59/81/14/1024598114.db2.gz TWWLNPFFDAIAFF-UHFFFAOYSA-N 1 1 321.424 3.754 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000585765618 1024605525 /nfs/dbraw/zinc/60/55/25/1024605525.db2.gz ZVOGXYMDTXYARA-LJQANCHMSA-N 1 1 316.408 3.644 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC=C(c3ccncc3)C2)cc1 ZINC000348838392 1024630572 /nfs/dbraw/zinc/63/05/72/1024630572.db2.gz OZKOYDKDDNKRTI-UHFFFAOYSA-N 1 1 306.409 3.936 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001172496593 1033225862 /nfs/dbraw/zinc/22/58/62/1033225862.db2.gz OISGCTHFFICQEG-QAPCUYQASA-N 1 1 321.465 3.544 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001172494773 1033226030 /nfs/dbraw/zinc/22/60/30/1033226030.db2.gz XXQVOWZEWKEORU-HOTGVXAUSA-N 1 1 323.481 3.648 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001172495734 1033226320 /nfs/dbraw/zinc/22/63/20/1033226320.db2.gz HCOPDSFIPCXSIX-CRAIPNDOSA-N 1 1 321.465 3.544 20 30 DHEDMO CC[N@@H+](Cc1ccncc1)Cc1cccc(OCCCC#N)c1 ZINC000348931241 1024651555 /nfs/dbraw/zinc/65/15/55/1024651555.db2.gz AAAQAZXFMMKKCW-UHFFFAOYSA-N 1 1 309.413 3.786 20 30 DHEDMO C#CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCc2ccccc21 ZINC000792210638 1024652525 /nfs/dbraw/zinc/65/25/25/1024652525.db2.gz PIRGSFGZFFLMTJ-FQEVSTJZSA-N 1 1 304.368 3.820 20 30 DHEDMO C#CC[N@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000792306493 1024659113 /nfs/dbraw/zinc/65/91/13/1024659113.db2.gz WKGCVJPLKKTOPS-UHFFFAOYSA-N 1 1 315.829 3.781 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(Nc2ccccc2OCC#N)cc1 ZINC001212600156 1024692919 /nfs/dbraw/zinc/69/29/19/1024692919.db2.gz FPZJUXXGGDQNBT-UHFFFAOYSA-N 1 1 304.353 3.827 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172499417 1033229001 /nfs/dbraw/zinc/22/90/01/1033229001.db2.gz XBQWHQVEPCALMF-OAGGEKHMSA-N 1 1 321.465 3.543 20 30 DHEDMO Cc1[nH+]ccn1Cc1ccc(Nc2ccccc2OCC#N)cc1 ZINC001212600633 1024702416 /nfs/dbraw/zinc/70/24/16/1024702416.db2.gz DKMMJVCAMOIXPF-UHFFFAOYSA-N 1 1 318.380 3.886 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001172500386 1033229598 /nfs/dbraw/zinc/22/95/98/1033229598.db2.gz NCAQJZRDFFUFQP-VGWMRTNUSA-N 1 1 306.450 3.511 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@]2(CCCN2Cc2ccccc2)C1 ZINC001172497574 1033230087 /nfs/dbraw/zinc/23/00/87/1033230087.db2.gz DAKLBQOPBNTCKC-AZUAARDMSA-N 1 1 311.473 3.809 20 30 DHEDMO C[C@@H](CCCC#N)N1CC[C@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC001172497574 1033230094 /nfs/dbraw/zinc/23/00/94/1033230094.db2.gz DAKLBQOPBNTCKC-AZUAARDMSA-N 1 1 311.473 3.809 20 30 DHEDMO C[C@@H](CCCC#N)N1CC[C@]2(CCC[N@H+]2Cc2ccccc2)C1 ZINC001172497574 1033230101 /nfs/dbraw/zinc/23/01/01/1033230101.db2.gz DAKLBQOPBNTCKC-AZUAARDMSA-N 1 1 311.473 3.809 20 30 DHEDMO COC(=O)C[C@H](C)[N@@H+](Cc1ccccc1)[C@@H](C)CCCC#N ZINC001172497305 1033230155 /nfs/dbraw/zinc/23/01/55/1033230155.db2.gz AQPKGWZEYYOODK-HOTGVXAUSA-N 1 1 302.418 3.523 20 30 DHEDMO C=CC[C@H](C)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000349408078 1024713933 /nfs/dbraw/zinc/71/39/33/1024713933.db2.gz FRCOQCPHSBIXSY-GOEBONIOSA-N 1 1 315.461 3.574 20 30 DHEDMO C=CC[C@@H](C)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000349408081 1024715545 /nfs/dbraw/zinc/71/55/45/1024715545.db2.gz FRCOQCPHSBIXSY-ZBFHGGJFSA-N 1 1 315.461 3.574 20 30 DHEDMO CCCCCCC[C@@H](CCC)[NH2+]CCCN1CCN(C)CC1 ZINC001172503184 1033231952 /nfs/dbraw/zinc/23/19/52/1033231952.db2.gz WKAFFNSAXAPRTF-LJQANCHMSA-N 1 1 311.558 3.743 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@H]3OCC[C@H]3C2)CC1 ZINC001170396408 1024764266 /nfs/dbraw/zinc/76/42/66/1024764266.db2.gz ZOFONMRPCPTUCY-VHBXLISGSA-N 1 1 310.441 3.501 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000349944791 1024773233 /nfs/dbraw/zinc/77/32/33/1024773233.db2.gz MLEDXUOVLABCIU-OAHLLOKOSA-N 1 1 316.408 3.932 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCSC[C@@H](C)C2)c1O ZINC000792720396 1024782820 /nfs/dbraw/zinc/78/28/20/1024782820.db2.gz NQEWAYOGVUKYJQ-AWEZNQCLSA-N 1 1 321.486 3.704 20 30 DHEDMO COc1ccc([C@H]2CSCC[N@H+]2[C@H](C)CCCC#N)cc1 ZINC001172506938 1033234685 /nfs/dbraw/zinc/23/46/85/1033234685.db2.gz MGOQRHGCUGWBGD-RHSMWYFYSA-N 1 1 304.459 3.867 20 30 DHEDMO CCCCCCCC[C@@H](CC)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001172505428 1033235093 /nfs/dbraw/zinc/23/50/93/1033235093.db2.gz NDQGYKNUBNLATA-RTBURBONSA-N 1 1 310.526 3.922 20 30 DHEDMO CCCCCCCC[C@H](CC)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001172505784 1033235813 /nfs/dbraw/zinc/23/58/13/1033235813.db2.gz UXHNYVJEAABNTF-IBGZPJMESA-N 1 1 311.558 3.695 20 30 DHEDMO CCCCCCCC[C@H](CC)[N@H+](C)CCN1CCN(C)CC1 ZINC001172505784 1033235826 /nfs/dbraw/zinc/23/58/26/1033235826.db2.gz UXHNYVJEAABNTF-IBGZPJMESA-N 1 1 311.558 3.695 20 30 DHEDMO CCCCCCCC[C@H](CC)[N@@H+](C)CCN1CCN(C)CC1 ZINC001172505784 1033235835 /nfs/dbraw/zinc/23/58/35/1033235835.db2.gz UXHNYVJEAABNTF-IBGZPJMESA-N 1 1 311.558 3.695 20 30 DHEDMO C[C@@H](CCCC#N)[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC001172506400 1033235992 /nfs/dbraw/zinc/23/59/92/1033235992.db2.gz SYOXUEBZECHHQT-LBPRGKRZSA-N 1 1 323.234 3.726 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCOc2ccc(Br)cc2C1 ZINC001172506400 1033236001 /nfs/dbraw/zinc/23/60/01/1033236001.db2.gz SYOXUEBZECHHQT-LBPRGKRZSA-N 1 1 323.234 3.726 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@@H+]2C[C@@H](C)CCC=C(C)C)C1=O ZINC001275067538 1024900689 /nfs/dbraw/zinc/90/06/89/1024900689.db2.gz YETPUUBDTGBLSQ-PKOBYXMFSA-N 1 1 304.478 3.622 20 30 DHEDMO C=CCCC[N@H+](CCC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000117877251 1024904536 /nfs/dbraw/zinc/90/45/36/1024904536.db2.gz OVPVPGHTEDDVNS-UHFFFAOYSA-N 1 1 314.473 3.969 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001275113775 1024924710 /nfs/dbraw/zinc/92/47/10/1024924710.db2.gz IIFAVCVAYQFWDW-IBGZPJMESA-N 1 1 319.493 3.718 20 30 DHEDMO C[N@@H+](CCCOCCc1ccccc1)Cc1cccc(C#N)c1 ZINC000051400931 1024968705 /nfs/dbraw/zinc/96/87/05/1024968705.db2.gz UEBMUPJRPHRBPG-UHFFFAOYSA-N 1 1 308.425 3.639 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2ccc3c(c2)oc(=O)n3C)CCCC1(C)C ZINC000353237308 1024996323 /nfs/dbraw/zinc/99/63/23/1024996323.db2.gz TWEIPHUUKKTFDL-QGZVFWFLSA-N 1 1 314.429 3.698 20 30 DHEDMO CCc1ccc([C@H](COC)[NH2+][C@@H]2CCc3ccc(C#N)cc32)o1 ZINC000353246168 1024996503 /nfs/dbraw/zinc/99/65/03/1024996503.db2.gz YWZYAZNTAYQODG-MSOLQXFVSA-N 1 1 310.397 3.678 20 30 DHEDMO CCc1ccc([C@@H](COC)[NH2+][C@H]2CCc3ccc(C#N)cc32)o1 ZINC000353246171 1024996542 /nfs/dbraw/zinc/99/65/42/1024996542.db2.gz YWZYAZNTAYQODG-ZWKOTPCHSA-N 1 1 310.397 3.678 20 30 DHEDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)c(OC)c1 ZINC000121001863 1025068270 /nfs/dbraw/zinc/06/82/70/1025068270.db2.gz KGHCQBDLRAQFTF-QGZVFWFLSA-N 1 1 312.369 3.506 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)o2)c(OC)c1 ZINC000121001863 1025068284 /nfs/dbraw/zinc/06/82/84/1025068284.db2.gz KGHCQBDLRAQFTF-QGZVFWFLSA-N 1 1 312.369 3.506 20 30 DHEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC1(O)CCC1 ZINC000353490454 1025086769 /nfs/dbraw/zinc/08/67/69/1025086769.db2.gz QUBJHILWZZSURX-UHFFFAOYSA-N 1 1 306.409 3.572 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1O ZINC000793531927 1025107978 /nfs/dbraw/zinc/10/79/78/1025107978.db2.gz QYQPNJYNJDDHBN-DOTOQJQBSA-N 1 1 323.383 3.606 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2sc(C)nc2C)cc1C#N ZINC000135060391 1033259854 /nfs/dbraw/zinc/25/98/54/1033259854.db2.gz XQFJSFFCZCUDOG-LBPRGKRZSA-N 1 1 315.442 3.833 20 30 DHEDMO C[NH+](C)C[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000353598930 1025146682 /nfs/dbraw/zinc/14/66/82/1025146682.db2.gz VIJMYASAKKDOMI-WOJBJXKFSA-N 1 1 323.415 3.577 20 30 DHEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1C ZINC001275256459 1025176363 /nfs/dbraw/zinc/17/63/63/1025176363.db2.gz JFLNNJAGKLNKIH-FQEVSTJZSA-N 1 1 312.457 3.528 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)c(F)c1 ZINC000353652248 1025180154 /nfs/dbraw/zinc/18/01/54/1025180154.db2.gz JBIHZZIZGIUMJJ-GOSISDBHSA-N 1 1 322.383 3.935 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccccc2)c(F)c1 ZINC000353652248 1025180164 /nfs/dbraw/zinc/18/01/64/1025180164.db2.gz JBIHZZIZGIUMJJ-GOSISDBHSA-N 1 1 322.383 3.935 20 30 DHEDMO CC(C)n1cnnc1[C@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000248923964 1025186723 /nfs/dbraw/zinc/18/67/23/1025186723.db2.gz LGHLIBXMHWQZBU-QAPCUYQASA-N 1 1 323.444 3.671 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2C)cc1OCCCC#N ZINC000353742897 1025220875 /nfs/dbraw/zinc/22/08/75/1025220875.db2.gz BDRAPHZNNYDGCJ-LSDHHAIUSA-N 1 1 302.418 3.608 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3cc(Br)ccc23)C1 ZINC001142402044 1025317456 /nfs/dbraw/zinc/31/74/56/1025317456.db2.gz NEMHUVJAGPLKPW-LBPRGKRZSA-N 1 1 317.230 3.776 20 30 DHEDMO C=CCOc1ccccc1C[N@H+](CCOC)Cc1ccc(C)o1 ZINC000354117968 1025358498 /nfs/dbraw/zinc/35/84/98/1025358498.db2.gz UKXSYUITDSNEQQ-UHFFFAOYSA-N 1 1 315.413 3.801 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+](CCOC)Cc1ccc(C)o1 ZINC000354117968 1025358511 /nfs/dbraw/zinc/35/85/11/1025358511.db2.gz UKXSYUITDSNEQQ-UHFFFAOYSA-N 1 1 315.413 3.801 20 30 DHEDMO C#Cc1ccc(NC(=O)C[C@H](C)n2cc[nH+]c2CC)c(Cl)c1 ZINC000885669577 1025376192 /nfs/dbraw/zinc/37/61/92/1025376192.db2.gz IPUVKQCMUCTHJD-LBPRGKRZSA-N 1 1 315.804 3.670 20 30 DHEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885961172 1025419129 /nfs/dbraw/zinc/41/91/29/1025419129.db2.gz URJWJEASUKXFPN-BBRMVZONSA-N 1 1 306.837 3.778 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1CC=C(c2ccccc2OCC)CC1 ZINC000124460733 1025431037 /nfs/dbraw/zinc/43/10/37/1025431037.db2.gz VYKFDXUDIDOROD-KRWDZBQOSA-N 1 1 301.430 3.502 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CCC1 ZINC000886006881 1025436819 /nfs/dbraw/zinc/43/68/19/1025436819.db2.gz YDHGJMUNCPEPEP-RDJZCZTQSA-N 1 1 318.848 3.574 20 30 DHEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886014682 1025439469 /nfs/dbraw/zinc/43/94/69/1025439469.db2.gz NERIYRYFCACWDY-YOEHRIQHSA-N 1 1 320.864 3.648 20 30 DHEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886015272 1025441551 /nfs/dbraw/zinc/44/15/51/1025441551.db2.gz ZLVPNILWONRESU-KZNAEPCWSA-N 1 1 312.457 3.618 20 30 DHEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@@H](O)CC2(C#N)CCC2)o1 ZINC000886028601 1025445114 /nfs/dbraw/zinc/44/51/14/1025445114.db2.gz TUQRBMPFQQCQOE-XIRDDKMYSA-N 1 1 316.445 3.806 20 30 DHEDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@@H](O)CC2(C#N)CCC2)o1 ZINC000886028599 1025446031 /nfs/dbraw/zinc/44/60/31/1025446031.db2.gz TUQRBMPFQQCQOE-PVAVHDDUSA-N 1 1 316.445 3.806 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](F)CC2)c(Br)c1 ZINC001137632884 1025448255 /nfs/dbraw/zinc/44/82/55/1025448255.db2.gz NVNBXZLAVRNIEG-ZDUSSCGKSA-N 1 1 311.198 3.645 20 30 DHEDMO C=CCCCCCCC[N@@H+]1CCC[C@]2(CCN(C)C2=O)CC1 ZINC001275336346 1025454216 /nfs/dbraw/zinc/45/42/16/1025454216.db2.gz BOQQZZVFCOJLFW-IBGZPJMESA-N 1 1 306.494 3.847 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000125964684 1025497841 /nfs/dbraw/zinc/49/78/41/1025497841.db2.gz NYXCPVJBANPHQQ-HUUCEWRRSA-N 1 1 306.475 3.698 20 30 DHEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)OC(C)(C)C)C1 ZINC000860036056 1033288137 /nfs/dbraw/zinc/28/81/37/1033288137.db2.gz GCQBEWYGVNDWOZ-QAETUUGQSA-N 1 1 320.477 3.530 20 30 DHEDMO C=CCCCCCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000805187065 1025552132 /nfs/dbraw/zinc/55/21/32/1025552132.db2.gz DEPCMODJJKOCDI-SJORKVTESA-N 1 1 309.498 3.685 20 30 DHEDMO CC(C)CC[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000053365306 1025591126 /nfs/dbraw/zinc/59/11/26/1025591126.db2.gz JLPNMBFHJXVFTL-UHFFFAOYSA-N 1 1 307.825 3.518 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](C(C)C)C2)cc1OCCCC#N ZINC000355078431 1025597212 /nfs/dbraw/zinc/59/72/12/1025597212.db2.gz ICAQVGJFRPBMQZ-KRWDZBQOSA-N 1 1 316.445 3.856 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(-c3cccc(OC)c3)n2)C1 ZINC000886353885 1025600483 /nfs/dbraw/zinc/60/04/83/1025600483.db2.gz RQFPKYATNRBZJT-CQSZACIVSA-N 1 1 312.438 3.664 20 30 DHEDMO N#CCC[C@@H](Nc1cc[nH+]cc1Br)c1ccccc1 ZINC000355090518 1025600994 /nfs/dbraw/zinc/60/09/94/1025600994.db2.gz HFIUBSOEVIFOOU-CQSZACIVSA-N 1 1 316.202 3.723 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000886362612 1025603665 /nfs/dbraw/zinc/60/36/65/1025603665.db2.gz FRDIXABJXAGKQB-QGZVFWFLSA-N 1 1 318.420 3.784 20 30 DHEDMO Cc1noc2ncc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)cc12 ZINC000893928860 1025607339 /nfs/dbraw/zinc/60/73/39/1025607339.db2.gz GSHKKHCIKAXNCR-UHFFFAOYSA-N 1 1 318.380 3.568 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](Cc3coc4ccccc34)CCO2)c1 ZINC000355136799 1025611751 /nfs/dbraw/zinc/61/17/51/1025611751.db2.gz FKWANHDQWRCOIE-FQEVSTJZSA-N 1 1 318.376 3.878 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3coc4ccccc34)CCO2)c1 ZINC000355136799 1025611755 /nfs/dbraw/zinc/61/17/55/1025611755.db2.gz FKWANHDQWRCOIE-FQEVSTJZSA-N 1 1 318.376 3.878 20 30 DHEDMO CC[N@@H+](Cc1ccc2[nH]c(=O)[nH]c2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000893952267 1025621686 /nfs/dbraw/zinc/62/16/86/1025621686.db2.gz OKZMSDJVAJFPAK-CYBMUJFWSA-N 1 1 320.396 3.723 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000355270501 1025661433 /nfs/dbraw/zinc/66/14/33/1025661433.db2.gz SETZHFWDBMCWDD-KRWDZBQOSA-N 1 1 302.462 3.709 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000355270501 1025661435 /nfs/dbraw/zinc/66/14/35/1025661435.db2.gz SETZHFWDBMCWDD-KRWDZBQOSA-N 1 1 302.462 3.709 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000355272314 1025661791 /nfs/dbraw/zinc/66/17/91/1025661791.db2.gz ZOSAYWUDTQSXOB-INIZCTEOSA-N 1 1 319.408 3.573 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000355272314 1025661801 /nfs/dbraw/zinc/66/18/01/1025661801.db2.gz ZOSAYWUDTQSXOB-INIZCTEOSA-N 1 1 319.408 3.573 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000355278024 1025664561 /nfs/dbraw/zinc/66/45/61/1025664561.db2.gz XOFMRZIUVGSPLH-FUHWJXTLSA-N 1 1 311.429 3.531 20 30 DHEDMO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000805774563 1025668876 /nfs/dbraw/zinc/66/88/76/1025668876.db2.gz NKQOIJQJBMURSQ-INIZCTEOSA-N 1 1 323.481 3.697 20 30 DHEDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000805839774 1025679222 /nfs/dbraw/zinc/67/92/22/1025679222.db2.gz SHCLZHGUDQGUBW-ZTFGCOKTSA-N 1 1 300.446 3.738 20 30 DHEDMO COc1ccsc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000355357554 1025693514 /nfs/dbraw/zinc/69/35/14/1025693514.db2.gz VMHHMKRZBBVDAK-UHFFFAOYSA-N 1 1 310.422 3.918 20 30 DHEDMO N#Cc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)ccc1F ZINC000886614165 1025741617 /nfs/dbraw/zinc/74/16/17/1025741617.db2.gz OOSFUZUYGCTBEK-ZFWWWQNUSA-N 1 1 312.310 3.862 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Br)cn1 ZINC000355493536 1025744409 /nfs/dbraw/zinc/74/44/09/1025744409.db2.gz IVDJBXFTVCVJAO-SECBINFHSA-N 1 1 322.231 3.628 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOc3ccccc3C2)cc1 ZINC000614160583 1025782984 /nfs/dbraw/zinc/78/29/84/1025782984.db2.gz IXQKHDWGOYIEDM-UHFFFAOYSA-N 1 1 306.409 3.882 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)c(F)c1 ZINC000806138222 1025784331 /nfs/dbraw/zinc/78/43/31/1025784331.db2.gz SMYUIZLKTBPBCF-AWEZNQCLSA-N 1 1 301.752 3.523 20 30 DHEDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614167380 1025792341 /nfs/dbraw/zinc/79/23/41/1025792341.db2.gz FAIXXFFCOUXBNJ-QGZVFWFLSA-N 1 1 300.446 3.736 20 30 DHEDMO COC[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccc(C)o1 ZINC000614183870 1025828126 /nfs/dbraw/zinc/82/81/26/1025828126.db2.gz JJSDDIDVHYGALE-QGZVFWFLSA-N 1 1 312.413 3.867 20 30 DHEDMO C[N@@H+](CCCSCC#N)Cc1ccc(Br)cc1 ZINC000074981203 1025830279 /nfs/dbraw/zinc/83/02/79/1025830279.db2.gz XWBRUYAVPXQYKK-UHFFFAOYSA-N 1 1 313.264 3.528 20 30 DHEDMO N#CCSCCC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000074991795 1025831275 /nfs/dbraw/zinc/83/12/75/1025831275.db2.gz JULWZJNNSZOBHG-OAHLLOKOSA-N 1 1 306.500 3.747 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000135281519 1025835016 /nfs/dbraw/zinc/83/50/16/1025835016.db2.gz OMXPADGFJGBUFS-SFHVURJKSA-N 1 1 310.397 3.654 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000135281519 1025835036 /nfs/dbraw/zinc/83/50/36/1025835036.db2.gz OMXPADGFJGBUFS-SFHVURJKSA-N 1 1 310.397 3.654 20 30 DHEDMO C=CCCCN(CC)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000894105525 1025841661 /nfs/dbraw/zinc/84/16/61/1025841661.db2.gz CHBAPYULOBMUSK-IRXDYDNUSA-N 1 1 321.509 3.637 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2ncc(-c3ccccc3)s2)CC1 ZINC000886774838 1025895215 /nfs/dbraw/zinc/89/52/15/1025895215.db2.gz WNZYYEGCCFTSAE-UHFFFAOYSA-N 1 1 314.454 3.713 20 30 DHEDMO C#CCC(CC#C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000806493728 1025901326 /nfs/dbraw/zinc/90/13/26/1025901326.db2.gz BXAKSKRYBDAZTO-QGZVFWFLSA-N 1 1 322.452 3.662 20 30 DHEDMO CCC[N@H+](CCCC#N)Cc1nnc(-c2ccccc2Cl)o1 ZINC000078709797 1025952006 /nfs/dbraw/zinc/95/20/06/1025952006.db2.gz PWSKUEBMYJLLOZ-UHFFFAOYSA-N 1 1 318.808 3.906 20 30 DHEDMO CCC[N@@H+](CCCC#N)Cc1nnc(-c2ccccc2Cl)o1 ZINC000078709797 1025952020 /nfs/dbraw/zinc/95/20/20/1025952020.db2.gz PWSKUEBMYJLLOZ-UHFFFAOYSA-N 1 1 318.808 3.906 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000886830547 1025952121 /nfs/dbraw/zinc/95/21/21/1025952121.db2.gz SYOBBPZKJMPFRV-WBVHZDCISA-N 1 1 323.358 3.558 20 30 DHEDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2nc(C#N)cs2)C12CCCCC2 ZINC000356127240 1025956928 /nfs/dbraw/zinc/95/69/28/1025956928.db2.gz NNPCXTJDWOZSBR-LSDHHAIUSA-N 1 1 319.474 3.574 20 30 DHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2nc(C#N)cs2)C12CCCCC2 ZINC000356127240 1025956929 /nfs/dbraw/zinc/95/69/29/1025956929.db2.gz NNPCXTJDWOZSBR-LSDHHAIUSA-N 1 1 319.474 3.574 20 30 DHEDMO C[C@H]1SCC[N@@H+](CCCSCC#N)[C@@H]1c1ccccc1 ZINC000080629000 1025972690 /nfs/dbraw/zinc/97/26/90/1025972690.db2.gz KJFIBFCRHHUEOP-ZBFHGGJFSA-N 1 1 306.500 3.812 20 30 DHEDMO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2nc(C#N)cs2)CC1 ZINC000356351345 1026028989 /nfs/dbraw/zinc/02/89/89/1026028989.db2.gz YHHRNSLZPPUZNT-SFHVURJKSA-N 1 1 311.454 3.959 20 30 DHEDMO C=CC(C)(C)CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000454303401 1026050021 /nfs/dbraw/zinc/05/00/21/1026050021.db2.gz DMSAMKOMBQTCTC-UHFFFAOYSA-N 1 1 317.477 3.538 20 30 DHEDMO C=CCCCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000807592560 1026094945 /nfs/dbraw/zinc/09/49/45/1026094945.db2.gz RGTHZUILKRJFBJ-ROUUACIJSA-N 1 1 323.525 3.885 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1n1ccnc1 ZINC000245607556 1026097223 /nfs/dbraw/zinc/09/72/23/1026097223.db2.gz NNPMJRVJDDGMCZ-VQIMIIECSA-N 1 1 322.456 3.767 20 30 DHEDMO C=CCOc1ccc(C[N@H+](CC)Cc2ccccn2)cc1OC ZINC000093338814 1026116265 /nfs/dbraw/zinc/11/62/65/1026116265.db2.gz ITLMYAXECGLABS-UHFFFAOYSA-N 1 1 312.413 3.677 20 30 DHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNCc2ccc(C#N)cc2F)C1 ZINC000532986854 1026166320 /nfs/dbraw/zinc/16/63/20/1026166320.db2.gz DSJQZPIUSPMGIX-HNNXBMFYSA-N 1 1 317.452 3.688 20 30 DHEDMO N#Cc1cc(C[N@@H+](CCC(F)(F)F)CC2CC2)ccc1F ZINC000122092896 1026171363 /nfs/dbraw/zinc/17/13/63/1026171363.db2.gz ANIRIPVRTVZYQO-UHFFFAOYSA-N 1 1 300.299 3.862 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)cc1C#N ZINC000533079808 1026211182 /nfs/dbraw/zinc/21/11/82/1026211182.db2.gz PVDLRUFWOINDJE-DNVCBOLYSA-N 1 1 306.409 3.945 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C[C@@](C)(CC)CC1=O ZINC000808182676 1026223063 /nfs/dbraw/zinc/22/30/63/1026223063.db2.gz YLAZEGYCPQTBQW-IBGZPJMESA-N 1 1 300.446 3.671 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C[C@@](C)(CC)CC1=O ZINC000808182676 1026223056 /nfs/dbraw/zinc/22/30/56/1026223056.db2.gz YLAZEGYCPQTBQW-IBGZPJMESA-N 1 1 300.446 3.671 20 30 DHEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H]1CCC1CCCCC1 ZINC000356973378 1026253969 /nfs/dbraw/zinc/25/39/69/1026253969.db2.gz CKWLDZZVXNMYQU-GOSISDBHSA-N 1 1 319.493 3.573 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(C#N)cc1 ZINC000398007405 1026286710 /nfs/dbraw/zinc/28/67/10/1026286710.db2.gz BOKBQRVDOJQRLA-JXFKEZNVSA-N 1 1 305.425 3.881 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000614401747 1026297315 /nfs/dbraw/zinc/29/73/15/1026297315.db2.gz BTZKIKYVFAIMJB-OAQYLSRUSA-N 1 1 320.436 3.739 20 30 DHEDMO C[C@H](c1cccc(N=Cc2ccccc2O)c1)[NH+]1CCOCC1 ZINC000729150529 1026383248 /nfs/dbraw/zinc/38/32/48/1026383248.db2.gz WFVPLZFQCUMSAN-OAHLLOKOSA-N 1 1 310.397 3.536 20 30 DHEDMO C[C@@H](c1ccsc1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000614461691 1026438508 /nfs/dbraw/zinc/43/85/08/1026438508.db2.gz GGVQOBGIXNDNFN-MAUKXSAKSA-N 1 1 311.454 3.692 20 30 DHEDMO C#Cc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000809538262 1026546817 /nfs/dbraw/zinc/54/68/17/1026546817.db2.gz LSPHJUIVYDILAE-HXUWFJFHSA-N 1 1 321.420 3.555 20 30 DHEDMO C#Cc1ccc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000809539966 1026548278 /nfs/dbraw/zinc/54/82/78/1026548278.db2.gz GLNHWPYNLGPZRT-SFHVURJKSA-N 1 1 311.450 3.911 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000809592932 1026567156 /nfs/dbraw/zinc/56/71/56/1026567156.db2.gz KOHOMPWOXXIQGZ-QZTJIDSGSA-N 1 1 311.450 3.818 20 30 DHEDMO C#C[C@@H](C)[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1Cl ZINC000809683836 1026593686 /nfs/dbraw/zinc/59/36/86/1026593686.db2.gz HJGCHZRGXKQBCC-SNVBAGLBSA-N 1 1 308.212 3.599 20 30 DHEDMO C#CCOc1ccccc1C[N@@H+](CCC)CCc1ccccn1 ZINC000809734937 1026597012 /nfs/dbraw/zinc/59/70/12/1026597012.db2.gz TVCLMRXOVCYBOI-UHFFFAOYSA-N 1 1 308.425 3.548 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+](CCC)CCc2ccccn2)cc1 ZINC000809734318 1026597308 /nfs/dbraw/zinc/59/73/08/1026597308.db2.gz DGCWTBYCJRADEO-UHFFFAOYSA-N 1 1 322.452 3.938 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(COCC)c1 ZINC000809717080 1026603384 /nfs/dbraw/zinc/60/33/84/1026603384.db2.gz WSUZMKUBGBCVRF-UHFFFAOYSA-N 1 1 323.436 3.867 20 30 DHEDMO Cc1ccc(N(C)[C@@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)cc1 ZINC000809757744 1026617918 /nfs/dbraw/zinc/61/79/18/1026617918.db2.gz VZLGSAKFJVUHHH-QGZVFWFLSA-N 1 1 309.413 3.561 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@](C)(OC)CC2)cc(OC)c1O ZINC000280366994 1026638067 /nfs/dbraw/zinc/63/80/67/1026638067.db2.gz UYNARZNNWSXSJP-IBGZPJMESA-N 1 1 319.445 3.520 20 30 DHEDMO CC1CC[NH+](c2ccc(NCc3nc(C#N)cs3)cc2)CC1 ZINC000810149092 1026695263 /nfs/dbraw/zinc/69/52/63/1026695263.db2.gz XVCPZKXXVXKOKG-UHFFFAOYSA-N 1 1 312.442 3.863 20 30 DHEDMO CC(C)[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)c(F)c1 ZINC000810151286 1026695380 /nfs/dbraw/zinc/69/53/80/1026695380.db2.gz WUHZHWBKEKWNIG-OAHLLOKOSA-N 1 1 307.369 3.780 20 30 DHEDMO C=CCC[C@H](C(=O)O[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000810841855 1026866488 /nfs/dbraw/zinc/86/64/88/1026866488.db2.gz OAGTYUSQKBKOMW-QYZOEREBSA-N 1 1 313.441 3.906 20 30 DHEDMO Cc1[nH+]c(C=NNc2cc(F)c(F)c(F)c2)c2ccccn12 ZINC000747642900 1026869479 /nfs/dbraw/zinc/86/94/79/1026869479.db2.gz XODYCOOUJKONFQ-UHFFFAOYSA-N 1 1 304.275 3.506 20 30 DHEDMO CC1=C[C@H](C)C[C@H](C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000811468420 1027006772 /nfs/dbraw/zinc/00/67/72/1027006772.db2.gz PVOMCKWGCNUGFJ-QSFXBCCZSA-N 1 1 310.441 3.924 20 30 DHEDMO COc1cc(C[NH2+]Cc2ccnc(Cl)c2Cl)ccc1C#N ZINC000811514016 1027028918 /nfs/dbraw/zinc/02/89/18/1027028918.db2.gz ZXLFCVCXYRSBKG-UHFFFAOYSA-N 1 1 322.195 3.558 20 30 DHEDMO C[C@H]1C(N=Nc2ncccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000811639161 1027046388 /nfs/dbraw/zinc/04/63/88/1027046388.db2.gz PWUWYGWJAWSWJJ-ZDUSSCGKSA-N 1 1 314.820 3.797 20 30 DHEDMO Cc1[nH+]ccn1-c1ncccc1CNc1c(Cl)cccc1C#N ZINC000811826354 1027105613 /nfs/dbraw/zinc/10/56/13/1027105613.db2.gz WOEHOXNADJZGPL-UHFFFAOYSA-N 1 1 323.787 3.713 20 30 DHEDMO Cc1[nH+]ccn1-c1ncccc1CNc1ccc(Cl)cc1C#N ZINC000811824917 1027106711 /nfs/dbraw/zinc/10/67/11/1027106711.db2.gz AKLJMBMBJWRBSE-UHFFFAOYSA-N 1 1 323.787 3.713 20 30 DHEDMO N#Cc1csc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000571364960 1027123753 /nfs/dbraw/zinc/12/37/53/1027123753.db2.gz GSIOLOLCZNPGJP-GUDVDZBRSA-N 1 1 324.449 3.624 20 30 DHEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000572141096 1027173940 /nfs/dbraw/zinc/17/39/40/1027173940.db2.gz PVSCXOYJKSFSJD-OAHLLOKOSA-N 1 1 319.399 3.506 20 30 DHEDMO C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC[C@H](C(F)(F)F)O1 ZINC000931615397 1027189216 /nfs/dbraw/zinc/18/92/16/1027189216.db2.gz AOHPSXBLAWIRJD-UONOGXRCSA-N 1 1 318.383 3.892 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000362433575 1027205779 /nfs/dbraw/zinc/20/57/79/1027205779.db2.gz FTMBJPBLTFKWDR-DOTOQJQBSA-N 1 1 318.461 3.786 20 30 DHEDMO O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000747788622 1027250580 /nfs/dbraw/zinc/25/05/80/1027250580.db2.gz XRGGXZOUMQKKBN-NHCUHLMSSA-N 1 1 323.411 3.765 20 30 DHEDMO C=CCCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000812493251 1027299519 /nfs/dbraw/zinc/29/95/19/1027299519.db2.gz CCDLJYKKQUFSPK-DLBZAZTESA-N 1 1 309.498 3.637 20 30 DHEDMO CC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812850790 1027446586 /nfs/dbraw/zinc/44/65/86/1027446586.db2.gz XXMRZVLVABRXSQ-QRWLVFNGSA-N 1 1 324.424 3.511 20 30 DHEDMO C[C@]1(COC(=O)CCCC#N)CCCC[N@H+]1Cc1ccccc1 ZINC000813083841 1027528622 /nfs/dbraw/zinc/52/86/22/1027528622.db2.gz YOVMWATYDLJIMD-LJQANCHMSA-N 1 1 314.429 3.668 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](CN[C@@H](C)c1ccncc1F)C(C)C ZINC000575939613 1027532188 /nfs/dbraw/zinc/53/21/88/1027532188.db2.gz ATHLTWGBRMPUIY-MAUKXSAKSA-N 1 1 305.441 3.570 20 30 DHEDMO N#Cc1cccc(OCC[N@H+]2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000576010411 1027544191 /nfs/dbraw/zinc/54/41/91/1027544191.db2.gz MWDHXBNUGWDQOH-IBGZPJMESA-N 1 1 310.372 3.508 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c1 ZINC000576010411 1027544208 /nfs/dbraw/zinc/54/42/08/1027544208.db2.gz MWDHXBNUGWDQOH-IBGZPJMESA-N 1 1 310.372 3.508 20 30 DHEDMO CC(C)(C)c1cc2n(n1)CC[N@@H+](CCCCC1(C#N)CCC1)C2 ZINC000932612565 1027564568 /nfs/dbraw/zinc/56/45/68/1027564568.db2.gz UZBYGSRYROPFIR-UHFFFAOYSA-N 1 1 314.477 3.860 20 30 DHEDMO CCc1ccccc1[C@@H]([NH3+])CN[C@H](CC)c1ccc(C#N)cc1 ZINC000423498344 1027565000 /nfs/dbraw/zinc/56/50/00/1027565000.db2.gz IAOVDSTZADZNFW-VQTJNVASSA-N 1 1 307.441 3.861 20 30 DHEDMO C[N@H+]1CC[C@@H](CNc2ccc(F)cc2C#N)[C@@H]1c1cccs1 ZINC000363262600 1027576004 /nfs/dbraw/zinc/57/60/04/1027576004.db2.gz FXYUJGCPPKXSJV-YVEFUNNKSA-N 1 1 315.417 3.864 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000363306640 1027591160 /nfs/dbraw/zinc/59/11/60/1027591160.db2.gz JSZAIAKNFCACFU-GOSISDBHSA-N 1 1 308.429 3.618 20 30 DHEDMO CC1(C)C[C@H](c2ccccc2)C[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000932898248 1027645030 /nfs/dbraw/zinc/64/50/30/1027645030.db2.gz JRRRKJQFRQPNQM-ZWKOTPCHSA-N 1 1 312.457 3.699 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](n3cnc4ccccc43)C2)cc1 ZINC000363483167 1027650963 /nfs/dbraw/zinc/65/09/63/1027650963.db2.gz FNJKLBLZPQDYRC-SFHVURJKSA-N 1 1 316.408 3.745 20 30 DHEDMO C[C@]1(Cc2cccs2)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000932928346 1027652916 /nfs/dbraw/zinc/65/29/16/1027652916.db2.gz ZSSHFZYFXIKSDW-OAHLLOKOSA-N 1 1 303.456 3.673 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)C2CCC(CO)CC2)cc1Cl ZINC000562904985 1027656950 /nfs/dbraw/zinc/65/69/50/1027656950.db2.gz OPNGDWVIPORVER-UHFFFAOYSA-N 1 1 323.864 3.888 20 30 DHEDMO C[C@H](c1ccccc1F)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000576784671 1027660891 /nfs/dbraw/zinc/66/08/91/1027660891.db2.gz HACMNOZIVQQYLV-OAHLLOKOSA-N 1 1 312.388 3.907 20 30 DHEDMO C#CCC1([NH2+]Cc2nnc(-c3cccc4ccccc43)o2)CCC1 ZINC000933294775 1027713664 /nfs/dbraw/zinc/71/36/64/1027713664.db2.gz OHMHJLDQRCUJNW-UHFFFAOYSA-N 1 1 317.392 3.925 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@H]1CCC(C)=C[C@H]1C ZINC001275851098 1027729995 /nfs/dbraw/zinc/72/99/95/1027729995.db2.gz FFNLVVKCRDMJAC-GGPKGHCWSA-N 1 1 316.489 3.622 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(=O)oc2cc(C)ccc12 ZINC000778995493 1027735706 /nfs/dbraw/zinc/73/57/06/1027735706.db2.gz AMXSCJCFJYPGNA-UHFFFAOYSA-N 1 1 323.392 3.925 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000778995938 1027747597 /nfs/dbraw/zinc/74/75/97/1027747597.db2.gz GGEDESDZNQCSTE-QGZVFWFLSA-N 1 1 305.805 3.697 20 30 DHEDMO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCCC/C=C\CC ZINC001275863140 1027764433 /nfs/dbraw/zinc/76/44/33/1027764433.db2.gz WXBACIXRTCNDGQ-KKHYBRAUSA-N 1 1 316.489 3.603 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933629404 1027779396 /nfs/dbraw/zinc/77/93/96/1027779396.db2.gz PEUZJLSRRINOKQ-MGPUTAFESA-N 1 1 317.392 3.564 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933629404 1027779411 /nfs/dbraw/zinc/77/94/11/1027779411.db2.gz PEUZJLSRRINOKQ-MGPUTAFESA-N 1 1 317.392 3.564 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@H+](CC[C@@H]3CCCC3(F)F)CCO2)cc1 ZINC000933629452 1027779859 /nfs/dbraw/zinc/77/98/59/1027779859.db2.gz BXZLPPRBXJKUIU-DLBZAZTESA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)CCO2)cc1 ZINC000933629452 1027779879 /nfs/dbraw/zinc/77/98/79/1027779879.db2.gz BXZLPPRBXJKUIU-DLBZAZTESA-N 1 1 320.383 3.757 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933630055 1027781244 /nfs/dbraw/zinc/78/12/44/1027781244.db2.gz VOTUKQZFNCCCNE-YWZLYKJASA-N 1 1 317.392 3.564 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933630055 1027781267 /nfs/dbraw/zinc/78/12/67/1027781267.db2.gz VOTUKQZFNCCCNE-YWZLYKJASA-N 1 1 317.392 3.564 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933629401 1027782728 /nfs/dbraw/zinc/78/27/28/1027782728.db2.gz PEUZJLSRRINOKQ-FOIQADDNSA-N 1 1 317.392 3.564 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933629401 1027782748 /nfs/dbraw/zinc/78/27/48/1027782748.db2.gz PEUZJLSRRINOKQ-FOIQADDNSA-N 1 1 317.392 3.564 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(C=Cc4ccccc4O3)C2)o1 ZINC000933657696 1027793279 /nfs/dbraw/zinc/79/32/79/1027793279.db2.gz WMXHHXNNUHNHLQ-IBGZPJMESA-N 1 1 306.365 3.592 20 30 DHEDMO N#CCSCCC[N@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000933660677 1027793855 /nfs/dbraw/zinc/79/38/55/1027793855.db2.gz UYNRFHHCUCWYDF-GOSISDBHSA-N 1 1 314.454 3.574 20 30 DHEDMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1CCCC(C)(C)C#N ZINC000187453874 1027824330 /nfs/dbraw/zinc/82/43/30/1027824330.db2.gz DBRNCRNJPVLWLW-GASCZTMLSA-N 1 1 323.481 3.646 20 30 DHEDMO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccccc1)c1cccc(C#N)c1 ZINC000364762676 1027887637 /nfs/dbraw/zinc/88/76/37/1027887637.db2.gz BOYLWCJPHTUAPK-FOIQADDNSA-N 1 1 316.408 3.732 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000779031691 1027935775 /nfs/dbraw/zinc/93/57/75/1027935775.db2.gz FQOPLHKORBBTOI-ROUUACIJSA-N 1 1 310.372 3.803 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(C)c2)nc1 ZINC000934343548 1027973232 /nfs/dbraw/zinc/97/32/32/1027973232.db2.gz MYUYPSSOENPZKX-LJQANCHMSA-N 1 1 307.397 3.607 20 30 DHEDMO N#CCC[C@H]([NH2+]Cc1ccnn1CC1CCC1)c1ccccc1 ZINC000601113931 1027990513 /nfs/dbraw/zinc/99/05/13/1027990513.db2.gz JOSUSZXHCXFYKX-IBGZPJMESA-N 1 1 308.429 3.818 20 30 DHEDMO C=CC(C)(C)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000448708966 1028004202 /nfs/dbraw/zinc/00/42/02/1028004202.db2.gz NVACMJDUWMGQEF-INIZCTEOSA-N 1 1 314.473 3.747 20 30 DHEDMO C[N@H+](Cc1cccc(Br)c1)Cc1ccccc1C#N ZINC000048349291 1028010668 /nfs/dbraw/zinc/01/06/68/1028010668.db2.gz RHWXOGRHYRZFSY-UHFFFAOYSA-N 1 1 315.214 3.953 20 30 DHEDMO C[N@@H+](Cc1cccc(Br)c1)Cc1ccccc1C#N ZINC000048349291 1028010673 /nfs/dbraw/zinc/01/06/73/1028010673.db2.gz RHWXOGRHYRZFSY-UHFFFAOYSA-N 1 1 315.214 3.953 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3C3CC3)C2)C1=O ZINC001276005055 1028025812 /nfs/dbraw/zinc/02/58/12/1028025812.db2.gz JLULTUOMIZCVRC-OAQYLSRUSA-N 1 1 324.468 3.565 20 30 DHEDMO C#CCC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000299220156 1028032450 /nfs/dbraw/zinc/03/24/50/1028032450.db2.gz JZZRUHDTNVXXPZ-UHFFFAOYSA-N 1 1 303.793 3.624 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366989618 1028121269 /nfs/dbraw/zinc/12/12/69/1028121269.db2.gz KXHORSNEEOEHPW-PXNSSMCTSA-N 1 1 314.473 3.617 20 30 DHEDMO CCOc1ccccc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367064766 1028130247 /nfs/dbraw/zinc/13/02/47/1028130247.db2.gz FKUDRUATHOEXKM-UHFFFAOYSA-N 1 1 321.424 3.538 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000934877123 1028135791 /nfs/dbraw/zinc/13/57/91/1028135791.db2.gz RRVDPNNECMNRPJ-FUHWJXTLSA-N 1 1 313.445 3.668 20 30 DHEDMO C#CCC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000814675691 1028147795 /nfs/dbraw/zinc/14/77/95/1028147795.db2.gz SONHQSUTWSZXTO-OAHLLOKOSA-N 1 1 311.347 3.881 20 30 DHEDMO C#CCC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000814675691 1028147799 /nfs/dbraw/zinc/14/77/99/1028147799.db2.gz SONHQSUTWSZXTO-OAHLLOKOSA-N 1 1 311.347 3.881 20 30 DHEDMO Cc1[nH+]c(CNc2cc(Cl)ccc2C#N)c2n1CCCC2 ZINC000367371236 1028176486 /nfs/dbraw/zinc/17/64/86/1028176486.db2.gz JIJOXXFZFDBONG-UHFFFAOYSA-N 1 1 300.793 3.665 20 30 DHEDMO N#Cc1c(NC[C@H]2CC[N@H+]2C2CCCC2)cccc1C(F)F ZINC000528209069 1028183482 /nfs/dbraw/zinc/18/34/82/1028183482.db2.gz HKSPNMQUBPPSTC-CYBMUJFWSA-N 1 1 305.372 3.925 20 30 DHEDMO CC(C)(C)c1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)cn1)CC2 ZINC000578879089 1028261315 /nfs/dbraw/zinc/26/13/15/1028261315.db2.gz MBXDUCRJJSKZOU-UHFFFAOYSA-N 1 1 305.425 3.809 20 30 DHEDMO CC(C)(C)c1ccc2c(c1)C[N@H+](Cc1ccc(C#N)cn1)CC2 ZINC000578879089 1028261332 /nfs/dbraw/zinc/26/13/32/1028261332.db2.gz MBXDUCRJJSKZOU-UHFFFAOYSA-N 1 1 305.425 3.809 20 30 DHEDMO C=CCCC[N@H+](C)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449026406 1028264128 /nfs/dbraw/zinc/26/41/28/1028264128.db2.gz FSKYSXSGSIMMSS-UHFFFAOYSA-N 1 1 308.853 3.575 20 30 DHEDMO Brc1cnn([NH+]=C2CC[C@H](Cc3ccccc3)C2)c1 ZINC000814884353 1028280745 /nfs/dbraw/zinc/28/07/45/1028280745.db2.gz IJACLDIAPFJVMX-CYBMUJFWSA-N 1 1 318.218 3.893 20 30 DHEDMO CCc1cccc(C)c1N=NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000814923343 1028284841 /nfs/dbraw/zinc/28/48/41/1028284841.db2.gz PVRDMIBGYYUMIU-HDICACEKSA-N 1 1 315.461 3.599 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)CC2)cc1F ZINC000368055990 1028290321 /nfs/dbraw/zinc/29/03/21/1028290321.db2.gz JQTDYPXBWQZWCZ-FQEVSTJZSA-N 1 1 324.399 3.571 20 30 DHEDMO C=CCOCC[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000815023589 1028329611 /nfs/dbraw/zinc/32/96/11/1028329611.db2.gz CCIZSFHSSRNWGC-INIZCTEOSA-N 1 1 324.262 3.659 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000368270254 1028329905 /nfs/dbraw/zinc/32/99/05/1028329905.db2.gz UQVODSCKYQHCAX-OTWHNJEPSA-N 1 1 316.420 3.603 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815028328 1028339143 /nfs/dbraw/zinc/33/91/43/1028339143.db2.gz XWGNDGZZTNTEML-GOSISDBHSA-N 1 1 323.367 3.741 20 30 DHEDMO N#CCCOCC[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000815035146 1028340475 /nfs/dbraw/zinc/34/04/75/1028340475.db2.gz AHDPDCZAHDUSKC-OAHLLOKOSA-N 1 1 312.335 3.773 20 30 DHEDMO C=C(C)CN1CCC([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449121572 1028376234 /nfs/dbraw/zinc/37/62/34/1028376234.db2.gz IAGDZPPWWXKZMR-OAHLLOKOSA-N 1 1 324.390 3.721 20 30 DHEDMO C[N@@H+](CCCC#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000368925577 1028427341 /nfs/dbraw/zinc/42/73/41/1028427341.db2.gz TUODZVIYTWDJTA-ZDUSSCGKSA-N 1 1 309.207 3.508 20 30 DHEDMO C=CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815203216 1028427923 /nfs/dbraw/zinc/42/79/23/1028427923.db2.gz UXYKWUQQNKFKDY-JKSUJKDBSA-N 1 1 308.466 3.674 20 30 DHEDMO CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000564418963 1028437850 /nfs/dbraw/zinc/43/78/50/1028437850.db2.gz IICUJZDNTVOPLU-YLJYHZDGSA-N 1 1 311.473 3.503 20 30 DHEDMO CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000564418963 1028437839 /nfs/dbraw/zinc/43/78/39/1028437839.db2.gz IICUJZDNTVOPLU-YLJYHZDGSA-N 1 1 311.473 3.503 20 30 DHEDMO CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000564418963 1028437846 /nfs/dbraw/zinc/43/78/46/1028437846.db2.gz IICUJZDNTVOPLU-YLJYHZDGSA-N 1 1 311.473 3.503 20 30 DHEDMO C=CCOc1ccccc1C[NH2+][C@@H](c1ccccc1F)[C@@H](C)O ZINC000564459287 1028457535 /nfs/dbraw/zinc/45/75/35/1028457535.db2.gz TXJLOBWOYLORDH-AUUYWEPGSA-N 1 1 315.388 3.602 20 30 DHEDMO CCCC[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C ZINC000449245977 1028492089 /nfs/dbraw/zinc/49/20/89/1028492089.db2.gz CDKKGASVBULFDZ-CSLYMUCUSA-N 1 1 308.466 3.949 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2cccc(S(C)(=O)=O)c2)CCCC1(C)C ZINC000449285880 1028510061 /nfs/dbraw/zinc/51/00/61/1028510061.db2.gz TYQJCVZXLBPEOA-QGZVFWFLSA-N 1 1 321.486 3.657 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2cccc(S(C)(=O)=O)c2)CCCC1(C)C ZINC000449285880 1028510073 /nfs/dbraw/zinc/51/00/73/1028510073.db2.gz TYQJCVZXLBPEOA-QGZVFWFLSA-N 1 1 321.486 3.657 20 30 DHEDMO CC1(C#N)CCC([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000449294952 1028516571 /nfs/dbraw/zinc/51/65/71/1028516571.db2.gz OIZIPBQGKRQTRP-XEVCZEQESA-N 1 1 311.473 3.571 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCCc2cccnc21 ZINC000565155776 1028548783 /nfs/dbraw/zinc/54/87/83/1028548783.db2.gz GGRXXANNVDBVAP-LJQANCHMSA-N 1 1 320.440 3.884 20 30 DHEDMO CC(C)c1nccn1C[C@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000370000482 1028551256 /nfs/dbraw/zinc/55/12/56/1028551256.db2.gz YITWYDQVWZZTCD-MRXNPFEDSA-N 1 1 302.466 3.801 20 30 DHEDMO CN(Cc1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110054 1028557380 /nfs/dbraw/zinc/55/73/80/1028557380.db2.gz WXGIKKBVDQORMY-NRFANRHFSA-N 1 1 319.452 3.512 20 30 DHEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000449384630 1028604496 /nfs/dbraw/zinc/60/44/96/1028604496.db2.gz CESAGIIAVCDNMT-GOSISDBHSA-N 1 1 310.372 3.681 20 30 DHEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000449384630 1028604506 /nfs/dbraw/zinc/60/45/06/1028604506.db2.gz CESAGIIAVCDNMT-GOSISDBHSA-N 1 1 310.372 3.681 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000370488775 1028608666 /nfs/dbraw/zinc/60/86/66/1028608666.db2.gz SKPZGMJPNQQWCW-UYAOXDASSA-N 1 1 310.441 3.738 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000370504733 1028610380 /nfs/dbraw/zinc/61/03/80/1028610380.db2.gz LNKIOQHDQHSVPD-IEBWSBKVSA-N 1 1 314.404 3.569 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3C[C@@H]4CCCCCC[C@H]43)o2)cc1 ZINC000370546712 1028615601 /nfs/dbraw/zinc/61/56/01/1028615601.db2.gz MUBHWICFGQKTIX-DLBZAZTESA-N 1 1 322.412 3.763 20 30 DHEDMO Cn1cccc1[C@H]1CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000076612872 1028679107 /nfs/dbraw/zinc/67/91/07/1028679107.db2.gz DVKVSNDNOUTWMP-LJQANCHMSA-N 1 1 309.413 3.503 20 30 DHEDMO Cc1cc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(C)s1 ZINC000371290268 1028686500 /nfs/dbraw/zinc/68/65/00/1028686500.db2.gz BCFOTJRFIYXSSN-SFHVURJKSA-N 1 1 312.438 3.810 20 30 DHEDMO Cc1cc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c(C)s1 ZINC000371290268 1028686508 /nfs/dbraw/zinc/68/65/08/1028686508.db2.gz BCFOTJRFIYXSSN-SFHVURJKSA-N 1 1 312.438 3.810 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000566241566 1028692007 /nfs/dbraw/zinc/69/20/07/1028692007.db2.gz FKWGUCKPDKCWFI-MSOLQXFVSA-N 1 1 301.430 3.642 20 30 DHEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCCCC#N ZINC000371518930 1028724457 /nfs/dbraw/zinc/72/44/57/1028724457.db2.gz UQVDXOGQEAWIBQ-JKSUJKDBSA-N 1 1 321.465 3.544 20 30 DHEDMO Cc1ncsc1CC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000371781490 1028757266 /nfs/dbraw/zinc/75/72/66/1028757266.db2.gz KXIWQFROXZGYGT-IAGOWNOFSA-N 1 1 311.454 3.766 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCSC[C@H]2C2CC2)cc1OC ZINC000449528770 1028759965 /nfs/dbraw/zinc/75/99/65/1028759965.db2.gz RUYCTKBCEIEJEL-INIZCTEOSA-N 1 1 319.470 3.587 20 30 DHEDMO C=CCCCC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816453708 1028874663 /nfs/dbraw/zinc/87/46/63/1028874663.db2.gz SZAMVWFCLJHPSF-FUHWJXTLSA-N 1 1 301.430 3.797 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000449735363 1028952456 /nfs/dbraw/zinc/95/24/56/1028952456.db2.gz QMLRIAPOIXOHLV-DNVCBOLYSA-N 1 1 323.415 3.622 20 30 DHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000449735363 1028952459 /nfs/dbraw/zinc/95/24/59/1028952459.db2.gz QMLRIAPOIXOHLV-DNVCBOLYSA-N 1 1 323.415 3.622 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000567790401 1028954229 /nfs/dbraw/zinc/95/42/29/1028954229.db2.gz ZUOOMLNFBQSWBE-WMZOPIPTSA-N 1 1 303.833 3.583 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000816621618 1028967945 /nfs/dbraw/zinc/96/79/45/1028967945.db2.gz LYRFLZVRVWSVPE-IBGZPJMESA-N 1 1 306.409 3.677 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000816621618 1028967958 /nfs/dbraw/zinc/96/79/58/1028967958.db2.gz LYRFLZVRVWSVPE-IBGZPJMESA-N 1 1 306.409 3.677 20 30 DHEDMO C=CCCCCC[N@@H+]1CCC[C@H]1c1ccc(CNC(C)=O)o1 ZINC000373294093 1029000929 /nfs/dbraw/zinc/00/09/29/1029000929.db2.gz QTRXNOXSZGHSPQ-KRWDZBQOSA-N 1 1 304.434 3.799 20 30 DHEDMO COc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c(Cl)c1 ZINC000568303658 1029042052 /nfs/dbraw/zinc/04/20/52/1029042052.db2.gz CUMJFFYYWXDWIU-UHFFFAOYSA-N 1 1 312.800 3.999 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000628405798 1029043120 /nfs/dbraw/zinc/04/31/20/1029043120.db2.gz UXIPCBQPHGXEOU-LBPRGKRZSA-N 1 1 303.356 3.753 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000411167923 1029058258 /nfs/dbraw/zinc/05/82/58/1029058258.db2.gz YTEGQVGYZDHJGX-INIZCTEOSA-N 1 1 318.436 3.718 20 30 DHEDMO COc1cc(C[N@@H+](C)CCC2(C#N)CCCCC2)ccc1O ZINC000411235921 1029073156 /nfs/dbraw/zinc/07/31/56/1029073156.db2.gz KDZCRAQPZJOLFZ-UHFFFAOYSA-N 1 1 302.418 3.697 20 30 DHEDMO Cc1[nH+]ccn1Cc1ccc(Nc2ccc(OCC#N)cc2)cc1 ZINC001212608892 1029078917 /nfs/dbraw/zinc/07/89/17/1029078917.db2.gz LJJGZMORJFLBSW-UHFFFAOYSA-N 1 1 318.380 3.886 20 30 DHEDMO Cc1nc2c(s1)CCC[C@@H]2C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000373595186 1029089759 /nfs/dbraw/zinc/08/97/59/1029089759.db2.gz PROZVZPWRRKXSI-MRXNPFEDSA-N 1 1 311.454 3.875 20 30 DHEDMO C=CC(C)(C)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000450008065 1029138573 /nfs/dbraw/zinc/13/85/73/1029138573.db2.gz DYBPYFIIXPYUPS-OAHLLOKOSA-N 1 1 316.445 3.558 20 30 DHEDMO CC[C@@H](C(=O)Nc1cc(C#N)ccc1C)[N@@H+](C)Cc1ccccc1 ZINC000568937016 1029147985 /nfs/dbraw/zinc/14/79/85/1029147985.db2.gz PZIMBWLJYXFBRS-IBGZPJMESA-N 1 1 321.424 3.716 20 30 DHEDMO C=CCCC[C@H](C)[N@@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000568979045 1029155162 /nfs/dbraw/zinc/15/51/62/1029155162.db2.gz KKKXDVWYDDVLAJ-HNNXBMFYSA-N 1 1 304.434 3.700 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCCC[C@H]1C ZINC000411606988 1029167927 /nfs/dbraw/zinc/16/79/27/1029167927.db2.gz CKYCJZFHUGIHCP-QAPCUYQASA-N 1 1 313.445 3.787 20 30 DHEDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(C#N)CCCCC1 ZINC000411693970 1029186643 /nfs/dbraw/zinc/18/66/43/1029186643.db2.gz GPUBPGYFNZACCH-MSOLQXFVSA-N 1 1 324.472 3.904 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000374256894 1029262027 /nfs/dbraw/zinc/26/20/27/1029262027.db2.gz BLDFCPXGWFBNRA-JXFKEZNVSA-N 1 1 322.408 3.631 20 30 DHEDMO COc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1O ZINC000374282005 1029272571 /nfs/dbraw/zinc/27/25/71/1029272571.db2.gz CAVNIYPOYIBIKG-UHFFFAOYSA-N 1 1 320.392 3.562 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@@H+]2CC2(C#N)CCC2)c(OC)c1 ZINC000450219065 1029274160 /nfs/dbraw/zinc/27/41/60/1029274160.db2.gz BMRJRBKPKMXUMC-INIZCTEOSA-N 1 1 300.402 3.535 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2CC2(C#N)CCC2)c(OC)c1 ZINC000450219065 1029274176 /nfs/dbraw/zinc/27/41/76/1029274176.db2.gz BMRJRBKPKMXUMC-INIZCTEOSA-N 1 1 300.402 3.535 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@@H+]2CC2(C#N)CCC2)cc1OC ZINC000450221835 1029276208 /nfs/dbraw/zinc/27/62/08/1029276208.db2.gz WQPQWCJDPKNKOO-HNNXBMFYSA-N 1 1 300.402 3.535 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2CC2(C#N)CCC2)cc1OC ZINC000450221835 1029276218 /nfs/dbraw/zinc/27/62/18/1029276218.db2.gz WQPQWCJDPKNKOO-HNNXBMFYSA-N 1 1 300.402 3.535 20 30 DHEDMO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)cc1F)CC2 ZINC000374335443 1029299921 /nfs/dbraw/zinc/29/99/21/1029299921.db2.gz ZZVNHFKXQJXOMJ-UHFFFAOYSA-N 1 1 322.383 3.501 20 30 DHEDMO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1F)CC2 ZINC000374335443 1029299936 /nfs/dbraw/zinc/29/99/36/1029299936.db2.gz ZZVNHFKXQJXOMJ-UHFFFAOYSA-N 1 1 322.383 3.501 20 30 DHEDMO CCCCCCCCCC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000818004908 1029304793 /nfs/dbraw/zinc/30/47/93/1029304793.db2.gz ICEXEVFNPWCUHW-SFHVURJKSA-N 1 1 317.477 3.695 20 30 DHEDMO CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000818050254 1029340294 /nfs/dbraw/zinc/34/02/94/1029340294.db2.gz FRGVMBDWPLPRPW-OAHLLOKOSA-N 1 1 316.405 3.552 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cn1)[C@@H](C)c1ccccc1OC ZINC000570289581 1029345957 /nfs/dbraw/zinc/34/59/57/1029345957.db2.gz CORDXSLEYNAIDF-HNNXBMFYSA-N 1 1 309.413 3.935 20 30 DHEDMO C[N@@H+](CCC#N)C1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000374564048 1029387355 /nfs/dbraw/zinc/38/73/55/1029387355.db2.gz WYTGBXBPZNOLAD-UHFFFAOYSA-N 1 1 311.351 3.520 20 30 DHEDMO C=CCCCC[N@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000570668567 1029403104 /nfs/dbraw/zinc/40/31/04/1029403104.db2.gz SAPQFWKYANTEKD-CQSZACIVSA-N 1 1 308.447 3.813 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000570668567 1029403109 /nfs/dbraw/zinc/40/31/09/1029403109.db2.gz SAPQFWKYANTEKD-CQSZACIVSA-N 1 1 308.447 3.813 20 30 DHEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1csc(Cl)c1 ZINC001276206018 1029405662 /nfs/dbraw/zinc/40/56/62/1029405662.db2.gz YQLQRIKJAYSTRJ-ZIAGYGMSSA-N 1 1 324.877 3.543 20 30 DHEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1csc(Cl)c1 ZINC001276206018 1029405669 /nfs/dbraw/zinc/40/56/69/1029405669.db2.gz YQLQRIKJAYSTRJ-ZIAGYGMSSA-N 1 1 324.877 3.543 20 30 DHEDMO N#Cc1c(Cl)cccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000450385433 1029440393 /nfs/dbraw/zinc/44/03/93/1029440393.db2.gz CGDKTQGIFQVGRK-DYVFJYSZSA-N 1 1 315.848 3.665 20 30 DHEDMO C[C@H]1C[C@@H](N(C)CC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000450477521 1029500884 /nfs/dbraw/zinc/50/08/84/1029500884.db2.gz WRNRVDGFGPGDNB-HKUYNNGSSA-N 1 1 311.473 3.665 20 30 DHEDMO C=CCC1(C(=O)N2CCC(n3c[nH+]cc3C)CC2)CCCCC1 ZINC000450711265 1029624639 /nfs/dbraw/zinc/62/46/39/1029624639.db2.gz HKDYGRZNWHRHHK-UHFFFAOYSA-N 1 1 315.461 3.882 20 30 DHEDMO Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000582373546 1029704110 /nfs/dbraw/zinc/70/41/10/1029704110.db2.gz XTZYIFOIRHHYGJ-IUODEOHRSA-N 1 1 307.235 3.882 20 30 DHEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451023393 1029759871 /nfs/dbraw/zinc/75/98/71/1029759871.db2.gz UHKOHFOQCXKAJX-HNNXBMFYSA-N 1 1 305.809 3.556 20 30 DHEDMO C=CCOCC[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451023393 1029759862 /nfs/dbraw/zinc/75/98/62/1029759862.db2.gz UHKOHFOQCXKAJX-HNNXBMFYSA-N 1 1 305.809 3.556 20 30 DHEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451006304 1029762110 /nfs/dbraw/zinc/76/21/10/1029762110.db2.gz RNCBAWJPDSLJSD-GOSISDBHSA-N 1 1 310.828 3.966 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451006304 1029762121 /nfs/dbraw/zinc/76/21/21/1029762121.db2.gz RNCBAWJPDSLJSD-GOSISDBHSA-N 1 1 310.828 3.966 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccncc3)C2)c(Cl)c1 ZINC000451000194 1029762652 /nfs/dbraw/zinc/76/26/52/1029762652.db2.gz DSESHTMQVCZDCG-INIZCTEOSA-N 1 1 311.816 3.986 20 30 DHEDMO C#CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000820820785 1029770807 /nfs/dbraw/zinc/77/08/07/1029770807.db2.gz BKLVRPFVKNFJOY-SEJPIABJSA-N 1 1 310.485 3.965 20 30 DHEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC/C=C\c3ccccc3)C2)nc1 ZINC000451056621 1029778368 /nfs/dbraw/zinc/77/83/68/1029778368.db2.gz OZIKGDPLRVPRGU-LKJUBWIJSA-N 1 1 319.408 3.510 20 30 DHEDMO N#C[C@@H]1C[N@H+](Cc2ccccc2OC2CC2)C[C@H]1c1ccccc1 ZINC000451061432 1029780379 /nfs/dbraw/zinc/78/03/79/1029780379.db2.gz LDADDGIITJKYSP-QUCCMNQESA-N 1 1 318.420 3.967 20 30 DHEDMO N#C[C@@H]1C[N@@H+](Cc2ccccc2OC2CC2)C[C@H]1c1ccccc1 ZINC000451061432 1029780385 /nfs/dbraw/zinc/78/03/85/1029780385.db2.gz LDADDGIITJKYSP-QUCCMNQESA-N 1 1 318.420 3.967 20 30 DHEDMO O[C@@H]1CCC[C@H]1[C@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000451337127 1029852018 /nfs/dbraw/zinc/85/20/18/1029852018.db2.gz FWLQMJUNMCKACZ-IPMKNSEASA-N 1 1 317.860 3.707 20 30 DHEDMO C[C@@H]1C[C@H](Nc2ncc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000413175029 1029938473 /nfs/dbraw/zinc/93/84/73/1029938473.db2.gz JGXXOFIGLWDNHE-RHSMWYFYSA-N 1 1 324.403 3.557 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@H]1CCc3cccc(F)c3C1)C2 ZINC001170983225 1029973701 /nfs/dbraw/zinc/97/37/01/1029973701.db2.gz CCEYNMAOBZVJSH-SFHVURJKSA-N 1 1 306.384 3.613 20 30 DHEDMO C[C@H](O)C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000530699303 1029974729 /nfs/dbraw/zinc/97/47/29/1029974729.db2.gz QEMRDJNFQZGERC-INIZCTEOSA-N 1 1 313.828 3.575 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNc3cccnc3C#N)cc2)C1 ZINC000357293771 1029981567 /nfs/dbraw/zinc/98/15/67/1029981567.db2.gz ASBNUVATRLRWCA-INIZCTEOSA-N 1 1 320.440 3.797 20 30 DHEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C12CCC2 ZINC000451852638 1030027620 /nfs/dbraw/zinc/02/76/20/1030027620.db2.gz OCPKTTABVIGKSE-MSOLQXFVSA-N 1 1 312.457 3.877 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451845754 1030035521 /nfs/dbraw/zinc/03/55/21/1030035521.db2.gz VKQQPJZFGJLODP-SFHVURJKSA-N 1 1 308.381 3.757 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451845754 1030035537 /nfs/dbraw/zinc/03/55/37/1030035537.db2.gz VKQQPJZFGJLODP-SFHVURJKSA-N 1 1 308.381 3.757 20 30 DHEDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000822525631 1030045079 /nfs/dbraw/zinc/04/50/79/1030045079.db2.gz KMMAVGONUOIGSF-AWEZNQCLSA-N 1 1 310.397 3.856 20 30 DHEDMO N#CC1(CCC[N@H+]2CC3(CCC3)[C@H]2c2ccco2)CCOCC1 ZINC000451867637 1030047626 /nfs/dbraw/zinc/04/76/26/1030047626.db2.gz ZGNQTDVGIBRUIH-QGZVFWFLSA-N 1 1 314.429 3.907 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000451961238 1030066839 /nfs/dbraw/zinc/06/68/39/1030066839.db2.gz DGBSYCXFIJCQRR-GOSISDBHSA-N 1 1 316.470 3.546 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000451961239 1030069115 /nfs/dbraw/zinc/06/91/15/1030069115.db2.gz DGBSYCXFIJCQRR-SFHVURJKSA-N 1 1 316.470 3.546 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c(Cl)c1 ZINC000451978025 1030078885 /nfs/dbraw/zinc/07/88/85/1030078885.db2.gz OBJXTXLVLYHTAR-MRXNPFEDSA-N 1 1 306.862 3.931 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)C1CCN(CC(F)(F)F)CC1 ZINC000452029958 1030103247 /nfs/dbraw/zinc/10/32/47/1030103247.db2.gz FVHXBLLECQNVBC-UHFFFAOYSA-N 1 1 319.415 3.665 20 30 DHEDMO C[C@H](C#N)C[N@H+](CCc1cccc(OC(F)(F)F)c1)C1CC1 ZINC000533137734 1030154942 /nfs/dbraw/zinc/15/49/42/1030154942.db2.gz AMPGSRNAUSZRSM-GFCCVEGCSA-N 1 1 312.335 3.752 20 30 DHEDMO C[C@H](C#N)C[N@@H+](CCc1cccc(OC(F)(F)F)c1)C1CC1 ZINC000533137734 1030154949 /nfs/dbraw/zinc/15/49/49/1030154949.db2.gz AMPGSRNAUSZRSM-GFCCVEGCSA-N 1 1 312.335 3.752 20 30 DHEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]1C ZINC000357716933 1030162493 /nfs/dbraw/zinc/16/24/93/1030162493.db2.gz PGGZMXGAJNNBLE-CHWSQXEVSA-N 1 1 319.836 3.661 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)C(C)C ZINC000533256434 1030227331 /nfs/dbraw/zinc/22/73/31/1030227331.db2.gz UYZNPEKUTHXKDL-LBPRGKRZSA-N 1 1 307.825 3.517 20 30 DHEDMO Cc1ccccc1[C@@H](c1noc([C@H]([NH3+])CCCC#N)n1)C(C)C ZINC000823210270 1030229591 /nfs/dbraw/zinc/22/95/91/1030229591.db2.gz PAQABUFFKRHGCI-CVEARBPZSA-N 1 1 312.417 3.860 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1CC ZINC000533287308 1030245480 /nfs/dbraw/zinc/24/54/80/1030245480.db2.gz WZTJJECCCJEHFZ-AWEZNQCLSA-N 1 1 304.459 3.778 20 30 DHEDMO CC[N@@H+](CCC#N)CCCOc1cccc(C(F)(F)F)c1 ZINC000357924881 1030247558 /nfs/dbraw/zinc/24/75/58/1030247558.db2.gz OYNHSWYWTMQASG-UHFFFAOYSA-N 1 1 300.324 3.710 20 30 DHEDMO CC[N@H+](CCC#N)CCCOc1cccc(C(F)(F)F)c1 ZINC000357924881 1030247573 /nfs/dbraw/zinc/24/75/73/1030247573.db2.gz OYNHSWYWTMQASG-UHFFFAOYSA-N 1 1 300.324 3.710 20 30 DHEDMO C[C@H]([NH2+]Cc1cnccc1C(C)(C)C)c1cccc(C#N)c1O ZINC000866373644 1030265706 /nfs/dbraw/zinc/26/57/06/1030265706.db2.gz OVPWBABJQNIUGC-ZDUSSCGKSA-N 1 1 309.413 3.807 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000823617301 1030343503 /nfs/dbraw/zinc/34/35/03/1030343503.db2.gz IBCBGPSSRQRKCQ-OAHLLOKOSA-N 1 1 305.381 3.654 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000533427145 1030347135 /nfs/dbraw/zinc/34/71/35/1030347135.db2.gz NXYAUTRYLZCWKL-UHFFFAOYSA-N 1 1 319.836 3.828 20 30 DHEDMO C#CCOc1ccccc1C[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000925420146 1030357412 /nfs/dbraw/zinc/35/74/12/1030357412.db2.gz IONAEPXTPPULCX-MRXNPFEDSA-N 1 1 312.800 3.524 20 30 DHEDMO C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001136768970 1030382338 /nfs/dbraw/zinc/38/23/38/1030382338.db2.gz VMBHXIHNTMHIQO-QXAKKESOSA-N 1 1 318.505 3.702 20 30 DHEDMO C[C@@H](O)C[N@@H+](CCC(C)(C)C#N)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000558116159 1030429803 /nfs/dbraw/zinc/42/98/03/1030429803.db2.gz VCGSNVWYLMIOJZ-LSDHHAIUSA-N 1 1 322.880 3.894 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)[C@@H]1CCc2ccc(F)cc21 ZINC000558173523 1030449067 /nfs/dbraw/zinc/44/90/67/1030449067.db2.gz PWIYAXUTKQPYNW-HXUWFJFHSA-N 1 1 324.399 3.833 20 30 DHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000358409923 1030477501 /nfs/dbraw/zinc/47/75/01/1030477501.db2.gz JRVNTSWNUGIQTR-HXUWFJFHSA-N 1 1 323.440 3.709 20 30 DHEDMO CC(C)C[C@H](C#N)Nc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001160362556 1030514853 /nfs/dbraw/zinc/51/48/53/1030514853.db2.gz GWAGWOKOKQCAQE-CQSZACIVSA-N 1 1 306.841 3.681 20 30 DHEDMO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000358562509 1030536559 /nfs/dbraw/zinc/53/65/59/1030536559.db2.gz GXSOZIMIEZZAJY-YJBOKZPZSA-N 1 1 323.415 3.622 20 30 DHEDMO C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000358562509 1030536570 /nfs/dbraw/zinc/53/65/70/1030536570.db2.gz GXSOZIMIEZZAJY-YJBOKZPZSA-N 1 1 323.415 3.622 20 30 DHEDMO C[C@@H](N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000358562507 1030536923 /nfs/dbraw/zinc/53/69/23/1030536923.db2.gz GXSOZIMIEZZAJY-QAPCUYQASA-N 1 1 323.415 3.622 20 30 DHEDMO C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000358562507 1030536935 /nfs/dbraw/zinc/53/69/35/1030536935.db2.gz GXSOZIMIEZZAJY-QAPCUYQASA-N 1 1 323.415 3.622 20 30 DHEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc2ccccc2c1 ZINC001275603189 1030542204 /nfs/dbraw/zinc/54/22/04/1030542204.db2.gz QICHSEFICRQLEL-WOJBJXKFSA-N 1 1 320.436 3.591 20 30 DHEDMO C[C@@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(C#N)cc1F ZINC000358579536 1030545670 /nfs/dbraw/zinc/54/56/70/1030545670.db2.gz WPIYBWFUJUFIJF-CQSZACIVSA-N 1 1 311.404 3.610 20 30 DHEDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C3(C#N)CC3)cc2)no1 ZINC000824575454 1030585755 /nfs/dbraw/zinc/58/57/55/1030585755.db2.gz FUKZQLSNULTDOQ-GOSISDBHSA-N 1 1 307.397 3.875 20 30 DHEDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C3(C#N)CC3)cc2)no1 ZINC000824575454 1030585761 /nfs/dbraw/zinc/58/57/61/1030585761.db2.gz FUKZQLSNULTDOQ-GOSISDBHSA-N 1 1 307.397 3.875 20 30 DHEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c(C#N)cnc3ccc(C)cc32)C1 ZINC000291767854 1030636293 /nfs/dbraw/zinc/63/62/93/1030636293.db2.gz BNXLOQHESKOXOD-INIZCTEOSA-N 1 1 322.456 3.583 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@H]1C ZINC000247226080 1030683769 /nfs/dbraw/zinc/68/37/69/1030683769.db2.gz WCJMBWFBPHCXCO-HOTGVXAUSA-N 1 1 308.429 3.694 20 30 DHEDMO CC[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000247261779 1030684087 /nfs/dbraw/zinc/68/40/87/1030684087.db2.gz XCJFBDZEXXLEOF-UONOGXRCSA-N 1 1 319.474 3.750 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558734399 1030755787 /nfs/dbraw/zinc/75/57/87/1030755787.db2.gz HQLPTDBJBORSOP-AWEZNQCLSA-N 1 1 309.369 3.702 20 30 DHEDMO N#CC1(c2ccccc2)CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC001137041073 1030818602 /nfs/dbraw/zinc/81/86/02/1030818602.db2.gz IYZGHNIXMDTLEK-UHFFFAOYSA-N 1 1 316.408 3.620 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)cc(OC)c1 ZINC000536642816 1030896067 /nfs/dbraw/zinc/89/60/67/1030896067.db2.gz ASPCRTZOKFKPND-UHFFFAOYSA-N 1 1 324.424 3.988 20 30 DHEDMO CC(C)(C#N)CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926875335 1030961292 /nfs/dbraw/zinc/96/12/92/1030961292.db2.gz YWDXUETZIKQUJS-YQQQUEKLSA-N 1 1 311.473 3.711 20 30 DHEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)Cc2ccccc21 ZINC000844255764 1031040279 /nfs/dbraw/zinc/04/02/79/1031040279.db2.gz DXISIBSYLHQXTQ-OAHLLOKOSA-N 1 1 319.408 3.506 20 30 DHEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCCSCC#N)[C@@H]2C ZINC000359652846 1031080156 /nfs/dbraw/zinc/08/01/56/1031080156.db2.gz NOKQTPCTQWQQFG-ZIAGYGMSSA-N 1 1 304.459 3.650 20 30 DHEDMO COc1ccc(Cl)c2c1CCC[C@@H]2[N@@H+](C)CCO[C@@H](C)C#N ZINC000844443047 1031145643 /nfs/dbraw/zinc/14/56/43/1031145643.db2.gz HVRLPLUCUVZHNL-WFASDCNBSA-N 1 1 322.836 3.586 20 30 DHEDMO C=CCCn1cc(C[N@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)nn1 ZINC000653712468 1031170760 /nfs/dbraw/zinc/17/07/60/1031170760.db2.gz GLJVJJFQCFWMJV-JTDSTZFVSA-N 1 1 310.445 3.621 20 30 DHEDMO CC1(C)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]2CCC[C@H]21 ZINC000293048318 1031302499 /nfs/dbraw/zinc/30/24/99/1031302499.db2.gz MPABYXSVFPKKKA-HZPDHXFCSA-N 1 1 322.412 3.619 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@H](OC(C)C)C2)c(O)c(OC)c1 ZINC000844721798 1031303160 /nfs/dbraw/zinc/30/31/60/1031303160.db2.gz XOFQMYIVSPSDPW-KRWDZBQOSA-N 1 1 319.445 3.519 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000536669104 1031379881 /nfs/dbraw/zinc/37/98/81/1031379881.db2.gz SXKHENAZHIYXJF-UHFFFAOYSA-N 1 1 324.380 3.718 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000536669104 1031379890 /nfs/dbraw/zinc/37/98/90/1031379890.db2.gz SXKHENAZHIYXJF-UHFFFAOYSA-N 1 1 324.380 3.718 20 30 DHEDMO C[N@H+](CCCCC1(C#N)CCC1)Cc1cnn(-c2ccccc2)n1 ZINC000929261461 1031477735 /nfs/dbraw/zinc/47/77/35/1031477735.db2.gz IKRPEMWQIMNRJW-UHFFFAOYSA-N 1 1 323.444 3.563 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)Cc1cnn(-c2ccccc2)n1 ZINC000929261461 1031477754 /nfs/dbraw/zinc/47/77/54/1031477754.db2.gz IKRPEMWQIMNRJW-UHFFFAOYSA-N 1 1 323.444 3.563 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000537038550 1031492417 /nfs/dbraw/zinc/49/24/17/1031492417.db2.gz ROEDXMDHVMCLFD-QGZVFWFLSA-N 1 1 306.494 3.846 20 30 DHEDMO CC(C)N1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360655541 1031507181 /nfs/dbraw/zinc/50/71/81/1031507181.db2.gz DGNLRGLIZGDTNM-HXUWFJFHSA-N 1 1 311.473 3.788 20 30 DHEDMO CC(C)[NH+]1CCC(N[C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360655541 1031507190 /nfs/dbraw/zinc/50/71/90/1031507190.db2.gz DGNLRGLIZGDTNM-HXUWFJFHSA-N 1 1 311.473 3.788 20 30 DHEDMO C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360663457 1031512666 /nfs/dbraw/zinc/51/26/66/1031512666.db2.gz JQVNHHANLGFWGK-NSHGMRRFSA-N 1 1 311.473 3.788 20 30 DHEDMO C#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000872139708 1031533310 /nfs/dbraw/zinc/53/33/10/1031533310.db2.gz OASJLEOHSKPAKA-WSJSTIOHSA-N 1 1 322.496 3.964 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000929506458 1031533508 /nfs/dbraw/zinc/53/35/08/1031533508.db2.gz ALLUNDXLJKILEG-DQPZFDDXSA-N 1 1 312.413 3.882 20 30 DHEDMO C#CCC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000360733689 1031540977 /nfs/dbraw/zinc/54/09/77/1031540977.db2.gz MJCNTMZGAWNYGR-CQSZACIVSA-N 1 1 315.804 3.593 20 30 DHEDMO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1N(C)C)c1cccc(C#N)c1 ZINC000360758834 1031549502 /nfs/dbraw/zinc/54/95/02/1031549502.db2.gz JCDCWHRBNVTFJC-ONGXBYRLSA-N 1 1 319.452 3.827 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2ccc(C(C)C)cc2)no1 ZINC000872173497 1031550187 /nfs/dbraw/zinc/55/01/87/1031550187.db2.gz PVJHLRXBWJMCIG-AWEZNQCLSA-N 1 1 305.809 3.926 20 30 DHEDMO C#CCOc1ccccc1C[NH2+]Cc1ccccc1OC(F)F ZINC000123968461 1031550775 /nfs/dbraw/zinc/55/07/75/1031550775.db2.gz DXYOACDYKRODOA-UHFFFAOYSA-N 1 1 317.335 3.590 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cccc(C(C)(F)F)c2)no1 ZINC000872184756 1031553930 /nfs/dbraw/zinc/55/39/30/1031553930.db2.gz YIVZRKIRYNAJKH-LLVKDONJSA-N 1 1 313.735 3.991 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872282717 1031574163 /nfs/dbraw/zinc/57/41/63/1031574163.db2.gz SHVSAUUUWXGELJ-INIZCTEOSA-N 1 1 302.393 3.621 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872282717 1031574183 /nfs/dbraw/zinc/57/41/83/1031574183.db2.gz SHVSAUUUWXGELJ-INIZCTEOSA-N 1 1 302.393 3.621 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c1F ZINC000872282056 1031576483 /nfs/dbraw/zinc/57/64/83/1031576483.db2.gz ZYASDXMQHIXEPV-QGZVFWFLSA-N 1 1 302.393 3.621 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCN(C2CCC2)CC1 ZINC000360837034 1031580509 /nfs/dbraw/zinc/58/05/09/1031580509.db2.gz OICUXKOSRLMZKX-NRFANRHFSA-N 1 1 323.484 3.932 20 30 DHEDMO C[N@H+](CCN[C@@H]1CCCCc2cc(C#N)ccc21)C1CCCC1 ZINC000360842095 1031586311 /nfs/dbraw/zinc/58/63/11/1031586311.db2.gz VGSFCJHVKPGFDV-HXUWFJFHSA-N 1 1 311.473 3.790 20 30 DHEDMO C[N@@H+](CCN[C@@H]1CCCCc2cc(C#N)ccc21)C1CCCC1 ZINC000360842095 1031586320 /nfs/dbraw/zinc/58/63/20/1031586320.db2.gz VGSFCJHVKPGFDV-HXUWFJFHSA-N 1 1 311.473 3.790 20 30 DHEDMO C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCCC2(C#N)CCC2)C1 ZINC000929762798 1031599250 /nfs/dbraw/zinc/59/92/50/1031599250.db2.gz IZJPIBCSFGICLB-GOSISDBHSA-N 1 1 303.494 3.514 20 30 DHEDMO C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000929762798 1031599257 /nfs/dbraw/zinc/59/92/57/1031599257.db2.gz IZJPIBCSFGICLB-GOSISDBHSA-N 1 1 303.494 3.514 20 30 DHEDMO C[N@H+](CC1CC1)C[C@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000929762798 1031599278 /nfs/dbraw/zinc/59/92/78/1031599278.db2.gz IZJPIBCSFGICLB-GOSISDBHSA-N 1 1 303.494 3.514 20 30 DHEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000929762798 1031599289 /nfs/dbraw/zinc/59/92/89/1031599289.db2.gz IZJPIBCSFGICLB-GOSISDBHSA-N 1 1 303.494 3.514 20 30 DHEDMO C[N@@H+](Cc1nc(C(F)(F)F)cs1)CC1CCC(C#N)CC1 ZINC000929765360 1031602275 /nfs/dbraw/zinc/60/22/75/1031602275.db2.gz IPXLFNWHXYDFMH-UHFFFAOYSA-N 1 1 317.380 3.924 20 30 DHEDMO C[N@H+](Cc1nc(C(F)(F)F)cs1)CC1CCC(C#N)CC1 ZINC000929765360 1031602279 /nfs/dbraw/zinc/60/22/79/1031602279.db2.gz IPXLFNWHXYDFMH-UHFFFAOYSA-N 1 1 317.380 3.924 20 30 DHEDMO CSc1nnc(SC)n1[NH+]=C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000872417575 1031604617 /nfs/dbraw/zinc/60/46/17/1031604617.db2.gz FPSBZISVPBVLNK-IUODEOHRSA-N 1 1 318.471 3.750 20 30 DHEDMO N#CC1CCC(C[N@H+](CCO)[C@H]2CCCc3ccccc32)CC1 ZINC000929976780 1031665759 /nfs/dbraw/zinc/66/57/59/1031665759.db2.gz CEVBDGCPIDYBBQ-UHYCVJNDSA-N 1 1 312.457 3.688 20 30 DHEDMO C#CCCCCCC[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000930053007 1031684870 /nfs/dbraw/zinc/68/48/70/1031684870.db2.gz UJFAUKFZSYXPIO-KRWDZBQOSA-N 1 1 302.466 3.622 20 30 DHEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000930053008 1031685446 /nfs/dbraw/zinc/68/54/46/1031685446.db2.gz UJFAUKFZSYXPIO-QGZVFWFLSA-N 1 1 302.466 3.622 20 30 DHEDMO C#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)cc1 ZINC001144581283 1031718520 /nfs/dbraw/zinc/71/85/20/1031718520.db2.gz OKQZRZOQVSWNEB-ROUUACIJSA-N 1 1 322.839 3.784 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)cc1 ZINC001144581283 1031718532 /nfs/dbraw/zinc/71/85/32/1031718532.db2.gz OKQZRZOQVSWNEB-ROUUACIJSA-N 1 1 322.839 3.784 20 30 DHEDMO C=CCN(CC=C)[C@@H](C[NH2+][C@H](C)c1csc(C)n1)C(C)C ZINC000361098559 1031726202 /nfs/dbraw/zinc/72/62/02/1031726202.db2.gz UEJKHYYXGNRRML-PBHICJAKSA-N 1 1 307.507 3.801 20 30 DHEDMO CCC[C@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(F)cc1F ZINC000930233402 1031746674 /nfs/dbraw/zinc/74/66/74/1031746674.db2.gz PJAMRLWYUWVDDP-KRWDZBQOSA-N 1 1 301.340 3.862 20 30 DHEDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000930308528 1031775777 /nfs/dbraw/zinc/77/57/77/1031775777.db2.gz QRUHKQNPIMKKGV-JCYILVPMSA-N 1 1 300.450 3.760 20 30 DHEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1)[C@@H]1CCCO1 ZINC000845955337 1031776925 /nfs/dbraw/zinc/77/69/25/1031776925.db2.gz BZYYABDJDCGJDE-QSFXBCCZSA-N 1 1 306.409 3.580 20 30 DHEDMO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)C2 ZINC001171202790 1031780352 /nfs/dbraw/zinc/78/03/52/1031780352.db2.gz GPXKYGDEKNEXEH-HNNXBMFYSA-N 1 1 306.409 3.556 20 30 DHEDMO C#CC1CC[NH+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC001144689766 1031848047 /nfs/dbraw/zinc/84/80/47/1031848047.db2.gz LTPWSQBQUIQWEA-UHFFFAOYSA-N 1 1 312.638 3.948 20 30 DHEDMO N#CCCC[C@H]([NH2+]Cc1c(F)cncc1F)c1ccccc1 ZINC000930567725 1031871193 /nfs/dbraw/zinc/87/11/93/1031871193.db2.gz OOIKIPTWHBVABO-KRWDZBQOSA-N 1 1 301.340 3.885 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000930610302 1031887484 /nfs/dbraw/zinc/88/74/84/1031887484.db2.gz CNGVKNDFRXFUFF-KSZLIROESA-N 1 1 318.848 3.727 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000930716647 1031927207 /nfs/dbraw/zinc/92/72/07/1031927207.db2.gz ZKHXFXKFVCIDSV-ZWKOTPCHSA-N 1 1 312.800 3.520 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000930716647 1031927221 /nfs/dbraw/zinc/92/72/21/1031927221.db2.gz ZKHXFXKFVCIDSV-ZWKOTPCHSA-N 1 1 312.800 3.520 20 30 DHEDMO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC(C)(C)C1 ZINC000361472310 1031940663 /nfs/dbraw/zinc/94/06/63/1031940663.db2.gz XAVISJYEGNBVNJ-OAHLLOKOSA-N 1 1 310.401 3.619 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001171221284 1031959983 /nfs/dbraw/zinc/95/99/83/1031959983.db2.gz JZRPJJAQIZWPGO-YWZLYKJASA-N 1 1 324.399 3.782 20 30 DHEDMO CCC[N@@H+](Cc1cc(C#N)n(C)c1)[C@H](C)c1ccccc1OC ZINC000361510992 1031964227 /nfs/dbraw/zinc/96/42/27/1031964227.db2.gz NPFFJLAVYFTIFV-OAHLLOKOSA-N 1 1 311.429 3.879 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001171221766 1031964796 /nfs/dbraw/zinc/96/47/96/1031964796.db2.gz UKVHOOQMOKERIY-OXJNMPFZSA-N 1 1 305.425 3.591 20 30 DHEDMO C=CCCCCCCCCC(=O)N1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001144797882 1031969775 /nfs/dbraw/zinc/96/97/75/1031969775.db2.gz SFQGADXPOKZPLH-QZTJIDSGSA-N 1 1 306.494 3.846 20 30 DHEDMO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000930934231 1031989160 /nfs/dbraw/zinc/98/91/60/1031989160.db2.gz IOJSCIDSYJKUGV-PKOBYXMFSA-N 1 1 314.473 3.617 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)cc1C#N ZINC000361570917 1031990256 /nfs/dbraw/zinc/99/02/56/1031990256.db2.gz GRHCQPKQOYYHCS-OAQYLSRUSA-N 1 1 319.452 3.767 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001171227873 1031991239 /nfs/dbraw/zinc/99/12/39/1031991239.db2.gz BQQQIRSLNJZPAE-MRXNPFEDSA-N 1 1 307.441 3.687 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001171230728 1031995739 /nfs/dbraw/zinc/99/57/39/1031995739.db2.gz GFNYBHPWWBTUHF-XGHQBKJUSA-N 1 1 320.436 3.951 20 30 DHEDMO C=C[C@H](C)ONC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000846551027 1031996707 /nfs/dbraw/zinc/99/67/07/1031996707.db2.gz QDGCJGCAPMSCBM-INIZCTEOSA-N 1 1 324.424 3.555 20 30 DHEDMO CCC[N@@H+](Cc1cc(C#N)n(C)c1)[C@H]1CCCc2cccnc21 ZINC000361584307 1032000405 /nfs/dbraw/zinc/00/04/05/1032000405.db2.gz DVKBHBBRFDBDGC-SFHVURJKSA-N 1 1 308.429 3.581 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC001171231701 1032001047 /nfs/dbraw/zinc/00/10/47/1032001047.db2.gz LBRVROLTAGXLPW-CYBMUJFWSA-N 1 1 312.363 3.826 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000931062704 1032022746 /nfs/dbraw/zinc/02/27/46/1032022746.db2.gz SOQRTHHSPYEQNA-WMLDXEAASA-N 1 1 315.461 3.753 20 30 DHEDMO Oc1ccc2ccccc2c1/C=N\[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000846756697 1032051662 /nfs/dbraw/zinc/05/16/62/1032051662.db2.gz KQYCXUZLJSCDAZ-OVYLHQNISA-N 1 1 308.425 3.981 20 30 DHEDMO N#Cc1cncc(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000931161233 1032055529 /nfs/dbraw/zinc/05/55/29/1032055529.db2.gz TZMNZNXVGZEMIN-INIZCTEOSA-N 1 1 313.351 3.611 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000877488970 1033318878 /nfs/dbraw/zinc/31/88/78/1033318878.db2.gz JTMZCLPRGGJVHC-WMZOPIPTSA-N 1 1 314.429 3.524 20 30 DHEDMO C=CCOC(=O)N[C@H]1CCC[N@H+](C2CCC3(CCCC3)CC2)C1 ZINC001172730404 1033332136 /nfs/dbraw/zinc/33/21/36/1033332136.db2.gz GOGZCYWDWIJYJJ-INIZCTEOSA-N 1 1 320.477 3.866 20 30 DHEDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)cnc2Cl)c2ccccc2O1 ZINC000877562641 1033359023 /nfs/dbraw/zinc/35/90/23/1033359023.db2.gz YHYUHAKWDYPOHE-IAQYHMDHSA-N 1 1 313.788 3.609 20 30 DHEDMO C[C@H]([NH2+]Cc1nc2ccc(Cl)cc2n1C)c1ccc(C#N)cc1 ZINC000478251911 1033437745 /nfs/dbraw/zinc/43/77/45/1033437745.db2.gz PCANAGIDJNLJJI-LBPRGKRZSA-N 1 1 324.815 3.949 20 30 DHEDMO C=CCCCC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172991133 1033501726 /nfs/dbraw/zinc/50/17/26/1033501726.db2.gz UPWFWIKSSUSBAN-HOTGVXAUSA-N 1 1 321.465 3.566 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1cccs1)c1ccccc1 ZINC000877932762 1033521941 /nfs/dbraw/zinc/52/19/41/1033521941.db2.gz ZEEYJZBNWCSFJF-SFHVURJKSA-N 1 1 312.438 3.621 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1cccs1)c1ccccc1 ZINC000877932762 1033521944 /nfs/dbraw/zinc/52/19/44/1033521944.db2.gz ZEEYJZBNWCSFJF-SFHVURJKSA-N 1 1 312.438 3.621 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](CCC(C)C)C1CC1)c1ccccc1 ZINC000877966271 1033534946 /nfs/dbraw/zinc/53/49/46/1033534946.db2.gz FRMCDTDFXHRUAM-HXUWFJFHSA-N 1 1 312.457 3.938 20 30 DHEDMO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC001173086298 1033537535 /nfs/dbraw/zinc/53/75/35/1033537535.db2.gz UKVLNHVZXAHBRI-IUODEOHRSA-N 1 1 312.335 3.752 20 30 DHEDMO CCC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)CC(C)C ZINC000878007218 1033551018 /nfs/dbraw/zinc/55/10/18/1033551018.db2.gz PBEJHJLUFZXIGE-LJQANCHMSA-N 1 1 300.446 3.795 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)C(C1CC1)C1CC1)c1ccccc1 ZINC000878018011 1033556088 /nfs/dbraw/zinc/55/60/88/1033556088.db2.gz GDDNPUMXTVNWFK-HXUWFJFHSA-N 1 1 310.441 3.547 20 30 DHEDMO C#CCCCCC[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000878119317 1033585872 /nfs/dbraw/zinc/58/58/72/1033585872.db2.gz NYZRFUGPZGWTIQ-IBGZPJMESA-N 1 1 313.420 3.774 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000878151368 1033596557 /nfs/dbraw/zinc/59/65/57/1033596557.db2.gz AKXUGZDUSYTROW-OTWHNJEPSA-N 1 1 310.441 3.717 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000878151368 1033596563 /nfs/dbraw/zinc/59/65/63/1033596563.db2.gz AKXUGZDUSYTROW-OTWHNJEPSA-N 1 1 310.441 3.717 20 30 DHEDMO CC[C@@]1(C)CCC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878147636 1033596776 /nfs/dbraw/zinc/59/67/76/1033596776.db2.gz HNBRAABEXOUIGW-PMACEKPBSA-N 1 1 312.457 3.939 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000878153988 1033601389 /nfs/dbraw/zinc/60/13/89/1033601389.db2.gz SLKNQUBZDBNXSS-IPMKNSEASA-N 1 1 310.441 3.860 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000878153988 1033601395 /nfs/dbraw/zinc/60/13/95/1033601395.db2.gz SLKNQUBZDBNXSS-IPMKNSEASA-N 1 1 310.441 3.860 20 30 DHEDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](CCC#N)Cc1ccccc1 ZINC001173224869 1033603654 /nfs/dbraw/zinc/60/36/54/1033603654.db2.gz HLUPMNIFTNSQCE-MRXNPFEDSA-N 1 1 323.396 3.942 20 30 DHEDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](CCC#N)Cc1ccccc1 ZINC001173224869 1033603659 /nfs/dbraw/zinc/60/36/59/1033603659.db2.gz HLUPMNIFTNSQCE-MRXNPFEDSA-N 1 1 323.396 3.942 20 30 DHEDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001173229866 1033606590 /nfs/dbraw/zinc/60/65/90/1033606590.db2.gz BCANEFAVERAUBC-CQSZACIVSA-N 1 1 309.369 3.529 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@H](CC)C1)CC2 ZINC001173273803 1033643184 /nfs/dbraw/zinc/64/31/84/1033643184.db2.gz BQQRSVLXQPTJNP-SCTDSRPQSA-N 1 1 304.478 3.598 20 30 DHEDMO CC[C@H](CSC)[N@@H+](C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878343588 1033663620 /nfs/dbraw/zinc/66/36/20/1033663620.db2.gz FTIITGRGUVLILH-QZTJIDSGSA-N 1 1 318.486 3.500 20 30 DHEDMO CCSC[C@@H](C)[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001173312598 1033665602 /nfs/dbraw/zinc/66/56/02/1033665602.db2.gz UPFZWFCHSJGZPP-RHSMWYFYSA-N 1 1 304.459 3.543 20 30 DHEDMO CC[N@H+](Cc1ccccc1Cl)C[C@H](O)c1ccc(C#N)cc1 ZINC000127079628 1033672897 /nfs/dbraw/zinc/67/28/97/1033672897.db2.gz VLKJHKIHPJKZTN-SFHVURJKSA-N 1 1 314.816 3.767 20 30 DHEDMO CCCCCCCCC[C@H](CCC)[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001173285140 1033677666 /nfs/dbraw/zinc/67/76/66/1033677666.db2.gz OOSCRPQPWBKMLV-FHWLQOOXSA-N 1 1 313.526 3.971 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCc3ccc(C(C)=O)cc3C2)CC1 ZINC001173326765 1033685327 /nfs/dbraw/zinc/68/53/27/1033685327.db2.gz PXKMGNQDEANZRH-UHFFFAOYSA-N 1 1 313.441 3.761 20 30 DHEDMO C=CCOC1CCC([N@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001173323420 1033685552 /nfs/dbraw/zinc/68/55/52/1033685552.db2.gz XWUSEQWSQHUQHV-UHFFFAOYSA-N 1 1 302.462 3.698 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)CC1 ZINC001173322735 1033686007 /nfs/dbraw/zinc/68/60/07/1033686007.db2.gz KLGOQRCVGDBSSL-LMDPOFIKSA-N 1 1 313.441 3.705 20 30 DHEDMO C=CCOC1CCC([N@H+](C2CCCC2)C2CCN(C)CC2)CC1 ZINC001173325943 1033686102 /nfs/dbraw/zinc/68/61/02/1033686102.db2.gz UGKGOJQMDVCMEX-UHFFFAOYSA-N 1 1 320.521 3.839 20 30 DHEDMO C=CCOC1CCC([N@@H+](C)Cc2cnc(Cl)s2)CC1 ZINC001173321758 1033686237 /nfs/dbraw/zinc/68/62/37/1033686237.db2.gz OPKMGTIOVKCJNX-UHFFFAOYSA-N 1 1 300.855 3.742 20 30 DHEDMO CC[C@H](C)[C@H]([NH2+]C1CCC(CC#N)CC1)C(=O)OC(C)(C)C ZINC001173329898 1033688407 /nfs/dbraw/zinc/68/84/07/1033688407.db2.gz PEHDQINIZCHNIZ-LBDPXKHJSA-N 1 1 308.466 3.805 20 30 DHEDMO C=C[C@@H]1C[C@@]1([NH2+][C@H]1CCCC2(CCCCC2)C1)C(=O)OCC ZINC001173342176 1033696806 /nfs/dbraw/zinc/69/68/06/1033696806.db2.gz WHEUHMDOZZCBMH-GJYPPUQNSA-N 1 1 305.462 3.977 20 30 DHEDMO CC[N@H+]1CC[C@@H](N(C2=CC(=O)CCC2)[C@H](C)c2ccccc2)C1 ZINC001173375510 1033719737 /nfs/dbraw/zinc/71/97/37/1033719737.db2.gz VUIWWLYYBBZPQO-VQIMIIECSA-N 1 1 312.457 3.781 20 30 DHEDMO CCCCCCCC[N@@H+](CCN)[C@H](C)CCCCC(=O)OC ZINC001173441430 1033728099 /nfs/dbraw/zinc/72/80/99/1033728099.db2.gz PYMBSODGSDHYCT-QGZVFWFLSA-N 1 1 314.514 3.730 20 30 DHEDMO CCCCCCCC[N@@H+](CCN)[C@@H](C)CCCCC(=O)OC ZINC001173441429 1033728205 /nfs/dbraw/zinc/72/82/05/1033728205.db2.gz PYMBSODGSDHYCT-KRWDZBQOSA-N 1 1 314.514 3.730 20 30 DHEDMO CC(C)Oc1ccccc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001137134308 1033759977 /nfs/dbraw/zinc/75/99/77/1033759977.db2.gz OCDOHPKUPPTLMO-UHFFFAOYSA-N 1 1 306.409 3.904 20 30 DHEDMO CC(C)Oc1ccccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001137134308 1033759992 /nfs/dbraw/zinc/75/99/92/1033759992.db2.gz OCDOHPKUPPTLMO-UHFFFAOYSA-N 1 1 306.409 3.904 20 30 DHEDMO CCOC(=O)[C@@]1(C)CCCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173594233 1033782180 /nfs/dbraw/zinc/78/21/80/1033782180.db2.gz WAXNRAVTLOCXLS-VJFUWPCTSA-N 1 1 306.450 3.514 20 30 DHEDMO C[N@@H+](Cc1cncc(Br)c1)C1CCC(C)(C#N)CC1 ZINC001173595843 1033782291 /nfs/dbraw/zinc/78/22/91/1033782291.db2.gz ZFJAKRKQKUENCO-UHFFFAOYSA-N 1 1 322.250 3.748 20 30 DHEDMO CC(C)(C)OC(=O)C[C@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173600798 1033787892 /nfs/dbraw/zinc/78/78/92/1033787892.db2.gz JMGSZJOWPJKTSV-KSTDHSDQSA-N 1 1 306.450 3.513 20 30 DHEDMO C#CCCCCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000878700593 1033803943 /nfs/dbraw/zinc/80/39/43/1033803943.db2.gz FHFFVOPYDOPJSM-OAHLLOKOSA-N 1 1 317.395 3.861 20 30 DHEDMO CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)C1CC(C)(C)C1 ZINC000878712238 1033806158 /nfs/dbraw/zinc/80/61/58/1033806158.db2.gz ALVKPEJPBRGBLD-HXUWFJFHSA-N 1 1 312.457 3.938 20 30 DHEDMO COc1ccc(C[NH2+][C@@H](C)CC#N)cc1SC(F)(F)F ZINC000878817910 1033835800 /nfs/dbraw/zinc/83/58/00/1033835800.db2.gz YKABQSSZYZBXOZ-VIFPVBQESA-N 1 1 304.337 3.699 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000862443705 1033854969 /nfs/dbraw/zinc/85/49/69/1033854969.db2.gz SEXBTJNJCFUHOX-AWEZNQCLSA-N 1 1 312.438 3.664 20 30 DHEDMO C=CC[C@H]1CC[N@@H+](Cc2cc(Br)cnc2Cl)C1 ZINC000862440653 1033855042 /nfs/dbraw/zinc/85/50/42/1033855042.db2.gz JPSGLIRJSCUKKF-JTQLQIEISA-N 1 1 315.642 3.896 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2cc(Br)cnc2Cl)C1 ZINC000862440653 1033855049 /nfs/dbraw/zinc/85/50/49/1033855049.db2.gz JPSGLIRJSCUKKF-JTQLQIEISA-N 1 1 315.642 3.896 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000862443706 1033855559 /nfs/dbraw/zinc/85/55/59/1033855559.db2.gz SEXBTJNJCFUHOX-CQSZACIVSA-N 1 1 312.438 3.664 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000862441768 1033855734 /nfs/dbraw/zinc/85/57/34/1033855734.db2.gz VVSNBOSEDCDGDN-AWEZNQCLSA-N 1 1 317.433 3.827 20 30 DHEDMO CC1(C)C[C@H]([N@H+](Cc2ccc(C#N)o2)Cc2ccccc2)CO1 ZINC000878888397 1033857826 /nfs/dbraw/zinc/85/78/26/1033857826.db2.gz OSWWAYKCPRNIAY-INIZCTEOSA-N 1 1 310.397 3.721 20 30 DHEDMO CC1(C)C[C@H]([N@@H+](Cc2ccc(C#N)o2)Cc2ccccc2)CO1 ZINC000878888397 1033857845 /nfs/dbraw/zinc/85/78/45/1033857845.db2.gz OSWWAYKCPRNIAY-INIZCTEOSA-N 1 1 310.397 3.721 20 30 DHEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000878951394 1033877005 /nfs/dbraw/zinc/87/70/05/1033877005.db2.gz JWIYUQKOWSOZAU-YOEHRIQHSA-N 1 1 320.502 3.850 20 30 DHEDMO C=CCCC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000878960243 1033878941 /nfs/dbraw/zinc/87/89/41/1033878941.db2.gz ITPNUZZMQPJGTQ-WDSOQIARSA-N 1 1 314.473 3.725 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1 ZINC000862541299 1033883341 /nfs/dbraw/zinc/88/33/41/1033883341.db2.gz SQIFRMWDRKXOQV-QAPCUYQASA-N 1 1 322.408 3.673 20 30 DHEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(Br)c3)CC2)o1 ZINC000174422585 1033931645 /nfs/dbraw/zinc/93/16/45/1033931645.db2.gz VIQBSTFEUNMPOJ-UHFFFAOYSA-N 1 1 317.186 3.693 20 30 DHEDMO C[N@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@H]1C#N ZINC000879308625 1033979260 /nfs/dbraw/zinc/97/92/60/1033979260.db2.gz FJOIJQSEHQQBEV-TUKIKUTGSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@H]1C#N ZINC000879308625 1033979268 /nfs/dbraw/zinc/97/92/68/1033979268.db2.gz FJOIJQSEHQQBEV-TUKIKUTGSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCC[C@@H]1C#N ZINC000879310285 1033979360 /nfs/dbraw/zinc/97/93/60/1033979360.db2.gz SKNQBQITWQQDKC-KMUNFCNLSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)[C@@H]1CCC[C@@H]1C#N ZINC000879310285 1033979366 /nfs/dbraw/zinc/97/93/66/1033979366.db2.gz SKNQBQITWQQDKC-KMUNFCNLSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)[C@H]1CCC[C@H]1C#N ZINC000879308346 1033979526 /nfs/dbraw/zinc/97/95/26/1033979526.db2.gz AJBMGLFJDWBBSQ-HOTGVXAUSA-N 1 1 323.481 3.696 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cnc4ccccc4c3)sc2C1 ZINC001174001518 1034032711 /nfs/dbraw/zinc/03/27/11/1034032711.db2.gz VNUDKDOHHDXKQX-UHFFFAOYSA-N 1 1 320.421 3.899 20 30 DHEDMO CC(C)(C)OC(=O)NC[C@]1(C(C)(C)C)CC[N@@H+](CCCC#N)C1 ZINC000879653729 1034074071 /nfs/dbraw/zinc/07/40/71/1034074071.db2.gz UUNXOPQIMQWAGW-GOSISDBHSA-N 1 1 323.481 3.553 20 30 DHEDMO N#Cc1cc(Nc2cc[nH+]c3ccccc23)ccc1N1CCCC1 ZINC001174039908 1034095409 /nfs/dbraw/zinc/09/54/09/1034095409.db2.gz HSZDRSFNTGBSHB-UHFFFAOYSA-N 1 1 314.392 3.872 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879749103 1034109707 /nfs/dbraw/zinc/10/97/07/1034109707.db2.gz DAVHRMGTDNIJDX-SFHVURJKSA-N 1 1 307.397 3.607 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879749103 1034109711 /nfs/dbraw/zinc/10/97/11/1034109711.db2.gz DAVHRMGTDNIJDX-SFHVURJKSA-N 1 1 307.397 3.607 20 30 DHEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(C(F)(F)F)nc1 ZINC000880103738 1034212108 /nfs/dbraw/zinc/21/21/08/1034212108.db2.gz ZNMIVXCBCBQTJB-JTQLQIEISA-N 1 1 323.293 3.962 20 30 DHEDMO C[C@@H]1CCSCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000794571319 1034222586 /nfs/dbraw/zinc/22/25/86/1034222586.db2.gz ZTKHMZXZLURWHA-GFCCVEGCSA-N 1 1 310.850 3.570 20 30 DHEDMO CSCCON=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000794575057 1034230873 /nfs/dbraw/zinc/23/08/73/1034230873.db2.gz VUCKOLZDYKTFGH-IAGOWNOFSA-N 1 1 318.486 3.654 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1CCCSC[C@@H]1c1ccccc1OC ZINC000880173982 1034232875 /nfs/dbraw/zinc/23/28/75/1034232875.db2.gz KTEYNHGOBVWFPI-DOTOQJQBSA-N 1 1 321.486 3.502 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CF)C2)c(Br)c1 ZINC000880237223 1034258859 /nfs/dbraw/zinc/25/88/59/1034258859.db2.gz TWZQRCBWBKXODI-GFCCVEGCSA-N 1 1 311.198 3.502 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CF)C2)c(Br)c1 ZINC000880237223 1034258871 /nfs/dbraw/zinc/25/88/71/1034258871.db2.gz TWZQRCBWBKXODI-GFCCVEGCSA-N 1 1 311.198 3.502 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000880317547 1034293427 /nfs/dbraw/zinc/29/34/27/1034293427.db2.gz PUOZDHSXOGLMFI-AWEZNQCLSA-N 1 1 302.830 3.638 20 30 DHEDMO CC[N@@H+](Cc1cc(OC)ccc1O)[C@H](C)c1ccc(C#N)cc1 ZINC000179722627 1034331250 /nfs/dbraw/zinc/33/12/50/1034331250.db2.gz WDOZGMXQZKUORA-CQSZACIVSA-N 1 1 310.397 3.856 20 30 DHEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1cc(C)cs1)C2 ZINC001137154411 1034343372 /nfs/dbraw/zinc/34/33/72/1034343372.db2.gz GPIFMAUXHOVMAJ-SFHVURJKSA-N 1 1 318.486 3.590 20 30 DHEDMO C=C(Br)C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000380053327 1034345387 /nfs/dbraw/zinc/34/53/87/1034345387.db2.gz KIBQAJSEXLFKKA-UHFFFAOYSA-N 1 1 300.143 3.765 20 30 DHEDMO Cc1csc([C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C2CC2)n1 ZINC000183552591 1034400348 /nfs/dbraw/zinc/40/03/48/1034400348.db2.gz HDAWLMNYGJBFBY-OAHLLOKOSA-N 1 1 301.390 3.703 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)c1 ZINC000554946222 1034427766 /nfs/dbraw/zinc/42/77/66/1034427766.db2.gz QDFAABMQCSBUAG-FQEVSTJZSA-N 1 1 304.393 3.528 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3coc(C#N)c3)cc2)C1 ZINC000864907836 1034470764 /nfs/dbraw/zinc/47/07/64/1034470764.db2.gz VQTYZPCQKHJYRV-CQSZACIVSA-N 1 1 323.396 3.635 20 30 DHEDMO C=CCSc1ccccc1NC(=O)Cn1cc(C)[nH+]c1CC ZINC000865393568 1034626181 /nfs/dbraw/zinc/62/61/81/1034626181.db2.gz YCCXRSPBWHJQBW-UHFFFAOYSA-N 1 1 315.442 3.671 20 30 DHEDMO Clc1ccc(C#CC[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC001174924597 1034687836 /nfs/dbraw/zinc/68/78/36/1034687836.db2.gz KHDGAIHJORLGKU-KDURUIRLSA-N 1 1 315.844 3.584 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000481271896 1034707042 /nfs/dbraw/zinc/70/70/42/1034707042.db2.gz UIVMJHRAHNHVKZ-IBGZPJMESA-N 1 1 300.446 3.542 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc(F)c(F)c3F)sc2C1 ZINC001174969998 1034718551 /nfs/dbraw/zinc/71/85/51/1034718551.db2.gz SVFJOLLZDZODKU-UHFFFAOYSA-N 1 1 323.343 3.769 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000481292249 1034730462 /nfs/dbraw/zinc/73/04/62/1034730462.db2.gz ZDEWIANTIHAEKZ-IBGZPJMESA-N 1 1 324.424 3.883 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000481292249 1034730474 /nfs/dbraw/zinc/73/04/74/1034730474.db2.gz ZDEWIANTIHAEKZ-IBGZPJMESA-N 1 1 324.424 3.883 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000188469471 1034744312 /nfs/dbraw/zinc/74/43/12/1034744312.db2.gz LKXZJBBNXXJPDV-AZUAARDMSA-N 1 1 314.473 3.569 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000188469545 1034745101 /nfs/dbraw/zinc/74/51/01/1034745101.db2.gz LKXZJBBNXXJPDV-QUCCMNQESA-N 1 1 314.473 3.569 20 30 DHEDMO C=CCOc1c(Cl)cc(C[NH2+]CC(C)(C)C#N)cc1OC ZINC000600145440 1034768129 /nfs/dbraw/zinc/76/81/29/1034768129.db2.gz QGZCEJSPWNBFBC-UHFFFAOYSA-N 1 1 308.809 3.553 20 30 DHEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000600195417 1034802911 /nfs/dbraw/zinc/80/29/11/1034802911.db2.gz IRRPUAXEIXPXLF-HUUCEWRRSA-N 1 1 308.466 3.616 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cccc3cc[nH]c31)C2 ZINC000600212937 1034806048 /nfs/dbraw/zinc/80/60/48/1034806048.db2.gz LPRMFGBTJGHXRG-UHFFFAOYSA-N 1 1 301.393 3.792 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+](C/C=C\c1ccc(F)cc1)C2 ZINC000600212377 1034806885 /nfs/dbraw/zinc/80/68/85/1034806885.db2.gz CLEFGQPXUADMNL-IHWYPQMZSA-N 1 1 306.384 3.963 20 30 DHEDMO C#CCCCCCC[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001175196118 1034845621 /nfs/dbraw/zinc/84/56/21/1034845621.db2.gz WAGKRMIGDUXFIY-HZPDHXFCSA-N 1 1 308.466 3.558 20 30 DHEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CCC(C)(C)C#N)c1 ZINC000157450162 1034897047 /nfs/dbraw/zinc/89/70/47/1034897047.db2.gz KDTSRZCCFIZDSO-MRXNPFEDSA-N 1 1 302.418 3.781 20 30 DHEDMO COc1cc(C#N)ccc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175505884 1035015784 /nfs/dbraw/zinc/01/57/84/1035015784.db2.gz JNDLBVYCJKUORH-UHFFFAOYSA-N 1 1 319.408 3.769 20 30 DHEDMO N#Cc1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c(F)c1 ZINC001175505510 1035017720 /nfs/dbraw/zinc/01/77/20/1035017720.db2.gz GBLWNUGDWUTEQG-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO C=CC[N@@H+](Cc1sc(C)nc1C)Cc1ccc(OC)cc1 ZINC000159464683 1035058715 /nfs/dbraw/zinc/05/87/15/1035058715.db2.gz ILRPSNRFJODFGY-UHFFFAOYSA-N 1 1 302.443 3.957 20 30 DHEDMO C=CC[N@H+](Cc1sc(C)nc1C)Cc1ccc(OC)cc1 ZINC000159464683 1035058710 /nfs/dbraw/zinc/05/87/10/1035058710.db2.gz ILRPSNRFJODFGY-UHFFFAOYSA-N 1 1 302.443 3.957 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc4ccncc4c3)sc2C1 ZINC001175701046 1035073239 /nfs/dbraw/zinc/07/32/39/1035073239.db2.gz GJQJTNUNEUTVAH-UHFFFAOYSA-N 1 1 320.421 3.899 20 30 DHEDMO CC(C)[N@@H+](CCc1nccs1)Cc1cc(F)ccc1C#N ZINC000159769632 1035089701 /nfs/dbraw/zinc/08/97/01/1035089701.db2.gz YTYJKBQSJVPTET-UHFFFAOYSA-N 1 1 303.406 3.607 20 30 DHEDMO CCCO[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000160111564 1035138197 /nfs/dbraw/zinc/13/81/97/1035138197.db2.gz OZPRFMSKHAXNTQ-GOSISDBHSA-N 1 1 305.849 3.973 20 30 DHEDMO Cc1ccc(C)c(Nc2cccc(C[NH+]3CCOCC3)c2)c1C#N ZINC001175863664 1035147443 /nfs/dbraw/zinc/14/74/43/1035147443.db2.gz NJPPTGZDZVBGAO-UHFFFAOYSA-N 1 1 321.424 3.751 20 30 DHEDMO CC(C)c1ccc(C[N@@H+](C)Cc2cnc3ccc(C#N)cn23)cc1 ZINC000160667619 1035219318 /nfs/dbraw/zinc/21/93/18/1035219318.db2.gz LDTKDOJGYJABOI-UHFFFAOYSA-N 1 1 318.424 3.961 20 30 DHEDMO C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc(C#N)cc1 ZINC000160735754 1035225970 /nfs/dbraw/zinc/22/59/70/1035225970.db2.gz SXLZXCIMPUKYMV-CYBMUJFWSA-N 1 1 320.421 3.928 20 30 DHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483255658 1035248233 /nfs/dbraw/zinc/24/82/33/1035248233.db2.gz BLRXRBWFXHLUPL-HOCLYGCPSA-N 1 1 313.445 3.643 20 30 DHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483270842 1035249198 /nfs/dbraw/zinc/24/91/98/1035249198.db2.gz NTNUDKVRPCTJQD-DLBZAZTESA-N 1 1 314.429 3.530 20 30 DHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483270842 1035249202 /nfs/dbraw/zinc/24/92/02/1035249202.db2.gz NTNUDKVRPCTJQD-DLBZAZTESA-N 1 1 314.429 3.530 20 30 DHEDMO CC[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CC[C@@H]1c1ccccc1 ZINC000483275357 1035250439 /nfs/dbraw/zinc/25/04/39/1035250439.db2.gz YENOMLUOKPTEGU-XLIONFOSSA-N 1 1 307.441 3.912 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)Cc2ccc(F)c(C#N)c2)cc1 ZINC000160976456 1035278559 /nfs/dbraw/zinc/27/85/59/1035278559.db2.gz PEPDAYNIJOIZOS-UHFFFAOYSA-N 1 1 312.388 3.771 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CCC[C@H]2COc2ccc(F)cc2)cc1 ZINC001176533412 1035287135 /nfs/dbraw/zinc/28/71/35/1035287135.db2.gz QMRHXESIFAQRND-IBGZPJMESA-N 1 1 324.399 3.935 20 30 DHEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000484080348 1035317191 /nfs/dbraw/zinc/31/71/91/1035317191.db2.gz CSSGPIYFDPMYHM-YJYMSZOUSA-N 1 1 310.372 3.521 20 30 DHEDMO C=CCCC[N@H+](CC)CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC001176798202 1035328266 /nfs/dbraw/zinc/32/82/66/1035328266.db2.gz MOHUHFMPLHOVFT-UHFFFAOYSA-N 1 1 324.852 3.965 20 30 DHEDMO COc1cc([C@H](C)[NH2+]Cc2ccncc2C#N)cc2ccccc21 ZINC001176793143 1035328355 /nfs/dbraw/zinc/32/83/55/1035328355.db2.gz OHRYALDMLJPFDJ-AWEZNQCLSA-N 1 1 317.392 3.966 20 30 DHEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cc(C)ccc1Cl ZINC001176771940 1035329981 /nfs/dbraw/zinc/32/99/81/1035329981.db2.gz YRNAEMYYFJJAKA-CVEARBPZSA-N 1 1 323.864 3.819 20 30 DHEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC001176771344 1035330336 /nfs/dbraw/zinc/33/03/36/1035330336.db2.gz JZPFJQBIQIQSDL-CYBMUJFWSA-N 1 1 310.800 3.848 20 30 DHEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001176771269 1035330679 /nfs/dbraw/zinc/33/06/79/1035330679.db2.gz JKAYQZUGFGZJDK-HZPDHXFCSA-N 1 1 308.466 3.674 20 30 DHEDMO C=CCCCC[N@@H+]1CC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001176816051 1035331280 /nfs/dbraw/zinc/33/12/80/1035331280.db2.gz ZTFGBWOIVLVAMT-YJBOKZPZSA-N 1 1 308.466 3.722 20 30 DHEDMO C#C[C@H]1CCCC[N@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC001176833226 1035332194 /nfs/dbraw/zinc/33/21/94/1035332194.db2.gz TVVGMOOPTWIUON-IBGZPJMESA-N 1 1 306.409 3.648 20 30 DHEDMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC001176798546 1035333293 /nfs/dbraw/zinc/33/32/93/1035333293.db2.gz SIRSPDFTCOZAGY-HNNXBMFYSA-N 1 1 304.434 3.700 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CNCc1ccc(Cl)cn1)C(C)C ZINC001177226954 1035358796 /nfs/dbraw/zinc/35/87/96/1035358796.db2.gz ZXVVDYVZIXBFNC-KRWDZBQOSA-N 1 1 307.869 3.523 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1ccccc1F)CC1CCCCC1 ZINC000484540889 1035359121 /nfs/dbraw/zinc/35/91/21/1035359121.db2.gz IEXOJZSNRCVIHS-UHFFFAOYSA-N 1 1 304.409 3.833 20 30 DHEDMO C=CC[N@H+](Cc1nc(-c2ccoc2)no1)CC1CCCCC1 ZINC000484688238 1035388131 /nfs/dbraw/zinc/38/81/31/1035388131.db2.gz ILROZUYGKGOWDC-UHFFFAOYSA-N 1 1 301.390 3.898 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(CSCc2ccccc2)no1 ZINC000904624359 1035432819 /nfs/dbraw/zinc/43/28/19/1035432819.db2.gz UXWCLKIYRCJFIC-CQSZACIVSA-N 1 1 303.431 3.859 20 30 DHEDMO CC(C)(C#N)c1ccc(CNCC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC001178581172 1035435749 /nfs/dbraw/zinc/43/57/49/1035435749.db2.gz DYRPXGNZZHEUIQ-UHFFFAOYSA-N 1 1 313.489 3.699 20 30 DHEDMO CC(C)(C#N)c1ccc(CNCC[N@H+]2CCCC(C)(C)C2)cc1 ZINC001178581172 1035435750 /nfs/dbraw/zinc/43/57/50/1035435750.db2.gz DYRPXGNZZHEUIQ-UHFFFAOYSA-N 1 1 313.489 3.699 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc(Br)o1 ZINC000189504732 1035543354 /nfs/dbraw/zinc/54/33/54/1035543354.db2.gz RMQUVGMENWMCRQ-UHFFFAOYSA-N 1 1 322.202 3.897 20 30 DHEDMO C#CC[N@H+](Cc1ccc(N(C)CC)nc1)[C@H]1CCc2ccccc21 ZINC001180296841 1035645979 /nfs/dbraw/zinc/64/59/79/1035645979.db2.gz MXBHNXBMWDIYBU-FQEVSTJZSA-N 1 1 319.452 3.660 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000190949528 1035646775 /nfs/dbraw/zinc/64/67/75/1035646775.db2.gz FWRSBJOLUUJZEN-LJQANCHMSA-N 1 1 306.494 3.703 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000668493239 1035666729 /nfs/dbraw/zinc/66/67/29/1035666729.db2.gz LGPOLKDWTUQBGB-APWZRJJASA-N 1 1 301.430 3.642 20 30 DHEDMO C[N@@H+](Cc1cc(C#N)ccc1Br)C(C1CC1)C1CC1 ZINC000191779297 1035732515 /nfs/dbraw/zinc/73/25/15/1035732515.db2.gz UKCFCRYBIFMKPP-UHFFFAOYSA-N 1 1 319.246 3.941 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@@H]1CCc3cc(F)ccc3C1)C2 ZINC001168429951 1035739037 /nfs/dbraw/zinc/73/90/37/1035739037.db2.gz XFJPSCAKHJNEQV-HXUWFJFHSA-N 1 1 306.384 3.613 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)[C@H](C)C2CCCCC2)cc1 ZINC001193817299 1035742465 /nfs/dbraw/zinc/74/24/65/1035742465.db2.gz BHANSTDVUWBHFG-MRXNPFEDSA-N 1 1 312.457 3.897 20 30 DHEDMO O=C(C[C@H]1CCC[N@@H+]1CC#Cc1ccccc1)c1cccs1 ZINC000192114908 1035764945 /nfs/dbraw/zinc/76/49/45/1035764945.db2.gz KJDQMABNRUYRNT-QGZVFWFLSA-N 1 1 309.434 3.837 20 30 DHEDMO O=C(C[C@H]1CCC[N@H+]1CC#Cc1ccccc1)c1cccs1 ZINC000192114908 1035764951 /nfs/dbraw/zinc/76/49/51/1035764951.db2.gz KJDQMABNRUYRNT-QGZVFWFLSA-N 1 1 309.434 3.837 20 30 DHEDMO C=CC[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000494685594 1035770478 /nfs/dbraw/zinc/77/04/78/1035770478.db2.gz NTLWSFKQVRLIFV-SFHVURJKSA-N 1 1 314.473 3.765 20 30 DHEDMO C=CC[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000494685594 1035770488 /nfs/dbraw/zinc/77/04/88/1035770488.db2.gz NTLWSFKQVRLIFV-SFHVURJKSA-N 1 1 314.473 3.765 20 30 DHEDMO C=CC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000494706322 1035772883 /nfs/dbraw/zinc/77/28/83/1035772883.db2.gz DTUTXPGNKXJTEH-GHMZBOCLSA-N 1 1 315.244 3.677 20 30 DHEDMO CCCCCCC[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001181120423 1035841343 /nfs/dbraw/zinc/84/13/43/1035841343.db2.gz APXFNDHJSBDIRD-QGZVFWFLSA-N 1 1 320.521 3.927 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001194152607 1035848754 /nfs/dbraw/zinc/84/87/54/1035848754.db2.gz FCFGIGFVKTZYPC-CDHQVMDDSA-N 1 1 306.409 3.675 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001194270528 1035895633 /nfs/dbraw/zinc/89/56/33/1035895633.db2.gz YOIDNMPTZKNPNH-GBESFXJTSA-N 1 1 317.477 3.800 20 30 DHEDMO C=CCCC[N@H+](C)Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000539836833 1035899344 /nfs/dbraw/zinc/89/93/44/1035899344.db2.gz IPGTUAGRCCWFFN-UHFFFAOYSA-N 1 1 317.385 3.626 20 30 DHEDMO CCC1CCC([N@@H+](CCO)Cc2ccc(C#N)c(C)c2)CC1 ZINC001181417822 1035906160 /nfs/dbraw/zinc/90/61/60/1035906160.db2.gz GAHKGOIDQULLBK-UHFFFAOYSA-N 1 1 300.446 3.630 20 30 DHEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000149132922 1035915731 /nfs/dbraw/zinc/91/57/31/1035915731.db2.gz XAKHSBDMNYYOQU-CLNPQZTCSA-N 1 1 317.436 3.582 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC001194754418 1036001594 /nfs/dbraw/zinc/00/15/94/1036001594.db2.gz CZILNRMOMZMVBT-MRXNPFEDSA-N 1 1 323.415 3.717 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@H]1CC2CCC1CC2 ZINC001194790961 1036017861 /nfs/dbraw/zinc/01/78/61/1036017861.db2.gz ARGNRZKUQBTWMU-RRWXTXHCSA-N 1 1 312.457 3.833 20 30 DHEDMO CCCCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC001181860343 1036019853 /nfs/dbraw/zinc/01/98/53/1036019853.db2.gz ZFRMOBHXOQDIDD-UHFFFAOYSA-N 1 1 319.474 3.559 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)CC2=CCCOC2)cc1Cl ZINC000668569483 1036060952 /nfs/dbraw/zinc/06/09/52/1036060952.db2.gz ZPARRMBPDBIEEA-UHFFFAOYSA-N 1 1 307.821 3.683 20 30 DHEDMO C[C@@H](C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000761757753 1036092458 /nfs/dbraw/zinc/09/24/58/1036092458.db2.gz NSKIBAIJWJQYNR-JXFKEZNVSA-N 1 1 306.409 3.735 20 30 DHEDMO CC1([N@@H+](Cc2ccc3c(c2)OCO3)CC2(C#N)CC2)CCCC1 ZINC000540550705 1036101139 /nfs/dbraw/zinc/10/11/39/1036101139.db2.gz GKRLDCPROGIGJB-UHFFFAOYSA-N 1 1 312.413 3.854 20 30 DHEDMO C[C@H](NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000540597258 1036108302 /nfs/dbraw/zinc/10/83/02/1036108302.db2.gz MVLZOESPVDLJJN-BBWFWOEESA-N 1 1 313.489 3.965 20 30 DHEDMO C[C@H]([NH2+]CC(C)(C)N1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000540597258 1036108308 /nfs/dbraw/zinc/10/83/08/1036108308.db2.gz MVLZOESPVDLJJN-BBWFWOEESA-N 1 1 313.489 3.965 20 30 DHEDMO C#CCCCCCCCCC(=O)N1CC[C@@H]([N@H+](C)C(C)C)C1 ZINC001182186555 1036121881 /nfs/dbraw/zinc/12/18/81/1036121881.db2.gz OPHJOOLTBMZICM-GOSISDBHSA-N 1 1 306.494 3.682 20 30 DHEDMO C[C@H](N[C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000540708421 1036135836 /nfs/dbraw/zinc/13/58/36/1036135836.db2.gz SBFCCCXBBVVVJZ-SUMWQHHRSA-N 1 1 305.441 3.714 20 30 DHEDMO C[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000540708421 1036135840 /nfs/dbraw/zinc/13/58/40/1036135840.db2.gz SBFCCCXBBVVVJZ-SUMWQHHRSA-N 1 1 305.441 3.714 20 30 DHEDMO CCCC[N@@H+](CC)[C@@H](C(=O)NCCCCC#N)c1ccccc1 ZINC001182237055 1036138306 /nfs/dbraw/zinc/13/83/06/1036138306.db2.gz VNTFEWWPRJYJFZ-GOSISDBHSA-N 1 1 315.461 3.660 20 30 DHEDMO CCCC[N@@H+](CC)[C@@H](C(=O)N[C@H](CC)CC#N)c1ccccc1 ZINC001182234295 1036139761 /nfs/dbraw/zinc/13/97/61/1036139761.db2.gz CWCJKECZWHUMDT-QZTJIDSGSA-N 1 1 315.461 3.658 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@H](CCF)C2)cc(OC)c1O ZINC000668592320 1036146768 /nfs/dbraw/zinc/14/67/68/1036146768.db2.gz JQMRAEIQZSDRRH-CQSZACIVSA-N 1 1 307.409 3.701 20 30 DHEDMO COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC001195366651 1036231574 /nfs/dbraw/zinc/23/15/74/1036231574.db2.gz BYPBEYCIQOTTSZ-ZTFGCOKTSA-N 1 1 314.429 3.530 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001195367320 1036232713 /nfs/dbraw/zinc/23/27/13/1036232713.db2.gz IERHRTVOVUIWIO-LBPRGKRZSA-N 1 1 313.332 3.799 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)Cc2ccc(C#N)c(C)c2)cc1 ZINC000486695797 1036360534 /nfs/dbraw/zinc/36/05/34/1036360534.db2.gz HMKVRCOCTJXBGP-UHFFFAOYSA-N 1 1 308.425 3.940 20 30 DHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cc(O)c(O)c(OC)c1 ZINC001204345424 1036383815 /nfs/dbraw/zinc/38/38/15/1036383815.db2.gz RVRDPFHASUFJLO-UHFFFAOYSA-N 1 1 313.397 3.685 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](Cc2nonc2C)C(C)(C)C)cc1 ZINC000761916474 1036404573 /nfs/dbraw/zinc/40/45/73/1036404573.db2.gz YTYJJPXZRCSKCW-UHFFFAOYSA-N 1 1 315.417 3.744 20 30 DHEDMO C=CCOc1ccc(C[N@H+](Cc2nonc2C)C(C)(C)C)cc1 ZINC000761916474 1036404583 /nfs/dbraw/zinc/40/45/83/1036404583.db2.gz YTYJJPXZRCSKCW-UHFFFAOYSA-N 1 1 315.417 3.744 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC001182604589 1036407237 /nfs/dbraw/zinc/40/72/37/1036407237.db2.gz IOOLTDYVGIMGFP-CQSZACIVSA-N 1 1 312.438 3.664 20 30 DHEDMO CCCCC[C@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000486794662 1036410899 /nfs/dbraw/zinc/41/08/99/1036410899.db2.gz DVKUZDNMVCIZTP-HNNXBMFYSA-N 1 1 319.474 3.993 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)CCCNC(=O)OC(C)(C)C ZINC001196039745 1036427816 /nfs/dbraw/zinc/42/78/16/1036427816.db2.gz QIJJXFTUYXXSKJ-UHFFFAOYSA-N 1 1 323.481 3.697 20 30 DHEDMO CC#CCCCCCCCC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001182770752 1036454592 /nfs/dbraw/zinc/45/45/92/1036454592.db2.gz XXWQHWNSQYWDEB-SFHVURJKSA-N 1 1 306.494 3.589 20 30 DHEDMO N#Cc1cccc(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)c1F ZINC000774551003 1036464552 /nfs/dbraw/zinc/46/45/52/1036464552.db2.gz MXJJAUKKTOFEGU-HXUWFJFHSA-N 1 1 324.399 3.643 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1CO ZINC001196358134 1036512064 /nfs/dbraw/zinc/51/20/64/1036512064.db2.gz RYDDQLBXDTVMLA-OXJNMPFZSA-N 1 1 320.436 3.676 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC001183065103 1036517677 /nfs/dbraw/zinc/51/76/77/1036517677.db2.gz GAKIXSDBPVZESB-CYBMUJFWSA-N 1 1 317.383 3.763 20 30 DHEDMO C=CCSc1ccccc1C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000487143224 1036543408 /nfs/dbraw/zinc/54/34/08/1036543408.db2.gz VZYOJTBDXWGAQH-OAHLLOKOSA-N 1 1 318.486 3.567 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC001196506791 1036552272 /nfs/dbraw/zinc/55/22/72/1036552272.db2.gz UAOVANXHWKXMHN-OXQOHEQNSA-N 1 1 305.425 3.830 20 30 DHEDMO Cc1cccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1O ZINC000775735821 1036589964 /nfs/dbraw/zinc/58/99/64/1036589964.db2.gz ZCIXVEUWWFQYOT-OALUTQOASA-N 1 1 306.409 3.972 20 30 DHEDMO Cc1cccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1O ZINC000775735820 1036591577 /nfs/dbraw/zinc/59/15/77/1036591577.db2.gz ZCIXVEUWWFQYOT-MOPGFXCFSA-N 1 1 306.409 3.972 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1ccc(Cl)cc1 ZINC000491657555 1036618617 /nfs/dbraw/zinc/61/86/17/1036618617.db2.gz GLSZKRWBCSBTJT-INIZCTEOSA-N 1 1 309.800 3.691 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000491671520 1036620713 /nfs/dbraw/zinc/62/07/13/1036620713.db2.gz XBFAILJBDVWVPR-UHFFFAOYSA-N 1 1 321.346 3.557 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000491671520 1036620721 /nfs/dbraw/zinc/62/07/21/1036620721.db2.gz XBFAILJBDVWVPR-UHFFFAOYSA-N 1 1 321.346 3.557 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@](COC)(C(=O)OC(C)(C)C)C1 ZINC001196820148 1036628077 /nfs/dbraw/zinc/62/80/77/1036628077.db2.gz ZPSDPGCAMCKIPF-SFHVURJKSA-N 1 1 313.482 3.637 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1C)c1ccc(F)cc1 ZINC000491750918 1036637679 /nfs/dbraw/zinc/63/76/79/1036637679.db2.gz VXDFSNXKLAERHW-QGZVFWFLSA-N 1 1 313.372 3.615 20 30 DHEDMO C=CCCC[N@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001196934751 1036645446 /nfs/dbraw/zinc/64/54/46/1036645446.db2.gz CJTMTWHVYDTWRY-CQSZACIVSA-N 1 1 318.244 3.631 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(F)cc1 ZINC000491808766 1036647687 /nfs/dbraw/zinc/64/76/87/1036647687.db2.gz WBTDOMHRDQLPBE-HXUWFJFHSA-N 1 1 322.383 3.972 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)c1F ZINC000774663700 1036652765 /nfs/dbraw/zinc/65/27/65/1036652765.db2.gz OVVBRBKBGOBWHF-UYAOXDASSA-N 1 1 324.399 3.785 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCc3ccc(O)cc3CC2)c(Cl)c1 ZINC000615226108 1036700792 /nfs/dbraw/zinc/70/07/92/1036700792.db2.gz LZHGQHMDHDMSEO-UHFFFAOYSA-N 1 1 312.800 3.518 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c1=S ZINC000915210126 1036706687 /nfs/dbraw/zinc/70/66/87/1036706687.db2.gz UJDZLCUILFVECK-CWRNSKLLSA-N 1 1 320.506 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c1=S ZINC000915210126 1036706706 /nfs/dbraw/zinc/70/67/06/1036706706.db2.gz UJDZLCUILFVECK-CWRNSKLLSA-N 1 1 320.506 3.767 20 30 DHEDMO CCCCCCCC[C@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001273739208 1036710293 /nfs/dbraw/zinc/71/02/93/1036710293.db2.gz ZQUMIMCWERWPFE-FJIDUMEYSA-N 1 1 306.494 3.678 20 30 DHEDMO CCCCCCCC[C@H]1C[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](C)C2 ZINC001273739153 1036710723 /nfs/dbraw/zinc/71/07/23/1036710723.db2.gz YJLAVLODJOAMEM-IRXDYDNUSA-N 1 1 306.494 3.537 20 30 DHEDMO Cc1ccc(C)c(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000487866131 1036755338 /nfs/dbraw/zinc/75/53/38/1036755338.db2.gz BPUYULVYZPYHFR-INIZCTEOSA-N 1 1 321.424 3.807 20 30 DHEDMO Cc1ccc(C)c(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000487866131 1036755359 /nfs/dbraw/zinc/75/53/59/1036755359.db2.gz BPUYULVYZPYHFR-INIZCTEOSA-N 1 1 321.424 3.807 20 30 DHEDMO Cc1cc(F)ccc1C[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000487983940 1036804194 /nfs/dbraw/zinc/80/41/94/1036804194.db2.gz XPGUPAAXEOSZEQ-UHFFFAOYSA-N 1 1 307.372 3.891 20 30 DHEDMO Cc1cc(F)ccc1C[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000487983940 1036804214 /nfs/dbraw/zinc/80/42/14/1036804214.db2.gz XPGUPAAXEOSZEQ-UHFFFAOYSA-N 1 1 307.372 3.891 20 30 DHEDMO C=CC[N@H+](CCOC[C@@H]1CCCO1)Cc1ccc(Cl)s1 ZINC000152104800 1036877689 /nfs/dbraw/zinc/87/76/89/1036877689.db2.gz DRAHNUUZEKLMQN-ZDUSSCGKSA-N 1 1 315.866 3.585 20 30 DHEDMO C=CC[N@@H+](CCOC[C@@H]1CCCO1)Cc1ccc(Cl)s1 ZINC000152104800 1036877667 /nfs/dbraw/zinc/87/76/67/1036877667.db2.gz DRAHNUUZEKLMQN-ZDUSSCGKSA-N 1 1 315.866 3.585 20 30 DHEDMO C#CC[N@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C(C)(C)C ZINC001197937142 1036912069 /nfs/dbraw/zinc/91/20/69/1036912069.db2.gz IIRNENBVTMDLGR-UHFFFAOYSA-N 1 1 300.446 3.656 20 30 DHEDMO C#CC[N@@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)C(C)(C)C ZINC001197937142 1036912083 /nfs/dbraw/zinc/91/20/83/1036912083.db2.gz IIRNENBVTMDLGR-UHFFFAOYSA-N 1 1 300.446 3.656 20 30 DHEDMO C#CC[N@H+](CCCCn1ccnc1C)[C@H]1CCCc2ccccc21 ZINC001198104913 1036953751 /nfs/dbraw/zinc/95/37/51/1036953751.db2.gz VLZOUVPQRKTORJ-NRFANRHFSA-N 1 1 321.468 3.985 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)ccc1C#N ZINC000488306463 1036963518 /nfs/dbraw/zinc/96/35/18/1036963518.db2.gz HGXCZJUBIBCOBB-IBGZPJMESA-N 1 1 316.408 3.663 20 30 DHEDMO Cc1cc(CNCC[C@H](C)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000443996862 1037004536 /nfs/dbraw/zinc/00/45/36/1037004536.db2.gz KOEOCEWAXXJRCM-SFHVURJKSA-N 1 1 321.468 3.867 20 30 DHEDMO Cc1cc(C[NH2+]CC[C@H](C)N(C)Cc2ccccc2)ccc1C#N ZINC000443996862 1037004593 /nfs/dbraw/zinc/00/45/93/1037004593.db2.gz KOEOCEWAXXJRCM-SFHVURJKSA-N 1 1 321.468 3.867 20 30 DHEDMO Cc1cc(F)c(C#N)c(N(C)CC[N@@H+](C)C2CCCCC2)c1 ZINC001185046906 1037020493 /nfs/dbraw/zinc/02/04/93/1037020493.db2.gz WZINDOOOYUUASS-UHFFFAOYSA-N 1 1 303.425 3.707 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CC[C@@H](C)c2ccccc2)c1 ZINC000774846125 1037076728 /nfs/dbraw/zinc/07/67/28/1037076728.db2.gz MZAFMEBKUKDUGK-QGZVFWFLSA-N 1 1 320.436 3.732 20 30 DHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCCC12CCCCCC2 ZINC001198743295 1037114430 /nfs/dbraw/zinc/11/44/30/1037114430.db2.gz ULCOMYNFABYMOW-KRWDZBQOSA-N 1 1 319.493 3.573 20 30 DHEDMO C=C(C)C[N@H+]1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001198838431 1037153411 /nfs/dbraw/zinc/15/34/11/1037153411.db2.gz YLSRGVUOWJJDMU-YJBOKZPZSA-N 1 1 308.466 3.579 20 30 DHEDMO N#CC1(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)CC1 ZINC000775973209 1037265914 /nfs/dbraw/zinc/26/59/14/1037265914.db2.gz ATWVBASFPRRKDI-KRWDZBQOSA-N 1 1 312.438 3.587 20 30 DHEDMO N#CC1(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccsc2)CC1 ZINC000775973209 1037265933 /nfs/dbraw/zinc/26/59/33/1037265933.db2.gz ATWVBASFPRRKDI-KRWDZBQOSA-N 1 1 312.438 3.587 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000489486098 1037459851 /nfs/dbraw/zinc/45/98/51/1037459851.db2.gz IIPQACAUVNVUCN-CQSZACIVSA-N 1 1 305.219 3.861 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000489486098 1037459859 /nfs/dbraw/zinc/45/98/59/1037459859.db2.gz IIPQACAUVNVUCN-CQSZACIVSA-N 1 1 305.219 3.861 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000489501191 1037460318 /nfs/dbraw/zinc/46/03/18/1037460318.db2.gz UBXNVDRWDIUODI-OAHLLOKOSA-N 1 1 317.820 3.973 20 30 DHEDMO C#Cc1ccc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC001200942138 1037482378 /nfs/dbraw/zinc/48/23/78/1037482378.db2.gz NMDGYJHPMBXKFA-GOSISDBHSA-N 1 1 306.453 3.668 20 30 DHEDMO C#Cc1ccc(CNCC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC001200942138 1037482390 /nfs/dbraw/zinc/48/23/90/1037482390.db2.gz NMDGYJHPMBXKFA-GOSISDBHSA-N 1 1 306.453 3.668 20 30 DHEDMO C#Cc1ccc(CNCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC001200942138 1037482414 /nfs/dbraw/zinc/48/24/14/1037482414.db2.gz NMDGYJHPMBXKFA-GOSISDBHSA-N 1 1 306.453 3.668 20 30 DHEDMO C#Cc1ccc(C[NH2+]CC[C@@H](C)N(C)Cc2ccccc2)cc1 ZINC001200942138 1037482423 /nfs/dbraw/zinc/48/24/23/1037482423.db2.gz NMDGYJHPMBXKFA-GOSISDBHSA-N 1 1 306.453 3.668 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H](C3CC3)C2)c1O ZINC000763334353 1037590890 /nfs/dbraw/zinc/59/08/90/1037590890.db2.gz WDSMBYIEWPNDSN-INIZCTEOSA-N 1 1 301.430 3.751 20 30 DHEDMO C[C@H](NC[C@H](C)[N@@H+]1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000776153524 1037599826 /nfs/dbraw/zinc/59/98/26/1037599826.db2.gz DCGUSASDZVMEHT-IKGGRYGDSA-N 1 1 315.461 3.502 20 30 DHEDMO C[C@H](NC[C@H](C)[N@H+]1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000776153524 1037599839 /nfs/dbraw/zinc/59/98/39/1037599839.db2.gz DCGUSASDZVMEHT-IKGGRYGDSA-N 1 1 315.461 3.502 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000493980954 1037617551 /nfs/dbraw/zinc/61/75/51/1037617551.db2.gz HUGNMMUWYWMWKI-HUUCEWRRSA-N 1 1 323.481 3.551 20 30 DHEDMO Cc1nsc(NC[C@H]2CC[N@H+]2C2CCCCCC2)c1C#N ZINC001187360765 1037620359 /nfs/dbraw/zinc/62/03/59/1037620359.db2.gz ATOBGDVKLWUNBW-CQSZACIVSA-N 1 1 304.463 3.532 20 30 DHEDMO C[C@@H](NCC[N@@H+](C)C1CCCCC1)c1ccc(OCC#N)cc1 ZINC000776160623 1037641888 /nfs/dbraw/zinc/64/18/88/1037641888.db2.gz PQJINCRCGFBFJT-MRXNPFEDSA-N 1 1 315.461 3.504 20 30 DHEDMO C[C@@H]([NH2+]CCN(C)C1CCCCC1)c1ccc(OCC#N)cc1 ZINC000776160623 1037641897 /nfs/dbraw/zinc/64/18/97/1037641897.db2.gz PQJINCRCGFBFJT-MRXNPFEDSA-N 1 1 315.461 3.504 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H]1CC=CCC1)[C@H]2CC ZINC001201411943 1037653605 /nfs/dbraw/zinc/65/36/05/1037653605.db2.gz UFLAHDSTXXHIQN-HBFSDRIKSA-N 1 1 316.489 3.764 20 30 DHEDMO N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC001201474422 1037736642 /nfs/dbraw/zinc/73/66/42/1037736642.db2.gz FZONPPVPSZCDOE-UXHICEINSA-N 1 1 316.408 3.686 20 30 DHEDMO C=CCOC(=O)N1CCC2(CCC[N@H+](C[C@@H](C)CCC)C2)CC1 ZINC001201538341 1037742410 /nfs/dbraw/zinc/74/24/10/1037742410.db2.gz FQOWNBBKNQQBHZ-KRWDZBQOSA-N 1 1 322.493 3.923 20 30 DHEDMO C=CCOC(=O)N1CCC2(CCC[N@H+](CC(CC)CC)C2)CC1 ZINC001201521550 1037763041 /nfs/dbraw/zinc/76/30/41/1037763041.db2.gz UNIPDQNQRWTVEX-UHFFFAOYSA-N 1 1 322.493 3.923 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000185030801 1037774176 /nfs/dbraw/zinc/77/41/76/1037774176.db2.gz XEWYUMCELZLJFN-BBRMVZONSA-N 1 1 308.853 3.661 20 30 DHEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763413690 1037831787 /nfs/dbraw/zinc/83/17/87/1037831787.db2.gz MTEWBRFYHHAPBX-NHCUHLMSSA-N 1 1 322.452 3.935 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000185728474 1037835499 /nfs/dbraw/zinc/83/54/99/1037835499.db2.gz OVIGNLJUPBLVOD-ZWKOTPCHSA-N 1 1 314.473 3.712 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000185958325 1037854943 /nfs/dbraw/zinc/85/49/43/1037854943.db2.gz WSAUHJGIKCMMAS-RRQGHBQHSA-N 1 1 320.864 3.804 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000185958325 1037854967 /nfs/dbraw/zinc/85/49/67/1037854967.db2.gz WSAUHJGIKCMMAS-RRQGHBQHSA-N 1 1 320.864 3.804 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C1 ZINC001201761420 1037884903 /nfs/dbraw/zinc/88/49/03/1037884903.db2.gz DPKZMHIEZQMAOO-HUUCEWRRSA-N 1 1 316.461 3.894 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@H]2C[C@H](c3nc(C)no3)O[C@@H]2C1 ZINC001201815162 1037900706 /nfs/dbraw/zinc/90/07/06/1037900706.db2.gz YDIUFSUTTOIOQD-GVDBMIGSSA-N 1 1 321.465 3.890 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001201787522 1037903315 /nfs/dbraw/zinc/90/33/15/1037903315.db2.gz DPKZMHIEZQMAOO-LSDHHAIUSA-N 1 1 316.461 3.894 20 30 DHEDMO CCCCCCCCCCS(=O)(=O)Nc1cc[nH+]cc1C ZINC001201830305 1037910788 /nfs/dbraw/zinc/91/07/88/1037910788.db2.gz ISBLTCXNHSNJMY-UHFFFAOYSA-N 1 1 312.479 3.694 20 30 DHEDMO C[N@H+]1CCCC[C@H]1CCSc1nc2c(cc1C#N)CCCC2 ZINC001188565366 1037921245 /nfs/dbraw/zinc/92/12/45/1037921245.db2.gz OEQUDUWBXBKIGM-INIZCTEOSA-N 1 1 315.486 3.799 20 30 DHEDMO CCCCCCCCCCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001201875061 1037924451 /nfs/dbraw/zinc/92/44/51/1037924451.db2.gz OLGJPVJYEYOFET-IBGZPJMESA-N 1 1 310.526 3.924 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000494232737 1037997540 /nfs/dbraw/zinc/99/75/40/1037997540.db2.gz CIXPNKNVJGKBEL-WBWKYDSYSA-N 1 1 312.457 3.611 20 30 DHEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2csc(CC)n2)cc1 ZINC000156424600 1038088199 /nfs/dbraw/zinc/08/81/99/1038088199.db2.gz YEPKWCHMAKZSDR-ZDUSSCGKSA-N 1 1 300.427 3.568 20 30 DHEDMO Cc1ccc(C(C)(C)C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000156534042 1038128380 /nfs/dbraw/zinc/12/83/80/1038128380.db2.gz BHERSAMDXZGEOE-FQEVSTJZSA-N 1 1 322.452 3.810 20 30 DHEDMO C=CCc1cc(C[N@@H+](CC)Cc2ccccn2)c(O)c(OC)c1 ZINC000164472009 1038203063 /nfs/dbraw/zinc/20/30/63/1038203063.db2.gz SHCPIILYAVTCGK-UHFFFAOYSA-N 1 1 312.413 3.546 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000917117794 1038217924 /nfs/dbraw/zinc/21/79/24/1038217924.db2.gz PTVLLFDVCCFSLI-LJQANCHMSA-N 1 1 306.365 3.718 20 30 DHEDMO C#CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000917117794 1038217940 /nfs/dbraw/zinc/21/79/40/1038217940.db2.gz PTVLLFDVCCFSLI-LJQANCHMSA-N 1 1 306.365 3.718 20 30 DHEDMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC000571780028 1038251179 /nfs/dbraw/zinc/25/11/79/1038251179.db2.gz FNZSPUYJAUYUFF-VNHYZAJKSA-N 1 1 321.827 3.682 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(-c2cccc(F)c2C)o1)[C@H]1CCCO1 ZINC000775343909 1038254324 /nfs/dbraw/zinc/25/43/24/1038254324.db2.gz ZVFOGXGYBVVXRL-PKOBYXMFSA-N 1 1 313.372 3.665 20 30 DHEDMO CCC[C@@H](C(=O)OCC)[N@H+](CCC)Cc1ccc(C#N)cc1 ZINC001190349110 1038304168 /nfs/dbraw/zinc/30/41/68/1038304168.db2.gz SHJPXLYMLSHZDU-KRWDZBQOSA-N 1 1 302.418 3.502 20 30 DHEDMO CCC[C@@H](C(=O)OCC)[N@@H+](CCC)Cc1ccc(C#N)cc1 ZINC001190349110 1038304178 /nfs/dbraw/zinc/30/41/78/1038304178.db2.gz SHJPXLYMLSHZDU-KRWDZBQOSA-N 1 1 302.418 3.502 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC(C)(C)CO1 ZINC001190348629 1038304313 /nfs/dbraw/zinc/30/43/13/1038304313.db2.gz MRHCYPTZNXZPHK-GOSISDBHSA-N 1 1 300.446 3.975 20 30 DHEDMO C[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C1CCC(C(C)(C)C)CC1 ZINC001190590477 1038354654 /nfs/dbraw/zinc/35/46/54/1038354654.db2.gz ZTUYPBRQLYOFMZ-JCYILVPMSA-N 1 1 306.494 3.968 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](CC)c1cccc(OC)c1 ZINC000572319790 1038357995 /nfs/dbraw/zinc/35/79/95/1038357995.db2.gz FILBVCBRPZZUGI-GOSISDBHSA-N 1 1 318.461 3.503 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)C[C@H]1COC2(CCCCC2)O1 ZINC001190708116 1038365856 /nfs/dbraw/zinc/36/58/56/1038365856.db2.gz QLQRRJOBXWALRL-IBGZPJMESA-N 1 1 315.457 3.793 20 30 DHEDMO C#CC[N@H+](Cc1ccc(F)cc1)C[C@@]1(C)CC1(Cl)Cl ZINC001190708444 1038367362 /nfs/dbraw/zinc/36/73/62/1038367362.db2.gz SFZAJMSPFJXLHZ-CQSZACIVSA-N 1 1 300.204 3.845 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@]1(C)CC1(Cl)Cl ZINC001190708444 1038367377 /nfs/dbraw/zinc/36/73/77/1038367377.db2.gz SFZAJMSPFJXLHZ-CQSZACIVSA-N 1 1 300.204 3.845 20 30 DHEDMO C[C@H]([NH2+]Cc1cn(C)cn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000588927215 1038407595 /nfs/dbraw/zinc/40/75/95/1038407595.db2.gz VZFDDBMCXMIUBJ-HNNXBMFYSA-N 1 1 316.408 3.810 20 30 DHEDMO C[C@H](c1cccc(F)c1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000056284502 1038412769 /nfs/dbraw/zinc/41/27/69/1038412769.db2.gz DYZAPRDCJUDIMM-MRXNPFEDSA-N 1 1 323.415 3.971 20 30 DHEDMO CCCCCCCNC(=O)N1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC001191096945 1038437025 /nfs/dbraw/zinc/43/70/25/1038437025.db2.gz DOGOXUSARKONIV-GOSISDBHSA-N 1 1 317.477 3.655 20 30 DHEDMO CCCCCCCNC(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC001191096945 1038437029 /nfs/dbraw/zinc/43/70/29/1038437029.db2.gz DOGOXUSARKONIV-GOSISDBHSA-N 1 1 317.477 3.655 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000589280508 1038457788 /nfs/dbraw/zinc/45/77/88/1038457788.db2.gz GBKVDALYIKMGBB-FQEVSTJZSA-N 1 1 317.436 3.504 20 30 DHEDMO COc1cc(CNc2cc[nH+]c3ccc(Cl)cc23)ccc1C#N ZINC000589604252 1038516218 /nfs/dbraw/zinc/51/62/18/1038516218.db2.gz LMNUNVWJPCOPDU-UHFFFAOYSA-N 1 1 323.783 3.802 20 30 DHEDMO COc1ccc(F)c(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000590190792 1038602711 /nfs/dbraw/zinc/60/27/11/1038602711.db2.gz ZZXJDJZXKHTSJU-UHFFFAOYSA-N 1 1 304.752 3.649 20 30 DHEDMO CCCCCCC[C@H](C)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001192944319 1038718427 /nfs/dbraw/zinc/71/84/27/1038718427.db2.gz NIWIAEQHBPSJBS-IRXDYDNUSA-N 1 1 311.514 3.767 20 30 DHEDMO CCC[N@@H+](CCOc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000061001623 1038847639 /nfs/dbraw/zinc/84/76/39/1038847639.db2.gz VIFJEMMYAQZPLZ-UHFFFAOYSA-N 1 1 312.388 3.988 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccnc(Oc2ccc(F)cc2)c1 ZINC000591728867 1038971731 /nfs/dbraw/zinc/97/17/31/1038971731.db2.gz IGXBTSFPGBKIBT-OAHLLOKOSA-N 1 1 324.359 3.546 20 30 DHEDMO N#CC1(c2ccc(CNC[C@H]3CC[N@@H+]3C3CCCCC3)cc2)CC1 ZINC000598991726 1038986527 /nfs/dbraw/zinc/98/65/27/1038986527.db2.gz DEWLXXDPKVFLAW-HXUWFJFHSA-N 1 1 323.484 3.738 20 30 DHEDMO N#CC1(c2ccc(CNC[C@H]3CC[N@H+]3C3CCCCC3)cc2)CC1 ZINC000598991726 1038986544 /nfs/dbraw/zinc/98/65/44/1038986544.db2.gz DEWLXXDPKVFLAW-HXUWFJFHSA-N 1 1 323.484 3.738 20 30 DHEDMO Cc1cccn2cc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)nc12 ZINC000591853639 1039034264 /nfs/dbraw/zinc/03/42/64/1039034264.db2.gz AZLCKJAXSMSJEP-HNNXBMFYSA-N 1 1 304.397 3.707 20 30 DHEDMO Cc1cccn2cc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)nc12 ZINC000591853639 1039034280 /nfs/dbraw/zinc/03/42/80/1039034280.db2.gz AZLCKJAXSMSJEP-HNNXBMFYSA-N 1 1 304.397 3.707 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000593674383 1039035378 /nfs/dbraw/zinc/03/53/78/1039035378.db2.gz RACPCCHDACKOAG-CQSZACIVSA-N 1 1 312.335 3.578 20 30 DHEDMO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C)c(C#N)c2)c1C ZINC000599261633 1039103843 /nfs/dbraw/zinc/10/38/43/1039103843.db2.gz VMVDZCXIPZWJQR-UHFFFAOYSA-N 1 1 321.424 3.554 20 30 DHEDMO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C)c(C#N)c2)c1C ZINC000599261633 1039103857 /nfs/dbraw/zinc/10/38/57/1039103857.db2.gz VMVDZCXIPZWJQR-UHFFFAOYSA-N 1 1 321.424 3.554 20 30 DHEDMO CCC[N@@H+](Cc1ccncc1C#N)[C@H]1CCc2ccccc2C1 ZINC000592061828 1039107924 /nfs/dbraw/zinc/10/79/24/1039107924.db2.gz SLCSIXICXBPOHZ-FQEVSTJZSA-N 1 1 305.425 3.723 20 30 DHEDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccncc2C#N)C12CCCCC2 ZINC000592073001 1039115837 /nfs/dbraw/zinc/11/58/37/1039115837.db2.gz UEHDPHCDICYWDB-QZTJIDSGSA-N 1 1 313.445 3.513 20 30 DHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccncc2C#N)C12CCCCC2 ZINC000592073001 1039115845 /nfs/dbraw/zinc/11/58/45/1039115845.db2.gz UEHDPHCDICYWDB-QZTJIDSGSA-N 1 1 313.445 3.513 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000592072738 1039116008 /nfs/dbraw/zinc/11/60/08/1039116008.db2.gz FZVQUFDDRWEZLU-KRWDZBQOSA-N 1 1 316.408 3.814 20 30 DHEDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccncc2C#N)C12CCCCC2 ZINC000592073004 1039116338 /nfs/dbraw/zinc/11/63/38/1039116338.db2.gz UEHDPHCDICYWDB-ZWKOTPCHSA-N 1 1 313.445 3.513 20 30 DHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccncc2C#N)C12CCCCC2 ZINC000592073004 1039116343 /nfs/dbraw/zinc/11/63/43/1039116343.db2.gz UEHDPHCDICYWDB-ZWKOTPCHSA-N 1 1 313.445 3.513 20 30 DHEDMO C[N@H+](Cc1ccncc1C#N)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000592121831 1039124165 /nfs/dbraw/zinc/12/41/65/1039124165.db2.gz IUOKUMAZOOCTND-RBUKOAKNSA-N 1 1 321.424 3.631 20 30 DHEDMO C[N@@H+](Cc1ccncc1C#N)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000592121831 1039124173 /nfs/dbraw/zinc/12/41/73/1039124173.db2.gz IUOKUMAZOOCTND-RBUKOAKNSA-N 1 1 321.424 3.631 20 30 DHEDMO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599341594 1039125624 /nfs/dbraw/zinc/12/56/24/1039125624.db2.gz LCSQLTFJJKPQNW-UHFFFAOYSA-N 1 1 310.426 3.516 20 30 DHEDMO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599341594 1039125628 /nfs/dbraw/zinc/12/56/28/1039125628.db2.gz LCSQLTFJJKPQNW-UHFFFAOYSA-N 1 1 310.426 3.516 20 30 DHEDMO COc1cc(C[N@@H+](Cc2ccc(C)c(C#N)c2)C2CC2)ccc1O ZINC000599345638 1039125662 /nfs/dbraw/zinc/12/56/62/1039125662.db2.gz DSYOJHJSDIXLGF-UHFFFAOYSA-N 1 1 322.408 3.746 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1cccc(Cl)c1)C(C)C ZINC000061254857 1039134523 /nfs/dbraw/zinc/13/45/23/1039134523.db2.gz CNFMQRILTLMQJQ-UHFFFAOYSA-N 1 1 322.880 3.975 20 30 DHEDMO C[C@]1(Cc2ccccc2F)CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000592143595 1039138020 /nfs/dbraw/zinc/13/80/20/1039138020.db2.gz JVKJAYRVLAJFQR-QGZVFWFLSA-N 1 1 315.417 3.751 20 30 DHEDMO C[C@]1(Cc2ccccc2F)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000592143595 1039138028 /nfs/dbraw/zinc/13/80/28/1039138028.db2.gz JVKJAYRVLAJFQR-QGZVFWFLSA-N 1 1 315.417 3.751 20 30 DHEDMO CC(C)(C#N)CC[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000599431557 1039158217 /nfs/dbraw/zinc/15/82/17/1039158217.db2.gz KRHPBIVNERAEDH-UHFFFAOYSA-N 1 1 300.446 3.734 20 30 DHEDMO CC(C)(C)OC(=O)[C@]1(C)CCC[N@H+]1CCCCC(C)(C)C#N ZINC000599499396 1039170114 /nfs/dbraw/zinc/17/01/14/1039170114.db2.gz HLUBQVJWMPRNND-SFHVURJKSA-N 1 1 308.466 3.903 20 30 DHEDMO CC[N@H+](CCSC)Cc1cc(C#N)ccc1Br ZINC000592201989 1039180445 /nfs/dbraw/zinc/18/04/45/1039180445.db2.gz MZGGFJWYMRWLHL-UHFFFAOYSA-N 1 1 313.264 3.506 20 30 DHEDMO CC[N@@H+](CCSC)Cc1cc(C#N)ccc1Br ZINC000592201989 1039180453 /nfs/dbraw/zinc/18/04/53/1039180453.db2.gz MZGGFJWYMRWLHL-UHFFFAOYSA-N 1 1 313.264 3.506 20 30 DHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCCC[C@H]3C3CCC3)o2)c1 ZINC000592197174 1039181648 /nfs/dbraw/zinc/18/16/48/1039181648.db2.gz BVTDGCVAZKCFEP-KRWDZBQOSA-N 1 1 322.412 3.763 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)C[C@H](C)C1(F)F ZINC000599512607 1039182665 /nfs/dbraw/zinc/18/26/65/1039182665.db2.gz LHGGWWYRKNVSQR-BETUJISGSA-N 1 1 303.356 3.534 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2cn3ccccc3c2C#N)C[C@H](C)C1(F)F ZINC000599512607 1039182672 /nfs/dbraw/zinc/18/26/72/1039182672.db2.gz LHGGWWYRKNVSQR-BETUJISGSA-N 1 1 303.356 3.534 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+](Cc2ccco2)C2CCCC2)c1 ZINC000603855241 1039190212 /nfs/dbraw/zinc/19/02/12/1039190212.db2.gz JBBKJLRABIWSTD-UHFFFAOYSA-N 1 1 310.397 3.975 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCCNc1nc2c(cc1C#N)CCC2 ZINC000603859810 1039193902 /nfs/dbraw/zinc/19/39/02/1039193902.db2.gz WLYJGKJMMAFAFF-HNNXBMFYSA-N 1 1 312.461 3.508 20 30 DHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)c1 ZINC000603867900 1039199260 /nfs/dbraw/zinc/19/92/60/1039199260.db2.gz BSFXKRHQIMCEAF-IBGZPJMESA-N 1 1 306.409 3.774 20 30 DHEDMO CCCCc1oc2ccccc2c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592524216 1039224154 /nfs/dbraw/zinc/22/41/54/1039224154.db2.gz WJFYOPNUBNGVBV-IBGZPJMESA-N 1 1 312.413 3.626 20 30 DHEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000058525626 1039234874 /nfs/dbraw/zinc/23/48/74/1039234874.db2.gz PZVPRAJLZRIMEP-LJQANCHMSA-N 1 1 306.409 3.774 20 30 DHEDMO C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CC1(C#N)CC1 ZINC000599654373 1039257978 /nfs/dbraw/zinc/25/79/78/1039257978.db2.gz ZVPFLGVEQKETNY-GXTWGEPZSA-N 1 1 319.246 3.931 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000599679162 1039265398 /nfs/dbraw/zinc/26/53/98/1039265398.db2.gz QEKNYGWATORPCZ-UHFFFAOYSA-N 1 1 320.823 3.816 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000599679162 1039265406 /nfs/dbraw/zinc/26/54/06/1039265406.db2.gz QEKNYGWATORPCZ-UHFFFAOYSA-N 1 1 320.823 3.816 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)cc1F ZINC000599681203 1039269762 /nfs/dbraw/zinc/26/97/62/1039269762.db2.gz WZCHRMKXMWDWEW-CYBMUJFWSA-N 1 1 316.401 3.757 20 30 DHEDMO Cc1ccc(CN2CC[C@H](C[N@H+](C)[C@H]3CC[C@H](C#N)C3)C2)s1 ZINC000593030872 1039362263 /nfs/dbraw/zinc/36/22/63/1039362263.db2.gz PIXCPZRNKNNPON-BBWFWOEESA-N 1 1 317.502 3.503 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([NH+]2CCN(c3cc(Cl)ccc3Cl)CC2)C1 ZINC000593053681 1039379948 /nfs/dbraw/zinc/37/99/48/1039379948.db2.gz YKJNVDKRXQIURM-TZMCWYRMSA-N 1 1 324.255 3.808 20 30 DHEDMO CN1CC[N@@H+](CCCCC(C)(C)C#N)[C@@H](Cc2ccccc2)C1 ZINC000593088875 1039435985 /nfs/dbraw/zinc/43/59/85/1039435985.db2.gz MQPTVZXCGUOTNG-IBGZPJMESA-N 1 1 313.489 3.565 20 30 DHEDMO C[N@@H+]1CCN(CCCCC(C)(C)C#N)[C@@H](Cc2ccccc2)C1 ZINC000593088875 1039435990 /nfs/dbraw/zinc/43/59/90/1039435990.db2.gz MQPTVZXCGUOTNG-IBGZPJMESA-N 1 1 313.489 3.565 20 30 DHEDMO C[N@H+]1CCN(CCCCC(C)(C)C#N)[C@@H](Cc2ccccc2)C1 ZINC000593088875 1039435994 /nfs/dbraw/zinc/43/59/94/1039435994.db2.gz MQPTVZXCGUOTNG-IBGZPJMESA-N 1 1 313.489 3.565 20 30 DHEDMO CN(C)CC(C)(C)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000604475538 1039481239 /nfs/dbraw/zinc/48/12/39/1039481239.db2.gz LXTPIHKUAVNMPN-UHFFFAOYSA-N 1 1 313.489 3.568 20 30 DHEDMO COCC[N@@H+](C/C=C\c1ccccc1)Cc1ccc(C#N)cc1 ZINC000604500706 1039488712 /nfs/dbraw/zinc/48/87/12/1039488712.db2.gz KKDHLCVSQNAEHF-YVMONPNESA-N 1 1 306.409 3.720 20 30 DHEDMO CC[C@H](C#N)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000593408661 1039524738 /nfs/dbraw/zinc/52/47/38/1039524738.db2.gz HNGDCRQRSIGTRE-OAHLLOKOSA-N 1 1 310.401 3.543 20 30 DHEDMO CC(C)Cn1nccc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000592497967 1039536206 /nfs/dbraw/zinc/53/62/06/1039536206.db2.gz OXCSGJDLPWZOSQ-UHFFFAOYSA-N 1 1 308.429 3.575 20 30 DHEDMO CC(C)Cn1nccc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000592497967 1039536217 /nfs/dbraw/zinc/53/62/17/1039536217.db2.gz OXCSGJDLPWZOSQ-UHFFFAOYSA-N 1 1 308.429 3.575 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)Cc1ccccc1 ZINC000574295170 1039602571 /nfs/dbraw/zinc/60/25/71/1039602571.db2.gz GRLRXEDNEVRKOX-QGZVFWFLSA-N 1 1 302.462 3.568 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)Cc1ccccc1 ZINC000574295170 1039602580 /nfs/dbraw/zinc/60/25/80/1039602580.db2.gz GRLRXEDNEVRKOX-QGZVFWFLSA-N 1 1 302.462 3.568 20 30 DHEDMO N#CCCCC[C@@H]([NH3+])c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000593941847 1039632125 /nfs/dbraw/zinc/63/21/25/1039632125.db2.gz CCJZLEFAZWXBLI-GNFNDJEDSA-N 1 1 314.433 3.621 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000605738760 1039746092 /nfs/dbraw/zinc/74/60/92/1039746092.db2.gz MWPLSRKEJNIFBR-UHFFFAOYSA-N 1 1 314.473 3.513 20 30 DHEDMO C=CCCC[N@H+](C)Cc1cc2c(cc1Br)OCO2 ZINC000605738756 1039746278 /nfs/dbraw/zinc/74/62/78/1039746278.db2.gz IWPYTCSPNSLIST-UHFFFAOYSA-N 1 1 312.207 3.576 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cn1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000593952246 1039795326 /nfs/dbraw/zinc/79/53/26/1039795326.db2.gz UIEBJOMFAHNNQM-QUCCMNQESA-N 1 1 321.424 3.553 20 30 DHEDMO CC(C)(C#N)c1ccc(CNCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000594493776 1039797991 /nfs/dbraw/zinc/79/79/91/1039797991.db2.gz RRGBUFVSTMISFI-UHFFFAOYSA-N 1 1 313.489 3.842 20 30 DHEDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594495938 1039798155 /nfs/dbraw/zinc/79/81/55/1039798155.db2.gz FVFOHTSCMIWIFS-IAGOWNOFSA-N 1 1 313.489 3.698 20 30 DHEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594495938 1039798176 /nfs/dbraw/zinc/79/81/76/1039798176.db2.gz FVFOHTSCMIWIFS-IAGOWNOFSA-N 1 1 313.489 3.698 20 30 DHEDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594521428 1039828607 /nfs/dbraw/zinc/82/86/07/1039828607.db2.gz QZUCOJHKJCZIIN-MRXNPFEDSA-N 1 1 301.478 3.698 20 30 DHEDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594521428 1039828624 /nfs/dbraw/zinc/82/86/24/1039828624.db2.gz QZUCOJHKJCZIIN-MRXNPFEDSA-N 1 1 301.478 3.698 20 30 DHEDMO N#Cc1ccc2nc(N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)ccc2c1 ZINC000594598766 1039841355 /nfs/dbraw/zinc/84/13/55/1039841355.db2.gz HTZTZBPHNQCDIW-MSOLQXFVSA-N 1 1 306.413 3.535 20 30 DHEDMO N#Cc1ccc2nc(N[C@H]3CCC[N@H+]4CCCC[C@H]34)ccc2c1 ZINC000594598772 1039841771 /nfs/dbraw/zinc/84/17/71/1039841771.db2.gz HTZTZBPHNQCDIW-ZWKOTPCHSA-N 1 1 306.413 3.535 20 30 DHEDMO N#Cc1ccc2nc(N[C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc2c1 ZINC000594598768 1039842441 /nfs/dbraw/zinc/84/24/41/1039842441.db2.gz HTZTZBPHNQCDIW-QZTJIDSGSA-N 1 1 306.413 3.535 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCc2ccc(Cl)cc21 ZINC000594015050 1039940409 /nfs/dbraw/zinc/94/04/09/1039940409.db2.gz UDQUULIFYYKNHT-CYBMUJFWSA-N 1 1 311.816 3.768 20 30 DHEDMO CCCc1nc(C)c(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000594944349 1039956820 /nfs/dbraw/zinc/95/68/20/1039956820.db2.gz OASRHUYNUDTJEY-UHFFFAOYSA-N 1 1 309.413 3.781 20 30 DHEDMO N#CC1(C[NH2+]Cc2cnc(-c3ccncc3)s2)CCCCC1 ZINC000594981254 1039993664 /nfs/dbraw/zinc/99/36/64/1039993664.db2.gz MHNURPCZCXPJKT-UHFFFAOYSA-N 1 1 312.442 3.769 20 30 DHEDMO C=CCCSCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000595057155 1040023432 /nfs/dbraw/zinc/02/34/32/1040023432.db2.gz AVNSPMPKCXAFIQ-QGZVFWFLSA-N 1 1 319.449 3.548 20 30 DHEDMO C[C@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(C#N)c(F)c1 ZINC000595078761 1040073962 /nfs/dbraw/zinc/07/39/62/1040073962.db2.gz AQWQOVBNZBQCSP-YOEHRIQHSA-N 1 1 315.436 3.755 20 30 DHEDMO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)c1ccc(C#N)c(F)c1 ZINC000595078761 1040073981 /nfs/dbraw/zinc/07/39/81/1040073981.db2.gz AQWQOVBNZBQCSP-YOEHRIQHSA-N 1 1 315.436 3.755 20 30 DHEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1ccccc1N1CCCC1 ZINC000595285414 1040095684 /nfs/dbraw/zinc/09/56/84/1040095684.db2.gz WWKXACSXFRDLEF-UHFFFAOYSA-N 1 1 319.452 3.833 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595329531 1040098948 /nfs/dbraw/zinc/09/89/48/1040098948.db2.gz UEOHRXVLIDFEAD-SFHVURJKSA-N 1 1 306.409 3.599 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000593019959 1040146176 /nfs/dbraw/zinc/14/61/76/1040146176.db2.gz NZBOBNKNIAWKGM-QGZVFWFLSA-N 1 1 323.352 3.509 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000593019959 1040146181 /nfs/dbraw/zinc/14/61/81/1040146181.db2.gz NZBOBNKNIAWKGM-QGZVFWFLSA-N 1 1 323.352 3.509 20 30 DHEDMO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595560793 1040172817 /nfs/dbraw/zinc/17/28/17/1040172817.db2.gz ZWJASKGBZCAFTD-QRWLVFNGSA-N 1 1 324.399 3.702 20 30 DHEDMO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595560793 1040172825 /nfs/dbraw/zinc/17/28/25/1040172825.db2.gz ZWJASKGBZCAFTD-QRWLVFNGSA-N 1 1 324.399 3.702 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000595620253 1040192680 /nfs/dbraw/zinc/19/26/80/1040192680.db2.gz LDVZMETZWDRVTN-HNNXBMFYSA-N 1 1 322.330 3.562 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000595620253 1040192687 /nfs/dbraw/zinc/19/26/87/1040192687.db2.gz LDVZMETZWDRVTN-HNNXBMFYSA-N 1 1 322.330 3.562 20 30 DHEDMO CC[C@H](C)[N@@H+](CC)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000595601575 1040201256 /nfs/dbraw/zinc/20/12/56/1040201256.db2.gz SKYKHXPKGNPOLL-LBPRGKRZSA-N 1 1 319.474 3.557 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)cc1 ZINC000595716505 1040229748 /nfs/dbraw/zinc/22/97/48/1040229748.db2.gz ICVNKECGHFMIBJ-SFHVURJKSA-N 1 1 308.381 3.505 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)cc1 ZINC000595716505 1040229763 /nfs/dbraw/zinc/22/97/63/1040229763.db2.gz ICVNKECGHFMIBJ-SFHVURJKSA-N 1 1 308.381 3.505 20 30 DHEDMO CN(CCc1ccccc1)[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000595751156 1040239860 /nfs/dbraw/zinc/23/98/60/1040239860.db2.gz VZJYFYVRZMJVDU-IBGZPJMESA-N 1 1 313.489 3.565 20 30 DHEDMO C[N@H+](CCc1ccccc1)[C@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000595751156 1040239880 /nfs/dbraw/zinc/23/98/80/1040239880.db2.gz VZJYFYVRZMJVDU-IBGZPJMESA-N 1 1 313.489 3.565 20 30 DHEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000595751156 1040239896 /nfs/dbraw/zinc/23/98/96/1040239896.db2.gz VZJYFYVRZMJVDU-IBGZPJMESA-N 1 1 313.489 3.565 20 30 DHEDMO COc1cccc(C2([NH2+]Cc3cccc(F)c3C#N)CCC2)c1 ZINC000595852593 1040263013 /nfs/dbraw/zinc/26/30/13/1040263013.db2.gz PMJCRXPIFUHTAT-UHFFFAOYSA-N 1 1 310.372 3.875 20 30 DHEDMO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H](CC(F)(F)F)O1 ZINC000595891429 1040268428 /nfs/dbraw/zinc/26/84/28/1040268428.db2.gz HAVHEJOLLQDVBT-OLZOCXBDSA-N 1 1 306.372 3.748 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@H](CC(F)(F)F)O1 ZINC000595891429 1040268437 /nfs/dbraw/zinc/26/84/37/1040268437.db2.gz HAVHEJOLLQDVBT-OLZOCXBDSA-N 1 1 306.372 3.748 20 30 DHEDMO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@@H](CC(F)(F)F)O1 ZINC000595891420 1040269633 /nfs/dbraw/zinc/26/96/33/1040269633.db2.gz HAVHEJOLLQDVBT-CHWSQXEVSA-N 1 1 306.372 3.748 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@@H](CC(F)(F)F)O1 ZINC000595891420 1040269643 /nfs/dbraw/zinc/26/96/43/1040269643.db2.gz HAVHEJOLLQDVBT-CHWSQXEVSA-N 1 1 306.372 3.748 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@](C)(C(F)F)O1 ZINC000595918957 1040284238 /nfs/dbraw/zinc/28/42/38/1040284238.db2.gz PGLIYMACBFWTOY-FZKQIMNGSA-N 1 1 322.399 3.732 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@](C)(C(F)F)O1 ZINC000595918957 1040284248 /nfs/dbraw/zinc/28/42/48/1040284248.db2.gz PGLIYMACBFWTOY-FZKQIMNGSA-N 1 1 322.399 3.732 20 30 DHEDMO Cc1ccc(C#N)nc1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000596151835 1040320614 /nfs/dbraw/zinc/32/06/14/1040320614.db2.gz BJWGLDBLUALMFW-VQIMIIECSA-N 1 1 320.440 3.584 20 30 DHEDMO CC(C)[N@@H+](CCOc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000063751172 1040489753 /nfs/dbraw/zinc/48/97/53/1040489753.db2.gz LOMHSQQYGNKMDY-UHFFFAOYSA-N 1 1 312.388 3.987 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(N(C)C)c1 ZINC000608493055 1040522561 /nfs/dbraw/zinc/52/25/61/1040522561.db2.gz IITHLIBPAYQHJC-UHFFFAOYSA-N 1 1 310.441 3.949 20 30 DHEDMO Cc1cc(-c2ccc(C[NH+]3CCOCC3)cc2)ccc1CC#N ZINC000596636336 1040531632 /nfs/dbraw/zinc/53/16/32/1040531632.db2.gz LPRIWDWSHLWIIB-UHFFFAOYSA-N 1 1 306.409 3.560 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@]4(CCCOC4)C3)cc2)CC1 ZINC000597011481 1040623118 /nfs/dbraw/zinc/62/31/18/1040623118.db2.gz AHZJBBRAZCDVQC-LJQANCHMSA-N 1 1 310.441 3.634 20 30 DHEDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597111961 1040654394 /nfs/dbraw/zinc/65/43/94/1040654394.db2.gz XBMSFCIRZGLDRD-FQEVSTJZSA-N 1 1 312.457 3.615 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H](C[C@@H]4CCOC4)C3)cc2)CC1 ZINC000597133858 1040661426 /nfs/dbraw/zinc/66/14/26/1040661426.db2.gz WQKGNGMCLIWZQI-MOPGFXCFSA-N 1 1 324.468 3.880 20 30 DHEDMO CC[C@@H](C)Oc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1OC ZINC000597172489 1040666531 /nfs/dbraw/zinc/66/65/31/1040666531.db2.gz AXWYUWWYIFFWAG-CVEARBPZSA-N 1 1 316.445 3.998 20 30 DHEDMO CCn1cc(C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C(C)C)cn1 ZINC000597159374 1040669425 /nfs/dbraw/zinc/66/94/25/1040669425.db2.gz ZEINUTKJRXEUKN-UHFFFAOYSA-N 1 1 322.456 3.869 20 30 DHEDMO C=CC[N@H+](CCOc1ccccc1C#N)Cc1ccc(OC)cc1 ZINC000060479428 1040671724 /nfs/dbraw/zinc/67/17/24/1040671724.db2.gz YDVKQSJVTLPUJX-UHFFFAOYSA-N 1 1 322.408 3.634 20 30 DHEDMO C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCOc1ccccc1C#N ZINC000060478205 1040671835 /nfs/dbraw/zinc/67/18/35/1040671835.db2.gz GQYGNTHFSOOQDB-ZDUSSCGKSA-N 1 1 316.351 3.908 20 30 DHEDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCOc1ccccc1C#N ZINC000060478205 1040671841 /nfs/dbraw/zinc/67/18/41/1040671841.db2.gz GQYGNTHFSOOQDB-ZDUSSCGKSA-N 1 1 316.351 3.908 20 30 DHEDMO C=CC[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1F ZINC000060479838 1040673318 /nfs/dbraw/zinc/67/33/18/1040673318.db2.gz KABBUQWYLFSQBJ-UHFFFAOYSA-N 1 1 310.372 3.764 20 30 DHEDMO C=CC[N@H+](CCOc1ccccc1C#N)Cc1ccccc1F ZINC000060479838 1040673328 /nfs/dbraw/zinc/67/33/28/1040673328.db2.gz KABBUQWYLFSQBJ-UHFFFAOYSA-N 1 1 310.372 3.764 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(-c2ccnn2C)c1 ZINC000597175440 1040675788 /nfs/dbraw/zinc/67/57/88/1040675788.db2.gz AZAYJHSUMFPWGI-INIZCTEOSA-N 1 1 308.429 3.521 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(C2CCCCC2)n1 ZINC000597178272 1040678600 /nfs/dbraw/zinc/67/86/00/1040678600.db2.gz WTFCAMPYLWOXFB-OAHLLOKOSA-N 1 1 300.450 3.593 20 30 DHEDMO Cc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)ccc1Oc1cccnc1 ZINC000597230043 1040694835 /nfs/dbraw/zinc/69/48/35/1040694835.db2.gz OWXFXARQMCFAKL-LJQANCHMSA-N 1 1 307.397 3.918 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)ccc1Oc1cccnc1 ZINC000597230043 1040694841 /nfs/dbraw/zinc/69/48/41/1040694841.db2.gz OWXFXARQMCFAKL-LJQANCHMSA-N 1 1 307.397 3.918 20 30 DHEDMO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597258735 1040705182 /nfs/dbraw/zinc/70/51/82/1040705182.db2.gz RHBZHXMKNMSFRO-UHFFFAOYSA-N 1 1 320.440 3.549 20 30 DHEDMO C=CCSc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457077985 1041017131 /nfs/dbraw/zinc/01/71/31/1041017131.db2.gz ACKVPHGHXCNRLD-OAHLLOKOSA-N 1 1 318.486 3.519 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1ccc(Br)s1 ZINC000602434647 1041033949 /nfs/dbraw/zinc/03/39/49/1041033949.db2.gz YBIKNQCRDSENKM-SNVBAGLBSA-N 1 1 301.253 3.882 20 30 DHEDMO CC[N@@H+](Cc1cncc(OC)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000602445065 1041035196 /nfs/dbraw/zinc/03/51/96/1041035196.db2.gz RRFGJTGCRSFDKC-HNNXBMFYSA-N 1 1 309.413 3.853 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2nccnc2c1 ZINC000602443682 1041037349 /nfs/dbraw/zinc/03/73/49/1041037349.db2.gz KDOVTAIUYDUDQZ-UHFFFAOYSA-N 1 1 316.408 3.914 20 30 DHEDMO Cc1cc(C)nc(N=NC2C[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000761253268 1041044139 /nfs/dbraw/zinc/04/41/39/1041044139.db2.gz YDXDDPSYUOIDOI-UHFFFAOYSA-N 1 1 323.444 3.546 20 30 DHEDMO COc1ccc(C[C@@H]2CCC[N@@H+](C[C@@H](C)CCC#N)C2)cc1 ZINC000602470190 1041047881 /nfs/dbraw/zinc/04/78/81/1041047881.db2.gz XZPUDNYHMQLMCY-WMZOPIPTSA-N 1 1 300.446 3.890 20 30 DHEDMO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@@H](C)CCC#N ZINC000602482963 1041054392 /nfs/dbraw/zinc/05/43/92/1041054392.db2.gz HRGOTEJMNFFTDI-DOTOQJQBSA-N 1 1 302.418 3.553 20 30 DHEDMO N#Cc1cccc(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)n1 ZINC000602515432 1041062515 /nfs/dbraw/zinc/06/25/15/1041062515.db2.gz YATQPPQCCGPSCM-HNNXBMFYSA-N 1 1 315.829 3.933 20 30 DHEDMO N#CC1CCC([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000602523907 1041071168 /nfs/dbraw/zinc/07/11/68/1041071168.db2.gz IBOSGRMFWUYNPI-SYYJFZTOSA-N 1 1 311.473 3.571 20 30 DHEDMO C[C@@H]([NH2+]C1CCC(C#N)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000602590063 1041104809 /nfs/dbraw/zinc/10/48/09/1041104809.db2.gz VSSVELDIJXUAGL-PYXOFJJQSA-N 1 1 311.473 3.569 20 30 DHEDMO Cc1cc(NCc2cccc(C#N)n2)c[nH+]c1N1CCCC[C@H]1C ZINC000602605384 1041123776 /nfs/dbraw/zinc/12/37/76/1041123776.db2.gz IXIUQYFFTVXQPD-OAHLLOKOSA-N 1 1 321.428 3.648 20 30 DHEDMO N#Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000602661731 1041148124 /nfs/dbraw/zinc/14/81/24/1041148124.db2.gz KUGIFSVAQRITFV-ZCNNSNEGSA-N 1 1 303.409 3.721 20 30 DHEDMO CCC[N@@H+](CC1(CC#N)CC1)[C@H](C)C(=O)Nc1ccccc1C ZINC000602821107 1041259957 /nfs/dbraw/zinc/25/99/57/1041259957.db2.gz KWRXDAIQKXCDBN-MRXNPFEDSA-N 1 1 313.445 3.728 20 30 DHEDMO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)CC1(CC#N)CC1 ZINC000602841467 1041269083 /nfs/dbraw/zinc/26/90/83/1041269083.db2.gz OEXKINWXBAMGME-NSHDSACASA-N 1 1 302.809 3.903 20 30 DHEDMO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CC1(CC#N)CC1 ZINC000602841467 1041269114 /nfs/dbraw/zinc/26/91/14/1041269114.db2.gz OEXKINWXBAMGME-NSHDSACASA-N 1 1 302.809 3.903 20 30 DHEDMO C[N@@H+](CCCCC#N)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000602891931 1041297686 /nfs/dbraw/zinc/29/76/86/1041297686.db2.gz DSEOGHXZLPVIOK-UHFFFAOYSA-N 1 1 310.323 3.707 20 30 DHEDMO C[N@H+](CCCCC#N)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000602891931 1041297735 /nfs/dbraw/zinc/29/77/35/1041297735.db2.gz DSEOGHXZLPVIOK-UHFFFAOYSA-N 1 1 310.323 3.707 20 30 DHEDMO C[N@@H+](CCCCC#N)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000602891931 1041297750 /nfs/dbraw/zinc/29/77/50/1041297750.db2.gz DSEOGHXZLPVIOK-UHFFFAOYSA-N 1 1 310.323 3.707 20 30 DHEDMO N#Cc1ccc(F)c(C[NH+]2CCC(c3ccc(F)cn3)CC2)c1 ZINC000602905859 1041304189 /nfs/dbraw/zinc/30/41/89/1041304189.db2.gz UIZPMNMFTMGNPS-UHFFFAOYSA-N 1 1 313.351 3.611 20 30 DHEDMO N#Cc1ccc(C2CC[NH+](Cc3cccc(F)c3F)CC2)nc1 ZINC000602913046 1041311500 /nfs/dbraw/zinc/31/15/00/1041311500.db2.gz QURQRXNTZPUDMZ-UHFFFAOYSA-N 1 1 313.351 3.611 20 30 DHEDMO C[N@H+](Cc1cccc(OCc2ccccn2)c1)[C@H]1CCC[C@H]1C#N ZINC000602982614 1041329632 /nfs/dbraw/zinc/32/96/32/1041329632.db2.gz VKCYFLIYHJYSLC-PXNSSMCTSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@@H+](Cc1cccc(OCc2ccccn2)c1)[C@H]1CCC[C@H]1C#N ZINC000602982614 1041329638 /nfs/dbraw/zinc/32/96/38/1041329638.db2.gz VKCYFLIYHJYSLC-PXNSSMCTSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@H+](Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCC[C@H]1C#N ZINC000602975518 1041334660 /nfs/dbraw/zinc/33/46/60/1041334660.db2.gz BZUDONXZXSTJBD-ZFWWWQNUSA-N 1 1 312.335 3.752 20 30 DHEDMO C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCC[C@H]1C#N ZINC000602975518 1041334673 /nfs/dbraw/zinc/33/46/73/1041334673.db2.gz BZUDONXZXSTJBD-ZFWWWQNUSA-N 1 1 312.335 3.752 20 30 DHEDMO N#CC1(CCC[N@H+]2CCC[C@@H](C3CCC3)CC2)CCOCC1 ZINC000603000030 1041337024 /nfs/dbraw/zinc/33/70/24/1041337024.db2.gz RYDKVJXDPLWRES-GOSISDBHSA-N 1 1 304.478 3.989 20 30 DHEDMO CC(C)(C)c1ccc2c(c1)C[N@H+](C[C@@H](O)CC(C)(C)C#N)CC2 ZINC000598600916 1041345731 /nfs/dbraw/zinc/34/57/31/1041345731.db2.gz CBCZGMFNGSBGNS-SFHVURJKSA-N 1 1 314.473 3.643 20 30 DHEDMO CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@H](O)CC(C)(C)C#N ZINC000598585630 1041347246 /nfs/dbraw/zinc/34/72/46/1041347246.db2.gz HIXWIYPSBXEREC-MRXNPFEDSA-N 1 1 308.853 3.851 20 30 DHEDMO CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@H]1CCc2ccccc2C1 ZINC000598587945 1041347366 /nfs/dbraw/zinc/34/73/66/1041347366.db2.gz XMMQSHDQAPRQLC-OALUTQOASA-N 1 1 314.473 3.557 20 30 DHEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C[C@H](O)CC(C)(C)C#N)C2CC2)o1 ZINC000598585164 1041348162 /nfs/dbraw/zinc/34/81/62/1041348162.db2.gz VKMJASXXIDRIPU-UNEWFSDZSA-N 1 1 316.445 3.668 20 30 DHEDMO CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C)c1ccccc1OC ZINC000598587075 1041348571 /nfs/dbraw/zinc/34/85/71/1041348571.db2.gz NJHRPODXGKHJCL-CVEARBPZSA-N 1 1 318.461 3.769 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000598587599 1041348664 /nfs/dbraw/zinc/34/86/64/1041348664.db2.gz SFMBYDJNNOFKOG-GOSISDBHSA-N 1 1 300.446 3.589 20 30 DHEDMO C[N@@H+](CCc1cccc2ccccc21)C[C@H](O)CC(C)(C)C#N ZINC000598591751 1041350914 /nfs/dbraw/zinc/35/09/14/1041350914.db2.gz ZSIDRNFWGXTTPD-GOSISDBHSA-N 1 1 310.441 3.615 20 30 DHEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@@H](O)CC(C)(C)C#N ZINC000598593112 1041351468 /nfs/dbraw/zinc/35/14/68/1041351468.db2.gz PZFJXLACFDMPDH-MSOLQXFVSA-N 1 1 302.462 3.630 20 30 DHEDMO CCc1ccc(C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C2CC2)cc1 ZINC000598588333 1041351610 /nfs/dbraw/zinc/35/16/10/1041351610.db2.gz IXTYHTDLLOSHQS-SFHVURJKSA-N 1 1 300.446 3.514 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000598590518 1041352071 /nfs/dbraw/zinc/35/20/71/1041352071.db2.gz NMAHIUXYELISDH-IBGZPJMESA-N 1 1 314.473 3.774 20 30 DHEDMO CC[N@H+](Cc1ccc2ccccc2c1)C[C@@H](O)CC(C)(C)C#N ZINC000598587348 1041352110 /nfs/dbraw/zinc/35/21/10/1041352110.db2.gz QSAGECJISBVGOU-IBGZPJMESA-N 1 1 310.441 3.962 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000598595447 1041353409 /nfs/dbraw/zinc/35/34/09/1041353409.db2.gz SZXWBDNYSHMUIZ-SFHVURJKSA-N 1 1 318.436 3.871 20 30 DHEDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598595569 1041355224 /nfs/dbraw/zinc/35/52/24/1041355224.db2.gz PFBPZFNLFUGAKB-UXLLHSPISA-N 1 1 318.461 3.916 20 30 DHEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598595383 1041357246 /nfs/dbraw/zinc/35/72/46/1041357246.db2.gz NNEJRHLYPWHJPZ-ROUUACIJSA-N 1 1 320.452 3.625 20 30 DHEDMO C[C@H](C[N@@H+](C)CCC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000603053354 1041359460 /nfs/dbraw/zinc/35/94/60/1041359460.db2.gz BDRJTWDXVPERFA-GFCCVEGCSA-N 1 1 307.463 3.562 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000598616215 1041361481 /nfs/dbraw/zinc/36/14/81/1041361481.db2.gz KPCACJJOIJTURO-MANSERQUSA-N 1 1 312.457 3.555 20 30 DHEDMO O[C@@H](C[C@H]1CCC[N@H+]1CC#Cc1ccccc1)c1cccs1 ZINC000192062360 335023111 /nfs/dbraw/zinc/02/31/11/335023111.db2.gz RBXCPJSMMTWPGD-MSOLQXFVSA-N 1 1 311.450 3.688 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2cccnc2)cc1OC ZINC000183720467 335041024 /nfs/dbraw/zinc/04/10/24/335041024.db2.gz DBEIXCXXNQRXCE-HNNXBMFYSA-N 1 1 312.413 3.848 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1OC ZINC000289662053 335062601 /nfs/dbraw/zinc/06/26/01/335062601.db2.gz CVEXOUAQIWSRNK-SFHVURJKSA-N 1 1 324.424 3.992 20 30 DHEDMO CC[N@@H+](Cc1cn(C)nc1C(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000274496138 130241277 /nfs/dbraw/zinc/24/12/77/130241277.db2.gz QLQPKDUCKIAGTO-LBPRGKRZSA-N 1 1 318.371 3.812 20 30 DHEDMO COc1ccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1C#N ZINC000340196546 131137045 /nfs/dbraw/zinc/13/70/45/131137045.db2.gz MENHLAAFLUCRNA-GOSISDBHSA-N 1 1 324.449 3.857 20 30 DHEDMO COc1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1C#N ZINC000340196546 131137047 /nfs/dbraw/zinc/13/70/47/131137047.db2.gz MENHLAAFLUCRNA-GOSISDBHSA-N 1 1 324.449 3.857 20 30 DHEDMO C[C@H]1CCC[N@@H+](CCCCNc2nc(Cl)c(C#N)s2)C1 ZINC000286373077 131232877 /nfs/dbraw/zinc/23/28/77/131232877.db2.gz MJSILOIJJXIMJI-NSHDSACASA-N 1 1 312.870 3.592 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@](F)(CO)C2)cc1 ZINC000286796211 131250933 /nfs/dbraw/zinc/25/09/33/131250933.db2.gz ILNUAYWDILYIBC-HXUWFJFHSA-N 1 1 324.399 3.522 20 30 DHEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nc3ccccc3c(C)c2C#N)C1 ZINC000297187650 132003232 /nfs/dbraw/zinc/00/32/32/132003232.db2.gz QLNUWVNLDZFFGC-INIZCTEOSA-N 1 1 322.456 3.583 20 30 DHEDMO C[C@H](Nc1cc[nH+]cc1Br)c1ccc(C#N)cc1 ZINC000163900618 132125731 /nfs/dbraw/zinc/12/57/31/132125731.db2.gz GHZRZRGLRSJOQZ-JTQLQIEISA-N 1 1 302.175 3.889 20 30 DHEDMO C=C(C)CN1CCC([NH2+][C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000289790631 335065399 /nfs/dbraw/zinc/06/53/99/335065399.db2.gz OJYZFDJEDJAONF-SFHVURJKSA-N 1 1 322.880 3.658 20 30 DHEDMO CCCN(CC1(C#N)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000343319004 335075988 /nfs/dbraw/zinc/07/59/88/335075988.db2.gz HUNQXTYENGEMGP-LJQANCHMSA-N 1 1 311.473 3.667 20 30 DHEDMO CCC[N@H+](CC1(C#N)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000343319004 335075989 /nfs/dbraw/zinc/07/59/89/335075989.db2.gz HUNQXTYENGEMGP-LJQANCHMSA-N 1 1 311.473 3.667 20 30 DHEDMO CCC[N@@H+](CC1(C#N)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000343319004 335075990 /nfs/dbraw/zinc/07/59/90/335075990.db2.gz HUNQXTYENGEMGP-LJQANCHMSA-N 1 1 311.473 3.667 20 30 DHEDMO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000127222768 332000308 /nfs/dbraw/zinc/00/03/08/332000308.db2.gz AQDLDRGESDDBRC-LBPRGKRZSA-N 1 1 311.360 3.507 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000518298426 332008781 /nfs/dbraw/zinc/00/87/81/332008781.db2.gz OWUMITSPPQBUTN-LBPRGKRZSA-N 1 1 311.351 3.863 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000520042977 332030221 /nfs/dbraw/zinc/03/02/21/332030221.db2.gz RSECHZYPPZKPTC-LJQANCHMSA-N 1 1 312.457 3.804 20 30 DHEDMO COc1ccc2c(c1OC)CC[N@H+](CCCCC(C)(C)C#N)C2 ZINC000409447949 332033366 /nfs/dbraw/zinc/03/33/66/332033366.db2.gz LVBWWWYSSINWIT-UHFFFAOYSA-N 1 1 316.445 3.782 20 30 DHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](CC)[C@H](C)C(C)C ZINC000520060028 332053043 /nfs/dbraw/zinc/05/30/43/332053043.db2.gz DDLPDDYXRXXEHQ-SJLPKXTDSA-N 1 1 305.462 3.521 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+](Cc2ccc(C(C)C)cc2)C2CC2)C1=O ZINC000410298493 332109661 /nfs/dbraw/zinc/10/96/61/332109661.db2.gz QLZDGWSGYMCZSX-LJQANCHMSA-N 1 1 312.457 3.561 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H](c2ccccc2Cl)C(C)C)C1=O ZINC000410369894 332118636 /nfs/dbraw/zinc/11/86/36/332118636.db2.gz GGUKRZBSSOOOTH-SJORKVTESA-N 1 1 320.864 3.756 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H](c2ccccc2Cl)C(C)C)C1=O ZINC000410369894 332118637 /nfs/dbraw/zinc/11/86/37/332118637.db2.gz GGUKRZBSSOOOTH-SJORKVTESA-N 1 1 320.864 3.756 20 30 DHEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000092660917 332138437 /nfs/dbraw/zinc/13/84/37/332138437.db2.gz QPKUZAJNGIPPEM-MRXNPFEDSA-N 1 1 312.438 3.835 20 30 DHEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@H](c2ccc(F)cc2)O1 ZINC000093606542 332140766 /nfs/dbraw/zinc/14/07/66/332140766.db2.gz YOKWWTZNBNWXHR-RHSMWYFYSA-N 1 1 304.409 3.917 20 30 DHEDMO C=CCC(C)(C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000410508306 332149311 /nfs/dbraw/zinc/14/93/11/332149311.db2.gz KHTIDOYMAOTOCS-KRWDZBQOSA-N 1 1 314.473 3.712 20 30 DHEDMO C[C@@H]1C[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000317753311 332170915 /nfs/dbraw/zinc/17/09/15/332170915.db2.gz ORCADJZRBFAAMB-ZWNOBZJWSA-N 1 1 309.335 3.614 20 30 DHEDMO C=CCC[C@H](C(=O)NCCNc1cccc(C)[nH+]1)c1ccccc1 ZINC000427255660 332189187 /nfs/dbraw/zinc/18/91/87/332189187.db2.gz GZUWKXUIOVULMV-SFHVURJKSA-N 1 1 323.440 3.668 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000323105817 332208413 /nfs/dbraw/zinc/20/84/13/332208413.db2.gz DCRPVSLRXKKMEI-CQSZACIVSA-N 1 1 312.388 3.769 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1OC ZINC000292808273 335095186 /nfs/dbraw/zinc/09/51/86/335095186.db2.gz OIBXRFBFNIHILH-DLBZAZTESA-N 1 1 323.383 3.737 20 30 DHEDMO N#CCCCC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000102398073 332225478 /nfs/dbraw/zinc/22/54/78/332225478.db2.gz GKJYJKUGTCJWLK-OAHLLOKOSA-N 1 1 323.234 3.516 20 30 DHEDMO N#CCCCC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000102398073 332225479 /nfs/dbraw/zinc/22/54/79/332225479.db2.gz GKJYJKUGTCJWLK-OAHLLOKOSA-N 1 1 323.234 3.516 20 30 DHEDMO CC(C)(C)OC(=O)N1CCC([N@@H+](CCCCC#N)C2CC2)CC1 ZINC000370790234 332252033 /nfs/dbraw/zinc/25/20/33/332252033.db2.gz AFEVOWXXVHCNSD-UHFFFAOYSA-N 1 1 321.465 3.544 20 30 DHEDMO C=CCNC(=O)C[N@@H+](CC(C)C)[C@H](C)c1ccccc1Cl ZINC000560182174 332317455 /nfs/dbraw/zinc/31/74/55/332317455.db2.gz DIWJFBMHPAVEQK-CQSZACIVSA-N 1 1 308.853 3.661 20 30 DHEDMO C=CCNC(=O)C[N@H+](CC(C)C)[C@H](C)c1ccccc1Cl ZINC000560182174 332317456 /nfs/dbraw/zinc/31/74/56/332317456.db2.gz DIWJFBMHPAVEQK-CQSZACIVSA-N 1 1 308.853 3.661 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc([S@@](C)=O)cc1 ZINC000119946091 332326868 /nfs/dbraw/zinc/32/68/68/332326868.db2.gz QHCCTHNZNCRPAL-FQEVSTJZSA-N 1 1 305.468 3.674 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc([S@@](C)=O)cc1 ZINC000119946091 332326869 /nfs/dbraw/zinc/32/68/69/332326869.db2.gz QHCCTHNZNCRPAL-FQEVSTJZSA-N 1 1 305.468 3.674 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000152932150 332332603 /nfs/dbraw/zinc/33/26/03/332332603.db2.gz YTLFHDLYYWAXFE-QGZVFWFLSA-N 1 1 320.477 3.993 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000560673567 332375852 /nfs/dbraw/zinc/37/58/52/332375852.db2.gz BZIKVPUSQNJSLA-KRWDZBQOSA-N 1 1 310.372 3.566 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000119907791 332379890 /nfs/dbraw/zinc/37/98/90/332379890.db2.gz SEBGOPKMFJWWBY-OAHLLOKOSA-N 1 1 300.402 3.535 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000120003843 332380905 /nfs/dbraw/zinc/38/09/05/332380905.db2.gz XCSBDKYOQXBLTM-IRXDYDNUSA-N 1 1 304.409 3.653 20 30 DHEDMO CN(CCC#N)c1ccc(CNc2ccc3c(c2)C[N@H+](C)C3)cc1 ZINC000121265364 332394213 /nfs/dbraw/zinc/39/42/13/332394213.db2.gz DZYABUGYHIPGSS-UHFFFAOYSA-N 1 1 320.440 3.594 20 30 DHEDMO C=CCCC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC000560972985 332397528 /nfs/dbraw/zinc/39/75/28/332397528.db2.gz KUIXAEBXVOQKKF-MRXNPFEDSA-N 1 1 308.853 3.805 20 30 DHEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Br)cc1 ZINC000352843194 332410453 /nfs/dbraw/zinc/41/04/53/332410453.db2.gz YIZTXCCJYYNUAA-VIFPVBQESA-N 1 1 322.231 3.628 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000466245995 333008299 /nfs/dbraw/zinc/00/82/99/333008299.db2.gz IYIWFKCVMHLRAJ-BZSNNMDCSA-N 1 1 314.473 3.710 20 30 DHEDMO C=CCC1(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCCCC1 ZINC000580280759 333054744 /nfs/dbraw/zinc/05/47/44/333054744.db2.gz OMQHSYNTCVZNBO-UHFFFAOYSA-N 1 1 306.494 3.846 20 30 DHEDMO Cc1cccc(NC(=O)C[N@@H+](C)CCCC(C)(C)C#N)c1C ZINC000174809563 333091073 /nfs/dbraw/zinc/09/10/73/333091073.db2.gz SCNMCOCICCERJH-UHFFFAOYSA-N 1 1 301.434 3.504 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000215935700 333102727 /nfs/dbraw/zinc/10/27/27/333102727.db2.gz CQLRNRRGYCBXQR-SFHVURJKSA-N 1 1 300.446 3.638 20 30 DHEDMO Cc1noc([C@H]2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)n1 ZINC000178518045 333140237 /nfs/dbraw/zinc/14/02/37/333140237.db2.gz YUIMGKLONLGTOU-INIZCTEOSA-N 1 1 324.428 3.559 20 30 DHEDMO N#CCC[C@H]([NH2+]Cc1cccc2c1OCCO2)c1ccccc1 ZINC000178755575 333143552 /nfs/dbraw/zinc/14/35/52/333143552.db2.gz UMHOGLDKXDSGCI-KRWDZBQOSA-N 1 1 308.381 3.592 20 30 DHEDMO CC[N@@H+](CCCCCn1c(C)nc2ccccc21)C[C@H](C)C#N ZINC000463078466 333157085 /nfs/dbraw/zinc/15/70/85/333157085.db2.gz SFPOJVAXTGTQOX-MRXNPFEDSA-N 1 1 312.461 3.997 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](O)c3ccccc3C2)c1 ZINC000363870254 333187200 /nfs/dbraw/zinc/18/72/00/333187200.db2.gz UPWSXRODNPNCQW-HXUWFJFHSA-N 1 1 309.409 3.691 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000185344961 335129171 /nfs/dbraw/zinc/12/91/71/335129171.db2.gz NETAYMVEMLOSNZ-CVEARBPZSA-N 1 1 320.502 3.679 20 30 DHEDMO N#Cc1ccc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000310403944 333246369 /nfs/dbraw/zinc/24/63/69/333246369.db2.gz NSPDDHLOWJJUHL-SFHVURJKSA-N 1 1 320.440 3.667 20 30 DHEDMO Cc1nc([C@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)cs1 ZINC000189763982 333262423 /nfs/dbraw/zinc/26/24/23/333262423.db2.gz HUNDJDKQGYTCQG-QGZVFWFLSA-N 1 1 313.426 3.539 20 30 DHEDMO Cc1nc([C@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)cs1 ZINC000189763982 333262424 /nfs/dbraw/zinc/26/24/24/333262424.db2.gz HUNDJDKQGYTCQG-QGZVFWFLSA-N 1 1 313.426 3.539 20 30 DHEDMO N#CCCC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000189808737 333263385 /nfs/dbraw/zinc/26/33/85/333263385.db2.gz DKVJXNWMBDSZFK-UHFFFAOYSA-N 1 1 307.235 3.932 20 30 DHEDMO CCc1ccc([C@H]2C[N@@H+](CCCC(C)(C)C#N)CCO2)cc1 ZINC000190305276 333269773 /nfs/dbraw/zinc/26/97/73/333269773.db2.gz ZMFOIMJTOUJEJK-GOSISDBHSA-N 1 1 300.446 3.952 20 30 DHEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)CCC1 ZINC000364213430 333273575 /nfs/dbraw/zinc/27/35/75/333273575.db2.gz LKBQPBPOGADGLB-GDBMZVCRSA-N 1 1 318.486 3.604 20 30 DHEDMO C=CCC(CC=C)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000364427263 333313667 /nfs/dbraw/zinc/31/36/67/333313667.db2.gz HCWRLRPWISPBAO-WBVHZDCISA-N 1 1 318.486 3.626 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1nc(-c2cccc(F)c2)no1 ZINC000194755119 333315798 /nfs/dbraw/zinc/31/57/98/333315798.db2.gz GCUZCRAFHVILKX-SLEUVZQESA-N 1 1 314.364 3.609 20 30 DHEDMO C=CCC1(C(=O)N2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)CCC1 ZINC000364573567 333325252 /nfs/dbraw/zinc/32/52/52/333325252.db2.gz FRUHTMPITBSTGH-MRXNPFEDSA-N 1 1 315.461 3.916 20 30 DHEDMO CC[C@@H](C)C[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000111253861 333328369 /nfs/dbraw/zinc/32/83/69/333328369.db2.gz DLQOMDMVKMMNGV-OAHLLOKOSA-N 1 1 315.461 3.528 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000188471554 333367614 /nfs/dbraw/zinc/36/76/14/333367614.db2.gz MJCPWTXLHDZCGS-PXNSSMCTSA-N 1 1 314.473 3.712 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000188478805 333368105 /nfs/dbraw/zinc/36/81/05/333368105.db2.gz SMSPOEJVEAJYJV-APWZRJJASA-N 1 1 302.462 3.616 20 30 DHEDMO COCCSc1ccc([C@H](C)[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000112543566 333465324 /nfs/dbraw/zinc/46/53/24/333465324.db2.gz TWBLNCOVJJTWJZ-GJZGRUSLSA-N 1 1 317.458 3.519 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000411165040 333639051 /nfs/dbraw/zinc/63/90/51/333639051.db2.gz NPYDOTZVCNFAGF-CABCVRRESA-N 1 1 312.413 3.673 20 30 DHEDMO C=C(C)[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000297318385 335152838 /nfs/dbraw/zinc/15/28/38/335152838.db2.gz CDNKJYYZKWGPNG-SFHVURJKSA-N 1 1 306.400 3.798 20 30 DHEDMO CN(CCC#N)c1ccc(CNc2ccc3c(c2)[nH+]cn3C)cc1 ZINC000269491884 334001860 /nfs/dbraw/zinc/00/18/60/334001860.db2.gz SXIZFDTZROZBGY-UHFFFAOYSA-N 1 1 319.412 3.535 20 30 DHEDMO COc1ccc(C[N@H+]2CC(C)(C)C[C@H]2C)cc1OCCCC#N ZINC000414524143 334006808 /nfs/dbraw/zinc/00/68/08/334006808.db2.gz JKXNXVDFMMGAAJ-OAHLLOKOSA-N 1 1 316.445 3.998 20 30 DHEDMO COc1cc(C)nc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000270347021 334011965 /nfs/dbraw/zinc/01/19/65/334011965.db2.gz VQKOCDAVJVROPJ-UHFFFAOYSA-N 1 1 309.413 3.681 20 30 DHEDMO CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000271439991 334023303 /nfs/dbraw/zinc/02/33/03/334023303.db2.gz BRWJIISAMCOENM-KGLIPLIRSA-N 1 1 317.458 3.504 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000272023552 334029725 /nfs/dbraw/zinc/02/97/25/334029725.db2.gz NMVINFDNWGMEPU-JKSUJKDBSA-N 1 1 304.434 3.888 20 30 DHEDMO Cc1ccnc(NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1C#N ZINC000343522131 335174471 /nfs/dbraw/zinc/17/44/71/335174471.db2.gz WMFVOQKCGXVKGD-UHFFFAOYSA-N 1 1 320.440 3.511 20 30 DHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000276254891 334075402 /nfs/dbraw/zinc/07/54/02/334075402.db2.gz NYKHOTKDGFSOGM-AWEZNQCLSA-N 1 1 312.335 3.752 20 30 DHEDMO C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000278501226 334097159 /nfs/dbraw/zinc/09/71/59/334097159.db2.gz AGOOQNDFMMESSV-VQTJNVASSA-N 1 1 311.473 3.523 20 30 DHEDMO C[N@@H+](Cc1cc(Br)ccc1F)[C@@H]1CC[C@H](C#N)C1 ZINC000278727382 334100482 /nfs/dbraw/zinc/10/04/82/334100482.db2.gz VNJIHIGPZDKIMY-GXFFZTMASA-N 1 1 311.198 3.712 20 30 DHEDMO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CCCC(C)(C)C#N ZINC000279145265 334106009 /nfs/dbraw/zinc/10/60/09/334106009.db2.gz XZLCSHYLOGTBRX-IRXDYDNUSA-N 1 1 314.429 3.695 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1nc(C(F)(F)F)cs1 ZINC000279605329 334110593 /nfs/dbraw/zinc/11/05/93/334110593.db2.gz WUMRSNBGCGQSCS-LPEHRKFASA-N 1 1 303.353 3.895 20 30 DHEDMO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)cc1OC ZINC000343607841 335176741 /nfs/dbraw/zinc/17/67/41/335176741.db2.gz MPADQHJQACJBMD-CYBMUJFWSA-N 1 1 314.385 3.799 20 30 DHEDMO N#CC1(CCC[N@H+]2CCC[C@@H]2c2ccsc2)CCOCC1 ZINC000282005361 334130411 /nfs/dbraw/zinc/13/04/11/334130411.db2.gz NWHFBIPYUABAIP-MRXNPFEDSA-N 1 1 304.459 3.986 20 30 DHEDMO N#CC1(CCC[N@H+]2CCC[C@@H]2c2cccs2)CCOCC1 ZINC000282043595 334130736 /nfs/dbraw/zinc/13/07/36/334130736.db2.gz RCRKYGDJQXCSLD-OAHLLOKOSA-N 1 1 304.459 3.986 20 30 DHEDMO C=C[C@@H](CC(=O)Nc1c[nH+]ccc1-n1cccn1)c1ccccc1 ZINC000340161346 334139295 /nfs/dbraw/zinc/13/92/95/334139295.db2.gz YXBWIQSGKDDPDU-HNNXBMFYSA-N 1 1 318.380 3.566 20 30 DHEDMO CC[C@](C)(C#N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000284950097 334144976 /nfs/dbraw/zinc/14/49/76/334144976.db2.gz BUTAKXCZXYMJGX-DNVCBOLYSA-N 1 1 313.445 3.797 20 30 DHEDMO C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000285380798 334147452 /nfs/dbraw/zinc/14/74/52/334147452.db2.gz BKSFUUZJZOOGBT-WMZOPIPTSA-N 1 1 311.473 3.546 20 30 DHEDMO C[C@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000285380798 334147454 /nfs/dbraw/zinc/14/74/54/334147454.db2.gz BKSFUUZJZOOGBT-WMZOPIPTSA-N 1 1 311.473 3.546 20 30 DHEDMO COc1cc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c(F)cn1 ZINC000287902783 334158772 /nfs/dbraw/zinc/15/87/72/334158772.db2.gz ZSNIPXPSCHPLFD-SUMWQHHRSA-N 1 1 313.376 3.925 20 30 DHEDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293522611 334198739 /nfs/dbraw/zinc/19/87/39/334198739.db2.gz IRKXFERAHAERQP-ZIAGYGMSSA-N 1 1 312.335 3.752 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)cc1C#N ZINC000295094324 334218431 /nfs/dbraw/zinc/21/84/31/334218431.db2.gz UFFNZRKVJHDHHW-FZMZJTMJSA-N 1 1 312.335 3.730 20 30 DHEDMO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000295123170 334219089 /nfs/dbraw/zinc/21/90/89/334219089.db2.gz WWZYGWDGXBIQAZ-XEYPJELSSA-N 1 1 311.473 3.569 20 30 DHEDMO N#CCCCC[N@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000295285784 334221701 /nfs/dbraw/zinc/22/17/01/334221701.db2.gz DIQWPIPDMJJJCK-UHFFFAOYSA-N 1 1 311.198 3.640 20 30 DHEDMO N#CCCCC[N@@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000295285784 334221704 /nfs/dbraw/zinc/22/17/04/334221704.db2.gz DIQWPIPDMJJJCK-UHFFFAOYSA-N 1 1 311.198 3.640 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000187727912 334269882 /nfs/dbraw/zinc/26/98/82/334269882.db2.gz DKJJYWVGEZELEU-FOIQADDNSA-N 1 1 304.393 3.751 20 30 DHEDMO CC1(C)COCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000110985529 334298988 /nfs/dbraw/zinc/29/89/88/334298988.db2.gz PRNFBESZXNYBGB-UHFFFAOYSA-N 1 1 306.409 3.836 20 30 DHEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000303840882 334334506 /nfs/dbraw/zinc/33/45/06/334334506.db2.gz BOKUCZDBTSXQBU-LJQANCHMSA-N 1 1 308.425 3.890 20 30 DHEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CCOc1ccccc1C#N ZINC000303904495 334342208 /nfs/dbraw/zinc/34/22/08/334342208.db2.gz LXAGAQPKJPIYNF-LJQANCHMSA-N 1 1 308.425 3.890 20 30 DHEDMO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCc1ccncc1 ZINC000121527659 334354163 /nfs/dbraw/zinc/35/41/63/334354163.db2.gz DCKYGQGLMLGTDU-UHFFFAOYSA-N 1 1 318.342 3.626 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3ncccc3C(F)(F)F)CC2)c1 ZINC000341969571 334498391 /nfs/dbraw/zinc/49/83/91/334498391.db2.gz MXKZBJBHLOPLPM-UHFFFAOYSA-N 1 1 317.314 3.751 20 30 DHEDMO CCc1nc(N2CC=C(c3ccc(C#N)cc3)CC2)cc(C)[nH+]1 ZINC000342554924 334549779 /nfs/dbraw/zinc/54/97/79/334549779.db2.gz YSQAFOVSJTVRGH-UHFFFAOYSA-N 1 1 304.397 3.513 20 30 DHEDMO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000342784580 334570772 /nfs/dbraw/zinc/57/07/72/334570772.db2.gz QRXYZWXNLLQGMM-CRAIPNDOSA-N 1 1 308.429 3.778 20 30 DHEDMO COCC1(C#N)CC[NH+](Cc2cnc(C3CCCC3)s2)CC1 ZINC000342844186 334581879 /nfs/dbraw/zinc/58/18/79/334581879.db2.gz TUZSXHOYPMRJLA-UHFFFAOYSA-N 1 1 319.474 3.553 20 30 DHEDMO C=CCN(Cc1cc(OC)cc(C)[nH+]1)Cc1ccccc1F ZINC000535290311 334711814 /nfs/dbraw/zinc/71/18/14/334711814.db2.gz RUYWFQUTUJQIRI-UHFFFAOYSA-N 1 1 300.377 3.726 20 30 DHEDMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000343701374 335189096 /nfs/dbraw/zinc/18/90/96/335189096.db2.gz XBGINXSOXAKWJP-UHFFFAOYSA-N 1 1 308.425 3.526 20 30 DHEDMO N#CC1(CCC[N@H+]2CCC[C@]3(CC=CCC3)C2)CCOCC1 ZINC000366849967 335203288 /nfs/dbraw/zinc/20/32/88/335203288.db2.gz KBRYDNNKKGHXCO-LJQANCHMSA-N 1 1 302.462 3.909 20 30 DHEDMO C[C@H]([NH2+][C@H]1COc2ccc(F)cc21)c1ccc(C#N)c(F)c1 ZINC000344140164 335220947 /nfs/dbraw/zinc/22/09/47/335220947.db2.gz VRTPWROCLSLAOY-QFYYESIMSA-N 1 1 300.308 3.621 20 30 DHEDMO C[C@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000346093000 335374268 /nfs/dbraw/zinc/37/42/68/335374268.db2.gz ZTFOATRZEUVCLE-CABCVRRESA-N 1 1 303.425 3.612 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H]2CCCOc3c(F)cccc32)c(F)c1 ZINC000350312329 335743712 /nfs/dbraw/zinc/74/37/12/335743712.db2.gz PDVFEXAVAUSJKW-KRWDZBQOSA-N 1 1 314.335 3.840 20 30 DHEDMO Cn1cc(C[NH2+][C@H]2CCC[C@@H]2C#N)c(-c2ccccc2Cl)n1 ZINC000350456531 335754855 /nfs/dbraw/zinc/75/48/55/335754855.db2.gz GXWIORGOZNEFKP-WBMJQRKESA-N 1 1 314.820 3.522 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000351024884 336005473 /nfs/dbraw/zinc/00/54/73/336005473.db2.gz FTWANJIXMTUGRF-MRXNPFEDSA-N 1 1 314.429 3.825 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000351024884 336005474 /nfs/dbraw/zinc/00/54/74/336005474.db2.gz FTWANJIXMTUGRF-MRXNPFEDSA-N 1 1 314.429 3.825 20 30 DHEDMO C=C(C)C[N@H+](C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000351095430 336013514 /nfs/dbraw/zinc/01/35/14/336013514.db2.gz DZFZPIIGULBGGJ-GOSISDBHSA-N 1 1 306.258 3.609 20 30 DHEDMO C=C(C)C[N@@H+](C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000351095430 336013515 /nfs/dbraw/zinc/01/35/15/336013515.db2.gz DZFZPIIGULBGGJ-GOSISDBHSA-N 1 1 306.258 3.609 20 30 DHEDMO O=C(CC[N@H+]1CCC[C@H](C2CC2)C1)Nc1ccc2c(c1)OCO2 ZINC000329652296 336028719 /nfs/dbraw/zinc/02/87/19/336028719.db2.gz LAPSEBOINMQSDW-AWEZNQCLSA-N 1 1 316.401 3.515 20 30 DHEDMO O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000329687258 336045136 /nfs/dbraw/zinc/04/51/36/336045136.db2.gz FUUFABSWDSBPHL-OUAUKWLOSA-N 1 1 315.339 3.592 20 30 DHEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1coc(C2CCCC2)n1 ZINC000329938408 336097434 /nfs/dbraw/zinc/09/74/34/336097434.db2.gz AHXDCWBYHZPKPS-ZIAGYGMSSA-N 1 1 319.449 3.757 20 30 DHEDMO N#Cc1ccc(C2(C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)CC2)cc1 ZINC000329962596 336100452 /nfs/dbraw/zinc/10/04/52/336100452.db2.gz SFAWWBQLCKBUAO-GOSISDBHSA-N 1 1 323.440 3.563 20 30 DHEDMO CC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c1C ZINC000330270973 336131835 /nfs/dbraw/zinc/13/18/35/336131835.db2.gz VDCRXLXGPONOMX-INIZCTEOSA-N 1 1 301.390 3.818 20 30 DHEDMO CC(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)c1C ZINC000330270973 336131836 /nfs/dbraw/zinc/13/18/36/336131836.db2.gz VDCRXLXGPONOMX-INIZCTEOSA-N 1 1 301.390 3.818 20 30 DHEDMO O=C(Nc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)c1)C1CC1 ZINC000330272009 336132073 /nfs/dbraw/zinc/13/20/73/336132073.db2.gz WYEUPNXKHHYSSC-INIZCTEOSA-N 1 1 313.401 3.899 20 30 DHEDMO C[C@H](C1CC1)n1cc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cn1 ZINC000330324262 336158313 /nfs/dbraw/zinc/15/83/13/336158313.db2.gz UAVUDRDYHADVAQ-CXAGYDPISA-N 1 1 316.449 3.849 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000330348271 336173549 /nfs/dbraw/zinc/17/35/49/336173549.db2.gz IOGCHYWYRWJUOR-CQSZACIVSA-N 1 1 304.438 3.627 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC4(CCCC4)C3)o2)cc1 ZINC000333694928 336208168 /nfs/dbraw/zinc/20/81/68/336208168.db2.gz JOSHPQDOTLSQDN-UHFFFAOYSA-N 1 1 322.412 3.764 20 30 DHEDMO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc(CC#N)cc1)C2 ZINC000352433747 336218360 /nfs/dbraw/zinc/21/83/60/336218360.db2.gz XAIVWZPSCKTTSU-UHFFFAOYSA-N 1 1 318.420 3.809 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(F)cc(F)c1 ZINC000352800141 336238531 /nfs/dbraw/zinc/23/85/31/336238531.db2.gz OLHMIFQJGZRTKV-UHFFFAOYSA-N 1 1 307.340 3.628 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(F)cc(F)c1 ZINC000352800141 336238532 /nfs/dbraw/zinc/23/85/32/336238532.db2.gz OLHMIFQJGZRTKV-UHFFFAOYSA-N 1 1 307.340 3.628 20 30 DHEDMO C[C@H](C[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000532519816 336253394 /nfs/dbraw/zinc/25/33/94/336253394.db2.gz XJVSQXVQFOARCX-MRXNPFEDSA-N 1 1 321.424 3.622 20 30 DHEDMO C[C@@H](C[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000532519815 336253521 /nfs/dbraw/zinc/25/35/21/336253521.db2.gz XJVSQXVQFOARCX-INIZCTEOSA-N 1 1 321.424 3.622 20 30 DHEDMO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352830240 336268039 /nfs/dbraw/zinc/26/80/39/336268039.db2.gz CLPQXFYBPQSIKE-BMIGLBTASA-N 1 1 321.833 3.534 20 30 DHEDMO N#Cc1csc(C[NH2+][C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000352838909 336273904 /nfs/dbraw/zinc/27/39/04/336273904.db2.gz HBWMDBKVPNXJPT-INIZCTEOSA-N 1 1 301.390 3.785 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2cccc(C#N)n2)cc1 ZINC000301267452 336297694 /nfs/dbraw/zinc/29/76/94/336297694.db2.gz IGWDWBOSKYLYSB-MRXNPFEDSA-N 1 1 320.440 3.940 20 30 DHEDMO C[C@H]1CCC[N@H+](C(C)(C)CNc2ccc(Cl)c(C#N)n2)C1 ZINC000301503496 336310999 /nfs/dbraw/zinc/31/09/99/336310999.db2.gz FYCNPZWBGVWLMT-LBPRGKRZSA-N 1 1 306.841 3.529 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNc3ccc(C#N)nc3)cc2)C1 ZINC000301529968 336312771 /nfs/dbraw/zinc/31/27/71/336312771.db2.gz RLDHPAXDPYAEPG-INIZCTEOSA-N 1 1 320.440 3.797 20 30 DHEDMO C[C@H](CNc1ccc2cc(C#N)ccc2n1)[N@H+]1CCC[C@@H](C)C1 ZINC000301975724 336340892 /nfs/dbraw/zinc/34/08/92/336340892.db2.gz LWKXPFMNGCDRGY-HUUCEWRRSA-N 1 1 308.429 3.639 20 30 DHEDMO CC(=O)c1ccc(C#N)c(NCCC[N@H+](C)C2CCCCC2)c1 ZINC000302103713 336348612 /nfs/dbraw/zinc/34/86/12/336348612.db2.gz MJMOVJAMRSOHTA-UHFFFAOYSA-N 1 1 313.445 3.827 20 30 DHEDMO CC(=O)c1ccc(C#N)cc1NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000302125937 336349803 /nfs/dbraw/zinc/34/98/03/336349803.db2.gz WFRAWTVAWFGXHJ-OAHLLOKOSA-N 1 1 321.424 3.693 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1F ZINC000352894366 336365453 /nfs/dbraw/zinc/36/54/53/336365453.db2.gz SMVUYQUOWNACGN-INIZCTEOSA-N 1 1 324.355 3.763 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1F ZINC000352894366 336365454 /nfs/dbraw/zinc/36/54/54/336365454.db2.gz SMVUYQUOWNACGN-INIZCTEOSA-N 1 1 324.355 3.763 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCC(C)(C)O1 ZINC000352901253 336375376 /nfs/dbraw/zinc/37/53/76/336375376.db2.gz JCYJSYOOTMBAKS-KRWDZBQOSA-N 1 1 305.466 3.800 20 30 DHEDMO COCCCC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000352903367 336375515 /nfs/dbraw/zinc/37/55/15/336375515.db2.gz SGBAVQORJHVGLI-INIZCTEOSA-N 1 1 315.442 3.662 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)CCC(C)C ZINC000352921878 336377227 /nfs/dbraw/zinc/37/72/27/336377227.db2.gz LYWOHSOWSSALRN-SFHVURJKSA-N 1 1 307.482 3.639 20 30 DHEDMO C[N@@H+](CCCNc1ccc(Cl)c(C#N)n1)Cc1ccccc1 ZINC000110084804 336395788 /nfs/dbraw/zinc/39/57/88/336395788.db2.gz XRBHUYFKUZQMAL-UHFFFAOYSA-N 1 1 314.820 3.541 20 30 DHEDMO C#CCOc1ccc(C[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000116374365 336402336 /nfs/dbraw/zinc/40/23/36/336402336.db2.gz JMNQEMHJQZQZJM-UHFFFAOYSA-N 1 1 312.438 3.714 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(F)(c3cccnc3)CC2)cc1F ZINC000375360264 337009101 /nfs/dbraw/zinc/00/91/01/337009101.db2.gz HRWYUGBXCGKIHV-UHFFFAOYSA-N 1 1 313.351 3.553 20 30 DHEDMO N#CC1(CCC[N@H+]2Cc3ccccc3C3(CC3)C2)CCOCC1 ZINC000375610146 337014484 /nfs/dbraw/zinc/01/44/84/337014484.db2.gz FDDMNJXTHXXETA-UHFFFAOYSA-N 1 1 310.441 3.634 20 30 DHEDMO CN(Cc1ccccc1C(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375753312 337018758 /nfs/dbraw/zinc/01/87/58/337018758.db2.gz JTSPJAUKIOXAPM-JWTNVVGKSA-N 1 1 311.473 3.545 20 30 DHEDMO CN(Cc1ccccc1C(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375753312 337018759 /nfs/dbraw/zinc/01/87/59/337018759.db2.gz JTSPJAUKIOXAPM-JWTNVVGKSA-N 1 1 311.473 3.545 20 30 DHEDMO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccccc1C(C)(C)C#N)C2 ZINC000375753312 337018760 /nfs/dbraw/zinc/01/87/60/337018760.db2.gz JTSPJAUKIOXAPM-JWTNVVGKSA-N 1 1 311.473 3.545 20 30 DHEDMO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccccc1C(C)(C)C#N)C2 ZINC000375753312 337018761 /nfs/dbraw/zinc/01/87/61/337018761.db2.gz JTSPJAUKIOXAPM-JWTNVVGKSA-N 1 1 311.473 3.545 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000122807517 337026468 /nfs/dbraw/zinc/02/64/68/337026468.db2.gz PLCIAFGYPFALMX-UHFFFAOYSA-N 1 1 307.353 3.631 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000376389765 337032449 /nfs/dbraw/zinc/03/24/49/337032449.db2.gz YOFLMKXTPORZPV-HZPDHXFCSA-N 1 1 318.465 3.708 20 30 DHEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1nccn1-c1ccccc1 ZINC000376644632 337038926 /nfs/dbraw/zinc/03/89/26/337038926.db2.gz IQQAOJNNAUOIRS-OAHLLOKOSA-N 1 1 302.381 3.595 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1nccn1-c1ccccc1 ZINC000377408205 337052284 /nfs/dbraw/zinc/05/22/84/337052284.db2.gz PIYQPFIGZIBKKT-CYBMUJFWSA-N 1 1 308.410 3.656 20 30 DHEDMO C#Cc1ccc(C[NH2+][C@H](C)c2nccn2-c2ccccc2)cc1 ZINC000377867629 337063074 /nfs/dbraw/zinc/06/30/74/337063074.db2.gz AENMEKQMKDVXIJ-MRXNPFEDSA-N 1 1 301.393 3.704 20 30 DHEDMO C[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000378515179 337075012 /nfs/dbraw/zinc/07/50/12/337075012.db2.gz FXHWLNLYEQABJS-ZLGUVYLKSA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@H](NC[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000378515179 337075013 /nfs/dbraw/zinc/07/50/13/337075013.db2.gz FXHWLNLYEQABJS-ZLGUVYLKSA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@H](NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000378515179 337075014 /nfs/dbraw/zinc/07/50/14/337075014.db2.gz FXHWLNLYEQABJS-ZLGUVYLKSA-N 1 1 319.452 3.902 20 30 DHEDMO CC[N@H+](Cc1nc(-c2ccoc2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000170938975 337085434 /nfs/dbraw/zinc/08/54/34/337085434.db2.gz CMJXGHIQTKWQBL-ZDUSSCGKSA-N 1 1 322.368 3.784 20 30 DHEDMO CC[N@@H+](Cc1nc(-c2ccoc2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000170938975 337085435 /nfs/dbraw/zinc/08/54/35/337085435.db2.gz CMJXGHIQTKWQBL-ZDUSSCGKSA-N 1 1 322.368 3.784 20 30 DHEDMO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000172080683 337089723 /nfs/dbraw/zinc/08/97/23/337089723.db2.gz XFFVQQMDYGPTKR-UHFFFAOYSA-N 1 1 322.408 3.514 20 30 DHEDMO N#CCSCCC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000177721157 337158731 /nfs/dbraw/zinc/15/87/31/337158731.db2.gz RSQMIAAJMZDVIT-UHFFFAOYSA-N 1 1 312.438 3.952 20 30 DHEDMO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1cn(-c2ccccc2)nn1 ZINC000178053851 337160138 /nfs/dbraw/zinc/16/01/38/337160138.db2.gz QWBVQLMRBYYIRQ-HUUCEWRRSA-N 1 1 317.396 3.551 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2cccn2C)cc1 ZINC000179706072 337169076 /nfs/dbraw/zinc/16/90/76/337169076.db2.gz KWVMUEWWDRVWFV-DNVCBOLYSA-N 1 1 309.413 3.653 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000180609722 337176645 /nfs/dbraw/zinc/17/66/45/337176645.db2.gz UJORQVZNALTVQS-LPHOPBHVSA-N 1 1 311.429 3.531 20 30 DHEDMO C=C1CC[NH+](CC(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000583100347 337240634 /nfs/dbraw/zinc/24/06/34/337240634.db2.gz MQZQTCRQAHFEPA-INIZCTEOSA-N 1 1 308.425 3.669 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000185660978 337249870 /nfs/dbraw/zinc/24/98/70/337249870.db2.gz BQMGYPCUYJNHBP-ZOBUZTSGSA-N 1 1 320.502 3.850 20 30 DHEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000187576581 337267086 /nfs/dbraw/zinc/26/70/86/337267086.db2.gz JQNXDIJZRPDZMY-NVXWUHKLSA-N 1 1 316.445 3.998 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccc(N(C)CC)nc1 ZINC000191325564 337295879 /nfs/dbraw/zinc/29/58/79/337295879.db2.gz VPXCWXSMWBBVKU-UHFFFAOYSA-N 1 1 302.466 3.690 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(N(C)CC)nc1 ZINC000191325564 337295880 /nfs/dbraw/zinc/29/58/80/337295880.db2.gz VPXCWXSMWBBVKU-UHFFFAOYSA-N 1 1 302.466 3.690 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000583303778 337312361 /nfs/dbraw/zinc/31/23/61/337312361.db2.gz QSTHZUQKAIIPEO-ZDUSSCGKSA-N 1 1 308.447 3.731 20 30 DHEDMO CCC[N@@H+](CC)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000532927366 337393192 /nfs/dbraw/zinc/39/31/92/337393192.db2.gz CWEPTXOFAQRICG-UHFFFAOYSA-N 1 1 319.474 3.559 20 30 DHEDMO Cc1c(Cl)c(C[NH2+][C@H](CCCC#N)c2ccccc2)nn1C ZINC000421378610 337529034 /nfs/dbraw/zinc/52/90/34/337529034.db2.gz HKZBIOLVQISUQR-OAHLLOKOSA-N 1 1 316.836 3.907 20 30 DHEDMO C=CCn1cc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)nn1 ZINC000424294281 337816638 /nfs/dbraw/zinc/81/66/38/337816638.db2.gz KFIOBVFPTHUSKN-GOSISDBHSA-N 1 1 314.408 3.624 20 30 DHEDMO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000515910270 338001024 /nfs/dbraw/zinc/00/10/24/338001024.db2.gz JJMAUFJDVMTRME-WMZOPIPTSA-N 1 1 320.436 3.818 20 30 DHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000426458364 338032833 /nfs/dbraw/zinc/03/28/33/338032833.db2.gz JHCJFHHASODFPF-HOCLYGCPSA-N 1 1 309.331 3.811 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]32)c(Br)c1 ZINC000426522516 338034017 /nfs/dbraw/zinc/03/40/17/338034017.db2.gz KHFNEPRYEUJXBO-SWLSCSKDSA-N 1 1 305.219 3.695 20 30 DHEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(-n2cccn2)c1 ZINC000428335108 338047735 /nfs/dbraw/zinc/04/77/35/338047735.db2.gz XGAUUWGDLHLNRG-CQSZACIVSA-N 1 1 320.371 3.734 20 30 DHEDMO CCCc1nc(C)c(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000428346270 338048174 /nfs/dbraw/zinc/04/81/74/338048174.db2.gz FAGYRSBJEVDWPE-UHFFFAOYSA-N 1 1 309.413 3.972 20 30 DHEDMO CCCc1nc(C)c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000428346270 338048175 /nfs/dbraw/zinc/04/81/75/338048175.db2.gz FAGYRSBJEVDWPE-UHFFFAOYSA-N 1 1 309.413 3.972 20 30 DHEDMO N#CCCn1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c(-c2ccccc2)n1 ZINC000428462726 338053268 /nfs/dbraw/zinc/05/32/68/338053268.db2.gz LYYVAYLTXAWFKX-LPHOPBHVSA-N 1 1 320.440 3.838 20 30 DHEDMO CCCn1cc[nH+]c1CCCN(C)c1cc(Cl)ccc1C#N ZINC000428666319 338058111 /nfs/dbraw/zinc/05/81/11/338058111.db2.gz QLFYCQPDAWFDNE-UHFFFAOYSA-N 1 1 316.836 3.887 20 30 DHEDMO C=CCCCCC[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000428777090 338060912 /nfs/dbraw/zinc/06/09/12/338060912.db2.gz DCGIXVPXRQZUOD-UHFFFAOYSA-N 1 1 304.409 3.635 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000428960026 338066709 /nfs/dbraw/zinc/06/67/09/338066709.db2.gz ZNSGCCYHEDUKGU-LZQZEXGQSA-N 1 1 316.420 3.603 20 30 DHEDMO C=CC[N@@H+](CCC#N)C[C@H](C)c1cccc(Br)c1 ZINC000430100821 338096604 /nfs/dbraw/zinc/09/66/04/338096604.db2.gz GXYAHEGIHRFLJL-ZDUSSCGKSA-N 1 1 307.235 3.954 20 30 DHEDMO C=CC[N@H+](CCC#N)C[C@H](C)c1cccc(Br)c1 ZINC000430100821 338096605 /nfs/dbraw/zinc/09/66/05/338096605.db2.gz GXYAHEGIHRFLJL-ZDUSSCGKSA-N 1 1 307.235 3.954 20 30 DHEDMO C/C(=C/c1ccccc1)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430183336 338100104 /nfs/dbraw/zinc/10/01/04/338100104.db2.gz AKANXRMBVXRALA-JVCXIRSZSA-N 1 1 319.408 3.510 20 30 DHEDMO C[N@H+](CC#Cc1cccc(Cl)c1)Cc1ccc2c(c1)OCO2 ZINC000448524645 338154520 /nfs/dbraw/zinc/15/45/20/338154520.db2.gz KCLNPLACZUDKQD-UHFFFAOYSA-N 1 1 313.784 3.552 20 30 DHEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccc2c(c1)OCO2 ZINC000448524645 338154521 /nfs/dbraw/zinc/15/45/21/338154521.db2.gz KCLNPLACZUDKQD-UHFFFAOYSA-N 1 1 313.784 3.552 20 30 DHEDMO C[N@H+](CCOc1ccc(Cl)cc1Cl)CC(C)(C)C#N ZINC000433307546 338190821 /nfs/dbraw/zinc/19/08/21/338190821.db2.gz VTMAACNZQUVWAX-UHFFFAOYSA-N 1 1 301.217 3.854 20 30 DHEDMO C[N@@H+](CCOc1ccc(Cl)cc1Cl)CC(C)(C)C#N ZINC000433307546 338190822 /nfs/dbraw/zinc/19/08/22/338190822.db2.gz VTMAACNZQUVWAX-UHFFFAOYSA-N 1 1 301.217 3.854 20 30 DHEDMO C=CCC[C@H](NC(=O)NCC[N@H+](C)[C@H](C)CC)c1ccccc1 ZINC000435095956 338232118 /nfs/dbraw/zinc/23/21/18/338232118.db2.gz KAENSUDTZXOXDK-AEFFLSMTSA-N 1 1 317.477 3.723 20 30 DHEDMO CCC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccc(C#N)cc1 ZINC000435138943 338233111 /nfs/dbraw/zinc/23/31/11/338233111.db2.gz VCDNGTUYGUBVDG-UHFFFAOYSA-N 1 1 320.396 3.954 20 30 DHEDMO C=C(C)[C@@H]1OCC[C@H]1CNc1c(C)c[nH+]c2c(OC)cccc12 ZINC000435593403 338243066 /nfs/dbraw/zinc/24/30/66/338243066.db2.gz QGZQRAIPAZREGP-LIRRHRJNSA-N 1 1 312.413 3.945 20 30 DHEDMO C=CC[N@H+](C)Cc1cn(C(C)(C)C)nc1-c1cccc(OC)c1 ZINC000154793470 338252794 /nfs/dbraw/zinc/25/27/94/338252794.db2.gz VORPFQPKNMGKFF-UHFFFAOYSA-N 1 1 313.445 3.932 20 30 DHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2c(C#N)cccc2C#N)C1 ZINC000436317715 338268913 /nfs/dbraw/zinc/26/89/13/338268913.db2.gz NFHYXSKRFZUKBR-DNVCBOLYSA-N 1 1 316.408 3.677 20 30 DHEDMO CCS[C@H]1CCCC[N@@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000437365404 338308022 /nfs/dbraw/zinc/30/80/22/338308022.db2.gz QQMLVUZENNLLAO-INIZCTEOSA-N 1 1 304.459 3.674 20 30 DHEDMO C[N@H+](CCC(F)(F)F)Cc1ccc(C#N)cc1OC(F)F ZINC000437402209 338309004 /nfs/dbraw/zinc/30/90/04/338309004.db2.gz FRAQDVYAQMRXKL-UHFFFAOYSA-N 1 1 308.250 3.544 20 30 DHEDMO C[N@@H+](CCC(F)(F)F)Cc1ccc(C#N)cc1OC(F)F ZINC000437402209 338309005 /nfs/dbraw/zinc/30/90/05/338309005.db2.gz FRAQDVYAQMRXKL-UHFFFAOYSA-N 1 1 308.250 3.544 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000438062559 338329486 /nfs/dbraw/zinc/32/94/86/338329486.db2.gz WTUVDDKWYCSZAR-SFHVURJKSA-N 1 1 306.409 3.631 20 30 DHEDMO Cn1cc(C[N@H+]2CCCCC(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000438350356 338340817 /nfs/dbraw/zinc/34/08/17/338340817.db2.gz TZQSRBJZYDRTHK-UHFFFAOYSA-N 1 1 322.456 3.971 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CC)C1 ZINC000438481203 338345409 /nfs/dbraw/zinc/34/54/09/338345409.db2.gz COPPHWRTBAPVNS-AWEZNQCLSA-N 1 1 304.459 3.635 20 30 DHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2Cl)C12CCC2 ZINC000439430208 338369059 /nfs/dbraw/zinc/36/90/59/338369059.db2.gz KWPZGAAEPOSTLO-SJORKVTESA-N 1 1 318.848 3.991 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000439435091 338369250 /nfs/dbraw/zinc/36/92/50/338369250.db2.gz DIFBOHXYJRFFJS-LLVKDONJSA-N 1 1 315.760 3.971 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c(Cl)c1 ZINC000439446705 338369743 /nfs/dbraw/zinc/36/97/43/338369743.db2.gz FGRPZZPCNRULMU-KRWDZBQOSA-N 1 1 311.816 3.898 20 30 DHEDMO CCc1ccc([C@H](CO)[NH2+]Cc2ccc(C#N)cc2Cl)cc1 ZINC000439455734 338370058 /nfs/dbraw/zinc/37/00/58/338370058.db2.gz VWQGOAWPZFJAGW-SFHVURJKSA-N 1 1 314.816 3.597 20 30 DHEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440912657 338399808 /nfs/dbraw/zinc/39/98/08/338399808.db2.gz IYZKZHUUIWIKHI-INIZCTEOSA-N 1 1 312.413 3.593 20 30 DHEDMO C[NH+](C)Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1Br ZINC000442875547 338437274 /nfs/dbraw/zinc/43/72/74/338437274.db2.gz OZJSADOJPMHILG-WCQYABFASA-N 1 1 322.250 3.615 20 30 DHEDMO N#CC1CC[NH+](Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449019839 338584321 /nfs/dbraw/zinc/58/43/21/338584321.db2.gz SYNMOWCZOSLRFR-UHFFFAOYSA-N 1 1 319.380 3.824 20 30 DHEDMO CC(C)(C#N)C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449237081 338605229 /nfs/dbraw/zinc/60/52/29/338605229.db2.gz AIVRUGQBVRRZTF-GFCCVEGCSA-N 1 1 311.198 3.715 20 30 DHEDMO C=C(C)CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000458531330 339000342 /nfs/dbraw/zinc/00/03/42/339000342.db2.gz MTQKZLIKMZRBAU-AWEZNQCLSA-N 1 1 312.417 3.507 20 30 DHEDMO CC[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000459306066 339020483 /nfs/dbraw/zinc/02/04/83/339020483.db2.gz PTOLJDZCCIBRLA-ZDUSSCGKSA-N 1 1 322.412 3.514 20 30 DHEDMO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)[C@H]1Sc1ccccc1 ZINC000459472142 339031294 /nfs/dbraw/zinc/03/12/94/339031294.db2.gz ABHRNTHFPKTPMY-SOVHRIKKSA-N 1 1 316.470 3.607 20 30 DHEDMO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1nc2c(s1)CCC2 ZINC000459629169 339039237 /nfs/dbraw/zinc/03/92/37/339039237.db2.gz DEHURABUAPLRKA-GFCCVEGCSA-N 1 1 316.857 3.988 20 30 DHEDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000461367340 339062471 /nfs/dbraw/zinc/06/24/71/339062471.db2.gz BVRAUIDYDCMSHC-LJQANCHMSA-N 1 1 305.425 3.659 20 30 DHEDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000462077575 339072007 /nfs/dbraw/zinc/07/20/07/339072007.db2.gz XNIDLGCCBWOCMR-MRXNPFEDSA-N 1 1 311.454 3.721 20 30 DHEDMO N#Cc1ccc(Cl)cc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462930041 339098239 /nfs/dbraw/zinc/09/82/39/339098239.db2.gz AURYBZZILCFQRT-INIZCTEOSA-N 1 1 303.837 3.888 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC12CCCCC2 ZINC000463054640 339103242 /nfs/dbraw/zinc/10/32/42/339103242.db2.gz MEEUDGXAEBGWJQ-MRXNPFEDSA-N 1 1 322.456 3.998 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOc1cccc(F)c1 ZINC000464821569 339155273 /nfs/dbraw/zinc/15/52/73/339155273.db2.gz IAANDQVAMSLMGQ-VQTJNVASSA-N 1 1 324.399 3.976 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOc1cccc(F)c1 ZINC000464821569 339155274 /nfs/dbraw/zinc/15/52/74/339155274.db2.gz IAANDQVAMSLMGQ-VQTJNVASSA-N 1 1 324.399 3.976 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000466317212 339199471 /nfs/dbraw/zinc/19/94/71/339199471.db2.gz KGEJXPAUOBDMPK-IEBWSBKVSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000466538185 339208744 /nfs/dbraw/zinc/20/87/44/339208744.db2.gz ASRGHOZCRDXASS-QZTJIDSGSA-N 1 1 318.436 3.651 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000466538185 339208745 /nfs/dbraw/zinc/20/87/45/339208745.db2.gz ASRGHOZCRDXASS-QZTJIDSGSA-N 1 1 318.436 3.651 20 30 DHEDMO COCC[C@@H]1CCCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000467274833 339229743 /nfs/dbraw/zinc/22/97/43/339229743.db2.gz JBZOZYDUNFVAEZ-INIZCTEOSA-N 1 1 305.849 3.830 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000467293155 339230212 /nfs/dbraw/zinc/23/02/12/339230212.db2.gz INDCNBZNQARAHD-NSHDSACASA-N 1 1 315.244 3.679 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000467297754 339230236 /nfs/dbraw/zinc/23/02/36/339230236.db2.gz QXRAFYYRYHNOIM-HXUWFJFHSA-N 1 1 322.452 3.595 20 30 DHEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000467305078 339230690 /nfs/dbraw/zinc/23/06/90/339230690.db2.gz RBPFAIDPAAJTEO-JTQLQIEISA-N 1 1 301.217 3.828 20 30 DHEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000467329865 339231832 /nfs/dbraw/zinc/23/18/32/339231832.db2.gz DYWFYMRGDNOMHM-APWZRJJASA-N 1 1 312.457 3.707 20 30 DHEDMO C=CCC[N@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000467368913 339234551 /nfs/dbraw/zinc/23/45/51/339234551.db2.gz IQUHPSXYKGXVLD-UHFFFAOYSA-N 1 1 308.219 3.733 20 30 DHEDMO C=C[C@](C)(CC)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000467890160 339248733 /nfs/dbraw/zinc/24/87/33/339248733.db2.gz OOVCWDHWXSQEIK-UXHICEINSA-N 1 1 314.473 3.760 20 30 DHEDMO C=C[C@@H](CC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC000468480248 339263701 /nfs/dbraw/zinc/26/37/01/339263701.db2.gz UCFLCIATPUUSAG-WMZOPIPTSA-N 1 1 314.473 3.583 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000468879712 339273470 /nfs/dbraw/zinc/27/34/70/339273470.db2.gz HFROFAWVJGUPDJ-IBGZPJMESA-N 1 1 310.372 3.741 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000468879712 339273471 /nfs/dbraw/zinc/27/34/71/339273471.db2.gz HFROFAWVJGUPDJ-IBGZPJMESA-N 1 1 310.372 3.741 20 30 DHEDMO CCc1cccc(C[N@@H+](CCOC)Cc2ccc(C#N)cc2)c1 ZINC000469579027 339293634 /nfs/dbraw/zinc/29/36/34/339293634.db2.gz RHHFWESLMURJEI-UHFFFAOYSA-N 1 1 308.425 3.769 20 30 DHEDMO C=C(C)CN(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000470641980 339323904 /nfs/dbraw/zinc/32/39/04/339323904.db2.gz OJNUHPDGCHHKLA-UHFFFAOYSA-N 1 1 322.452 3.723 20 30 DHEDMO C=C(C)CN(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccccc1 ZINC000470641980 339323905 /nfs/dbraw/zinc/32/39/05/339323905.db2.gz OJNUHPDGCHHKLA-UHFFFAOYSA-N 1 1 322.452 3.723 20 30 DHEDMO C=CCOCCC[N@H+](CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000470778194 339327539 /nfs/dbraw/zinc/32/75/39/339327539.db2.gz CNNXEEGJUROPKN-ICSRJNTNSA-N 1 1 316.489 3.737 20 30 DHEDMO C=CCOCCCN(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000470778194 339327540 /nfs/dbraw/zinc/32/75/40/339327540.db2.gz CNNXEEGJUROPKN-ICSRJNTNSA-N 1 1 316.489 3.737 20 30 DHEDMO C=CCOCCCN(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000470778194 339327541 /nfs/dbraw/zinc/32/75/41/339327541.db2.gz CNNXEEGJUROPKN-ICSRJNTNSA-N 1 1 316.489 3.737 20 30 DHEDMO CO[C@@]1(C)CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000470909184 339330550 /nfs/dbraw/zinc/33/05/50/339330550.db2.gz ONZNIQVIEXBEIJ-INIZCTEOSA-N 1 1 311.347 3.558 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)NC)cc1 ZINC000470921675 339331203 /nfs/dbraw/zinc/33/12/03/339331203.db2.gz WUPMBAVOBTWJRI-UHFFFAOYSA-N 1 1 308.425 3.625 20 30 DHEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000470941673 339331806 /nfs/dbraw/zinc/33/18/06/339331806.db2.gz XVPGKROAOIWHAN-SKDRFNHKSA-N 1 1 302.727 3.984 20 30 DHEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000470941673 339331807 /nfs/dbraw/zinc/33/18/07/339331807.db2.gz XVPGKROAOIWHAN-SKDRFNHKSA-N 1 1 302.727 3.984 20 30 DHEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000470960686 339332997 /nfs/dbraw/zinc/33/29/97/339332997.db2.gz TXHMGSAOBLWLEZ-FZMZJTMJSA-N 1 1 301.739 3.964 20 30 DHEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000470960686 339332998 /nfs/dbraw/zinc/33/29/98/339332998.db2.gz TXHMGSAOBLWLEZ-FZMZJTMJSA-N 1 1 301.739 3.964 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([NH2+][C@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000471889098 339356836 /nfs/dbraw/zinc/35/68/36/339356836.db2.gz NAZOQPCJZFUZBV-LZQZEXGQSA-N 1 1 319.408 3.648 20 30 DHEDMO CC[N@@H+](CCCC(C)(C)C#N)[C@H](COC)Cc1ccccc1 ZINC000472356558 339370913 /nfs/dbraw/zinc/37/09/13/339370913.db2.gz SPZUTWFWOUJDQO-SFHVURJKSA-N 1 1 302.462 3.896 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000472652909 339375820 /nfs/dbraw/zinc/37/58/20/339375820.db2.gz KAMXASWIONGTFH-LJQANCHMSA-N 1 1 315.457 3.693 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000472743336 339376710 /nfs/dbraw/zinc/37/67/10/339376710.db2.gz BAJOVKQTEAVRCQ-MRXNPFEDSA-N 1 1 324.262 3.741 20 30 DHEDMO C=C(C)[C@H](Nc1[nH+]cnc2[nH]ccc21)c1ccc(F)c(F)c1 ZINC000475730874 339460755 /nfs/dbraw/zinc/46/07/55/339460755.db2.gz SNOJTEJLISSLKR-AWEZNQCLSA-N 1 1 300.312 3.965 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)NCCC(C)C)c1ccc(F)c(F)c1 ZINC000481594413 339607392 /nfs/dbraw/zinc/60/73/92/339607392.db2.gz GJUKPWZSKVUNNO-DYVFJYSZSA-N 1 1 324.415 3.722 20 30 DHEDMO CCC[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1nnc2ccccn21 ZINC000488311908 339776513 /nfs/dbraw/zinc/77/65/13/339776513.db2.gz UEFJYGHMRSZOOF-KRWDZBQOSA-N 1 1 319.412 3.540 20 30 DHEDMO CN(CCC[N@@H+](C)CC(C)(C)CCC#N)C(=O)OC(C)(C)C ZINC000496979546 340017437 /nfs/dbraw/zinc/01/74/37/340017437.db2.gz VPMCQUYNNIHSPO-UHFFFAOYSA-N 1 1 311.470 3.505 20 30 DHEDMO C=CCOc1cccc(CNCC[N@@H+]2CCCC[C@@H]2CC)c1 ZINC000500887295 340069284 /nfs/dbraw/zinc/06/92/84/340069284.db2.gz HZDNADNPCUOTPP-SFHVURJKSA-N 1 1 302.462 3.606 20 30 DHEDMO C=CCOc1cccc(C[NH2+]CCN2CCCC[C@@H]2CC)c1 ZINC000500887295 340069285 /nfs/dbraw/zinc/06/92/85/340069285.db2.gz HZDNADNPCUOTPP-SFHVURJKSA-N 1 1 302.462 3.606 20 30 DHEDMO Cc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)ccc1Br ZINC000501028390 340072539 /nfs/dbraw/zinc/07/25/39/340072539.db2.gz JIVUVUKINYMXHQ-NSHDSACASA-N 1 1 307.235 3.882 20 30 DHEDMO Cc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)ccc1Br ZINC000501028390 340072540 /nfs/dbraw/zinc/07/25/40/340072540.db2.gz JIVUVUKINYMXHQ-NSHDSACASA-N 1 1 307.235 3.882 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000501207933 340076253 /nfs/dbraw/zinc/07/62/53/340076253.db2.gz VXTDPMJFXVNPDZ-IBGZPJMESA-N 1 1 306.409 3.556 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000501378965 340079490 /nfs/dbraw/zinc/07/94/90/340079490.db2.gz ZDSZUFJBAJIUCB-CQSZACIVSA-N 1 1 308.853 3.585 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000501378965 340079491 /nfs/dbraw/zinc/07/94/91/340079491.db2.gz ZDSZUFJBAJIUCB-CQSZACIVSA-N 1 1 308.853 3.585 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000502451323 340104089 /nfs/dbraw/zinc/10/40/89/340104089.db2.gz SDUWEWYHDJQTGO-KSZLIROESA-N 1 1 314.473 3.853 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000502451323 340104090 /nfs/dbraw/zinc/10/40/90/340104090.db2.gz SDUWEWYHDJQTGO-KSZLIROESA-N 1 1 314.473 3.853 20 30 DHEDMO CCC[N@@H+](CCCCC#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502932214 340116967 /nfs/dbraw/zinc/11/69/67/340116967.db2.gz UYYGVTLGZZJKAO-MRXNPFEDSA-N 1 1 301.434 3.810 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000505016732 340158966 /nfs/dbraw/zinc/15/89/66/340158966.db2.gz LMCFWDNVAUNHAR-GOSISDBHSA-N 1 1 315.461 3.609 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c1F ZINC000505812664 340178694 /nfs/dbraw/zinc/17/86/94/340178694.db2.gz OQNFWYQFTKIATC-OAHLLOKOSA-N 1 1 310.372 3.598 20 30 DHEDMO CC(C)c1ccc(C[NH+]2CCN(Cc3ccc(C#N)o3)CC2)cc1 ZINC000506126499 340186239 /nfs/dbraw/zinc/18/62/39/340186239.db2.gz SQSCZYCZSQMPDJ-UHFFFAOYSA-N 1 1 323.440 3.592 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)Cc2ccc(F)cc2)cc(OC)c1O ZINC000506751776 340201008 /nfs/dbraw/zinc/20/10/08/340201008.db2.gz JMNBJLBTDBYXQJ-UHFFFAOYSA-N 1 1 315.388 3.900 20 30 DHEDMO N#Cc1ccccc1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000506794678 340202034 /nfs/dbraw/zinc/20/20/34/340202034.db2.gz LNBGJNGAZBJWEO-UHFFFAOYSA-N 1 1 319.452 3.703 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)o1)Cc1cccc(Br)c1 ZINC000507169912 340210862 /nfs/dbraw/zinc/21/08/62/340210862.db2.gz KWBXHHXCIRDTHK-UHFFFAOYSA-N 1 1 319.202 3.936 20 30 DHEDMO C=CC[N@@H+](CCC(=O)c1ccc(OC)cc1)CCc1ccco1 ZINC000508978668 340256840 /nfs/dbraw/zinc/25/68/40/340256840.db2.gz PEZFQFICTOROGQ-UHFFFAOYSA-N 1 1 313.397 3.592 20 30 DHEDMO CCOC1CC(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)C1 ZINC000509294211 340265459 /nfs/dbraw/zinc/26/54/59/340265459.db2.gz MTORZFNYGXMZFZ-UHFFFAOYSA-N 1 1 300.446 3.831 20 30 DHEDMO N#Cc1ccc(CN2CCC[N@@H+](CC3CCCCC3)CC2)s1 ZINC000510167918 340291386 /nfs/dbraw/zinc/29/13/86/340291386.db2.gz FZOXNWVYGQIAPS-UHFFFAOYSA-N 1 1 317.502 3.708 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@H]1c1ccccc1OC ZINC000510228126 340293283 /nfs/dbraw/zinc/29/32/83/340293283.db2.gz KVJGPCDQTHKFKA-BQFCYCMXSA-N 1 1 303.446 3.795 20 30 DHEDMO CSc1ccccc1C[N@@H+](C)CCOc1ccccc1C#N ZINC000511101331 340320804 /nfs/dbraw/zinc/32/08/04/340320804.db2.gz LVWMRBKSPFJDIG-UHFFFAOYSA-N 1 1 312.438 3.791 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)CCc1ccccc1[N+](=O)[O-] ZINC000511146803 340322449 /nfs/dbraw/zinc/32/24/49/340322449.db2.gz YYOJTODBHTWEPX-UHFFFAOYSA-N 1 1 303.406 3.789 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1ccccc1)CC1CCCCC1 ZINC000303423951 340325082 /nfs/dbraw/zinc/32/50/82/340325082.db2.gz BKSTXCSCPJDADI-QGZVFWFLSA-N 1 1 314.473 3.932 20 30 DHEDMO C=CCN(CC1CCCCC1)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000303424985 340325119 /nfs/dbraw/zinc/32/51/19/340325119.db2.gz BNZWYCDDOKBFLO-SFHVURJKSA-N 1 1 321.509 3.639 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc(OC)c1O ZINC000511859892 340340811 /nfs/dbraw/zinc/34/08/11/340340811.db2.gz QDBYTJGRJJNUEU-RDJZCZTQSA-N 1 1 301.430 3.894 20 30 DHEDMO C=C(C)C[N@H+](CCc1ccccc1CC)Cc1ccc(CO)o1 ZINC000512153892 340350194 /nfs/dbraw/zinc/35/01/94/340350194.db2.gz WFPCCYFDWJLKED-UHFFFAOYSA-N 1 1 313.441 3.955 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(F)ccc1C ZINC000512183085 340351277 /nfs/dbraw/zinc/35/12/77/340351277.db2.gz UPLIGMADJGVNIL-UHFFFAOYSA-N 1 1 303.377 3.798 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(F)ccc1C ZINC000512183085 340351278 /nfs/dbraw/zinc/35/12/78/340351278.db2.gz UPLIGMADJGVNIL-UHFFFAOYSA-N 1 1 303.377 3.798 20 30 DHEDMO C=C(C)C[N@@H+](CCCc1cccc(F)c1)Cc1ccc(CO)o1 ZINC000512487444 340363716 /nfs/dbraw/zinc/36/37/16/340363716.db2.gz UYGFFKPYNMRKAE-UHFFFAOYSA-N 1 1 317.404 3.922 20 30 DHEDMO C[C@H]([NH2+]CCN1[C@@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512666196 340371844 /nfs/dbraw/zinc/37/18/44/340371844.db2.gz JFCKDTJZWSOXEA-KKUMJFAQSA-N 1 1 303.425 3.611 20 30 DHEDMO CC[N@@H+](CCOc1ccccc1C#N)[C@H](C)c1cccc(O)c1 ZINC000174619759 340393231 /nfs/dbraw/zinc/39/32/31/340393231.db2.gz XCRKIIOUXOUDTI-OAHLLOKOSA-N 1 1 310.397 3.726 20 30 DHEDMO CC(C)c1[nH+]ccn1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000182854231 340485583 /nfs/dbraw/zinc/48/55/83/340485583.db2.gz XKCBNDVXZSNAEN-UHFFFAOYSA-N 1 1 308.303 3.957 20 30 DHEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000528661484 340728501 /nfs/dbraw/zinc/72/85/01/340728501.db2.gz SWHPWLKGJOGVCG-LJQANCHMSA-N 1 1 307.397 3.593 20 30 DHEDMO CCc1ccc([C@H](COC)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000539608504 340892300 /nfs/dbraw/zinc/89/23/00/340892300.db2.gz OPGAWSQPAGJRHH-SJCJKPOMSA-N 1 1 316.376 3.891 20 30 DHEDMO COCC[N@@H+](CCCc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000543131449 341033378 /nfs/dbraw/zinc/03/33/78/341033378.db2.gz NICBGRBFSUDTKO-UHFFFAOYSA-N 1 1 322.452 3.834 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OC(F)F)c(F)c1 ZINC000130746882 341040479 /nfs/dbraw/zinc/04/04/79/341040479.db2.gz JMOZVURXTFKPQJ-UHFFFAOYSA-N 1 1 320.314 3.931 20 30 DHEDMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(CC#N)CC1 ZINC000543810429 341060069 /nfs/dbraw/zinc/06/00/69/341060069.db2.gz WJOZSCLUHFBYFX-CYBMUJFWSA-N 1 1 319.836 3.601 20 30 DHEDMO C=CCCC[N@H+](C)Cc1cnc2c(C)cc(Br)cn12 ZINC000544347939 341077289 /nfs/dbraw/zinc/07/72/89/341077289.db2.gz CMYUIPVBGCUEIB-UHFFFAOYSA-N 1 1 322.250 3.803 20 30 DHEDMO CCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000544490873 341084216 /nfs/dbraw/zinc/08/42/16/341084216.db2.gz DESAKPVVIHDRLG-CQSZACIVSA-N 1 1 319.474 3.830 20 30 DHEDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000544490873 341084217 /nfs/dbraw/zinc/08/42/17/341084217.db2.gz DESAKPVVIHDRLG-CQSZACIVSA-N 1 1 319.474 3.830 20 30 DHEDMO Cc1ccccc1NC(=O)CC[N@@H+](CCC#N)CC(C)(C)C ZINC000072630697 341094598 /nfs/dbraw/zinc/09/45/98/341094598.db2.gz ZFZNETIIEWNOFV-UHFFFAOYSA-N 1 1 301.434 3.585 20 30 DHEDMO CCC[C@H]1[C@H](C)CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000072775002 341105277 /nfs/dbraw/zinc/10/52/77/341105277.db2.gz RMMKVFIMEFJSQE-QAPCUYQASA-N 1 1 313.445 3.787 20 30 DHEDMO CCC[C@]1(C)CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072896133 341110206 /nfs/dbraw/zinc/11/02/06/341110206.db2.gz ZKFLTCBDJWHYDB-LJQANCHMSA-N 1 1 313.445 3.789 20 30 DHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCCSCC#N)C12CCCCC2 ZINC000074991522 341159100 /nfs/dbraw/zinc/15/91/00/341159100.db2.gz FRKKOMKLDMYWIB-JKSUJKDBSA-N 1 1 310.507 3.693 20 30 DHEDMO Fc1ccccc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000237826090 341221544 /nfs/dbraw/zinc/22/15/44/341221544.db2.gz YPCHQEIJLZESRO-UHFFFAOYSA-N 1 1 307.290 3.986 20 30 DHEDMO COc1c(Br)cccc1C[NH+]1CCC(CC#N)CC1 ZINC000547849195 341237564 /nfs/dbraw/zinc/23/75/64/341237564.db2.gz QWDSVNSLVDUDDE-UHFFFAOYSA-N 1 1 323.234 3.583 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000078624374 341245204 /nfs/dbraw/zinc/24/52/04/341245204.db2.gz IWMCRVPWEDAVMA-HUUCEWRRSA-N 1 1 306.475 3.698 20 30 DHEDMO C=CCOCCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000548751836 341272182 /nfs/dbraw/zinc/27/21/82/341272182.db2.gz BYFTZXNUUCTHCL-GOSISDBHSA-N 1 1 313.445 3.693 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000548809346 341276533 /nfs/dbraw/zinc/27/65/33/341276533.db2.gz LPYVHYNYYATISS-MRXNPFEDSA-N 1 1 315.461 3.657 20 30 DHEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245415862 341292218 /nfs/dbraw/zinc/29/22/18/341292218.db2.gz DQOJNZAKIGAMKA-MGPUTAFESA-N 1 1 319.408 3.580 20 30 DHEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245415861 341292342 /nfs/dbraw/zinc/29/23/42/341292342.db2.gz DQOJNZAKIGAMKA-FOIQADDNSA-N 1 1 319.408 3.580 20 30 DHEDMO COC(=O)c1cccc(C[N@@H+](CC(C)C)C2CCCC2)c1C#N ZINC000550316070 341315042 /nfs/dbraw/zinc/31/50/42/341315042.db2.gz QXWGURFJIBLLCJ-UHFFFAOYSA-N 1 1 314.429 3.745 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc(CC#N)cc1 ZINC000248433755 341377701 /nfs/dbraw/zinc/37/77/01/341377701.db2.gz XWACWTBJZVPSJV-OXQOHEQNSA-N 1 1 305.425 3.685 20 30 DHEDMO C=C(C)[C@H](N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000248586482 341380622 /nfs/dbraw/zinc/38/06/22/341380622.db2.gz XVLHPZUKINKVHH-YEWDVWPNSA-N 1 1 306.400 3.797 20 30 DHEDMO C=C(C)[C@H](N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000248586482 341380623 /nfs/dbraw/zinc/38/06/23/341380623.db2.gz XVLHPZUKINKVHH-YEWDVWPNSA-N 1 1 306.400 3.797 20 30 DHEDMO COc1ccc(C[C@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)cc1 ZINC000552272372 341382673 /nfs/dbraw/zinc/38/26/73/341382673.db2.gz MKIQVYZFTVQBSK-MRXNPFEDSA-N 1 1 310.397 3.615 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000249272280 341395648 /nfs/dbraw/zinc/39/56/48/341395648.db2.gz KUVIIMAXIKHODZ-JXFKEZNVSA-N 1 1 306.409 3.563 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000249272280 341395649 /nfs/dbraw/zinc/39/56/49/341395649.db2.gz KUVIIMAXIKHODZ-JXFKEZNVSA-N 1 1 306.409 3.563 20 30 DHEDMO N#CCCC1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000564915705 341513304 /nfs/dbraw/zinc/51/33/04/341513304.db2.gz AQJKRQIZQKZBGL-UHFFFAOYSA-N 1 1 301.415 3.919 20 30 DHEDMO CC(C)Cn1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000183040790 519501344 /nfs/dbraw/zinc/50/13/44/519501344.db2.gz ZHUGVNXVKXVRDG-UHFFFAOYSA-N 1 1 308.429 3.575 20 30 DHEDMO CC(C)Cn1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000183040790 519501348 /nfs/dbraw/zinc/50/13/48/519501348.db2.gz ZHUGVNXVKXVRDG-UHFFFAOYSA-N 1 1 308.429 3.575 20 30 DHEDMO CC(C)c1[nH+]ccn1Cc1cc(C#N)ccc1Br ZINC000191689552 519880100 /nfs/dbraw/zinc/88/01/00/519880100.db2.gz RRCIJTPSKUMNSW-UHFFFAOYSA-N 1 1 304.191 3.689 20 30 DHEDMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000127235698 524852571 /nfs/dbraw/zinc/85/25/71/524852571.db2.gz NLZPJAXPCUTDNH-PMACEKPBSA-N 1 1 306.409 3.737 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1ccncc1F ZINC000338366794 525436742 /nfs/dbraw/zinc/43/67/42/525436742.db2.gz IYIVYYGGCKSLBM-JTQLQIEISA-N 1 1 321.302 3.545 20 30 DHEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1cccc(N2CCCC2=O)c1 ZINC000161035286 525462740 /nfs/dbraw/zinc/46/27/40/525462740.db2.gz CNGOQGOVNXKMHZ-HNNXBMFYSA-N 1 1 319.408 3.536 20 30 DHEDMO C[C@H]([NH2+]Cc1ccncc1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000366293567 525470758 /nfs/dbraw/zinc/47/07/58/525470758.db2.gz USEGFFSQURABQQ-ZDUSSCGKSA-N 1 1 320.421 3.928 20 30 DHEDMO C[C@@H](Nc1ncc(C#N)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182816742 525728409 /nfs/dbraw/zinc/72/84/09/525728409.db2.gz DUWGWRFJMAINFO-TZMCWYRMSA-N 1 1 318.852 3.672 20 30 DHEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000180285241 526068353 /nfs/dbraw/zinc/06/83/53/526068353.db2.gz FFTNBSZHZWWSBI-XUSGNXJCSA-N 1 1 318.467 3.550 20 30 DHEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000180285241 526068355 /nfs/dbraw/zinc/06/83/55/526068355.db2.gz FFTNBSZHZWWSBI-XUSGNXJCSA-N 1 1 318.467 3.550 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000191670920 526552684 /nfs/dbraw/zinc/55/26/84/526552684.db2.gz CPSDXQYLAFEWSR-UHFFFAOYSA-N 1 1 311.816 3.986 20 30 DHEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(Cc2ccccn2)CC1 ZINC000369095845 526559379 /nfs/dbraw/zinc/55/93/79/526559379.db2.gz NFGDTSKEWVLHPL-UHFFFAOYSA-N 1 1 309.388 3.547 20 30 DHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC2(C1)CCCCC2 ZINC000364856083 526769185 /nfs/dbraw/zinc/76/91/85/526769185.db2.gz TZHHWMSIDMCJTE-UHFFFAOYSA-N 1 1 317.458 3.605 20 30 DHEDMO Cc1nc([C@H]2CCC[N@@H+]2CCOc2ccccc2C#N)cs1 ZINC000189845588 527080730 /nfs/dbraw/zinc/08/07/30/527080730.db2.gz VOUIHBLYBVFUPU-MRXNPFEDSA-N 1 1 313.426 3.539 20 30 DHEDMO Cc1nc([C@H]2CCC[N@H+]2CCOc2ccccc2C#N)cs1 ZINC000189845588 527080738 /nfs/dbraw/zinc/08/07/38/527080738.db2.gz VOUIHBLYBVFUPU-MRXNPFEDSA-N 1 1 313.426 3.539 20 30 DHEDMO CN(c1ccc(C#N)c(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286331541 536487910 /nfs/dbraw/zinc/48/79/10/536487910.db2.gz KGRQNPWZDHOTEV-NNQSOWQGSA-N 1 1 323.362 3.638 20 30 DHEDMO C=CC[NH+]1CCN(c2cc(C)c3ccc(Cl)cc3n2)CC1 ZINC001165032169 721868768 /nfs/dbraw/zinc/86/87/68/721868768.db2.gz KLWCANYHSHIBNP-UHFFFAOYSA-N 1 1 301.821 3.505 20 30 DHEDMO C=CC[N@H+](CCCCCCC)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573342084 947537837 /nfs/dbraw/zinc/53/78/37/947537837.db2.gz SUFGGSFFZIISCU-UHFFFAOYSA-N 1 1 313.449 3.825 20 30 DHEDMO CC[N@@H+](CC1(Br)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000846778855 1032064324 /nfs/dbraw/zinc/06/43/24/1032064324.db2.gz CHSSYUXISJGVCQ-GFCCVEGCSA-N 1 1 307.235 3.869 20 30 DHEDMO C#CCCC[N@@H+]1CC[C@@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001209265636 1013138688 /nfs/dbraw/zinc/13/86/88/1013138688.db2.gz BTDZTJFYEHIXKL-OAHLLOKOSA-N 1 1 312.240 3.998 20 30 DHEDMO C#CCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001209266849 1013139120 /nfs/dbraw/zinc/13/91/20/1013139120.db2.gz DTNBUFHONOVSAF-YTQUADARSA-N 1 1 316.514 3.694 20 30 DHEDMO C#CCCC[N@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3cccs3)[C@H]2C1 ZINC001209266849 1013139129 /nfs/dbraw/zinc/13/91/29/1013139129.db2.gz DTNBUFHONOVSAF-YTQUADARSA-N 1 1 316.514 3.694 20 30 DHEDMO C#CCCC[N@@H+]1C[C@@H]2CCC[C@@H](N(C)Cc3cccs3)[C@H]2C1 ZINC001209266849 1013139135 /nfs/dbraw/zinc/13/91/35/1013139135.db2.gz DTNBUFHONOVSAF-YTQUADARSA-N 1 1 316.514 3.694 20 30 DHEDMO C=CC[N@H+](CCC(=O)c1ccccc1)Cc1ccc(OC)cc1 ZINC000537519509 1032067059 /nfs/dbraw/zinc/06/70/59/1032067059.db2.gz DSGCYZLPZVJGQK-UHFFFAOYSA-N 1 1 309.409 3.956 20 30 DHEDMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC1(C#N)CC1 ZINC000619535281 1013180830 /nfs/dbraw/zinc/18/08/30/1013180830.db2.gz KXWUCSWXURBSEW-UHFFFAOYSA-N 1 1 314.820 3.536 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000537526120 1032070759 /nfs/dbraw/zinc/07/07/59/1032070759.db2.gz SDAAFPUDGWSLQQ-LJQANCHMSA-N 1 1 312.457 3.879 20 30 DHEDMO N#CC1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCCCC1 ZINC001167964719 1013223882 /nfs/dbraw/zinc/22/38/82/1013223882.db2.gz WTJXWANDPCQCFO-AYHJJNSGSA-N 1 1 301.478 3.598 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3OC)C2)cc1 ZINC000120759801 1013275585 /nfs/dbraw/zinc/27/55/85/1013275585.db2.gz ZLBPENKZUBKNGA-KRWDZBQOSA-N 1 1 322.408 3.565 20 30 DHEDMO C=CCCCCCCC[N@@H+]1CC[C@H](Oc2ncncc2C)C1 ZINC001209442052 1013290836 /nfs/dbraw/zinc/29/08/36/1013290836.db2.gz OCNVWYFGWDITRC-KRWDZBQOSA-N 1 1 303.450 3.765 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(C#N)ccn1 ZINC000343160366 1013300122 /nfs/dbraw/zinc/30/01/22/1013300122.db2.gz WOMZUHXVUSFZEG-SFHVURJKSA-N 1 1 320.440 3.666 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1cc2sccc2s1 ZINC001626750845 1013384006 /nfs/dbraw/zinc/38/40/06/1013384006.db2.gz JFPDCNPOIIRWRB-UHFFFAOYSA-N 1 1 308.472 3.543 20 30 DHEDMO CCCCCCCCC[N@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC001167976203 1013450225 /nfs/dbraw/zinc/45/02/25/1013450225.db2.gz OFWCMPBOSWSDDY-SFHVURJKSA-N 1 1 302.462 3.822 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000164489789 1013455947 /nfs/dbraw/zinc/45/59/47/1013455947.db2.gz IAMHGWCGJKTJLE-UHFFFAOYSA-N 1 1 324.424 3.750 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000164489789 1013455955 /nfs/dbraw/zinc/45/59/55/1013455955.db2.gz IAMHGWCGJKTJLE-UHFFFAOYSA-N 1 1 324.424 3.750 20 30 DHEDMO CC(C)O[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000519651531 1013587802 /nfs/dbraw/zinc/58/78/02/1013587802.db2.gz BFKPBDDAKHHOSU-CQSZACIVSA-N 1 1 312.335 3.576 20 30 DHEDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000519651531 1013587810 /nfs/dbraw/zinc/58/78/10/1013587810.db2.gz BFKPBDDAKHHOSU-CQSZACIVSA-N 1 1 312.335 3.576 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2nc3ccccc3c(=O)[nH]2)CCCC1(C)C ZINC000683528238 1013589325 /nfs/dbraw/zinc/58/93/25/1013589325.db2.gz CHKUZGACFWLTHI-MRXNPFEDSA-N 1 1 311.429 3.902 20 30 DHEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000441035358 1013656964 /nfs/dbraw/zinc/65/69/64/1013656964.db2.gz CWIZDYJEBZMDTC-MGPUTAFESA-N 1 1 309.384 3.501 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H](CN2CCCC2)c2ccccc2)s1 ZINC000176944277 1013688151 /nfs/dbraw/zinc/68/81/51/1013688151.db2.gz RIMRXJQVNFMGBO-SFHVURJKSA-N 1 1 311.454 3.546 20 30 DHEDMO CC[C@H]1CCC[N@@H+](C(C)(C)CNCc2ccc(C#N)s2)C1 ZINC000176967597 1013691917 /nfs/dbraw/zinc/69/19/17/1013691917.db2.gz BHNLFVIFBNEMGI-AWEZNQCLSA-N 1 1 305.491 3.610 20 30 DHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNCc2ccc(C#N)s2)C1 ZINC000176967597 1013691921 /nfs/dbraw/zinc/69/19/21/1013691921.db2.gz BHNLFVIFBNEMGI-AWEZNQCLSA-N 1 1 305.491 3.610 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CCc1ccc2c(c1)CCO2 ZINC000441262644 1013700866 /nfs/dbraw/zinc/70/08/66/1013700866.db2.gz DDOJOMRCMFHOSB-UHFFFAOYSA-N 1 1 307.437 3.895 20 30 DHEDMO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1nccs1 ZINC000106250343 1032074057 /nfs/dbraw/zinc/07/40/57/1032074057.db2.gz KDYZMZOPAAJTBD-ZDUSSCGKSA-N 1 1 301.415 3.676 20 30 DHEDMO C=CCCC(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000102337360 1013759448 /nfs/dbraw/zinc/75/94/48/1013759448.db2.gz AFNVZRKXBAHSLG-WMZOPIPTSA-N 1 1 300.446 3.637 20 30 DHEDMO CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000328816820 1013797943 /nfs/dbraw/zinc/79/79/43/1013797943.db2.gz CYJZLMGXUOACIJ-ZDUSSCGKSA-N 1 1 319.449 3.765 20 30 DHEDMO C[N@@H+](CCNC(=O)c1cc(C(C)(C)C)on1)C1CCCCC1 ZINC000330896929 1013847537 /nfs/dbraw/zinc/84/75/37/1013847537.db2.gz LRENLDOVCQSUPI-UHFFFAOYSA-N 1 1 307.438 3.541 20 30 DHEDMO CC[C@@H](C)n1ncc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1C ZINC000330957426 1013849053 /nfs/dbraw/zinc/84/90/53/1013849053.db2.gz IFHRKOUFQWWUQB-CQSZACIVSA-N 1 1 320.481 3.589 20 30 DHEDMO CC[C@H](C)n1ncc(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1C ZINC000331068530 1013854929 /nfs/dbraw/zinc/85/49/29/1013854929.db2.gz AVFBBLBEISMGKR-ZNMIVQPWSA-N 1 1 320.481 3.588 20 30 DHEDMO CC1(C)C[N@H+](CC#Cc2ccc(Cl)cc2)[C@H]1[C@H]1CCCO1 ZINC000580009452 1013866646 /nfs/dbraw/zinc/86/66/46/1013866646.db2.gz GFVXFSCCPVFFPB-SJORKVTESA-N 1 1 303.833 3.581 20 30 DHEDMO CC1(C)C[N@@H+](CC#Cc2ccc(Cl)cc2)[C@H]1[C@H]1CCCO1 ZINC000580009452 1013866651 /nfs/dbraw/zinc/86/66/51/1013866651.db2.gz GFVXFSCCPVFFPB-SJORKVTESA-N 1 1 303.833 3.581 20 30 DHEDMO C[C@H](CC[NH2+]CC(C)(C)CCC#N)N(C)Cc1ccccc1 ZINC000080206524 1013909861 /nfs/dbraw/zinc/90/98/61/1013909861.db2.gz FQCPGKCWGCCVQG-QGZVFWFLSA-N 1 1 301.478 3.817 20 30 DHEDMO CC(=NNc1ccccc1F)c1ccc(OCC[NH+](C)C)cc1 ZINC000748133855 1013937838 /nfs/dbraw/zinc/93/78/38/1013937838.db2.gz RZIMPMVRDSLELD-UHFFFAOYSA-N 1 1 315.392 3.602 20 30 DHEDMO CC(C)COC[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccco1 ZINC000177693737 1013995169 /nfs/dbraw/zinc/99/51/69/1013995169.db2.gz WURXFEGFNYBNNT-OAHLLOKOSA-N 1 1 304.415 3.716 20 30 DHEDMO COc1cccc(C[N@@H+](CCCSCC#N)CC(C)C)c1 ZINC000610409683 1014076127 /nfs/dbraw/zinc/07/61/27/1014076127.db2.gz OHNIGTZSMVMDLB-UHFFFAOYSA-N 1 1 306.475 3.800 20 30 DHEDMO C[N@@H+](CCCSCC#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000610409649 1014077367 /nfs/dbraw/zinc/07/73/67/1014077367.db2.gz GQEHQCLDMNPPBV-QZTJIDSGSA-N 1 1 318.486 3.733 20 30 DHEDMO C[N@@H+](CCCSCC#N)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000610409650 1014077386 /nfs/dbraw/zinc/07/73/86/1014077386.db2.gz GQEHQCLDMNPPBV-ROUUACIJSA-N 1 1 318.486 3.733 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000175818470 1014156050 /nfs/dbraw/zinc/15/60/50/1014156050.db2.gz FNVSPGZYWLGFFI-DLBZAZTESA-N 1 1 312.438 3.708 20 30 DHEDMO CCC[N@@H+](CCCCn1ccnc1C)Cc1ccc(C#N)cc1 ZINC000119134568 1014161661 /nfs/dbraw/zinc/16/16/61/1014161661.db2.gz WVQINCPNYUVCAL-UHFFFAOYSA-N 1 1 310.445 3.756 20 30 DHEDMO C=CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000189943660 1014222728 /nfs/dbraw/zinc/22/27/28/1014222728.db2.gz BDPIEAKXBGTOOL-MJGOQNOKSA-N 1 1 314.473 3.537 20 30 DHEDMO CCC[N@@H+](Cc1cnc2c(C)cccn12)Cc1ccc(C#N)cc1 ZINC000119266729 1014278484 /nfs/dbraw/zinc/27/84/84/1014278484.db2.gz KUUNGQVPKCGHRG-UHFFFAOYSA-N 1 1 318.424 3.927 20 30 DHEDMO CCC[N@@H+](Cc1c(CC)nn(C)c1CC)Cc1ccc(C#N)cc1 ZINC000119280524 1014292936 /nfs/dbraw/zinc/29/29/36/1014292936.db2.gz GBBXRFXXZLTIBS-UHFFFAOYSA-N 1 1 324.472 3.829 20 30 DHEDMO CC(C)CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC#N ZINC000255771769 1014354404 /nfs/dbraw/zinc/35/44/04/1014354404.db2.gz LECLMZKCNPVNKA-YVMONPNESA-N 1 1 301.390 3.870 20 30 DHEDMO CC(C)CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC#N ZINC000255771769 1014354419 /nfs/dbraw/zinc/35/44/19/1014354419.db2.gz LECLMZKCNPVNKA-YVMONPNESA-N 1 1 301.390 3.870 20 30 DHEDMO CCCOc1ccc2c(c1)CC[N@@H+](Cc1cc(C#N)cs1)C2 ZINC000537708226 1014374195 /nfs/dbraw/zinc/37/41/95/1014374195.db2.gz XGROYZFTBMRGJD-UHFFFAOYSA-N 1 1 312.438 3.967 20 30 DHEDMO CCCOc1ccc2c(c1)CC[N@H+](Cc1cc(C#N)cs1)C2 ZINC000537708226 1014374204 /nfs/dbraw/zinc/37/42/04/1014374204.db2.gz XGROYZFTBMRGJD-UHFFFAOYSA-N 1 1 312.438 3.967 20 30 DHEDMO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)c(OC)c1 ZINC000177860512 1014437951 /nfs/dbraw/zinc/43/79/51/1014437951.db2.gz PEYOUCWYXYNNDC-LBPRGKRZSA-N 1 1 314.360 3.565 20 30 DHEDMO COc1cc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)ccc1OC(C)C ZINC000030533483 1014570418 /nfs/dbraw/zinc/57/04/18/1014570418.db2.gz YPAUKJRXTGZEHF-HUUCEWRRSA-N 1 1 315.417 3.577 20 30 DHEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)CCc1cccs1 ZINC000521190512 1014660392 /nfs/dbraw/zinc/66/03/92/1014660392.db2.gz DBNKAVKLGOSVDL-UHFFFAOYSA-N 1 1 300.427 3.563 20 30 DHEDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3C)C2)n1 ZINC000933125451 1014673037 /nfs/dbraw/zinc/67/30/37/1014673037.db2.gz HAPPANJVRBCJGY-INIZCTEOSA-N 1 1 311.454 3.696 20 30 DHEDMO Cc1cc2c(cc1Br)C[N@@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000933127730 1014675991 /nfs/dbraw/zinc/67/59/91/1014675991.db2.gz HZSKBSODCXGSOP-DOMZBBRYSA-N 1 1 319.246 3.808 20 30 DHEDMO Cc1cc2c(cc1Br)C[N@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000933127730 1014675998 /nfs/dbraw/zinc/67/59/98/1014675998.db2.gz HZSKBSODCXGSOP-DOMZBBRYSA-N 1 1 319.246 3.808 20 30 DHEDMO C=C1CC[NH+](CC(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000521252443 1014674974 /nfs/dbraw/zinc/67/49/74/1014674974.db2.gz KEVOCXHBDALDHS-MRXNPFEDSA-N 1 1 308.425 3.669 20 30 DHEDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442780714 1014730016 /nfs/dbraw/zinc/73/00/16/1014730016.db2.gz NITKIJIZNIZIEY-APWZRJJASA-N 1 1 323.440 3.693 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@H](C)c1ccccc1 ZINC000442798663 1014736575 /nfs/dbraw/zinc/73/65/75/1014736575.db2.gz JRWQHANJXSCKTC-MRXNPFEDSA-N 1 1 324.424 3.776 20 30 DHEDMO CC[N@@H+](CCOc1ccccc1C#N)Cc1c[nH]c2ccccc12 ZINC000442888517 1014763660 /nfs/dbraw/zinc/76/36/60/1014763660.db2.gz CFUYYZTURNFBQL-UHFFFAOYSA-N 1 1 319.408 3.940 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000442894190 1014764551 /nfs/dbraw/zinc/76/45/51/1014764551.db2.gz BNNIFYSQZGIUAS-DNVCBOLYSA-N 1 1 316.408 3.916 20 30 DHEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC001167458496 1014782127 /nfs/dbraw/zinc/78/21/27/1014782127.db2.gz VHZLPEXQUZQDTI-MAUKXSAKSA-N 1 1 313.445 3.787 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000442960110 1014778604 /nfs/dbraw/zinc/77/86/04/1014778604.db2.gz BEAMNERJIJHMSA-IBGZPJMESA-N 1 1 302.462 3.745 20 30 DHEDMO Cc1ccccc1[C@@H]([C@H](C)NCc1ccc(C#N)s1)[NH+](C)C ZINC000443002505 1014788600 /nfs/dbraw/zinc/78/86/00/1014788600.db2.gz SUPJEBQJDJHFQM-KBXCAEBGSA-N 1 1 313.470 3.709 20 30 DHEDMO C=CCOc1cccc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)c1 ZINC000443067038 1014797337 /nfs/dbraw/zinc/79/73/37/1014797337.db2.gz KUNXOCPXABTCSH-UHFFFAOYSA-N 1 1 311.429 3.797 20 30 DHEDMO C=CCOc1cccc(C[N@H+](C)Cc2cnc(C(C)C)nc2)c1 ZINC000443067038 1014797344 /nfs/dbraw/zinc/79/73/44/1014797344.db2.gz KUNXOCPXABTCSH-UHFFFAOYSA-N 1 1 311.429 3.797 20 30 DHEDMO COCC[N@@H+](CCC#N)CCCc1ccc(C(F)(F)F)cc1 ZINC000610504270 1014802125 /nfs/dbraw/zinc/80/21/25/1014802125.db2.gz YJXLLSCLAFUSOW-UHFFFAOYSA-N 1 1 314.351 3.500 20 30 DHEDMO COCC[N@H+](CCC#N)CCCc1ccc(C(F)(F)F)cc1 ZINC000610504270 1014802139 /nfs/dbraw/zinc/80/21/39/1014802139.db2.gz YJXLLSCLAFUSOW-UHFFFAOYSA-N 1 1 314.351 3.500 20 30 DHEDMO C#CCC1([NH2+]Cc2nc([C@@H](C)OCC(C)C)no2)CCCCC1 ZINC000933266852 1014805912 /nfs/dbraw/zinc/80/59/12/1014805912.db2.gz BBVQJKHROKOMQE-OAHLLOKOSA-N 1 1 319.449 3.619 20 30 DHEDMO C=CCC[N@H+](C)Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000276183102 1014810592 /nfs/dbraw/zinc/81/05/92/1014810592.db2.gz VKICTXKSECRXTD-UHFFFAOYSA-N 1 1 312.413 3.677 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c1 ZINC000521942132 1014843238 /nfs/dbraw/zinc/84/32/38/1014843238.db2.gz YEEFUBHWNXXRSZ-AEFFLSMTSA-N 1 1 303.446 3.767 20 30 DHEDMO CC[C@H](C(=O)Nc1ccccc1CC#N)[N@@H+](C)Cc1ccccc1 ZINC000581439014 1014861111 /nfs/dbraw/zinc/86/11/11/1014861111.db2.gz HGUOKGVLWDQKJE-LJQANCHMSA-N 1 1 321.424 3.602 20 30 DHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2OC)C1 ZINC000121091901 1014923835 /nfs/dbraw/zinc/92/38/35/1014923835.db2.gz WUNUCZVMFSQULC-CVEARBPZSA-N 1 1 304.459 3.673 20 30 DHEDMO COCc1c(C)cc(C)c(C[N@H+]2CCC[C@H](CC#N)C2)c1C ZINC000895228372 1014952915 /nfs/dbraw/zinc/95/29/15/1014952915.db2.gz LMWSUPPYVURZRN-QGZVFWFLSA-N 1 1 300.446 3.884 20 30 DHEDMO C=CCN(Cc1ccccc1)C(=O)CCn1cc[nH+]c1C(C)C ZINC000074215277 1015000175 /nfs/dbraw/zinc/00/01/75/1015000175.db2.gz ZTBKJDYSGUSNNJ-UHFFFAOYSA-N 1 1 311.429 3.611 20 30 DHEDMO COc1ccc(C[N@@H+](CCCSCC#N)[C@@H](C)C2CC2)cc1 ZINC000074982128 1015037998 /nfs/dbraw/zinc/03/79/98/1015037998.db2.gz XWOZLUNVVQQXNY-HNNXBMFYSA-N 1 1 318.486 3.943 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000276400651 1015088955 /nfs/dbraw/zinc/08/89/55/1015088955.db2.gz KKTVXUXDBNBMPS-INIZCTEOSA-N 1 1 315.461 3.754 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3c[nH]c4ncccc34)C2)c1 ZINC000931367042 1032110391 /nfs/dbraw/zinc/11/03/91/1032110391.db2.gz VPNQNGQGBGSGBK-QGZVFWFLSA-N 1 1 316.408 3.814 20 30 DHEDMO CC[C@H](C)C[N@@H+](CC)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878165577 1033605076 /nfs/dbraw/zinc/60/50/76/1033605076.db2.gz YMVSBFXRAZPJQT-QFBILLFUSA-N 1 1 300.446 3.795 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC)[C@H](C)c1cccc(O)c1 ZINC000121148362 1015192451 /nfs/dbraw/zinc/19/24/51/1015192451.db2.gz NTJZGGUAPPNWHT-CQSZACIVSA-N 1 1 310.397 3.856 20 30 DHEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)C(=O)OCC ZINC000895598717 1015220268 /nfs/dbraw/zinc/22/02/68/1015220268.db2.gz UPRLAUHEKYZYAB-NXHRZFHOSA-N 1 1 316.445 3.595 20 30 DHEDMO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051158810 1015214703 /nfs/dbraw/zinc/21/47/03/1015214703.db2.gz MDSLRIZRXUZMRC-RYUDHWBXSA-N 1 1 319.430 3.969 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000895835787 1015327027 /nfs/dbraw/zinc/32/70/27/1015327027.db2.gz PCTYUYXBFKFBCE-UHFFFAOYSA-N 1 1 317.326 3.748 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2cscc2C(F)(F)F)CC1 ZINC000895834233 1015327334 /nfs/dbraw/zinc/32/73/34/1015327334.db2.gz IBBJCLZFEYWPCD-UHFFFAOYSA-N 1 1 305.365 3.670 20 30 DHEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(N2CCCC2=O)cc1 ZINC000161036503 1015361160 /nfs/dbraw/zinc/36/11/60/1015361160.db2.gz OAPUXLGMGHEODG-HNNXBMFYSA-N 1 1 319.408 3.536 20 30 DHEDMO C=CCCn1cc(C[NH2+][C@H]2CCc3cccc4cccc2c43)nn1 ZINC000895933857 1015367113 /nfs/dbraw/zinc/36/71/13/1015367113.db2.gz GXSYFRMYHKQELO-IBGZPJMESA-N 1 1 318.424 3.785 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000051262294 1015395982 /nfs/dbraw/zinc/39/59/82/1015395982.db2.gz HGXQEIKCWKOFSP-INIZCTEOSA-N 1 1 309.381 3.748 20 30 DHEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c1 ZINC000754825195 1015474888 /nfs/dbraw/zinc/47/48/88/1015474888.db2.gz UXZRPILMZQBVEB-UHFFFAOYSA-N 1 1 324.277 3.728 20 30 DHEDMO C=CCCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000474685800 1015539780 /nfs/dbraw/zinc/53/97/80/1015539780.db2.gz HNTFCQJWAFTVPI-KRWDZBQOSA-N 1 1 318.436 3.510 20 30 DHEDMO N#Cc1ccc(Br)cc1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001141897276 1015621851 /nfs/dbraw/zinc/62/18/51/1015621851.db2.gz LYCGHOLXQMRORB-TZMCWYRMSA-N 1 1 319.246 3.943 20 30 DHEDMO N#Cc1ccc(Br)cc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001141897276 1015621859 /nfs/dbraw/zinc/62/18/59/1015621859.db2.gz LYCGHOLXQMRORB-TZMCWYRMSA-N 1 1 319.246 3.943 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncccc1C#N ZINC000337826675 1015623153 /nfs/dbraw/zinc/62/31/53/1015623153.db2.gz TWDXFUVSRWGCDA-SFHVURJKSA-N 1 1 320.440 3.666 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)c1 ZINC000896534065 1015625135 /nfs/dbraw/zinc/62/51/35/1015625135.db2.gz FPIWEZFEZIUVRH-GFCCVEGCSA-N 1 1 303.456 3.531 20 30 DHEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000329172213 1015652824 /nfs/dbraw/zinc/65/28/24/1015652824.db2.gz ACRDDLZCBFYUSY-WMLDXEAASA-N 1 1 316.445 3.643 20 30 DHEDMO C(#Cc1ccccc1)C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000361839545 1032122772 /nfs/dbraw/zinc/12/27/72/1032122772.db2.gz ZWSPMTZHPGXDDK-UHFFFAOYSA-N 1 1 313.404 3.704 20 30 DHEDMO C[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1cccc(C#N)c1 ZINC000610658763 1015694400 /nfs/dbraw/zinc/69/44/00/1015694400.db2.gz YOWFIGSRRXVFMS-CQSZACIVSA-N 1 1 302.381 3.799 20 30 DHEDMO Cc1nc(C2CC2)oc1C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000329444642 1015706408 /nfs/dbraw/zinc/70/64/08/1015706408.db2.gz BDSKYGCWUCWHER-AWEZNQCLSA-N 1 1 319.449 3.533 20 30 DHEDMO C=CC[N@H+](CCCOC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000610681368 1015708031 /nfs/dbraw/zinc/70/80/31/1015708031.db2.gz HNPYRIRJWPKHNI-UHFFFAOYSA-N 1 1 306.406 3.788 20 30 DHEDMO Cc1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)c2n[nH]cc21 ZINC000329469883 1015709659 /nfs/dbraw/zinc/70/96/59/1015709659.db2.gz YKWYEWXBTJVUSU-CYBMUJFWSA-N 1 1 300.406 3.724 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc4c(c3)CCC4)CCO2)c1 ZINC000341804287 1015742294 /nfs/dbraw/zinc/74/22/94/1015742294.db2.gz CAJLGJMYQBITAY-NRFANRHFSA-N 1 1 318.420 3.620 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)CCO2)c1 ZINC000341804287 1015742299 /nfs/dbraw/zinc/74/22/99/1015742299.db2.gz CAJLGJMYQBITAY-NRFANRHFSA-N 1 1 318.420 3.620 20 30 DHEDMO N#Cc1cccc(OCCC[N@@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000610786662 1015785956 /nfs/dbraw/zinc/78/59/56/1015785956.db2.gz AUGCBGWTUGSVMD-LJQANCHMSA-N 1 1 310.372 3.913 20 30 DHEDMO Cc1cc(C[N@@H+](Cc2ccccc2)CC2(CO)CC2)ccc1C#N ZINC000341969673 1015859528 /nfs/dbraw/zinc/85/95/28/1015859528.db2.gz NPBDWBMQHAZZLX-UHFFFAOYSA-N 1 1 320.436 3.641 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@H](c3nccs3)C2)ccc1F ZINC000119429378 1015882875 /nfs/dbraw/zinc/88/28/75/1015882875.db2.gz PHCDYIHQNOUSAF-ZDUSSCGKSA-N 1 1 301.390 3.533 20 30 DHEDMO C[N@H+](Cc1ccnc(C#N)c1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000610992282 1015996149 /nfs/dbraw/zinc/99/61/49/1015996149.db2.gz RHSUQTWTYQHYGX-ICSRJNTNSA-N 1 1 321.424 3.553 20 30 DHEDMO N#Cc1cc(C[N@@H+](CCc2ccccc2)C2CCCC2)ccn1 ZINC000610992373 1016000850 /nfs/dbraw/zinc/00/08/50/1016000850.db2.gz YVGXGVYWTHEDJO-UHFFFAOYSA-N 1 1 305.425 3.941 20 30 DHEDMO N#CCC1CCC([N@@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001173335765 1033692385 /nfs/dbraw/zinc/69/23/85/1033692385.db2.gz XPHVDUFFOMOWHG-XBMUEBEBSA-N 1 1 303.494 3.799 20 30 DHEDMO N#CCC1CCC([N@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001173335765 1033692393 /nfs/dbraw/zinc/69/23/93/1033692393.db2.gz XPHVDUFFOMOWHG-XBMUEBEBSA-N 1 1 303.494 3.799 20 30 DHEDMO C=C[C@@H]1C[C@@]1([NH2+][C@@H]1CCCC2(CCCCC2)C1)C(=O)OCC ZINC001173342179 1033697923 /nfs/dbraw/zinc/69/79/23/1033697923.db2.gz WHEUHMDOZZCBMH-MDZRGWNJSA-N 1 1 305.462 3.977 20 30 DHEDMO COCC#CC[N@@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000684668614 1016153526 /nfs/dbraw/zinc/15/35/26/1016153526.db2.gz RVDXVVGQIHYQSC-INIZCTEOSA-N 1 1 322.246 3.544 20 30 DHEDMO COCC#CC[N@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC000684668614 1016153530 /nfs/dbraw/zinc/15/35/30/1016153530.db2.gz RVDXVVGQIHYQSC-INIZCTEOSA-N 1 1 322.246 3.544 20 30 DHEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2OC)c1 ZINC000119653531 1016212113 /nfs/dbraw/zinc/21/21/13/1016212113.db2.gz RVJKEVNPIISLRL-LJQANCHMSA-N 1 1 322.408 3.913 20 30 DHEDMO CCC[N@@H+](Cc1csc(C#N)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000892102653 1016224041 /nfs/dbraw/zinc/22/40/41/1016224041.db2.gz STIRQVLEGHULRC-XHSDSOJGSA-N 1 1 304.459 3.645 20 30 DHEDMO CCC[N@@H+](Cc1csc(C#N)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000892102640 1016224115 /nfs/dbraw/zinc/22/41/15/1016224115.db2.gz STIRQVLEGHULRC-OAGGEKHMSA-N 1 1 304.459 3.645 20 30 DHEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000157022478 1016227185 /nfs/dbraw/zinc/22/71/85/1016227185.db2.gz FVODVEKAROLWMR-OAHLLOKOSA-N 1 1 321.852 3.581 20 30 DHEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000157022478 1016227193 /nfs/dbraw/zinc/22/71/93/1016227193.db2.gz FVODVEKAROLWMR-OAHLLOKOSA-N 1 1 321.852 3.581 20 30 DHEDMO C[N@@H+](CCN(CCC#N)Cc1ccccc1)Cc1ccccc1 ZINC000342370457 1016317272 /nfs/dbraw/zinc/31/72/72/1016317272.db2.gz DAGFNAXDMQAFHP-UHFFFAOYSA-N 1 1 307.441 3.534 20 30 DHEDMO CCCCCCCC[N@@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934274425 1016349029 /nfs/dbraw/zinc/34/90/29/1016349029.db2.gz TWUBXKIROFABFF-CQSZACIVSA-N 1 1 307.438 3.688 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934274425 1016349037 /nfs/dbraw/zinc/34/90/37/1016349037.db2.gz TWUBXKIROFABFF-CQSZACIVSA-N 1 1 307.438 3.688 20 30 DHEDMO CC(C)(C)c1ccc2c(c1)C[N@@H+](Cc1ccnc(C#N)c1)CC2 ZINC000611575633 1016361851 /nfs/dbraw/zinc/36/18/51/1016361851.db2.gz UNBUFDUEISROKU-UHFFFAOYSA-N 1 1 305.425 3.809 20 30 DHEDMO CC(C)(C)c1ccc2c(c1)C[N@H+](Cc1ccnc(C#N)c1)CC2 ZINC000611575633 1016361863 /nfs/dbraw/zinc/36/18/63/1016361863.db2.gz UNBUFDUEISROKU-UHFFFAOYSA-N 1 1 305.425 3.809 20 30 DHEDMO C=CCCn1cc(C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)nn1 ZINC000657348882 1016402917 /nfs/dbraw/zinc/40/29/17/1016402917.db2.gz KWXQCJVADQDXNQ-GOSISDBHSA-N 1 1 310.445 3.757 20 30 DHEDMO N#CCSCCC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000072513618 1016521248 /nfs/dbraw/zinc/52/12/48/1016521248.db2.gz NYIXTAPMKZBJRW-SFHVURJKSA-N 1 1 311.454 3.540 20 30 DHEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000127566745 1016683897 /nfs/dbraw/zinc/68/38/97/1016683897.db2.gz ASIGUGPAEJZPCH-YJBOKZPZSA-N 1 1 316.408 3.584 20 30 DHEDMO N#Cc1ccc(CN2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cc1 ZINC000342529920 1016691078 /nfs/dbraw/zinc/69/10/78/1016691078.db2.gz KNJYEDXIWJGQFR-IBGZPJMESA-N 1 1 303.409 3.543 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)C1CCC(C)(C)CC1 ZINC000127582862 1016698557 /nfs/dbraw/zinc/69/85/57/1016698557.db2.gz LUFHADRRSCROOU-UHFFFAOYSA-N 1 1 319.474 3.849 20 30 DHEDMO C[C@@H]1CCCCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072634933 1016714191 /nfs/dbraw/zinc/71/41/91/1016714191.db2.gz DCVRZZDTKPPDER-CQSZACIVSA-N 1 1 317.458 3.505 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1ccnn1CC1CC1)c1ccc(F)c(F)c1 ZINC000657436331 1016778310 /nfs/dbraw/zinc/77/83/10/1016778310.db2.gz KEMYSZVLMFVLRP-SFHVURJKSA-N 1 1 317.383 3.978 20 30 DHEDMO COc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1OCCCC#N ZINC000158946409 1016835703 /nfs/dbraw/zinc/83/57/03/1016835703.db2.gz XKEJIYLTVPEIPC-HNNXBMFYSA-N 1 1 302.418 3.752 20 30 DHEDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000342634131 1016887396 /nfs/dbraw/zinc/88/73/96/1016887396.db2.gz OSAYAUZPNPCLAQ-FQEVSTJZSA-N 1 1 308.425 3.526 20 30 DHEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185421033 1016907328 /nfs/dbraw/zinc/90/73/28/1016907328.db2.gz MDYYGTZHFZCTMH-ZDUSSCGKSA-N 1 1 301.361 3.947 20 30 DHEDMO C[N@H+]1CC[C@@H](NCC#Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623439599 1017047662 /nfs/dbraw/zinc/04/76/62/1017047662.db2.gz QDISCDYIXIDNQQ-MRXNPFEDSA-N 1 1 324.390 3.519 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)C1 ZINC000847026206 1032183702 /nfs/dbraw/zinc/18/37/02/1032183702.db2.gz DSEALKCOUMBQQU-GVDBMIGSSA-N 1 1 312.457 3.872 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)C1 ZINC000847026206 1032183704 /nfs/dbraw/zinc/18/37/04/1032183704.db2.gz DSEALKCOUMBQQU-GVDBMIGSSA-N 1 1 312.457 3.872 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000847032168 1032184828 /nfs/dbraw/zinc/18/48/28/1032184828.db2.gz VTNVMPPEUNFFLX-CYBMUJFWSA-N 1 1 300.402 3.794 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000847032168 1032184832 /nfs/dbraw/zinc/18/48/32/1032184832.db2.gz VTNVMPPEUNFFLX-CYBMUJFWSA-N 1 1 300.402 3.794 20 30 DHEDMO Cc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cs1 ZINC000772960796 1032196670 /nfs/dbraw/zinc/19/66/70/1032196670.db2.gz WKJSJQJWIDUHEG-RYUDHWBXSA-N 1 1 301.415 3.766 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CC=CCC1 ZINC000362236594 1032281289 /nfs/dbraw/zinc/28/12/89/1032281289.db2.gz NBWNHNOLDZSQFO-HNNXBMFYSA-N 1 1 302.393 3.502 20 30 DHEDMO C=C(C)C[N@@H+](CC)[C@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000152521014 1032284700 /nfs/dbraw/zinc/28/47/00/1032284700.db2.gz QMINKRRQSIABPF-CYBMUJFWSA-N 1 1 303.381 3.759 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000152521014 1032284713 /nfs/dbraw/zinc/28/47/13/1032284713.db2.gz QMINKRRQSIABPF-CYBMUJFWSA-N 1 1 303.381 3.759 20 30 DHEDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000537624541 1032326509 /nfs/dbraw/zinc/32/65/09/1032326509.db2.gz YEWBHPBHEXMCKX-INIZCTEOSA-N 1 1 310.445 3.854 20 30 DHEDMO Cn1c2ccc(Nc3nccc(C#N)c3Cl)cc2[nH+]c1C1CC1 ZINC000342718219 1017080811 /nfs/dbraw/zinc/08/08/11/1017080811.db2.gz CNNNNYTZAOICJH-UHFFFAOYSA-N 1 1 323.787 4.114 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](OCC(C)C)C2)cc1OC ZINC000091964410 1032465040 /nfs/dbraw/zinc/46/50/40/1032465040.db2.gz GICKZFRIOVQFOA-QGZVFWFLSA-N 1 1 319.445 3.507 20 30 DHEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282755615 1032482514 /nfs/dbraw/zinc/48/25/14/1032482514.db2.gz MWLZPAZYESQKCL-GOSISDBHSA-N 1 1 314.473 3.760 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)c1cccc(F)c1 ZINC000054272568 1017298169 /nfs/dbraw/zinc/29/81/69/1017298169.db2.gz YOGGYBXCYUDRTR-IBGZPJMESA-N 1 1 315.388 3.556 20 30 DHEDMO C=CC[N@H+](Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1F ZINC000092404647 1032492985 /nfs/dbraw/zinc/49/29/85/1032492985.db2.gz COBCSHITYGGVSG-UHFFFAOYSA-N 1 1 322.387 3.799 20 30 DHEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1F ZINC000092404647 1032492991 /nfs/dbraw/zinc/49/29/91/1032492991.db2.gz COBCSHITYGGVSG-UHFFFAOYSA-N 1 1 322.387 3.799 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2c[nH]nc21 ZINC000092504365 1032499007 /nfs/dbraw/zinc/49/90/07/1032499007.db2.gz UMZOWNRKNSGKSI-UHFFFAOYSA-N 1 1 302.381 3.623 20 30 DHEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000773004965 1032521138 /nfs/dbraw/zinc/52/11/38/1032521138.db2.gz MVRZVEOZGTXFGT-GFCCVEGCSA-N 1 1 315.244 3.580 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCc3c(F)cc(F)cc3C1)CC2 ZINC001171364730 1032516656 /nfs/dbraw/zinc/51/66/56/1032516656.db2.gz CKQPOOOBHJNZJT-GOSISDBHSA-N 1 1 324.374 3.752 20 30 DHEDMO CC(C)C[C@@H]1COCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000093340119 1032531921 /nfs/dbraw/zinc/53/19/21/1032531921.db2.gz UMHDOHHGPPPBHF-GOSISDBHSA-N 1 1 316.445 3.616 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1COC2(CCCCC2)O1 ZINC001171399276 1032582644 /nfs/dbraw/zinc/58/26/44/1032582644.db2.gz CQWVNTJFJHQVNU-YJBOKZPZSA-N 1 1 314.429 3.627 20 30 DHEDMO C=CCn1cc(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)nn1 ZINC000424297446 1011964467 /nfs/dbraw/zinc/96/44/67/1011964467.db2.gz QRVJVZBYFNRDCM-CQSZACIVSA-N 1 1 323.227 3.548 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000153993513 1012258612 /nfs/dbraw/zinc/25/86/12/1012258612.db2.gz DKKRMYHATXKMQV-IBGZPJMESA-N 1 1 307.397 3.559 20 30 DHEDMO C=C(C)CCC(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC001269939920 1012465992 /nfs/dbraw/zinc/46/59/92/1012465992.db2.gz OFCLZNANKCXGDU-SFHVURJKSA-N 1 1 302.462 3.616 20 30 DHEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC3(CCC3)C2)c2ccccc21 ZINC000123038966 1032633582 /nfs/dbraw/zinc/63/35/82/1032633582.db2.gz RPFRKNMOPTYWHS-UHFFFAOYSA-N 1 1 321.424 3.614 20 30 DHEDMO COc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)ccc1C#N ZINC000425364122 1012493143 /nfs/dbraw/zinc/49/31/43/1012493143.db2.gz FJJSHXSTEJOTET-CQSZACIVSA-N 1 1 305.381 3.632 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000425365989 1012497041 /nfs/dbraw/zinc/49/70/41/1012497041.db2.gz NSWFSIKVAQRWNU-QZTJIDSGSA-N 1 1 312.800 3.520 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000425365989 1012497047 /nfs/dbraw/zinc/49/70/47/1012497047.db2.gz NSWFSIKVAQRWNU-QZTJIDSGSA-N 1 1 312.800 3.520 20 30 DHEDMO Cc1ccc2ncc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)n2c1 ZINC000425368126 1012501575 /nfs/dbraw/zinc/50/15/75/1012501575.db2.gz VXBGFGOAMWKELB-OAHLLOKOSA-N 1 1 304.397 3.707 20 30 DHEDMO CCn1c(C[NH+]2CCC(CCC#N)CC2)nc2c1cccc2F ZINC000514934103 1012511761 /nfs/dbraw/zinc/51/17/61/1012511761.db2.gz DZRGFDPALDSTIC-UHFFFAOYSA-N 1 1 314.408 3.711 20 30 DHEDMO C=CC[C@H](C)C(=O)N1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001269959772 1012520319 /nfs/dbraw/zinc/52/03/19/1012520319.db2.gz IXYZDEUCBFMBRK-KRWDZBQOSA-N 1 1 318.505 3.846 20 30 DHEDMO C=CC[C@H](C)C(=O)N1CC2(CC[N@@H+]2C[C@@H](CC)CCCC)C1 ZINC001269960085 1012521686 /nfs/dbraw/zinc/52/16/86/1012521686.db2.gz LVPKHWCVDVIIDC-IRXDYDNUSA-N 1 1 306.494 3.702 20 30 DHEDMO C[N@@H+](CCCNc1nccc(C#N)c1Cl)Cc1ccccc1 ZINC000336702244 1012534798 /nfs/dbraw/zinc/53/47/98/1012534798.db2.gz FEEPCLXPXPQBNU-UHFFFAOYSA-N 1 1 314.820 3.541 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425462324 1012668761 /nfs/dbraw/zinc/66/87/61/1012668761.db2.gz UHLNROIOQUKXQH-UHFFFAOYSA-N 1 1 311.179 3.508 20 30 DHEDMO C=CC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425462324 1012668768 /nfs/dbraw/zinc/66/87/68/1012668768.db2.gz UHLNROIOQUKXQH-UHFFFAOYSA-N 1 1 311.179 3.508 20 30 DHEDMO CCc1ccc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425529489 1012735222 /nfs/dbraw/zinc/73/52/22/1012735222.db2.gz BWIMEGVWPQIVLI-OAHLLOKOSA-N 1 1 321.424 3.752 20 30 DHEDMO CCc1ccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425529489 1012735238 /nfs/dbraw/zinc/73/52/38/1012735238.db2.gz BWIMEGVWPQIVLI-OAHLLOKOSA-N 1 1 321.424 3.752 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccc2c(c1)OCCO2 ZINC000425535701 1012738224 /nfs/dbraw/zinc/73/82/24/1012738224.db2.gz NWZZXFRNXKQWRN-HNNXBMFYSA-N 1 1 322.408 3.565 20 30 DHEDMO CCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc[nH]1 ZINC001270134540 1012773896 /nfs/dbraw/zinc/77/38/96/1012773896.db2.gz OLXMTZNUJGOBGL-ROUUACIJSA-N 1 1 317.477 3.550 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000729851943 1032656834 /nfs/dbraw/zinc/65/68/34/1032656834.db2.gz GDNGDRRPZKIHFW-LJQANCHMSA-N 1 1 310.372 3.661 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000729851943 1032656837 /nfs/dbraw/zinc/65/68/37/1032656837.db2.gz GDNGDRRPZKIHFW-LJQANCHMSA-N 1 1 310.372 3.661 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+](C)[C@H](CC)CSC)c1O ZINC000773253440 1032658008 /nfs/dbraw/zinc/65/80/08/1032658008.db2.gz AGTDQJYRAWPXJM-OAHLLOKOSA-N 1 1 309.475 3.703 20 30 DHEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000535616074 1012811433 /nfs/dbraw/zinc/81/14/33/1012811433.db2.gz HWTBFRJMPABOCB-MRXNPFEDSA-N 1 1 308.425 3.877 20 30 DHEDMO C=CCCC(C)(C)NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000664624341 1012828193 /nfs/dbraw/zinc/82/81/93/1012828193.db2.gz FNTONLPSBBRTSX-CVEARBPZSA-N 1 1 321.509 3.683 20 30 DHEDMO CC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccccc1 ZINC000516956696 1012874262 /nfs/dbraw/zinc/87/42/62/1012874262.db2.gz VJUKYWQCAGTRML-SFHVURJKSA-N 1 1 308.381 3.586 20 30 DHEDMO CC(C)[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC1CC1 ZINC000533494827 1012913898 /nfs/dbraw/zinc/91/38/98/1012913898.db2.gz KEACKSZOIFUEBY-UHFFFAOYSA-N 1 1 319.836 3.661 20 30 DHEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1cn2ccccc2c1C#N ZINC000065595902 1017140485 /nfs/dbraw/zinc/14/04/85/1017140485.db2.gz FJYUPNAAEMDZGA-UHFFFAOYSA-N 1 1 307.372 3.625 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000609916486 1017387126 /nfs/dbraw/zinc/38/71/26/1017387126.db2.gz SBZAJULOJKMLMA-SFHVURJKSA-N 1 1 324.399 3.641 20 30 DHEDMO Cn1c2ccc(NCc3ccc(C#N)o3)cc2[nH+]c1C(C)(C)C ZINC000125241322 1032696590 /nfs/dbraw/zinc/69/65/90/1032696590.db2.gz UPLNUULARGXJHJ-UHFFFAOYSA-N 1 1 308.385 3.948 20 30 DHEDMO C[C@@H](CNc1ncc(C#N)cc1Cl)[N@@H+](C)Cc1ccccc1 ZINC000347329521 1017432143 /nfs/dbraw/zinc/43/21/43/1017432143.db2.gz YCMBHQQPDNDLCI-ZDUSSCGKSA-N 1 1 314.820 3.539 20 30 DHEDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444614878 1017591125 /nfs/dbraw/zinc/59/11/25/1017591125.db2.gz XMIQMOJZEXOBEF-SJORKVTESA-N 1 1 321.509 3.723 20 30 DHEDMO C[NH+]1CCN(N=Cc2c3ccccc3cc3ccccc32)CC1 ZINC000002955247 1017593507 /nfs/dbraw/zinc/59/35/07/1017593507.db2.gz AOLSHLOOPLHLOR-UHFFFAOYSA-N 1 1 303.409 3.574 20 30 DHEDMO CCOC(=O)C1([N@@H+](C)CCCCC(C)(C)C#N)CCCCC1 ZINC000444659421 1017610211 /nfs/dbraw/zinc/61/02/11/1017610211.db2.gz PMNFFECGAQLDPC-UHFFFAOYSA-N 1 1 308.466 3.904 20 30 DHEDMO CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046529854 1017621968 /nfs/dbraw/zinc/62/19/68/1017621968.db2.gz VPAHOCZLTGBNGU-HNNXBMFYSA-N 1 1 321.424 3.580 20 30 DHEDMO CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046529854 1017621975 /nfs/dbraw/zinc/62/19/75/1017621975.db2.gz VPAHOCZLTGBNGU-HNNXBMFYSA-N 1 1 321.424 3.580 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2ccnc(N)c2)cc1 ZINC001167618331 1017626149 /nfs/dbraw/zinc/62/61/49/1017626149.db2.gz HELIXIMRRLTDAI-GOSISDBHSA-N 1 1 308.429 3.599 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2nnc(C3CCC3)n2C)CCCC1(C)C ZINC000444784455 1017681207 /nfs/dbraw/zinc/68/12/07/1017681207.db2.gz VRGOXXRNXYYBMT-HNNXBMFYSA-N 1 1 302.466 3.649 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2nccc(OC)c2OC)CCCC1(C)C ZINC000444794876 1017682537 /nfs/dbraw/zinc/68/25/37/1017682537.db2.gz WVGUYSSCEMBMBH-MRXNPFEDSA-N 1 1 304.434 3.666 20 30 DHEDMO N#Cc1cc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)ccc1F ZINC000121533240 1017783029 /nfs/dbraw/zinc/78/30/29/1017783029.db2.gz WORTXPXFGKWROM-QGZVFWFLSA-N 1 1 302.393 3.621 20 30 DHEDMO C=CC[C@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000625702820 1017784163 /nfs/dbraw/zinc/78/41/63/1017784163.db2.gz JDJSZCXOUHATKI-INIZCTEOSA-N 1 1 321.424 3.636 20 30 DHEDMO CCO[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000674250716 1017912291 /nfs/dbraw/zinc/91/22/91/1017912291.db2.gz DZWPZOJKVATPEC-INIZCTEOSA-N 1 1 311.347 3.558 20 30 DHEDMO C#CC[C@H]1CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC001171490508 1032733596 /nfs/dbraw/zinc/73/35/96/1032733596.db2.gz PAWLWNASAQXESQ-SFHVURJKSA-N 1 1 320.436 3.896 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC001171489309 1032729909 /nfs/dbraw/zinc/72/99/09/1032729909.db2.gz HAJDSUCOUXSENP-HNNXBMFYSA-N 1 1 316.401 3.617 20 30 DHEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000126002444 1032732141 /nfs/dbraw/zinc/73/21/41/1032732141.db2.gz YESOMLBZRVFHCZ-RYUDHWBXSA-N 1 1 311.307 3.679 20 30 DHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC3(CCCC3)C2)cc1 ZINC000445855717 1017989113 /nfs/dbraw/zinc/98/91/13/1017989113.db2.gz MQOMHNONMYZSBQ-UHFFFAOYSA-N 1 1 311.429 3.543 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNc3ccc(C#N)cn3)cc2)C1 ZINC000052158178 1018155895 /nfs/dbraw/zinc/15/58/95/1018155895.db2.gz KSTXQUIJMWVCKE-INIZCTEOSA-N 1 1 320.440 3.797 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000150889026 1018315929 /nfs/dbraw/zinc/31/59/29/1018315929.db2.gz BAUULWZBOHISCN-UHFFFAOYSA-N 1 1 320.481 3.563 20 30 DHEDMO C=CCCCCC[N@@H+](C)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000150883871 1018320189 /nfs/dbraw/zinc/32/01/89/1018320189.db2.gz CLHVFQMUEYQSHS-UHFFFAOYSA-N 1 1 302.418 3.506 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000150883871 1018320199 /nfs/dbraw/zinc/32/01/99/1018320199.db2.gz CLHVFQMUEYQSHS-UHFFFAOYSA-N 1 1 302.418 3.506 20 30 DHEDMO COCC[N@H+](Cc1cccc(F)c1C#N)[C@H](C)c1ccccc1 ZINC000428468386 1018327511 /nfs/dbraw/zinc/32/75/11/1018327511.db2.gz OEYHGXKEQZUWOI-OAHLLOKOSA-N 1 1 312.388 3.907 20 30 DHEDMO COCC[N@@H+](Cc1cccc(F)c1C#N)[C@H](C)c1ccccc1 ZINC000428468386 1018327520 /nfs/dbraw/zinc/32/75/20/1018327520.db2.gz OEYHGXKEQZUWOI-OAHLLOKOSA-N 1 1 312.388 3.907 20 30 DHEDMO CSc1ccc(OCC[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000441240970 1018367093 /nfs/dbraw/zinc/36/70/93/1018367093.db2.gz CPQNQIHONFDMNX-UHFFFAOYSA-N 1 1 312.438 3.791 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171543667 1032759173 /nfs/dbraw/zinc/75/91/73/1032759173.db2.gz MRBIDZZRYBRCRI-RUZUBIRVSA-N 1 1 320.358 3.728 20 30 DHEDMO C[C@@H](C1CCCCC1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000447392294 1018387253 /nfs/dbraw/zinc/38/72/53/1018387253.db2.gz BFXDTMHFTIQCII-HNNXBMFYSA-N 1 1 313.445 3.787 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)o1 ZINC000174277515 1018409197 /nfs/dbraw/zinc/40/91/97/1018409197.db2.gz AAQWPIPKVNLQDB-UHFFFAOYSA-N 1 1 323.327 3.767 20 30 DHEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(OC)c1 ZINC000766120131 1018417911 /nfs/dbraw/zinc/41/79/11/1018417911.db2.gz JKHPXDALUJLZIY-FQEVSTJZSA-N 1 1 311.425 3.807 20 30 DHEDMO CC[N@H+]1CCCN(c2c(C#N)cnc3ccc(C(C)C)cc32)CC1 ZINC000447675358 1018455890 /nfs/dbraw/zinc/45/58/90/1018455890.db2.gz AURYFYVOGMIWSL-UHFFFAOYSA-N 1 1 322.456 3.762 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1c(C)cccc1C(C)C)[C@H](C)COC ZINC000661248941 1018717039 /nfs/dbraw/zinc/71/70/39/1018717039.db2.gz WVGOLFCCNJVLGG-MRXNPFEDSA-N 1 1 318.461 3.580 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1C(C)C)[C@H](C)COC ZINC000661248941 1018717050 /nfs/dbraw/zinc/71/70/50/1018717050.db2.gz WVGOLFCCNJVLGG-MRXNPFEDSA-N 1 1 318.461 3.580 20 30 DHEDMO C[C@@H](NCC1(C#N)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000405067518 1018725119 /nfs/dbraw/zinc/72/51/19/1018725119.db2.gz BPTRPBDNEWESJB-MJGOQNOKSA-N 1 1 311.473 3.571 20 30 DHEDMO C[C@@H](NCC1(C#N)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000405067517 1018725938 /nfs/dbraw/zinc/72/59/38/1018725938.db2.gz BPTRPBDNEWESJB-IEBWSBKVSA-N 1 1 311.473 3.571 20 30 DHEDMO Clc1ccc(C#CC[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000583963448 1018779620 /nfs/dbraw/zinc/77/96/20/1018779620.db2.gz JWHHSEJVXAUZOT-QZTJIDSGSA-N 1 1 315.844 3.725 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000583963448 1018779634 /nfs/dbraw/zinc/77/96/34/1018779634.db2.gz JWHHSEJVXAUZOT-QZTJIDSGSA-N 1 1 315.844 3.725 20 30 DHEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000109890230 1018819935 /nfs/dbraw/zinc/81/99/35/1018819935.db2.gz SZLUMHNCTBYUDM-OAHLLOKOSA-N 1 1 316.405 3.533 20 30 DHEDMO C[C@H](c1ccccc1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000252000712 1018954194 /nfs/dbraw/zinc/95/41/94/1018954194.db2.gz MIVPACOKVIXQSH-GOSISDBHSA-N 1 1 319.452 3.827 20 30 DHEDMO C[N@@H+](CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)(C)C)C1 ZINC001171603354 1032799263 /nfs/dbraw/zinc/79/92/63/1032799263.db2.gz YVZZSXNBJPFDMG-CABCVRRESA-N 1 1 323.481 3.646 20 30 DHEDMO CCc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000007420058 1019029421 /nfs/dbraw/zinc/02/94/21/1019029421.db2.gz CNJRTBRXWKMAFI-OAHLLOKOSA-N 1 1 321.424 3.580 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000248639355 1019082917 /nfs/dbraw/zinc/08/29/17/1019082917.db2.gz WSAUHJGIKCMMAS-XKQJLSEDSA-N 1 1 320.864 3.804 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000248639355 1019082932 /nfs/dbraw/zinc/08/29/32/1019082932.db2.gz WSAUHJGIKCMMAS-XKQJLSEDSA-N 1 1 320.864 3.804 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ncccc2C#N)cc1 ZINC000080914783 1019120010 /nfs/dbraw/zinc/12/00/10/1019120010.db2.gz PZIFVGNTWAWPGQ-ZDUSSCGKSA-N 1 1 303.369 3.621 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1)C1CC1 ZINC000338575744 1019235547 /nfs/dbraw/zinc/23/55/47/1019235547.db2.gz DIJOZEHXSGCFBI-GOSISDBHSA-N 1 1 319.408 3.556 20 30 DHEDMO COc1ccc2c(c1)OCC[N@H+]([C@H](C)c1ccc(C#N)cc1)C2 ZINC000338636935 1019414206 /nfs/dbraw/zinc/41/42/06/1019414206.db2.gz KQDQVHOIVOYEIW-CQSZACIVSA-N 1 1 308.381 3.522 20 30 DHEDMO COc1ccc2c(c1)OCC[N@@H+]([C@H](C)c1ccc(C#N)cc1)C2 ZINC000338636935 1019414212 /nfs/dbraw/zinc/41/42/12/1019414212.db2.gz KQDQVHOIVOYEIW-CQSZACIVSA-N 1 1 308.381 3.522 20 30 DHEDMO C=CC[N@@H+](Cc1cnn(CC(F)(F)F)c1)Cc1ccccc1 ZINC000351585642 1019418943 /nfs/dbraw/zinc/41/89/43/1019418943.db2.gz SEKTZCJLEIWVHF-UHFFFAOYSA-N 1 1 309.335 3.634 20 30 DHEDMO C=CC[N@H+](Cc1cnn(CC(F)(F)F)c1)Cc1ccccc1 ZINC000351585642 1019418953 /nfs/dbraw/zinc/41/89/53/1019418953.db2.gz SEKTZCJLEIWVHF-UHFFFAOYSA-N 1 1 309.335 3.634 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3[nH]nc4ccccc43)CC2)cc1 ZINC000611287728 1019434861 /nfs/dbraw/zinc/43/48/61/1019434861.db2.gz GCPSYIPXAVUGOK-UHFFFAOYSA-N 1 1 314.392 3.724 20 30 DHEDMO N#Cc1ccc(C2=CC[N@H+](Cc3n[nH]c4ccccc43)CC2)cc1 ZINC000611287728 1019434874 /nfs/dbraw/zinc/43/48/74/1019434874.db2.gz GCPSYIPXAVUGOK-UHFFFAOYSA-N 1 1 314.392 3.724 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3n[nH]c4ccccc43)CC2)cc1 ZINC000611287728 1019434882 /nfs/dbraw/zinc/43/48/82/1019434882.db2.gz GCPSYIPXAVUGOK-UHFFFAOYSA-N 1 1 314.392 3.724 20 30 DHEDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccc(C#N)s1 ZINC000611285855 1019434977 /nfs/dbraw/zinc/43/49/77/1019434977.db2.gz DUJKESUVDCXRKN-OAHLLOKOSA-N 1 1 311.454 3.850 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c1C#N ZINC000611348382 1019453362 /nfs/dbraw/zinc/45/33/62/1019453362.db2.gz WGLZYYCAIYAYAG-ZBFHGGJFSA-N 1 1 308.429 3.673 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c1C#N ZINC000611348382 1019453372 /nfs/dbraw/zinc/45/33/72/1019453372.db2.gz WGLZYYCAIYAYAG-ZBFHGGJFSA-N 1 1 308.429 3.673 20 30 DHEDMO CC[C@@H]1CCC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000611346332 1019453586 /nfs/dbraw/zinc/45/35/86/1019453586.db2.gz YTZYGIFXPOAYMO-MRXNPFEDSA-N 1 1 308.429 3.674 20 30 DHEDMO CC[C@@H]1CCC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000611346332 1019453588 /nfs/dbraw/zinc/45/35/88/1019453588.db2.gz YTZYGIFXPOAYMO-MRXNPFEDSA-N 1 1 308.429 3.674 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]2C2CCC2)c1C#N ZINC000611346815 1019454224 /nfs/dbraw/zinc/45/42/24/1019454224.db2.gz LAIJSWUDTDLADW-IBGZPJMESA-N 1 1 320.440 3.817 20 30 DHEDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391564 1019466281 /nfs/dbraw/zinc/46/62/81/1019466281.db2.gz XMXMGRXLSOISAP-JXXFODFXSA-N 1 1 311.473 3.646 20 30 DHEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391564 1019466286 /nfs/dbraw/zinc/46/62/86/1019466286.db2.gz XMXMGRXLSOISAP-JXXFODFXSA-N 1 1 311.473 3.646 20 30 DHEDMO C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392693 1019468662 /nfs/dbraw/zinc/46/86/62/1019468662.db2.gz DSGXTUFPKHSXFG-GQIGUUNPSA-N 1 1 311.473 3.788 20 30 DHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392693 1019468673 /nfs/dbraw/zinc/46/86/73/1019468673.db2.gz DSGXTUFPKHSXFG-GQIGUUNPSA-N 1 1 311.473 3.788 20 30 DHEDMO COC(=O)C(C)(C)[C@H]([NH2+]Cc1ccccc1C#N)c1ccccc1 ZINC000611405972 1019474104 /nfs/dbraw/zinc/47/41/04/1019474104.db2.gz SEQMZOKGWLOWDH-GOSISDBHSA-N 1 1 322.408 3.588 20 30 DHEDMO N#Cc1cc(C[NH2+]Cc2c(F)cccc2N2CCCC2)cs1 ZINC000922120084 1019476736 /nfs/dbraw/zinc/47/67/36/1019476736.db2.gz CHCNNMJWVAMXCT-UHFFFAOYSA-N 1 1 315.417 3.649 20 30 DHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000611554009 1019514560 /nfs/dbraw/zinc/51/45/60/1019514560.db2.gz BENBEOSDFDKCPT-GXFFZTMASA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cccc(C#N)c1F ZINC000611554009 1019514566 /nfs/dbraw/zinc/51/45/66/1019514566.db2.gz BENBEOSDFDKCPT-GXFFZTMASA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000611555331 1019517157 /nfs/dbraw/zinc/51/71/57/1019517157.db2.gz XNHNLWREPGGFSD-MFKMUULPSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc(C#N)ccc1F ZINC000611555331 1019517163 /nfs/dbraw/zinc/51/71/63/1019517163.db2.gz XNHNLWREPGGFSD-MFKMUULPSA-N 1 1 300.299 3.860 20 30 DHEDMO CC(C)CO[C@H](C)c1noc(C[N@H+](C)CC(C)(C)CCC#N)n1 ZINC000093885945 1019587008 /nfs/dbraw/zinc/58/70/08/1019587008.db2.gz CZBOWEDIXKZTOG-CQSZACIVSA-N 1 1 322.453 3.565 20 30 DHEDMO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CC(C)(C)CCC#N)n1 ZINC000093885945 1019587026 /nfs/dbraw/zinc/58/70/26/1019587026.db2.gz CZBOWEDIXKZTOG-CQSZACIVSA-N 1 1 322.453 3.565 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1n1ccnc1 ZINC000129557924 1032845859 /nfs/dbraw/zinc/84/58/59/1032845859.db2.gz NNPMJRVJDDGMCZ-LPHOPBHVSA-N 1 1 322.456 3.767 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000347578495 1019720845 /nfs/dbraw/zinc/72/08/45/1019720845.db2.gz IBNDYDSGXSBSLB-AGIUHOORSA-N 1 1 319.836 3.517 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](OCC)C2)ccc1OC ZINC000155469192 1019819629 /nfs/dbraw/zinc/81/96/29/1019819629.db2.gz JNDSGODMKRMSNA-KRWDZBQOSA-N 1 1 319.445 3.651 20 30 DHEDMO C[C@@H]1C[C@@H](NCc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000080338971 1019859882 /nfs/dbraw/zinc/85/98/82/1019859882.db2.gz LPGZSQCHBMLRLK-UTKZUKDTSA-N 1 1 319.452 3.701 20 30 DHEDMO C[C@@H]1C[C@@H](NCc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000080338971 1019859896 /nfs/dbraw/zinc/85/98/96/1019859896.db2.gz LPGZSQCHBMLRLK-UTKZUKDTSA-N 1 1 319.452 3.701 20 30 DHEDMO Cc1ccc(C[N@H+](C)Cn2ccc(-c3ccc(C#N)cc3)n2)s1 ZINC000728046754 1019863275 /nfs/dbraw/zinc/86/32/75/1019863275.db2.gz NZMVBXWENZYBJA-UHFFFAOYSA-N 1 1 322.437 3.881 20 30 DHEDMO Cc1ccc(C[N@@H+](C)Cn2ccc(-c3ccc(C#N)cc3)n2)s1 ZINC000728046754 1019863294 /nfs/dbraw/zinc/86/32/94/1019863294.db2.gz NZMVBXWENZYBJA-UHFFFAOYSA-N 1 1 322.437 3.881 20 30 DHEDMO N#Cc1ccc(CCNc2[nH+]cccc2C2CCOCC2)cc1 ZINC001167678682 1019988535 /nfs/dbraw/zinc/98/85/35/1019988535.db2.gz UYQZUWJLHXWJFE-UHFFFAOYSA-N 1 1 307.397 3.502 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC000731211184 1020080026 /nfs/dbraw/zinc/08/00/26/1020080026.db2.gz AVDQJZVRWVHUNL-IBGZPJMESA-N 1 1 324.399 3.935 20 30 DHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccc(C#N)o1 ZINC000092664119 1020105687 /nfs/dbraw/zinc/10/56/87/1020105687.db2.gz BNLZSKIGMWMALX-UHFFFAOYSA-N 1 1 321.380 3.871 20 30 DHEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(C#N)cs1)CCC2 ZINC000093365197 1020148918 /nfs/dbraw/zinc/14/89/18/1020148918.db2.gz HLUXBWOWSCNOOD-AWEZNQCLSA-N 1 1 303.456 3.894 20 30 DHEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000093511388 1020157074 /nfs/dbraw/zinc/15/70/74/1020157074.db2.gz HMKLSIYIHCXWGD-QGZVFWFLSA-N 1 1 311.454 3.721 20 30 DHEDMO Cc1ccc(CC[N@H+](Cc2ccc(C#N)o2)C[C@@H]2CCCO2)cc1 ZINC000093668565 1020163592 /nfs/dbraw/zinc/16/35/92/1020163592.db2.gz YPYXGONTXBWASO-IBGZPJMESA-N 1 1 324.424 3.683 20 30 DHEDMO C#CCN(Cc1[nH+]cc(C)c(OC)c1C)[C@H]1CCc2ccccc21 ZINC000731889374 1020164455 /nfs/dbraw/zinc/16/44/55/1020164455.db2.gz GZHPULIZQLCSQI-FQEVSTJZSA-N 1 1 320.436 3.830 20 30 DHEDMO C#CC[N@@H+](Cc1ncc(C)c(OC)c1C)[C@H]1CCc2ccccc21 ZINC000731889374 1020164458 /nfs/dbraw/zinc/16/44/58/1020164458.db2.gz GZHPULIZQLCSQI-FQEVSTJZSA-N 1 1 320.436 3.830 20 30 DHEDMO C#CC[N@H+](Cc1ncc(C)c(OC)c1C)[C@H]1CCc2ccccc21 ZINC000731889374 1020164462 /nfs/dbraw/zinc/16/44/62/1020164462.db2.gz GZHPULIZQLCSQI-FQEVSTJZSA-N 1 1 320.436 3.830 20 30 DHEDMO C#CCN(Cc1[nH+]cc(C)c(OC)c1C)[C@@H]1CCc2ccccc21 ZINC000731889375 1020164949 /nfs/dbraw/zinc/16/49/49/1020164949.db2.gz GZHPULIZQLCSQI-HXUWFJFHSA-N 1 1 320.436 3.830 20 30 DHEDMO C#CC[N@@H+](Cc1ncc(C)c(OC)c1C)[C@@H]1CCc2ccccc21 ZINC000731889375 1020164954 /nfs/dbraw/zinc/16/49/54/1020164954.db2.gz GZHPULIZQLCSQI-HXUWFJFHSA-N 1 1 320.436 3.830 20 30 DHEDMO C#CC[N@H+](Cc1ncc(C)c(OC)c1C)[C@@H]1CCc2ccccc21 ZINC000731889375 1020164960 /nfs/dbraw/zinc/16/49/60/1020164960.db2.gz GZHPULIZQLCSQI-HXUWFJFHSA-N 1 1 320.436 3.830 20 30 DHEDMO CC[NH+](CC)[C@@H](C(=O)OCc1ccc(C#N)cc1)c1ccccc1 ZINC000731908745 1020168822 /nfs/dbraw/zinc/16/88/22/1020168822.db2.gz RKHDGSRLGYUSMA-LJQANCHMSA-N 1 1 322.408 3.685 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1nc2ccccc2n1C ZINC000155009621 1020176965 /nfs/dbraw/zinc/17/69/65/1020176965.db2.gz OZTCLJJWUMWTEV-CQSZACIVSA-N 1 1 304.397 3.638 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1nc2ccccc2n1C ZINC000155009621 1020176972 /nfs/dbraw/zinc/17/69/72/1020176972.db2.gz OZTCLJJWUMWTEV-CQSZACIVSA-N 1 1 304.397 3.638 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)cc1 ZINC000155253950 1020206069 /nfs/dbraw/zinc/20/60/69/1020206069.db2.gz XEGLHGUCWWJJPA-INIZCTEOSA-N 1 1 310.372 3.695 20 30 DHEDMO C(#Cc1ccccc1)CNC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000892424603 1020206912 /nfs/dbraw/zinc/20/69/12/1020206912.db2.gz GBJLXECPPKVXOQ-SFHVURJKSA-N 1 1 310.466 3.526 20 30 DHEDMO C[N@@H+](CCCNc1nc2c(cc1C#N)CCC2)C1CCCCC1 ZINC000390875589 1020232417 /nfs/dbraw/zinc/23/24/17/1020232417.db2.gz RDCVQJIIHWONJH-UHFFFAOYSA-N 1 1 312.461 3.508 20 30 DHEDMO CCCCCCC[C@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732449143 1020240665 /nfs/dbraw/zinc/24/06/65/1020240665.db2.gz JAYPHEQGHRGGMD-WMZOPIPTSA-N 1 1 323.525 3.861 20 30 DHEDMO CCCCCCCC[C@@H](C)OCCCC[C@H]([NH3+])C(=O)OC ZINC001217889849 1020260172 /nfs/dbraw/zinc/26/01/72/1020260172.db2.gz DXTZICIMLATGGX-CVEARBPZSA-N 1 1 301.471 3.813 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)[C@H](C#N)c2ccccn2)cc1)C(C)C ZINC000347740433 1020277389 /nfs/dbraw/zinc/27/73/89/1020277389.db2.gz BPVMNVRZVFTZKO-GOSISDBHSA-N 1 1 321.424 3.802 20 30 DHEDMO COc1ccc(OC)c(C[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000130475658 1032889716 /nfs/dbraw/zinc/88/97/16/1032889716.db2.gz UPVITFPJVSYCEF-SFHVURJKSA-N 1 1 310.397 3.838 20 30 DHEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2ccnc(C#N)c2)c1 ZINC000612137795 1020327552 /nfs/dbraw/zinc/32/75/52/1020327552.db2.gz WLYOUGJNWAKKFQ-IFXJQAMLSA-N 1 1 307.397 3.545 20 30 DHEDMO COc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)c(OC)c1 ZINC000130587755 1032892681 /nfs/dbraw/zinc/89/26/81/1032892681.db2.gz JZRZHKAICXDNKO-SFHVURJKSA-N 1 1 310.397 3.838 20 30 DHEDMO COc1ccccc1C[N@H+](Cc1cc(C#N)ccc1OC)C1CC1 ZINC000156242371 1020333568 /nfs/dbraw/zinc/33/35/68/1020333568.db2.gz IISJFIYRWBBSNN-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO COc1ccccc1C[N@@H+](Cc1cc(C#N)ccc1OC)C1CC1 ZINC000156242371 1020333576 /nfs/dbraw/zinc/33/35/76/1020333576.db2.gz IISJFIYRWBBSNN-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO CCOc1ccc(C[N@@H+](CCOC)Cc2ccc(C#N)cc2)cc1 ZINC000125731275 1020342902 /nfs/dbraw/zinc/34/29/02/1020342902.db2.gz CMFQGQHRCNSGGY-UHFFFAOYSA-N 1 1 324.424 3.606 20 30 DHEDMO CC[N@@H+](Cc1ccccc1C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000179463055 1020349687 /nfs/dbraw/zinc/34/96/87/1020349687.db2.gz SYQAZQIZHCISLG-OAHLLOKOSA-N 1 1 322.408 3.928 20 30 DHEDMO C[C@]1(C#N)CCC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000612161922 1020351843 /nfs/dbraw/zinc/35/18/43/1020351843.db2.gz HEJJQUQYKXXUAS-OAHLLOKOSA-N 1 1 312.335 3.753 20 30 DHEDMO C[C@]1(C#N)CCC[N@@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000612161922 1020351853 /nfs/dbraw/zinc/35/18/53/1020351853.db2.gz HEJJQUQYKXXUAS-OAHLLOKOSA-N 1 1 312.335 3.753 20 30 DHEDMO C[C@H](c1ccccc1F)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000733302002 1020361613 /nfs/dbraw/zinc/36/16/13/1020361613.db2.gz GMXVZCBNGAVXKC-OAHLLOKOSA-N 1 1 309.388 3.581 20 30 DHEDMO C[NH+](C)Cc1ccc(NC(=O)c2ccsc2C#N)cc1Cl ZINC001128525519 1020438859 /nfs/dbraw/zinc/43/88/59/1020438859.db2.gz MVAHNIHJZQPRQJ-UHFFFAOYSA-N 1 1 319.817 3.587 20 30 DHEDMO C=CC[N@@H+](Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1)C1CC1 ZINC000282638968 1020478467 /nfs/dbraw/zinc/47/84/67/1020478467.db2.gz ZCRPXPFKPCKFSI-UHFFFAOYSA-N 1 1 309.435 3.641 20 30 DHEDMO C=CC[N@H+](Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1)C1CC1 ZINC000282638968 1020478480 /nfs/dbraw/zinc/47/84/80/1020478480.db2.gz ZCRPXPFKPCKFSI-UHFFFAOYSA-N 1 1 309.435 3.641 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1nc2c(cc1C#N)CCCC2 ZINC000301099734 1020501972 /nfs/dbraw/zinc/50/19/72/1020501972.db2.gz QVHGPPJFMGLHKL-OAHLLOKOSA-N 1 1 312.461 3.508 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+](CC)[C@H](C)c2cc3ccccc3o2)C1=O ZINC000337146350 1032907748 /nfs/dbraw/zinc/90/77/48/1032907748.db2.gz YGTFDBPHAGIXTH-ZBFHGGJFSA-N 1 1 312.413 3.603 20 30 DHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C1 ZINC000337172669 1032910180 /nfs/dbraw/zinc/91/01/80/1032910180.db2.gz GRBLJKXVAOFWEY-JKSUJKDBSA-N 1 1 310.507 3.693 20 30 DHEDMO C=CCn1ccc2c1nc[nH+]c2N[C@H]1CCCc2cccnc21 ZINC001168650990 1020556410 /nfs/dbraw/zinc/55/64/10/1020556410.db2.gz OMLNSNUFGONJJG-HNNXBMFYSA-N 1 1 305.385 3.502 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H]2C2CCCC2)c1=S ZINC000077569369 1020562469 /nfs/dbraw/zinc/56/24/69/1020562469.db2.gz JEYFDOZPYPNDIZ-OAHLLOKOSA-N 1 1 306.479 3.521 20 30 DHEDMO CC(C)(C)[N@H+](Cc1ccsc1)C[C@H](O)c1cccc(C#N)c1 ZINC001171901064 1032911741 /nfs/dbraw/zinc/91/17/41/1032911741.db2.gz SXBLKXAOWRFQKZ-KRWDZBQOSA-N 1 1 314.454 3.954 20 30 DHEDMO Cc1cc(C)c(C#N)c(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000360864408 1020593716 /nfs/dbraw/zinc/59/37/16/1020593716.db2.gz MMHSOJMRFLZEOB-DNVCBOLYSA-N 1 1 320.440 3.503 20 30 DHEDMO C[C@@H](NN=C1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000734365657 1020596048 /nfs/dbraw/zinc/59/60/48/1020596048.db2.gz OVTJRSBAYBETCW-IAGOWNOFSA-N 1 1 322.456 3.630 20 30 DHEDMO Cc1ccc(N=NC2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000734365946 1020596105 /nfs/dbraw/zinc/59/61/05/1020596105.db2.gz YUOZKBIKEYHWHI-MRXNPFEDSA-N 1 1 308.429 3.700 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(C)cc1C ZINC000065959749 1020602031 /nfs/dbraw/zinc/60/20/31/1020602031.db2.gz SHDWFPZWQHVFKX-UHFFFAOYSA-N 1 1 322.452 3.973 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc(C)cc1C ZINC000065959749 1020602039 /nfs/dbraw/zinc/60/20/39/1020602039.db2.gz SHDWFPZWQHVFKX-UHFFFAOYSA-N 1 1 322.452 3.973 20 30 DHEDMO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+]CC(C)(C)C#N ZINC000612585278 1020632198 /nfs/dbraw/zinc/63/21/98/1020632198.db2.gz UTDXHTVGYVMGIR-CQSZACIVSA-N 1 1 305.441 3.947 20 30 DHEDMO C[N@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000180053330 1020747081 /nfs/dbraw/zinc/74/70/81/1020747081.db2.gz QFQGNMYAALYIHV-UHFFFAOYSA-N 1 1 302.381 3.580 20 30 DHEDMO C[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)Cc1ccc(C#N)cc1 ZINC000180053330 1020747088 /nfs/dbraw/zinc/74/70/88/1020747088.db2.gz QFQGNMYAALYIHV-UHFFFAOYSA-N 1 1 302.381 3.580 20 30 DHEDMO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735674819 1020762088 /nfs/dbraw/zinc/76/20/88/1020762088.db2.gz WDKIHDUXYRAMCJ-NEPJUHHUSA-N 1 1 310.850 3.568 20 30 DHEDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735674819 1020762092 /nfs/dbraw/zinc/76/20/92/1020762092.db2.gz WDKIHDUXYRAMCJ-NEPJUHHUSA-N 1 1 310.850 3.568 20 30 DHEDMO CSCC[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000736318439 1020806260 /nfs/dbraw/zinc/80/62/60/1020806260.db2.gz JEXMFBSLRAFMCM-GFCCVEGCSA-N 1 1 312.866 3.816 20 30 DHEDMO Fc1cccc(N2CCCC2)c1C[NH2+]CC#Cc1ccccc1 ZINC000736355542 1020811336 /nfs/dbraw/zinc/81/13/36/1020811336.db2.gz QSJSMLUOWHSBNO-UHFFFAOYSA-N 1 1 308.400 3.567 20 30 DHEDMO Cc1ccc(C[C@H](C)[N@@H+](C)Cc2ccc(OCC#N)cc2)cc1 ZINC000738330730 1020869135 /nfs/dbraw/zinc/86/91/35/1020869135.db2.gz IUWKGXWGKMPVKQ-KRWDZBQOSA-N 1 1 308.425 3.960 20 30 DHEDMO CC(C)(C)OC(=O)C1CCC([N@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001171928333 1032942841 /nfs/dbraw/zinc/94/28/41/1032942841.db2.gz BSNMDFFLFSNEIN-FHERZECASA-N 1 1 306.450 3.513 20 30 DHEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000173010619 1020895988 /nfs/dbraw/zinc/89/59/88/1020895988.db2.gz BKTFEUJYTGQWNM-AWEZNQCLSA-N 1 1 312.335 3.601 20 30 DHEDMO C=CCCCCC[N@@H+](C)CN1C(=O)CC2(CCC(C)CC2)C1=O ZINC000739885089 1020919399 /nfs/dbraw/zinc/91/93/99/1020919399.db2.gz MTUHFPHHYTUSQY-UHFFFAOYSA-N 1 1 320.477 3.578 20 30 DHEDMO C=CCCCCC[N@H+](C)CN1C(=O)CC2(CCC(C)CC2)C1=O ZINC000739885089 1020919405 /nfs/dbraw/zinc/91/94/05/1020919405.db2.gz MTUHFPHHYTUSQY-UHFFFAOYSA-N 1 1 320.477 3.578 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000739929821 1020924386 /nfs/dbraw/zinc/92/43/86/1020924386.db2.gz GTYHEXAZXGODAK-UHFFFAOYSA-N 1 1 315.413 3.980 20 30 DHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000739914778 1020924589 /nfs/dbraw/zinc/92/45/89/1020924589.db2.gz KKIURVCUJHRVGQ-WMZOPIPTSA-N 1 1 314.429 3.530 20 30 DHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000739914778 1020924595 /nfs/dbraw/zinc/92/45/95/1020924595.db2.gz KKIURVCUJHRVGQ-WMZOPIPTSA-N 1 1 314.429 3.530 20 30 DHEDMO CC(C)(C)c1ccc(C#N)c(NCC[NH+]2Cc3ccccc3C2)n1 ZINC000613416789 1020947536 /nfs/dbraw/zinc/94/75/36/1020947536.db2.gz NSVOSVAHNFNGKF-UHFFFAOYSA-N 1 1 320.440 3.678 20 30 DHEDMO CCCCCCC[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000740874391 1020958320 /nfs/dbraw/zinc/95/83/20/1020958320.db2.gz IGHBDMJAHWRJMX-UHFFFAOYSA-N 1 1 302.462 3.981 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000740875293 1020958674 /nfs/dbraw/zinc/95/86/74/1020958674.db2.gz RBPFJJYIBJYGDI-INIZCTEOSA-N 1 1 303.450 3.703 20 30 DHEDMO C[C@@H]1C[C@H](/N=C/c2cc(Cl)cc(Cl)c2O)CC[N@@H+]1C ZINC000741465067 1021007894 /nfs/dbraw/zinc/00/78/94/1021007894.db2.gz SOJKUMJSJPVBIX-GPNDMUCLSA-N 1 1 301.217 3.601 20 30 DHEDMO C[C@@H]1C[C@H](/N=C/c2cc(Cl)cc(Cl)c2O)CC[N@H+]1C ZINC000741465067 1021007901 /nfs/dbraw/zinc/00/79/01/1021007901.db2.gz SOJKUMJSJPVBIX-GPNDMUCLSA-N 1 1 301.217 3.601 20 30 DHEDMO CC[N@H+]1CCC(N=Nc2ncnc3c4ccccc4oc32)[C@@H](C)C1 ZINC000741462048 1021008215 /nfs/dbraw/zinc/00/82/15/1021008215.db2.gz IYGNWWLFIFQHDL-LBPRGKRZSA-N 1 1 323.400 3.506 20 30 DHEDMO CC1(C)C[C@@H](N(CCC#N)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC001171989161 1032950312 /nfs/dbraw/zinc/95/03/12/1032950312.db2.gz ZDIZAJJKTXRIRM-IBGZPJMESA-N 1 1 324.472 3.559 20 30 DHEDMO CC(C)(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000452069305 1021127878 /nfs/dbraw/zinc/12/78/78/1021127878.db2.gz DQHFUXZYFRQHOM-ZDUSSCGKSA-N 1 1 319.474 3.706 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c(C(F)(F)F)c1 ZINC000356308130 1021135598 /nfs/dbraw/zinc/13/55/98/1021135598.db2.gz SEXAMUKSWAKFPY-JKSUJKDBSA-N 1 1 324.346 3.720 20 30 DHEDMO C=CCn1ccc2c1nc[nH+]c2NCc1nccc2ccccc21 ZINC001167700816 1021138125 /nfs/dbraw/zinc/13/81/25/1021138125.db2.gz VWGXNKHQVYJYAS-UHFFFAOYSA-N 1 1 315.380 3.778 20 30 DHEDMO C#CCCCCC(=O)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000180755141 1021158741 /nfs/dbraw/zinc/15/87/41/1021158741.db2.gz BVDSREFWSQJWLU-LJQANCHMSA-N 1 1 313.441 3.635 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c(C#N)c1C ZINC000177023674 1021192289 /nfs/dbraw/zinc/19/22/89/1021192289.db2.gz QNFKBZHLTPIKAL-SMDDNHRTSA-N 1 1 319.474 3.686 20 30 DHEDMO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(C(F)(F)F)c1 ZINC001143478694 1021203638 /nfs/dbraw/zinc/20/36/38/1021203638.db2.gz KQFKBUQYGVQGQA-DEZZGGKRSA-N 1 1 324.346 3.981 20 30 DHEDMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(C(F)(F)F)c1 ZINC001143478694 1021203646 /nfs/dbraw/zinc/20/36/46/1021203646.db2.gz KQFKBUQYGVQGQA-DEZZGGKRSA-N 1 1 324.346 3.981 20 30 DHEDMO CC1(C)C[C@@H](NCc2cc(C#N)co2)CC[N@H+]1Cc1ccccc1 ZINC001171980978 1032968646 /nfs/dbraw/zinc/96/86/46/1032968646.db2.gz YRZLIKMJDUFYBJ-SFHVURJKSA-N 1 1 323.440 3.684 20 30 DHEDMO C=CC[N@@H+](Cn1ccn(-c2ccc(OC)cc2)c1=S)C(C)C ZINC000917481523 1021274748 /nfs/dbraw/zinc/27/47/48/1021274748.db2.gz NBJOEHODHNYIQG-UHFFFAOYSA-N 1 1 317.458 3.871 20 30 DHEDMO C=CC[N@H+](Cn1ccn(-c2ccc(OC)cc2)c1=S)C(C)C ZINC000917481523 1021274754 /nfs/dbraw/zinc/27/47/54/1021274754.db2.gz NBJOEHODHNYIQG-UHFFFAOYSA-N 1 1 317.458 3.871 20 30 DHEDMO CC[N@@H+](CCc1cccs1)Cc1ccc(OCC#N)cc1 ZINC000264554044 1032969299 /nfs/dbraw/zinc/96/92/99/1032969299.db2.gz MDKIQOUSYUTSRF-UHFFFAOYSA-N 1 1 300.427 3.715 20 30 DHEDMO CC(C)(C#N)CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000776385486 1021335630 /nfs/dbraw/zinc/33/56/30/1021335630.db2.gz GCUSTJBPCWNPDT-KRWDZBQOSA-N 1 1 314.429 3.524 20 30 DHEDMO CC(C)(C#N)CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000776385486 1021335646 /nfs/dbraw/zinc/33/56/46/1021335646.db2.gz GCUSTJBPCWNPDT-KRWDZBQOSA-N 1 1 314.429 3.524 20 30 DHEDMO COc1ccccc1OCC[N@@H+](C)CCCCC(C)(C)C#N ZINC000444593424 1021351696 /nfs/dbraw/zinc/35/16/96/1021351696.db2.gz RQKMTEOARQPTQR-UHFFFAOYSA-N 1 1 304.434 3.726 20 30 DHEDMO C[C@H](Nc1[nH+]cnc2[nH]c3c(c21)CCCC3)c1cccc(C#N)c1 ZINC001167709388 1021360333 /nfs/dbraw/zinc/36/03/33/1021360333.db2.gz YRDLJVORPJLWKI-LBPRGKRZSA-N 1 1 317.396 3.881 20 30 DHEDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1[N+](=O)[O-] ZINC000181837051 1021365726 /nfs/dbraw/zinc/36/57/26/1021365726.db2.gz NGEYITCESJOLPF-LBPRGKRZSA-N 1 1 313.332 3.765 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000743842588 1021369791 /nfs/dbraw/zinc/36/97/91/1021369791.db2.gz HRQIOXOWNFSQJJ-OAQYLSRUSA-N 1 1 320.436 3.897 20 30 DHEDMO C=C(Br)C[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000743854288 1021379948 /nfs/dbraw/zinc/37/99/48/1021379948.db2.gz RWUPIVQSNYEXSU-OAHLLOKOSA-N 1 1 309.251 3.798 20 30 DHEDMO C=C(Br)C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000743854288 1021379964 /nfs/dbraw/zinc/37/99/64/1021379964.db2.gz RWUPIVQSNYEXSU-OAHLLOKOSA-N 1 1 309.251 3.798 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](F)CC2)cc1Br ZINC001236856967 1021391803 /nfs/dbraw/zinc/39/18/03/1021391803.db2.gz QQHFZDIVRDMQJK-ZDUSSCGKSA-N 1 1 311.198 3.645 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](F)CC2)cc1Br ZINC001236856967 1021391819 /nfs/dbraw/zinc/39/18/19/1021391819.db2.gz QQHFZDIVRDMQJK-ZDUSSCGKSA-N 1 1 311.198 3.645 20 30 DHEDMO CC(C)[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)CCS1 ZINC000743869688 1021390529 /nfs/dbraw/zinc/39/05/29/1021390529.db2.gz VZOQKXVMKFCCPH-MRXNPFEDSA-N 1 1 324.877 3.816 20 30 DHEDMO CC(C)[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)CCS1 ZINC000743869688 1021390546 /nfs/dbraw/zinc/39/05/46/1021390546.db2.gz VZOQKXVMKFCCPH-MRXNPFEDSA-N 1 1 324.877 3.816 20 30 DHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(OCC#N)cc2)C1 ZINC000743868897 1021399106 /nfs/dbraw/zinc/39/91/06/1021399106.db2.gz HEVNGMNMMVRZOU-NVXWUHKLSA-N 1 1 304.459 3.695 20 30 DHEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000181961892 1021403165 /nfs/dbraw/zinc/40/31/65/1021403165.db2.gz VEYBVEQXKKGPLI-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@H](C)S1 ZINC000092540617 1021442303 /nfs/dbraw/zinc/44/23/03/1021442303.db2.gz MELQRCJTIQRTOP-GASCZTMLSA-N 1 1 304.459 3.695 20 30 DHEDMO C=C(C)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000069521902 1021493887 /nfs/dbraw/zinc/49/38/87/1021493887.db2.gz FAMAZCUCJMEJDP-UHFFFAOYSA-N 1 1 301.409 3.667 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(COC)o1)Cc1ccc(OC)cc1 ZINC000092217479 1021502449 /nfs/dbraw/zinc/50/24/49/1021502449.db2.gz SCLDLCGFUNDMQV-UHFFFAOYSA-N 1 1 301.386 3.623 20 30 DHEDMO C=CC[N@H+](Cc1ccc(COC)o1)Cc1ccc(OC)cc1 ZINC000092217479 1021502458 /nfs/dbraw/zinc/50/24/58/1021502458.db2.gz SCLDLCGFUNDMQV-UHFFFAOYSA-N 1 1 301.386 3.623 20 30 DHEDMO COc1ccc(C[NH2+]CC2(C#N)CCCCC2)c(C)c1OC ZINC000850391048 1021504620 /nfs/dbraw/zinc/50/46/20/1021504620.db2.gz BXJMATLZUHNTJW-UHFFFAOYSA-N 1 1 302.418 3.576 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1ccc(N2CCCCC2)cc1)C(C)C ZINC000744389417 1021526715 /nfs/dbraw/zinc/52/67/15/1021526715.db2.gz SPAOKOCSHGWNNL-UHFFFAOYSA-N 1 1 315.461 3.512 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)CC2CCOCC2)cc1Cl ZINC000093284284 1021543105 /nfs/dbraw/zinc/54/31/05/1021543105.db2.gz JMUABPLPXRJKOS-UHFFFAOYSA-N 1 1 309.837 3.763 20 30 DHEDMO CC[C@@](C)(C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063796 1032987748 /nfs/dbraw/zinc/98/77/48/1032987748.db2.gz DODCYDYDJMRIQX-YRPNKDGESA-N 1 1 311.473 3.854 20 30 DHEDMO COc1ccc(C[N@@H+](CCCCC#N)C(C)(C)C)c(OC)c1 ZINC000132207128 1032995530 /nfs/dbraw/zinc/99/55/30/1032995530.db2.gz YHQGOODMSYFWAM-UHFFFAOYSA-N 1 1 304.434 3.998 20 30 DHEDMO C=CCC1(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000619111199 1021634418 /nfs/dbraw/zinc/63/44/18/1021634418.db2.gz XSIMFPQMTWPYOQ-SFHVURJKSA-N 1 1 312.457 3.514 20 30 DHEDMO C=CCOc1ccc(CN2CC[C@@H](C[N@H+](C)CC)C2)cc1Cl ZINC000093769983 1021676018 /nfs/dbraw/zinc/67/60/18/1021676018.db2.gz DIZBOOZTJJCDBM-INIZCTEOSA-N 1 1 322.880 3.678 20 30 DHEDMO N#Cc1cccc(C[NH2+]Cc2c(F)cccc2OC(F)(F)F)c1 ZINC000556385877 1021693425 /nfs/dbraw/zinc/69/34/25/1021693425.db2.gz JYGUDLRMQZSTGL-UHFFFAOYSA-N 1 1 324.277 3.886 20 30 DHEDMO CCC1(CC)C[N@@H+](CCOc2cccc(C#N)c2)CCS1 ZINC001307663069 1021723087 /nfs/dbraw/zinc/72/30/87/1021723087.db2.gz YNAVWMZXLLEAMN-UHFFFAOYSA-N 1 1 304.459 3.545 20 30 DHEDMO CC(C)Cn1ccnc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000619508341 1021771177 /nfs/dbraw/zinc/77/11/77/1021771177.db2.gz AWVIWDODUGMOGZ-IBGZPJMESA-N 1 1 322.456 3.968 20 30 DHEDMO C[C@@H](CC(C)(C)C#N)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000851207224 1021780645 /nfs/dbraw/zinc/78/06/45/1021780645.db2.gz ATHCFRZOXCLVAH-DOTOQJQBSA-N 1 1 314.429 3.523 20 30 DHEDMO C[C@@H](CC(C)(C)C#N)OC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000851207224 1021780661 /nfs/dbraw/zinc/78/06/61/1021780661.db2.gz ATHCFRZOXCLVAH-DOTOQJQBSA-N 1 1 314.429 3.523 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c[nH]nc2c1 ZINC000154369996 1021826393 /nfs/dbraw/zinc/82/63/93/1021826393.db2.gz XRKLKUWKQUUDSE-UHFFFAOYSA-N 1 1 304.397 3.845 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cnn(C2CCCC2)c1 ZINC000619723914 1021852752 /nfs/dbraw/zinc/85/27/52/1021852752.db2.gz UHEJEWQQBNKCGA-CYBMUJFWSA-N 1 1 312.392 3.860 20 30 DHEDMO CCC(CC)C[N@@H+](CC)CC(=O)N(CCC#N)c1ccccc1 ZINC000338936071 1021854015 /nfs/dbraw/zinc/85/40/15/1021854015.db2.gz NKVNBBBXYGOBFA-UHFFFAOYSA-N 1 1 315.461 3.691 20 30 DHEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(NC2(c3cccnn3)CC2)cc1 ZINC001168524811 1021890364 /nfs/dbraw/zinc/89/03/64/1021890364.db2.gz YIVWNXBYTARKIW-SFHVURJKSA-N 1 1 320.440 3.901 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CCCOc3cc(C)ccc32)CC1 ZINC000152963741 1021908734 /nfs/dbraw/zinc/90/87/34/1021908734.db2.gz CLRRCMJYRHXSDE-LJQANCHMSA-N 1 1 314.473 3.839 20 30 DHEDMO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000195136566 1021923153 /nfs/dbraw/zinc/92/31/53/1021923153.db2.gz KLXQBNDKJZPKRD-PXNSSMCTSA-N 1 1 319.452 3.731 20 30 DHEDMO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000195136566 1021923162 /nfs/dbraw/zinc/92/31/62/1021923162.db2.gz KLXQBNDKJZPKRD-PXNSSMCTSA-N 1 1 319.452 3.731 20 30 DHEDMO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000195136566 1021923169 /nfs/dbraw/zinc/92/31/69/1021923169.db2.gz KLXQBNDKJZPKRD-PXNSSMCTSA-N 1 1 319.452 3.731 20 30 DHEDMO N#CCCOCC[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000338940294 1021963597 /nfs/dbraw/zinc/96/35/97/1021963597.db2.gz MBNPSLDDTDXNQM-UHFFFAOYSA-N 1 1 304.409 3.543 20 30 DHEDMO C=CCC(CC=C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000153195128 1022005604 /nfs/dbraw/zinc/00/56/04/1022005604.db2.gz VLZCDSSIOFFYOY-APWZRJJASA-N 1 1 312.457 3.534 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)cc1 ZINC000851834515 1022015635 /nfs/dbraw/zinc/01/56/35/1022015635.db2.gz SHQJJCPPCRPUFH-NHCUHLMSSA-N 1 1 320.436 3.689 20 30 DHEDMO N#Cc1csc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)n1 ZINC000352831808 1022037207 /nfs/dbraw/zinc/03/72/07/1022037207.db2.gz CMTUOBGKDYEPBX-UHFFFAOYSA-N 1 1 305.406 3.972 20 30 DHEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc(COc2ccc(F)cc2)n1 ZINC000852098408 1022071230 /nfs/dbraw/zinc/07/12/30/1022071230.db2.gz METHRJXUHPBHJK-KRWDZBQOSA-N 1 1 318.417 3.753 20 30 DHEDMO COc1cccc(/C=N\[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1O ZINC000920174030 1022075608 /nfs/dbraw/zinc/07/56/08/1022075608.db2.gz IYRGOLMQDPWMAR-PKUKISGVSA-N 1 1 324.424 3.655 20 30 DHEDMO CC(C)(C)[N@H+](Cc1ccsc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000852312053 1022102443 /nfs/dbraw/zinc/10/24/43/1022102443.db2.gz SZQDIJMMZKJIQG-QGZVFWFLSA-N 1 1 314.454 3.954 20 30 DHEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCCc2ccccc2)C1 ZINC000852325540 1022107565 /nfs/dbraw/zinc/10/75/65/1022107565.db2.gz HZWDDZSBYLPIOK-FQEVSTJZSA-N 1 1 305.425 3.572 20 30 DHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCCc2ccccc2)C1 ZINC000852325540 1022107568 /nfs/dbraw/zinc/10/75/68/1022107568.db2.gz HZWDDZSBYLPIOK-FQEVSTJZSA-N 1 1 305.425 3.572 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000076152569 1022119892 /nfs/dbraw/zinc/11/98/92/1022119892.db2.gz IHJJVKUNPWAJJO-RTBURBONSA-N 1 1 321.380 3.867 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000076152569 1022119895 /nfs/dbraw/zinc/11/98/95/1022119895.db2.gz IHJJVKUNPWAJJO-RTBURBONSA-N 1 1 321.380 3.867 20 30 DHEDMO CCCCCCCC[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000746472475 1022124152 /nfs/dbraw/zinc/12/41/52/1022124152.db2.gz QFVXNTXAIQOAMC-JKSUJKDBSA-N 1 1 303.512 3.635 20 30 DHEDMO C[N@H+](CCCOc1ccc(C#N)cc1)Cc1c(F)cccc1F ZINC000920489258 1022127217 /nfs/dbraw/zinc/12/72/17/1022127217.db2.gz KMBFVBMSAPTVSG-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1c(F)cccc1F ZINC000920489258 1022127222 /nfs/dbraw/zinc/12/72/22/1022127222.db2.gz KMBFVBMSAPTVSG-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO CC(C)(C)OC(=O)NCCCCCCC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000852687907 1022158640 /nfs/dbraw/zinc/15/86/40/1022158640.db2.gz XHVXFFATVSBSQA-SFHVURJKSA-N 1 1 323.481 3.697 20 30 DHEDMO C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000120229400 1022225380 /nfs/dbraw/zinc/22/53/80/1022225380.db2.gz IOZFCFSOWMIYRN-UTKZUKDTSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@@H]1C[C@@H](CNCc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000120229400 1022225393 /nfs/dbraw/zinc/22/53/93/1022225393.db2.gz IOZFCFSOWMIYRN-UTKZUKDTSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@@H]1C[C@@H](CNCc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000120229400 1022225403 /nfs/dbraw/zinc/22/54/03/1022225403.db2.gz IOZFCFSOWMIYRN-UTKZUKDTSA-N 1 1 319.452 3.558 20 30 DHEDMO C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3C[C@H](CC)CCCC)C1 ZINC001272708758 1022278341 /nfs/dbraw/zinc/27/83/41/1022278341.db2.gz DAFKBWZZLQJBAC-NEWSRXKRSA-N 1 1 318.505 3.844 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](c3cccc(C)c3)C2)cc1C#N ZINC000541387857 1022288325 /nfs/dbraw/zinc/28/83/25/1022288325.db2.gz RCMBBVTVOMYMOI-SFHVURJKSA-N 1 1 306.409 3.865 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1c(=S)ncn1-c1ccccc1 ZINC000853598761 1022297562 /nfs/dbraw/zinc/29/75/62/1022297562.db2.gz WJICEEUBEFCXSD-IYBDPMFKSA-N 1 1 312.442 3.544 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1c(=S)ncn1-c1ccccc1 ZINC000853598761 1022297568 /nfs/dbraw/zinc/29/75/68/1022297568.db2.gz WJICEEUBEFCXSD-IYBDPMFKSA-N 1 1 312.442 3.544 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000609800695 1022350316 /nfs/dbraw/zinc/35/03/16/1022350316.db2.gz QFNSVGDLMCQEAM-IBGZPJMESA-N 1 1 324.449 3.727 20 30 DHEDMO N#Cc1cccc(OCC[N@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000609800995 1022354405 /nfs/dbraw/zinc/35/44/05/1022354405.db2.gz ZZCBXLYEZHLTAZ-IBGZPJMESA-N 1 1 324.449 3.727 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000609916485 1022382347 /nfs/dbraw/zinc/38/23/47/1022382347.db2.gz SBZAJULOJKMLMA-GOSISDBHSA-N 1 1 324.399 3.641 20 30 DHEDMO C=CCCC[N@H+](C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000609916150 1022383803 /nfs/dbraw/zinc/38/38/03/1022383803.db2.gz DHAICNRXHNYNDP-LJQANCHMSA-N 1 1 320.285 3.999 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000610002255 1022399640 /nfs/dbraw/zinc/39/96/40/1022399640.db2.gz TXYGRDJSNWARMH-IUODEOHRSA-N 1 1 312.335 3.663 20 30 DHEDMO Cc1cccc2nc(C[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)cn21 ZINC000776739395 1022465497 /nfs/dbraw/zinc/46/54/97/1022465497.db2.gz ORMJTNRSWOUTOZ-ZDUSSCGKSA-N 1 1 308.360 3.504 20 30 DHEDMO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000615447502 1022479888 /nfs/dbraw/zinc/47/98/88/1022479888.db2.gz KTDHFULXGBLIJV-WFASDCNBSA-N 1 1 312.335 3.663 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1COc2ccccc2O1 ZINC000615463689 1022490360 /nfs/dbraw/zinc/49/03/60/1022490360.db2.gz HUZOVKGXUYBVFZ-INIZCTEOSA-N 1 1 313.372 3.654 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H]1COc2ccccc2O1 ZINC000615463689 1022490367 /nfs/dbraw/zinc/49/03/67/1022490367.db2.gz HUZOVKGXUYBVFZ-INIZCTEOSA-N 1 1 313.372 3.654 20 30 DHEDMO Cc1cc(N2CC[C@](F)(C#N)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000615529898 1022499269 /nfs/dbraw/zinc/49/92/69/1022499269.db2.gz BEKNXKNJXPQYND-INIZCTEOSA-N 1 1 321.302 3.587 20 30 DHEDMO Cc1cc(N2CC[C@@](F)(C#N)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000615529899 1022500597 /nfs/dbraw/zinc/50/05/97/1022500597.db2.gz BEKNXKNJXPQYND-MRXNPFEDSA-N 1 1 321.302 3.587 20 30 DHEDMO CCC[C@]1(COC)CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001169779805 1022542776 /nfs/dbraw/zinc/54/27/76/1022542776.db2.gz DCFXNCKUNWQYAV-LJQANCHMSA-N 1 1 316.445 3.608 20 30 DHEDMO C=CC[C@@H]1[N@H+](CC(=O)Nc2ccc(Cl)cn2)CCCC1(C)C ZINC001169844980 1022561972 /nfs/dbraw/zinc/56/19/72/1022561972.db2.gz PYVDTUGOGUUQJP-AWEZNQCLSA-N 1 1 321.852 3.740 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2C)c1 ZINC000766856303 1022563259 /nfs/dbraw/zinc/56/32/59/1022563259.db2.gz SBWXXTMCNUAOMB-MRXNPFEDSA-N 1 1 306.409 3.608 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001169845173 1022565321 /nfs/dbraw/zinc/56/53/21/1022565321.db2.gz SRVNMVGCWICDCQ-CQSZACIVSA-N 1 1 315.363 3.997 20 30 DHEDMO N#CCC[N@H+](Cc1ccc(Cl)cc1)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172243882 1033065953 /nfs/dbraw/zinc/06/59/53/1033065953.db2.gz HXMJCOBYJFYJCD-ALOPSCKCSA-N 1 1 302.805 3.542 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(C#N)cc1OC)[C@H]1CCc2ccccc21 ZINC000766894344 1022606177 /nfs/dbraw/zinc/60/61/77/1022606177.db2.gz FDSKLSAFJWRTLE-FQEVSTJZSA-N 1 1 316.404 3.690 20 30 DHEDMO C#CC[N@H+](Cc1ccc(C#N)cc1OC)[C@H]1CCc2ccccc21 ZINC000766894344 1022606182 /nfs/dbraw/zinc/60/61/82/1022606182.db2.gz FDSKLSAFJWRTLE-FQEVSTJZSA-N 1 1 316.404 3.690 20 30 DHEDMO C#CCCC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000766896997 1022606604 /nfs/dbraw/zinc/60/66/04/1022606604.db2.gz YJTVAWNMODVSOU-UHFFFAOYSA-N 1 1 313.420 3.504 20 30 DHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)C(C)C)c1C ZINC000338975102 1022641968 /nfs/dbraw/zinc/64/19/68/1022641968.db2.gz YCKMMQYWIBDXCI-QGZVFWFLSA-N 1 1 315.461 3.526 20 30 DHEDMO C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000584720389 1022661042 /nfs/dbraw/zinc/66/10/42/1022661042.db2.gz HEHDEPCDSFXZKV-GJZGRUSLSA-N 1 1 308.466 3.616 20 30 DHEDMO CC1(C)CCC2(CC[NH+](Cc3ccc(F)cc3C#N)CC2)O1 ZINC001141167495 1022684272 /nfs/dbraw/zinc/68/42/72/1022684272.db2.gz MEDVJESEEOZSCD-UHFFFAOYSA-N 1 1 302.393 3.621 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001172305723 1033075514 /nfs/dbraw/zinc/07/55/14/1033075514.db2.gz FPWFCTQMQCIBTK-QFBILLFUSA-N 1 1 305.425 3.764 20 30 DHEDMO Cc1ccccc1O[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172305751 1033076988 /nfs/dbraw/zinc/07/69/88/1033076988.db2.gz FXURDBYRDBBRCY-FXAWDEMLSA-N 1 1 320.436 3.951 20 30 DHEDMO COc1ccc([C@H]2CC[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)cc1 ZINC001172310814 1033078925 /nfs/dbraw/zinc/07/89/25/1033078925.db2.gz JMPXQGISEMHTNR-JXFKEZNVSA-N 1 1 320.436 3.987 20 30 DHEDMO CCn1c2ccccc2nc1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000767689351 1022782736 /nfs/dbraw/zinc/78/27/36/1022782736.db2.gz MAIARKAYIIQACJ-UHFFFAOYSA-N 1 1 304.397 3.526 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3CC3(Cl)Cl)CC2)cc1 ZINC000767731245 1022790145 /nfs/dbraw/zinc/79/01/45/1022790145.db2.gz RXPBNNRVLRRNDD-OAHLLOKOSA-N 1 1 307.224 3.841 20 30 DHEDMO Cc1ccc([C@H](O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000767740679 1022796183 /nfs/dbraw/zinc/79/61/83/1022796183.db2.gz LQCTUXXZIZDRTC-OAQYLSRUSA-N 1 1 318.420 3.689 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001172315477 1033081564 /nfs/dbraw/zinc/08/15/64/1033081564.db2.gz OOLXDDIANUVPIJ-IUODEOHRSA-N 1 1 314.326 3.713 20 30 DHEDMO C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccc(C#N)cc1 ZINC000162456222 1022823833 /nfs/dbraw/zinc/82/38/33/1022823833.db2.gz XJLFSNXMDONZOY-GFCCVEGCSA-N 1 1 324.815 3.949 20 30 DHEDMO C#CC[N@@H+](Cc1cc2c(cc[nH]c2=O)o1)[C@@H]1CCc2ccccc21 ZINC000876514519 1033083822 /nfs/dbraw/zinc/08/38/22/1033083822.db2.gz XNGQRAMFZHZRQO-GOSISDBHSA-N 1 1 318.376 3.656 20 30 DHEDMO C#CC[N@H+](Cc1cc2c(cc[nH]c2=O)o1)[C@@H]1CCc2ccccc21 ZINC000876514519 1033083836 /nfs/dbraw/zinc/08/38/36/1033083836.db2.gz XNGQRAMFZHZRQO-GOSISDBHSA-N 1 1 318.376 3.656 20 30 DHEDMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000767880922 1022828276 /nfs/dbraw/zinc/82/82/76/1022828276.db2.gz DUXIVVAPWUAUEN-IBGZPJMESA-N 1 1 306.409 3.926 20 30 DHEDMO C[C@H](NCC[N@@H+](C)C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000538508235 1033086817 /nfs/dbraw/zinc/08/68/17/1033086817.db2.gz DDESYYUPTDLMGM-AWEZNQCLSA-N 1 1 303.425 3.612 20 30 DHEDMO C[C@H]([NH2+]CCN(C)C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000538508235 1033086833 /nfs/dbraw/zinc/08/68/33/1033086833.db2.gz DDESYYUPTDLMGM-AWEZNQCLSA-N 1 1 303.425 3.612 20 30 DHEDMO CN(C)c1ccc(C[N@@H+](Cc2cc(C#N)cs2)C2CC2)cc1 ZINC000768256383 1022932598 /nfs/dbraw/zinc/93/25/98/1022932598.db2.gz DSUNKELCWMMVOQ-UHFFFAOYSA-N 1 1 311.454 3.850 20 30 DHEDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1F ZINC000768257602 1022932761 /nfs/dbraw/zinc/93/27/61/1022932761.db2.gz NTEGEJJUHSPVRX-UHFFFAOYSA-N 1 1 323.415 3.928 20 30 DHEDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(C#N)s2)C2CC2)cc1 ZINC000768258695 1022935263 /nfs/dbraw/zinc/93/52/63/1022935263.db2.gz WBVRCIYEDBRDJD-UHFFFAOYSA-N 1 1 311.454 3.850 20 30 DHEDMO C=CCCC1(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCCC1 ZINC000617417864 1022947547 /nfs/dbraw/zinc/94/75/47/1022947547.db2.gz JJPMRRCXZCCXOR-UHFFFAOYSA-N 1 1 324.428 3.524 20 30 DHEDMO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(N=Nc2ccccn2)C3)cc1 ZINC000768352333 1022949525 /nfs/dbraw/zinc/94/95/25/1022949525.db2.gz NWNUGMOEVREGRW-HDICACEKSA-N 1 1 306.413 3.677 20 30 DHEDMO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=NOCc2cccnc2)C3)cc1 ZINC000768367997 1022952187 /nfs/dbraw/zinc/95/21/87/1022952187.db2.gz VGHSAPOUSGUGMP-BGYRXZFFSA-N 1 1 321.424 3.781 20 30 DHEDMO CC1CC[NH+](c2ccc(NC[C@@H](O)CC(C)(C)C#N)cc2)CC1 ZINC000857238411 1022974929 /nfs/dbraw/zinc/97/49/29/1022974929.db2.gz PISANMLZZHZSND-SFHVURJKSA-N 1 1 315.461 3.636 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1cccnc1 ZINC000617542477 1022982943 /nfs/dbraw/zinc/98/29/43/1022982943.db2.gz RZFMJQBJJMZDLZ-UHFFFAOYSA-N 1 1 323.440 3.531 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)c2oc(C(=O)OC)cc21)C(C)C ZINC000768548158 1022992266 /nfs/dbraw/zinc/99/22/66/1022992266.db2.gz XGIOCSLILLRCIP-UHFFFAOYSA-N 1 1 317.385 3.624 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(F)c3ccccc23)no1 ZINC001212325171 1023001210 /nfs/dbraw/zinc/00/12/10/1023001210.db2.gz LETRADRLVFURBL-INIZCTEOSA-N 1 1 309.344 3.832 20 30 DHEDMO CC[N@@H+](Cc1ccc(Cl)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000876598524 1033101288 /nfs/dbraw/zinc/10/12/88/1033101288.db2.gz NXCPVCANYJUOTC-LBPRGKRZSA-N 1 1 300.793 3.585 20 30 DHEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000769106390 1023085471 /nfs/dbraw/zinc/08/54/71/1023085471.db2.gz LKMGDGDDHLQAPS-IBGZPJMESA-N 1 1 307.393 3.741 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)nn1 ZINC000876603192 1033103949 /nfs/dbraw/zinc/10/39/49/1033103949.db2.gz LOCBYRVMRDDQEC-UHFFFAOYSA-N 1 1 314.820 3.660 20 30 DHEDMO CCCCCCCOc1ccc(C[N@H+]2CC[C@H](CO)C2)cc1 ZINC000769244396 1023107903 /nfs/dbraw/zinc/10/79/03/1023107903.db2.gz NVXXKBGPHGYNQN-SFHVURJKSA-N 1 1 305.462 3.850 20 30 DHEDMO N#Cc1csc(C[NH2+]Cc2nc3ccccc3n2C2CC2)c1 ZINC000184785386 1023119198 /nfs/dbraw/zinc/11/91/98/1023119198.db2.gz LWRHENXDYCGHDO-UHFFFAOYSA-N 1 1 308.410 3.594 20 30 DHEDMO CCc1onc(C)c1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000893360304 1023138488 /nfs/dbraw/zinc/13/84/88/1023138488.db2.gz LAIJHVYEVIZQFB-UHFFFAOYSA-N 1 1 322.330 3.706 20 30 DHEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC001252541900 1033108555 /nfs/dbraw/zinc/10/85/55/1033108555.db2.gz VYPQBUSMYSXIOE-LSDHHAIUSA-N 1 1 310.235 3.523 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000876622712 1033108735 /nfs/dbraw/zinc/10/87/35/1033108735.db2.gz KZJHOOIRDKLHQC-CVEARBPZSA-N 1 1 323.481 3.505 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759864325 1023154900 /nfs/dbraw/zinc/15/49/00/1023154900.db2.gz HLMCHJZAXNYPRA-KRWDZBQOSA-N 1 1 323.795 3.836 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)COC2 ZINC000769549439 1023176941 /nfs/dbraw/zinc/17/69/41/1023176941.db2.gz RMSRHGZTUVPTOE-RTWAWAEBSA-N 1 1 318.420 3.989 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000769549439 1023176948 /nfs/dbraw/zinc/17/69/48/1023176948.db2.gz RMSRHGZTUVPTOE-RTWAWAEBSA-N 1 1 318.420 3.989 20 30 DHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)CCO2 ZINC001172377327 1033112935 /nfs/dbraw/zinc/11/29/35/1033112935.db2.gz LZLOUTZKWGHVIY-LASHMREHSA-N 1 1 321.505 3.885 20 30 DHEDMO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCCCC(C)(C)C#N ZINC000769727460 1023201456 /nfs/dbraw/zinc/20/14/56/1023201456.db2.gz WCDYTDAWFGEXAT-OAHLLOKOSA-N 1 1 323.481 3.648 20 30 DHEDMO CC(C)(CCC#N)COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000195094532 1023210443 /nfs/dbraw/zinc/21/04/43/1023210443.db2.gz BMIZOPIUOLMQIL-QGZVFWFLSA-N 1 1 314.429 3.524 20 30 DHEDMO CC(C)(CCC#N)COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000195094532 1023210448 /nfs/dbraw/zinc/21/04/48/1023210448.db2.gz BMIZOPIUOLMQIL-QGZVFWFLSA-N 1 1 314.429 3.524 20 30 DHEDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000770018216 1023263130 /nfs/dbraw/zinc/26/31/30/1023263130.db2.gz KLHOEMNUEVUUAZ-KRWDZBQOSA-N 1 1 322.456 3.601 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000876695251 1033125107 /nfs/dbraw/zinc/12/51/07/1033125107.db2.gz VIHPCTKHMOXAJD-CQSZACIVSA-N 1 1 315.779 3.735 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000876695251 1033125110 /nfs/dbraw/zinc/12/51/10/1033125110.db2.gz VIHPCTKHMOXAJD-CQSZACIVSA-N 1 1 315.779 3.735 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC000660628737 1023354086 /nfs/dbraw/zinc/35/40/86/1023354086.db2.gz WSOHWLKPGHVREV-KRWDZBQOSA-N 1 1 310.828 3.966 20 30 DHEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1noc(Cc2ccccc2)n1 ZINC000661117893 1023488233 /nfs/dbraw/zinc/48/82/33/1023488233.db2.gz UYCZKMLSJSJXQT-SJORKVTESA-N 1 1 311.429 3.885 20 30 DHEDMO CCCCCCC[C@@H](CC)[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC001172354198 1033136894 /nfs/dbraw/zinc/13/68/94/1033136894.db2.gz FQMKYVWBTASTGQ-LJQANCHMSA-N 1 1 323.569 3.837 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Cl)c2cccnc12)[C@@H](C)COC ZINC000661243983 1023536544 /nfs/dbraw/zinc/53/65/44/1023536544.db2.gz OSKLORXRAXZBHO-ZDUSSCGKSA-N 1 1 304.821 3.911 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Cl)c2cccnc12)[C@H](C)COC ZINC000661243981 1023537392 /nfs/dbraw/zinc/53/73/92/1023537392.db2.gz OSKLORXRAXZBHO-CYBMUJFWSA-N 1 1 304.821 3.911 20 30 DHEDMO C=CC[N@@H+](Cc1cc(Cl)cc2cccnc21)[C@@H](C)COC ZINC000661244881 1023539399 /nfs/dbraw/zinc/53/93/99/1023539399.db2.gz XCZPBMLGDQQKQK-ZDUSSCGKSA-N 1 1 304.821 3.911 20 30 DHEDMO C=CC[N@H+](Cc1nc(-c2ccccc2)oc1C)[C@H](C)COC ZINC000661248664 1023541844 /nfs/dbraw/zinc/54/18/44/1023541844.db2.gz WQSQBUCAOAVFRD-CQSZACIVSA-N 1 1 300.402 3.673 20 30 DHEDMO C=CC[N@@H+](Cc1nc(-c2ccccc2)oc1C)[C@H](C)COC ZINC000661248664 1023541846 /nfs/dbraw/zinc/54/18/46/1023541846.db2.gz WQSQBUCAOAVFRD-CQSZACIVSA-N 1 1 300.402 3.673 20 30 DHEDMO C=CC[N@H+](CCCC(=O)Nc1c(C)cccc1C)[C@H](C)COC ZINC000661249043 1023541871 /nfs/dbraw/zinc/54/18/71/1023541871.db2.gz YKBGYEFWADXZMC-QGZVFWFLSA-N 1 1 318.461 3.545 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000859444079 1033142874 /nfs/dbraw/zinc/14/28/74/1033142874.db2.gz BTOALSOXWBFKKS-AWEZNQCLSA-N 1 1 304.459 3.858 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000661379024 1023583417 /nfs/dbraw/zinc/58/34/17/1023583417.db2.gz QVXZCVTVVGZODK-DLBZAZTESA-N 1 1 300.446 3.919 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000785999353 1023650638 /nfs/dbraw/zinc/65/06/38/1023650638.db2.gz TWDGHRHAGQAQCT-QGZVFWFLSA-N 1 1 309.409 3.822 20 30 DHEDMO C=CCC[N@@H+](C)Cn1c(C2CC2)nn(-c2ccccc2)c1=S ZINC000786101567 1023659430 /nfs/dbraw/zinc/65/94/30/1023659430.db2.gz MHAASHZWAIEJJB-UHFFFAOYSA-N 1 1 314.458 3.746 20 30 DHEDMO C=CCC[N@H+](C)Cn1c(C2CC2)nn(-c2ccccc2)c1=S ZINC000786101567 1023659431 /nfs/dbraw/zinc/65/94/31/1023659431.db2.gz MHAASHZWAIEJJB-UHFFFAOYSA-N 1 1 314.458 3.746 20 30 DHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H]1CC[C@H](C)[C@@H](C)C1)C2 ZINC001172370853 1033152044 /nfs/dbraw/zinc/15/20/44/1033152044.db2.gz BOXNZRFEVBULQB-PNYFIKQUSA-N 1 1 318.505 3.844 20 30 DHEDMO C=CC[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)C(C)(C)C ZINC000661756591 1023730355 /nfs/dbraw/zinc/73/03/55/1023730355.db2.gz RSQRDVMYDLOLJE-UHFFFAOYSA-N 1 1 307.344 3.801 20 30 DHEDMO C=CC[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)C(C)(C)C ZINC000661756591 1023730359 /nfs/dbraw/zinc/73/03/59/1023730359.db2.gz RSQRDVMYDLOLJE-UHFFFAOYSA-N 1 1 307.344 3.801 20 30 DHEDMO C=CC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(C)(C)C ZINC000661756427 1023730684 /nfs/dbraw/zinc/73/06/84/1023730684.db2.gz ONNNKARPIJPBCI-UHFFFAOYSA-N 1 1 305.809 3.775 20 30 DHEDMO C=CC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(C)(C)C ZINC000661756427 1023730689 /nfs/dbraw/zinc/73/06/89/1023730689.db2.gz ONNNKARPIJPBCI-UHFFFAOYSA-N 1 1 305.809 3.775 20 30 DHEDMO COc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)cc(C(F)(F)F)c1 ZINC001143517528 1023737190 /nfs/dbraw/zinc/73/71/90/1023737190.db2.gz PREYZHKRGBBKCR-LBPRGKRZSA-N 1 1 312.335 3.840 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@H](C#N)CC2)cc(C(F)(F)F)c1 ZINC001143517528 1023737195 /nfs/dbraw/zinc/73/71/95/1023737195.db2.gz PREYZHKRGBBKCR-LBPRGKRZSA-N 1 1 312.335 3.840 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661874055 1023788516 /nfs/dbraw/zinc/78/85/16/1023788516.db2.gz HHNDGHXAOIXZJG-IEBWSBKVSA-N 1 1 317.860 3.973 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000661873198 1023791444 /nfs/dbraw/zinc/79/14/44/1023791444.db2.gz FNZOOKOLVVVAFJ-MJGOQNOKSA-N 1 1 317.860 3.973 20 30 DHEDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](CCC#N)CC(C)C ZINC000787408442 1023793470 /nfs/dbraw/zinc/79/34/70/1023793470.db2.gz UNRODPPDXCFGEY-GDNBJRDFSA-N 1 1 301.390 3.870 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@H](C)CCCC(C)C)C2)C1=O ZINC001170076786 1023812112 /nfs/dbraw/zinc/81/21/12/1023812112.db2.gz BCZWZLLZUWRWFS-MJGOQNOKSA-N 1 1 306.494 3.702 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1 ZINC000787772533 1023820634 /nfs/dbraw/zinc/82/06/34/1023820634.db2.gz IFSRZMWBQUWGSZ-FQEVSTJZSA-N 1 1 315.420 3.892 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1 ZINC000787772533 1023820637 /nfs/dbraw/zinc/82/06/37/1023820637.db2.gz IFSRZMWBQUWGSZ-FQEVSTJZSA-N 1 1 315.420 3.892 20 30 DHEDMO C#CCC1(C(=O)NCCC[N@H+](C)C2CCCCC2)CCCCC1 ZINC000788154999 1023859251 /nfs/dbraw/zinc/85/92/51/1023859251.db2.gz APRBIOBZWRNGKS-UHFFFAOYSA-N 1 1 318.505 3.731 20 30 DHEDMO Cc1[nH+]c(N)ccc1CNc1ccc(C#C[Si](C)(C)C)cc1 ZINC001167786738 1023881694 /nfs/dbraw/zinc/88/16/94/1023881694.db2.gz WRXWUVYUGVCPQC-UHFFFAOYSA-N 1 1 309.489 3.813 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000662081305 1023887740 /nfs/dbraw/zinc/88/77/40/1023887740.db2.gz OHQAFSJGGRUTPY-CWRNSKLLSA-N 1 1 318.848 3.528 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000662081175 1023888085 /nfs/dbraw/zinc/88/80/85/1023888085.db2.gz UQJGECVHVXENPY-SOLBZPMBSA-N 1 1 314.429 3.595 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000662079789 1023889071 /nfs/dbraw/zinc/88/90/71/1023889071.db2.gz MKAPRGPJWKFZHD-KFWWJZLASA-N 1 1 302.393 3.644 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2ccc(CC)cc2)no1 ZINC000662079155 1023889997 /nfs/dbraw/zinc/88/99/97/1023889997.db2.gz KXRPFEDFRZQWAA-CALCHBBNSA-N 1 1 309.413 3.982 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N[C@H](C)c1ccccc1Cl ZINC000662079782 1023890125 /nfs/dbraw/zinc/89/01/25/1023890125.db2.gz NCKREBGARHXTNG-KFWWJZLASA-N 1 1 318.848 3.700 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(Cc2ccccc2C)no1 ZINC000662084315 1023893648 /nfs/dbraw/zinc/89/36/48/1023893648.db2.gz QJKPRENRMAYBML-CALCHBBNSA-N 1 1 309.413 3.652 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(Cc2ccccc2C)no1 ZINC000662084315 1023893656 /nfs/dbraw/zinc/89/36/56/1023893656.db2.gz QJKPRENRMAYBML-CALCHBBNSA-N 1 1 309.413 3.652 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1SC ZINC000662085305 1023894167 /nfs/dbraw/zinc/89/41/67/1023894167.db2.gz CVZNVTUCOZPUII-GASCZTMLSA-N 1 1 316.470 3.920 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H]1Sc2ccccc2NC1=O ZINC000662088551 1023896258 /nfs/dbraw/zinc/89/62/58/1023896258.db2.gz IYTUGAQACLUAFV-JKIFEVAISA-N 1 1 314.454 3.673 20 30 DHEDMO CC(C)OCC[C@@H](C)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001172434771 1033170103 /nfs/dbraw/zinc/17/01/03/1033170103.db2.gz SUXNZYMUYNXLGW-MRVPVSSYSA-N 1 1 313.257 3.613 20 30 DHEDMO Cc1[nH+]c(N)ccc1CNc1cc(CC#N)cc2ccccc21 ZINC001167787650 1023916219 /nfs/dbraw/zinc/91/62/19/1023916219.db2.gz FZPYCIGXGPADJM-UHFFFAOYSA-N 1 1 302.381 3.804 20 30 DHEDMO C#CCOc1ccccc1C[NH2+]Cc1oc2ccccc2c1OC ZINC000788968880 1023955783 /nfs/dbraw/zinc/95/57/83/1023955783.db2.gz CJPRYMAPHHRRDE-UHFFFAOYSA-N 1 1 321.376 3.743 20 30 DHEDMO N#CC1(CC[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)CCCCC1 ZINC000859587519 1033176466 /nfs/dbraw/zinc/17/64/66/1033176466.db2.gz AQRWDPDJFJYPGV-FQEVSTJZSA-N 1 1 312.457 3.834 20 30 DHEDMO CC(C)(C#N)C[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000893552811 1023993793 /nfs/dbraw/zinc/99/37/93/1023993793.db2.gz ZCJNMGFSHMOJTD-UHFFFAOYSA-N 1 1 301.615 3.742 20 30 DHEDMO CC(C)Oc1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)cc1 ZINC000876926087 1033183146 /nfs/dbraw/zinc/18/31/46/1033183146.db2.gz KQRGVCXYUDIAIM-UHFFFAOYSA-N 1 1 315.804 3.684 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000789307352 1024042957 /nfs/dbraw/zinc/04/29/57/1024042957.db2.gz XJLLFRXDSWUQPP-QGZVFWFLSA-N 1 1 300.446 3.615 20 30 DHEDMO CC(C)[N@@H+](CCCSCC#N)Cc1ccc(N(C)C)cc1 ZINC000266770435 1024045057 /nfs/dbraw/zinc/04/50/57/1024045057.db2.gz VTWVKARFMOAZAS-UHFFFAOYSA-N 1 1 305.491 3.610 20 30 DHEDMO C#CCCCCCC[NH2+][C@@H](c1nccn1C)c1ccccc1F ZINC000876921479 1033184862 /nfs/dbraw/zinc/18/48/62/1033184862.db2.gz PXWHBQRAVFWXKQ-GOSISDBHSA-N 1 1 313.420 3.822 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000267995525 1024061636 /nfs/dbraw/zinc/06/16/36/1024061636.db2.gz BNNOFOPVWICGHV-QGZVFWFLSA-N 1 1 310.372 3.718 20 30 DHEDMO CCS[C@@H]1CCCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000264920106 1033190705 /nfs/dbraw/zinc/19/07/05/1033190705.db2.gz LZJDCLJIRSKBHT-QGZVFWFLSA-N 1 1 304.459 3.697 20 30 DHEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000268968305 1024208378 /nfs/dbraw/zinc/20/83/78/1024208378.db2.gz KUKQZYZSIGUYLT-QZTJIDSGSA-N 1 1 300.446 3.613 20 30 DHEDMO CCN(C)c1ccc(C=[NH+]Nc2ccc(OC(F)F)cc2)cn1 ZINC000790165125 1024234578 /nfs/dbraw/zinc/23/45/78/1024234578.db2.gz JVAFNBSFSAIHPK-UHFFFAOYSA-N 1 1 320.343 3.585 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000610133459 1024251493 /nfs/dbraw/zinc/25/14/93/1024251493.db2.gz PMVIZYGMMDMBBN-KBAYOESNSA-N 1 1 316.420 3.723 20 30 DHEDMO CCOc1cccc([C@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000876992103 1033199574 /nfs/dbraw/zinc/19/95/74/1033199574.db2.gz ZISKISNUEYVKRU-LBPRGKRZSA-N 1 1 315.804 3.856 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(C)cc2OC)CC1 ZINC000531719583 1024292565 /nfs/dbraw/zinc/29/25/65/1024292565.db2.gz JLQZIADVJCKSSJ-MRXNPFEDSA-N 1 1 302.462 3.695 20 30 DHEDMO C=CCC[C@@H](COc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000883227480 1024302871 /nfs/dbraw/zinc/30/28/71/1024302871.db2.gz RMOXADFXRWDMIR-QBUWPKIASA-N 1 1 314.473 3.615 20 30 DHEDMO CC(C)Oc1cc(Cl)ccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000883259556 1024332923 /nfs/dbraw/zinc/33/29/23/1024332923.db2.gz QJPLABGVBGYPEQ-UHFFFAOYSA-N 1 1 304.777 3.882 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccccc1C#N ZINC000270050161 1024345855 /nfs/dbraw/zinc/34/58/55/1024345855.db2.gz DXQLQELHTWVWJS-DYESRHJHSA-N 1 1 319.452 3.558 20 30 DHEDMO CC(C)(CCC#N)C[NH2+]CC(F)(F)c1cc(F)cc(F)c1 ZINC000883280815 1024348892 /nfs/dbraw/zinc/34/88/92/1024348892.db2.gz OLDYCARJHPDPQL-UHFFFAOYSA-N 1 1 302.315 3.976 20 30 DHEDMO N#Cc1ccncc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000094157805 1024356477 /nfs/dbraw/zinc/35/64/77/1024356477.db2.gz MCZFNRIRSDEGEG-YQQQUEKLSA-N 1 1 318.424 3.561 20 30 DHEDMO N#CC1(c2ccc(C[NH2+]Cc3cc(O)ccc3Cl)cc2)CC1 ZINC000883324776 1024378469 /nfs/dbraw/zinc/37/84/69/1024378469.db2.gz CUZHYOUERMITBQ-UHFFFAOYSA-N 1 1 312.800 3.891 20 30 DHEDMO CCn1nc(C)c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000271032046 1024447346 /nfs/dbraw/zinc/44/73/46/1024447346.db2.gz DGOBJSRBGOLCCH-UHFFFAOYSA-N 1 1 308.429 3.556 20 30 DHEDMO C=C(C)C[N@@H+](CC[S@](=O)c1ccccc1)Cc1ccccc1 ZINC000348242534 1024533228 /nfs/dbraw/zinc/53/32/28/1024533228.db2.gz RNMHKFPEVDOOPX-QFIPXVFZSA-N 1 1 313.466 3.873 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000274261982 1024566788 /nfs/dbraw/zinc/56/67/88/1024566788.db2.gz CHBMIJXONSLFMR-IEZWGBDMSA-N 1 1 312.457 3.732 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274375341 1024576219 /nfs/dbraw/zinc/57/62/19/1024576219.db2.gz XKFKWAVWWGEZHI-YQVWRLOYSA-N 1 1 314.473 3.616 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCCC[C@H]2CCO)cc1 ZINC000585754962 1024597076 /nfs/dbraw/zinc/59/70/76/1024597076.db2.gz YXWWACPNRJMDKR-SFHVURJKSA-N 1 1 300.446 3.615 20 30 DHEDMO C[C@H](CCCC#N)[NH2+]C[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001172490537 1033222394 /nfs/dbraw/zinc/22/23/94/1033222394.db2.gz HNEHSZMWNYXNKR-GGPKGHCWSA-N 1 1 313.489 3.817 20 30 DHEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CCOc2cccc(C#N)c2)s1 ZINC000106875928 1024606027 /nfs/dbraw/zinc/60/60/27/1024606027.db2.gz FIDSBLMNLMGBGO-ZDUSSCGKSA-N 1 1 315.442 3.703 20 30 DHEDMO CC[C@@H](C(=O)[C@H](C#N)c1nccc2ccccc21)[NH+](CC)CC ZINC000792104784 1024626034 /nfs/dbraw/zinc/62/60/34/1024626034.db2.gz YINCMEFVCSWKJP-SJORKVTESA-N 1 1 309.413 3.531 20 30 DHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000610215707 1024628284 /nfs/dbraw/zinc/62/82/84/1024628284.db2.gz FRVGLEIPGQZFMR-IBGZPJMESA-N 1 1 308.425 3.890 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCC=C(c2ccncc2)C1 ZINC000348836607 1024628580 /nfs/dbraw/zinc/62/85/80/1024628580.db2.gz DTRLPBLUQIWZKP-UHFFFAOYSA-N 1 1 306.409 3.936 20 30 DHEDMO C[C@H](CCCC#N)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001172496943 1033225643 /nfs/dbraw/zinc/22/56/43/1033225643.db2.gz VAIFFTBEUNRSDI-RLLQIKCJSA-N 1 1 311.473 3.665 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC3(CC(OCC)C3)C2)cc1 ZINC000348870247 1024637226 /nfs/dbraw/zinc/63/72/26/1024637226.db2.gz ANJHMKXDONPSJC-UHFFFAOYSA-N 1 1 301.430 3.642 20 30 DHEDMO O[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000792246996 1024652885 /nfs/dbraw/zinc/65/28/85/1024652885.db2.gz UADJVUXKFZFQNX-RTWAWAEBSA-N 1 1 305.421 3.626 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)cc1F ZINC000792246432 1024653008 /nfs/dbraw/zinc/65/30/08/1024653008.db2.gz IIYWSGOOXDPKSI-VQTJNVASSA-N 1 1 324.399 3.785 20 30 DHEDMO O=C(C[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)c1ccccc1 ZINC000792257747 1024656488 /nfs/dbraw/zinc/65/64/88/1024656488.db2.gz BFIOMZGZMLUPJD-FQEVSTJZSA-N 1 1 303.405 3.776 20 30 DHEDMO C#CCCCNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000175216407 1024669883 /nfs/dbraw/zinc/66/98/83/1024669883.db2.gz LRSSIPNNTJISST-UHFFFAOYSA-N 1 1 324.428 3.590 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCO[C@@](C)(c2ccc(Cl)cc2)C1 ZINC001172500365 1033229426 /nfs/dbraw/zinc/22/94/26/1033229426.db2.gz MYXFKDXVPAWVMQ-RHSMWYFYSA-N 1 1 306.837 3.970 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001172500876 1033229573 /nfs/dbraw/zinc/22/95/73/1033229573.db2.gz BLRVTVFUWQQZLN-YJBOKZPZSA-N 1 1 323.481 3.696 20 30 DHEDMO C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)C[N@H+](C)CCCC ZINC000461798950 1033230740 /nfs/dbraw/zinc/23/07/40/1033230740.db2.gz VBEDYYFJIYNNET-KRWDZBQOSA-N 1 1 317.477 3.505 20 30 DHEDMO C=CCCCNc1ccc2c(cc(OC)c(OC)c2OC)[nH+]1 ZINC001170299038 1024730237 /nfs/dbraw/zinc/73/02/37/1024730237.db2.gz YDPJUPSBDOWZGC-UHFFFAOYSA-N 1 1 302.374 3.639 20 30 DHEDMO CCCCCCCC[C@@H](CC)[N@H+]1Cc2ccnn2CC[C@H]1CO ZINC001172502046 1033231974 /nfs/dbraw/zinc/23/19/74/1033231974.db2.gz MWHOZRFKTONNNW-MJGOQNOKSA-N 1 1 321.509 3.979 20 30 DHEDMO COc1ccccc1[C@H](O)C[N@@H+](C(C)C)[C@@H](C)CCCC#N ZINC001172501764 1033232294 /nfs/dbraw/zinc/23/22/94/1033232294.db2.gz RLTPLBSQUWUTBG-DOTOQJQBSA-N 1 1 304.434 3.521 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@H](N3CCCC3)C2)CC1 ZINC001170389237 1024760635 /nfs/dbraw/zinc/76/06/35/1024760635.db2.gz NXFPYKPVZSLJRE-NYLDSWQDSA-N 1 1 323.484 3.561 20 30 DHEDMO N#CC1(c2ccccc2)CCC(N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC001170389237 1024760651 /nfs/dbraw/zinc/76/06/51/1024760651.db2.gz NXFPYKPVZSLJRE-NYLDSWQDSA-N 1 1 323.484 3.561 20 30 DHEDMO N#Cc1c(Cl)cccc1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001139693185 1024762043 /nfs/dbraw/zinc/76/20/43/1024762043.db2.gz SIZUQHGCNZRBOL-UHFFFAOYSA-N 1 1 304.821 3.745 20 30 DHEDMO C[C@@H](CCCC#N)[N@@H+](C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001172509024 1033237331 /nfs/dbraw/zinc/23/73/31/1033237331.db2.gz JCZWNOINQHDVSH-JYJNAYRXSA-N 1 1 323.481 3.836 20 30 DHEDMO C[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCC1=O ZINC001170378919 1024766232 /nfs/dbraw/zinc/76/62/32/1024766232.db2.gz NQVGFLLBXBTILO-PPDQVPDSSA-N 1 1 310.441 3.692 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)CC1 ZINC001170405676 1024770358 /nfs/dbraw/zinc/77/03/58/1024770358.db2.gz NGTQKNCFWBOKND-WHMCQKABSA-N 1 1 322.452 3.692 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1 ZINC000349970865 1024775173 /nfs/dbraw/zinc/77/51/73/1024775173.db2.gz JCFWNPXEQXUKLL-UHFFFAOYSA-N 1 1 314.392 3.724 20 30 DHEDMO COc1ccccc1S[C@@H]1CC[N@H+]([C@H](C)CCCC#N)C1 ZINC001172508676 1033238857 /nfs/dbraw/zinc/23/88/57/1033238857.db2.gz FTHAPFDOFZKYAU-HUUCEWRRSA-N 1 1 304.459 3.944 20 30 DHEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C(C)(C)C1 ZINC000350182327 1024798071 /nfs/dbraw/zinc/79/80/71/1024798071.db2.gz YFJGZSIEMMGVNZ-LBPRGKRZSA-N 1 1 319.836 3.661 20 30 DHEDMO CCCn1cc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cn1 ZINC000350661704 1024837678 /nfs/dbraw/zinc/83/76/78/1024837678.db2.gz SCXSUBVEAJTCJT-UHFFFAOYSA-N 1 1 310.445 3.823 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000350733140 1024848303 /nfs/dbraw/zinc/84/83/03/1024848303.db2.gz XQVFZXONWRFXQD-HOCLYGCPSA-N 1 1 315.465 3.724 20 30 DHEDMO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000350733140 1024848322 /nfs/dbraw/zinc/84/83/22/1024848322.db2.gz XQVFZXONWRFXQD-HOCLYGCPSA-N 1 1 315.465 3.724 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000350733140 1024848338 /nfs/dbraw/zinc/84/83/38/1024848338.db2.gz XQVFZXONWRFXQD-HOCLYGCPSA-N 1 1 315.465 3.724 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CC[N@H+](C[C@H](C)CCC=C(C)C)C2)C1=O ZINC001275068121 1024899523 /nfs/dbraw/zinc/89/95/23/1024899523.db2.gz DITYZZDIAFRWLT-UYAOXDASSA-N 1 1 318.505 3.869 20 30 DHEDMO CC(=NN[C@@H](C)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793115303 1024904214 /nfs/dbraw/zinc/90/42/14/1024904214.db2.gz LZBWLIRAKZEVSG-WMZOPIPTSA-N 1 1 301.478 3.909 20 30 DHEDMO CC(=NN[C@H](C)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793115281 1024904802 /nfs/dbraw/zinc/90/48/02/1024904802.db2.gz LZBWLIRAKZEVSG-AEFFLSMTSA-N 1 1 301.478 3.909 20 30 DHEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](CC)CCCC ZINC001275082791 1024905163 /nfs/dbraw/zinc/90/51/63/1024905163.db2.gz REZGJKLFMLDZSG-RCCFBDPRSA-N 1 1 306.494 3.844 20 30 DHEDMO CCCCCC[N@H+]1CCC[C@]2(CCN(CCCC#N)C2=O)CC1 ZINC001275105674 1024914370 /nfs/dbraw/zinc/91/43/70/1024914370.db2.gz GHJRKESFTAZATG-LJQANCHMSA-N 1 1 319.493 3.575 20 30 DHEDMO C=CCN1c2ccccc2[C@@]2(CC[N@H+](CCCCCC)C2)C1=O ZINC001275106365 1024914404 /nfs/dbraw/zinc/91/44/04/1024914404.db2.gz PCLMUPRWYGPNEY-FQEVSTJZSA-N 1 1 312.457 3.743 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@@]2(CC(=O)N(CCCC)C2=O)C1 ZINC001275110730 1024917179 /nfs/dbraw/zinc/91/71/79/1024917179.db2.gz CWGTUFYSBYVIND-LJQANCHMSA-N 1 1 322.493 3.598 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@H+](CCCCCC)CC2)C1=O ZINC001275110660 1024919006 /nfs/dbraw/zinc/91/90/06/1024919006.db2.gz CCGNQNGPCLNYSZ-LJQANCHMSA-N 1 1 306.494 3.847 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+]2CCCCCCCC)C1=O ZINC001275114716 1024921416 /nfs/dbraw/zinc/92/14/16/1024921416.db2.gz OJMKJVYOZBVYPO-LJQANCHMSA-N 1 1 306.494 3.990 20 30 DHEDMO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCCCCCCC ZINC001275118798 1024922708 /nfs/dbraw/zinc/92/27/08/1024922708.db2.gz KBNPDSQETCVQCM-FQEVSTJZSA-N 1 1 318.505 3.827 20 30 DHEDMO C#CCN1CC[C@]2(CC[N@H+](CCCCCCCCCC)C2)C1=O ZINC001275119993 1024923868 /nfs/dbraw/zinc/92/38/68/1024923868.db2.gz ZURGMFRZWJSWQG-FQEVSTJZSA-N 1 1 318.505 3.685 20 30 DHEDMO CCC[N@@H+](Cc1c(C)nn(CC)c1C)Cc1ccc(C#N)cc1 ZINC000119256613 1024955996 /nfs/dbraw/zinc/95/59/96/1024955996.db2.gz DEFHHXZSHULOBR-UHFFFAOYSA-N 1 1 310.445 3.804 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)cs1 ZINC000893687989 1024972988 /nfs/dbraw/zinc/97/29/88/1024972988.db2.gz PTKSZMQGDKQMFP-GOSISDBHSA-N 1 1 310.422 3.641 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134869363 1033249549 /nfs/dbraw/zinc/24/95/49/1033249549.db2.gz ARCSQHHSPYBHFC-QKYXUNIQSA-N 1 1 309.457 3.568 20 30 DHEDMO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000350457382 1025053835 /nfs/dbraw/zinc/05/38/35/1025053835.db2.gz MTGUOVVSTGRYGO-FQEVSTJZSA-N 1 1 318.424 3.877 20 30 DHEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000350457382 1025053848 /nfs/dbraw/zinc/05/38/48/1025053848.db2.gz MTGUOVVSTGRYGO-FQEVSTJZSA-N 1 1 318.424 3.877 20 30 DHEDMO C=CCc1cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c(O)c(OC)c1 ZINC000793535367 1025081739 /nfs/dbraw/zinc/08/17/39/1025081739.db2.gz WFVLAILIYWFBBS-WBVHZDCISA-N 1 1 323.383 3.606 20 30 DHEDMO C=CCCCCC[C@H](C)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000793532110 1025110578 /nfs/dbraw/zinc/11/05/78/1025110578.db2.gz FMVLMPISWOXYFU-ROUUACIJSA-N 1 1 308.510 3.602 20 30 DHEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000793611828 1025129927 /nfs/dbraw/zinc/12/99/27/1025129927.db2.gz HKUTYBBNHJPKGK-JKSUJKDBSA-N 1 1 324.251 3.714 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@H](CSC)C2)c1O ZINC000793797285 1025167843 /nfs/dbraw/zinc/16/78/43/1025167843.db2.gz NYAVGWQUFABXEH-AWEZNQCLSA-N 1 1 321.486 3.704 20 30 DHEDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000248923962 1025185458 /nfs/dbraw/zinc/18/54/58/1025185458.db2.gz LGHLIBXMHWQZBU-CRAIPNDOSA-N 1 1 323.444 3.671 20 30 DHEDMO CCOC[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135229312 1033265914 /nfs/dbraw/zinc/26/59/14/1033265914.db2.gz MHZLGWNRJZOCDX-INIZCTEOSA-N 1 1 300.446 3.736 20 30 DHEDMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](CCC#N)C1CCCC1 ZINC001170442247 1025220805 /nfs/dbraw/zinc/22/08/05/1025220805.db2.gz KLBWXMSARFQKEA-INIZCTEOSA-N 1 1 314.429 3.895 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000353754754 1025236379 /nfs/dbraw/zinc/23/63/79/1025236379.db2.gz ZTCFNQGEPXMOHO-IBGZPJMESA-N 1 1 301.430 3.644 20 30 DHEDMO C#CCN1CC[C@@]2(CCC[N@@H+]2CCCCCC/C=C\CC)C1=O ZINC001275275444 1025241347 /nfs/dbraw/zinc/24/13/47/1025241347.db2.gz CDNRILAZLXUNJP-PRPIBZDOSA-N 1 1 316.489 3.603 20 30 DHEDMO CO[C@H](C)C[N@@H+](Cc1cccc(OCCCC#N)c1)C(C)C ZINC000353779142 1025245836 /nfs/dbraw/zinc/24/58/36/1025245836.db2.gz GNAMCBIHDKLFQF-MRXNPFEDSA-N 1 1 304.434 3.614 20 30 DHEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(C(F)(F)F)c1 ZINC000352854161 1025281478 /nfs/dbraw/zinc/28/14/78/1025281478.db2.gz QKIPNWXPBSDAJR-SECBINFHSA-N 1 1 311.332 3.884 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001307731212 1025294395 /nfs/dbraw/zinc/29/43/95/1025294395.db2.gz BFSYWOKRJHYEFV-BZUAXINKSA-N 1 1 308.466 3.530 20 30 DHEDMO N#Cc1ccccc1C[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000353986123 1025310084 /nfs/dbraw/zinc/31/00/84/1025310084.db2.gz GZVXQZXONIUIQT-OAQYLSRUSA-N 1 1 320.436 3.820 20 30 DHEDMO Cn1cc(C[N@H+](C)CC(C)(C)C#N)c(-c2ccccc2Cl)n1 ZINC000354039515 1025330080 /nfs/dbraw/zinc/33/00/80/1025330080.db2.gz MXGOJESHSFJHIA-UHFFFAOYSA-N 1 1 316.836 3.722 20 30 DHEDMO Cn1cc(C[N@@H+](C)CC(C)(C)C#N)c(-c2ccccc2Cl)n1 ZINC000354039515 1025330093 /nfs/dbraw/zinc/33/00/93/1025330093.db2.gz MXGOJESHSFJHIA-UHFFFAOYSA-N 1 1 316.836 3.722 20 30 DHEDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000354081394 1025342692 /nfs/dbraw/zinc/34/26/92/1025342692.db2.gz GFCHIUXBQVFZCC-IBGZPJMESA-N 1 1 316.445 4.000 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)CC1(C#N)CCC1 ZINC000885930904 1025409601 /nfs/dbraw/zinc/40/96/01/1025409601.db2.gz LARZVNJQLMPXIO-CYBMUJFWSA-N 1 1 324.877 3.834 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000885937899 1025412701 /nfs/dbraw/zinc/41/27/01/1025412701.db2.gz MKDORPFJLCRKAZ-IRXDYDNUSA-N 1 1 318.848 3.922 20 30 DHEDMO Cc1ccc([C@H](C)[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)c(C)c1 ZINC000885963573 1025421742 /nfs/dbraw/zinc/42/17/42/1025421742.db2.gz OAZNOTYQYAIXRT-IRXDYDNUSA-N 1 1 300.446 3.741 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H](c3ccccc3)CC2)CCC1 ZINC000885983629 1025426490 /nfs/dbraw/zinc/42/64/90/1025426490.db2.gz KYNMKLXTVQVXNG-OALUTQOASA-N 1 1 312.457 3.701 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CCC1 ZINC000886006880 1025435865 /nfs/dbraw/zinc/43/58/65/1025435865.db2.gz YDHGJMUNCPEPEP-NVXWUHKLSA-N 1 1 318.848 3.574 20 30 DHEDMO C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC[C@@H]1c1ccccc1 ZINC000886020484 1025440880 /nfs/dbraw/zinc/44/08/80/1025440880.db2.gz AQJQSHSHEDHDHX-QRQLOZEOSA-N 1 1 312.457 3.557 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)CCC1 ZINC000886033536 1025445337 /nfs/dbraw/zinc/44/53/37/1025445337.db2.gz WOXKOIRBJMTXBF-ZWKOTPCHSA-N 1 1 316.420 3.798 20 30 DHEDMO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC1CC1 ZINC000125629820 1025483373 /nfs/dbraw/zinc/48/33/73/1025483373.db2.gz FXBPRNZWZSQPHV-UHFFFAOYSA-N 1 1 308.429 3.696 20 30 DHEDMO CCOC1C[NH+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C1 ZINC001137899706 1025573868 /nfs/dbraw/zinc/57/38/68/1025573868.db2.gz CYEAWJAGBBAEKB-UHFFFAOYSA-N 1 1 321.424 3.547 20 30 DHEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000886358464 1025602857 /nfs/dbraw/zinc/60/28/57/1025602857.db2.gz VFQZFJVJATUIIP-STQMWFEESA-N 1 1 315.804 3.796 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cnc2onc(C)c2c1 ZINC000893968249 1025630744 /nfs/dbraw/zinc/63/07/44/1025630744.db2.gz GMJVAPGPSIACQL-UHFFFAOYSA-N 1 1 323.396 3.728 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cnc2onc(C)c2c1 ZINC000893968249 1025630757 /nfs/dbraw/zinc/63/07/57/1025630757.db2.gz GMJVAPGPSIACQL-UHFFFAOYSA-N 1 1 323.396 3.728 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)NC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000066872078 1025633068 /nfs/dbraw/zinc/63/30/68/1025633068.db2.gz SDGADCZWOOTEPQ-HNNXBMFYSA-N 1 1 321.424 3.501 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805792685 1025672956 /nfs/dbraw/zinc/67/29/56/1025672956.db2.gz BZCBLNSQTSLONJ-GOSISDBHSA-N 1 1 308.466 3.676 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)O[C@@H](C#N)C(C)C)cc1)C(C)C ZINC000805873572 1025695935 /nfs/dbraw/zinc/69/59/35/1025695935.db2.gz LOFSOKLIXFMTEH-KRWDZBQOSA-N 1 1 302.418 3.622 20 30 DHEDMO CC[C@H](CC#N)OC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000805928928 1025718255 /nfs/dbraw/zinc/71/82/55/1025718255.db2.gz RXJXGVHRBYRBNX-QGZVFWFLSA-N 1 1 302.418 3.766 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC000886619181 1025742552 /nfs/dbraw/zinc/74/25/52/1025742552.db2.gz VUKYFBXSMSIPPC-HOTGVXAUSA-N 1 1 308.347 3.765 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886619331 1025744566 /nfs/dbraw/zinc/74/45/66/1025744566.db2.gz ZUCACAYAQGTCRQ-WFASDCNBSA-N 1 1 312.310 3.862 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886619331 1025744583 /nfs/dbraw/zinc/74/45/83/1025744583.db2.gz ZUCACAYAQGTCRQ-WFASDCNBSA-N 1 1 312.310 3.862 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159966 1025779346 /nfs/dbraw/zinc/77/93/46/1025779346.db2.gz IETJZEMDNWZGED-UHFFFAOYSA-N 1 1 303.409 3.991 20 30 DHEDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)n1 ZINC000614160652 1025782712 /nfs/dbraw/zinc/78/27/12/1025782712.db2.gz SLIYKTKJCOPBFW-MRXNPFEDSA-N 1 1 324.428 3.559 20 30 DHEDMO CC(C)[N@H+]1CCC[C@@H](Oc2cc(Br)cc(C#N)c2)C1 ZINC001229283231 1025793764 /nfs/dbraw/zinc/79/37/64/1025793764.db2.gz MAOXUHPZYMKJIY-CQSZACIVSA-N 1 1 323.234 3.572 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000614182662 1025824328 /nfs/dbraw/zinc/82/43/28/1025824328.db2.gz WCKCQVUQQZYCFU-IBGZPJMESA-N 1 1 319.452 3.947 20 30 DHEDMO COC(=O)c1cc(C[N@H+](C)CCC2(C#N)CCCCC2)oc1C ZINC000411122399 1025837377 /nfs/dbraw/zinc/83/73/77/1025837377.db2.gz ADCKFXNZTTTZIN-UHFFFAOYSA-N 1 1 318.417 3.671 20 30 DHEDMO COC(=O)c1cc(C[N@@H+](C)CCC2(C#N)CCCCC2)oc1C ZINC000411122399 1025837397 /nfs/dbraw/zinc/83/73/97/1025837397.db2.gz ADCKFXNZTTTZIN-UHFFFAOYSA-N 1 1 318.417 3.671 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000135281553 1025837874 /nfs/dbraw/zinc/83/78/74/1025837874.db2.gz OMXPADGFJGBUFS-GOSISDBHSA-N 1 1 310.397 3.654 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000135281553 1025837892 /nfs/dbraw/zinc/83/78/92/1025837892.db2.gz OMXPADGFJGBUFS-GOSISDBHSA-N 1 1 310.397 3.654 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2c(Cl)cccc2OCC)CC1 ZINC000886778495 1025897328 /nfs/dbraw/zinc/89/73/28/1025897328.db2.gz CWYVWOOXJDRRFJ-UHFFFAOYSA-N 1 1 309.837 3.642 20 30 DHEDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000614219125 1025937312 /nfs/dbraw/zinc/93/73/12/1025937312.db2.gz ZEOPQBHBEPOGHN-KDOFPFPSSA-N 1 1 308.429 3.673 20 30 DHEDMO CCc1ccc(C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000763396572 1025967497 /nfs/dbraw/zinc/96/74/97/1025967497.db2.gz OFDLFLWZBXEWAX-NRFANRHFSA-N 1 1 320.436 3.819 20 30 DHEDMO C[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@H]1n1ccnc1 ZINC000411394126 1025979136 /nfs/dbraw/zinc/97/91/36/1025979136.db2.gz WLVRBLDJQPJAJP-DLBZAZTESA-N 1 1 300.450 3.630 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000356507851 1026068526 /nfs/dbraw/zinc/06/85/26/1026068526.db2.gz RPXDNTZMYXIPSQ-MRXNPFEDSA-N 1 1 317.820 3.548 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000356507851 1026068543 /nfs/dbraw/zinc/06/85/43/1026068543.db2.gz RPXDNTZMYXIPSQ-MRXNPFEDSA-N 1 1 317.820 3.548 20 30 DHEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000091081148 1026096899 /nfs/dbraw/zinc/09/68/99/1026096899.db2.gz XKNNLEKOFZHVBT-SFHVURJKSA-N 1 1 324.428 3.504 20 30 DHEDMO C=CC(C)(C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC001131027444 1026105341 /nfs/dbraw/zinc/10/53/41/1026105341.db2.gz LJYFXGBPXSDZNA-SFHVURJKSA-N 1 1 314.473 3.568 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000532967763 1026153476 /nfs/dbraw/zinc/15/34/76/1026153476.db2.gz HRAPZUMCSXAPKX-CYBMUJFWSA-N 1 1 310.388 3.970 20 30 DHEDMO CC[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000532980358 1026162266 /nfs/dbraw/zinc/16/22/66/1026162266.db2.gz LMZHWKWSAVJNSN-LJQANCHMSA-N 1 1 306.409 3.836 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000532978130 1026162404 /nfs/dbraw/zinc/16/24/04/1026162404.db2.gz UHRTUWIEJXWTKX-UHFFFAOYSA-N 1 1 300.324 3.542 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@H+]2CCC2CCCCC2)C1=O ZINC001275501055 1026164900 /nfs/dbraw/zinc/16/49/00/1026164900.db2.gz YPBLKSBTDWEJBS-LJQANCHMSA-N 1 1 304.478 3.600 20 30 DHEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2CCC1CCCCC1 ZINC001275501033 1026165725 /nfs/dbraw/zinc/16/57/25/1026165725.db2.gz YDGBUQJFICLZBR-HXUWFJFHSA-N 1 1 318.505 3.990 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000614397202 1026292519 /nfs/dbraw/zinc/29/25/19/1026292519.db2.gz AUWNYSDQSLUKTC-SFHVURJKSA-N 1 1 320.392 3.933 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000614405931 1026299981 /nfs/dbraw/zinc/29/99/81/1026299981.db2.gz JIVGQDVQKSHRBX-IBGZPJMESA-N 1 1 310.372 3.659 20 30 DHEDMO CCC[N@@H+](CC[C@H](O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000808709742 1026360920 /nfs/dbraw/zinc/36/09/20/1026360920.db2.gz VTXGJLOHVUGFOD-FQEVSTJZSA-N 1 1 308.425 3.894 20 30 DHEDMO CCCCCCCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001131505747 1026423723 /nfs/dbraw/zinc/42/37/23/1026423723.db2.gz YOPYQEYDZZRORG-SFHVURJKSA-N 1 1 302.462 3.595 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513371304 1026489887 /nfs/dbraw/zinc/48/98/87/1026489887.db2.gz NPOBURTYWVDJLZ-MRXNPFEDSA-N 1 1 323.415 3.971 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000809583055 1026566717 /nfs/dbraw/zinc/56/67/17/1026566717.db2.gz HSEWDTWFSSWYKK-NRFANRHFSA-N 1 1 305.421 3.707 20 30 DHEDMO C#Cc1ccc(C[NH2+]Cc2c(F)cccc2OC(F)F)cc1 ZINC000809625227 1026576028 /nfs/dbraw/zinc/57/60/28/1026576028.db2.gz ZMGGNCJPDWJZJW-UHFFFAOYSA-N 1 1 305.299 3.698 20 30 DHEDMO C#Cc1ccc(C[N@H+](Cc2ccccc2)C2CCN(C)CC2)cc1 ZINC000809766610 1026620630 /nfs/dbraw/zinc/62/06/30/1026620630.db2.gz QUOTYBPRTWRWLF-UHFFFAOYSA-N 1 1 318.464 3.764 20 30 DHEDMO C#Cc1ccc(CN(Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000809766610 1026620634 /nfs/dbraw/zinc/62/06/34/1026620634.db2.gz QUOTYBPRTWRWLF-UHFFFAOYSA-N 1 1 318.464 3.764 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 ZINC000810048513 1026669255 /nfs/dbraw/zinc/66/92/55/1026669255.db2.gz ICPZLPQIZPAPMI-HOCLYGCPSA-N 1 1 324.262 3.771 20 30 DHEDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000420927409 1026879778 /nfs/dbraw/zinc/87/97/78/1026879778.db2.gz OGUHRAXVKHGLRD-QGZVFWFLSA-N 1 1 315.417 3.751 20 30 DHEDMO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1CCCC(C)(C)C#N ZINC000420933641 1026883186 /nfs/dbraw/zinc/88/31/86/1026883186.db2.gz WLBSXGLIDYDNQQ-HUUCEWRRSA-N 1 1 308.466 3.759 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000421006531 1026911709 /nfs/dbraw/zinc/91/17/09/1026911709.db2.gz KFBLLRBVQLLFJM-HNNXBMFYSA-N 1 1 306.475 3.720 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000414488626 1026912874 /nfs/dbraw/zinc/91/28/74/1026912874.db2.gz RJBMTSTZMQQPIG-QUCCMNQESA-N 1 1 309.409 3.559 20 30 DHEDMO CC1=C[C@H](C)C[C@@H](C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000811468419 1027007548 /nfs/dbraw/zinc/00/75/48/1027007548.db2.gz PVOMCKWGCNUGFJ-QKYXUNIQSA-N 1 1 310.441 3.924 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1 ZINC000811516832 1027018132 /nfs/dbraw/zinc/01/81/32/1027018132.db2.gz CBBXWKMAXZCRRA-LJQANCHMSA-N 1 1 321.811 3.990 20 30 DHEDMO CC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000811511848 1027027325 /nfs/dbraw/zinc/02/73/25/1027027325.db2.gz VZUAHKOKGHFVAN-DOTOQJQBSA-N 1 1 316.445 3.757 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)cc1OC ZINC000353854338 1027044195 /nfs/dbraw/zinc/04/41/95/1027044195.db2.gz JGFPTXXBWQEIDH-KBPBESRZSA-N 1 1 307.459 3.586 20 30 DHEDMO C[N@@H+]1CC[C@@H](NCc2ccc(C#N)s2)C[C@@H]1c1ccccc1 ZINC000421890996 1027080235 /nfs/dbraw/zinc/08/02/35/1027080235.db2.gz VSMIEMYVYCORKO-CRAIPNDOSA-N 1 1 311.454 3.545 20 30 DHEDMO C[N@H+]1CC[C@@H](NCc2ccc(C#N)s2)C[C@@H]1c1ccccc1 ZINC000421890996 1027080245 /nfs/dbraw/zinc/08/02/45/1027080245.db2.gz VSMIEMYVYCORKO-CRAIPNDOSA-N 1 1 311.454 3.545 20 30 DHEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000362436813 1027206119 /nfs/dbraw/zinc/20/61/19/1027206119.db2.gz HRZOJPYRJZXIHS-QWHCGFSZSA-N 1 1 319.836 3.661 20 30 DHEDMO CCc1ccc([C@@H]2CC[N@@H+](CCOc3cccc(C#N)c3)C2)cc1 ZINC001170669905 1027216425 /nfs/dbraw/zinc/21/64/25/1027216425.db2.gz PUWWRMPRTJJKFG-HXUWFJFHSA-N 1 1 320.436 3.989 20 30 DHEDMO FC(F)(F)SCC[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931910730 1027299088 /nfs/dbraw/zinc/29/90/88/1027299088.db2.gz SEYCEZNJTVMKRO-ZETCQYMHSA-N 1 1 311.266 3.606 20 30 DHEDMO C=CCCCCCCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000812492389 1027300107 /nfs/dbraw/zinc/30/01/07/1027300107.db2.gz FCKRPXLVSQFFSW-JWTNVVGKSA-N 1 1 321.509 3.780 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000932075835 1027358016 /nfs/dbraw/zinc/35/80/16/1027358016.db2.gz RDXCTCVOEYVTIU-GXFFZTMASA-N 1 1 300.349 3.599 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000932075835 1027358029 /nfs/dbraw/zinc/35/80/29/1027358029.db2.gz RDXCTCVOEYVTIU-GXFFZTMASA-N 1 1 300.349 3.599 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000574126751 1027364966 /nfs/dbraw/zinc/36/49/66/1027364966.db2.gz DKLZXGFCGNWLDQ-MSOLQXFVSA-N 1 1 301.430 3.641 20 30 DHEDMO Cn1ccc([C@@H]2CCC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)n1 ZINC000932137502 1027380073 /nfs/dbraw/zinc/38/00/73/1027380073.db2.gz WRTIHMAFBMAXEU-QGZVFWFLSA-N 1 1 322.456 3.601 20 30 DHEDMO CC(C)(C)OC(=O)NCCCCCCC[N@H+]1CCC[C@@H](C#N)C1 ZINC000932153881 1027388299 /nfs/dbraw/zinc/38/82/99/1027388299.db2.gz CALUPZAXVMFNGQ-INIZCTEOSA-N 1 1 323.481 3.697 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)nc1 ZINC000562383186 1027399789 /nfs/dbraw/zinc/39/97/89/1027399789.db2.gz NBZCCUWSECVHDU-QGZVFWFLSA-N 1 1 311.816 3.814 20 30 DHEDMO C#C[C@H](N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccc(F)cc1 ZINC000812792591 1027400494 /nfs/dbraw/zinc/40/04/94/1027400494.db2.gz DWOAUUIBVYDAEO-DQLDELGASA-N 1 1 322.427 3.925 20 30 DHEDMO C#C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(F)cc1 ZINC000812792591 1027400502 /nfs/dbraw/zinc/40/05/02/1027400502.db2.gz DWOAUUIBVYDAEO-DQLDELGASA-N 1 1 322.427 3.925 20 30 DHEDMO C#C[C@H](N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)c1ccc(F)cc1 ZINC000812792594 1027401815 /nfs/dbraw/zinc/40/18/15/1027401815.db2.gz DWOAUUIBVYDAEO-HBGVWJBISA-N 1 1 322.427 3.925 20 30 DHEDMO C#C[C@H]([NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1)c1ccc(F)cc1 ZINC000812792594 1027401818 /nfs/dbraw/zinc/40/18/18/1027401818.db2.gz DWOAUUIBVYDAEO-HBGVWJBISA-N 1 1 322.427 3.925 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)cc1 ZINC000932199082 1027409462 /nfs/dbraw/zinc/40/94/62/1027409462.db2.gz VPGWNKJWFGPISU-QGZVFWFLSA-N 1 1 311.454 3.664 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000295761373 1027418019 /nfs/dbraw/zinc/41/80/19/1027418019.db2.gz RQIQKQXHKWLQKJ-UHFFFAOYSA-N 1 1 318.848 3.729 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccc(F)cc1 ZINC000812793200 1027418544 /nfs/dbraw/zinc/41/85/44/1027418544.db2.gz OLPJNNQRHUEWMN-QGZVFWFLSA-N 1 1 319.326 3.934 20 30 DHEDMO CC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850788 1027445776 /nfs/dbraw/zinc/44/57/76/1027445776.db2.gz XXMRZVLVABRXSQ-FOIQADDNSA-N 1 1 324.424 3.511 20 30 DHEDMO CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812849792 1027445931 /nfs/dbraw/zinc/44/59/31/1027445931.db2.gz JPHFFJRGEPYOOG-YWZLYKJASA-N 1 1 324.424 3.511 20 30 DHEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@H](C)[C@H](O)c1ccccc1 ZINC000812852274 1027448850 /nfs/dbraw/zinc/44/88/50/1027448850.db2.gz FGMSIDMWRNGDTN-KUHUBIRLSA-N 1 1 312.388 3.641 20 30 DHEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812852566 1027448908 /nfs/dbraw/zinc/44/89/08/1027448908.db2.gz HJQAZVHRXKXUKQ-IFXJQAMLSA-N 1 1 312.388 3.641 20 30 DHEDMO C=C(Br)C[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812882415 1027455039 /nfs/dbraw/zinc/45/50/39/1027455039.db2.gz RCUPBHILMZOAAB-ZJUUUORDSA-N 1 1 300.162 3.948 20 30 DHEDMO C=C(Br)C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812882415 1027455045 /nfs/dbraw/zinc/45/50/45/1027455045.db2.gz RCUPBHILMZOAAB-ZJUUUORDSA-N 1 1 300.162 3.948 20 30 DHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)c1 ZINC000576260715 1027593548 /nfs/dbraw/zinc/59/35/48/1027593548.db2.gz MZUAPXJUVZADJM-FQEVSTJZSA-N 1 1 320.436 3.968 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@@H+](CCCC3CCCC3)CC2)C1=O ZINC001275829498 1027606930 /nfs/dbraw/zinc/60/69/30/1027606930.db2.gz CJNWDRYGVHASMY-HXUWFJFHSA-N 1 1 318.505 3.847 20 30 DHEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000932802035 1027609956 /nfs/dbraw/zinc/60/99/56/1027609956.db2.gz QBLFEWLFWNLADA-KZNAEPCWSA-N 1 1 306.494 3.702 20 30 DHEDMO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(F)c1C#N ZINC000813334368 1027611597 /nfs/dbraw/zinc/61/15/97/1027611597.db2.gz HNELAHSHXWALMH-UHFFFAOYSA-N 1 1 311.404 3.785 20 30 DHEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(F)c1C#N ZINC000813334368 1027611602 /nfs/dbraw/zinc/61/16/02/1027611602.db2.gz HNELAHSHXWALMH-UHFFFAOYSA-N 1 1 311.404 3.785 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2cnc(N3CCCC3)nc2)CCCC1(C)C ZINC000576425901 1027613434 /nfs/dbraw/zinc/61/34/34/1027613434.db2.gz QBAITHVFOZDTMX-KRWDZBQOSA-N 1 1 314.477 3.644 20 30 DHEDMO C[N@@H+](CCC(C)(C)C#N)C1CCN(c2cccc(F)c2)CC1 ZINC000363461012 1027642712 /nfs/dbraw/zinc/64/27/12/1027642712.db2.gz LKGHCILKPJQTMM-UHFFFAOYSA-N 1 1 303.425 3.666 20 30 DHEDMO C[C@@]1(Cc2cc(Cl)cs2)CCC[N@H+]1CCOCCC#N ZINC000932917670 1027648379 /nfs/dbraw/zinc/64/83/79/1027648379.db2.gz CECZHUNODVVQBE-HNNXBMFYSA-N 1 1 312.866 3.729 20 30 DHEDMO C[C@]1(Cc2ccc(Cl)s2)CCC[N@H+]1CCOCCC#N ZINC000932920836 1027650815 /nfs/dbraw/zinc/65/08/15/1027650815.db2.gz SMLXMUCXLJVMPO-OAHLLOKOSA-N 1 1 312.866 3.729 20 30 DHEDMO C[C@]1(Cc2cccs2)CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000932924250 1027652450 /nfs/dbraw/zinc/65/24/50/1027652450.db2.gz YAKAPMOOGLEWMX-NVXWUHKLSA-N 1 1 318.486 3.590 20 30 DHEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000933456795 1027740622 /nfs/dbraw/zinc/74/06/22/1027740622.db2.gz NNDYJVXQVSLOHX-IIDMSEBBSA-N 1 1 320.502 3.850 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000577358218 1027756814 /nfs/dbraw/zinc/75/68/14/1027756814.db2.gz AFXRXMSWRKJMMG-AWEZNQCLSA-N 1 1 324.359 3.546 20 30 DHEDMO N#Cc1ccc(C2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000933609456 1027772360 /nfs/dbraw/zinc/77/23/60/1027772360.db2.gz ACPSFYDDYNDOCM-UHFFFAOYSA-N 1 1 311.473 3.614 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933630414 1027783349 /nfs/dbraw/zinc/78/33/49/1027783349.db2.gz SYXDLOQCOJFMCM-SFHVURJKSA-N 1 1 311.429 3.652 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933630414 1027783367 /nfs/dbraw/zinc/78/33/67/1027783367.db2.gz SYXDLOQCOJFMCM-SFHVURJKSA-N 1 1 311.429 3.652 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC=C(c3cncc(F)c3)CC2)cc1F ZINC000365254930 1027911194 /nfs/dbraw/zinc/91/11/94/1027911194.db2.gz JBLSOLLELWNXTJ-UHFFFAOYSA-N 1 1 311.335 3.521 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3cncc(F)c3)CC2)cc1F ZINC000365254930 1027911206 /nfs/dbraw/zinc/91/12/06/1027911206.db2.gz JBLSOLLELWNXTJ-UHFFFAOYSA-N 1 1 311.335 3.521 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000779031687 1027935251 /nfs/dbraw/zinc/93/52/51/1027935251.db2.gz FQOPLHKORBBTOI-MSOLQXFVSA-N 1 1 310.372 3.803 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@@H](c2ccnc(COC)n2)C1 ZINC000365485937 1027955357 /nfs/dbraw/zinc/95/53/57/1027955357.db2.gz UNWGLEOZJBMIGE-MRXNPFEDSA-N 1 1 305.466 3.773 20 30 DHEDMO N#CC1(CCCC[N@H+]2CC[C@H](Cc3nccs3)C2)CCC1 ZINC000934328474 1027967676 /nfs/dbraw/zinc/96/76/76/1027967676.db2.gz JMZMUJKBXMKKAU-OAHLLOKOSA-N 1 1 303.475 3.872 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2C)nc1 ZINC000934343213 1027975535 /nfs/dbraw/zinc/97/55/35/1027975535.db2.gz IEJYSEMXPOQIOM-LJQANCHMSA-N 1 1 307.397 3.607 20 30 DHEDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000365677755 1027993731 /nfs/dbraw/zinc/99/37/31/1027993731.db2.gz ZKQNVWKILUFPOQ-KRWDZBQOSA-N 1 1 322.456 3.601 20 30 DHEDMO C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000448719494 1028013760 /nfs/dbraw/zinc/01/37/60/1028013760.db2.gz JUARXXNIUZCNDI-KHYOSLBOSA-N 1 1 311.429 3.549 20 30 DHEDMO C=CC[C@H](C(=O)N[C@@H](C)C[N@H+](CC)CCC)c1ccccc1 ZINC000578105474 1028053119 /nfs/dbraw/zinc/05/31/19/1028053119.db2.gz CVRNAYKUEWXRBP-WMZOPIPTSA-N 1 1 302.462 3.583 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N2CC[C@H](C[N@H+](C)CC)C2)c1 ZINC000934878155 1028135740 /nfs/dbraw/zinc/13/57/40/1028135740.db2.gz UTDPWRKULQWALD-OAHLLOKOSA-N 1 1 301.434 3.525 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N2CC[C@H](C[N@H+](C)CCC)C2)c1 ZINC000934878418 1028136468 /nfs/dbraw/zinc/13/64/68/1028136468.db2.gz XMDGOBMINVELGE-MRXNPFEDSA-N 1 1 315.461 3.915 20 30 DHEDMO C=C(C)c1cccc(NC(=O)NC[C@@H]2CC[N@H+](CCC)C2)c1 ZINC000934879400 1028136801 /nfs/dbraw/zinc/13/68/01/1028136801.db2.gz RDLWPGYAFTZEQW-HNNXBMFYSA-N 1 1 301.434 3.573 20 30 DHEDMO C=C(C)c1cccc(NC(=O)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000934886234 1028143434 /nfs/dbraw/zinc/14/34/34/1028143434.db2.gz GGPBWYZAQMYMDQ-OAHLLOKOSA-N 1 1 301.434 3.573 20 30 DHEDMO N#Cc1ccc(NCc2c[nH+]c3n2CCCC3)c(C(F)(F)F)c1 ZINC000367421039 1028186046 /nfs/dbraw/zinc/18/60/46/1028186046.db2.gz XPQXJFFTASEGTK-UHFFFAOYSA-N 1 1 320.318 3.722 20 30 DHEDMO CC[C@H]1CC[C@@H](C)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000367579136 1028207657 /nfs/dbraw/zinc/20/76/57/1028207657.db2.gz XRZLJSRGHGERTO-KGLIPLIRSA-N 1 1 310.401 3.619 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000367872653 1028255368 /nfs/dbraw/zinc/25/53/68/1028255368.db2.gz HWAULVTUUIGLPZ-KSSFIOAISA-N 1 1 307.397 3.545 20 30 DHEDMO C[C@@H]1C(=NO[C@H]2CCCCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000814886971 1028261531 /nfs/dbraw/zinc/26/15/31/1028261531.db2.gz DETYAOMSZUPDIB-QAPCUYQASA-N 1 1 302.418 3.570 20 30 DHEDMO C[C@H]1C(=NO[C@H]2CCCCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000814886973 1028263867 /nfs/dbraw/zinc/26/38/67/1028263867.db2.gz DETYAOMSZUPDIB-YJBOKZPZSA-N 1 1 302.418 3.570 20 30 DHEDMO Oc1ccc2c(c1)OC1(CCCCC1)CC2=NNc1cc[nH+]cc1 ZINC000814899584 1028268228 /nfs/dbraw/zinc/26/82/28/1028268228.db2.gz CNLHIOVZUWZCLH-UHFFFAOYSA-N 1 1 323.396 3.511 20 30 DHEDMO CC(=NNc1c(C)cccc1F)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814905041 1028273298 /nfs/dbraw/zinc/27/32/98/1028273298.db2.gz LTNXYBOZODEXBK-UHFFFAOYSA-N 1 1 311.404 3.658 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(CO)ccc1F ZINC000528348896 1028330527 /nfs/dbraw/zinc/33/05/27/1028330527.db2.gz FYYIGPYYHDVQBT-UHFFFAOYSA-N 1 1 312.388 3.602 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CNCc1cc2cccnc2o1)C(C)C ZINC000449073579 1028337148 /nfs/dbraw/zinc/33/71/48/1028337148.db2.gz JKLPKFOPOFBYQZ-SFHVURJKSA-N 1 1 313.445 3.616 20 30 DHEDMO CC[C@H]1c2cccn2CC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000368334488 1028340543 /nfs/dbraw/zinc/34/05/43/1028340543.db2.gz VNXZTCFYJFCEGU-QAPCUYQASA-N 1 1 309.413 3.746 20 30 DHEDMO CC[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000368334488 1028340555 /nfs/dbraw/zinc/34/05/55/1028340555.db2.gz VNXZTCFYJFCEGU-QAPCUYQASA-N 1 1 309.413 3.746 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCCC23CCOCC3)cc1 ZINC000368470900 1028357972 /nfs/dbraw/zinc/35/79/72/1028357972.db2.gz PQQPCVXQYKKBGN-UHFFFAOYSA-N 1 1 323.358 3.702 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000369516943 1028497167 /nfs/dbraw/zinc/49/71/67/1028497167.db2.gz LRBPCFUGXLHUFK-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000369516943 1028497176 /nfs/dbraw/zinc/49/71/76/1028497176.db2.gz LRBPCFUGXLHUFK-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO C[N@H+]1CC[C@H](C[NH2+]CC(C)(C)CCC#N)[C@H]1c1cccs1 ZINC000369671812 1028516978 /nfs/dbraw/zinc/51/69/78/1028516978.db2.gz JQYQOJSWEAQCKV-ZBFHGGJFSA-N 1 1 305.491 3.660 20 30 DHEDMO CN1CC[C@H](C[NH2+]CC(C)(C)CCC#N)[C@H]1c1cccs1 ZINC000369671812 1028516987 /nfs/dbraw/zinc/51/69/87/1028516987.db2.gz JQYQOJSWEAQCKV-ZBFHGGJFSA-N 1 1 305.491 3.660 20 30 DHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565046475 1028531864 /nfs/dbraw/zinc/53/18/64/1028531864.db2.gz LCONUJGXIOEFAK-LSDHHAIUSA-N 1 1 319.430 3.572 20 30 DHEDMO C=CCCCC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000370067525 1028560725 /nfs/dbraw/zinc/56/07/25/1028560725.db2.gz ZKEDGZOXXLUEIT-MAUKXSAKSA-N 1 1 320.864 3.805 20 30 DHEDMO COc1cccc([C@@H]2C[N@@H+](Cc3ccnc(C#N)c3)CC2(C)C)c1 ZINC000528626919 1028617861 /nfs/dbraw/zinc/61/78/61/1028617861.db2.gz SOSSBGXDIKXXBO-IBGZPJMESA-N 1 1 321.424 3.587 20 30 DHEDMO Cc1cc(C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)ccc1C#N ZINC000449459684 1028663255 /nfs/dbraw/zinc/66/32/55/1028663255.db2.gz YJXRCFYPQJWKOY-SFHVURJKSA-N 1 1 314.816 3.686 20 30 DHEDMO CCOc1ccc(C[N@@H+](Cc2ccc(C#N)cn2)C(C)C)cc1 ZINC000566419642 1028720496 /nfs/dbraw/zinc/72/04/96/1028720496.db2.gz WVODDRAZWZWHIP-UHFFFAOYSA-N 1 1 309.413 3.763 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCc4ccccc4O3)C2)s1 ZINC000528731269 1028736463 /nfs/dbraw/zinc/73/64/63/1028736463.db2.gz SRNOFBFTLLPDIU-IBGZPJMESA-N 1 1 324.449 3.980 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCSC[C@@H]2C2CC2)c1 ZINC000449529291 1028740841 /nfs/dbraw/zinc/74/08/41/1028740841.db2.gz WDCMOGOOJXWEHY-GOSISDBHSA-N 1 1 316.470 3.697 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000449546071 1028776982 /nfs/dbraw/zinc/77/69/82/1028776982.db2.gz ZYAOKPRDCZGAIE-WOJBJXKFSA-N 1 1 310.441 3.990 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccsc2)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000372405885 1028851734 /nfs/dbraw/zinc/85/17/34/1028851734.db2.gz ZRLBPAXUSPXXOH-CZUORRHYSA-N 1 1 322.437 3.645 20 30 DHEDMO C=CCCCC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816453709 1028875503 /nfs/dbraw/zinc/87/55/03/1028875503.db2.gz SZAMVWFCLJHPSF-SJLPKXTDSA-N 1 1 301.430 3.797 20 30 DHEDMO C=CCC[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C(=O)OCC ZINC000449658022 1028889389 /nfs/dbraw/zinc/88/93/89/1028889389.db2.gz RWHQWFRWVOENSF-GXTWGEPZSA-N 1 1 303.393 3.688 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cn1cc(-c2ccccc2)cn1 ZINC000778585008 1028884381 /nfs/dbraw/zinc/88/43/81/1028884381.db2.gz LNGMBVZFYBRVLL-UHFFFAOYSA-N 1 1 307.397 3.831 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cn1cc(-c2ccccc2)cn1 ZINC000778585008 1028884396 /nfs/dbraw/zinc/88/43/96/1028884396.db2.gz LNGMBVZFYBRVLL-UHFFFAOYSA-N 1 1 307.397 3.831 20 30 DHEDMO N#Cc1ccc(C(F)(F)F)c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000372702031 1028884752 /nfs/dbraw/zinc/88/47/52/1028884752.db2.gz FTUQPMFLZHHAAH-OLZOCXBDSA-N 1 1 309.335 3.616 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc(CC#N)cc1Cl)[NH+]1[C@H](C)CC[C@H]1C ZINC000567469857 1028899068 /nfs/dbraw/zinc/89/90/68/1028899068.db2.gz QNDXPIFOPQYWSM-UPJWGTAASA-N 1 1 319.836 3.606 20 30 DHEDMO CC[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2s1)[NH+](CC)CC ZINC000778600040 1028934827 /nfs/dbraw/zinc/93/48/27/1028934827.db2.gz WDHGOPWRTNVBFV-JSGCOSHPSA-N 1 1 315.442 3.593 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)cc1 ZINC000816622153 1028969107 /nfs/dbraw/zinc/96/91/07/1028969107.db2.gz YFLMWTRWJMFCCD-DNVCBOLYSA-N 1 1 321.424 3.956 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC(C)(C)[C@H]2c2ccncc2)cc1 ZINC000816622153 1028969126 /nfs/dbraw/zinc/96/91/26/1028969126.db2.gz YFLMWTRWJMFCCD-DNVCBOLYSA-N 1 1 321.424 3.956 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000567968635 1028986870 /nfs/dbraw/zinc/98/68/70/1028986870.db2.gz SLSMQIOYTRHDGM-NRFANRHFSA-N 1 1 303.405 3.508 20 30 DHEDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)c1ccc(C#N)cc1Cl ZINC000567970945 1028987621 /nfs/dbraw/zinc/98/76/21/1028987621.db2.gz PAUFAVWMPSCHSO-ZIAGYGMSSA-N 1 1 307.869 3.983 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC=C(c2cnccc2C)CC1 ZINC000373413276 1029038498 /nfs/dbraw/zinc/03/84/98/1029038498.db2.gz PWMSMQRVDLWRNT-UHFFFAOYSA-N 1 1 319.408 3.560 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+]1CC=C(c2cnccc2C)CC1 ZINC000373413276 1029038514 /nfs/dbraw/zinc/03/85/14/1029038514.db2.gz PWMSMQRVDLWRNT-UHFFFAOYSA-N 1 1 319.408 3.560 20 30 DHEDMO Cc1ccnc([C@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)c1 ZINC000568289525 1029040903 /nfs/dbraw/zinc/04/09/03/1029040903.db2.gz ITAMOHBGXFREME-KRWDZBQOSA-N 1 1 310.828 3.884 20 30 DHEDMO Cc1ccnc([C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)c1 ZINC000568289525 1029040921 /nfs/dbraw/zinc/04/09/21/1029040921.db2.gz ITAMOHBGXFREME-KRWDZBQOSA-N 1 1 310.828 3.884 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1OC ZINC000628422768 1029049793 /nfs/dbraw/zinc/04/97/93/1029049793.db2.gz JZCLTWRJHUIRBX-CVEARBPZSA-N 1 1 319.470 3.730 20 30 DHEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CCCC1 ZINC000628543662 1029090496 /nfs/dbraw/zinc/09/04/96/1029090496.db2.gz DCZRPAIALXYKCR-QGZVFWFLSA-N 1 1 304.478 3.646 20 30 DHEDMO CCCCCCCCCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000779331126 1029095478 /nfs/dbraw/zinc/09/54/78/1029095478.db2.gz SJRSCFSUBNVTJR-QZTJIDSGSA-N 1 1 323.525 3.863 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000411325140 1029102553 /nfs/dbraw/zinc/10/25/53/1029102553.db2.gz NQCFRMNWXMDLBK-ZIAGYGMSSA-N 1 1 303.475 3.894 20 30 DHEDMO C[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@H]1n1ccnc1 ZINC000411394128 1029120003 /nfs/dbraw/zinc/12/00/03/1029120003.db2.gz WLVRBLDJQPJAJP-IAGOWNOFSA-N 1 1 300.450 3.630 20 30 DHEDMO COc1ccc([C@H](Cc2ccccc2C)[NH2+]CCC#N)cc1OC ZINC000411458854 1029134028 /nfs/dbraw/zinc/13/40/28/1029134028.db2.gz RDOKBNNUHTZTMS-SFHVURJKSA-N 1 1 324.424 3.799 20 30 DHEDMO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)cc1C#N ZINC000373826154 1029146022 /nfs/dbraw/zinc/14/60/22/1029146022.db2.gz XAJKKHTUAXAREF-QGZVFWFLSA-N 1 1 320.396 3.765 20 30 DHEDMO Cn1cc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)cc1C#N ZINC000373826154 1029146025 /nfs/dbraw/zinc/14/60/25/1029146025.db2.gz XAJKKHTUAXAREF-QGZVFWFLSA-N 1 1 320.396 3.765 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CCCC(C)(C)C#N)C1 ZINC000373914176 1029168561 /nfs/dbraw/zinc/16/85/61/1029168561.db2.gz UTWBFOPNMYDUCJ-BDXSIMOUSA-N 1 1 306.494 3.968 20 30 DHEDMO CC[C@@H](C)[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000155480330 1029236897 /nfs/dbraw/zinc/23/68/97/1029236897.db2.gz SZGAONYSHMUEMV-UZLBHIALSA-N 1 1 308.425 3.892 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000569694122 1029248660 /nfs/dbraw/zinc/24/86/60/1029248660.db2.gz JYVAZBFEGVMMOZ-PKOBYXMFSA-N 1 1 301.430 3.642 20 30 DHEDMO COc1ccc([C@H]2CCC[N@@H+]2CC2(C#N)CCC2)cc1OC ZINC000450221836 1029276798 /nfs/dbraw/zinc/27/67/98/1029276798.db2.gz WQPQWCJDPKNKOO-OAHLLOKOSA-N 1 1 300.402 3.535 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2CC2(C#N)CCC2)cc1OC ZINC000450221836 1029276811 /nfs/dbraw/zinc/27/68/11/1029276811.db2.gz WQPQWCJDPKNKOO-OAHLLOKOSA-N 1 1 300.402 3.535 20 30 DHEDMO C#CC[N@H+](Cc1cccc(SC(=O)N(C)C)c1)C1CCCC1 ZINC000155751271 1029294012 /nfs/dbraw/zinc/29/40/12/1029294012.db2.gz UIJYEFKOFOUHBU-UHFFFAOYSA-N 1 1 316.470 3.838 20 30 DHEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Br)s1 ZINC000570001669 1029298593 /nfs/dbraw/zinc/29/85/93/1029298593.db2.gz VUINYMBWKBQPJI-VHSXEESVSA-N 1 1 312.236 3.605 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000817970755 1029310093 /nfs/dbraw/zinc/31/00/93/1029310093.db2.gz DLPJZUNYKWNPLC-IJEWVQPXSA-N 1 1 308.853 3.609 20 30 DHEDMO C=C(Br)CN1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000374404687 1029326330 /nfs/dbraw/zinc/32/63/30/1029326330.db2.gz KHTXYJQDRJLYOJ-ZDUSSCGKSA-N 1 1 312.255 3.552 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)[C@H](C)c1ccccc1 ZINC000450297995 1029333105 /nfs/dbraw/zinc/33/31/05/1029333105.db2.gz KXIORZUNGGHQMG-UTKZUKDTSA-N 1 1 320.436 3.711 20 30 DHEDMO CCCCCCCCC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC001136159623 1029434431 /nfs/dbraw/zinc/43/44/31/1029434431.db2.gz DRQQXEVCXKTPBG-UHFFFAOYSA-N 1 1 316.489 3.912 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC=C(c3cncc(F)c3)CC2)ccc1F ZINC000374801520 1029461195 /nfs/dbraw/zinc/46/11/95/1029461195.db2.gz SDRPKOMNOXKRBA-UHFFFAOYSA-N 1 1 311.335 3.521 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CC=C(c3cncc(F)c3)CC2)ccc1F ZINC000374801520 1029461204 /nfs/dbraw/zinc/46/12/04/1029461204.db2.gz SDRPKOMNOXKRBA-UHFFFAOYSA-N 1 1 311.335 3.521 20 30 DHEDMO N#CC1(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000450616871 1029581071 /nfs/dbraw/zinc/58/10/71/1029581071.db2.gz SBBVALGNMRVVMH-LSDHHAIUSA-N 1 1 324.346 3.507 20 30 DHEDMO N#CC1(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000450616871 1029581078 /nfs/dbraw/zinc/58/10/78/1029581078.db2.gz SBBVALGNMRVVMH-LSDHHAIUSA-N 1 1 324.346 3.507 20 30 DHEDMO C=C(C)C(C)(C)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819521851 1029586565 /nfs/dbraw/zinc/58/65/65/1029586565.db2.gz JOLXDIZFKJQMOC-FQEVSTJZSA-N 1 1 314.473 3.617 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](C[C@H]3CCCCC3(F)F)CCO2)c1 ZINC000450653171 1029597491 /nfs/dbraw/zinc/59/74/91/1029597491.db2.gz VMCBUSANWGDGID-IAGOWNOFSA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](C[C@H]3CCCCC3(F)F)CCO2)c1 ZINC000450653171 1029597498 /nfs/dbraw/zinc/59/74/98/1029597498.db2.gz VMCBUSANWGDGID-IAGOWNOFSA-N 1 1 320.383 3.757 20 30 DHEDMO C[N@@H+](CC1(C#N)CCC1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000450748174 1029633075 /nfs/dbraw/zinc/63/30/75/1029633075.db2.gz VWFQTRBCDWOWSE-DLBZAZTESA-N 1 1 302.393 3.671 20 30 DHEDMO C[C@H](CNc1c(F)cc(C#N)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000347327482 1029731390 /nfs/dbraw/zinc/73/13/90/1029731390.db2.gz XGYKPZYUZFMXSM-CYBMUJFWSA-N 1 1 315.367 3.769 20 30 DHEDMO C=C(CC(C)C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001136355364 1029744077 /nfs/dbraw/zinc/74/40/77/1029744077.db2.gz TURZGGIGOOMPPQ-UHFFFAOYSA-N 1 1 306.494 3.703 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451004442 1029763436 /nfs/dbraw/zinc/76/34/36/1029763436.db2.gz NMPMYLUVAIIXCF-OAHLLOKOSA-N 1 1 311.816 3.986 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451004442 1029763444 /nfs/dbraw/zinc/76/34/44/1029763444.db2.gz NMPMYLUVAIIXCF-OAHLLOKOSA-N 1 1 311.816 3.986 20 30 DHEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@]2(C)CC(C)C)c(C#N)c1C ZINC000451291445 1029840359 /nfs/dbraw/zinc/84/03/59/1029840359.db2.gz OTQHZHCMWBKXPI-SFHVURJKSA-N 1 1 317.433 3.607 20 30 DHEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CCOc1ccccc1C#N ZINC000451425842 1029873840 /nfs/dbraw/zinc/87/38/40/1029873840.db2.gz YRXBMRVOJRSJQK-JSGCOSHPSA-N 1 1 312.335 3.600 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000451646013 1029950682 /nfs/dbraw/zinc/95/06/82/1029950682.db2.gz CVEBNIWKNZDKEO-KRWDZBQOSA-N 1 1 300.471 3.815 20 30 DHEDMO COc1ccc2c(c1)C[N@H+]([C@@H](C)c1ccc(C#N)cc1)CCO2 ZINC000451640505 1029959059 /nfs/dbraw/zinc/95/90/59/1029959059.db2.gz DUVCMZRSMRIVAS-AWEZNQCLSA-N 1 1 308.381 3.522 20 30 DHEDMO COc1ccc2c(c1)C[N@@H+]([C@@H](C)c1ccc(C#N)cc1)CCO2 ZINC000451640505 1029959062 /nfs/dbraw/zinc/95/90/62/1029959062.db2.gz DUVCMZRSMRIVAS-AWEZNQCLSA-N 1 1 308.381 3.522 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+](CC/C=C\CC)CC2)C1=O ZINC001276258269 1029964613 /nfs/dbraw/zinc/96/46/13/1029964613.db2.gz DKXRPIWLHXTPMZ-VOFKWLDRSA-N 1 1 304.478 3.623 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(CNc2nc3c(cc2C#N)CCC3)c1 ZINC000357308088 1029989111 /nfs/dbraw/zinc/98/91/11/1029989111.db2.gz PMQYHAAWNDOCMW-UHFFFAOYSA-N 1 1 320.440 3.506 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](C)CC1 ZINC000357393817 1030029897 /nfs/dbraw/zinc/02/98/97/1030029897.db2.gz XPXQNIXIJXERAC-STQMWFEESA-N 1 1 319.836 3.661 20 30 DHEDMO N#CC1(CCC[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)CCOCC1 ZINC000451867636 1030045746 /nfs/dbraw/zinc/04/57/46/1030045746.db2.gz ZGNQTDVGIBRUIH-KRWDZBQOSA-N 1 1 314.429 3.907 20 30 DHEDMO N#Cc1c(C[N@H+]2CCC[C@]3(CCSC3)C2)cn2ccccc12 ZINC000451967907 1030070678 /nfs/dbraw/zinc/07/06/78/1030070678.db2.gz RPYQITHQEKZITR-SFHVURJKSA-N 1 1 311.454 3.530 20 30 DHEDMO CC[C@@H](C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000533080488 1030125088 /nfs/dbraw/zinc/12/50/88/1030125088.db2.gz PWNFXNCPWWVMQA-CQSZACIVSA-N 1 1 302.418 3.500 20 30 DHEDMO CC[C@@H](C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000533080488 1030125096 /nfs/dbraw/zinc/12/50/96/1030125096.db2.gz PWNFXNCPWWVMQA-CQSZACIVSA-N 1 1 302.418 3.500 20 30 DHEDMO C[C@H]([NH2+]Cc1ccccc1OCC1CC1)c1cccc(C#N)c1O ZINC000866270742 1030192129 /nfs/dbraw/zinc/19/21/29/1030192129.db2.gz UGEPIGWXJBEKMJ-AWEZNQCLSA-N 1 1 322.408 3.903 20 30 DHEDMO C=CCC[C@@H](NC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000357851744 1030222385 /nfs/dbraw/zinc/22/23/85/1030222385.db2.gz VQPBNHIGKFGNKZ-SJLPKXTDSA-N 1 1 317.477 3.722 20 30 DHEDMO COCC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc(C)o1 ZINC000866337437 1030237205 /nfs/dbraw/zinc/23/72/05/1030237205.db2.gz RUSMIJJHJBIYJZ-CJNGLKHVSA-N 1 1 314.385 3.594 20 30 DHEDMO N#CCCC[C@H]([NH3+])c1nc(Cc2cc3ccccc3s2)no1 ZINC000823263400 1030242176 /nfs/dbraw/zinc/24/21/76/1030242176.db2.gz IBIWPOJSBBPOJE-ZDUSSCGKSA-N 1 1 312.398 3.569 20 30 DHEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(C)c1 ZINC001275579430 1030335023 /nfs/dbraw/zinc/33/50/23/1030335023.db2.gz UCDZLWPMVLXYIG-FQEVSTJZSA-N 1 1 312.457 3.528 20 30 DHEDMO CCC[N@@H+](Cc1ccccc1O)Cc1ccc(C#N)cc1OC ZINC000121093438 1030335481 /nfs/dbraw/zinc/33/54/81/1030335481.db2.gz TZARNKVXJDCARP-UHFFFAOYSA-N 1 1 310.397 3.685 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000823617570 1030340728 /nfs/dbraw/zinc/34/07/28/1030340728.db2.gz KFCVVNVIKLXGMT-MRXNPFEDSA-N 1 1 319.408 3.892 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1c(F)cccc1F ZINC000823617754 1030341644 /nfs/dbraw/zinc/34/16/44/1030341644.db2.gz MFJVEABHPLEVEH-SJCJKPOMSA-N 1 1 316.351 3.563 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccc(F)c(F)c1 ZINC000823616627 1030342455 /nfs/dbraw/zinc/34/24/55/1030342455.db2.gz BGWVABXITQNGOI-SGTLLEGYSA-N 1 1 316.351 3.563 20 30 DHEDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000805839771 1030398387 /nfs/dbraw/zinc/39/83/87/1030398387.db2.gz SHCLZHGUDQGUBW-FHLIZLRMSA-N 1 1 300.446 3.738 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000121150271 1030400282 /nfs/dbraw/zinc/40/02/82/1030400282.db2.gz MWYIZTNKZPPYOA-UHFFFAOYSA-N 1 1 314.401 3.838 20 30 DHEDMO C[C@@H](C[N@H+](CC#Cc1ccccc1)[C@@H](C)CO)c1ccccc1 ZINC000558146768 1030437614 /nfs/dbraw/zinc/43/76/14/1030437614.db2.gz UBUOPTGDITXVEL-OALUTQOASA-N 1 1 307.437 3.525 20 30 DHEDMO N#CCCCOc1cccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000925753544 1030482506 /nfs/dbraw/zinc/48/25/06/1030482506.db2.gz BWALLKJJKRLQCA-RTBURBONSA-N 1 1 313.445 3.798 20 30 DHEDMO N#Cc1cccc2c1CC[C@H]2Nc1cc(OC(F)F)cc[nH+]1 ZINC001171067796 1030642444 /nfs/dbraw/zinc/64/24/44/1030642444.db2.gz CZABHOCOTRIBAA-CQSZACIVSA-N 1 1 301.296 3.654 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000246902111 1030662773 /nfs/dbraw/zinc/66/27/73/1030662773.db2.gz UJORQVZNALTVQS-VQIMIIECSA-N 1 1 311.429 3.531 20 30 DHEDMO N#CCCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248163824 1030722511 /nfs/dbraw/zinc/72/25/11/1030722511.db2.gz SPLUVZJGMHXQFY-VQTJNVASSA-N 1 1 311.473 3.667 20 30 DHEDMO N#CCCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248163824 1030722529 /nfs/dbraw/zinc/72/25/29/1030722529.db2.gz SPLUVZJGMHXQFY-VQTJNVASSA-N 1 1 311.473 3.667 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000076989626 1030834121 /nfs/dbraw/zinc/83/41/21/1030834121.db2.gz FLCIEHOFMBKUPD-GOEBONIOSA-N 1 1 306.475 3.698 20 30 DHEDMO COCCCCc1ccc[nH+]c1NCc1ccc(C#N)c(C)c1 ZINC000359468369 1030978923 /nfs/dbraw/zinc/97/89/23/1030978923.db2.gz OFCVUZORQQHYPB-UHFFFAOYSA-N 1 1 309.413 3.843 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000359467816 1030979255 /nfs/dbraw/zinc/97/92/55/1030979255.db2.gz RNNAYXDAQHAICT-IJEWVQPXSA-N 1 1 301.409 3.539 20 30 DHEDMO COC1(CC[N@H+](Cc2ccc(C#N)cc2)CC(C)C)CCC1 ZINC000559066989 1031082196 /nfs/dbraw/zinc/08/21/96/1031082196.db2.gz CPVCGVRJTCULPT-UHFFFAOYSA-N 1 1 300.446 3.975 20 30 DHEDMO CCOc1c(F)cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1F ZINC001144030763 1031169667 /nfs/dbraw/zinc/16/96/67/1031169667.db2.gz MKEPICOLRRBNKQ-DEZZGGKRSA-N 1 1 306.356 3.630 20 30 DHEDMO CCOc1c(F)cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1F ZINC001144030763 1031169676 /nfs/dbraw/zinc/16/96/76/1031169676.db2.gz MKEPICOLRRBNKQ-DEZZGGKRSA-N 1 1 306.356 3.630 20 30 DHEDMO CSC(C)(C)CC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC001308795982 1031193737 /nfs/dbraw/zinc/19/37/37/1031193737.db2.gz ZEIKEJCMBSIBPN-UHFFFAOYSA-N 1 1 306.475 3.538 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171136135 1031228874 /nfs/dbraw/zinc/22/88/74/1031228874.db2.gz RQZVIQPJNZHWSB-BIMQEMHKSA-N 1 1 300.833 3.964 20 30 DHEDMO CC[C@@H](C)Oc1cc(C[NH+]2CCC(C#N)CC2)ccc1OC ZINC000123682512 1031238384 /nfs/dbraw/zinc/23/83/84/1031238384.db2.gz UKXWQJRIHDPWPU-CQSZACIVSA-N 1 1 302.418 3.608 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c(O)c(OC)c1 ZINC000844746645 1031308855 /nfs/dbraw/zinc/30/88/55/1031308855.db2.gz NKOFHANRFPZAGR-KRWDZBQOSA-N 1 1 323.383 3.751 20 30 DHEDMO C=C(CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC)c1ccccc1 ZINC000360221032 1031334104 /nfs/dbraw/zinc/33/41/04/1031334104.db2.gz KXEPITRZEJZAHG-IBGZPJMESA-N 1 1 308.425 3.509 20 30 DHEDMO C=C(CC)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000536889530 1031468677 /nfs/dbraw/zinc/46/86/77/1031468677.db2.gz KBBPLKDAJDLEPU-KRWDZBQOSA-N 1 1 301.434 3.629 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)Cc1ccc2c(c1)OCCO2 ZINC000929232829 1031475618 /nfs/dbraw/zinc/47/56/18/1031475618.db2.gz FTVMXRHQFGBYRO-UHFFFAOYSA-N 1 1 314.429 3.754 20 30 DHEDMO C=CCC[N@H+](Cc1cc[nH]c1C(=O)OCC)Cc1ccccc1 ZINC001144333775 1031476680 /nfs/dbraw/zinc/47/66/80/1031476680.db2.gz JKCGMTIZSGDOJW-UHFFFAOYSA-N 1 1 312.413 3.770 20 30 DHEDMO CC(C)[N@@H+](C)CC1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000536995590 1031484150 /nfs/dbraw/zinc/48/41/50/1031484150.db2.gz VFRUJWUPQDMKOG-UHFFFAOYSA-N 1 1 305.853 3.768 20 30 DHEDMO CCCCCCCCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000845161401 1031494053 /nfs/dbraw/zinc/49/40/53/1031494053.db2.gz QYVZOZTWBHJHAW-INIZCTEOSA-N 1 1 305.466 3.621 20 30 DHEDMO C#C[C@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000872139999 1031533173 /nfs/dbraw/zinc/53/31/73/1031533173.db2.gz VAVCAWGFYCUIAS-VURPSTOHSA-N 1 1 310.485 3.679 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc2c(c1)ncn2C ZINC000537205573 1031539803 /nfs/dbraw/zinc/53/98/03/1031539803.db2.gz DXGCXXLUUHPGRD-UHFFFAOYSA-N 1 1 305.425 3.804 20 30 DHEDMO CCC(CC)[C@@H](C[NH2+]Cc1ccc(C#N)s1)N1CCCC1 ZINC000537245777 1031547336 /nfs/dbraw/zinc/54/73/36/1031547336.db2.gz JYWCRIZPUJBNJV-QGZVFWFLSA-N 1 1 305.491 3.610 20 30 DHEDMO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1N(C)C)c1cccc(C#N)c1 ZINC000360758833 1031549027 /nfs/dbraw/zinc/54/90/27/1031549027.db2.gz JCDCWHRBNVTFJC-JHVJFLLYSA-N 1 1 319.452 3.827 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000360838191 1031584300 /nfs/dbraw/zinc/58/43/00/1031584300.db2.gz BFBUIZHWJLDROM-NQIIRXRSSA-N 1 1 323.484 3.932 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000360838191 1031584303 /nfs/dbraw/zinc/58/43/03/1031584303.db2.gz BFBUIZHWJLDROM-NQIIRXRSSA-N 1 1 323.484 3.932 20 30 DHEDMO C[C@@H]([NH2+]CC1(N(C)C)CCCCC1)c1ccc(C#N)c(F)c1 ZINC000537400378 1031590549 /nfs/dbraw/zinc/59/05/49/1031590549.db2.gz YHSPFMZPBFXLSH-CQSZACIVSA-N 1 1 303.425 3.612 20 30 DHEDMO CCc1onc(C)c1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000929756231 1031595763 /nfs/dbraw/zinc/59/57/63/1031595763.db2.gz DAGMICSTZGMOFK-FUHWJXTLSA-N 1 1 309.413 3.817 20 30 DHEDMO CCc1onc(C)c1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000929756231 1031595775 /nfs/dbraw/zinc/59/57/75/1031595775.db2.gz DAGMICSTZGMOFK-FUHWJXTLSA-N 1 1 309.413 3.817 20 30 DHEDMO N#CC1CCC(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)CC1 ZINC000929800836 1031611382 /nfs/dbraw/zinc/61/13/82/1031611382.db2.gz YPEJAPMMTBHMCW-LBXVMSDZSA-N 1 1 312.457 3.688 20 30 DHEDMO CCS[C@H](C)c1noc(C[N@H+](C)CC2CCC(C#N)CC2)n1 ZINC000929850670 1031626557 /nfs/dbraw/zinc/62/65/57/1031626557.db2.gz LYSXBUXJEOGIJF-IYXRBSQSSA-N 1 1 322.478 3.645 20 30 DHEDMO CCS[C@H](C)c1noc(C[N@@H+](C)CC2CCC(C#N)CC2)n1 ZINC000929850670 1031626562 /nfs/dbraw/zinc/62/65/62/1031626562.db2.gz LYSXBUXJEOGIJF-IYXRBSQSSA-N 1 1 322.478 3.645 20 30 DHEDMO N#CC1CCC(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000929853708 1031627270 /nfs/dbraw/zinc/62/72/70/1031627270.db2.gz OFNDMFOKBJSBSM-UHFFFAOYSA-N 1 1 313.401 3.889 20 30 DHEDMO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCCCC1(C#N)CCC1 ZINC000929988047 1031668063 /nfs/dbraw/zinc/66/80/63/1031668063.db2.gz VKQGJPHIJRHXQK-QGZVFWFLSA-N 1 1 314.429 3.697 20 30 DHEDMO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000929988047 1031668071 /nfs/dbraw/zinc/66/80/71/1031668071.db2.gz VKQGJPHIJRHXQK-QGZVFWFLSA-N 1 1 314.429 3.697 20 30 DHEDMO C[C@H](Cc1ccsc1)[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000897596004 1031678673 /nfs/dbraw/zinc/67/86/73/1031678673.db2.gz KZGVYSPTKHYOJT-KDOFPFPSSA-N 1 1 312.438 3.624 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CCO2)cc1 ZINC000897595590 1031679222 /nfs/dbraw/zinc/67/92/22/1031679222.db2.gz CRCSXMDMJVGYLG-FQEVSTJZSA-N 1 1 317.392 3.613 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CCO2)cc1 ZINC000897595590 1031679231 /nfs/dbraw/zinc/67/92/31/1031679231.db2.gz CRCSXMDMJVGYLG-FQEVSTJZSA-N 1 1 317.392 3.613 20 30 DHEDMO C[C@@H](c1ccc(F)nc1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000930157508 1031718653 /nfs/dbraw/zinc/71/86/53/1031718653.db2.gz FNVGVJNDEBKGSG-AWEZNQCLSA-N 1 1 307.372 3.943 20 30 DHEDMO C[C@@H](c1ccc(F)nc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000930157508 1031718663 /nfs/dbraw/zinc/71/86/63/1031718663.db2.gz FNVGVJNDEBKGSG-AWEZNQCLSA-N 1 1 307.372 3.943 20 30 DHEDMO C#Cc1ccc(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC001144568644 1031720883 /nfs/dbraw/zinc/72/08/83/1031720883.db2.gz BBVWCJWMBJWPOT-UHFFFAOYSA-N 1 1 308.469 3.508 20 30 DHEDMO C#CC1CC[NH+](Cc2cc(C)c(Br)cc2F)CC1 ZINC001144591184 1031734348 /nfs/dbraw/zinc/73/43/48/1031734348.db2.gz UKGQNUPCNIFIHE-UHFFFAOYSA-N 1 1 310.210 3.742 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)CCC1 ZINC000930242263 1031753529 /nfs/dbraw/zinc/75/35/29/1031753529.db2.gz USIXPLYPYVLEGP-IBGZPJMESA-N 1 1 316.420 3.583 20 30 DHEDMO CC(C)[N@@H+](Cc1cn(C)nc1C(F)F)Cc1ccc(C#N)cc1 ZINC000361182350 1031773683 /nfs/dbraw/zinc/77/36/83/1031773683.db2.gz YYLOFYKVAYWHHY-UHFFFAOYSA-N 1 1 318.371 3.640 20 30 DHEDMO C[N@H+](Cc1ccccc1C1CC1)C[C@H](O)c1cccc(C#N)c1 ZINC000846009056 1031805388 /nfs/dbraw/zinc/80/53/88/1031805388.db2.gz ZYOHYRTXGAFNBN-FQEVSTJZSA-N 1 1 306.409 3.601 20 30 DHEDMO C[N@H+](Cc1ccc(C2CC2)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC000846007479 1031805438 /nfs/dbraw/zinc/80/54/38/1031805438.db2.gz NXDUBWOXUNJHEW-FQEVSTJZSA-N 1 1 306.409 3.601 20 30 DHEDMO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1Cc1cncc(C#N)c1 ZINC000930448426 1031823470 /nfs/dbraw/zinc/82/34/70/1031823470.db2.gz DCJIMFBYLQKMMR-HNAYVOBHSA-N 1 1 321.424 3.935 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC(C)(C)C[C@@H]1C ZINC001171207846 1031824700 /nfs/dbraw/zinc/82/47/00/1031824700.db2.gz FSQOOJNUYSVRNJ-RYUDHWBXSA-N 1 1 319.836 3.659 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000930486730 1031840144 /nfs/dbraw/zinc/84/01/44/1031840144.db2.gz RRCLDAGFXSAAIE-UHFFFAOYSA-N 1 1 303.409 3.859 20 30 DHEDMO COc1ccc2c(c1)C1(CC1)C[N@H+](CC1CCC(C#N)CC1)C2 ZINC000930523399 1031858999 /nfs/dbraw/zinc/85/89/99/1031858999.db2.gz WSEHXNLGUSKFCY-UHFFFAOYSA-N 1 1 310.441 3.872 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)cc(OC)c1O ZINC000846109700 1031861569 /nfs/dbraw/zinc/86/15/69/1031861569.db2.gz UXGCUQBWSXRRRM-KRWDZBQOSA-N 1 1 323.383 3.751 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCOC[C@@H]2c2ccc(F)cc2)CC1 ZINC000930649522 1031905422 /nfs/dbraw/zinc/90/54/22/1031905422.db2.gz GRPSCXYUQUUERU-JTTJXQCZSA-N 1 1 302.393 3.529 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCOC[C@@H]2c2ccc(F)cc2)CC1 ZINC000930649522 1031905425 /nfs/dbraw/zinc/90/54/25/1031905425.db2.gz GRPSCXYUQUUERU-JTTJXQCZSA-N 1 1 302.393 3.529 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cccc(C(=O)OC)c1 ZINC000561515448 1031946293 /nfs/dbraw/zinc/94/62/93/1031946293.db2.gz IICLRPNTUZDDIS-UHFFFAOYSA-N 1 1 309.409 3.704 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001171221283 1031959797 /nfs/dbraw/zinc/95/97/97/1031959797.db2.gz JZRPJJAQIZWPGO-QRWLVFNGSA-N 1 1 324.399 3.782 20 30 DHEDMO C=CCCCCCCCCC(=O)NC1CC[NH+](CCF)CC1 ZINC001144798601 1031971044 /nfs/dbraw/zinc/97/10/44/1031971044.db2.gz XASDPKAVJXZONO-UHFFFAOYSA-N 1 1 312.473 3.843 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@H](C)Cc2cccc(C#N)c2)c(OC)c1 ZINC001171223934 1031976559 /nfs/dbraw/zinc/97/65/59/1031976559.db2.gz OGTWAWPQZYFGRW-OAHLLOKOSA-N 1 1 324.424 3.638 20 30 DHEDMO COc1cccc(CC[N@@H+](C)[C@H](C)Cc2cccc(C#N)c2)c1 ZINC001171225067 1031978968 /nfs/dbraw/zinc/97/89/68/1031978968.db2.gz XKKONINUWBDZRD-MRXNPFEDSA-N 1 1 308.425 3.672 20 30 DHEDMO C=C[C@@H](C)ONC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000846551029 1031997959 /nfs/dbraw/zinc/99/79/59/1031997959.db2.gz QDGCJGCAPMSCBM-MRXNPFEDSA-N 1 1 324.424 3.555 20 30 DHEDMO CCC[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H]1CCCc2cccnc21 ZINC000361584306 1032001299 /nfs/dbraw/zinc/00/12/99/1032001299.db2.gz DVKBHBBRFDBDGC-GOSISDBHSA-N 1 1 308.429 3.581 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)CCN(C)Cc1ccccc1 ZINC001171233180 1032008239 /nfs/dbraw/zinc/00/82/39/1032008239.db2.gz ZUTOVIYKTTXFJZ-GOSISDBHSA-N 1 1 321.468 3.553 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)N(C)CC[N@H+](C)Cc1ccccc1 ZINC001171233180 1032008256 /nfs/dbraw/zinc/00/82/56/1032008256.db2.gz ZUTOVIYKTTXFJZ-GOSISDBHSA-N 1 1 321.468 3.553 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)N(C)CC[N@@H+](C)Cc1ccccc1 ZINC001171233180 1032008262 /nfs/dbraw/zinc/00/82/62/1032008262.db2.gz ZUTOVIYKTTXFJZ-GOSISDBHSA-N 1 1 321.468 3.553 20 30 DHEDMO C#CC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C1 ZINC001172648830 1033302956 /nfs/dbraw/zinc/30/29/56/1033302956.db2.gz JTWSHRUYYUVVJD-JKSUJKDBSA-N 1 1 308.466 3.510 20 30 DHEDMO CC1(C)CC([N@H+](CCC#N)Cc2cccnc2)CC(C)(C)O1 ZINC001172654943 1033307394 /nfs/dbraw/zinc/30/73/94/1033307394.db2.gz MSBGOVNLNJVBSO-UHFFFAOYSA-N 1 1 301.434 3.533 20 30 DHEDMO CC1(C)CC([N@@H+](CCC#N)Cc2cccnc2)CC(C)(C)O1 ZINC001172654943 1033307403 /nfs/dbraw/zinc/30/74/03/1033307403.db2.gz MSBGOVNLNJVBSO-UHFFFAOYSA-N 1 1 301.434 3.533 20 30 DHEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1cccc(OC)c1 ZINC001137120586 1033313463 /nfs/dbraw/zinc/31/34/63/1033313463.db2.gz VHVPJZRLGZFPAO-UHFFFAOYSA-N 1 1 310.397 3.620 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)cc1 ZINC001137121299 1033327313 /nfs/dbraw/zinc/32/73/13/1033327313.db2.gz CBUZORZTOQVYLD-CALCHBBNSA-N 1 1 304.393 3.676 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@H]1Cc3ccc(Cl)cc3C1)C2 ZINC001172720029 1033327994 /nfs/dbraw/zinc/32/79/94/1033327994.db2.gz UYZSMWPXOHARIC-IBGZPJMESA-N 1 1 308.812 3.737 20 30 DHEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(OCc2ccccn2)cc1)C1CC1 ZINC000338352479 1033328534 /nfs/dbraw/zinc/32/85/34/1033328534.db2.gz LYYFBFNCIBUTCV-INIZCTEOSA-N 1 1 321.424 3.785 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C1CC1 ZINC000338352479 1033328545 /nfs/dbraw/zinc/32/85/45/1033328545.db2.gz LYYFBFNCIBUTCV-INIZCTEOSA-N 1 1 321.424 3.785 20 30 DHEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(OCc2ccncc2)cc1)C1CC1 ZINC000338345471 1033330476 /nfs/dbraw/zinc/33/04/76/1033330476.db2.gz CSBLVDXDGROYFN-INIZCTEOSA-N 1 1 321.424 3.785 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)C1CC1 ZINC000338345471 1033330484 /nfs/dbraw/zinc/33/04/84/1033330484.db2.gz CSBLVDXDGROYFN-INIZCTEOSA-N 1 1 321.424 3.785 20 30 DHEDMO CC(C)OC(=O)CC[C@@H](C)[N@H+](CCC#N)Cc1ccccc1 ZINC001172749990 1033341265 /nfs/dbraw/zinc/34/12/65/1033341265.db2.gz OXCSIOZUKGKGRK-MRXNPFEDSA-N 1 1 302.418 3.523 20 30 DHEDMO CC(C)OC(=O)CC[C@@H](C)[N@@H+](CCC#N)Cc1ccccc1 ZINC001172749990 1033341278 /nfs/dbraw/zinc/34/12/78/1033341278.db2.gz OXCSIOZUKGKGRK-MRXNPFEDSA-N 1 1 302.418 3.523 20 30 DHEDMO COC(=O)[C@@H]1CCC[C@@H]([N@@H+](CCC#N)Cc2ccccc2)CC1 ZINC001172782660 1033366672 /nfs/dbraw/zinc/36/66/72/1033366672.db2.gz HYSNPPNUCLOMGS-QZTJIDSGSA-N 1 1 314.429 3.524 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000877609898 1033379288 /nfs/dbraw/zinc/37/92/88/1033379288.db2.gz FGXMOEQPUZOQLU-WMLDXEAASA-N 1 1 306.837 3.563 20 30 DHEDMO C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000126622811 1033388665 /nfs/dbraw/zinc/38/86/65/1033388665.db2.gz WTOPWXRCMZQQFS-IERDGZPVSA-N 1 1 320.436 3.892 20 30 DHEDMO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877704331 1033416897 /nfs/dbraw/zinc/41/68/97/1033416897.db2.gz MGOXBYICBBMJOO-UHFFFAOYSA-N 1 1 324.472 3.801 20 30 DHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3cc(C#N)cs3)C2)[nH]n1 ZINC000877783728 1033451613 /nfs/dbraw/zinc/45/16/13/1033451613.db2.gz DYVJUABPRDWZLT-AWEZNQCLSA-N 1 1 314.458 3.846 20 30 DHEDMO CC(C)c1cc([C@H]2CCC[N@H+](Cc3cc(C#N)cs3)C2)n[nH]1 ZINC000877783728 1033451618 /nfs/dbraw/zinc/45/16/18/1033451618.db2.gz DYVJUABPRDWZLT-AWEZNQCLSA-N 1 1 314.458 3.846 20 30 DHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3cc(C#N)cs3)C2)n[nH]1 ZINC000877783728 1033451629 /nfs/dbraw/zinc/45/16/29/1033451629.db2.gz DYVJUABPRDWZLT-AWEZNQCLSA-N 1 1 314.458 3.846 20 30 DHEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910879 1033484957 /nfs/dbraw/zinc/48/49/57/1033484957.db2.gz PRRUAKXBXGPAFO-QGZVFWFLSA-N 1 1 315.417 3.858 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1COc2cccc(OC)c2C1 ZINC001173165508 1033563555 /nfs/dbraw/zinc/56/35/55/1033563555.db2.gz MWSFFWPBMFEUTP-QGZVFWFLSA-N 1 1 309.409 3.687 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H]1C(C)(C)C)c1ccccc1 ZINC000878055123 1033568444 /nfs/dbraw/zinc/56/84/44/1033568444.db2.gz QIIJVQDYDPIWSN-ICSRJNTNSA-N 1 1 312.457 3.938 20 30 DHEDMO CC(C)C[N@@H+](C[C@@H](O)c1ccc(F)cc1)CC1(CC#N)CC1 ZINC000878130823 1033590464 /nfs/dbraw/zinc/59/04/64/1033590464.db2.gz VXOLROCOVWONSA-QGZVFWFLSA-N 1 1 304.409 3.511 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000878151370 1033597959 /nfs/dbraw/zinc/59/79/59/1033597959.db2.gz AKXUGZDUSYTROW-QRVBRYPASA-N 1 1 310.441 3.717 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000878151370 1033597967 /nfs/dbraw/zinc/59/79/67/1033597967.db2.gz AKXUGZDUSYTROW-QRVBRYPASA-N 1 1 310.441 3.717 20 30 DHEDMO N#CCC[N@@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)CC1CC1 ZINC000878159854 1033605470 /nfs/dbraw/zinc/60/54/70/1033605470.db2.gz XQZXLRRTNCJNRH-OAHLLOKOSA-N 1 1 313.228 3.652 20 30 DHEDMO N#CCC[N@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)CC1CC1 ZINC000878159854 1033605477 /nfs/dbraw/zinc/60/54/77/1033605477.db2.gz XQZXLRRTNCJNRH-OAHLLOKOSA-N 1 1 313.228 3.652 20 30 DHEDMO CCC[C@@H]1CCC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878186200 1033615235 /nfs/dbraw/zinc/61/52/35/1033615235.db2.gz HBBALHGZPCBTSL-UYAOXDASSA-N 1 1 312.457 3.939 20 30 DHEDMO N#CCC1(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000878191906 1033617221 /nfs/dbraw/zinc/61/72/21/1033617221.db2.gz RYHSMPWDOSCSSL-HOTGVXAUSA-N 1 1 302.418 3.642 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3CC4(CCC4)CO3)CC2)cc1 ZINC000878334236 1033661682 /nfs/dbraw/zinc/66/16/82/1033661682.db2.gz RYKAKVNUFQFPPR-LJQANCHMSA-N 1 1 308.425 3.607 20 30 DHEDMO CCCCCCCCC[C@H](CCC)[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001173285142 1033676871 /nfs/dbraw/zinc/67/68/71/1033676871.db2.gz OOSCRPQPWBKMLV-QYZOEREBSA-N 1 1 313.526 3.971 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@@H](c3cccc(OC)c3)C2)CC1 ZINC001173323157 1033685989 /nfs/dbraw/zinc/68/59/89/1033685989.db2.gz QYEKQTUCLFIHIP-LMDPOFIKSA-N 1 1 315.457 3.998 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCOC[C@H]2c2ccc(F)cc2)CC1 ZINC001173325382 1033686459 /nfs/dbraw/zinc/68/64/59/1033686459.db2.gz KQUKASXCSVKMGV-ACBHZAAOSA-N 1 1 319.420 3.713 20 30 DHEDMO C=CCOC1CCC([N@@H+]2CCOC[C@H]2c2ccc(F)cc2)CC1 ZINC001173325382 1033686462 /nfs/dbraw/zinc/68/64/62/1033686462.db2.gz KQUKASXCSVKMGV-ACBHZAAOSA-N 1 1 319.420 3.713 20 30 DHEDMO N#CCC1CCC([N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)CC1 ZINC001173336896 1033691412 /nfs/dbraw/zinc/69/14/12/1033691412.db2.gz QIMLJCWEDGWKII-WDQDQHCCSA-N 1 1 323.484 3.665 20 30 DHEDMO CCCc1noc([C@@H]2CCC[N@H+](C3CCC(CC#N)CC3)C2)n1 ZINC001173337358 1033694307 /nfs/dbraw/zinc/69/43/07/1033694307.db2.gz JJAZYUUEGVHZIH-HWOWSKLDSA-N 1 1 316.449 3.674 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@@](CF)(C(F)(F)F)C2)CC1 ZINC001173320104 1033716868 /nfs/dbraw/zinc/71/68/68/1033716868.db2.gz ALQAVPDUEKUWLE-RUXDESIVSA-N 1 1 309.347 3.724 20 30 DHEDMO C[N@@H+](CCCCc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000127134025 1033718723 /nfs/dbraw/zinc/71/87/23/1033718723.db2.gz INRGFEJHIXVDQC-HXUWFJFHSA-N 1 1 308.425 3.546 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCO[C@@](C)(c3ccc(F)cc3)C2)CC1 ZINC001173599128 1033784180 /nfs/dbraw/zinc/78/41/80/1033784180.db2.gz ZZUKOFHNKGLZOZ-CTWPCTMYSA-N 1 1 316.420 3.846 20 30 DHEDMO CN(C)c1cc(F)c(C[N@H+](C)Cc2cccc(C#N)c2)cc1F ZINC000862219999 1033784921 /nfs/dbraw/zinc/78/49/21/1033784921.db2.gz JQRDURZFMRGHRN-UHFFFAOYSA-N 1 1 315.367 3.534 20 30 DHEDMO CN(C)c1cc(F)c(C[N@@H+](C)Cc2cccc(C#N)c2)cc1F ZINC000862219999 1033784931 /nfs/dbraw/zinc/78/49/31/1033784931.db2.gz JQRDURZFMRGHRN-UHFFFAOYSA-N 1 1 315.367 3.534 20 30 DHEDMO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173598286 1033785700 /nfs/dbraw/zinc/78/57/00/1033785700.db2.gz OOMUGALFNLJLJF-CXUOOODFSA-N 1 1 303.494 3.798 20 30 DHEDMO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173598286 1033785711 /nfs/dbraw/zinc/78/57/11/1033785711.db2.gz OOMUGALFNLJLJF-CXUOOODFSA-N 1 1 303.494 3.798 20 30 DHEDMO CCOC(=O)[C@H]1CC12CCC([N@@H+](CCC#N)C1CCCC1)CC2 ZINC001173616761 1033806478 /nfs/dbraw/zinc/80/64/78/1033806478.db2.gz XKLXADPAKAPMNO-TVRKMHQQSA-N 1 1 318.461 3.657 20 30 DHEDMO N#Cc1ccc(C2([NH2+]Cc3scnc3Cl)CCC2)cc1 ZINC000878845497 1033841626 /nfs/dbraw/zinc/84/16/26/1033841626.db2.gz FPGKHBWBEZJBJO-UHFFFAOYSA-N 1 1 303.818 3.837 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(OCC)c2)C1 ZINC000862444216 1033856020 /nfs/dbraw/zinc/85/60/20/1033856020.db2.gz ZQTSFIYXUNGODU-ZDUSSCGKSA-N 1 1 309.356 3.532 20 30 DHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878887648 1033858379 /nfs/dbraw/zinc/85/83/79/1033858379.db2.gz GEXVGOGQOCWKLG-WBVHZDCISA-N 1 1 319.399 3.764 20 30 DHEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878887648 1033858389 /nfs/dbraw/zinc/85/83/89/1033858389.db2.gz GEXVGOGQOCWKLG-WBVHZDCISA-N 1 1 319.399 3.764 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)c(OCC=C)c(OC)c2)C1 ZINC000862447795 1033860524 /nfs/dbraw/zinc/86/05/24/1033860524.db2.gz RAXDJHSXXIBYNO-CQSZACIVSA-N 1 1 319.832 3.759 20 30 DHEDMO Cc1cc(O)c(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1C ZINC000862541955 1033884333 /nfs/dbraw/zinc/88/43/33/1033884333.db2.gz AUFSTJQLLOYHLE-UHFFFAOYSA-N 1 1 306.409 3.633 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@H](C2CCC2)C1)c1ccccc1 ZINC000878994555 1033891035 /nfs/dbraw/zinc/89/10/35/1033891035.db2.gz UESPPIBOIRFEOZ-PZJWPPBQSA-N 1 1 324.468 3.939 20 30 DHEDMO CCOc1c(Cl)cc(C[NH2+]Cc2ccc(C#N)o2)cc1OC ZINC000174282010 1033918419 /nfs/dbraw/zinc/91/84/19/1033918419.db2.gz LAOZVKGOGCNUAE-UHFFFAOYSA-N 1 1 320.776 3.502 20 30 DHEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1CCCCC(C)(C)C#N ZINC000879226516 1033956378 /nfs/dbraw/zinc/95/63/78/1033956378.db2.gz PVYDUWCPJAWZPS-LSDHHAIUSA-N 1 1 323.481 3.694 20 30 DHEDMO C[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCC[C@H]1C#N ZINC000879310287 1033979231 /nfs/dbraw/zinc/97/92/31/1033979231.db2.gz SKNQBQITWQQDKC-NZVBXONLSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCC[C@H]1C#N ZINC000879310287 1033979243 /nfs/dbraw/zinc/97/92/43/1033979243.db2.gz SKNQBQITWQQDKC-NZVBXONLSA-N 1 1 313.228 3.651 20 30 DHEDMO N#CCCOCC[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000339052043 1034004665 /nfs/dbraw/zinc/00/46/65/1034004665.db2.gz APXCYUMYYSASNQ-NRFANRHFSA-N 1 1 320.436 3.759 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc(C(F)(F)F)cn1 ZINC000879433036 1034014568 /nfs/dbraw/zinc/01/45/68/1034014568.db2.gz NIAAMJJXGDJPPL-UHFFFAOYSA-N 1 1 319.330 3.647 20 30 DHEDMO C[C@@H](C[N@H+](CCCC(C)(C)C#N)[C@@H](C)CO)c1ccccc1 ZINC000554279145 1034077436 /nfs/dbraw/zinc/07/74/36/1034077436.db2.gz FWDOTKIQFNAZPI-IRXDYDNUSA-N 1 1 302.462 3.803 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879750598 1034114678 /nfs/dbraw/zinc/11/46/78/1034114678.db2.gz YEQFLHWLMRXKLK-GOSISDBHSA-N 1 1 307.397 3.607 20 30 DHEDMO N#Cc1ccc(CNCc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000176944798 1034122760 /nfs/dbraw/zinc/12/27/60/1034122760.db2.gz NIJCWBFWDZNTSI-UHFFFAOYSA-N 1 1 311.454 3.505 20 30 DHEDMO Cc1csc([C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC000880010379 1034183256 /nfs/dbraw/zinc/18/32/56/1034183256.db2.gz YQUOQNKSPLLDKE-OAHLLOKOSA-N 1 1 316.857 3.946 20 30 DHEDMO CC(=O)Nc1ccc2c(c1)C[N@@H+]([C@@H](C)c1cccc(C#N)c1)CC2 ZINC000880032467 1034192525 /nfs/dbraw/zinc/19/25/25/1034192525.db2.gz DGRDNPWTBVRJEI-AWEZNQCLSA-N 1 1 319.408 3.636 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CC[C@H](C(F)(F)F)O1 ZINC000880066523 1034200107 /nfs/dbraw/zinc/20/01/07/1034200107.db2.gz HUXMVTNNHZWNOS-CHWSQXEVSA-N 1 1 306.372 3.748 20 30 DHEDMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](CCCC(C)(C)C#N)CC2 ZINC000880091521 1034206719 /nfs/dbraw/zinc/20/67/19/1034206719.db2.gz YNPVGKBFCTZZQZ-AWEZNQCLSA-N 1 1 316.445 3.953 20 30 DHEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(C(F)(F)F)nc1 ZINC000880097512 1034209192 /nfs/dbraw/zinc/20/91/92/1034209192.db2.gz UHZQFTQOCNGFGX-SNVBAGLBSA-N 1 1 323.293 3.962 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@]4(CC4(F)F)C3)cc2)CC1 ZINC000826143258 1034217327 /nfs/dbraw/zinc/21/73/27/1034217327.db2.gz VNEQTMDUJRQDEX-KRWDZBQOSA-N 1 1 302.368 3.863 20 30 DHEDMO COc1cccc([C@@H]2CC[N@@H+](Cc3ccncc3C#N)C2(C)C)c1 ZINC000880285376 1034279480 /nfs/dbraw/zinc/27/94/80/1034279480.db2.gz KCSQJDSMVNHSDU-IBGZPJMESA-N 1 1 321.424 3.730 20 30 DHEDMO Clc1ccccc1C#CC[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880319448 1034295972 /nfs/dbraw/zinc/29/59/72/1034295972.db2.gz GUQSWCLEYOVJNW-AWEZNQCLSA-N 1 1 302.830 3.638 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880319448 1034295978 /nfs/dbraw/zinc/29/59/78/1034295978.db2.gz GUQSWCLEYOVJNW-AWEZNQCLSA-N 1 1 302.830 3.638 20 30 DHEDMO CN(C)c1ccccc1C[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000554746277 1034309997 /nfs/dbraw/zinc/30/99/97/1034309997.db2.gz WUAUSFVGTYFBKL-UHFFFAOYSA-N 1 1 313.832 3.910 20 30 DHEDMO CN(C)c1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000554746277 1034310011 /nfs/dbraw/zinc/31/00/11/1034310011.db2.gz WUAUSFVGTYFBKL-UHFFFAOYSA-N 1 1 313.832 3.910 20 30 DHEDMO COc1ccc(C#N)cc1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174394006 1034317487 /nfs/dbraw/zinc/31/74/87/1034317487.db2.gz CQVVKSWMUGDTDS-UHFFFAOYSA-N 1 1 319.408 3.769 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000179657177 1034324932 /nfs/dbraw/zinc/32/49/32/1034324932.db2.gz BWGRATUSNKTQGX-UHFFFAOYSA-N 1 1 317.392 3.603 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000179657177 1034324936 /nfs/dbraw/zinc/32/49/36/1034324936.db2.gz BWGRATUSNKTQGX-UHFFFAOYSA-N 1 1 317.392 3.603 20 30 DHEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000480576477 1034329898 /nfs/dbraw/zinc/32/98/98/1034329898.db2.gz KCWFCUHSSRNNSY-ZDUSSCGKSA-N 1 1 314.816 3.980 20 30 DHEDMO C#CCC1(O)CC[NH+]([C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000880479761 1034344412 /nfs/dbraw/zinc/34/44/12/1034344412.db2.gz XIOMKZMWFBHTMO-GFCCVEGCSA-N 1 1 312.240 3.905 20 30 DHEDMO C=CCC(CC=C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181555986 1034348470 /nfs/dbraw/zinc/34/84/70/1034348470.db2.gz LBALNHYVJVAIFB-DOTOQJQBSA-N 1 1 304.478 3.524 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)c([N+](=O)[O-])c1 ZINC000880535441 1034351851 /nfs/dbraw/zinc/35/18/51/1034351851.db2.gz CPESOVMXSJWUTF-KSSFIOAISA-N 1 1 319.364 3.901 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)c([N+](=O)[O-])c1 ZINC000880535441 1034351859 /nfs/dbraw/zinc/35/18/59/1034351859.db2.gz CPESOVMXSJWUTF-KSSFIOAISA-N 1 1 319.364 3.901 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)c1F ZINC000880576465 1034365520 /nfs/dbraw/zinc/36/55/20/1034365520.db2.gz CLIJXFNCVFWWIP-KRWDZBQOSA-N 1 1 316.420 3.726 20 30 DHEDMO CCc1cc(C#N)ccc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174446205 1034390366 /nfs/dbraw/zinc/39/03/66/1034390366.db2.gz CMLHVJQSWNERQD-UHFFFAOYSA-N 1 1 321.424 3.696 20 30 DHEDMO Cc1csc(C[N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)c1 ZINC001137158522 1034402730 /nfs/dbraw/zinc/40/27/30/1034402730.db2.gz WMSZQGJYQVEAEX-INIZCTEOSA-N 1 1 312.438 3.972 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC001174593423 1034497786 /nfs/dbraw/zinc/49/77/86/1034497786.db2.gz VBVAHMLSLJEWIC-IRXDYDNUSA-N 1 1 323.864 3.819 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](c2cccc(Cl)c2)OCC1(C)C ZINC001174593423 1034497795 /nfs/dbraw/zinc/49/77/95/1034497795.db2.gz VBVAHMLSLJEWIC-IRXDYDNUSA-N 1 1 323.864 3.819 20 30 DHEDMO C#CCCC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000794806168 1034503631 /nfs/dbraw/zinc/50/36/31/1034503631.db2.gz YTQGPKOAVQHRBK-CZUORRHYSA-N 1 1 311.347 3.881 20 30 DHEDMO CCS[C@@H]1CCCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000480996895 1034547560 /nfs/dbraw/zinc/54/75/60/1034547560.db2.gz GMSJLIPQMOKFBX-MRXNPFEDSA-N 1 1 304.459 3.545 20 30 DHEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001174781624 1034603619 /nfs/dbraw/zinc/60/36/19/1034603619.db2.gz XXXFQDCEIXXDNO-SWLSCSKDSA-N 1 1 319.836 3.803 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000481241774 1034687209 /nfs/dbraw/zinc/68/72/09/1034687209.db2.gz WCGWBJJYTKTPOK-HZPDHXFCSA-N 1 1 310.441 3.913 20 30 DHEDMO C=CCOc1cccc(C[NH2+]Cc2nc3cc(C)ccc3n2C)c1 ZINC000187574363 1034715246 /nfs/dbraw/zinc/71/52/46/1034715246.db2.gz ICOAHLGFSNVNIQ-UHFFFAOYSA-N 1 1 321.424 3.736 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000481286923 1034716149 /nfs/dbraw/zinc/71/61/49/1034716149.db2.gz PXSRALDHNVMBSU-IBGZPJMESA-N 1 1 324.424 3.883 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000481286923 1034716169 /nfs/dbraw/zinc/71/61/69/1034716169.db2.gz PXSRALDHNVMBSU-IBGZPJMESA-N 1 1 324.424 3.883 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2[nH]ccc2c1 ZINC000600106894 1034734610 /nfs/dbraw/zinc/73/46/10/1034734610.db2.gz JAQSPGMONNSZMD-UHFFFAOYSA-N 1 1 319.408 3.688 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cc3ccncc3s1)C2 ZINC000600213675 1034807072 /nfs/dbraw/zinc/80/70/72/1034807072.db2.gz XPXGSUNCOJGPKX-UHFFFAOYSA-N 1 1 319.433 3.921 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000481444003 1034836294 /nfs/dbraw/zinc/83/62/94/1034836294.db2.gz ZAISNXMSUXQFOE-ROUUACIJSA-N 1 1 302.462 3.744 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1ccc(OC)nc1)c1ccc(F)c(F)c1 ZINC000481590144 1034893143 /nfs/dbraw/zinc/89/31/43/1034893143.db2.gz CWLKAYXIZKFBOB-KRWDZBQOSA-N 1 1 304.340 3.775 20 30 DHEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CCC(C)(C)C#N)c1 ZINC000157450319 1034896519 /nfs/dbraw/zinc/89/65/19/1034896519.db2.gz KDTSRZCCFIZDSO-INIZCTEOSA-N 1 1 302.418 3.781 20 30 DHEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000481699308 1034937876 /nfs/dbraw/zinc/93/78/76/1034937876.db2.gz VBIZYJVFUMPARF-OAQYLSRUSA-N 1 1 321.395 3.699 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000481699308 1034937883 /nfs/dbraw/zinc/93/78/83/1034937883.db2.gz VBIZYJVFUMPARF-OAQYLSRUSA-N 1 1 321.395 3.699 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000323607434 1035002365 /nfs/dbraw/zinc/00/23/65/1035002365.db2.gz AMJJRWKVSPCEFK-VAMGGRTRSA-N 1 1 312.457 3.772 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1csc(-c2ccoc2)n1 ZINC001175522251 1035025804 /nfs/dbraw/zinc/02/58/04/1035025804.db2.gz FJRMDZHZXKDPAU-UHFFFAOYSA-N 1 1 323.421 3.949 20 30 DHEDMO C=CC(C)(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000448709463 1035069669 /nfs/dbraw/zinc/06/96/69/1035069669.db2.gz PJPFJIXDCRSRAR-MRXNPFEDSA-N 1 1 314.473 3.889 20 30 DHEDMO CC(C)[N@H+](CC#Cc1ccc(F)cc1)CCc1nccs1 ZINC000159958329 1035116667 /nfs/dbraw/zinc/11/66/67/1035116667.db2.gz UMIXAGWIAWHWNP-UHFFFAOYSA-N 1 1 302.418 3.587 20 30 DHEDMO COc1cccc([C@@H]2CC[N@@H+](Cc3cc(C#N)ccn3)C2(C)C)c1 ZINC001175820627 1035135460 /nfs/dbraw/zinc/13/54/60/1035135460.db2.gz FDQQOURGCCKZDM-IBGZPJMESA-N 1 1 321.424 3.730 20 30 DHEDMO CC(C)[N@H+](Cc1cn2ccsc2n1)Cc1ccc(C#N)cc1 ZINC000171080435 1035205082 /nfs/dbraw/zinc/20/50/82/1035205082.db2.gz DOIQXNUNGUUVAN-UHFFFAOYSA-N 1 1 310.426 3.678 20 30 DHEDMO CC(C)[N@@H+](Cc1cn2ccsc2n1)Cc1ccc(C#N)cc1 ZINC000171080435 1035205086 /nfs/dbraw/zinc/20/50/86/1035205086.db2.gz DOIQXNUNGUUVAN-UHFFFAOYSA-N 1 1 310.426 3.678 20 30 DHEDMO C#CC[N@H+](Cc1ccc(Br)c(F)c1F)C(C)(C)C ZINC001176287486 1035234398 /nfs/dbraw/zinc/23/43/98/1035234398.db2.gz FZDWSDFFBWVQJK-UHFFFAOYSA-N 1 1 316.189 3.961 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(Br)c(F)c1F)C(C)(C)C ZINC001176287486 1035234403 /nfs/dbraw/zinc/23/44/03/1035234403.db2.gz FZDWSDFFBWVQJK-UHFFFAOYSA-N 1 1 316.189 3.961 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000160794173 1035238901 /nfs/dbraw/zinc/23/89/01/1035238901.db2.gz MDNKUQDWRVGMLE-GOSISDBHSA-N 1 1 302.393 3.621 20 30 DHEDMO CC1=C(C)C[N@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000483373379 1035262095 /nfs/dbraw/zinc/26/20/95/1035262095.db2.gz VYRQLEQOIABOLS-UHFFFAOYSA-N 1 1 305.219 3.863 20 30 DHEDMO CC1=C(C)C[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000483373379 1035262100 /nfs/dbraw/zinc/26/21/00/1035262100.db2.gz VYRQLEQOIABOLS-UHFFFAOYSA-N 1 1 305.219 3.863 20 30 DHEDMO COc1ccccc1C[N@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000160925956 1035272039 /nfs/dbraw/zinc/27/20/39/1035272039.db2.gz YFTCIHHPDONKQU-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO COc1ccccc1C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000160925956 1035272045 /nfs/dbraw/zinc/27/20/45/1035272045.db2.gz YFTCIHHPDONKQU-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO CC(C)[N@@H+](CC#Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000483514303 1035276324 /nfs/dbraw/zinc/27/63/24/1035276324.db2.gz RQNAANGXSVRFAP-UHFFFAOYSA-N 1 1 308.381 3.857 20 30 DHEDMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1ccc(C#N)c(F)c1 ZINC000483516299 1035277567 /nfs/dbraw/zinc/27/75/67/1035277567.db2.gz GEVBHJVNZNAEJU-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000483602169 1035282554 /nfs/dbraw/zinc/28/25/54/1035282554.db2.gz QIKFWVQKIWMHRO-FQEVSTJZSA-N 1 1 305.421 3.754 20 30 DHEDMO COc1cccc(C2=CC[N@H+](CC#Cc3ccccc3)CC2)c1 ZINC000483598539 1035282631 /nfs/dbraw/zinc/28/26/31/1035282631.db2.gz NNPPGPPTYBECRD-UHFFFAOYSA-N 1 1 303.405 3.836 20 30 DHEDMO COc1cccc(C2=CC[N@@H+](CC#Cc3ccccc3)CC2)c1 ZINC000483598539 1035282637 /nfs/dbraw/zinc/28/26/37/1035282637.db2.gz NNPPGPPTYBECRD-UHFFFAOYSA-N 1 1 303.405 3.836 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cc(O)cc(Cl)c3)sc2C1 ZINC001176619906 1035302282 /nfs/dbraw/zinc/30/22/82/1035302282.db2.gz BVMGQPGJZBPDCK-UHFFFAOYSA-N 1 1 319.817 3.710 20 30 DHEDMO CC(C)[C@H](CO)[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000483952082 1035310298 /nfs/dbraw/zinc/31/02/98/1035310298.db2.gz GYUOMHDVKVDOOG-NRFANRHFSA-N 1 1 307.437 3.557 20 30 DHEDMO Clc1ccccc1O[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000484093188 1035317982 /nfs/dbraw/zinc/31/79/82/1035317982.db2.gz BOFAOTLQKNHVOS-KRWDZBQOSA-N 1 1 311.812 3.845 20 30 DHEDMO Clc1ccccc1O[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000484093188 1035317984 /nfs/dbraw/zinc/31/79/84/1035317984.db2.gz BOFAOTLQKNHVOS-KRWDZBQOSA-N 1 1 311.812 3.845 20 30 DHEDMO Cc1cccnc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001176899366 1035338204 /nfs/dbraw/zinc/33/82/04/1035338204.db2.gz ZCMUQKNNIWRIIF-GFCCVEGCSA-N 1 1 317.339 3.714 20 30 DHEDMO CC(C)c1ccc2c(c1)CC[N@H+](C[C@@H](O)CC1(C#N)CCC1)C2 ZINC001177027491 1035344622 /nfs/dbraw/zinc/34/46/22/1035344622.db2.gz LTZCFUFBHJVMBS-IBGZPJMESA-N 1 1 312.457 3.613 20 30 DHEDMO C=CCOc1cccc(CNC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC001178249089 1035416540 /nfs/dbraw/zinc/41/65/40/1035416540.db2.gz HULCOZPEPJPDAE-LJQANCHMSA-N 1 1 316.489 3.709 20 30 DHEDMO C=CCOc1cccc(CNC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC001178249089 1035416542 /nfs/dbraw/zinc/41/65/42/1035416542.db2.gz HULCOZPEPJPDAE-LJQANCHMSA-N 1 1 316.489 3.709 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H](OC)c2cccc(Cl)c2)no1 ZINC000904618683 1035432356 /nfs/dbraw/zinc/43/23/56/1035432356.db2.gz WBFOQRYKHJNUML-ZIAGYGMSSA-N 1 1 321.808 3.815 20 30 DHEDMO CCCCCCCC[C@H]([NH3+])c1nc(Cc2cncs2)no1 ZINC000904711381 1035446386 /nfs/dbraw/zinc/44/63/86/1035446386.db2.gz IAKBSDJKYUPJCG-ZDUSSCGKSA-N 1 1 308.451 3.867 20 30 DHEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2ccc(C)nn2)no1 ZINC000904732606 1035450199 /nfs/dbraw/zinc/45/01/99/1035450199.db2.gz IRPIHCFTTBYGBZ-ZDUSSCGKSA-N 1 1 303.410 3.585 20 30 DHEDMO C=CC[N@H+](C[C@H](O)COCc1cccs1)CC1CCCCC1 ZINC000485014723 1035458188 /nfs/dbraw/zinc/45/81/88/1035458188.db2.gz FWVSZMIGGICIOI-KRWDZBQOSA-N 1 1 323.502 3.694 20 30 DHEDMO C#CCC[NH+]1CCN(Cc2c(C)ccc3cc(C)ccc32)CC1 ZINC001193044821 1035535871 /nfs/dbraw/zinc/53/58/71/1035535871.db2.gz QHXOYEPHELRZDU-UHFFFAOYSA-N 1 1 306.453 3.598 20 30 DHEDMO CN1CC[N@@H+](CCCCC2(C#N)CCC2)[C@H](c2ccccc2)C1 ZINC001193023008 1035541516 /nfs/dbraw/zinc/54/15/16/1035541516.db2.gz YLVGVZPVRVBBLX-IBGZPJMESA-N 1 1 311.473 3.839 20 30 DHEDMO C[N@@H+]1CCN(CCCCC2(C#N)CCC2)[C@H](c2ccccc2)C1 ZINC001193023008 1035541528 /nfs/dbraw/zinc/54/15/28/1035541528.db2.gz YLVGVZPVRVBBLX-IBGZPJMESA-N 1 1 311.473 3.839 20 30 DHEDMO C[N@H+]1CCN(CCCCC2(C#N)CCC2)[C@H](c2ccccc2)C1 ZINC001193023008 1035541543 /nfs/dbraw/zinc/54/15/43/1035541543.db2.gz YLVGVZPVRVBBLX-IBGZPJMESA-N 1 1 311.473 3.839 20 30 DHEDMO CN1CC[N@@H+](CCCCC2(C#N)CCC2)[C@@H](c2ccccc2)C1 ZINC001193023012 1035542123 /nfs/dbraw/zinc/54/21/23/1035542123.db2.gz YLVGVZPVRVBBLX-LJQANCHMSA-N 1 1 311.473 3.839 20 30 DHEDMO C[N@@H+]1CCN(CCCCC2(C#N)CCC2)[C@@H](c2ccccc2)C1 ZINC001193023012 1035542128 /nfs/dbraw/zinc/54/21/28/1035542128.db2.gz YLVGVZPVRVBBLX-LJQANCHMSA-N 1 1 311.473 3.839 20 30 DHEDMO C[N@H+]1CCN(CCCCC2(C#N)CCC2)[C@@H](c2ccccc2)C1 ZINC001193023012 1035542135 /nfs/dbraw/zinc/54/21/35/1035542135.db2.gz YLVGVZPVRVBBLX-LJQANCHMSA-N 1 1 311.473 3.839 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1C[C@]1(C)Br ZINC001180030510 1035569616 /nfs/dbraw/zinc/56/96/16/1035569616.db2.gz NUIVVSCQVSGZHE-KBPBESRZSA-N 1 1 301.272 3.812 20 30 DHEDMO C#CC[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)CC1CC1 ZINC001180116807 1035600511 /nfs/dbraw/zinc/60/05/11/1035600511.db2.gz LTLIOYGROWEDTL-UHFFFAOYSA-N 1 1 310.363 3.617 20 30 DHEDMO Cc1cccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1F ZINC001180184898 1035606782 /nfs/dbraw/zinc/60/67/82/1035606782.db2.gz UAFFIQAPTGKPGD-UHFFFAOYSA-N 1 1 323.415 3.718 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@H]2CC)c1 ZINC001180161604 1035614345 /nfs/dbraw/zinc/61/43/45/1035614345.db2.gz IZQYBDZFKNOIFP-QZTJIDSGSA-N 1 1 312.457 3.755 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192044471 1035749773 /nfs/dbraw/zinc/74/97/73/1035749773.db2.gz SRRIWGYLEMCFKE-CQSZACIVSA-N 1 1 312.388 3.769 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000929827536 1035759376 /nfs/dbraw/zinc/75/93/76/1035759376.db2.gz CWBYDQOYUXKSFF-GOSISDBHSA-N 1 1 312.438 3.810 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000929827536 1035759390 /nfs/dbraw/zinc/75/93/90/1035759390.db2.gz CWBYDQOYUXKSFF-GOSISDBHSA-N 1 1 312.438 3.810 20 30 DHEDMO O=C(C[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1)c1cccs1 ZINC000192114915 1035764459 /nfs/dbraw/zinc/76/44/59/1035764459.db2.gz KJDQMABNRUYRNT-KRWDZBQOSA-N 1 1 309.434 3.837 20 30 DHEDMO O=C(C[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)c1cccs1 ZINC000192114915 1035764472 /nfs/dbraw/zinc/76/44/72/1035764472.db2.gz KJDQMABNRUYRNT-KRWDZBQOSA-N 1 1 309.434 3.837 20 30 DHEDMO C#C[C@@H](C)N(C)C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001193919560 1035770399 /nfs/dbraw/zinc/77/03/99/1035770399.db2.gz BFQHRIBLRXHPJX-KNQAVFIVSA-N 1 1 320.480 3.856 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)Cc1ccccc1C(F)(F)F ZINC001193920935 1035772585 /nfs/dbraw/zinc/77/25/85/1035772585.db2.gz RDDOWMIZLOPYRH-UHFFFAOYSA-N 1 1 300.368 3.645 20 30 DHEDMO C=CCN(C)CC[N@@H+](CC)Cc1ccccc1C(F)(F)F ZINC001193920935 1035772597 /nfs/dbraw/zinc/77/25/97/1035772597.db2.gz RDDOWMIZLOPYRH-UHFFFAOYSA-N 1 1 300.368 3.645 20 30 DHEDMO C=CCN(C)CC[N@H+](CC)Cc1ccccc1C(F)(F)F ZINC001193920935 1035772610 /nfs/dbraw/zinc/77/26/10/1035772610.db2.gz RDDOWMIZLOPYRH-UHFFFAOYSA-N 1 1 300.368 3.645 20 30 DHEDMO CCCCCCCOC(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001193995869 1035812740 /nfs/dbraw/zinc/81/27/40/1035812740.db2.gz ZTIMBANYNYBSIR-UHFFFAOYSA-N 1 1 308.466 3.511 20 30 DHEDMO C=CCCCC[C@H](C)[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C ZINC001181056084 1035814931 /nfs/dbraw/zinc/81/49/31/1035814931.db2.gz OSRMQHWAOZKXIT-ZDUSSCGKSA-N 1 1 320.424 3.871 20 30 DHEDMO C=CCCCC[C@@H](C)[NH2+]CC(F)(F)CNC(=O)OC(C)(C)C ZINC001181056082 1035816516 /nfs/dbraw/zinc/81/65/16/1035816516.db2.gz OSRMQHWAOZKXIT-CYBMUJFWSA-N 1 1 320.424 3.871 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000539728772 1035839923 /nfs/dbraw/zinc/83/99/23/1035839923.db2.gz BEZNCIBNSAKKLF-SFHVURJKSA-N 1 1 303.833 3.583 20 30 DHEDMO CCCCCCC[C@H](C)C(=O)NCc1[nH+]cn2ccccc12 ZINC001181132712 1035845905 /nfs/dbraw/zinc/84/59/05/1035845905.db2.gz HNAUXHPVMVIYKH-HNNXBMFYSA-N 1 1 301.434 3.947 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)C(CC)(CC)c1ccccc1 ZINC001181159516 1035852431 /nfs/dbraw/zinc/85/24/31/1035852431.db2.gz VQVPIYTVAXWLHE-SFHVURJKSA-N 1 1 314.473 3.511 20 30 DHEDMO C=CCCCCC[N@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000193300566 1035857550 /nfs/dbraw/zinc/85/75/50/1035857550.db2.gz QHAOSBXMFJUYJO-UHFFFAOYSA-N 1 1 310.388 3.972 20 30 DHEDMO N#CCC1(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccccc2)CC1 ZINC001194281089 1035884446 /nfs/dbraw/zinc/88/44/46/1035884446.db2.gz ZCXUWCMBEKAHBJ-HXUWFJFHSA-N 1 1 320.436 3.916 20 30 DHEDMO C=CCOC(=O)N1CCC([N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC001194310854 1035899019 /nfs/dbraw/zinc/89/90/19/1035899019.db2.gz CEPWBUYEJFUICS-UHFFFAOYSA-N 1 1 322.836 3.559 20 30 DHEDMO N#C[C@H](c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000149132494 1035915992 /nfs/dbraw/zinc/91/59/92/1035915992.db2.gz XAKHSBDMNYYOQU-TYOLEZHBSA-N 1 1 317.436 3.582 20 30 DHEDMO CCC(CC)COC(=O)Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001194683664 1035994069 /nfs/dbraw/zinc/99/40/69/1035994069.db2.gz FMBHGRHBBFBFLV-UHFFFAOYSA-N 1 1 321.446 3.592 20 30 DHEDMO CCC(CC)COC(=O)Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001194683664 1035994072 /nfs/dbraw/zinc/99/40/72/1035994072.db2.gz FMBHGRHBBFBFLV-UHFFFAOYSA-N 1 1 321.446 3.592 20 30 DHEDMO C#CC[N@H+](Cc1nc2ccc(OC)cc2s1)C1CCCC1 ZINC000775612866 1036050012 /nfs/dbraw/zinc/05/00/12/1036050012.db2.gz HRJCPNOZQOKFER-UHFFFAOYSA-N 1 1 300.427 3.683 20 30 DHEDMO C=C(Br)C[N@@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000761740306 1036050521 /nfs/dbraw/zinc/05/05/21/1036050521.db2.gz LOXCCAYBZCMNBN-GFCCVEGCSA-N 1 1 312.251 3.714 20 30 DHEDMO C=C(Br)C[N@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000761740306 1036050538 /nfs/dbraw/zinc/05/05/38/1036050538.db2.gz LOXCCAYBZCMNBN-GFCCVEGCSA-N 1 1 312.251 3.714 20 30 DHEDMO C[C@H](C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000761757758 1036091168 /nfs/dbraw/zinc/09/11/68/1036091168.db2.gz NSKIBAIJWJQYNR-OXQOHEQNSA-N 1 1 306.409 3.735 20 30 DHEDMO C=CCCCNC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001182246226 1036144726 /nfs/dbraw/zinc/14/47/26/1036144726.db2.gz SGTXDEYRVYHQNN-HXUWFJFHSA-N 1 1 322.452 3.942 20 30 DHEDMO C=CCCCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001182246226 1036144737 /nfs/dbraw/zinc/14/47/37/1036144737.db2.gz SGTXDEYRVYHQNN-HXUWFJFHSA-N 1 1 322.452 3.942 20 30 DHEDMO CC(C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CCCCC1 ZINC000491300891 1036170855 /nfs/dbraw/zinc/17/08/55/1036170855.db2.gz OUWIZJMMMIJEJJ-UHFFFAOYSA-N 1 1 313.445 3.930 20 30 DHEDMO C=CC[C@H](C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000495009781 1036182781 /nfs/dbraw/zinc/18/27/81/1036182781.db2.gz VGZDUDREWVAAAF-SCTDSRPQSA-N 1 1 314.473 3.583 20 30 DHEDMO C=C[C@H](CC)CC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001127247499 1036230407 /nfs/dbraw/zinc/23/04/07/1036230407.db2.gz XLPNTJXCOMGVCX-KZNAEPCWSA-N 1 1 314.473 3.710 20 30 DHEDMO C=C[C@H](CC)CC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001127247502 1036231297 /nfs/dbraw/zinc/23/12/97/1036231297.db2.gz XLPNTJXCOMGVCX-OKZBNKHCSA-N 1 1 314.473 3.710 20 30 DHEDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC001195426390 1036253187 /nfs/dbraw/zinc/25/31/87/1036253187.db2.gz NYRBRCPERVQWIA-QRVBRYPASA-N 1 1 312.457 3.740 20 30 DHEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000541274285 1036280755 /nfs/dbraw/zinc/28/07/55/1036280755.db2.gz RGOBWGTXFHOMQT-FQEVSTJZSA-N 1 1 320.436 3.968 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC001195695465 1036320445 /nfs/dbraw/zinc/32/04/45/1036320445.db2.gz XJBTVMHOKUTVTP-CQSZACIVSA-N 1 1 324.399 3.868 20 30 DHEDMO C[C@@H](NCc1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272219325 1036338920 /nfs/dbraw/zinc/33/89/20/1036338920.db2.gz RPYKOEZJIVIXCF-UTKZUKDTSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@@H](NCc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272219325 1036338939 /nfs/dbraw/zinc/33/89/39/1036338939.db2.gz RPYKOEZJIVIXCF-UTKZUKDTSA-N 1 1 319.452 3.558 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc3[nH]cnc3c2)C2CC2)cc1 ZINC000541555287 1036363705 /nfs/dbraw/zinc/36/37/05/1036363705.db2.gz VCTHBDCXDZOROB-UHFFFAOYSA-N 1 1 302.381 3.599 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccc3nc[nH]c3c2)C2CC2)cc1 ZINC000541555287 1036363724 /nfs/dbraw/zinc/36/37/24/1036363724.db2.gz VCTHBDCXDZOROB-UHFFFAOYSA-N 1 1 302.381 3.599 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc3nc[nH]c3c2)C2CC2)cc1 ZINC000541555287 1036363740 /nfs/dbraw/zinc/36/37/40/1036363740.db2.gz VCTHBDCXDZOROB-UHFFFAOYSA-N 1 1 302.381 3.599 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@@H+](CCCO)Cc1ccccc1 ZINC000486788964 1036408119 /nfs/dbraw/zinc/40/81/19/1036408119.db2.gz PGEQISZYJZZJTP-UHFFFAOYSA-N 1 1 322.452 3.872 20 30 DHEDMO Cc1cc(C2CC[NH+](CCC#N)CC2)ccc1Br ZINC000495261486 1036415558 /nfs/dbraw/zinc/41/55/58/1036415558.db2.gz YHASRFXGXRPJTG-UHFFFAOYSA-N 1 1 307.235 3.851 20 30 DHEDMO C=CC[N@@H+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)[C@@H](C)COC ZINC001196048500 1036430783 /nfs/dbraw/zinc/43/07/83/1036430783.db2.gz WOTIQNKILWTQJC-WDSOQIARSA-N 1 1 303.446 3.820 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@](C)(c3cccc(F)c3)C2)ccc1C#N ZINC001182753023 1036435861 /nfs/dbraw/zinc/43/58/61/1036435861.db2.gz DJFHWILZMPPLDS-FQEVSTJZSA-N 1 1 324.399 3.870 20 30 DHEDMO CC#CCCCCCCCC(=O)NCc1[nH+]cn2ccccc12 ZINC001182772499 1036457107 /nfs/dbraw/zinc/45/71/07/1036457107.db2.gz YCCGLVMUTCTNSB-UHFFFAOYSA-N 1 1 311.429 3.705 20 30 DHEDMO Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC(CC#N)CC2)n1 ZINC000541951352 1036470780 /nfs/dbraw/zinc/47/07/80/1036470780.db2.gz CFOBMEUORFJCPS-AWEZNQCLSA-N 1 1 310.401 3.732 20 30 DHEDMO C#CCCCCCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001196219038 1036476814 /nfs/dbraw/zinc/47/68/14/1036476814.db2.gz UUUJCMHKMKDORT-DLBZAZTESA-N 1 1 307.478 3.870 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc2c1OCC2 ZINC000542128218 1036511814 /nfs/dbraw/zinc/51/18/14/1036511814.db2.gz IQHOSZMUKRPHRB-UHFFFAOYSA-N 1 1 312.800 3.779 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc2c1OCC2 ZINC000542128218 1036511828 /nfs/dbraw/zinc/51/18/28/1036511828.db2.gz IQHOSZMUKRPHRB-UHFFFAOYSA-N 1 1 312.800 3.779 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001183065939 1036516091 /nfs/dbraw/zinc/51/60/91/1036516091.db2.gz SMHXPZSYYGSZNQ-BBWFWOEESA-N 1 1 322.493 3.920 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)C2 ZINC001183179795 1036533736 /nfs/dbraw/zinc/53/37/36/1036533736.db2.gz IKDNQMWPFBPFNG-PZJWPPBQSA-N 1 1 302.421 3.914 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000774603413 1036546038 /nfs/dbraw/zinc/54/60/38/1036546038.db2.gz SDFAEDSNYNQWOY-HOTGVXAUSA-N 1 1 310.482 3.920 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC000303622351 1036606373 /nfs/dbraw/zinc/60/63/73/1036606373.db2.gz XEPLLFIIXDCNRH-HNNXBMFYSA-N 1 1 306.425 3.633 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(F)cc1 ZINC000491631558 1036615677 /nfs/dbraw/zinc/61/56/77/1036615677.db2.gz OFAOVCVEAYVGGH-LIRRHRJNSA-N 1 1 308.356 3.581 20 30 DHEDMO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nnc2n1CCCCC2 ZINC000271888332 1036619002 /nfs/dbraw/zinc/61/90/02/1036619002.db2.gz RGEKYKHIAHPNCU-YOEHRIQHSA-N 1 1 323.444 3.678 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(OC)c1C)c1ccc(F)cc1 ZINC000491703745 1036628153 /nfs/dbraw/zinc/62/81/53/1036628153.db2.gz OBLOPWKTWMNQIK-KRWDZBQOSA-N 1 1 313.372 3.615 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1 ZINC000491777290 1036641946 /nfs/dbraw/zinc/64/19/46/1036641946.db2.gz WULRAIVBUIHSGZ-MRXNPFEDSA-N 1 1 315.800 3.821 20 30 DHEDMO C=C(C)CN1CCC([NH2+]Cc2cccc(Cl)c2OCC)CC1 ZINC000487306899 1036659791 /nfs/dbraw/zinc/65/97/91/1036659791.db2.gz XWAZJAAXIDXWBC-UHFFFAOYSA-N 1 1 322.880 3.869 20 30 DHEDMO C=CC[C@@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC001183754960 1036671302 /nfs/dbraw/zinc/67/13/02/1036671302.db2.gz BLJNCAPSPCGOEF-WOJBJXKFSA-N 1 1 320.436 3.695 20 30 DHEDMO C=CC[C@@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC001183754960 1036671312 /nfs/dbraw/zinc/67/13/12/1036671312.db2.gz BLJNCAPSPCGOEF-WOJBJXKFSA-N 1 1 320.436 3.695 20 30 DHEDMO CCCCCCCC[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001273739207 1036709618 /nfs/dbraw/zinc/70/96/18/1036709618.db2.gz ZQUMIMCWERWPFE-BDXSIMOUSA-N 1 1 306.494 3.678 20 30 DHEDMO CC[C@H](C[N@@H+](CC)Cn1ccc(C)c(C#N)c1=O)c1ccccc1 ZINC000774703701 1036726706 /nfs/dbraw/zinc/72/67/06/1036726706.db2.gz PRMPAUGHVBOQDT-QGZVFWFLSA-N 1 1 323.440 3.502 20 30 DHEDMO C#CC[N@@H+](Cc1cccc(CNC(=O)OC(C)(C)C)c1)C(C)C ZINC001184115334 1036752189 /nfs/dbraw/zinc/75/21/89/1036752189.db2.gz DDUGDLMNSCYMQP-UHFFFAOYSA-N 1 1 316.445 3.555 20 30 DHEDMO CC[C@@H](C#N)Oc1cccc(CNc2[nH+]c3ccccc3n2C)c1 ZINC000762531823 1036810208 /nfs/dbraw/zinc/81/02/08/1036810208.db2.gz BXSFUPOUBQMSRN-HNNXBMFYSA-N 1 1 320.396 3.866 20 30 DHEDMO C=CC[N@@H+](CCOC[C@H]1CCCO1)Cc1ccc(Cl)s1 ZINC000152104871 1036876356 /nfs/dbraw/zinc/87/63/56/1036876356.db2.gz DRAHNUUZEKLMQN-CYBMUJFWSA-N 1 1 315.866 3.585 20 30 DHEDMO C=CC[N@H+](CCOC[C@H]1CCCO1)Cc1ccc(Cl)s1 ZINC000152104871 1036876377 /nfs/dbraw/zinc/87/63/77/1036876377.db2.gz DRAHNUUZEKLMQN-CYBMUJFWSA-N 1 1 315.866 3.585 20 30 DHEDMO Cc1cc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)ccc1C#N ZINC000488174438 1036885422 /nfs/dbraw/zinc/88/54/22/1036885422.db2.gz HVRONFHDLCTTLN-OAQYLSRUSA-N 1 1 320.436 3.739 20 30 DHEDMO Cc1cc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)ccc1C#N ZINC000488174437 1036886518 /nfs/dbraw/zinc/88/65/18/1036886518.db2.gz HVRONFHDLCTTLN-NRFANRHFSA-N 1 1 320.436 3.739 20 30 DHEDMO Cc1cc(C[N@H+](Cc2ccccc2)[C@@H](CO)C(C)C)ccc1C#N ZINC000488188913 1036889157 /nfs/dbraw/zinc/88/91/57/1036889157.db2.gz ZCFIMXCOLCZAJY-NRFANRHFSA-N 1 1 322.452 3.886 20 30 DHEDMO CC[C@@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492699180 1036971899 /nfs/dbraw/zinc/97/18/99/1036971899.db2.gz VVHVITDYLDZRBL-HNNXBMFYSA-N 1 1 307.235 3.943 20 30 DHEDMO C=CCCC[N@H+](CC)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC001198457793 1037024514 /nfs/dbraw/zinc/02/45/14/1037024514.db2.gz KOQUHIVJCDJCHZ-UHFFFAOYSA-N 1 1 304.825 3.709 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488449268 1037033037 /nfs/dbraw/zinc/03/30/37/1037033037.db2.gz PBKJZYXTSXLQSL-SFHVURJKSA-N 1 1 306.409 3.865 20 30 DHEDMO C#CCCCCCC[N@@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)OCC)[C@H]1C ZINC001198668028 1037103308 /nfs/dbraw/zinc/10/33/08/1037103308.db2.gz SICPEOLYTYEWNH-MLHJIOFPSA-N 1 1 307.478 3.868 20 30 DHEDMO C=CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000488685397 1037106455 /nfs/dbraw/zinc/10/64/55/1037106455.db2.gz AHKRNNBLFVQOOT-HXUWFJFHSA-N 1 1 322.452 3.595 20 30 DHEDMO CC(C)(C)[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC001198799968 1037138772 /nfs/dbraw/zinc/13/87/72/1037138772.db2.gz GNAPCJPIGRCTIO-QGZVFWFLSA-N 1 1 305.849 3.829 20 30 DHEDMO CC(C)(C)[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)CCO1 ZINC001198799968 1037138776 /nfs/dbraw/zinc/13/87/76/1037138776.db2.gz GNAPCJPIGRCTIO-QGZVFWFLSA-N 1 1 305.849 3.829 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)C1CCCCC1 ZINC000027285504 1037175961 /nfs/dbraw/zinc/17/59/61/1037175961.db2.gz UNEDYUIECGKYMY-UHFFFAOYSA-N 1 1 305.447 3.603 20 30 DHEDMO C[N@H+](CC#Cc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000026984325 1037258776 /nfs/dbraw/zinc/25/87/76/1037258776.db2.gz PQUAPUMMXIRMPT-UHFFFAOYSA-N 1 1 318.464 3.635 20 30 DHEDMO C[N@@H+](CC#Cc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000026984325 1037258786 /nfs/dbraw/zinc/25/87/86/1037258786.db2.gz PQUAPUMMXIRMPT-UHFFFAOYSA-N 1 1 318.464 3.635 20 30 DHEDMO Cc1ccccc1OCC[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000121534776 1037279508 /nfs/dbraw/zinc/27/95/08/1037279508.db2.gz ANNLUQWFLPSCOU-KRWDZBQOSA-N 1 1 324.424 3.797 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000776016217 1037312540 /nfs/dbraw/zinc/31/25/40/1037312540.db2.gz ZNWZNQVZCAZUPQ-XJKSGUPXSA-N 1 1 311.347 3.861 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000489404346 1037398778 /nfs/dbraw/zinc/39/87/78/1037398778.db2.gz PBIVVGHROVFSEM-OAHLLOKOSA-N 1 1 313.401 3.594 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000489404346 1037398793 /nfs/dbraw/zinc/39/87/93/1037398793.db2.gz PBIVVGHROVFSEM-OAHLLOKOSA-N 1 1 313.401 3.594 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1C(C)(C)C ZINC000489410849 1037414327 /nfs/dbraw/zinc/41/43/27/1037414327.db2.gz ZYSMWZHWVCCMHJ-OAHLLOKOSA-N 1 1 300.446 3.963 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1C(C)(C)C ZINC000489410849 1037414336 /nfs/dbraw/zinc/41/43/36/1037414336.db2.gz ZYSMWZHWVCCMHJ-OAHLLOKOSA-N 1 1 300.446 3.963 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000489438205 1037431789 /nfs/dbraw/zinc/43/17/89/1037431789.db2.gz PADICFXFAZHPNM-UONOGXRCSA-N 1 1 306.837 3.558 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000489438205 1037431794 /nfs/dbraw/zinc/43/17/94/1037431794.db2.gz PADICFXFAZHPNM-UONOGXRCSA-N 1 1 306.837 3.558 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000489440075 1037435054 /nfs/dbraw/zinc/43/50/54/1037435054.db2.gz ORFUWJMADDOITC-IEBWSBKVSA-N 1 1 312.457 3.611 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000489458787 1037441192 /nfs/dbraw/zinc/44/11/92/1037441192.db2.gz FFHRLXOAFQWAAL-OAHLLOKOSA-N 1 1 313.401 3.676 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000489458787 1037441196 /nfs/dbraw/zinc/44/11/96/1037441196.db2.gz FFHRLXOAFQWAAL-OAHLLOKOSA-N 1 1 313.401 3.676 20 30 DHEDMO CC[N@@H+](CCOCC(F)(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000194309022 1037441824 /nfs/dbraw/zinc/44/18/24/1037441824.db2.gz RPNQSUNAGNNVOK-GFCCVEGCSA-N 1 1 300.324 3.520 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000489473159 1037449468 /nfs/dbraw/zinc/44/94/68/1037449468.db2.gz IMVPEQAYZFWMIA-HUUCEWRRSA-N 1 1 313.363 3.649 20 30 DHEDMO CC[C@@](C)([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1nccs1 ZINC000152646647 1037477536 /nfs/dbraw/zinc/47/75/36/1037477536.db2.gz DSYPPSPXBOHQDX-CXAGYDPISA-N 1 1 315.442 3.849 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)c1cc(C(C)C)nc(C(C)C)n1 ZINC001186854630 1037520691 /nfs/dbraw/zinc/52/06/91/1037520691.db2.gz NEZHNYPBZNDBAS-UHFFFAOYSA-N 1 1 304.482 3.668 20 30 DHEDMO C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1C#N)C1CCCCC1 ZINC001186977658 1037538109 /nfs/dbraw/zinc/53/81/09/1037538109.db2.gz VBSWZDNRKSMWBP-NVXWUHKLSA-N 1 1 311.429 3.549 20 30 DHEDMO Clc1ccc(N[NH+]=Cc2ccccc2N2CCOCC2)cc1 ZINC000912773252 1037568289 /nfs/dbraw/zinc/56/82/89/1037568289.db2.gz DBSGSUCCOHDKEA-UHFFFAOYSA-N 1 1 315.804 3.623 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC#Cc1ccccc1 ZINC000398000483 1037575949 /nfs/dbraw/zinc/57/59/49/1037575949.db2.gz VRNDYRULILXLTR-SIKLNZKXSA-N 1 1 318.464 3.538 20 30 DHEDMO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000398000483 1037575980 /nfs/dbraw/zinc/57/59/80/1037575980.db2.gz VRNDYRULILXLTR-SIKLNZKXSA-N 1 1 318.464 3.538 20 30 DHEDMO Cc1ccc(N=NC2C[N@H+](Cc3ccccc3)CC[C@H]2C)nc1 ZINC000776181390 1037651667 /nfs/dbraw/zinc/65/16/67/1037651667.db2.gz WBMBGCRGLJBTME-MRXNPFEDSA-N 1 1 308.429 3.700 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000775135549 1037686338 /nfs/dbraw/zinc/68/63/38/1037686338.db2.gz GVMLGXSHYDLTSK-JSGCOSHPSA-N 1 1 312.335 3.752 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000490363107 1037689682 /nfs/dbraw/zinc/68/96/82/1037689682.db2.gz GBBXUGAFKTUONA-FOIQADDNSA-N 1 1 306.409 3.865 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NC[C@@H]2CC(C)(C)O2)cc1 ZINC001168461045 1037702110 /nfs/dbraw/zinc/70/21/10/1037702110.db2.gz VFKSAMQTKGZUCW-ROUUACIJSA-N 1 1 300.446 3.989 20 30 DHEDMO C#CC[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCc2ccccc21 ZINC000490636949 1037764259 /nfs/dbraw/zinc/76/42/59/1037764259.db2.gz OXTAPSQIWHVVJA-FQEVSTJZSA-N 1 1 322.452 3.710 20 30 DHEDMO CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCCC#N ZINC001273552255 1037783896 /nfs/dbraw/zinc/78/38/96/1037783896.db2.gz UOLJNEAHCSQCLX-BZSNNMDCSA-N 1 1 319.493 3.572 20 30 DHEDMO CCCCCCCCCCC[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001201630989 1037799848 /nfs/dbraw/zinc/79/98/48/1037799848.db2.gz KJKQFZAHCWCYAT-LJQANCHMSA-N 1 1 310.526 3.924 20 30 DHEDMO CCC[N@H+](Cc1ccc(C)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763397993 1037815431 /nfs/dbraw/zinc/81/54/31/1037815431.db2.gz GMMRPXDUMUHYSM-FQEVSTJZSA-N 1 1 308.425 3.812 20 30 DHEDMO CCC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCc2ccccc21 ZINC000763407989 1037823022 /nfs/dbraw/zinc/82/30/22/1037823022.db2.gz NFPZDGPUIKDCPE-SFTDATJTSA-N 1 1 320.436 3.991 20 30 DHEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@H](O)c1ccc(C#N)cc1 ZINC000763413692 1037834148 /nfs/dbraw/zinc/83/41/48/1037834148.db2.gz MTEWBRFYHHAPBX-RTWAWAEBSA-N 1 1 322.452 3.935 20 30 DHEDMO C=C[C@H](CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000123821719 1037867948 /nfs/dbraw/zinc/86/79/48/1037867948.db2.gz IRTWTANPFPFOEF-ZWKOTPCHSA-N 1 1 314.473 3.727 20 30 DHEDMO CCCCCCCC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000913506388 1037888876 /nfs/dbraw/zinc/88/88/76/1037888876.db2.gz VIGKNUWGMWFBCX-UHFFFAOYSA-N 1 1 302.462 3.521 20 30 DHEDMO C=CC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)n2C)CC1 ZINC000186336272 1037891304 /nfs/dbraw/zinc/89/13/04/1037891304.db2.gz RWTGMGQNCCNVIQ-UHFFFAOYSA-N 1 1 316.836 3.534 20 30 DHEDMO CCCCCCCC[N@@H+]1Cc2cnn(CC)c2[C@@H](COC)C1 ZINC001201814828 1037902296 /nfs/dbraw/zinc/90/22/96/1037902296.db2.gz SOGZSOHBYODQCY-QGZVFWFLSA-N 1 1 307.482 3.809 20 30 DHEDMO C=C(C)[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000186450417 1037904556 /nfs/dbraw/zinc/90/45/56/1037904556.db2.gz HGVLGIQAORIBCC-DAYGRLMNSA-N 1 1 306.400 3.798 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O ZINC000491072388 1037905295 /nfs/dbraw/zinc/90/52/95/1037905295.db2.gz RVMSYGWKPJSVHD-UHFFFAOYSA-N 1 1 302.377 3.576 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001201777309 1037905479 /nfs/dbraw/zinc/90/54/79/1037905479.db2.gz VRIJSEDEZKGTJY-SFHVURJKSA-N 1 1 319.493 3.712 20 30 DHEDMO CCCCCCCC[N@H+]1CCn2ncc(Br)c2C1 ZINC001201839442 1037917764 /nfs/dbraw/zinc/91/77/64/1037917764.db2.gz DEADTSVYXVJCGB-UHFFFAOYSA-N 1 1 314.271 3.822 20 30 DHEDMO CCCCCCCCC[N@@H+]1CCn2c(COC(C)C)nnc2C1 ZINC001201839612 1037918130 /nfs/dbraw/zinc/91/81/30/1037918130.db2.gz NYKOFNPSDYIMRA-UHFFFAOYSA-N 1 1 322.497 3.769 20 30 DHEDMO CCCCCCCCC[N@H+]1CCn2c(COC(C)C)nnc2C1 ZINC001201839612 1037918144 /nfs/dbraw/zinc/91/81/44/1037918144.db2.gz NYKOFNPSDYIMRA-UHFFFAOYSA-N 1 1 322.497 3.769 20 30 DHEDMO Cn1cc(C[N@@H+](C)CC2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000491117984 1037919212 /nfs/dbraw/zinc/91/92/12/1037919212.db2.gz ZKNQMAWXMNSFHC-UHFFFAOYSA-N 1 1 322.456 3.971 20 30 DHEDMO C=CCCCN(C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000125300620 1037931758 /nfs/dbraw/zinc/93/17/58/1037931758.db2.gz HANZXAOYRVWKPT-UHFFFAOYSA-N 1 1 317.477 3.634 20 30 DHEDMO Cc1cc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)ccc1F ZINC000570885603 1037935622 /nfs/dbraw/zinc/93/56/22/1037935622.db2.gz IDGWGGKGWZEDLX-UHFFFAOYSA-N 1 1 312.388 3.654 20 30 DHEDMO N#Cc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)ccn1 ZINC000586776471 1037951244 /nfs/dbraw/zinc/95/12/44/1037951244.db2.gz CWLRPLCFRPIITD-ZCNNSNEGSA-N 1 1 303.409 3.721 20 30 DHEDMO Cc1ccc(C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C2CC2)cc1C ZINC000156494675 1038121364 /nfs/dbraw/zinc/12/13/64/1038121364.db2.gz GTIVAVCEGGJYNW-OAQYLSRUSA-N 1 1 320.436 3.873 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)C(C)C ZINC000917068754 1038163919 /nfs/dbraw/zinc/16/39/19/1038163919.db2.gz AMCSFVJXXIVCFQ-INIZCTEOSA-N 1 1 314.473 3.639 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1OC)C(C)C ZINC000917069837 1038168144 /nfs/dbraw/zinc/16/81/44/1038168144.db2.gz XJPZZWLXXOBYNU-UHFFFAOYSA-N 1 1 310.825 3.574 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(-c2cccc(F)c2C)o1)[C@@H]1CCCO1 ZINC000775343906 1038255533 /nfs/dbraw/zinc/25/55/33/1038255533.db2.gz ZVFOGXGYBVVXRL-HKUYNNGSSA-N 1 1 313.372 3.665 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1C ZINC000164745598 1038295154 /nfs/dbraw/zinc/29/51/54/1038295154.db2.gz RTLMFQOPCGLJNH-UHFFFAOYSA-N 1 1 321.424 3.717 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001190485515 1038319778 /nfs/dbraw/zinc/31/97/78/1038319778.db2.gz LHQXDMACPODNFC-UKRRQHHQSA-N 1 1 317.326 3.924 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001190485515 1038319790 /nfs/dbraw/zinc/31/97/90/1038319790.db2.gz LHQXDMACPODNFC-UKRRQHHQSA-N 1 1 317.326 3.924 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)nc1 ZINC000572301099 1038355168 /nfs/dbraw/zinc/35/51/68/1038355168.db2.gz XHHNHHCTGQEFHV-AQNXPRMDSA-N 1 1 303.409 3.721 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(-c2ccccn2)nc1)C1CCCCC1 ZINC001190708935 1038367018 /nfs/dbraw/zinc/36/70/18/1038367018.db2.gz ZFKZJYZSOSEPGR-UHFFFAOYSA-N 1 1 305.425 3.912 20 30 DHEDMO CC(C)C[C@@H]1CCCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC001191113155 1038442075 /nfs/dbraw/zinc/44/20/75/1038442075.db2.gz SFDQNFUYRZOUTO-SFHVURJKSA-N 1 1 313.445 3.787 20 30 DHEDMO Cc1ccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C(C)C)cc1C#N ZINC001191304708 1038482680 /nfs/dbraw/zinc/48/26/80/1038482680.db2.gz ADPDEZKSZDMHCR-NRFANRHFSA-N 1 1 322.452 3.886 20 30 DHEDMO CC[C@@H](C)C[N@@H+](CC)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001191374288 1038497396 /nfs/dbraw/zinc/49/73/96/1038497396.db2.gz GJFFYJAICIZNEU-CYBMUJFWSA-N 1 1 321.852 3.908 20 30 DHEDMO CC[C@H](C)C[N@@H+](CC)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001191374351 1038497782 /nfs/dbraw/zinc/49/77/82/1038497782.db2.gz GJFFYJAICIZNEU-ZDUSSCGKSA-N 1 1 321.852 3.908 20 30 DHEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)C12CCC2 ZINC001191551261 1038519279 /nfs/dbraw/zinc/51/92/79/1038519279.db2.gz PSYDTVUKEIKSNG-IRXDYDNUSA-N 1 1 318.848 3.991 20 30 DHEDMO C=CCOc1ccc(CNCC[N@H+]2CCCC[C@@H]2C)cc1Cl ZINC000589640295 1038525451 /nfs/dbraw/zinc/52/54/51/1038525451.db2.gz HVFMLLJEIDYHIL-HNNXBMFYSA-N 1 1 322.880 3.869 20 30 DHEDMO C=CCOc1ccc(CNCC[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC000589640295 1038525454 /nfs/dbraw/zinc/52/54/54/1038525454.db2.gz HVFMLLJEIDYHIL-HNNXBMFYSA-N 1 1 322.880 3.869 20 30 DHEDMO COc1ccc(F)cc1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000589736184 1038538549 /nfs/dbraw/zinc/53/85/49/1038538549.db2.gz UIFIKVLNQLPUMV-UHFFFAOYSA-N 1 1 304.752 3.649 20 30 DHEDMO COc1ccc(F)c(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000590188556 1038600024 /nfs/dbraw/zinc/60/00/24/1038600024.db2.gz YHMMSLODQHBROR-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](CC(C)C)C2)c1C#N ZINC001192200515 1038602035 /nfs/dbraw/zinc/60/20/35/1038602035.db2.gz SMOVNJTYTVZMIR-HNNXBMFYSA-N 1 1 314.429 3.603 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000591045349 1038748405 /nfs/dbraw/zinc/74/84/05/1038748405.db2.gz HGZNJLHTGTYVEB-WOJBJXKFSA-N 1 1 320.436 3.796 20 30 DHEDMO CC[C@H](C)Oc1cc(C[NH2+]CC2(C#N)CCC2)ccc1OC ZINC000591357741 1038838793 /nfs/dbraw/zinc/83/87/93/1038838793.db2.gz NVAWFGNPASYLCD-AWEZNQCLSA-N 1 1 302.418 3.656 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000760884008 1038962323 /nfs/dbraw/zinc/96/23/23/1038962323.db2.gz HLYIHRXWCLGMAR-UFYCRDLUSA-N 1 1 317.473 3.682 20 30 DHEDMO C[N@H+]1CC[C@@H](Nc2cccc(OCCCC#N)c2)CC1(C)C ZINC000599039435 1039013850 /nfs/dbraw/zinc/01/38/50/1039013850.db2.gz ZBZKDNDXUIVJHS-MRXNPFEDSA-N 1 1 301.434 3.654 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000157543555 1039070725 /nfs/dbraw/zinc/07/07/25/1039070725.db2.gz NUBRJDOIKKAZKY-UHFFFAOYSA-N 1 1 319.880 3.788 20 30 DHEDMO C=C(Br)C[N@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC001168414887 1039079753 /nfs/dbraw/zinc/07/97/53/1039079753.db2.gz UXZAPQHIORAQQZ-INIZCTEOSA-N 1 1 323.278 3.804 20 30 DHEDMO C=C(Br)C[N@@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC001168414887 1039079768 /nfs/dbraw/zinc/07/97/68/1039079768.db2.gz UXZAPQHIORAQQZ-INIZCTEOSA-N 1 1 323.278 3.804 20 30 DHEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000603681399 1039104688 /nfs/dbraw/zinc/10/46/88/1039104688.db2.gz DRWFNTXCLWZPHA-UHFFFAOYSA-N 1 1 319.408 3.721 20 30 DHEDMO C[N@H+](Cc1ccncc1C#N)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000592121834 1039122815 /nfs/dbraw/zinc/12/28/15/1039122815.db2.gz IUOKUMAZOOCTND-RTBURBONSA-N 1 1 321.424 3.631 20 30 DHEDMO C[N@@H+](Cc1ccncc1C#N)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000592121834 1039122822 /nfs/dbraw/zinc/12/28/22/1039122822.db2.gz IUOKUMAZOOCTND-RTBURBONSA-N 1 1 321.424 3.631 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000592123666 1039123774 /nfs/dbraw/zinc/12/37/74/1039123774.db2.gz XUTBDLZSLYVXCM-ZCNNSNEGSA-N 1 1 303.409 3.721 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592139435 1039126583 /nfs/dbraw/zinc/12/65/83/1039126583.db2.gz BOOWMIPSRHONGS-IBGZPJMESA-N 1 1 314.473 3.980 20 30 DHEDMO Cc1ccc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1C#N ZINC000599338056 1039133278 /nfs/dbraw/zinc/13/32/78/1039133278.db2.gz AGGSNBOJKCOEJW-OAQYLSRUSA-N 1 1 320.436 3.640 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](O)[C@H]2CCc2ccccc2)cc1 ZINC000592169380 1039163368 /nfs/dbraw/zinc/16/33/68/1039163368.db2.gz ZSFRRUFEIVASIN-NHCUHLMSSA-N 1 1 320.436 3.516 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000603855224 1039188952 /nfs/dbraw/zinc/18/89/52/1039188952.db2.gz HXGVACWSZMSARA-UHFFFAOYSA-N 1 1 310.397 3.975 20 30 DHEDMO COc1ccc(OC2CC[NH+](Cc3ccccc3C#N)CC2)cc1 ZINC000603854639 1039190079 /nfs/dbraw/zinc/19/00/79/1039190079.db2.gz IUSUURVGOLJIHD-UHFFFAOYSA-N 1 1 322.408 3.610 20 30 DHEDMO Cc1ccc(C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C(C)(C)C)cc1 ZINC000599527799 1039197001 /nfs/dbraw/zinc/19/70/01/1039197001.db2.gz VYFIHFJFHJOSFC-KRWDZBQOSA-N 1 1 302.462 3.896 20 30 DHEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000592523083 1039223166 /nfs/dbraw/zinc/22/31/66/1039223166.db2.gz VMNZEOZLZQVICB-LJQANCHMSA-N 1 1 324.449 3.688 20 30 DHEDMO CCCC[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCc2ncsc2C1 ZINC000592530542 1039227360 /nfs/dbraw/zinc/22/73/60/1039227360.db2.gz YRJDRNVQXWAJTL-CYBMUJFWSA-N 1 1 315.442 3.767 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000599629801 1039237225 /nfs/dbraw/zinc/23/72/25/1039237225.db2.gz MSBCXGQOZVXTGN-DLBZAZTESA-N 1 1 318.436 3.694 20 30 DHEDMO COC(=O)[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)[C@H]2CCC[C@@H]21 ZINC000599646232 1039244995 /nfs/dbraw/zinc/24/49/95/1039244995.db2.gz HGIIKHITYPFBIL-ZACQAIPSSA-N 1 1 318.461 3.514 20 30 DHEDMO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1Cc1ccncc1C#N ZINC000599624539 1039248883 /nfs/dbraw/zinc/24/88/83/1039248883.db2.gz YEIDTLOLXJJXRI-GOSISDBHSA-N 1 1 309.388 3.860 20 30 DHEDMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCCC#N ZINC000599653890 1039253696 /nfs/dbraw/zinc/25/36/96/1039253696.db2.gz WSMUSWFDIAUVAZ-OCCSQVGLSA-N 1 1 307.235 3.931 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](Cc1ccccc1OC1CC1)C2 ZINC000599676944 1039253887 /nfs/dbraw/zinc/25/38/87/1039253887.db2.gz CVIXRVGCFKLJSP-UHFFFAOYSA-N 1 1 318.420 3.852 20 30 DHEDMO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCCC#N ZINC000599653889 1039253964 /nfs/dbraw/zinc/25/39/64/1039253964.db2.gz WSMUSWFDIAUVAZ-JSGCOSHPSA-N 1 1 307.235 3.931 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+](CCc1ccc(F)c(F)c1)C2 ZINC000599676460 1039254757 /nfs/dbraw/zinc/25/47/57/1039254757.db2.gz DFSXCQZNVSCHOD-UHFFFAOYSA-N 1 1 312.363 3.632 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](C[C@H]1CCC3(CCCC3)O1)C2 ZINC000599676959 1039255019 /nfs/dbraw/zinc/25/50/19/1039255019.db2.gz CVPAGYGQIVHSLK-GOSISDBHSA-N 1 1 310.441 3.603 20 30 DHEDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677606 1039256014 /nfs/dbraw/zinc/25/60/14/1039256014.db2.gz AJIJTTVPRVCRBP-CQSZACIVSA-N 1 1 321.380 3.780 20 30 DHEDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677606 1039256024 /nfs/dbraw/zinc/25/60/24/1039256024.db2.gz AJIJTTVPRVCRBP-CQSZACIVSA-N 1 1 321.380 3.780 20 30 DHEDMO COc1ccc([C@@H](C)C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599678424 1039266602 /nfs/dbraw/zinc/26/66/02/1039266602.db2.gz QHJZSCDKMYRSKH-INIZCTEOSA-N 1 1 320.436 3.923 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+]([C@H]1CCc3ccc(F)cc31)C2 ZINC000599679487 1039270145 /nfs/dbraw/zinc/27/01/45/1039270145.db2.gz UUDQCDROOPNCPM-FQEVSTJZSA-N 1 1 306.384 3.937 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC23CCCC3)c(Br)c1 ZINC000593038930 1039367826 /nfs/dbraw/zinc/36/78/26/1039367826.db2.gz NNJGJMUIDBKTQF-UHFFFAOYSA-N 1 1 305.219 3.839 20 30 DHEDMO N#Cc1csc(C[NH+]2CCC3(CCc4ccccc4C3)CC2)n1 ZINC000593037204 1039368426 /nfs/dbraw/zinc/36/84/26/1039368426.db2.gz OXULNJFVIRLTIA-UHFFFAOYSA-N 1 1 323.465 3.786 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)c(F)c1 ZINC000593054182 1039376857 /nfs/dbraw/zinc/37/68/57/1039376857.db2.gz HBZZAWLEPZLSGA-UHFFFAOYSA-N 1 1 316.273 3.564 20 30 DHEDMO N#CCSCCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000593083532 1039431310 /nfs/dbraw/zinc/43/13/10/1039431310.db2.gz OHHMGCPXBSAHAM-MRXNPFEDSA-N 1 1 306.450 3.870 20 30 DHEDMO CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000593094279 1039436431 /nfs/dbraw/zinc/43/64/31/1039436431.db2.gz XRYMUEPACLORSE-OAHLLOKOSA-N 1 1 308.466 3.903 20 30 DHEDMO COc1ccc(Cl)c2c1CCC[C@@H]2[N@@H+](C)CCOCCC#N ZINC000593104873 1039438982 /nfs/dbraw/zinc/43/89/82/1039438982.db2.gz KTSOZUWNBZFUQH-HNNXBMFYSA-N 1 1 322.836 3.588 20 30 DHEDMO C[C@H]([NH2+][C@H](CCO)c1ccccc1F)c1ccc(C#N)c(F)c1 ZINC000592404530 1039448735 /nfs/dbraw/zinc/44/87/35/1039448735.db2.gz ZIRMEFHPTHMRET-KPZWWZAWSA-N 1 1 316.351 3.611 20 30 DHEDMO C[C@H](c1c(F)cccc1F)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000604435398 1039474146 /nfs/dbraw/zinc/47/41/46/1039474146.db2.gz MDBSXHQYVIBIAI-CYBMUJFWSA-N 1 1 316.351 3.908 20 30 DHEDMO C[C@H](c1c(F)cccc1F)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000604435398 1039474158 /nfs/dbraw/zinc/47/41/58/1039474158.db2.gz MDBSXHQYVIBIAI-CYBMUJFWSA-N 1 1 316.351 3.908 20 30 DHEDMO C[C@@H](c1c(F)cccc1F)[N@H+](C)CCOc1cccc(C#N)c1 ZINC000604435401 1039475111 /nfs/dbraw/zinc/47/51/11/1039475111.db2.gz MDBSXHQYVIBIAI-ZDUSSCGKSA-N 1 1 316.351 3.908 20 30 DHEDMO C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000604435401 1039475119 /nfs/dbraw/zinc/47/51/19/1039475119.db2.gz MDBSXHQYVIBIAI-ZDUSSCGKSA-N 1 1 316.351 3.908 20 30 DHEDMO CCOc1ccc(C[NH2+]CC2(C#N)CCCC2)cc1OCC ZINC000593650383 1039576263 /nfs/dbraw/zinc/57/62/63/1039576263.db2.gz ROAYAHJPGYNHDV-UHFFFAOYSA-N 1 1 302.418 3.658 20 30 DHEDMO COc1ccc(C[N@H+]2CCC23CCCC3)cc1OCCCC#N ZINC000593645240 1039577587 /nfs/dbraw/zinc/57/75/87/1039577587.db2.gz JTJQGTGKEHMQRB-UHFFFAOYSA-N 1 1 314.429 3.896 20 30 DHEDMO CCCOc1ccc(C[NH2+]CC2(C#N)CCCC2)cc1OC ZINC000593649810 1039577636 /nfs/dbraw/zinc/57/76/36/1039577636.db2.gz KGOHTJMSQDDION-UHFFFAOYSA-N 1 1 302.418 3.658 20 30 DHEDMO N#CCCCOc1cccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000593695990 1039587798 /nfs/dbraw/zinc/58/77/98/1039587798.db2.gz XUSBEVYVQJNXAN-INIZCTEOSA-N 1 1 306.356 3.600 20 30 DHEDMO COc1ccc([C@@H]([NH2+]CC(C)(C)CC#N)c2ccccn2)cc1 ZINC000593712175 1039590703 /nfs/dbraw/zinc/59/07/03/1039590703.db2.gz KSZYPHBOESTHOR-GOSISDBHSA-N 1 1 309.413 3.709 20 30 DHEDMO N#CCCCCC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000594251462 1039721455 /nfs/dbraw/zinc/72/14/55/1039721455.db2.gz HNSSGZHHBDBVRN-UHFFFAOYSA-N 1 1 320.462 3.542 20 30 DHEDMO C=CCCC[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000605740685 1039746564 /nfs/dbraw/zinc/74/65/64/1039746564.db2.gz MIOQRDLKZVMHGC-ZDUSSCGKSA-N 1 1 318.244 3.631 20 30 DHEDMO N#Cc1ccc(C[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000062426552 1039773263 /nfs/dbraw/zinc/77/32/63/1039773263.db2.gz RUKJDEZYYRRPDF-OAQYLSRUSA-N 1 1 319.452 3.560 20 30 DHEDMO N#Cc1ccc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000062426552 1039773282 /nfs/dbraw/zinc/77/32/82/1039773282.db2.gz RUKJDEZYYRRPDF-OAQYLSRUSA-N 1 1 319.452 3.560 20 30 DHEDMO N#Cc1ccc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000062426552 1039773295 /nfs/dbraw/zinc/77/32/95/1039773295.db2.gz RUKJDEZYYRRPDF-OAQYLSRUSA-N 1 1 319.452 3.560 20 30 DHEDMO CCCC[NH+]1CCC(NCc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594496336 1039799817 /nfs/dbraw/zinc/79/98/17/1039799817.db2.gz KFFSODGIDNRWMF-UHFFFAOYSA-N 1 1 313.489 3.842 20 30 DHEDMO CCCC[N@H+](C)C[C@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594521464 1039827284 /nfs/dbraw/zinc/82/72/84/1039827284.db2.gz RMPUJMZRAGSPAU-INIZCTEOSA-N 1 1 301.478 3.698 20 30 DHEDMO CCCC[N@@H+](C)C[C@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594521464 1039827311 /nfs/dbraw/zinc/82/73/11/1039827311.db2.gz RMPUJMZRAGSPAU-INIZCTEOSA-N 1 1 301.478 3.698 20 30 DHEDMO N#Cc1ccc(C2([NH2+]Cc3cn4cccc(F)c4n3)CCC2)cc1 ZINC000594521363 1039829726 /nfs/dbraw/zinc/82/97/26/1039829726.db2.gz UQBVCJQWQPBAQH-UHFFFAOYSA-N 1 1 320.371 3.514 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000594610845 1039873783 /nfs/dbraw/zinc/87/37/83/1039873783.db2.gz VLJFVOLTWGCKMK-ICSRJNTNSA-N 1 1 310.441 3.631 20 30 DHEDMO C[C@@H]1CCC[C@@H](C)[NH+]1CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594922477 1039925463 /nfs/dbraw/zinc/92/54/63/1039925463.db2.gz GDMTUAHHLFRGQP-IAGOWNOFSA-N 1 1 311.473 3.594 20 30 DHEDMO Cc1cccc2nc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)[nH]c21 ZINC000594935675 1039955152 /nfs/dbraw/zinc/95/51/52/1039955152.db2.gz JNLBPXHLMWUUQD-UHFFFAOYSA-N 1 1 316.408 3.716 20 30 DHEDMO COc1cccc([C@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)c1 ZINC000059372123 1039957441 /nfs/dbraw/zinc/95/74/41/1039957441.db2.gz JRTHYDWSMAUTBD-HXUWFJFHSA-N 1 1 322.408 3.783 20 30 DHEDMO CCOc1cc(C[NH2+]CC2(C#N)CCCCC2)ccc1OC ZINC000594996239 1040011898 /nfs/dbraw/zinc/01/18/98/1040011898.db2.gz XMJXASWUXJRASO-UHFFFAOYSA-N 1 1 302.418 3.658 20 30 DHEDMO C=CCCCCCN(C)C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000606881417 1040024438 /nfs/dbraw/zinc/02/44/38/1040024438.db2.gz LPXFPTZNLKRJFF-QGZVFWFLSA-N 1 1 314.473 3.638 20 30 DHEDMO C=CCCCCCN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000606881520 1040024759 /nfs/dbraw/zinc/02/47/59/1040024759.db2.gz QMWGHDFYFBZUHX-GOSISDBHSA-N 1 1 302.462 3.884 20 30 DHEDMO COc1cccc(OC)c1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000595074701 1040031454 /nfs/dbraw/zinc/03/14/54/1040031454.db2.gz UFIAJUXVDGQTLN-GFCCVEGCSA-N 1 1 314.360 3.565 20 30 DHEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](C#N)c1ccccc1 ZINC000595334026 1040102727 /nfs/dbraw/zinc/10/27/27/1040102727.db2.gz LMRRTYVOPSWOPT-TZIWHRDSSA-N 1 1 319.452 3.705 20 30 DHEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595305719 1040105976 /nfs/dbraw/zinc/10/59/76/1040105976.db2.gz JJGGJHCUOBUPEP-OXQOHEQNSA-N 1 1 306.409 3.563 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000595366566 1040127251 /nfs/dbraw/zinc/12/72/51/1040127251.db2.gz BRQVYEKBQCWTDE-UHFFFAOYSA-N 1 1 301.393 3.640 20 30 DHEDMO CC(C)C[N@H+](Cc1cc2n(n1)CCCC2)Cc1ccc(C#N)cc1 ZINC000593001763 1040133599 /nfs/dbraw/zinc/13/35/99/1040133599.db2.gz IOXJVQVCPBJWMH-UHFFFAOYSA-N 1 1 322.456 3.749 20 30 DHEDMO CC(C)C[N@@H+](Cc1cc2n(n1)CCCC2)Cc1ccc(C#N)cc1 ZINC000593001763 1040133601 /nfs/dbraw/zinc/13/36/01/1040133601.db2.gz IOXJVQVCPBJWMH-UHFFFAOYSA-N 1 1 322.456 3.749 20 30 DHEDMO C=CC[N@@H+](Cc1nc(CC(F)(F)F)no1)CC1CCCCC1 ZINC000075739385 1040146008 /nfs/dbraw/zinc/14/60/08/1040146008.db2.gz GZLVVQKPCLJOFO-UHFFFAOYSA-N 1 1 317.355 3.743 20 30 DHEDMO C=CC[N@H+](Cc1nc(CC(F)(F)F)no1)CC1CCCCC1 ZINC000075739385 1040146010 /nfs/dbraw/zinc/14/60/10/1040146010.db2.gz GZLVVQKPCLJOFO-UHFFFAOYSA-N 1 1 317.355 3.743 20 30 DHEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2cc(C#N)ccn2)c1 ZINC001168423208 1040192496 /nfs/dbraw/zinc/19/24/96/1040192496.db2.gz DYHPDPFBCVWHHW-IFXJQAMLSA-N 1 1 307.397 3.545 20 30 DHEDMO C[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631623 1040199648 /nfs/dbraw/zinc/19/96/48/1040199648.db2.gz GAKQJFCZIYLJSO-ZDUSSCGKSA-N 1 1 315.417 3.642 20 30 DHEDMO Cc1c2cccc(C)c2oc1C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000593087287 1040203893 /nfs/dbraw/zinc/20/38/93/1040203893.db2.gz INUYDWGFUAALSP-UHFFFAOYSA-N 1 1 305.381 3.948 20 30 DHEDMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000595609026 1040205003 /nfs/dbraw/zinc/20/50/03/1040205003.db2.gz FGOQCKNNGSYVEK-QGZVFWFLSA-N 1 1 313.445 3.648 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3nc(-c4ccccc4)sc3C2)C1 ZINC000595713138 1040226259 /nfs/dbraw/zinc/22/62/59/1040226259.db2.gz PKUZOBIUQHXFPM-UKRRQHHQSA-N 1 1 309.438 3.860 20 30 DHEDMO CC1(C)C[C@]1([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000595911552 1040274544 /nfs/dbraw/zinc/27/45/44/1040274544.db2.gz YLGAXHRAGFXIIM-IBGZPJMESA-N 1 1 321.380 3.881 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094810 1040305980 /nfs/dbraw/zinc/30/59/80/1040305980.db2.gz MKTGHHSEIMJKLS-NQIIRXRSSA-N 1 1 323.484 3.647 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094810 1040305989 /nfs/dbraw/zinc/30/59/89/1040305989.db2.gz MKTGHHSEIMJKLS-NQIIRXRSSA-N 1 1 323.484 3.647 20 30 DHEDMO CC[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596094357 1040306546 /nfs/dbraw/zinc/30/65/46/1040306546.db2.gz LCNBEHRMFCGDPZ-ICSRJNTNSA-N 1 1 311.473 3.721 20 30 DHEDMO CC[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596094357 1040306557 /nfs/dbraw/zinc/30/65/57/1040306557.db2.gz LCNBEHRMFCGDPZ-ICSRJNTNSA-N 1 1 311.473 3.721 20 30 DHEDMO C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccc(C#N)cc1F ZINC000596117469 1040306913 /nfs/dbraw/zinc/30/69/13/1040306913.db2.gz HDOLPCSBEXDQOL-SNVBAGLBSA-N 1 1 323.293 3.962 20 30 DHEDMO Cc1cc(N2CC[C@](C)(C#N)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000596530879 1040478060 /nfs/dbraw/zinc/47/80/60/1040478060.db2.gz QKUJXTZHGRGJQI-QGZVFWFLSA-N 1 1 317.339 3.885 20 30 DHEDMO C=CC[N@H+](Cc1cc(COC)cs1)Cc1cccc(C#N)c1 ZINC000597001303 1040622118 /nfs/dbraw/zinc/62/21/18/1040622118.db2.gz RVRSZXWAZLDZTR-UHFFFAOYSA-N 1 1 312.438 3.954 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CC=C(C(F)(F)F)CC3)cc2)CC1 ZINC000597011825 1040624403 /nfs/dbraw/zinc/62/44/03/1040624403.db2.gz FGDRIQAYCNOUMF-UHFFFAOYSA-N 1 1 306.331 3.936 20 30 DHEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000596997063 1040627140 /nfs/dbraw/zinc/62/71/40/1040627140.db2.gz XCOAYQNJNPCEPP-SFHVURJKSA-N 1 1 316.445 3.616 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000596997063 1040627145 /nfs/dbraw/zinc/62/71/45/1040627145.db2.gz XCOAYQNJNPCEPP-SFHVURJKSA-N 1 1 316.445 3.616 20 30 DHEDMO CCC[NH+]1CCC(N(C)Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596992296 1040628274 /nfs/dbraw/zinc/62/82/74/1040628274.db2.gz VWRLLJBVUICQCR-UHFFFAOYSA-N 1 1 311.473 3.548 20 30 DHEDMO CCCN1CCC([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596992296 1040628279 /nfs/dbraw/zinc/62/82/79/1040628279.db2.gz VWRLLJBVUICQCR-UHFFFAOYSA-N 1 1 311.473 3.548 20 30 DHEDMO CCCN1CCC([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596992296 1040628282 /nfs/dbraw/zinc/62/82/82/1040628282.db2.gz VWRLLJBVUICQCR-UHFFFAOYSA-N 1 1 311.473 3.548 20 30 DHEDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(C3(C#N)CC3)cc1)CC2 ZINC000597000622 1040628709 /nfs/dbraw/zinc/62/87/09/1040628709.db2.gz OOKNDOPJJLETHU-UHFFFAOYSA-N 1 1 318.420 3.809 20 30 DHEDMO C[N@@H+](CCOCc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597028430 1040629607 /nfs/dbraw/zinc/62/96/07/1040629607.db2.gz YPLIESJHADOCEL-UHFFFAOYSA-N 1 1 320.436 3.890 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H]1[C@H]1CCCO1 ZINC000597132877 1040659852 /nfs/dbraw/zinc/65/98/52/1040659852.db2.gz MSROCIVYBWUZLL-QZTJIDSGSA-N 1 1 310.441 3.631 20 30 DHEDMO CC[C@@H](C)Oc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1OC ZINC000597172491 1040667636 /nfs/dbraw/zinc/66/76/36/1040667636.db2.gz AXWYUWWYIFFWAG-HZPDHXFCSA-N 1 1 316.445 3.998 20 30 DHEDMO CCCOc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1OC ZINC000597172759 1040667890 /nfs/dbraw/zinc/66/78/90/1040667890.db2.gz FCHKMQWWTWNQIW-HNNXBMFYSA-N 1 1 302.418 3.610 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCOC(C4CC4)(C4CC4)C3)cc2)CC1 ZINC000597226521 1040704329 /nfs/dbraw/zinc/70/43/29/1040704329.db2.gz LTTGDGYFFFXTGH-UHFFFAOYSA-N 1 1 322.452 3.633 20 30 DHEDMO COCCCCc1ccc[nH+]c1NCc1cccc(F)c1C#N ZINC000602024394 1040858387 /nfs/dbraw/zinc/85/83/87/1040858387.db2.gz LSGABXRKJQLAMA-UHFFFAOYSA-N 1 1 313.376 3.674 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnn(C)c1C(F)(F)F ZINC000442673776 1041005294 /nfs/dbraw/zinc/00/52/94/1041005294.db2.gz ALJNNNUVYGVZFI-NSHDSACASA-N 1 1 322.334 3.504 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn(C)c1C(F)(F)F ZINC000442673776 1041005304 /nfs/dbraw/zinc/00/53/04/1041005304.db2.gz ALJNNNUVYGVZFI-NSHDSACASA-N 1 1 322.334 3.504 20 30 DHEDMO CCC[N@@H+](C[C@H](C)CCC#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000602454424 1041028248 /nfs/dbraw/zinc/02/82/48/1041028248.db2.gz SRKOMLWSFBAWOY-CVEARBPZSA-N 1 1 301.434 3.665 20 30 DHEDMO C[C@H](CCC#N)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000602451814 1041028284 /nfs/dbraw/zinc/02/82/84/1041028284.db2.gz AGNGCERPXYMLSE-CRAIPNDOSA-N 1 1 304.409 3.747 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC000442681232 1041033275 /nfs/dbraw/zinc/03/32/75/1041033275.db2.gz OWXLIOSWROPAIY-AWEZNQCLSA-N 1 1 302.418 3.673 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2C[C@H](C)CCC#N)c(OC)c1 ZINC000602437374 1041034286 /nfs/dbraw/zinc/03/42/86/1041034286.db2.gz VTDXGKLDNVOHLE-RHSMWYFYSA-N 1 1 302.418 3.781 20 30 DHEDMO CC[N@H+](Cc1cnc(OC)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000602444844 1041036877 /nfs/dbraw/zinc/03/68/77/1041036877.db2.gz QXCOZLFUYYFJDM-GFCCVEGCSA-N 1 1 301.415 3.606 20 30 DHEDMO CC[N@@H+](Cc1cnc(OC)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000602444844 1041036888 /nfs/dbraw/zinc/03/68/88/1041036888.db2.gz QXCOZLFUYYFJDM-GFCCVEGCSA-N 1 1 301.415 3.606 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000602467456 1041046185 /nfs/dbraw/zinc/04/61/85/1041046185.db2.gz XMUQGKVXBAFPBI-KBXCAEBGSA-N 1 1 314.408 3.520 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000602483011 1041052362 /nfs/dbraw/zinc/05/23/62/1041052362.db2.gz IHHNVEUXLAFMOA-BBRMVZONSA-N 1 1 324.371 3.601 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000602483011 1041052373 /nfs/dbraw/zinc/05/23/73/1041052373.db2.gz IHHNVEUXLAFMOA-BBRMVZONSA-N 1 1 324.371 3.601 20 30 DHEDMO CC[N@H+](C[C@H](C)CCC#N)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000602479958 1041053847 /nfs/dbraw/zinc/05/38/47/1041053847.db2.gz CNWUGSXJWYOAQT-UYAOXDASSA-N 1 1 313.489 3.770 20 30 DHEDMO CC[N@@H+](C[C@H](C)CCC#N)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000602479958 1041053852 /nfs/dbraw/zinc/05/38/52/1041053852.db2.gz CNWUGSXJWYOAQT-UYAOXDASSA-N 1 1 313.489 3.770 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000602611525 1041124950 /nfs/dbraw/zinc/12/49/50/1041124950.db2.gz FDRSMESYKALWDB-JLSDUUJJSA-N 1 1 304.409 3.917 20 30 DHEDMO Cc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c(F)c1 ZINC000602655103 1041145389 /nfs/dbraw/zinc/14/53/89/1041145389.db2.gz YJGKYFTVXWXKCP-UHFFFAOYSA-N 1 1 309.388 3.587 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000602690343 1041152208 /nfs/dbraw/zinc/15/22/08/1041152208.db2.gz JMFWKSIAPNPLJJ-UONOGXRCSA-N 1 1 318.383 3.607 20 30 DHEDMO N#CC1(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000602700435 1041164064 /nfs/dbraw/zinc/16/40/64/1041164064.db2.gz WFUMPDJBJVCEJD-MJGOQNOKSA-N 1 1 309.457 3.638 20 30 DHEDMO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)c1C ZINC000602728371 1041183060 /nfs/dbraw/zinc/18/30/60/1041183060.db2.gz KRMYMFNKBFXSQL-UHFFFAOYSA-N 1 1 322.456 3.707 20 30 DHEDMO C=C(C)C[C@H]([NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1)C(=O)OC ZINC000602735431 1041187882 /nfs/dbraw/zinc/18/78/82/1041187882.db2.gz XAYHIPLMNLVBBL-IKGGRYGDSA-N 1 1 316.445 3.514 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2CC2(CC#N)CC2)c(OC)c1 ZINC000602757158 1041204851 /nfs/dbraw/zinc/20/48/51/1041204851.db2.gz RINIAZMGUCOGCT-INIZCTEOSA-N 1 1 300.402 3.535 20 30 DHEDMO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000602793691 1041217027 /nfs/dbraw/zinc/21/70/27/1041217027.db2.gz ZMWMAUYKYQEJEF-QGZVFWFLSA-N 1 1 308.429 3.794 20 30 DHEDMO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1CC1(CC#N)CC1 ZINC000602793691 1041217044 /nfs/dbraw/zinc/21/70/44/1041217044.db2.gz ZMWMAUYKYQEJEF-QGZVFWFLSA-N 1 1 308.429 3.794 20 30 DHEDMO CC[C@H]([NH2+]CC1(CC#N)CC1)c1nc(C(F)(F)F)cs1 ZINC000602812029 1041239226 /nfs/dbraw/zinc/23/92/26/1041239226.db2.gz SBDVHLYWHXUWJE-VIFPVBQESA-N 1 1 303.353 3.896 20 30 DHEDMO C[C@@H](CC#N)[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000602870624 1041274472 /nfs/dbraw/zinc/27/44/72/1041274472.db2.gz NZJHAAREPPBDMH-KRWDZBQOSA-N 1 1 303.409 3.778 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000602900364 1041302245 /nfs/dbraw/zinc/30/22/45/1041302245.db2.gz SVBPLSUKTHJJQP-QGZVFWFLSA-N 1 1 306.413 3.615 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000602900364 1041302250 /nfs/dbraw/zinc/30/22/50/1041302250.db2.gz SVBPLSUKTHJJQP-QGZVFWFLSA-N 1 1 306.413 3.615 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[N@@H+](C)[C@@H]3CCC[C@H]3C#N)cc2)n1 ZINC000602979864 1041328950 /nfs/dbraw/zinc/32/89/50/1041328950.db2.gz IRFFUHRXZJXHMS-PKOBYXMFSA-N 1 1 308.429 3.613 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[N@H+](C)[C@@H]3CCC[C@H]3C#N)cc2)n1 ZINC000602979864 1041328959 /nfs/dbraw/zinc/32/89/59/1041328959.db2.gz IRFFUHRXZJXHMS-PKOBYXMFSA-N 1 1 308.429 3.613 20 30 DHEDMO C[N@H+](Cc1ccc(OCc2cccnc2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602977715 1041330719 /nfs/dbraw/zinc/33/07/19/1041330719.db2.gz GFCRSMQFINIXLK-QUCCMNQESA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602977715 1041330728 /nfs/dbraw/zinc/33/07/28/1041330728.db2.gz GFCRSMQFINIXLK-QUCCMNQESA-N 1 1 321.424 3.785 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[N@@H+](C)[C@H]3CCC[C@H]3C#N)cc2)n1 ZINC000602979861 1041330864 /nfs/dbraw/zinc/33/08/64/1041330864.db2.gz IRFFUHRXZJXHMS-HKUYNNGSSA-N 1 1 308.429 3.613 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[N@H+](C)[C@H]3CCC[C@H]3C#N)cc2)n1 ZINC000602979861 1041330878 /nfs/dbraw/zinc/33/08/78/1041330878.db2.gz IRFFUHRXZJXHMS-HKUYNNGSSA-N 1 1 308.429 3.613 20 30 DHEDMO Cc1cccc(C)c1NC(=O)CCC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602975501 1041334887 /nfs/dbraw/zinc/33/48/87/1041334887.db2.gz BYHKWSPRVKIWKS-IRXDYDNUSA-N 1 1 313.445 3.646 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000598584688 1041347098 /nfs/dbraw/zinc/34/70/98/1041347098.db2.gz RYKJOIGXKKJEJX-AWEZNQCLSA-N 1 1 318.442 3.644 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000598586207 1041347281 /nfs/dbraw/zinc/34/72/81/1041347281.db2.gz QGABJMOVEINLAD-XJKSGUPXSA-N 1 1 306.837 3.778 20 30 DHEDMO CCOc1ccc(C[N@@H+](C[C@H](O)CC(C)(C)C#N)C(C)C)cc1 ZINC000598585899 1041347391 /nfs/dbraw/zinc/34/73/91/1041347391.db2.gz BDPVXXJHDKRWBG-QGZVFWFLSA-N 1 1 318.461 3.596 20 30 DHEDMO CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H]1CCc2ccccc21 ZINC000598587603 1041348731 /nfs/dbraw/zinc/34/87/31/1041348731.db2.gz SMEPAAULICNXNH-AEFFLSMTSA-N 1 1 300.446 3.687 20 30 DHEDMO CCc1ccc(C[N@@H+](C[C@H](O)CC(C)(C)C#N)C2CC2)cc1 ZINC000598588332 1041350654 /nfs/dbraw/zinc/35/06/54/1041350654.db2.gz IXTYHTDLLOSHQS-GOSISDBHSA-N 1 1 300.446 3.514 20 30 DHEDMO CCc1ccc([C@@H]2CCCC[N@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598593001 1041351126 /nfs/dbraw/zinc/35/11/26/1041351126.db2.gz POFYNLMOXHXBBT-ZBFHGGJFSA-N 1 1 304.434 3.670 20 30 DHEDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)c1C ZINC000598592840 1041351193 /nfs/dbraw/zinc/35/11/93/1041351193.db2.gz NSLZKNYXFOCLNU-SJLPKXTDSA-N 1 1 300.446 3.741 20 30 DHEDMO CC(C)C[N@@H+](CCc1ccc(F)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598589258 1041351510 /nfs/dbraw/zinc/35/15/10/1041351510.db2.gz GAGUQXNWHWXAAF-GOSISDBHSA-N 1 1 320.452 3.627 20 30 DHEDMO CCc1ccc([C@@H]2CCCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598593000 1041352534 /nfs/dbraw/zinc/35/25/34/1041352534.db2.gz POFYNLMOXHXBBT-HOCLYGCPSA-N 1 1 304.434 3.670 20 30 DHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598595541 1041354743 /nfs/dbraw/zinc/35/47/43/1041354743.db2.gz PAOQRGVRRFJSRT-ROUUACIJSA-N 1 1 302.462 3.549 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000598621041 1041361136 /nfs/dbraw/zinc/36/11/36/1041361136.db2.gz QZRZPCCJMNIGRT-MSOLQXFVSA-N 1 1 312.457 3.904 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000285892329 335027713 /nfs/dbraw/zinc/02/77/13/335027713.db2.gz JZZOHYRUHXAZEQ-BHIFYINESA-N 1 1 317.432 3.543 20 30 DHEDMO C=CCC[C@H](NCC1([NH+]2CCCC2)CCOCC1)c1ccco1 ZINC000286204916 335030615 /nfs/dbraw/zinc/03/06/15/335030615.db2.gz RUVHSTREKGWICE-KRWDZBQOSA-N 1 1 318.461 3.522 20 30 DHEDMO C=C(C)CN1CCC([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000286321348 335033063 /nfs/dbraw/zinc/03/30/63/335033063.db2.gz XOVZZRPXWLLEGP-SFHVURJKSA-N 1 1 316.493 3.661 20 30 DHEDMO C[N@@H+](Cc1ccc(Br)cc1)Cc1cccc(C#N)c1 ZINC000042267238 183248398 /nfs/dbraw/zinc/24/83/98/183248398.db2.gz DSAPZVKCNRQFOX-UHFFFAOYSA-N 1 1 315.214 3.953 20 30 DHEDMO C=CCCC[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000286733025 335039281 /nfs/dbraw/zinc/03/92/81/335039281.db2.gz BSHZAVAKDJAORH-LLVKDONJSA-N 1 1 303.328 3.668 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000274632341 130250884 /nfs/dbraw/zinc/25/08/84/130250884.db2.gz RSSKNVGUTCECFN-SECBINFHSA-N 1 1 311.332 3.884 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1nc(C(F)(F)F)cs1 ZINC000274632342 130250913 /nfs/dbraw/zinc/25/09/13/130250913.db2.gz RSSKNVGUTCECFN-VIFPVBQESA-N 1 1 311.332 3.884 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000274760904 130259324 /nfs/dbraw/zinc/25/93/24/130259324.db2.gz DRGWUGLQTYVYFI-UHFFFAOYSA-N 1 1 304.821 3.604 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000274760904 130259326 /nfs/dbraw/zinc/25/93/26/130259326.db2.gz DRGWUGLQTYVYFI-UHFFFAOYSA-N 1 1 304.821 3.604 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285379918 131162453 /nfs/dbraw/zinc/16/24/53/131162453.db2.gz ROTHINXDZUEEOZ-CQSZACIVSA-N 1 1 309.369 3.702 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1nc(Cl)c(C#N)s1 ZINC000286488263 131238423 /nfs/dbraw/zinc/23/84/23/131238423.db2.gz VBBTZINGBJMSKX-LLVKDONJSA-N 1 1 312.870 3.735 20 30 DHEDMO C=CCC[C@@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)c1ccccc1 ZINC000291433174 335082289 /nfs/dbraw/zinc/08/22/89/335082289.db2.gz ZXQHDYSRUABZEC-PKOBYXMFSA-N 1 1 323.440 3.578 20 30 DHEDMO C=C(Cl)C[NH+]1CCC([C@H](O)c2ccc(OCC)cc2)CC1 ZINC000291747651 335083572 /nfs/dbraw/zinc/08/35/72/335083572.db2.gz KJMAOQJZSGKARU-QGZVFWFLSA-N 1 1 309.837 3.583 20 30 DHEDMO C[C@H]1C[C@H](CCNc2ccc(C#N)cn2)C[N@H+]1Cc1ccccc1 ZINC000532797302 435193775 /nfs/dbraw/zinc/19/37/75/435193775.db2.gz KENDNSABDGOGAX-WMZOPIPTSA-N 1 1 320.440 3.666 20 30 DHEDMO Cn1c2ccccc2[nH+]c1NCc1ccc(C2(C#N)CC2)cc1 ZINC000601935327 435331964 /nfs/dbraw/zinc/33/19/64/435331964.db2.gz SKFFYDKFLNNMOJ-UHFFFAOYSA-N 1 1 302.381 3.741 20 30 DHEDMO Cc1nc(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000487746219 435629958 /nfs/dbraw/zinc/62/99/58/435629958.db2.gz CQJGNGXPKUCKIT-LJQANCHMSA-N 1 1 320.440 3.584 20 30 DHEDMO N#CCCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000088604603 332054991 /nfs/dbraw/zinc/05/49/91/332054991.db2.gz IJPUHHRKQDPBGK-MRXNPFEDSA-N 1 1 300.427 3.587 20 30 DHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1cc(C#N)cs1 ZINC000159398527 332088002 /nfs/dbraw/zinc/08/80/02/332088002.db2.gz BNRVPHGUVBEMDK-UHFFFAOYSA-N 1 1 313.470 3.620 20 30 DHEDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000091859383 332113454 /nfs/dbraw/zinc/11/34/54/332113454.db2.gz WCJMBWFBPHCXCO-JKSUJKDBSA-N 1 1 308.429 3.694 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2ccc(C(C)C)cc2)C1=O ZINC000410333819 332113490 /nfs/dbraw/zinc/11/34/90/332113490.db2.gz RLIBPVHBIPKCME-CRAIPNDOSA-N 1 1 300.446 3.590 20 30 DHEDMO C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1ccc(C#N)o1 ZINC000092167744 332121003 /nfs/dbraw/zinc/12/10/03/332121003.db2.gz URUKZDNPRPEJCS-UHFFFAOYSA-N 1 1 304.777 3.706 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2c2cccc(C)c2C)C1=O ZINC000410387396 332122673 /nfs/dbraw/zinc/12/26/73/332122673.db2.gz NGCFEQCCDJZDNG-RBUKOAKNSA-N 1 1 312.457 3.617 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000410390792 332123141 /nfs/dbraw/zinc/12/31/41/332123141.db2.gz RRWZXPZOVNLSOD-CPUCHLNUSA-N 1 1 320.864 3.551 20 30 DHEDMO C=CC[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1cccc(C#N)c1 ZINC000092504468 332131404 /nfs/dbraw/zinc/13/14/04/332131404.db2.gz SXOMRCWKSBPZQA-UHFFFAOYSA-N 1 1 308.429 3.767 20 30 DHEDMO C=CC[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1cccc(C#N)c1 ZINC000092504468 332131405 /nfs/dbraw/zinc/13/14/05/332131405.db2.gz SXOMRCWKSBPZQA-UHFFFAOYSA-N 1 1 308.429 3.767 20 30 DHEDMO COc1ccc(C[N@H+]2CCC(C)(C)C2)cc1OCCCC#N ZINC000093339936 332137696 /nfs/dbraw/zinc/13/76/96/332137696.db2.gz OYGVBADWVJFPMN-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000428240553 332156429 /nfs/dbraw/zinc/15/64/29/332156429.db2.gz SLIMDQNOFKQEOO-KRWDZBQOSA-N 1 1 324.399 3.736 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000428240553 332156430 /nfs/dbraw/zinc/15/64/30/332156430.db2.gz SLIMDQNOFKQEOO-KRWDZBQOSA-N 1 1 324.399 3.736 20 30 DHEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000448015839 332159072 /nfs/dbraw/zinc/15/90/72/332159072.db2.gz RPDVHAFBSTUXCI-LRDDRELGSA-N 1 1 317.433 3.607 20 30 DHEDMO C[N@H+](CC#Cc1ccc(Cl)cc1)CCCC(=O)OC(C)(C)C ZINC000427004927 332164570 /nfs/dbraw/zinc/16/45/70/332164570.db2.gz MORMRUORARQRLI-UHFFFAOYSA-N 1 1 321.848 3.745 20 30 DHEDMO C[C@@H]1SCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1C ZINC000427021074 332165802 /nfs/dbraw/zinc/16/58/02/332165802.db2.gz IFBLHVAHNWYUIB-STQMWFEESA-N 1 1 313.388 3.883 20 30 DHEDMO CC1(C)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]2CCC[C@@H]21 ZINC000559427739 332257939 /nfs/dbraw/zinc/25/79/39/332257939.db2.gz VSEBLBDJSSZGIB-JKSUJKDBSA-N 1 1 322.412 3.619 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292908154 335097926 /nfs/dbraw/zinc/09/79/26/335097926.db2.gz VLDZYWGNKSTGNW-SJLPKXTDSA-N 1 1 314.473 3.758 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)NC1CCCC1)c1ccc(F)c(F)c1 ZINC000187756345 332271475 /nfs/dbraw/zinc/27/14/75/332271475.db2.gz UFPMJYZEVQJHDB-SJCJKPOMSA-N 1 1 322.399 3.619 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C(C)C ZINC000108362419 332271653 /nfs/dbraw/zinc/27/16/53/332271653.db2.gz PUPTYVAAIXUASV-AWEZNQCLSA-N 1 1 319.474 3.750 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)CCC(=O)Nc1ccccc1Cl ZINC000109813892 332284221 /nfs/dbraw/zinc/28/42/21/332284221.db2.gz ZHPJFDIBZIAJQT-UHFFFAOYSA-N 1 1 321.852 3.930 20 30 DHEDMO N#Cc1ccc(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)c(F)c1 ZINC000559993010 332300219 /nfs/dbraw/zinc/30/02/19/332300219.db2.gz NRTWRPXLQCVNLL-UHFFFAOYSA-N 1 1 316.326 3.650 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](c4ccccc4)C3)n2c1 ZINC000560542461 332355700 /nfs/dbraw/zinc/35/57/00/332355700.db2.gz SQZCNHGLCSLPIU-GOSISDBHSA-N 1 1 316.408 3.586 20 30 DHEDMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000120139597 332383508 /nfs/dbraw/zinc/38/35/08/332383508.db2.gz FQYLWDZWOACRTQ-LBPRGKRZSA-N 1 1 314.360 3.565 20 30 DHEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000248376282 332584650 /nfs/dbraw/zinc/58/46/50/332584650.db2.gz CDSXRHIZTLDBDU-INIZCTEOSA-N 1 1 308.425 3.691 20 30 DHEDMO N#Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc1 ZINC000110596692 333036863 /nfs/dbraw/zinc/03/68/63/333036863.db2.gz NVNQEMRGQVEERK-YQQQUEKLSA-N 1 1 318.424 3.561 20 30 DHEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCOC(C)(C)C1 ZINC000580248994 333040852 /nfs/dbraw/zinc/04/08/52/333040852.db2.gz YKHPWOSCSFQQDK-KRWDZBQOSA-N 1 1 305.849 3.971 20 30 DHEDMO CC[N@@H+](CCCC(C)(C)C#N)Cc1ccc(C(=O)N(C)C)cc1 ZINC000174845156 333091708 /nfs/dbraw/zinc/09/17/08/333091708.db2.gz ZMQFFDBXYBVDHU-UHFFFAOYSA-N 1 1 315.461 3.540 20 30 DHEDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000462073970 333126411 /nfs/dbraw/zinc/12/64/11/333126411.db2.gz YWAAWZHKOASMNS-OAHLLOKOSA-N 1 1 311.454 3.721 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000187950036 333154425 /nfs/dbraw/zinc/15/44/25/333154425.db2.gz HXMAGGVZAKCJTF-FXAWDEMLSA-N 1 1 314.473 3.712 20 30 DHEDMO C[C@H](CC#N)[N@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000180075751 333158102 /nfs/dbraw/zinc/15/81/02/333158102.db2.gz INLMZJOJCIBYGF-LLVKDONJSA-N 1 1 318.218 3.731 20 30 DHEDMO C[C@H](CC#N)[N@@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000180075751 333158104 /nfs/dbraw/zinc/15/81/04/333158104.db2.gz INLMZJOJCIBYGF-LLVKDONJSA-N 1 1 318.218 3.731 20 30 DHEDMO CN(CCC[N@@H+](C)CCCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000497163423 333187857 /nfs/dbraw/zinc/18/78/57/333187857.db2.gz TYDZPQSUIIOKEX-UHFFFAOYSA-N 1 1 311.470 3.505 20 30 DHEDMO C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)CC(C)(C)CCC#N ZINC000363877004 333188198 /nfs/dbraw/zinc/18/81/98/333188198.db2.gz UGTILFYRFFKHPO-UHFFFAOYSA-N 1 1 314.477 3.560 20 30 DHEDMO CC[C@H](CC#N)NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000184085595 333191800 /nfs/dbraw/zinc/19/18/00/333191800.db2.gz HRCXBYPVICNPOH-OAHLLOKOSA-N 1 1 305.853 3.586 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000184095945 333191995 /nfs/dbraw/zinc/19/19/95/333191995.db2.gz PCNCFYUAVYVXGD-SFHVURJKSA-N 1 1 310.445 3.639 20 30 DHEDMO C[C@@H](NCC[C@H](C)[NH+]1CCCCC1)c1ccc(OCC#N)cc1 ZINC000184513788 333197760 /nfs/dbraw/zinc/19/77/60/333197760.db2.gz IQCCVPKIUPSNQU-DLBZAZTESA-N 1 1 315.461 3.504 20 30 DHEDMO C[C@H](CCN[C@H](C)c1ccc(OCC#N)cc1)[NH+]1CCCCC1 ZINC000184513805 333197845 /nfs/dbraw/zinc/19/78/45/333197845.db2.gz IQCCVPKIUPSNQU-IAGOWNOFSA-N 1 1 315.461 3.504 20 30 DHEDMO N#CCCn1cc(C(=O)C[N@@H+]2CCCC3(CC3)C2)c2ccccc21 ZINC000186961744 333225531 /nfs/dbraw/zinc/22/55/31/333225531.db2.gz MKBPZQYATPBJJP-UHFFFAOYSA-N 1 1 321.424 3.614 20 30 DHEDMO N#CCCn1cc(C(=O)C[N@H+]2CCCC3(CC3)C2)c2ccccc21 ZINC000186961744 333225532 /nfs/dbraw/zinc/22/55/32/333225532.db2.gz MKBPZQYATPBJJP-UHFFFAOYSA-N 1 1 321.424 3.614 20 30 DHEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000497255278 333227961 /nfs/dbraw/zinc/22/79/61/333227961.db2.gz WZJXTOVCSBINNJ-PMPSAXMXSA-N 1 1 323.481 3.504 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[NH2+][C@H](CCCO)c1ccccc1 ZINC000187431054 333232465 /nfs/dbraw/zinc/23/24/65/333232465.db2.gz YCFFHERCJBKGSK-GOSISDBHSA-N 1 1 314.816 3.815 20 30 DHEDMO CC(C)[C@H](CC[N@@H+](C)[C@H]1CC[C@@H](C#N)C1)NC(=O)OC(C)(C)C ZINC000497309548 333234640 /nfs/dbraw/zinc/23/46/40/333234640.db2.gz AVAYMUCJQXQUCO-PMPSAXMXSA-N 1 1 323.481 3.550 20 30 DHEDMO C[N@@H+](CCCCC#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000364108202 333239578 /nfs/dbraw/zinc/23/95/78/333239578.db2.gz AFHBGJWMAXCORV-CQSZACIVSA-N 1 1 323.234 3.898 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000497424313 333249627 /nfs/dbraw/zinc/24/96/27/333249627.db2.gz BROBJSVYEXVJLZ-LJQANCHMSA-N 1 1 302.462 3.740 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000497496169 333256655 /nfs/dbraw/zinc/25/66/55/333256655.db2.gz UFSYPEUIYBAJFJ-LJQANCHMSA-N 1 1 324.399 3.783 20 30 DHEDMO N#Cc1c(Cl)cccc1NCC[N@H+]1CCc2ccccc2C1 ZINC000497550973 333261630 /nfs/dbraw/zinc/26/16/30/333261630.db2.gz YEXIAUNJOGDMGG-UHFFFAOYSA-N 1 1 311.816 3.682 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)cc1OC ZINC000294919257 335130492 /nfs/dbraw/zinc/13/04/92/335130492.db2.gz FLWUKGRETPEQNW-GOSISDBHSA-N 1 1 319.445 3.507 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1CC=C(c2cncc3ccccc32)CC1 ZINC000364277619 333281751 /nfs/dbraw/zinc/28/17/51/333281751.db2.gz CUVDZFGKDJKGNM-SFHVURJKSA-N 1 1 308.425 3.651 20 30 DHEDMO CC(C)[N@@H+](CCOc1cccc(C#N)c1)Cc1cccc(F)c1 ZINC000514091201 333323414 /nfs/dbraw/zinc/32/34/14/333323414.db2.gz YDRBGLWVMFNNBH-UHFFFAOYSA-N 1 1 312.388 3.987 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O ZINC000110106817 333326460 /nfs/dbraw/zinc/32/64/60/333326460.db2.gz IYHBFQUOWPYJDW-UHFFFAOYSA-N 1 1 304.393 3.716 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000188478850 333368131 /nfs/dbraw/zinc/36/81/31/333368131.db2.gz SMSPOEJVEAJYJV-LPHOPBHVSA-N 1 1 302.462 3.616 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000188617835 333380667 /nfs/dbraw/zinc/38/06/67/333380667.db2.gz DPXVBCOSDIZHNJ-KUHUBIRLSA-N 1 1 311.429 3.960 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(C#N)nc1 ZINC000390838059 333398465 /nfs/dbraw/zinc/39/84/65/333398465.db2.gz BAORNAWOCPTNBJ-LJQANCHMSA-N 1 1 320.440 3.666 20 30 DHEDMO N#CCc1ccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)cc1 ZINC000343419566 335163334 /nfs/dbraw/zinc/16/33/34/335163334.db2.gz LVPGKFDMXRHEQG-NRFANRHFSA-N 1 1 320.436 3.625 20 30 DHEDMO COc1ccc(C[N@@H+]2CC=C(C)CC2)cc1OCCCC#N ZINC000271182943 334019662 /nfs/dbraw/zinc/01/96/62/334019662.db2.gz LRFCTEIIJZLOQO-UHFFFAOYSA-N 1 1 300.402 3.530 20 30 DHEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000272045493 334030216 /nfs/dbraw/zinc/03/02/16/334030216.db2.gz SCSJMWJNVXHMQQ-MRXNPFEDSA-N 1 1 310.445 3.749 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000272062794 334030395 /nfs/dbraw/zinc/03/03/95/334030395.db2.gz XCSBDKYOQXBLTM-IAGOWNOFSA-N 1 1 304.409 3.653 20 30 DHEDMO Cc1cc(-c2noc([C@@H](C)[NH2+]CCC(C)(C)C#N)n2)ccc1F ZINC000273279789 334045004 /nfs/dbraw/zinc/04/50/04/334045004.db2.gz GLDDGSBGMGEOMU-GFCCVEGCSA-N 1 1 316.380 3.775 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273467558 334047475 /nfs/dbraw/zinc/04/74/75/334047475.db2.gz INVWRMVQTBTLNT-QAPCUYQASA-N 1 1 314.360 3.642 20 30 DHEDMO CCOc1cc(C[N@@H+](C)[C@@H](C)CCC#N)ccc1OC(F)F ZINC000276314686 334075546 /nfs/dbraw/zinc/07/55/46/334075546.db2.gz NDCWSQRZBJDARS-LBPRGKRZSA-N 1 1 312.360 3.811 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@H](c2ccsc2)O1 ZINC000343555506 335171877 /nfs/dbraw/zinc/17/18/77/335171877.db2.gz CRXFIQRVJPJBBE-KBXCAEBGSA-N 1 1 312.438 3.776 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@H](c2ccsc2)O1 ZINC000343555506 335171878 /nfs/dbraw/zinc/17/18/78/335171878.db2.gz CRXFIQRVJPJBBE-KBXCAEBGSA-N 1 1 312.438 3.776 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000277580188 334089083 /nfs/dbraw/zinc/08/90/83/334089083.db2.gz CCZQXCKMBXCGCE-HZPDHXFCSA-N 1 1 304.434 3.888 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@H]1OCCc2ccccc21 ZINC000277873508 334091538 /nfs/dbraw/zinc/09/15/38/334091538.db2.gz YRZQZEZSHPYWAT-GOSISDBHSA-N 1 1 300.446 3.952 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278342484 334095467 /nfs/dbraw/zinc/09/54/67/334095467.db2.gz CFRJXWKYXFWHOQ-OAHLLOKOSA-N 1 1 319.424 3.784 20 30 DHEDMO COC(=O)c1coc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000278898719 334103300 /nfs/dbraw/zinc/10/33/00/334103300.db2.gz ZGDCDNKZGSFZAY-XJKSGUPXSA-N 1 1 312.369 3.762 20 30 DHEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000282021865 334130619 /nfs/dbraw/zinc/13/06/19/334130619.db2.gz PFQGMMRXJWOQDR-HKUYNNGSSA-N 1 1 312.457 3.965 20 30 DHEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)[C@H](C)c1cccc(O)c1 ZINC000282112556 334131432 /nfs/dbraw/zinc/13/14/32/334131432.db2.gz XCDSGOGCSHXYBT-MRXNPFEDSA-N 1 1 316.445 3.876 20 30 DHEDMO CC(C)(C)c1ncc(C[NH2+][C@@H](CCC#N)c2ccccc2)cn1 ZINC000284440665 334143491 /nfs/dbraw/zinc/14/34/91/334143491.db2.gz STWXDTFDGLWFHR-KRWDZBQOSA-N 1 1 308.429 3.909 20 30 DHEDMO CC[C@](C)(C#N)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000285134503 334145736 /nfs/dbraw/zinc/14/57/36/334145736.db2.gz ODUAXEDYOFFUOY-LJQANCHMSA-N 1 1 324.428 3.933 20 30 DHEDMO C[N@@H+](CCCCC#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000285325663 334146919 /nfs/dbraw/zinc/14/69/19/334146919.db2.gz NLAWDZQRVTVHRR-UHFFFAOYSA-N 1 1 300.324 3.753 20 30 DHEDMO CC(C)(C#N)CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285471439 334148095 /nfs/dbraw/zinc/14/80/95/334148095.db2.gz HMBHGXURGIERBW-FQEVSTJZSA-N 1 1 311.473 3.524 20 30 DHEDMO CC(C)(C#N)CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285471439 334148096 /nfs/dbraw/zinc/14/80/96/334148096.db2.gz HMBHGXURGIERBW-FQEVSTJZSA-N 1 1 311.473 3.524 20 30 DHEDMO CC(C)(C#N)CC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285471439 334148097 /nfs/dbraw/zinc/14/80/97/334148097.db2.gz HMBHGXURGIERBW-FQEVSTJZSA-N 1 1 311.473 3.524 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285471439 334148098 /nfs/dbraw/zinc/14/80/98/334148098.db2.gz HMBHGXURGIERBW-FQEVSTJZSA-N 1 1 311.473 3.524 20 30 DHEDMO C[N@@H+](CCc1nc(-c2ccccc2)no1)CC(C)(C)CCC#N ZINC000289526539 334166303 /nfs/dbraw/zinc/16/63/03/334166303.db2.gz HKINGIKNFNKWRV-UHFFFAOYSA-N 1 1 312.417 3.541 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)s1 ZINC000289800384 334168072 /nfs/dbraw/zinc/16/80/72/334168072.db2.gz SJWFMIAEEVKWET-QYZOEREBSA-N 1 1 324.449 3.624 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291362198 334178147 /nfs/dbraw/zinc/17/81/47/334178147.db2.gz YKOQSAHCKGXUCP-FQEVSTJZSA-N 1 1 314.473 3.634 20 30 DHEDMO CC(C)(C)OC(=O)[C@]12CCC[C@H]1C[N@@H+](CC(C)(C)CCC#N)C2 ZINC000343671026 335181522 /nfs/dbraw/zinc/18/15/22/335181522.db2.gz DTKYNKJGVIFSIS-KXBFYZLASA-N 1 1 320.477 3.760 20 30 DHEDMO N#CCCC[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000292756423 334191939 /nfs/dbraw/zinc/19/19/39/334191939.db2.gz RYGKCFHCBPGHKW-CQSZACIVSA-N 1 1 307.235 3.617 20 30 DHEDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCOCCC#N ZINC000293508214 334198519 /nfs/dbraw/zinc/19/85/19/334198519.db2.gz OELLSSNPCRWUBE-LBPRGKRZSA-N 1 1 300.324 3.628 20 30 DHEDMO CCOc1cc2c(cc1OCC)C[N@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000293661970 334200290 /nfs/dbraw/zinc/20/02/90/334200290.db2.gz YUJCDRRBBJSNDW-WMLDXEAASA-N 1 1 314.429 3.534 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCCN(c3ccccc3Cl)CC2)C1 ZINC000296123389 334230103 /nfs/dbraw/zinc/23/01/03/334230103.db2.gz YOQFNJXSLBHVKC-CABCVRRESA-N 1 1 303.837 3.544 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000297933670 334244968 /nfs/dbraw/zinc/24/49/68/334244968.db2.gz RJFSFICBQSEJIM-SJLPKXTDSA-N 1 1 317.864 3.540 20 30 DHEDMO C=CC[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000187482367 334263436 /nfs/dbraw/zinc/26/34/36/334263436.db2.gz FXAXQMZOUQGSSV-MJGOQNOKSA-N 1 1 314.473 3.727 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C#N)Cc1ccc(Cl)cc1 ZINC000048554155 334289783 /nfs/dbraw/zinc/28/97/83/334289783.db2.gz DTIPHORBGJIVIS-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO CC(C)[N@@H+](CCOc1cccc(C#N)c1)Cc1cccs1 ZINC000049028814 334309372 /nfs/dbraw/zinc/30/93/72/334309372.db2.gz PPYCQBMSVFASLU-UHFFFAOYSA-N 1 1 300.427 3.909 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c1 ZINC000534654931 334313401 /nfs/dbraw/zinc/31/34/01/334313401.db2.gz XBPVDYDZXOIVTJ-SFHVURJKSA-N 1 1 312.800 3.865 20 30 DHEDMO C=CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000111256791 334314321 /nfs/dbraw/zinc/31/43/21/334314321.db2.gz TXYOZLYHLLWWAJ-LLVKDONJSA-N 1 1 310.800 3.704 20 30 DHEDMO COc1ccc(C[N@H+]2CCSC3(CCCCC3)C2)cc1C#N ZINC000534660135 334315837 /nfs/dbraw/zinc/31/58/37/334315837.db2.gz UDZNWKBWFVVWFG-UHFFFAOYSA-N 1 1 316.470 3.819 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)C[C@H](C)CC ZINC000303440897 334320375 /nfs/dbraw/zinc/32/03/75/334320375.db2.gz FSOSDWQWFASKON-CQSZACIVSA-N 1 1 306.475 3.881 20 30 DHEDMO CN(C)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000303393291 334322986 /nfs/dbraw/zinc/32/29/86/334322986.db2.gz QBRGZTLJRVONJA-HXUWFJFHSA-N 1 1 319.452 3.751 20 30 DHEDMO CN(C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000303393291 334322987 /nfs/dbraw/zinc/32/29/87/334322987.db2.gz QBRGZTLJRVONJA-HXUWFJFHSA-N 1 1 319.452 3.751 20 30 DHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000303840881 334334583 /nfs/dbraw/zinc/33/45/83/334334583.db2.gz BOKUCZDBTSXQBU-IBGZPJMESA-N 1 1 308.425 3.890 20 30 DHEDMO N#Cc1cccc(OCCC[N@@H+](CC(F)F)CC2CCC2)c1 ZINC000534903052 334347823 /nfs/dbraw/zinc/34/78/23/334347823.db2.gz NRSRECBYKXRJMA-UHFFFAOYSA-N 1 1 308.372 3.694 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+](CC(F)F)CC2CCC2)c1 ZINC000534903052 334347825 /nfs/dbraw/zinc/34/78/25/334347825.db2.gz NRSRECBYKXRJMA-UHFFFAOYSA-N 1 1 308.372 3.694 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000340934833 334394575 /nfs/dbraw/zinc/39/45/75/334394575.db2.gz XRHYDOIJNFJSPI-IAGOWNOFSA-N 1 1 315.461 3.785 20 30 DHEDMO Cc1nsc(SCC[N@H+](C)Cc2ccccc2)c1C#N ZINC000340932961 334394717 /nfs/dbraw/zinc/39/47/17/334394717.db2.gz UBZNVMDFAQKIPV-UHFFFAOYSA-N 1 1 303.456 3.547 20 30 DHEDMO N#Cc1cccc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)c1F ZINC000340907507 334396754 /nfs/dbraw/zinc/39/67/54/334396754.db2.gz OZFPOGQIVNBVSM-UHFFFAOYSA-N 1 1 310.372 3.815 20 30 DHEDMO C=CCCC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000341457887 334442569 /nfs/dbraw/zinc/44/25/69/334442569.db2.gz ICCHKGXAFLLMQY-UHFFFAOYSA-N 1 1 307.397 3.549 20 30 DHEDMO CC1CCC(CC(=O)NC2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000328741542 334750980 /nfs/dbraw/zinc/75/09/80/334750980.db2.gz JABFYUFWDZOHIR-UHFFFAOYSA-N 1 1 318.465 3.562 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C)CCCSC)ccc1OC ZINC000343684685 335188091 /nfs/dbraw/zinc/18/80/91/335188091.db2.gz SXFHUKUYFCJWOA-UHFFFAOYSA-N 1 1 309.475 3.835 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000344360809 335244346 /nfs/dbraw/zinc/24/43/46/335244346.db2.gz AMULBHPFJHXTQT-RVKKMQEKSA-N 1 1 315.436 3.535 20 30 DHEDMO CC[N@H+](CC(=O)N(C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000345213394 335308186 /nfs/dbraw/zinc/30/81/86/335308186.db2.gz QNSGKSYXNHVGSV-INIZCTEOSA-N 1 1 321.424 3.604 20 30 DHEDMO CC[N@@H+](CC(=O)N(C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000345213394 335308188 /nfs/dbraw/zinc/30/81/88/335308188.db2.gz QNSGKSYXNHVGSV-INIZCTEOSA-N 1 1 321.424 3.604 20 30 DHEDMO CC1(C[N@@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)COC1 ZINC000345939590 335362621 /nfs/dbraw/zinc/36/26/21/335362621.db2.gz UKDFZJBQYGZUII-UHFFFAOYSA-N 1 1 324.399 3.736 20 30 DHEDMO CCC1CCC([NH2+]CCCCC(C)(C)C#N)(C(=O)OC)CC1 ZINC000444663187 338479957 /nfs/dbraw/zinc/47/99/57/338479957.db2.gz KCQVTWMQIDTCQG-UHFFFAOYSA-N 1 1 308.466 3.808 20 30 DHEDMO Cc1ccn2cc(C[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)nc2c1 ZINC000346130341 335379443 /nfs/dbraw/zinc/37/94/43/335379443.db2.gz MCABLOPWWOQKLF-ZDUSSCGKSA-N 1 1 308.360 3.504 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cc(-n2ccnc2)cs1 ZINC000346308541 335398584 /nfs/dbraw/zinc/39/85/84/335398584.db2.gz FDHHQEVWGHXZCJ-UHFFFAOYSA-N 1 1 313.426 3.758 20 30 DHEDMO C=CCSc1ccccc1C(=O)N[C@H](C)C[N@H+](C)CCCC ZINC000520673559 336010589 /nfs/dbraw/zinc/01/05/89/336010589.db2.gz JRDRBHPPFZZHRA-OAHLLOKOSA-N 1 1 320.502 3.815 20 30 DHEDMO N#Cc1ccc(OCC[N@H+]2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC000583643033 336011176 /nfs/dbraw/zinc/01/11/76/336011176.db2.gz HAQNJOWLZXXMFL-IBGZPJMESA-N 1 1 310.372 3.508 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC000583643033 336011177 /nfs/dbraw/zinc/01/11/77/336011177.db2.gz HAQNJOWLZXXMFL-IBGZPJMESA-N 1 1 310.372 3.508 20 30 DHEDMO C=C(C)C[N@H+](C)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000351095432 336013502 /nfs/dbraw/zinc/01/35/02/336013502.db2.gz DZFZPIIGULBGGJ-SFHVURJKSA-N 1 1 306.258 3.609 20 30 DHEDMO C=C(C)C[N@@H+](C)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000351095432 336013503 /nfs/dbraw/zinc/01/35/03/336013503.db2.gz DZFZPIIGULBGGJ-SFHVURJKSA-N 1 1 306.258 3.609 20 30 DHEDMO CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCC[C@H](C3CC3)C2)on1 ZINC000329673723 336037258 /nfs/dbraw/zinc/03/72/58/336037258.db2.gz VAQSNESSGTWTBF-ZDUSSCGKSA-N 1 1 305.422 3.682 20 30 DHEDMO CC(C)(C)c1cc(NC(=O)C[N@H+]2CCC[C@H](C3CC3)C2)on1 ZINC000329673723 336037259 /nfs/dbraw/zinc/03/72/59/336037259.db2.gz VAQSNESSGTWTBF-ZDUSSCGKSA-N 1 1 305.422 3.682 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(C)c1 ZINC000351588444 336047503 /nfs/dbraw/zinc/04/75/03/336047503.db2.gz HWGADXVRXLGUNB-UHFFFAOYSA-N 1 1 312.388 3.654 20 30 DHEDMO CC[N@@H+](Cc1cnc2n[nH]c(C)c2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000351607500 336049755 /nfs/dbraw/zinc/04/97/55/336049755.db2.gz KRALYECNSPPSDY-AWEZNQCLSA-N 1 1 319.412 3.721 20 30 DHEDMO CCOc1cccc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000351609451 336050033 /nfs/dbraw/zinc/05/00/33/336050033.db2.gz UPQHLJDSTBYKEI-OAHLLOKOSA-N 1 1 309.413 3.935 20 30 DHEDMO CCOc1cccc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000351609450 336050069 /nfs/dbraw/zinc/05/00/69/336050069.db2.gz UPQHLJDSTBYKEI-HNNXBMFYSA-N 1 1 309.413 3.935 20 30 DHEDMO O=C(C[NH+]1CCC(c2ncc[nH]2)CC1)NCCC1CCCCC1 ZINC000329854987 336089564 /nfs/dbraw/zinc/08/95/64/336089564.db2.gz WZEIQBKQIGGBCA-UHFFFAOYSA-N 1 1 318.465 3.516 20 30 DHEDMO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000329964763 336100653 /nfs/dbraw/zinc/10/06/53/336100653.db2.gz UBYFFGPWWDANLV-OEAJRASXSA-N 1 1 321.465 3.547 20 30 DHEDMO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000329964763 336100654 /nfs/dbraw/zinc/10/06/54/336100654.db2.gz UBYFFGPWWDANLV-OEAJRASXSA-N 1 1 321.465 3.547 20 30 DHEDMO C[C@@H](NC(=O)c1coc(C2CCCCC2)n1)C1=CC[N@@H+](C)CC1 ZINC000330178819 336120973 /nfs/dbraw/zinc/12/09/73/336120973.db2.gz LXSAIUKOVPGHBE-CYBMUJFWSA-N 1 1 317.433 3.677 20 30 DHEDMO CC(C)c1nc([C@H]2CCC[N@@H+](Cc3ccc(CC#N)cc3)C2)no1 ZINC000332318718 336168123 /nfs/dbraw/zinc/16/81/23/336168123.db2.gz NFZWONOPLLHZBC-KRWDZBQOSA-N 1 1 324.428 3.639 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000352298441 336210920 /nfs/dbraw/zinc/21/09/20/336210920.db2.gz XPUZISRCRDZKPV-RVKKMQEKSA-N 1 1 315.436 3.535 20 30 DHEDMO CC(C)(CO)[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000352358323 336213968 /nfs/dbraw/zinc/21/39/68/336213968.db2.gz TWFQDMHXNDNLFM-GOSISDBHSA-N 1 1 312.388 3.547 20 30 DHEDMO Cc1cc([C@H]([NH2+]Cc2nc(C#N)cs2)C2CC2)ccc1F ZINC000352811777 336245558 /nfs/dbraw/zinc/24/55/58/336245558.db2.gz UFNIYMXNQFNPDP-MRXNPFEDSA-N 1 1 301.390 3.703 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)NCc1ccc(Cl)s1 ZINC000532414052 336245649 /nfs/dbraw/zinc/24/56/49/336245649.db2.gz GGFNTUDRYNSBEZ-UHFFFAOYSA-N 1 1 314.882 3.696 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000532764108 336269899 /nfs/dbraw/zinc/26/98/99/336269899.db2.gz UPBVHPPKKNZING-CQSZACIVSA-N 1 1 308.381 3.522 20 30 DHEDMO N#Cc1cc(F)ccc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000301356690 336302313 /nfs/dbraw/zinc/30/23/13/336302313.db2.gz MHCWREOOHCQGPX-QPJJXVBHSA-N 1 1 321.399 3.533 20 30 DHEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNc2ccc(Cl)c(C#N)n2)C1 ZINC000301503495 336310981 /nfs/dbraw/zinc/31/09/81/336310981.db2.gz FYCNPZWBGVWLMT-GFCCVEGCSA-N 1 1 306.841 3.529 20 30 DHEDMO C[N@@H+](CCNc1c(F)cc(C#N)cc1F)Cc1ccc(F)cc1 ZINC000301526645 336312525 /nfs/dbraw/zinc/31/25/25/336312525.db2.gz JIQPEYYNKDOLSZ-UHFFFAOYSA-N 1 1 319.330 3.519 20 30 DHEDMO C[N@H+]1CCC[C@H](CNc2ccc(C#N)nc2)[C@@H]1c1cccs1 ZINC000301584336 336316503 /nfs/dbraw/zinc/31/65/03/336316503.db2.gz VPXPSYLXLODORG-CXAGYDPISA-N 1 1 312.442 3.510 20 30 DHEDMO C[C@@H](CNc1ccc2cc(C#N)ccc2n1)[N@H+]1CCC[C@H](C)C1 ZINC000301975723 336340866 /nfs/dbraw/zinc/34/08/66/336340866.db2.gz LWKXPFMNGCDRGY-GJZGRUSLSA-N 1 1 308.429 3.639 20 30 DHEDMO CC(=O)c1ccc(C#N)c(NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000302079197 336347469 /nfs/dbraw/zinc/34/74/69/336347469.db2.gz BGSCQCHYDHVFPP-HNNXBMFYSA-N 1 1 313.445 3.827 20 30 DHEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000302185666 336353051 /nfs/dbraw/zinc/35/30/51/336353051.db2.gz UJWKBAOQEDMBIM-MRXNPFEDSA-N 1 1 316.405 3.533 20 30 DHEDMO Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1C#N ZINC000302610364 336362529 /nfs/dbraw/zinc/36/25/29/336362529.db2.gz DUIKRAHXMOZCEN-AEFFLSMTSA-N 1 1 320.440 3.727 20 30 DHEDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C2 ZINC000302614759 336362721 /nfs/dbraw/zinc/36/27/21/336362721.db2.gz CERPFFVNMYFTHP-CYBMUJFWSA-N 1 1 320.318 3.509 20 30 DHEDMO Cc1cn2c([nH+]1)CC[C@H](Nc1ccc(C#N)cc1C(F)(F)F)C2 ZINC000302621275 336362783 /nfs/dbraw/zinc/36/27/83/336362783.db2.gz DQAVBJXIDYFOFD-LBPRGKRZSA-N 1 1 320.318 3.509 20 30 DHEDMO CN(CCCCC#N)[C@@H]1CCCC[C@H]1[N@@H+](C)CCCCC#N ZINC000352969635 336380217 /nfs/dbraw/zinc/38/02/17/336380217.db2.gz SIPXVGWFPGZVAI-QZTJIDSGSA-N 1 1 304.482 3.549 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2ccc(OCC(C)C)cc2)CC1 ZINC000106469989 336390088 /nfs/dbraw/zinc/39/00/88/336390088.db2.gz PCAFDCSMNVHVIJ-UHFFFAOYSA-N 1 1 316.489 3.852 20 30 DHEDMO C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c2nccn21 ZINC000514652620 336393083 /nfs/dbraw/zinc/39/30/83/336393083.db2.gz HHMYGCSLVFNWCD-HZMBPMFUSA-N 1 1 320.318 3.569 20 30 DHEDMO C=CCc1cc(C[NH2+]C(C)(C)c2nccs2)cc(OC)c1O ZINC000116380611 336402349 /nfs/dbraw/zinc/40/23/49/336402349.db2.gz OZMYVJAFLGDMIZ-UHFFFAOYSA-N 1 1 318.442 3.611 20 30 DHEDMO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000356412080 336548898 /nfs/dbraw/zinc/54/88/98/336548898.db2.gz MATYJWZTOJXUKG-MEBBXXQBSA-N 1 1 321.833 3.534 20 30 DHEDMO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1ccc(C#N)cc1F ZINC000358566993 336634927 /nfs/dbraw/zinc/63/49/27/336634927.db2.gz IQAVHEXAVFHGCF-AWEZNQCLSA-N 1 1 311.404 3.610 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2nccc(C)c2C#N)cc1 ZINC000374582958 336992933 /nfs/dbraw/zinc/99/29/33/336992933.db2.gz FDHVRFVPXBRYOP-AWEZNQCLSA-N 1 1 317.396 3.929 20 30 DHEDMO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccccc1)c1ccc(C#N)cc1 ZINC000374624810 336993721 /nfs/dbraw/zinc/99/37/21/336993721.db2.gz RBMSPOROCVLZLK-FOIQADDNSA-N 1 1 316.408 3.732 20 30 DHEDMO C[C@]1(O)CCCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000375522870 337012642 /nfs/dbraw/zinc/01/26/42/337012642.db2.gz IZVWIYNHOXDFDC-IKGGRYGDSA-N 1 1 304.459 3.525 20 30 DHEDMO C[C@]1(O)CCCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000375522864 337012658 /nfs/dbraw/zinc/01/26/58/337012658.db2.gz IZVWIYNHOXDFDC-BBWFWOEESA-N 1 1 304.459 3.525 20 30 DHEDMO N#CCCCC[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000376557840 337036814 /nfs/dbraw/zinc/03/68/14/337036814.db2.gz LJVRPWSQBZQPEL-KRWDZBQOSA-N 1 1 321.465 3.594 20 30 DHEDMO CCCCCCCC[N@@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000376790864 337041227 /nfs/dbraw/zinc/04/12/27/337041227.db2.gz JRZJDXWAHRVYGV-UHFFFAOYSA-N 1 1 313.449 3.516 20 30 DHEDMO CCCCCCCC[N@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000376790864 337041228 /nfs/dbraw/zinc/04/12/28/337041228.db2.gz JRZJDXWAHRVYGV-UHFFFAOYSA-N 1 1 313.449 3.516 20 30 DHEDMO C=CCCCCCCNC(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000377005946 337045127 /nfs/dbraw/zinc/04/51/27/337045127.db2.gz GYRAKDHEJSUYAP-QGZVFWFLSA-N 1 1 321.509 3.781 20 30 DHEDMO N#CCCn1cc(C[N@H+]2CC[C@H](C3CC3)C2)c(-c2ccccc2)n1 ZINC000377395126 337051769 /nfs/dbraw/zinc/05/17/69/337051769.db2.gz ZXDAVQFCAMFZKN-SFHVURJKSA-N 1 1 320.440 3.696 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccnc4[nH]ccc43)CC2)cc1 ZINC000378444675 337073003 /nfs/dbraw/zinc/07/30/03/337073003.db2.gz XVHOKTRAIJNDGM-UHFFFAOYSA-N 1 1 314.392 3.724 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](n2cc3ccccc3n2)C1 ZINC000378574141 337075897 /nfs/dbraw/zinc/07/58/97/337075897.db2.gz GGTDEUIDTBYLDB-BEFAXECRSA-N 1 1 316.408 3.916 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000360037901 337084118 /nfs/dbraw/zinc/08/41/18/337084118.db2.gz SLDWHHVJMYGRIT-GOEBONIOSA-N 1 1 300.402 3.682 20 30 DHEDMO C=CCCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175731939 337147223 /nfs/dbraw/zinc/14/72/23/337147223.db2.gz SKVMTBAFCJNUAE-IEBWSBKVSA-N 1 1 314.473 3.854 20 30 DHEDMO C=CCCCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000175779421 337149177 /nfs/dbraw/zinc/14/91/77/337149177.db2.gz MLFSBICGTMXCQN-WMLDXEAASA-N 1 1 306.475 3.604 20 30 DHEDMO C=C(Br)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000176918152 337153605 /nfs/dbraw/zinc/15/36/05/337153605.db2.gz GQMATLGLLFYVAE-NEPJUHHUSA-N 1 1 316.264 3.545 20 30 DHEDMO C=C(Br)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000176918152 337153606 /nfs/dbraw/zinc/15/36/06/337153606.db2.gz GQMATLGLLFYVAE-NEPJUHHUSA-N 1 1 316.264 3.545 20 30 DHEDMO C=CC[NH+]1CCC(N[C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000177906273 337159026 /nfs/dbraw/zinc/15/90/26/337159026.db2.gz ZZMYYSTUAMSSIN-KRWDZBQOSA-N 1 1 320.864 3.794 20 30 DHEDMO C[C@@H]([NH2+][C@@H](C)c1cn(-c2ccccc2)nn1)c1cccc(C#N)c1 ZINC000178053816 337160132 /nfs/dbraw/zinc/16/01/32/337160132.db2.gz QWBVQLMRBYYIRQ-CABCVRRESA-N 1 1 317.396 3.551 20 30 DHEDMO C=CC[N@@H+](Cc1nnc(C2CCC2)n1C)CC1CCCCC1 ZINC000181327496 337181303 /nfs/dbraw/zinc/18/13/03/337181303.db2.gz GEAZBQRCXIRDEZ-UHFFFAOYSA-N 1 1 302.466 3.651 20 30 DHEDMO C=CC[N@H+](Cc1nnc(C2CCC2)n1C)CC1CCCCC1 ZINC000181327496 337181304 /nfs/dbraw/zinc/18/13/04/337181304.db2.gz GEAZBQRCXIRDEZ-UHFFFAOYSA-N 1 1 302.466 3.651 20 30 DHEDMO CC[N@@H+](CC(C)(C)CCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184801421 337200085 /nfs/dbraw/zinc/20/00/85/337200085.db2.gz ZEIDIXCCFMVXKX-LJQANCHMSA-N 1 1 313.489 3.913 20 30 DHEDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000185621920 337249637 /nfs/dbraw/zinc/24/96/37/337249637.db2.gz NMQQCBBSAJDJBI-KDOFPFPSSA-N 1 1 308.429 3.579 20 30 DHEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000185621939 337249691 /nfs/dbraw/zinc/24/96/91/337249691.db2.gz NMQQCBBSAJDJBI-KBXCAEBGSA-N 1 1 308.429 3.579 20 30 DHEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000187576615 337267102 /nfs/dbraw/zinc/26/71/02/337267102.db2.gz JQNXDIJZRPDZMY-DOTOQJQBSA-N 1 1 316.445 3.998 20 30 DHEDMO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000188555380 337273914 /nfs/dbraw/zinc/27/39/14/337273914.db2.gz CSJFDBXLEAKARK-SFHVURJKSA-N 1 1 312.457 3.514 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H](C)C2CC2)cc1 ZINC000191190101 337294022 /nfs/dbraw/zinc/29/40/22/337294022.db2.gz GPDYVQFLWAVQAS-HNNXBMFYSA-N 1 1 323.440 3.706 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCSCC[C@@H]2C)cc1OC ZINC000191815712 337300331 /nfs/dbraw/zinc/30/03/31/337300331.db2.gz HESKOTUTDKSCDP-AWEZNQCLSA-N 1 1 307.459 3.587 20 30 DHEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCC1 ZINC000191825585 337301614 /nfs/dbraw/zinc/30/16/14/337301614.db2.gz WDVAIQGAFAXDIM-GOSISDBHSA-N 1 1 312.457 3.514 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)cc1F ZINC000192059104 337302293 /nfs/dbraw/zinc/30/22/93/337302293.db2.gz VQDYTUCJTBIQKF-FQEVSTJZSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1ccc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)cc1F ZINC000192064977 337302399 /nfs/dbraw/zinc/30/23/99/337302399.db2.gz QCJGNKWXRODTGB-IBGZPJMESA-N 1 1 324.399 3.531 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)o1 ZINC000192191782 337303902 /nfs/dbraw/zinc/30/39/02/337303902.db2.gz GIVYIKZISARXCC-QGZVFWFLSA-N 1 1 314.360 3.774 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)o1 ZINC000192191782 337303903 /nfs/dbraw/zinc/30/39/03/337303903.db2.gz GIVYIKZISARXCC-QGZVFWFLSA-N 1 1 314.360 3.774 20 30 DHEDMO CCCO[C@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)CC1 ZINC000108398835 337387845 /nfs/dbraw/zinc/38/78/45/337387845.db2.gz PDMQUPSBMWJQCV-SFHVURJKSA-N 1 1 316.445 3.608 20 30 DHEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CC(=O)Nc1cccc(C#N)c1 ZINC000532934933 337393914 /nfs/dbraw/zinc/39/39/14/337393914.db2.gz KQXGJHNXXKUNMT-LJQANCHMSA-N 1 1 321.424 3.970 20 30 DHEDMO N#Cc1cccc(C[NH2+]Cc2ccccc2Br)c1 ZINC000037501701 337395664 /nfs/dbraw/zinc/39/56/64/337395664.db2.gz DOZTVJHOHYMGHJ-UHFFFAOYSA-N 1 1 301.187 3.611 20 30 DHEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1nc(-c2ccncc2)cs1 ZINC000124122992 337403915 /nfs/dbraw/zinc/40/39/15/337403915.db2.gz DUVLVAPYNUEVHA-ZDUSSCGKSA-N 1 1 320.421 3.928 20 30 DHEDMO C=CCOc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422904552 337690552 /nfs/dbraw/zinc/69/05/52/337690552.db2.gz GXZKXVPRTMUQPK-IPMKNSEASA-N 1 1 314.473 3.652 20 30 DHEDMO C[C@H](c1ccc(F)cc1)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000216382561 337898612 /nfs/dbraw/zinc/89/86/12/337898612.db2.gz CNJQAHCUWQQRNR-OXQOHEQNSA-N 1 1 323.415 3.769 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+](C)CC2CCCCC2)c(C#N)c1C ZINC000426407249 338031009 /nfs/dbraw/zinc/03/10/09/338031009.db2.gz YRMSGMGFWQLCFB-UHFFFAOYSA-N 1 1 319.474 3.687 20 30 DHEDMO CC[C@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCS1 ZINC000426444665 338032253 /nfs/dbraw/zinc/03/22/53/338032253.db2.gz JUSPWRFQUJALGY-HNNXBMFYSA-N 1 1 313.388 3.884 20 30 DHEDMO CC[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCS1 ZINC000426444665 338032254 /nfs/dbraw/zinc/03/22/54/338032254.db2.gz JUSPWRFQUJALGY-HNNXBMFYSA-N 1 1 313.388 3.884 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426455104 338032701 /nfs/dbraw/zinc/03/27/01/338032701.db2.gz AQPPMSHLURRFRO-HOCLYGCPSA-N 1 1 316.470 3.778 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000428390468 338033516 /nfs/dbraw/zinc/03/35/16/338033516.db2.gz CFAWNBMQCYMBJD-IBGZPJMESA-N 1 1 301.430 3.642 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c(Br)c1 ZINC000426522518 338034042 /nfs/dbraw/zinc/03/40/42/338034042.db2.gz KHFNEPRYEUJXBO-WFASDCNBSA-N 1 1 305.219 3.695 20 30 DHEDMO Cc1ccc(C2CC[NH+](Cc3cccc(F)c3C#N)CC2)cn1 ZINC000428323443 338047250 /nfs/dbraw/zinc/04/72/50/338047250.db2.gz JGEDCRLZSCGEGJ-UHFFFAOYSA-N 1 1 309.388 3.780 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000428339515 338047905 /nfs/dbraw/zinc/04/79/05/338047905.db2.gz DDEGQLMKHROAIM-OAHLLOKOSA-N 1 1 310.372 3.598 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000428339515 338047906 /nfs/dbraw/zinc/04/79/06/338047906.db2.gz DDEGQLMKHROAIM-OAHLLOKOSA-N 1 1 310.372 3.598 20 30 DHEDMO CCCC[N@@H+](C)CC1CCN(Cc2cccc(F)c2C#N)CC1 ZINC000428477317 338054502 /nfs/dbraw/zinc/05/45/02/338054502.db2.gz ZCUFOUIOWSUUJU-UHFFFAOYSA-N 1 1 317.452 3.641 20 30 DHEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)[C@@H]1OCCc2sccc21 ZINC000429145900 338071853 /nfs/dbraw/zinc/07/18/53/338071853.db2.gz VYJPELYOWMPUBX-DIFFPNOSSA-N 1 1 316.401 3.551 20 30 DHEDMO C[C@H]1CC[C@H]([N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000429560450 338084107 /nfs/dbraw/zinc/08/41/07/338084107.db2.gz NJEKHSWIWIDYHT-HOTGVXAUSA-N 1 1 323.440 3.858 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)Cc1csc(C2CCCC2)n1 ZINC000429710353 338088151 /nfs/dbraw/zinc/08/81/51/338088151.db2.gz VZENRMQDDRLAIS-UHFFFAOYSA-N 1 1 307.507 3.740 20 30 DHEDMO C[C@H](CC1CCOCC1)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000430123903 338097885 /nfs/dbraw/zinc/09/78/85/338097885.db2.gz MTLMMIBUYFMSHE-AHRSYUTCSA-N 1 1 312.457 3.678 20 30 DHEDMO CC[C@H](C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccccc1 ZINC000430161606 338099565 /nfs/dbraw/zinc/09/95/65/338099565.db2.gz NRCLHEUWKLPXNJ-IEBWSBKVSA-N 1 1 321.424 3.600 20 30 DHEDMO CC[C@@H](C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccccc1 ZINC000430161610 338099574 /nfs/dbraw/zinc/09/95/74/338099574.db2.gz NRCLHEUWKLPXNJ-PKOBYXMFSA-N 1 1 321.424 3.600 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](CSC)C2)cc(OC)c1O ZINC000430190639 338100353 /nfs/dbraw/zinc/10/03/53/338100353.db2.gz GSFQQQWBFACNOP-CQSZACIVSA-N 1 1 321.486 3.704 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000430280990 338104125 /nfs/dbraw/zinc/10/41/25/338104125.db2.gz BXGJDUJNCFSBLO-AWEZNQCLSA-N 1 1 316.470 3.801 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000430280990 338104126 /nfs/dbraw/zinc/10/41/26/338104126.db2.gz BXGJDUJNCFSBLO-AWEZNQCLSA-N 1 1 316.470 3.801 20 30 DHEDMO Cn1cc(C[N@@H+](CCCCC#N)Cc2ccc(Cl)cc2)cn1 ZINC000430282805 338104169 /nfs/dbraw/zinc/10/41/69/338104169.db2.gz HGDATQVEFZKESH-UHFFFAOYSA-N 1 1 316.836 3.770 20 30 DHEDMO C=CCN1CCC([NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432241018 338150038 /nfs/dbraw/zinc/15/00/38/338150038.db2.gz NINBQQOWIDGPFW-UHFFFAOYSA-N 1 1 305.274 3.795 20 30 DHEDMO C[N@H+](Cc1nc2ccc(F)cc2s1)Cc1ccc(C#N)cc1 ZINC000432748346 338166016 /nfs/dbraw/zinc/16/60/16/338166016.db2.gz BWSVVGOBOQYKSU-UHFFFAOYSA-N 1 1 311.385 3.939 20 30 DHEDMO C[N@@H+](Cc1nc2ccc(F)cc2s1)Cc1ccc(C#N)cc1 ZINC000432748346 338166017 /nfs/dbraw/zinc/16/60/17/338166017.db2.gz BWSVVGOBOQYKSU-UHFFFAOYSA-N 1 1 311.385 3.939 20 30 DHEDMO CCCn1c(C)nnc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433022616 338176761 /nfs/dbraw/zinc/17/67/61/338176761.db2.gz LEBKXUVZSPFMMY-KRWDZBQOSA-N 1 1 311.433 3.521 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433266375 338188716 /nfs/dbraw/zinc/18/87/16/338188716.db2.gz UEJOFXGLDDJIFH-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433266375 338188717 /nfs/dbraw/zinc/18/87/17/338188717.db2.gz UEJOFXGLDDJIFH-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccc(OC)cc1 ZINC000435131687 338232937 /nfs/dbraw/zinc/23/29/37/338232937.db2.gz DXLRGCJAPRSZCQ-UHFFFAOYSA-N 1 1 323.396 3.867 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCc3ccccc3C2)cc1OC ZINC000435243186 338235173 /nfs/dbraw/zinc/23/51/73/338235173.db2.gz RJVKVPRDTHYILA-UHFFFAOYSA-N 1 1 309.409 3.818 20 30 DHEDMO N#Cc1ccc(CNC[C@H]2CCC[N@H+]2C2CCCCC2)s1 ZINC000435732524 338246793 /nfs/dbraw/zinc/24/67/93/338246793.db2.gz QLPITIAHPPHFFZ-OAHLLOKOSA-N 1 1 303.475 3.506 20 30 DHEDMO N#Cc1ccc(C[NH2+]C[C@H]2CCCN2C2CCCCC2)s1 ZINC000435732524 338246794 /nfs/dbraw/zinc/24/67/94/338246794.db2.gz QLPITIAHPPHFFZ-OAHLLOKOSA-N 1 1 303.475 3.506 20 30 DHEDMO C=CC[N@H+](C)Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000154779841 338252372 /nfs/dbraw/zinc/25/23/72/338252372.db2.gz CBMFFOCEAXZHPC-UHFFFAOYSA-N 1 1 320.234 3.561 20 30 DHEDMO CC[C@@H](C)[C@@H](C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000436244401 338263240 /nfs/dbraw/zinc/26/32/40/338263240.db2.gz YTEYVQUOMVSMLM-HUUCEWRRSA-N 1 1 313.445 3.786 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)ccc1OC ZINC000438379086 338342253 /nfs/dbraw/zinc/34/22/53/338342253.db2.gz VEXMZKTWHOAXJK-ARFHVFGLSA-N 1 1 319.445 3.648 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)ccc1OC ZINC000438379086 338342254 /nfs/dbraw/zinc/34/22/54/338342254.db2.gz VEXMZKTWHOAXJK-ARFHVFGLSA-N 1 1 319.445 3.648 20 30 DHEDMO COc1cc(C[NH2+]Cc2nc(C(C)C)c(C)s2)ccc1C#N ZINC000440819445 338398099 /nfs/dbraw/zinc/39/80/99/338398099.db2.gz CINNGSNJUWHISS-UHFFFAOYSA-N 1 1 315.442 3.745 20 30 DHEDMO CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1nc(C)cs1 ZINC000440823420 338398284 /nfs/dbraw/zinc/39/82/84/338398284.db2.gz GDHRTICZFUDLCH-AWEZNQCLSA-N 1 1 301.415 3.573 20 30 DHEDMO Cc1cc(C[NH2+]Cc2nc3ccccc3n2C2CC2)ccc1C#N ZINC000446760227 338535490 /nfs/dbraw/zinc/53/54/90/338535490.db2.gz SIIVAPUKPPKJKR-UHFFFAOYSA-N 1 1 316.408 3.841 20 30 DHEDMO N#CC1(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000450843069 338708063 /nfs/dbraw/zinc/70/80/63/338708063.db2.gz HNILVIQYBSRNDT-GJZGRUSLSA-N 1 1 308.784 3.593 20 30 DHEDMO C[C@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1ccc(C#N)cc1F ZINC000453266187 338816232 /nfs/dbraw/zinc/81/62/32/338816232.db2.gz KXHJFRZPJDIDFF-JTQLQIEISA-N 1 1 323.293 3.962 20 30 DHEDMO C=C(CC)CNC(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000459075167 339012808 /nfs/dbraw/zinc/01/28/08/339012808.db2.gz KUVJUMAMOGGRSI-UHFFFAOYSA-N 1 1 323.525 3.742 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)CC1CCC(F)(F)CC1 ZINC000459331763 339022243 /nfs/dbraw/zinc/02/22/43/339022243.db2.gz WQLRQHFNJXJDKX-UHFFFAOYSA-N 1 1 322.399 3.832 20 30 DHEDMO C[C@@]1([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])CCCc2ccccc21 ZINC000459371460 339025194 /nfs/dbraw/zinc/02/51/94/339025194.db2.gz PMBQEUNJJWLHFD-LJQANCHMSA-N 1 1 321.380 3.808 20 30 DHEDMO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)[C@H]1Sc1ccccc1 ZINC000459472139 339031177 /nfs/dbraw/zinc/03/11/77/339031177.db2.gz ABHRNTHFPKTPMY-KTQBOKQISA-N 1 1 316.470 3.607 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(O)c(OCC)c1 ZINC000459477272 339031513 /nfs/dbraw/zinc/03/15/13/339031513.db2.gz GZKITSHIGNAPHT-UHFFFAOYSA-N 1 1 301.386 3.615 20 30 DHEDMO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1C#N ZINC000459598083 339038059 /nfs/dbraw/zinc/03/80/59/339038059.db2.gz QZXAJPBSXQUQJL-UHFFFAOYSA-N 1 1 316.836 3.603 20 30 DHEDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1C#N ZINC000459598083 339038060 /nfs/dbraw/zinc/03/80/60/339038060.db2.gz QZXAJPBSXQUQJL-UHFFFAOYSA-N 1 1 316.836 3.603 20 30 DHEDMO C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1nc2c(s1)CCC2 ZINC000459630056 339039274 /nfs/dbraw/zinc/03/92/74/339039274.db2.gz HWLUQUXHCWNBFS-LBPRGKRZSA-N 1 1 316.857 3.988 20 30 DHEDMO C=CCc1cc(C[N@@H+]2CCCC[C@@H]2COCC)cc(OC)c1O ZINC000459672359 339042165 /nfs/dbraw/zinc/04/21/65/339042165.db2.gz HZAQEWPFMICLPV-QGZVFWFLSA-N 1 1 319.445 3.520 20 30 DHEDMO CC#CCC[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000462329508 339075857 /nfs/dbraw/zinc/07/58/57/339075857.db2.gz ZUYJXCSKHNWTAG-UHFFFAOYSA-N 1 1 307.437 3.874 20 30 DHEDMO N#Cc1ccc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1Cl ZINC000462948112 339098824 /nfs/dbraw/zinc/09/88/24/339098824.db2.gz WAYVBYADWWUSRY-MRXNPFEDSA-N 1 1 303.837 3.888 20 30 DHEDMO N#Cc1ccccc1N1CCC[N@H+]([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000463080209 339104972 /nfs/dbraw/zinc/10/49/72/339104972.db2.gz UDKCCYVDXHUMRG-PZJWPPBQSA-N 1 1 317.436 3.626 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)CC(C)(C)C ZINC000463361341 339115768 /nfs/dbraw/zinc/11/57/68/339115768.db2.gz ZLWGDHWMNPTGEG-UHFFFAOYSA-N 1 1 307.463 3.543 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000464725046 339150104 /nfs/dbraw/zinc/15/01/04/339150104.db2.gz LIFCPCDQWBNRGK-YJBOKZPZSA-N 1 1 318.436 3.633 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000464725043 339150120 /nfs/dbraw/zinc/15/01/20/339150120.db2.gz LIFCPCDQWBNRGK-CRAIPNDOSA-N 1 1 318.436 3.633 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOc1ccccc1 ZINC000464837522 339156518 /nfs/dbraw/zinc/15/65/18/339156518.db2.gz XSBMITXEJWRIAO-VQTJNVASSA-N 1 1 306.409 3.837 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOc1ccccc1 ZINC000464837522 339156519 /nfs/dbraw/zinc/15/65/19/339156519.db2.gz XSBMITXEJWRIAO-VQTJNVASSA-N 1 1 306.409 3.837 20 30 DHEDMO CC#CCCCC(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000466666641 339212405 /nfs/dbraw/zinc/21/24/05/339212405.db2.gz UGEPIRHXCOMLQU-UHFFFAOYSA-N 1 1 320.521 3.787 20 30 DHEDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000467210161 339228468 /nfs/dbraw/zinc/22/84/68/339228468.db2.gz CDWSQHDJCDVKAO-DOMZBBRYSA-N 1 1 319.836 3.661 20 30 DHEDMO C=CCC[N@H+](C)Cc1c(C(=O)OC)sc2cccc(F)c21 ZINC000467290861 339229993 /nfs/dbraw/zinc/22/99/93/339229993.db2.gz SJDKKMBQCLITBA-UHFFFAOYSA-N 1 1 307.390 3.835 20 30 DHEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000467294575 339230083 /nfs/dbraw/zinc/23/00/83/339230083.db2.gz AISMUUKFNNPINU-HZPDHXFCSA-N 1 1 310.441 3.913 20 30 DHEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000467294540 339230124 /nfs/dbraw/zinc/23/01/24/339230124.db2.gz ADYUEPNJOBOLDG-HOTGVXAUSA-N 1 1 310.441 3.913 20 30 DHEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000467294541 339230145 /nfs/dbraw/zinc/23/01/45/339230145.db2.gz ADYUEPNJOBOLDG-HZPDHXFCSA-N 1 1 310.441 3.913 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)cc1 ZINC000467547950 339241885 /nfs/dbraw/zinc/24/18/85/339241885.db2.gz WHOBQGYHRVFXGC-LJQANCHMSA-N 1 1 311.429 3.712 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000467696346 339244516 /nfs/dbraw/zinc/24/45/16/339244516.db2.gz UNBAKEAUAITFRR-MSOLQXFVSA-N 1 1 300.446 3.512 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000467890161 339248720 /nfs/dbraw/zinc/24/87/20/339248720.db2.gz OOVCWDHWXSQEIK-VQTJNVASSA-N 1 1 314.473 3.760 20 30 DHEDMO C=CCOCCC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000470760596 339326940 /nfs/dbraw/zinc/32/69/40/339326940.db2.gz QWFBMOLPQARSQR-UHFFFAOYSA-N 1 1 314.404 3.989 20 30 DHEDMO C=CCOCCC[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000470761122 339327056 /nfs/dbraw/zinc/32/70/56/339327056.db2.gz VFBINWFJTDVKPY-BBWFWOEESA-N 1 1 323.477 3.554 20 30 DHEDMO C=CCOCCC[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000470761127 339327152 /nfs/dbraw/zinc/32/71/52/339327152.db2.gz VFBINWFJTDVKPY-ZACQAIPSSA-N 1 1 323.477 3.554 20 30 DHEDMO C=CCOCCC[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000470774373 339327384 /nfs/dbraw/zinc/32/73/84/339327384.db2.gz SMKKGEPKDTWTKR-HKUYNNGSSA-N 1 1 303.446 3.658 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1 ZINC000470918429 339331292 /nfs/dbraw/zinc/33/12/92/339331292.db2.gz JGAKHQHBMVXBKF-IBGZPJMESA-N 1 1 311.425 3.505 20 30 DHEDMO C=C(C)CN(Cc1ccccc1)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000471802873 339354711 /nfs/dbraw/zinc/35/47/11/339354711.db2.gz DIVRETKZJJEDER-KRWDZBQOSA-N 1 1 317.477 3.505 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000472349971 339370607 /nfs/dbraw/zinc/37/06/07/339370607.db2.gz PGKLHAYERHWGKZ-DNVCBOLYSA-N 1 1 318.436 3.633 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000472581111 339374253 /nfs/dbraw/zinc/37/42/53/339374253.db2.gz MEAGTRNLVJTDOQ-HOTGVXAUSA-N 1 1 324.262 3.913 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000472744196 339376673 /nfs/dbraw/zinc/37/66/73/339376673.db2.gz BQFCZBDCAITRPZ-TZIWHRDSSA-N 1 1 307.437 3.961 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1ccccc1Br ZINC000472752188 339376895 /nfs/dbraw/zinc/37/68/95/339376895.db2.gz QOHGSCDNAAICBW-OLZOCXBDSA-N 1 1 312.251 3.769 20 30 DHEDMO C=CCCC[NH+]1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000473056138 339380800 /nfs/dbraw/zinc/38/08/00/339380800.db2.gz YTTMEBZMTISCDR-UHFFFAOYSA-N 1 1 320.483 3.687 20 30 DHEDMO C[N@H+]1CC[C@H](CSc2nc(-c3ccccc3)ccc2C#N)C1 ZINC000473784743 339391994 /nfs/dbraw/zinc/39/19/94/339391994.db2.gz OLXYIRAIYCZEBL-AWEZNQCLSA-N 1 1 309.438 3.664 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1C)c1ccc(F)cc1 ZINC000491703752 339874834 /nfs/dbraw/zinc/87/48/34/339874834.db2.gz OBLOPWKTWMNQIK-QGZVFWFLSA-N 1 1 313.372 3.615 20 30 DHEDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000497025886 340018579 /nfs/dbraw/zinc/01/85/79/340018579.db2.gz BUZCJEJOYCSXMA-OAHLLOKOSA-N 1 1 323.481 3.696 20 30 DHEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000498651707 340021464 /nfs/dbraw/zinc/02/14/64/340021464.db2.gz AXMSOVZESWOWJA-KRWDZBQOSA-N 1 1 313.445 3.691 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000498791157 340023320 /nfs/dbraw/zinc/02/33/20/340023320.db2.gz ONRIABXLDCKLRC-IBGZPJMESA-N 1 1 306.409 3.644 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000501256889 340077404 /nfs/dbraw/zinc/07/74/04/340077404.db2.gz JFSGGYKSNLRRIT-LJQANCHMSA-N 1 1 306.409 3.774 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000501779630 340088523 /nfs/dbraw/zinc/08/85/23/340088523.db2.gz XKQDMINVVCEUKB-JYJNAYRXSA-N 1 1 320.502 3.629 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1OC ZINC000502443344 340103718 /nfs/dbraw/zinc/10/37/18/340103718.db2.gz FJAXRKVVWRBIJP-MRXNPFEDSA-N 1 1 324.424 3.710 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1OC ZINC000502443344 340103719 /nfs/dbraw/zinc/10/37/19/340103719.db2.gz FJAXRKVVWRBIJP-MRXNPFEDSA-N 1 1 324.424 3.710 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000502442977 340103768 /nfs/dbraw/zinc/10/37/68/340103768.db2.gz FGUNTWHZAFHPLY-IEBWSBKVSA-N 1 1 314.473 3.854 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000502442977 340103769 /nfs/dbraw/zinc/10/37/69/340103769.db2.gz FGUNTWHZAFHPLY-IEBWSBKVSA-N 1 1 314.473 3.854 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000505023233 340159169 /nfs/dbraw/zinc/15/91/69/340159169.db2.gz KMOOUIGPNPDNTB-HZPDHXFCSA-N 1 1 315.461 3.752 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000505046318 340159943 /nfs/dbraw/zinc/15/99/43/340159943.db2.gz RTXRIVHLXXSIOP-DLBZAZTESA-N 1 1 313.445 3.554 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2C[C@H](C)OC[C@H]2CC)ccc1OC ZINC000505597528 340172154 /nfs/dbraw/zinc/17/21/54/340172154.db2.gz RPVGSCONAKHJLA-DOTOQJQBSA-N 1 1 319.445 3.649 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2C[C@H](C)OC[C@H]2CC)ccc1OC ZINC000505597528 340172155 /nfs/dbraw/zinc/17/21/55/340172155.db2.gz RPVGSCONAKHJLA-DOTOQJQBSA-N 1 1 319.445 3.649 20 30 DHEDMO C[C@@H](C#N)C[N@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000505778312 340177681 /nfs/dbraw/zinc/17/76/81/340177681.db2.gz UIPJGFROBQEMAE-INIZCTEOSA-N 1 1 321.424 3.774 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000505778312 340177682 /nfs/dbraw/zinc/17/76/82/340177682.db2.gz UIPJGFROBQEMAE-INIZCTEOSA-N 1 1 321.424 3.774 20 30 DHEDMO C=CCCC[C@@H](C)[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000506047331 340184175 /nfs/dbraw/zinc/18/41/75/340184175.db2.gz KCXHMMSBWAIJRD-GOSISDBHSA-N 1 1 308.510 3.556 20 30 DHEDMO C[N@@H+](CCOc1ccccc1Cl)Cc1ccc(C#N)s1 ZINC000506160579 340187082 /nfs/dbraw/zinc/18/70/82/340187082.db2.gz RNYKMPLWXRTCNF-UHFFFAOYSA-N 1 1 306.818 3.784 20 30 DHEDMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1ccc(C#N)s1 ZINC000506758051 340201125 /nfs/dbraw/zinc/20/11/25/340201125.db2.gz JGLRXUYSKGVUDF-UHFFFAOYSA-N 1 1 306.818 3.784 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000507206438 340213233 /nfs/dbraw/zinc/21/32/33/340213233.db2.gz OEFMPCAMDCIBKF-ZWKOTPCHSA-N 1 1 314.473 3.597 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccccc1)[C@H](C)CC ZINC000507693119 340228571 /nfs/dbraw/zinc/22/85/71/340228571.db2.gz JMZUDTYPGBEIBY-QGZVFWFLSA-N 1 1 302.462 3.712 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCO[C@@H](CC)C1 ZINC000507798953 340231858 /nfs/dbraw/zinc/23/18/58/340231858.db2.gz WRFMDSIOLJKFDA-MOPGFXCFSA-N 1 1 300.446 3.975 20 30 DHEDMO Cc1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)ccc1F ZINC000509099676 340261356 /nfs/dbraw/zinc/26/13/56/340261356.db2.gz OLIYZFUQRSDJAG-UHFFFAOYSA-N 1 1 323.415 3.718 20 30 DHEDMO C=CC[N@H+](CCCOC)Cc1cc(Br)ccc1F ZINC000303154685 340306685 /nfs/dbraw/zinc/30/66/85/340306685.db2.gz WIBSEMVOFXTMTJ-UHFFFAOYSA-N 1 1 316.214 3.613 20 30 DHEDMO C[N@H+](CCOc1ccc(Cl)cc1)Cc1ccc(F)cc1C#N ZINC000303180543 340310502 /nfs/dbraw/zinc/31/05/02/340310502.db2.gz KFVABWQAMQLCIQ-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1ccc(F)cc1C#N ZINC000303180543 340310503 /nfs/dbraw/zinc/31/05/03/340310503.db2.gz KFVABWQAMQLCIQ-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000510874280 340313563 /nfs/dbraw/zinc/31/35/63/340313563.db2.gz YRXLRPJIISPWPZ-NSHDSACASA-N 1 1 316.298 3.974 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000303957413 340356337 /nfs/dbraw/zinc/35/63/37/340356337.db2.gz XXFZAWFBHZHZSO-MRXNPFEDSA-N 1 1 324.424 3.509 20 30 DHEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000512464337 340362829 /nfs/dbraw/zinc/36/28/29/340362829.db2.gz WNHMMWGFYFRHJH-QAPCUYQASA-N 1 1 305.849 3.707 20 30 DHEDMO C=CCOc1ccccc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000512546684 340366320 /nfs/dbraw/zinc/36/63/20/340366320.db2.gz FXBCFSLMKOPEJB-UHFFFAOYSA-N 1 1 314.473 3.702 20 30 DHEDMO COC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000512617965 340369257 /nfs/dbraw/zinc/36/92/57/340369257.db2.gz HDKGEGDJBUADRI-KPZWWZAWSA-N 1 1 316.351 3.875 20 30 DHEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512618817 340369289 /nfs/dbraw/zinc/36/92/89/340369289.db2.gz JVIJKURQRRBNAZ-FZKCQIBNSA-N 1 1 317.452 3.714 20 30 DHEDMO C[C@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1ccc(C#N)cc1F ZINC000512667509 340372043 /nfs/dbraw/zinc/37/20/43/340372043.db2.gz PXHQOKPDHJVVEN-LIRRHRJNSA-N 1 1 317.452 3.858 20 30 DHEDMO COc1cccc(C2=CC[N@H+](Cc3ccc(C#N)s3)CC2)c1 ZINC000512678799 340372693 /nfs/dbraw/zinc/37/26/93/340372693.db2.gz SBZYJOPVEDBUGB-UHFFFAOYSA-N 1 1 310.422 3.918 20 30 DHEDMO COc1cccc(C2=CC[N@@H+](Cc3ccc(C#N)s3)CC2)c1 ZINC000512678799 340372694 /nfs/dbraw/zinc/37/26/94/340372694.db2.gz SBZYJOPVEDBUGB-UHFFFAOYSA-N 1 1 310.422 3.918 20 30 DHEDMO Cc1cccc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c1C ZINC000404089815 340377581 /nfs/dbraw/zinc/37/75/81/340377581.db2.gz TVGLTKHJZZGBRL-UHFFFAOYSA-N 1 1 323.415 3.636 20 30 DHEDMO CCc1ccc([C@H](CO)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000305825550 340389876 /nfs/dbraw/zinc/38/98/76/340389876.db2.gz QUCSNKHTCSHDGK-YJYMSZOUSA-N 1 1 312.388 3.644 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2C[C@@H](C)CC(C)(C)C2)c(C#N)c1C ZINC000543181200 341035433 /nfs/dbraw/zinc/03/54/33/341035433.db2.gz DBXMWUQCGALPNS-NSHDSACASA-N 1 1 319.474 3.543 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C)CC(C)(C)C2)c(C#N)c1C ZINC000543181200 341035434 /nfs/dbraw/zinc/03/54/34/341035434.db2.gz DBXMWUQCGALPNS-NSHDSACASA-N 1 1 319.474 3.543 20 30 DHEDMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000543206654 341036760 /nfs/dbraw/zinc/03/67/60/341036760.db2.gz YIGWUPBVNGZCAU-FQEVSTJZSA-N 1 1 306.409 3.635 20 30 DHEDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000543206654 341036761 /nfs/dbraw/zinc/03/67/61/341036761.db2.gz YIGWUPBVNGZCAU-FQEVSTJZSA-N 1 1 306.409 3.635 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000544070364 341069073 /nfs/dbraw/zinc/06/90/73/341069073.db2.gz UOWGTQGBCHQVOK-UHFFFAOYSA-N 1 1 301.393 3.792 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000544070364 341069074 /nfs/dbraw/zinc/06/90/74/341069074.db2.gz UOWGTQGBCHQVOK-UHFFFAOYSA-N 1 1 301.393 3.792 20 30 DHEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000544068359 341069127 /nfs/dbraw/zinc/06/91/27/341069127.db2.gz JUBTZTOPGURPID-YWZLYKJASA-N 1 1 306.409 3.577 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C(C)(C)C)C2)c(C#N)c1C ZINC000544186101 341073637 /nfs/dbraw/zinc/07/36/37/341073637.db2.gz ODKAVCNEJVYLQT-ZDUSSCGKSA-N 1 1 319.474 3.543 20 30 DHEDMO C=CCOc1ccc(C[N@H+](Cc2cncn2C)C(C)(C)C)cc1 ZINC000131863382 341112874 /nfs/dbraw/zinc/11/28/74/341112874.db2.gz RILGWLXYQMRVOU-UHFFFAOYSA-N 1 1 313.445 3.786 20 30 DHEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000134245332 341210626 /nfs/dbraw/zinc/21/06/26/341210626.db2.gz RSNKAQKKWYAGOQ-DJJJIMSYSA-N 1 1 310.372 3.521 20 30 DHEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000134245355 341210672 /nfs/dbraw/zinc/21/06/72/341210672.db2.gz RSNKAQKKWYAGOQ-YJYMSZOUSA-N 1 1 310.372 3.521 20 30 DHEDMO COc1cc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)ccc1C ZINC000564323189 341218631 /nfs/dbraw/zinc/21/86/31/341218631.db2.gz DZVUEUKRUYQXSK-UHFFFAOYSA-N 1 1 324.424 3.524 20 30 DHEDMO C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC000547978556 341241757 /nfs/dbraw/zinc/24/17/57/341241757.db2.gz JSPLZQABRRMPEY-VQTJNVASSA-N 1 1 320.436 3.649 20 30 DHEDMO C=CC[C@H](C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC000547978556 341241758 /nfs/dbraw/zinc/24/17/58/341241758.db2.gz JSPLZQABRRMPEY-VQTJNVASSA-N 1 1 320.436 3.649 20 30 DHEDMO C=CCC[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000548631336 341267913 /nfs/dbraw/zinc/26/79/13/341267913.db2.gz CVAXAROQRPMPPR-IEBWSBKVSA-N 1 1 314.473 3.583 20 30 DHEDMO C[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000548636680 341268236 /nfs/dbraw/zinc/26/82/36/341268236.db2.gz IYFWCVYLZUASFK-CYBMUJFWSA-N 1 1 323.371 3.519 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000548788384 341275612 /nfs/dbraw/zinc/27/56/12/341275612.db2.gz SFOFXWXLKOCWOM-LJQANCHMSA-N 1 1 319.408 3.799 20 30 DHEDMO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccncc1F ZINC000548930078 341281407 /nfs/dbraw/zinc/28/14/07/341281407.db2.gz FTHVGBDUFQDRKP-LBPRGKRZSA-N 1 1 322.305 3.942 20 30 DHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)[C@@H]1CC[C@@H](C#N)C1 ZINC000549405483 341293393 /nfs/dbraw/zinc/29/33/93/341293393.db2.gz TVLYOYOGVRKPCU-NVXWUHKLSA-N 1 1 309.413 3.898 20 30 DHEDMO C=CCOCC[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000549916704 341306478 /nfs/dbraw/zinc/30/64/78/341306478.db2.gz YTOCMTJDGIMDQM-UHFFFAOYSA-N 1 1 311.347 3.997 20 30 DHEDMO Cc1cc(C)c(C#N)c(S[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000550002091 341308507 /nfs/dbraw/zinc/30/85/07/341308507.db2.gz FBBXOSBJKFXYRB-KRWDZBQOSA-N 1 1 323.465 3.937 20 30 DHEDMO C=CCC(C)(C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000551342537 341339134 /nfs/dbraw/zinc/33/91/34/341339134.db2.gz DNIZXYNFOWUJJZ-MRXNPFEDSA-N 1 1 302.462 3.616 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c(C#N)c1C ZINC000246400078 341347400 /nfs/dbraw/zinc/34/74/00/341347400.db2.gz QNFKBZHLTPIKAL-BXUZGUMPSA-N 1 1 319.474 3.686 20 30 DHEDMO C=CCCCC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000247657444 341368155 /nfs/dbraw/zinc/36/81/55/341368155.db2.gz XEPWDTMAGKRYNW-YRWFTTLQSA-N 1 1 314.473 3.616 20 30 DHEDMO C[C@H](N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000248401917 341376623 /nfs/dbraw/zinc/37/66/23/341376623.db2.gz MJHMJZXQVUUCMM-BXWFABGCSA-N 1 1 311.473 3.862 20 30 DHEDMO C[C@H](N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000248401917 341376624 /nfs/dbraw/zinc/37/66/24/341376624.db2.gz MJHMJZXQVUUCMM-BXWFABGCSA-N 1 1 311.473 3.862 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000552197917 341377788 /nfs/dbraw/zinc/37/77/88/341377788.db2.gz CBYLXNUXPNUTRM-KRWDZBQOSA-N 1 1 310.372 3.566 20 30 DHEDMO CC[N@@H+](C[C@H](O)CCc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000248540025 341379539 /nfs/dbraw/zinc/37/95/39/341379539.db2.gz AZRGAGNNVZTVFM-DYESRHJHSA-N 1 1 322.452 3.935 20 30 DHEDMO Cc1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1Br ZINC000272494815 341628710 /nfs/dbraw/zinc/62/87/10/341628710.db2.gz FUKATSATIIZIBV-UHFFFAOYSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1csc(C2([NH2+]Cc3cc(C#N)cs3)CCCC2)n1 ZINC000177699905 341924243 /nfs/dbraw/zinc/92/42/43/341924243.db2.gz XDAUPGSIJDKMJE-UHFFFAOYSA-N 1 1 303.456 3.944 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1C#N ZINC000103141757 519654003 /nfs/dbraw/zinc/65/40/03/519654003.db2.gz YRZMOSQSFXPUGP-UHFFFAOYSA-N 1 1 307.372 3.980 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1C#N ZINC000103141757 519654006 /nfs/dbraw/zinc/65/40/06/519654006.db2.gz YRZMOSQSFXPUGP-UHFFFAOYSA-N 1 1 307.372 3.980 20 30 DHEDMO CC(C)C[N@H+](Cc1nnc(C(C)C)o1)Cc1ccc(C#N)cc1 ZINC000339292975 519719057 /nfs/dbraw/zinc/71/90/57/519719057.db2.gz HNKJNKWDMYDEPU-UHFFFAOYSA-N 1 1 312.417 3.723 20 30 DHEDMO CC(C)C[N@@H+](Cc1nnc(C(C)C)o1)Cc1ccc(C#N)cc1 ZINC000339292975 519719059 /nfs/dbraw/zinc/71/90/59/519719059.db2.gz HNKJNKWDMYDEPU-UHFFFAOYSA-N 1 1 312.417 3.723 20 30 DHEDMO C[NH+](C)Cc1cc(NC(=O)c2cc(C#N)cs2)ccc1Cl ZINC000337248323 521892834 /nfs/dbraw/zinc/89/28/34/521892834.db2.gz KXXTVRCIHICPSJ-UHFFFAOYSA-N 1 1 319.817 3.587 20 30 DHEDMO COC[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000265784497 522844979 /nfs/dbraw/zinc/84/49/79/522844979.db2.gz LDNCQURWAFXELS-KRWDZBQOSA-N 1 1 306.409 3.694 20 30 DHEDMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H]1CCOC1 ZINC000178768830 523195853 /nfs/dbraw/zinc/19/58/53/523195853.db2.gz RLVPDLHXUQCWOC-KRWDZBQOSA-N 1 1 306.409 3.694 20 30 DHEDMO CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000247190800 523255229 /nfs/dbraw/zinc/25/52/29/523255229.db2.gz SMHDZWHLHGRXPY-UKRRQHHQSA-N 1 1 317.433 3.607 20 30 DHEDMO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000247190800 523255239 /nfs/dbraw/zinc/25/52/39/523255239.db2.gz SMHDZWHLHGRXPY-UKRRQHHQSA-N 1 1 317.433 3.607 20 30 DHEDMO COCC[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)Cc1ccc(C#N)cc1 ZINC000339317264 523750284 /nfs/dbraw/zinc/75/02/84/523750284.db2.gz MKNAJAGOXONGNV-DNVCBOLYSA-N 1 1 324.424 3.923 20 30 DHEDMO COCC[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)Cc1ccc(C#N)cc1 ZINC000339317264 523750292 /nfs/dbraw/zinc/75/02/92/523750292.db2.gz MKNAJAGOXONGNV-DNVCBOLYSA-N 1 1 324.424 3.923 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000189347610 524010106 /nfs/dbraw/zinc/01/01/06/524010106.db2.gz BESOLBUWVRMXFI-AWEZNQCLSA-N 1 1 310.397 3.768 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)CCS1 ZINC000368908169 524517001 /nfs/dbraw/zinc/51/70/01/524517001.db2.gz XVCOQWZMVCBRHH-CYBMUJFWSA-N 1 1 313.426 3.541 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1cccc(C#N)c1 ZINC000181755641 525442525 /nfs/dbraw/zinc/44/25/25/525442525.db2.gz DTZSKDUYFUKZMS-AWEZNQCLSA-N 1 1 311.404 3.610 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1cccc(N2CCCC2=O)c1 ZINC000161035411 525539079 /nfs/dbraw/zinc/53/90/79/525539079.db2.gz CNGOQGOVNXKMHZ-OAHLLOKOSA-N 1 1 319.408 3.536 20 30 DHEDMO C[C@H](Nc1ncc(C#N)cc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182816720 525680736 /nfs/dbraw/zinc/68/07/36/525680736.db2.gz DUWGWRFJMAINFO-GXTWGEPZSA-N 1 1 318.852 3.672 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000338333009 526036744 /nfs/dbraw/zinc/03/67/44/526036744.db2.gz OKXNYPSSZYIVHL-UWJYYQICSA-N 1 1 320.436 3.645 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(c3ncccc3Cl)CC2)o1 ZINC000372963351 526611801 /nfs/dbraw/zinc/61/18/01/526611801.db2.gz DNMKPWWMSUAZJL-UHFFFAOYSA-N 1 1 301.777 3.579 20 30 DHEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000158291216 526640329 /nfs/dbraw/zinc/64/03/29/526640329.db2.gz ASMVKQWYRPAKLM-UHFFFAOYSA-N 1 1 324.399 3.879 20 30 DHEDMO N#Cc1cccc(C[NH2+]Cc2cscc2Br)c1 ZINC000306119076 526709859 /nfs/dbraw/zinc/70/98/59/526709859.db2.gz YKIZTGCJMUHDCZ-UHFFFAOYSA-N 1 1 307.216 3.672 20 30 DHEDMO CCS[C@H]1CCCC[N@@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000340196139 535724863 /nfs/dbraw/zinc/72/48/63/535724863.db2.gz WOYDPWXWRTYNDZ-INIZCTEOSA-N 1 1 304.459 3.674 20 30 DHEDMO C=CCCCC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001209200048 1013081541 /nfs/dbraw/zinc/08/15/41/1013081541.db2.gz FTHRSTQUJKFHRR-CVEARBPZSA-N 1 1 308.466 3.674 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)CC1(Br)CC1 ZINC000846780588 1032065712 /nfs/dbraw/zinc/06/57/12/1032065712.db2.gz MMSODLPZRYFWLR-UHFFFAOYSA-N 1 1 310.235 3.611 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)CC1(Br)CC1 ZINC000846780588 1032065725 /nfs/dbraw/zinc/06/57/25/1032065725.db2.gz MMSODLPZRYFWLR-UHFFFAOYSA-N 1 1 310.235 3.611 20 30 DHEDMO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000931189815 1032066213 /nfs/dbraw/zinc/06/62/13/1032066213.db2.gz IPZYXMARZQSMMD-JKSUJKDBSA-N 1 1 320.502 3.679 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)c1O ZINC000777968081 1032066551 /nfs/dbraw/zinc/06/65/51/1032066551.db2.gz MBCPFKVYEQUEGV-GUYCJALGSA-N 1 1 307.409 3.699 20 30 DHEDMO Clc1ccccc1C#CC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC001167108041 1013147927 /nfs/dbraw/zinc/14/79/27/1013147927.db2.gz LQGKJWPVFRVIES-UHFFFAOYSA-N 1 1 324.855 3.904 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCCN(c2ccccc2)CC1 ZINC001167108041 1013147933 /nfs/dbraw/zinc/14/79/33/1013147933.db2.gz LQGKJWPVFRVIES-UHFFFAOYSA-N 1 1 324.855 3.904 20 30 DHEDMO CCCC[N@H+](CCC#N)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173072266 1033527681 /nfs/dbraw/zinc/52/76/81/1033527681.db2.gz UKTTXLCHABSIJG-JKSUJKDBSA-N 1 1 323.481 3.790 20 30 DHEDMO CCCC[N@@H+](CCC#N)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173072266 1033527694 /nfs/dbraw/zinc/52/76/94/1033527694.db2.gz UKTTXLCHABSIJG-JKSUJKDBSA-N 1 1 323.481 3.790 20 30 DHEDMO CCCC[N@H+](CCC#N)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173072263 1033529805 /nfs/dbraw/zinc/52/98/05/1033529805.db2.gz UKTTXLCHABSIJG-CVEARBPZSA-N 1 1 323.481 3.790 20 30 DHEDMO CCCC[N@@H+](CCC#N)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173072263 1033529814 /nfs/dbraw/zinc/52/98/14/1033529814.db2.gz UKTTXLCHABSIJG-CVEARBPZSA-N 1 1 323.481 3.790 20 30 DHEDMO CC[N@@H+](CCC#N)[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173083216 1033534287 /nfs/dbraw/zinc/53/42/87/1033534287.db2.gz OAQGVONSSMGFPW-GFCCVEGCSA-N 1 1 300.324 3.752 20 30 DHEDMO C#CC[N@H+](CCOc1cccc(OC)c1)[C@@H]1CCc2ccccc21 ZINC001167179120 1013362553 /nfs/dbraw/zinc/36/25/53/1013362553.db2.gz WFBQFAOFIAXJBB-OAQYLSRUSA-N 1 1 321.420 3.697 20 30 DHEDMO Cc1nc(N2CCC[C@@H](CC#N)C2)cc(Nc2ccccc2)[nH+]1 ZINC000894486960 1013385162 /nfs/dbraw/zinc/38/51/62/1013385162.db2.gz NKVBQOPHHVRVLZ-HNNXBMFYSA-N 1 1 307.401 3.659 20 30 DHEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001204468091 1013407865 /nfs/dbraw/zinc/40/78/65/1013407865.db2.gz DXHMQYPFYCVUCO-NSHDSACASA-N 1 1 300.299 3.970 20 30 DHEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC001204468091 1013407870 /nfs/dbraw/zinc/40/78/70/1013407870.db2.gz DXHMQYPFYCVUCO-NSHDSACASA-N 1 1 300.299 3.970 20 30 DHEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)C[C@@H](O)CC1(C#N)CCC1 ZINC001167255740 1013452078 /nfs/dbraw/zinc/45/20/78/1013452078.db2.gz LZEALHWNPQGVFE-ROUUACIJSA-N 1 1 300.446 3.904 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121309320 1013525254 /nfs/dbraw/zinc/52/52/54/1013525254.db2.gz FTEAXPOJOMBKSN-SFHVURJKSA-N 1 1 306.400 3.582 20 30 DHEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1cccc(C(F)(F)F)c1 ZINC000610271074 1013551970 /nfs/dbraw/zinc/55/19/70/1013551970.db2.gz PQMBVRQHJADDCM-OAHLLOKOSA-N 1 1 324.302 3.647 20 30 DHEDMO CC[N@H+](Cc1cccs1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000574456274 1013623815 /nfs/dbraw/zinc/62/38/15/1013623815.db2.gz HFWYKHRKYFYOPR-UHFFFAOYSA-N 1 1 301.371 3.550 20 30 DHEDMO CC[N@@H+](Cc1cccs1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000574456274 1013623819 /nfs/dbraw/zinc/62/38/19/1013623819.db2.gz HFWYKHRKYFYOPR-UHFFFAOYSA-N 1 1 301.371 3.550 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1CC#N ZINC000520251582 1013690344 /nfs/dbraw/zinc/69/03/44/1013690344.db2.gz GTQHQYSZEWHDRC-ZDUSSCGKSA-N 1 1 319.836 3.609 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](CC)CC1CC1 ZINC000112983005 1013770429 /nfs/dbraw/zinc/77/04/29/1013770429.db2.gz PTKAZXRLFWZYOT-UHFFFAOYSA-N 1 1 304.459 3.635 20 30 DHEDMO C[C@H]1CCC[N@@H+](CCCCNc2ccc(Cl)c(C#N)n2)C1 ZINC000067368048 1013779845 /nfs/dbraw/zinc/77/98/45/1013779845.db2.gz CLUBDLZGGFGQPP-ZDUSSCGKSA-N 1 1 306.841 3.531 20 30 DHEDMO CC(C)(C)C1=CC[N@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000328894749 1013803720 /nfs/dbraw/zinc/80/37/20/1013803720.db2.gz VTYBUPRXJKDZQQ-UHFFFAOYSA-N 1 1 303.450 3.848 20 30 DHEDMO CC(C)(C)C1=CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000328894749 1013803728 /nfs/dbraw/zinc/80/37/28/1013803728.db2.gz VTYBUPRXJKDZQQ-UHFFFAOYSA-N 1 1 303.450 3.848 20 30 DHEDMO Cc1noc(C(C)C)c1C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000330393537 1013814511 /nfs/dbraw/zinc/81/45/11/1013814511.db2.gz KQFRYZHKZXURNQ-OLZOCXBDSA-N 1 1 307.438 3.531 20 30 DHEDMO C=CCCCCCNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000579974862 1013826627 /nfs/dbraw/zinc/82/66/27/1013826627.db2.gz AULGTSWSKITITJ-IRXDYDNUSA-N 1 1 321.509 3.685 20 30 DHEDMO CC(C)(CC[N@H+]1CCCN(c2ccccc2C#N)CC1)C1CC1 ZINC001167318170 1013829907 /nfs/dbraw/zinc/82/99/07/1013829907.db2.gz DUYMVVBHCKGAJQ-UHFFFAOYSA-N 1 1 311.473 3.897 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+](CCCCO)C2CC2)cc1 ZINC000118844298 1013835868 /nfs/dbraw/zinc/83/58/68/1013835868.db2.gz ZCWYIUPAONUNHO-UHFFFAOYSA-N 1 1 320.436 3.962 20 30 DHEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2sccc2C#N)CCCC1(C)C ZINC000331311643 1013873254 /nfs/dbraw/zinc/87/32/54/1013873254.db2.gz ZTWJYEWIQSMZHE-AWEZNQCLSA-N 1 1 317.458 3.625 20 30 DHEDMO C=CC[C@@H]1[N@H+](CC(=O)Nc2sccc2C#N)CCCC1(C)C ZINC000331311643 1013873261 /nfs/dbraw/zinc/87/32/61/1013873261.db2.gz ZTWJYEWIQSMZHE-AWEZNQCLSA-N 1 1 317.458 3.625 20 30 DHEDMO CC[NH+](CC)Cc1ccccc1CNCc1cc(C#N)cs1 ZINC000177682217 1013962961 /nfs/dbraw/zinc/96/29/61/1013962961.db2.gz PQLJHISRGBPOBW-UHFFFAOYSA-N 1 1 313.470 3.751 20 30 DHEDMO N#Cc1ccccc1Nc1c[nH+]c2ccc(Br)cn12 ZINC001210736402 1014009298 /nfs/dbraw/zinc/00/92/98/1014009298.db2.gz KBYBOIPSVCJVMV-UHFFFAOYSA-N 1 1 313.158 3.712 20 30 DHEDMO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1C2CCCC1CCC2 ZINC000610394978 1014051924 /nfs/dbraw/zinc/05/19/24/1014051924.db2.gz GHDUWRQQZZIUCB-UHFFFAOYSA-N 1 1 317.820 3.557 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000683889867 1014094317 /nfs/dbraw/zinc/09/43/17/1014094317.db2.gz RYTBPXYDZJFBDQ-WMLDXEAASA-N 1 1 302.393 3.803 20 30 DHEDMO C=CCCCC[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001167386213 1014104585 /nfs/dbraw/zinc/10/45/85/1014104585.db2.gz BMCKHKSVSAHZKK-MRXNPFEDSA-N 1 1 306.837 3.733 20 30 DHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C)cc1 ZINC000726971226 1014231681 /nfs/dbraw/zinc/23/16/81/1014231681.db2.gz CLYFMGOQCFGKIT-MRXNPFEDSA-N 1 1 315.461 3.608 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccn1)Cc1ccccc1C ZINC000565775790 1014325878 /nfs/dbraw/zinc/32/58/78/1014325878.db2.gz ABEYHUPGMQJHTE-HXUWFJFHSA-N 1 1 310.441 3.719 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]2CCCC[C@H]21 ZINC000248420346 1014333436 /nfs/dbraw/zinc/33/34/36/1014333436.db2.gz LSRKWEHFTWTSTQ-XOKHGSTOSA-N 1 1 322.412 3.619 20 30 DHEDMO CC[N@@H+](Cc1ccc2c(c1)OCCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000126082709 1014469469 /nfs/dbraw/zinc/46/94/69/1014469469.db2.gz CBGGZJGXBLCQTQ-OAHLLOKOSA-N 1 1 322.408 3.913 20 30 DHEDMO C[N@@H+]1CC[C@@H](NCC#Cc2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000581026319 1014518885 /nfs/dbraw/zinc/51/88/85/1014518885.db2.gz XVONKYGMAYADQS-WOJBJXKFSA-N 1 1 324.855 3.727 20 30 DHEDMO C[N@H+]1CC[C@@H](NCC#Cc2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000581026319 1014518893 /nfs/dbraw/zinc/51/88/93/1014518893.db2.gz XVONKYGMAYADQS-WOJBJXKFSA-N 1 1 324.855 3.727 20 30 DHEDMO N#CC1(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCC1 ZINC000895133849 1014524225 /nfs/dbraw/zinc/52/42/25/1014524225.db2.gz QUPXSJIYGHUDFX-ZCNNSNEGSA-N 1 1 323.484 3.713 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCC[C@H](C3CCOCC3)C2)CCC1 ZINC000933087950 1014561055 /nfs/dbraw/zinc/56/10/55/1014561055.db2.gz JHUAWGNKSWJCGZ-SFHVURJKSA-N 1 1 304.478 3.989 20 30 DHEDMO C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000520805375 1014592877 /nfs/dbraw/zinc/59/28/77/1014592877.db2.gz ZUSCNCDWUUHOJG-CABCVRRESA-N 1 1 308.466 3.616 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](CC3CCC(C#N)CC3)C2)cc1F ZINC000931335341 1032099964 /nfs/dbraw/zinc/09/99/64/1032099964.db2.gz VRCVHPOKSNXJHL-VMBOVVBDSA-N 1 1 316.420 3.954 20 30 DHEDMO C=CC[N@H+](CC(=O)c1cc(C)n(Cc2ccco2)c1C)C(C)C ZINC000754640339 1014671069 /nfs/dbraw/zinc/67/10/69/1014671069.db2.gz NFPGVCHIVWGIDS-UHFFFAOYSA-N 1 1 314.429 3.825 20 30 DHEDMO C=CC[N@@H+](CC(=O)c1cc(C)n(Cc2ccco2)c1C)C(C)C ZINC000754640339 1014671075 /nfs/dbraw/zinc/67/10/75/1014671075.db2.gz NFPGVCHIVWGIDS-UHFFFAOYSA-N 1 1 314.429 3.825 20 30 DHEDMO Cc1csc(C[C@@H]2CC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)n1 ZINC000933132056 1014688591 /nfs/dbraw/zinc/68/85/91/1014688591.db2.gz YSSICRFMGFZVQU-ZBFHGGJFSA-N 1 1 311.454 3.949 20 30 DHEDMO COc1ccc(NN=Cc2[nH+]c(C)n3ccccc23)cc1Cl ZINC000782231111 1014722848 /nfs/dbraw/zinc/72/28/48/1014722848.db2.gz RUVSELWRTVHANC-UHFFFAOYSA-N 1 1 314.776 3.751 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C#N)c(OC)c1 ZINC000442810522 1014741011 /nfs/dbraw/zinc/74/10/11/1014741011.db2.gz NNJSLUNOKCRYDB-UHFFFAOYSA-N 1 1 317.392 3.627 20 30 DHEDMO Cc1ccccc1C[N@@H+](CCOc1ccc(C#N)cc1)C1CC1 ZINC000521814376 1014799919 /nfs/dbraw/zinc/79/99/19/1014799919.db2.gz YECFSBQZMUUSDN-UHFFFAOYSA-N 1 1 306.409 3.910 20 30 DHEDMO CC[C@H](C)C[N@@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000341020106 1014819591 /nfs/dbraw/zinc/81/95/91/1014819591.db2.gz UYKJAXQGMLCBGV-HNNXBMFYSA-N 1 1 315.461 3.528 20 30 DHEDMO C=CCCCC[NH+]1CCN(C(=O)c2cc3occc3s2)CC1 ZINC001167461490 1014841640 /nfs/dbraw/zinc/84/16/40/1014841640.db2.gz KFSHZSZTVFFKHH-UHFFFAOYSA-N 1 1 318.442 3.608 20 30 DHEDMO C=CCC[N@H+](C)Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000276204292 1014844249 /nfs/dbraw/zinc/84/42/49/1014844249.db2.gz ZEORWNSOOCRDAH-UHFFFAOYSA-N 1 1 312.413 3.677 20 30 DHEDMO C=CCCCCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000474079290 1014955327 /nfs/dbraw/zinc/95/53/27/1014955327.db2.gz JZZCGRCYKLRWJG-UHFFFAOYSA-N 1 1 321.509 3.640 20 30 DHEDMO CCC[C@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000341222950 1015029066 /nfs/dbraw/zinc/02/90/66/1015029066.db2.gz FQSCHSGRUQMBKL-AWEZNQCLSA-N 1 1 321.852 3.707 20 30 DHEDMO C=CCOc1ccc(C[NH+]2CC(CC(F)(F)F)C2)cc1OC ZINC000656685961 1015067367 /nfs/dbraw/zinc/06/73/67/1015067367.db2.gz HAYGEPYLNBTMQU-UHFFFAOYSA-N 1 1 315.335 3.644 20 30 DHEDMO C=C(C)COc1cc(C[NH+]2CC3(CC(F)C3)C2)ccc1OC ZINC000656694263 1015077764 /nfs/dbraw/zinc/07/77/64/1015077764.db2.gz NYRIFVRZUQIPTM-UHFFFAOYSA-N 1 1 305.393 3.584 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000474149295 1015107232 /nfs/dbraw/zinc/10/72/32/1015107232.db2.gz BBIPVJNRONKBFT-LZLYRXPVSA-N 1 1 320.864 3.804 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000474149295 1015107243 /nfs/dbraw/zinc/10/72/43/1015107243.db2.gz BBIPVJNRONKBFT-LZLYRXPVSA-N 1 1 320.864 3.804 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](CN[C@H](C)c1cnc(C)s1)C(C)C ZINC000090402445 1015178257 /nfs/dbraw/zinc/17/82/57/1015178257.db2.gz MGOOLGWXIJVJOS-GDBMZVCRSA-N 1 1 307.507 3.801 20 30 DHEDMO CCCC[N@@H+](CC)Cc1cccc(CNc2nccnc2C#N)c1 ZINC000178098543 1015182612 /nfs/dbraw/zinc/18/26/12/1015182612.db2.gz GEDABLVEZDOFQV-UHFFFAOYSA-N 1 1 323.444 3.582 20 30 DHEDMO C=CCN(CC[N@H+]1CCC[C@@H]2CCC[C@H]21)C(=O)OC(C)(C)C ZINC001207203644 1015183927 /nfs/dbraw/zinc/18/39/27/1015183927.db2.gz LDLGGKLZWXYAQA-JKSUJKDBSA-N 1 1 308.466 3.674 20 30 DHEDMO N#Cc1cccc(OCCC[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000477290066 1015185624 /nfs/dbraw/zinc/18/56/24/1015185624.db2.gz BXTJCYRHIVQYFY-GOSISDBHSA-N 1 1 324.399 3.956 20 30 DHEDMO CC(C)[N@@H+](Cc1cccs1)Cc1cnc2ccc(C#N)cn12 ZINC000350315745 1015231959 /nfs/dbraw/zinc/23/19/59/1015231959.db2.gz VDSAIEJVEOKGPN-UHFFFAOYSA-N 1 1 310.426 3.678 20 30 DHEDMO C=CC[NH+](CC=C)Cc1ccc(Br)cc1NC(C)=O ZINC000891449189 1015232736 /nfs/dbraw/zinc/23/27/36/1015232736.db2.gz NVAOLFHKTGHFLE-UHFFFAOYSA-N 1 1 323.234 3.582 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(OC)c(OC)c1O ZINC000891510287 1015338920 /nfs/dbraw/zinc/33/89/20/1015338920.db2.gz SELKDLXBGKNTNF-UHFFFAOYSA-N 1 1 319.426 3.659 20 30 DHEDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC001266830899 1015413505 /nfs/dbraw/zinc/41/35/05/1015413505.db2.gz RJKDCVUJBPIMII-ZDUSSCGKSA-N 1 1 319.474 3.729 20 30 DHEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC001266830899 1015413509 /nfs/dbraw/zinc/41/35/09/1015413509.db2.gz RJKDCVUJBPIMII-ZDUSSCGKSA-N 1 1 319.474 3.729 20 30 DHEDMO N#Cc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001141897273 1015622234 /nfs/dbraw/zinc/62/22/34/1015622234.db2.gz LYCGHOLXQMRORB-GXTWGEPZSA-N 1 1 319.246 3.943 20 30 DHEDMO N#Cc1ccc(Br)cc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001141897273 1015622242 /nfs/dbraw/zinc/62/22/42/1015622242.db2.gz LYCGHOLXQMRORB-GXTWGEPZSA-N 1 1 319.246 3.943 20 30 DHEDMO COC[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000610615489 1015670018 /nfs/dbraw/zinc/67/00/18/1015670018.db2.gz GSDMISOXJJJVAJ-LJQANCHMSA-N 1 1 306.409 3.836 20 30 DHEDMO N#CCCCOc1cccc(C[NH2+]Cc2c(O)cccc2F)c1 ZINC000896639705 1015693375 /nfs/dbraw/zinc/69/33/75/1015693375.db2.gz DTDLIYWSGYKZSZ-UHFFFAOYSA-N 1 1 314.360 3.504 20 30 DHEDMO N#CCCCC[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000610729035 1015751278 /nfs/dbraw/zinc/75/12/78/1015751278.db2.gz BYBABNKWVBOBDA-UHFFFAOYSA-N 1 1 311.198 3.640 20 30 DHEDMO N#CCCCC[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000610729035 1015751280 /nfs/dbraw/zinc/75/12/80/1015751280.db2.gz BYBABNKWVBOBDA-UHFFFAOYSA-N 1 1 311.198 3.640 20 30 DHEDMO C=CCc1cc(C[NH+]2CC(C)(C)OC(C)(C)C2)cc(OC)c1O ZINC000443861715 1015774600 /nfs/dbraw/zinc/77/46/00/1015774600.db2.gz XJUVBTVGMKALEI-UHFFFAOYSA-N 1 1 319.445 3.519 20 30 DHEDMO CC[N@H+](Cc1cccs1)Cc1ccc(C#N)c(SC)n1 ZINC001141944021 1015790692 /nfs/dbraw/zinc/79/06/92/1015790692.db2.gz UMYLHNKWPHPNCO-UHFFFAOYSA-N 1 1 303.456 3.759 20 30 DHEDMO CC[N@@H+](Cc1cccs1)Cc1ccc(C#N)c(SC)n1 ZINC001141944021 1015790697 /nfs/dbraw/zinc/79/06/97/1015790697.db2.gz UMYLHNKWPHPNCO-UHFFFAOYSA-N 1 1 303.456 3.759 20 30 DHEDMO COc1nc2ccccc2cc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000535785908 1015824160 /nfs/dbraw/zinc/82/41/60/1015824160.db2.gz QAPPZNFLHOSLLF-UHFFFAOYSA-N 1 1 317.392 3.747 20 30 DHEDMO COc1nc2ccccc2cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000535785908 1015824165 /nfs/dbraw/zinc/82/41/65/1015824165.db2.gz QAPPZNFLHOSLLF-UHFFFAOYSA-N 1 1 317.392 3.747 20 30 DHEDMO CC(C)CC[C@@H]1CCCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000535813577 1015833800 /nfs/dbraw/zinc/83/38/00/1015833800.db2.gz XZLUQAKTAWNPFQ-KRWDZBQOSA-N 1 1 310.445 3.997 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](c3nccs3)C2)ccc1F ZINC000119429525 1015883174 /nfs/dbraw/zinc/88/31/74/1015883174.db2.gz PHCDYIHQNOUSAF-CYBMUJFWSA-N 1 1 301.390 3.533 20 30 DHEDMO COc1ccc(C[N@@H+]2CCOc3ccccc3[C@@H]2C)cc1C#N ZINC000610993634 1015998899 /nfs/dbraw/zinc/99/88/99/1015998899.db2.gz XPUUNBCTUZVJPW-AWEZNQCLSA-N 1 1 308.381 3.522 20 30 DHEDMO COc1ccc(C[N@H+]2CCOc3ccccc3[C@@H]2C)cc1C#N ZINC000610993634 1015998907 /nfs/dbraw/zinc/99/89/07/1015998907.db2.gz XPUUNBCTUZVJPW-AWEZNQCLSA-N 1 1 308.381 3.522 20 30 DHEDMO C=CCOC1CCC([N@@H+](C)CCC(=O)c2ccccc2)CC1 ZINC001173327505 1033688326 /nfs/dbraw/zinc/68/83/26/1033688326.db2.gz NHTVYEBMBOATJS-UHFFFAOYSA-N 1 1 301.430 3.705 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)cc1 ZINC000119475835 1016096883 /nfs/dbraw/zinc/09/68/83/1016096883.db2.gz ITODLIKKCKPXCP-INIZCTEOSA-N 1 1 310.372 3.695 20 30 DHEDMO C=CC[N@H+](CC/C=C/CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000342244337 1016174837 /nfs/dbraw/zinc/17/48/37/1016174837.db2.gz IXANPFKWRYOIIA-FYCOFBDGSA-N 1 1 311.433 3.568 20 30 DHEDMO C=CCOC1CCC([NH2+]C2(c3ccccc3Cl)COC2)CC1 ZINC001173316841 1033709015 /nfs/dbraw/zinc/70/90/15/1033709015.db2.gz NPLVCFTWSJKMAM-UHFFFAOYSA-N 1 1 321.848 3.669 20 30 DHEDMO CC[N@H+](Cc1ccccn1)Cc1ccc(C#N)cc1OC(F)F ZINC000342377440 1016321128 /nfs/dbraw/zinc/32/11/28/1016321128.db2.gz PUKJANATAFBUKU-UHFFFAOYSA-N 1 1 317.339 3.577 20 30 DHEDMO CC[N@@H+](Cc1ccccn1)Cc1ccc(C#N)cc1OC(F)F ZINC000342377440 1016321138 /nfs/dbraw/zinc/32/11/38/1016321138.db2.gz PUKJANATAFBUKU-UHFFFAOYSA-N 1 1 317.339 3.577 20 30 DHEDMO CCc1nn(C)c(CC)c1C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000119884701 1016410896 /nfs/dbraw/zinc/41/08/96/1016410896.db2.gz DFMZIQNVJXMNIF-OAHLLOKOSA-N 1 1 324.472 4.000 20 30 DHEDMO C#CC1CC[NH+](Cc2cc(F)c(C)c(Br)c2)CC1 ZINC001140555186 1016416983 /nfs/dbraw/zinc/41/69/83/1016416983.db2.gz WEMDGGFOOGRXAJ-UHFFFAOYSA-N 1 1 310.210 3.742 20 30 DHEDMO CCC[N@@H+](CC(=O)N(CC)CCC#N)[C@@H](CC)c1ccccc1 ZINC000346595998 1016459871 /nfs/dbraw/zinc/45/98/71/1016459871.db2.gz SMTQLTYBEQKBQP-SFHVURJKSA-N 1 1 315.461 3.612 20 30 DHEDMO CCC[N@@H+](CC(=O)N(CC)CCC#N)[C@H](CC)c1ccccc1 ZINC000346595996 1016460041 /nfs/dbraw/zinc/46/00/41/1016460041.db2.gz SMTQLTYBEQKBQP-GOSISDBHSA-N 1 1 315.461 3.612 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cs1 ZINC000892216558 1016472157 /nfs/dbraw/zinc/47/21/57/1016472157.db2.gz NNCVXJJJPYSVGU-ZFWWWQNUSA-N 1 1 318.467 3.769 20 30 DHEDMO CC1(C#N)CC[NH+](Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001143442119 1016478374 /nfs/dbraw/zinc/47/83/74/1016478374.db2.gz DRLQSJDOMAJSNA-UHFFFAOYSA-N 1 1 316.298 3.850 20 30 DHEDMO C=CCSCC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000346654638 1016495968 /nfs/dbraw/zinc/49/59/68/1016495968.db2.gz UCEDQNWATUUPEN-KRWDZBQOSA-N 1 1 320.408 3.958 20 30 DHEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1C)Cc1ccc(F)cc1 ZINC000072583082 1016626737 /nfs/dbraw/zinc/62/67/37/1016626737.db2.gz FWECDUJDBSLTJB-UHFFFAOYSA-N 1 1 324.399 3.598 20 30 DHEDMO Cc1nc2ccc(NC(=O)c3ccc(C4(C#N)CC4)cc3)cc2[nH]1 ZINC000346916124 1016637367 /nfs/dbraw/zinc/63/73/67/1016637367.db2.gz HCBNFFIOOVDCNC-UHFFFAOYSA-N 1 1 316.364 3.679 20 30 DHEDMO Cc1c(F)cccc1NC(=O)CC[N@@H+](CCC#N)CC(C)(C)C ZINC000444077978 1016662192 /nfs/dbraw/zinc/66/21/92/1016662192.db2.gz CKPBYYWERQXTKE-UHFFFAOYSA-N 1 1 319.424 3.725 20 30 DHEDMO CO[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000281754767 1016703035 /nfs/dbraw/zinc/70/30/35/1016703035.db2.gz REULZVDBGDULMK-CJNGLKHVSA-N 1 1 311.347 3.556 20 30 DHEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000934473487 1016772355 /nfs/dbraw/zinc/77/23/55/1016772355.db2.gz YRTKYBWFHJMZLF-CYBMUJFWSA-N 1 1 314.351 3.500 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000934473487 1016772364 /nfs/dbraw/zinc/77/23/64/1016772364.db2.gz YRTKYBWFHJMZLF-CYBMUJFWSA-N 1 1 314.351 3.500 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000158991124 1016844095 /nfs/dbraw/zinc/84/40/95/1016844095.db2.gz FEYVRYSOWGTPGR-UHFFFAOYSA-N 1 1 308.429 3.862 20 30 DHEDMO C=CCC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000132918393 1016955963 /nfs/dbraw/zinc/95/59/63/1016955963.db2.gz YTARHZYTESBTBM-UHFFFAOYSA-N 1 1 314.351 3.930 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000186176137 1017041326 /nfs/dbraw/zinc/04/13/26/1017041326.db2.gz DCGAOKWVMFIDCI-UZLBHIALSA-N 1 1 306.409 3.829 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000847017811 1032178401 /nfs/dbraw/zinc/17/84/01/1032178401.db2.gz FCPQYFLPBOACHS-INIZCTEOSA-N 1 1 310.466 3.774 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000847017811 1032178407 /nfs/dbraw/zinc/17/84/07/1032178407.db2.gz FCPQYFLPBOACHS-INIZCTEOSA-N 1 1 310.466 3.774 20 30 DHEDMO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3F)s2)C1 ZINC000847020939 1032182125 /nfs/dbraw/zinc/18/21/25/1032182125.db2.gz GTVMTVBPUWCIJF-STQMWFEESA-N 1 1 315.417 3.750 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccccc3F)s2)C1 ZINC000847020939 1032182130 /nfs/dbraw/zinc/18/21/30/1032182130.db2.gz GTVMTVBPUWCIJF-STQMWFEESA-N 1 1 315.417 3.750 20 30 DHEDMO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000847024943 1032181752 /nfs/dbraw/zinc/18/17/52/1032181752.db2.gz UPRMNASCOCAYQF-KBPBESRZSA-N 1 1 313.376 3.590 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000847024943 1032181757 /nfs/dbraw/zinc/18/17/57/1032181757.db2.gz UPRMNASCOCAYQF-KBPBESRZSA-N 1 1 313.376 3.590 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)C1 ZINC000847026211 1032184616 /nfs/dbraw/zinc/18/46/16/1032184616.db2.gz DSEALKCOUMBQQU-IXDOHACOSA-N 1 1 312.457 3.872 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[C@H](C)CC)C1 ZINC000847026211 1032184623 /nfs/dbraw/zinc/18/46/23/1032184623.db2.gz DSEALKCOUMBQQU-IXDOHACOSA-N 1 1 312.457 3.872 20 30 DHEDMO Cc1ccc(C#N)c(Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)n1 ZINC000342718262 1017079266 /nfs/dbraw/zinc/07/92/66/1017079266.db2.gz DBUZOFSNDIWPET-UHFFFAOYSA-N 1 1 303.369 3.769 20 30 DHEDMO CCC[N@@H+](CCC#N)[C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171322777 1032366477 /nfs/dbraw/zinc/36/64/77/1032366477.db2.gz TUJAAKFIGASCHD-ZDUSSCGKSA-N 1 1 306.837 3.832 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000093048967 1032521325 /nfs/dbraw/zinc/52/13/25/1032521325.db2.gz XRZWKMVBKZFGNL-OAHLLOKOSA-N 1 1 300.402 3.882 20 30 DHEDMO Cc1ccc(-c2n[nH]cc2C[N@H+](CCC#N)CC(C)(C)C)o1 ZINC000093101117 1032522823 /nfs/dbraw/zinc/52/28/23/1032522823.db2.gz SBMOYAMYYHDUTK-UHFFFAOYSA-N 1 1 300.406 3.740 20 30 DHEDMO Cc1ccc(-c2n[nH]cc2C[N@@H+](CCC#N)CC(C)(C)C)o1 ZINC000093101117 1032522825 /nfs/dbraw/zinc/52/28/25/1032522825.db2.gz SBMOYAMYYHDUTK-UHFFFAOYSA-N 1 1 300.406 3.740 20 30 DHEDMO C[C@H](CC#N)[N@H+](C)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000093090535 1032523010 /nfs/dbraw/zinc/52/30/10/1032523010.db2.gz OTQIADNBIAVIMF-GFCCVEGCSA-N 1 1 322.334 3.625 20 30 DHEDMO C[C@H](CC#N)[N@@H+](C)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000093090535 1032523016 /nfs/dbraw/zinc/52/30/16/1032523016.db2.gz OTQIADNBIAVIMF-GFCCVEGCSA-N 1 1 322.334 3.625 20 30 DHEDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000093317044 1032527907 /nfs/dbraw/zinc/52/79/07/1032527907.db2.gz ROLOMBNTEKCRJS-WMZOPIPTSA-N 1 1 316.445 3.759 20 30 DHEDMO C[N@H+](Cc1nccn1Cc1ccccc1)CC(C)(C)CCC#N ZINC000093337297 1032530702 /nfs/dbraw/zinc/53/07/02/1032530702.db2.gz MMPQEMZYULSOLH-UHFFFAOYSA-N 1 1 310.445 3.693 20 30 DHEDMO C[N@@H+](Cc1nccn1Cc1ccccc1)CC(C)(C)CCC#N ZINC000093337297 1032530706 /nfs/dbraw/zinc/53/07/06/1032530706.db2.gz MMPQEMZYULSOLH-UHFFFAOYSA-N 1 1 310.445 3.693 20 30 DHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC3(C2)CCCCC3)c1 ZINC000323788744 1017314602 /nfs/dbraw/zinc/31/46/02/1017314602.db2.gz HXCIINQGIPEDAU-UHFFFAOYSA-N 1 1 311.429 3.543 20 30 DHEDMO CC(C)c1nccnc1N=NC1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000773078075 1032550830 /nfs/dbraw/zinc/55/08/30/1032550830.db2.gz MASCKAHTPGOWOS-HNNXBMFYSA-N 1 1 323.444 3.520 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1COC2(CCCCC2)O1 ZINC001171399272 1032583351 /nfs/dbraw/zinc/58/33/51/1032583351.db2.gz CQWVNTJFJHQVNU-CRAIPNDOSA-N 1 1 314.429 3.627 20 30 DHEDMO C=CCn1cc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)nn1 ZINC000424296364 1011962956 /nfs/dbraw/zinc/96/29/56/1011962956.db2.gz OFJKNTHLPSDKRV-KRWDZBQOSA-N 1 1 316.836 3.749 20 30 DHEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000424695434 1012093923 /nfs/dbraw/zinc/09/39/23/1012093923.db2.gz XOLFDQQMGZZNKD-HOCLYGCPSA-N 1 1 320.502 3.850 20 30 DHEDMO C=C[C@](C)(CC)C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425046416 1012198956 /nfs/dbraw/zinc/19/89/56/1012198956.db2.gz UDXGHKMORGDIJT-QGZVFWFLSA-N 1 1 321.490 3.841 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCC(F)(F)C1 ZINC000513890558 1012215471 /nfs/dbraw/zinc/21/54/71/1012215471.db2.gz PASAABKLCIILME-QGZVFWFLSA-N 1 1 322.399 3.832 20 30 DHEDMO CC[N@@H+](CCCO[C@@H]1CCCCO1)[C@@H](C)c1ccc(C#N)cc1 ZINC000513897391 1012216796 /nfs/dbraw/zinc/21/67/96/1012216796.db2.gz PXSZLDRKMSCVRL-QFBILLFUSA-N 1 1 316.445 3.874 20 30 DHEDMO N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@H]3C3CCC3)n2)cc1 ZINC000728195121 1012370557 /nfs/dbraw/zinc/37/05/57/1012370557.db2.gz BPPUXBBJNVSEAK-IBGZPJMESA-N 1 1 306.413 3.644 20 30 DHEDMO COCCOc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425365579 1012492337 /nfs/dbraw/zinc/49/23/37/1012492337.db2.gz LXWQDEWRBJOKCT-INIZCTEOSA-N 1 1 324.424 3.776 20 30 DHEDMO CCN(C)c1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cn1 ZINC000425368379 1012501138 /nfs/dbraw/zinc/50/11/38/1012501138.db2.gz WKWQNRUGXDPGJN-OAHLLOKOSA-N 1 1 308.429 3.602 20 30 DHEDMO C=CC[C@H](C)C(=O)N1CC2(CC[N@@H+]2C[C@H](CC)CCCC)C1 ZINC001269960081 1012522211 /nfs/dbraw/zinc/52/22/11/1012522211.db2.gz LVPKHWCVDVIIDC-DLBZAZTESA-N 1 1 306.494 3.702 20 30 DHEDMO C=CC[C@@H](C)C(=O)N1CC2(CC[N@@H+]2C[C@@H](CC)CCCC)C1 ZINC001269960086 1012522549 /nfs/dbraw/zinc/52/25/49/1012522549.db2.gz LVPKHWCVDVIIDC-SJORKVTESA-N 1 1 306.494 3.702 20 30 DHEDMO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000425469031 1012674197 /nfs/dbraw/zinc/67/41/97/1012674197.db2.gz FCQFVWBSBZTNLX-HNNXBMFYSA-N 1 1 308.466 3.903 20 30 DHEDMO CC(C)c1[nH+]ccn1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000123542612 1032648266 /nfs/dbraw/zinc/64/82/66/1032648266.db2.gz XDFZQJPSOPSIHR-UHFFFAOYSA-N 1 1 320.396 3.758 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000579863851 1012720041 /nfs/dbraw/zinc/72/00/41/1012720041.db2.gz AYRXDUIKBKJHCK-CQSZACIVSA-N 1 1 306.372 3.748 20 30 DHEDMO COc1ccc(C(=O)CC[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425530358 1012727372 /nfs/dbraw/zinc/72/73/72/1012727372.db2.gz DYQMHUHYDUXIKI-OAHLLOKOSA-N 1 1 322.408 3.833 20 30 DHEDMO Cc1nc2ccccn2c1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425538529 1012734439 /nfs/dbraw/zinc/73/44/39/1012734439.db2.gz SCXCDSNVQHYWEZ-OAHLLOKOSA-N 1 1 304.397 3.707 20 30 DHEDMO CO[C@@H](Cc1ccccc1)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425539630 1012741202 /nfs/dbraw/zinc/74/12/02/1012741202.db2.gz UCUGVUMBWMXJGI-JXFKEZNVSA-N 1 1 308.425 3.809 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000425540907 1012741427 /nfs/dbraw/zinc/74/14/27/1012741427.db2.gz VVDFPSPAQRDKRX-AWEZNQCLSA-N 1 1 309.369 3.702 20 30 DHEDMO CCc1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425540048 1012742100 /nfs/dbraw/zinc/74/21/00/1012742100.db2.gz NTULZNQCNZFJIP-HNNXBMFYSA-N 1 1 321.424 3.752 20 30 DHEDMO CCc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425540048 1012742117 /nfs/dbraw/zinc/74/21/17/1012742117.db2.gz NTULZNQCNZFJIP-HNNXBMFYSA-N 1 1 321.424 3.752 20 30 DHEDMO COc1cccc([C@H]2CCC[N@H+]2CCc2ccc(C#N)cc2)c1 ZINC001208927474 1012829496 /nfs/dbraw/zinc/82/94/96/1012829496.db2.gz KKFSBHHUQIFSSQ-HXUWFJFHSA-N 1 1 306.409 3.946 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@H](CC)CSC)cc1OC ZINC000517059411 1012900341 /nfs/dbraw/zinc/90/03/41/1012900341.db2.gz VOQXEAKEVQUJDB-OAHLLOKOSA-N 1 1 309.475 3.833 20 30 DHEDMO CC[N@@H+](CCOc1cccc(C#N)c1)[C@@H](C)Cc1ccsc1 ZINC000425912622 1012941921 /nfs/dbraw/zinc/94/19/21/1012941921.db2.gz BAXNGEWXOOKIHF-HNNXBMFYSA-N 1 1 314.454 3.952 20 30 DHEDMO C=CCCC[N@@H+]1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001209160045 1013044287 /nfs/dbraw/zinc/04/42/87/1013044287.db2.gz AOIMRCPXTWDZGG-UHFFFAOYSA-N 1 1 313.367 3.579 20 30 DHEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCOc1ccccc1C#N ZINC001167599309 1017164192 /nfs/dbraw/zinc/16/41/92/1017164192.db2.gz SDRUFBOKOITVKZ-APWZRJJASA-N 1 1 306.409 3.815 20 30 DHEDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000342752812 1017173512 /nfs/dbraw/zinc/17/35/12/1017173512.db2.gz QAXQGXJBQWJEIM-FQEVSTJZSA-N 1 1 308.425 3.526 20 30 DHEDMO Cc1ccc(C#N)c(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000346812292 1017377445 /nfs/dbraw/zinc/37/74/45/1017377445.db2.gz BTKUJHRJZYSQBP-INIZCTEOSA-N 1 1 308.429 3.584 20 30 DHEDMO CCOC(=O)C[N@H+](CCCC(C)(C)C#N)[C@H](C)c1ccccc1 ZINC000180165797 1017385390 /nfs/dbraw/zinc/38/53/90/1017385390.db2.gz MWVSGEAGSIIPII-MRXNPFEDSA-N 1 1 316.445 3.943 20 30 DHEDMO CCOC(=O)C[N@@H+](CCCC(C)(C)C#N)[C@H](C)c1ccccc1 ZINC000180165797 1017385400 /nfs/dbraw/zinc/38/54/00/1017385400.db2.gz MWVSGEAGSIIPII-MRXNPFEDSA-N 1 1 316.445 3.943 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCCNc1c(C#N)nnc2ccccc21 ZINC000077190133 1017439874 /nfs/dbraw/zinc/43/98/74/1017439874.db2.gz OMEKQQKUXPVBNU-HNNXBMFYSA-N 1 1 323.444 3.568 20 30 DHEDMO C=CCOc1ccc(C[NH2+]C(C)(C)c2nccs2)cc1OC ZINC000116381199 1017558666 /nfs/dbraw/zinc/55/86/66/1017558666.db2.gz SJVQHYOZOKUAAZ-UHFFFAOYSA-N 1 1 318.442 3.741 20 30 DHEDMO C#CCOc1ccccc1C[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857905397 1032708903 /nfs/dbraw/zinc/70/89/03/1032708903.db2.gz FTNBAQVQJYNDPT-HNNXBMFYSA-N 1 1 312.800 3.524 20 30 DHEDMO C[C@@H]1COCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444593479 1017581163 /nfs/dbraw/zinc/58/11/63/1017581163.db2.gz RUAUGDVMMMNRLH-GOSISDBHSA-N 1 1 320.436 3.607 20 30 DHEDMO C[C@@H]1COCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444593479 1017581175 /nfs/dbraw/zinc/58/11/75/1017581175.db2.gz RUAUGDVMMMNRLH-GOSISDBHSA-N 1 1 320.436 3.607 20 30 DHEDMO C=CCCC(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000523252186 1017586522 /nfs/dbraw/zinc/58/65/22/1017586522.db2.gz AFNVZRKXBAHSLG-SJLPKXTDSA-N 1 1 300.446 3.637 20 30 DHEDMO Cc1[nH+]ccn1CCCNc1ccc(C#N)cc1C(F)(F)F ZINC000078333279 1017595388 /nfs/dbraw/zinc/59/53/88/1017595388.db2.gz JBPWIUYTTPNWQC-UHFFFAOYSA-N 1 1 308.307 3.584 20 30 DHEDMO C#CCOc1ccccc1C[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857905398 1032711087 /nfs/dbraw/zinc/71/10/87/1032711087.db2.gz FTNBAQVQJYNDPT-OAHLLOKOSA-N 1 1 312.800 3.524 20 30 DHEDMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046529881 1017621457 /nfs/dbraw/zinc/62/14/57/1017621457.db2.gz DXRMGQYAOUOWMC-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046529881 1017621464 /nfs/dbraw/zinc/62/14/64/1017621464.db2.gz DXRMGQYAOUOWMC-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccc(Br)cc1C ZINC000444713316 1017630636 /nfs/dbraw/zinc/63/06/36/1017630636.db2.gz GLFQADMAPJLPRL-OAHLLOKOSA-N 1 1 312.251 3.516 20 30 DHEDMO FC(F)(F)C[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000444692114 1017633198 /nfs/dbraw/zinc/63/31/98/1017633198.db2.gz DPFOJCVQHFVVOZ-CYBMUJFWSA-N 1 1 301.739 3.966 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2cnc3c(c2)c(C)nn3C)CCCC1(C)C ZINC000444782148 1017661407 /nfs/dbraw/zinc/66/14/07/1017661407.db2.gz HXKCTIHJLFDYMW-KRWDZBQOSA-N 1 1 312.461 3.843 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000523438534 1017699204 /nfs/dbraw/zinc/69/92/04/1017699204.db2.gz FKWCGGABCWRMGU-QGZVFWFLSA-N 1 1 302.462 3.721 20 30 DHEDMO C=CC[N@H+](CCCCCn1cc(C)cn1)Cc1cccc(C#N)c1 ZINC000523610942 1017745674 /nfs/dbraw/zinc/74/56/74/1017745674.db2.gz CKPYXYXVTAWUBP-UHFFFAOYSA-N 1 1 322.456 3.922 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000625699987 1017779055 /nfs/dbraw/zinc/77/90/55/1017779055.db2.gz GHMBSJHIVNGMKH-LBPRGKRZSA-N 1 1 303.793 3.788 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CCCC(=O)Nc2ccccc2C(C)=O)C1 ZINC000625703872 1017785160 /nfs/dbraw/zinc/78/51/60/1017785160.db2.gz UVKOBZWLKMMSTA-INIZCTEOSA-N 1 1 314.429 3.506 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181730379 1017796271 /nfs/dbraw/zinc/79/62/71/1017796271.db2.gz DKCJXVZRFZZDQQ-UHFFFAOYSA-N 1 1 321.509 3.533 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)CCc1ccccc1 ZINC000182274741 1017888825 /nfs/dbraw/zinc/88/88/25/1017888825.db2.gz BEKUATKZZMTUKP-NRFANRHFSA-N 1 1 320.436 3.540 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC001171491787 1032731766 /nfs/dbraw/zinc/73/17/66/1032731766.db2.gz ZGVUOKMHVVDCSG-MRXNPFEDSA-N 1 1 306.409 3.514 20 30 DHEDMO FC(F)(F)CC[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674462324 1018000693 /nfs/dbraw/zinc/00/06/93/1018000693.db2.gz IARMEYQKURXBRY-OLQVQODUSA-N 1 1 303.168 3.611 20 30 DHEDMO FC(F)(F)CC[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674462324 1018000702 /nfs/dbraw/zinc/00/07/02/1018000702.db2.gz IARMEYQKURXBRY-OLQVQODUSA-N 1 1 303.168 3.611 20 30 DHEDMO C=CCOc1cccc(C[N@H+](C)C[C@H](C)c2nccs2)c1 ZINC000183261776 1018008163 /nfs/dbraw/zinc/00/81/63/1018008163.db2.gz OXLHOUPPURSJMY-AWEZNQCLSA-N 1 1 302.443 3.943 20 30 DHEDMO CC[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183754676 1018040277 /nfs/dbraw/zinc/04/02/77/1018040277.db2.gz BMJWOEUBECFKRU-LJQANCHMSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@@H](C#N)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000183818102 1018045584 /nfs/dbraw/zinc/04/55/84/1018045584.db2.gz SUTHFWHMPUWOHF-AWEZNQCLSA-N 1 1 322.437 3.850 20 30 DHEDMO CCOc1cc(C[NH2+]C[C@@H](C)C#N)ccc1OCc1ccccc1 ZINC000183839958 1018045892 /nfs/dbraw/zinc/04/58/92/1018045892.db2.gz YWTNJFLJYXBWRK-INIZCTEOSA-N 1 1 324.424 3.914 20 30 DHEDMO COc1cc(C[NH2+]C[C@H](C)C#N)ccc1OCc1cccs1 ZINC000183832495 1018047035 /nfs/dbraw/zinc/04/70/35/1018047035.db2.gz FXZDTTLJFNFCSI-CYBMUJFWSA-N 1 1 316.426 3.585 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000524755350 1018083910 /nfs/dbraw/zinc/08/39/10/1018083910.db2.gz XSTCMNUDOOERHL-UHFFFAOYSA-N 1 1 320.452 3.851 20 30 DHEDMO CCC(CC)[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000524757843 1018085459 /nfs/dbraw/zinc/08/54/59/1018085459.db2.gz LNWWBKMDPDHMSQ-UHFFFAOYSA-N 1 1 310.401 3.761 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000091589164 1018100525 /nfs/dbraw/zinc/10/05/25/1018100525.db2.gz DYTYWQKLZZDJIR-GJZGRUSLSA-N 1 1 306.416 3.937 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000091589165 1018101205 /nfs/dbraw/zinc/10/12/05/1018101205.db2.gz DYTYWQKLZZDJIR-LSDHHAIUSA-N 1 1 306.416 3.937 20 30 DHEDMO C=CCCCCCN(C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000524831221 1018102822 /nfs/dbraw/zinc/10/28/22/1018102822.db2.gz RVVVHYDHPGRSCR-SJORKVTESA-N 1 1 309.498 3.637 20 30 DHEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000441032165 1018145326 /nfs/dbraw/zinc/14/53/26/1018145326.db2.gz KOQLFMVMCSADGX-YJYMSZOUSA-N 1 1 310.372 3.521 20 30 DHEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000441032165 1018145328 /nfs/dbraw/zinc/14/53/28/1018145328.db2.gz KOQLFMVMCSADGX-YJYMSZOUSA-N 1 1 310.372 3.521 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000428445125 1018158101 /nfs/dbraw/zinc/15/81/01/1018158101.db2.gz FZRACXVMQKQEBL-HXUWFJFHSA-N 1 1 322.383 3.719 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000428445125 1018158108 /nfs/dbraw/zinc/15/81/08/1018158108.db2.gz FZRACXVMQKQEBL-HXUWFJFHSA-N 1 1 322.383 3.719 20 30 DHEDMO C=C(C)[C@H]([NH2+]CC(=O)N(C(C)C)C(C)C)c1ccc(F)c(F)c1 ZINC000187780685 1018244188 /nfs/dbraw/zinc/24/41/88/1018244188.db2.gz NUQXMBOVLJMBAP-SFHVURJKSA-N 1 1 324.415 3.817 20 30 DHEDMO COCC1(C#N)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000343144064 1018249699 /nfs/dbraw/zinc/24/96/99/1018249699.db2.gz RNABGHIIJYFEDP-UHFFFAOYSA-N 1 1 315.804 3.645 20 30 DHEDMO CCCCC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)C(C)C ZINC000535979640 1018255907 /nfs/dbraw/zinc/25/59/07/1018255907.db2.gz AHSURGOQEOSTBL-UHFFFAOYSA-N 1 1 302.418 3.745 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858028339 1032752476 /nfs/dbraw/zinc/75/24/76/1032752476.db2.gz GFSUWOINJRJHBY-KRWDZBQOSA-N 1 1 313.445 3.742 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2ccc([S@](C)=O)cc2)CCCC1(C)C ZINC000446827469 1018262088 /nfs/dbraw/zinc/26/20/88/1018262088.db2.gz ONBHKXHRSCEQPN-UWJYYQICSA-N 1 1 305.487 3.991 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2ccc(-n3cncn3)cc2)CCCC1(C)C ZINC000446834974 1018264452 /nfs/dbraw/zinc/26/44/52/1018264452.db2.gz ZMVCQPVATCNKLB-GOSISDBHSA-N 1 1 310.445 3.834 20 30 DHEDMO C=C(C)c1cccc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000934873165 1018371871 /nfs/dbraw/zinc/37/18/71/1018371871.db2.gz HLOZCLVMKMKINS-INIZCTEOSA-N 1 1 313.401 3.737 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246277803 1018441590 /nfs/dbraw/zinc/44/15/90/1018441590.db2.gz ARCSQHHSPYBHFC-MOXGXCLJSA-N 1 1 309.457 3.568 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)NC[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000765148185 1018485305 /nfs/dbraw/zinc/48/53/05/1018485305.db2.gz UABNCYQLYSEMIT-KDOFPFPSSA-N 1 1 322.880 3.809 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000728569345 1018500092 /nfs/dbraw/zinc/50/00/92/1018500092.db2.gz BCYARXQWZNHWJK-WOJBJXKFSA-N 1 1 324.399 3.785 20 30 DHEDMO CC[N@@H+](Cc1ccccc1C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000343277685 1018538559 /nfs/dbraw/zinc/53/85/59/1018538559.db2.gz VGDNNFUUXGUNCH-INIZCTEOSA-N 1 1 321.424 3.716 20 30 DHEDMO CCCCCCCC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000157691331 1018679337 /nfs/dbraw/zinc/67/93/37/1018679337.db2.gz NXUZDLPCSOZINY-UHFFFAOYSA-N 1 1 317.477 3.836 20 30 DHEDMO C=C[C@@H](CC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000536129136 1018681259 /nfs/dbraw/zinc/68/12/59/1018681259.db2.gz PJGFJVXKBKJRHA-KRWDZBQOSA-N 1 1 314.473 3.679 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@](C)(O)C1CCCCC1 ZINC000329483719 1018705464 /nfs/dbraw/zinc/70/54/64/1018705464.db2.gz FHAALAAAJAAJHC-AEFFLSMTSA-N 1 1 310.482 3.539 20 30 DHEDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000109890233 1018824061 /nfs/dbraw/zinc/82/40/61/1018824061.db2.gz SZLUMHNCTBYUDM-HNNXBMFYSA-N 1 1 316.405 3.533 20 30 DHEDMO CC[C@@H](C)[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000584056091 1018907198 /nfs/dbraw/zinc/90/71/98/1018907198.db2.gz DVBLCULINIPATD-CHWSQXEVSA-N 1 1 301.390 3.865 20 30 DHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC001167674329 1019017288 /nfs/dbraw/zinc/01/72/88/1019017288.db2.gz JSYLBAFQOSYJCY-IAGOWNOFSA-N 1 1 315.461 3.793 20 30 DHEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC001167674326 1019021759 /nfs/dbraw/zinc/02/17/59/1019021759.db2.gz JSYLBAFQOSYJCY-DLBZAZTESA-N 1 1 315.461 3.793 20 30 DHEDMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075767268 1019047107 /nfs/dbraw/zinc/04/71/07/1019047107.db2.gz ZRORHCMIKWQIPN-KBPBESRZSA-N 1 1 310.401 3.619 20 30 DHEDMO C=C(C)[C@H](N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000248586476 1019055215 /nfs/dbraw/zinc/05/52/15/1019055215.db2.gz XVLHPZUKINKVHH-IAISJRAMSA-N 1 1 306.400 3.797 20 30 DHEDMO C=C(C)[C@H](N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000248586476 1019055229 /nfs/dbraw/zinc/05/52/29/1019055229.db2.gz XVLHPZUKINKVHH-IAISJRAMSA-N 1 1 306.400 3.797 20 30 DHEDMO Cc1oc(NC(=O)C[N@H+]2CCCC[C@H]2CC(C)C)c(C#N)c1C ZINC000130718500 1019054979 /nfs/dbraw/zinc/05/49/79/1019054979.db2.gz QHZHQNDKBWDOQP-HNNXBMFYSA-N 1 1 317.433 3.607 20 30 DHEDMO Cc1oc(NC(=O)C[N@@H+]2CCCC[C@H]2CC(C)C)c(C#N)c1C ZINC000130718500 1019054992 /nfs/dbraw/zinc/05/49/92/1019054992.db2.gz QHZHQNDKBWDOQP-HNNXBMFYSA-N 1 1 317.433 3.607 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+](Cc2cccs2)C(C)(C)CCC)C1=O ZINC000565129879 1019118900 /nfs/dbraw/zinc/11/89/00/1019118900.db2.gz PATPVPNVVAVAKA-MRXNPFEDSA-N 1 1 320.502 3.916 20 30 DHEDMO Cc1nccn1CCCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000161564774 1019277755 /nfs/dbraw/zinc/27/77/55/1019277755.db2.gz UUGRCMXGWQRFMP-UHFFFAOYSA-N 1 1 310.445 3.754 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3c2c(F)ccc3F)c(F)c1 ZINC000611071399 1019393832 /nfs/dbraw/zinc/39/38/32/1019393832.db2.gz LEOWQQBJCQYXIV-INIZCTEOSA-N 1 1 302.299 3.753 20 30 DHEDMO COc1ccc2c(c1)OCC[N@H+]([C@@H](C)c1ccc(C#N)cc1)C2 ZINC000338636934 1019413362 /nfs/dbraw/zinc/41/33/62/1019413362.db2.gz KQDQVHOIVOYEIW-AWEZNQCLSA-N 1 1 308.381 3.522 20 30 DHEDMO COc1ccc2c(c1)OCC[N@@H+]([C@@H](C)c1ccc(C#N)cc1)C2 ZINC000338636934 1019413373 /nfs/dbraw/zinc/41/33/73/1019413373.db2.gz KQDQVHOIVOYEIW-AWEZNQCLSA-N 1 1 308.381 3.522 20 30 DHEDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1OC ZINC000611235606 1019416619 /nfs/dbraw/zinc/41/66/19/1019416619.db2.gz VYBVVGROGUCPMU-UHFFFAOYSA-N 1 1 324.424 3.988 20 30 DHEDMO CC[N@@H+](Cc1ccc(N(C)C)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC000611256430 1019423780 /nfs/dbraw/zinc/42/37/80/1019423780.db2.gz OFTNRLBMQXAFLF-OAHLLOKOSA-N 1 1 308.429 3.602 20 30 DHEDMO CC[N@H+](Cc1cn2cccc(F)c2n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000611256228 1019424049 /nfs/dbraw/zinc/42/40/49/1019424049.db2.gz MGSSLFDMNJAVND-AWEZNQCLSA-N 1 1 322.387 3.928 20 30 DHEDMO CC[N@@H+](Cc1cn2cccc(F)c2n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000611256228 1019424052 /nfs/dbraw/zinc/42/40/52/1019424052.db2.gz MGSSLFDMNJAVND-AWEZNQCLSA-N 1 1 322.387 3.928 20 30 DHEDMO C=CC[N@@H+](Cc1cnc2ccc(Cl)nn12)Cc1ccccc1 ZINC001142996451 1019450683 /nfs/dbraw/zinc/45/06/83/1019450683.db2.gz AGBKCCCKPRYPDV-UHFFFAOYSA-N 1 1 312.804 3.571 20 30 DHEDMO C=CC[N@H+](Cc1cnc2ccc(Cl)nn12)Cc1ccccc1 ZINC001142996451 1019450689 /nfs/dbraw/zinc/45/06/89/1019450689.db2.gz AGBKCCCKPRYPDV-UHFFFAOYSA-N 1 1 312.804 3.571 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c1C#N ZINC000611347993 1019457712 /nfs/dbraw/zinc/45/77/12/1019457712.db2.gz MOSGFCBQLWHUHD-GJZGRUSLSA-N 1 1 308.429 3.673 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H](C)CC[C@@H]2C)c1C#N ZINC000611347993 1019457717 /nfs/dbraw/zinc/45/77/17/1019457717.db2.gz MOSGFCBQLWHUHD-GJZGRUSLSA-N 1 1 308.429 3.673 20 30 DHEDMO CC(C)C[NH+]1CCC(N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390745 1019466574 /nfs/dbraw/zinc/46/65/74/1019466574.db2.gz RPBQCHULZGIWLH-HXUWFJFHSA-N 1 1 311.473 3.646 20 30 DHEDMO CN(C)CC[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)C(C)(C)C ZINC000611393557 1019468800 /nfs/dbraw/zinc/46/88/00/1019468800.db2.gz WUWABRPVDHMLGU-RBUKOAKNSA-N 1 1 313.489 3.892 20 30 DHEDMO C[N@H+]1CCC[C@@H](CNc2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000091482616 1019471433 /nfs/dbraw/zinc/47/14/33/1019471433.db2.gz BBCFORIVPSRFTD-LBPRGKRZSA-N 1 1 314.820 3.514 20 30 DHEDMO C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611390342 1019473867 /nfs/dbraw/zinc/47/38/67/1019473867.db2.gz UCOCKBLTLKZDTG-UZLBHIALSA-N 1 1 311.473 3.790 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611390342 1019473870 /nfs/dbraw/zinc/47/38/70/1019473870.db2.gz UCOCKBLTLKZDTG-UZLBHIALSA-N 1 1 311.473 3.790 20 30 DHEDMO C[C@H]1CCCC[N@@H+]1CCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611390339 1019474730 /nfs/dbraw/zinc/47/47/30/1019474730.db2.gz UCOCKBLTLKZDTG-JXFKEZNVSA-N 1 1 311.473 3.790 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611390339 1019474736 /nfs/dbraw/zinc/47/47/36/1019474736.db2.gz UCOCKBLTLKZDTG-JXFKEZNVSA-N 1 1 311.473 3.790 20 30 DHEDMO N#Cc1ccc(C2=CC[N@H+](Cc3nc4c(s3)CCC4)CC2)cc1 ZINC000611417806 1019480855 /nfs/dbraw/zinc/48/08/55/1019480855.db2.gz SHOGPYSBKFIFGP-UHFFFAOYSA-N 1 1 321.449 3.793 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3nc4c(s3)CCC4)CC2)cc1 ZINC000611417806 1019480866 /nfs/dbraw/zinc/48/08/66/1019480866.db2.gz SHOGPYSBKFIFGP-UHFFFAOYSA-N 1 1 321.449 3.793 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)ccn1 ZINC000611503165 1019504480 /nfs/dbraw/zinc/50/44/80/1019504480.db2.gz HJOFMVAIUDSEDS-MRXNPFEDSA-N 1 1 309.388 3.862 20 30 DHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000611554340 1019513823 /nfs/dbraw/zinc/51/38/23/1019513823.db2.gz MCUDDCPWCAOSRA-GXFFZTMASA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)cc1F ZINC000611554340 1019513832 /nfs/dbraw/zinc/51/38/32/1019513832.db2.gz MCUDDCPWCAOSRA-GXFFZTMASA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000611554238 1019514978 /nfs/dbraw/zinc/51/49/78/1019514978.db2.gz JGMOWDNNCHFZFS-GXTWGEPZSA-N 1 1 321.346 3.974 20 30 DHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cn2ccccc2c1C#N ZINC000611554238 1019514993 /nfs/dbraw/zinc/51/49/93/1019514993.db2.gz JGMOWDNNCHFZFS-GXTWGEPZSA-N 1 1 321.346 3.974 20 30 DHEDMO CCC[N@@H+](CC)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000347508165 1019529858 /nfs/dbraw/zinc/52/98/58/1019529858.db2.gz AJYRXEQKVGTOFQ-UHFFFAOYSA-N 1 1 321.852 3.627 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1nc2ccccc2nc1C ZINC000491357179 1019533026 /nfs/dbraw/zinc/53/30/26/1019533026.db2.gz WSUNUCCHSWHTJX-UHFFFAOYSA-N 1 1 307.397 3.762 20 30 DHEDMO C[C@H]([NH2+]CC(C)(C)CC#N)c1nc(Br)ccc1F ZINC000926569741 1019559132 /nfs/dbraw/zinc/55/91/32/1019559132.db2.gz ULUWOTVERJXGET-VIFPVBQESA-N 1 1 314.202 3.574 20 30 DHEDMO C[C@@H]1C[C@H](N[C@@H](C#N)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC001171730024 1032846903 /nfs/dbraw/zinc/84/69/03/1032846903.db2.gz WUTPKHSOGFBATQ-XPGWFJOJSA-N 1 1 323.415 3.643 20 30 DHEDMO C[C@@H]1C[C@@H](N[C@H](C#N)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC001171730022 1032848276 /nfs/dbraw/zinc/84/82/76/1032848276.db2.gz WUTPKHSOGFBATQ-CDHQVMDDSA-N 1 1 323.415 3.643 20 30 DHEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)C1CCC(F)(F)CC1 ZINC000347615768 1019794951 /nfs/dbraw/zinc/79/49/51/1019794951.db2.gz KUBQNQMTSYBERA-UHFFFAOYSA-N 1 1 303.356 3.821 20 30 DHEDMO C=CCNC(=O)C[N@H+]([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000063577108 1019812143 /nfs/dbraw/zinc/81/21/43/1019812143.db2.gz NFCPHZLWWIBJAL-HNNXBMFYSA-N 1 1 308.425 3.667 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000685464033 1019848677 /nfs/dbraw/zinc/84/86/77/1019848677.db2.gz BMEYLFQOXDPCMC-PKOBYXMFSA-N 1 1 315.457 3.890 20 30 DHEDMO C#CCCCCCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000780513612 1020013895 /nfs/dbraw/zinc/01/38/95/1020013895.db2.gz UCOYGDNMRBWRQX-RBUKOAKNSA-N 1 1 318.505 3.683 20 30 DHEDMO C#CCCCCCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000780513613 1020015264 /nfs/dbraw/zinc/01/52/64/1020015264.db2.gz UCOYGDNMRBWRQX-RTBURBONSA-N 1 1 318.505 3.683 20 30 DHEDMO CSc1ccc(C[NH2+]Cc2cc(C)cnc2Cl)cc1C#N ZINC000922338983 1020019869 /nfs/dbraw/zinc/01/98/69/1020019869.db2.gz SNIHKEMZEAROLN-UHFFFAOYSA-N 1 1 317.845 3.927 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000318125785 1020027895 /nfs/dbraw/zinc/02/78/95/1020027895.db2.gz MQKWEVKPQPNTJR-NXHRZFHOSA-N 1 1 318.848 3.727 20 30 DHEDMO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC000731033004 1020057797 /nfs/dbraw/zinc/05/77/97/1020057797.db2.gz SLXBLRQJALQCBH-OAHLLOKOSA-N 1 1 300.446 3.963 20 30 DHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2OC)C1 ZINC000154153931 1020076383 /nfs/dbraw/zinc/07/63/83/1020076383.db2.gz SNBIYJSJHMAHIR-CVEARBPZSA-N 1 1 304.459 3.673 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000731211937 1020078430 /nfs/dbraw/zinc/07/84/30/1020078430.db2.gz JRFQFYXQTFAOLJ-UHFFFAOYSA-N 1 1 306.409 3.820 20 30 DHEDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000731212279 1020082023 /nfs/dbraw/zinc/08/20/23/1020082023.db2.gz CQIZFIGQCHISAG-OXJNMPFZSA-N 1 1 322.408 3.551 20 30 DHEDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000731212279 1020082030 /nfs/dbraw/zinc/08/20/30/1020082030.db2.gz CQIZFIGQCHISAG-OXJNMPFZSA-N 1 1 322.408 3.551 20 30 DHEDMO CC(C)[N@H+]1CCC[C@H](Oc2cccc(Br)c2C#N)C1 ZINC001230322976 1020090710 /nfs/dbraw/zinc/09/07/10/1020090710.db2.gz DTMKKXDQCHFHAU-LBPRGKRZSA-N 1 1 323.234 3.572 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1C ZINC000092567841 1020099204 /nfs/dbraw/zinc/09/92/04/1020099204.db2.gz JQAFDBIUGBRQSN-UHFFFAOYSA-N 1 1 312.388 3.654 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)cc1 ZINC000155254086 1020206250 /nfs/dbraw/zinc/20/62/50/1020206250.db2.gz UCZLRMNBDVHINB-MRXNPFEDSA-N 1 1 310.372 3.695 20 30 DHEDMO CC[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000732206169 1020209704 /nfs/dbraw/zinc/20/97/04/1020209704.db2.gz RMSXKMWMZORPQT-WBVHZDCISA-N 1 1 315.461 3.608 20 30 DHEDMO Cn1c(N[C@@H](CCC#N)c2ccccc2)[nH+]c2cccc(F)c21 ZINC000337033562 1032885891 /nfs/dbraw/zinc/88/58/91/1032885891.db2.gz ZZBDOFBZZVKSSK-HNNXBMFYSA-N 1 1 308.360 4.169 20 30 DHEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000125338306 1020291482 /nfs/dbraw/zinc/29/14/82/1020291482.db2.gz IJYFPJDBAAPBSY-HNNXBMFYSA-N 1 1 319.408 3.580 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000280917628 1020315546 /nfs/dbraw/zinc/31/55/46/1020315546.db2.gz GBNJRQSDYUSBOE-QXAKKESOSA-N 1 1 316.420 3.603 20 30 DHEDMO C=CCCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000338671175 1020327469 /nfs/dbraw/zinc/32/74/69/1020327469.db2.gz AEENLTDRQBLJOE-INIZCTEOSA-N 1 1 300.446 3.501 20 30 DHEDMO Cc1cc(C#N)cc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000310190191 1020337258 /nfs/dbraw/zinc/33/72/58/1020337258.db2.gz PYBGPNWYOFYGIK-SFHVURJKSA-N 1 1 320.440 3.586 20 30 DHEDMO COc1ccc([C@@H]2CCCCC[N@H+]2CCOCCC#N)cc1 ZINC000338893245 1020357009 /nfs/dbraw/zinc/35/70/09/1020357009.db2.gz WWJWLTYJHJXKMC-SFHVURJKSA-N 1 1 302.418 3.543 20 30 DHEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](CCC)CC2CCCCC2)CC1 ZINC000733256075 1020359312 /nfs/dbraw/zinc/35/93/12/1020359312.db2.gz BLPZXGUGNIWNML-IBGZPJMESA-N 1 1 318.505 3.541 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)o1 ZINC000091963148 1020405353 /nfs/dbraw/zinc/40/53/53/1020405353.db2.gz WQVFLHGVHRBXPH-RHSMWYFYSA-N 1 1 314.385 3.613 20 30 DHEDMO C=CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1cccs1 ZINC000337129890 1032901029 /nfs/dbraw/zinc/90/10/29/1032901029.db2.gz JEIURBZLPDKXSN-UHFFFAOYSA-N 1 1 304.459 3.837 20 30 DHEDMO COc1ccc(C[N@H+](CCC#N)CC(C)(C)C)c(C)c1OC ZINC000347794635 1020447423 /nfs/dbraw/zinc/44/74/23/1020447423.db2.gz ZASAORJEOCZLSE-UHFFFAOYSA-N 1 1 304.434 3.774 20 30 DHEDMO COc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)c(C)c1OC ZINC000347794635 1020447429 /nfs/dbraw/zinc/44/74/29/1020447429.db2.gz ZASAORJEOCZLSE-UHFFFAOYSA-N 1 1 304.434 3.774 20 30 DHEDMO Cn1cccc1C[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356118874 1020456944 /nfs/dbraw/zinc/45/69/44/1020456944.db2.gz YSAVOLXZSHARJE-UHFFFAOYSA-N 1 1 307.319 3.548 20 30 DHEDMO Cn1cccc1C[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356118874 1020456947 /nfs/dbraw/zinc/45/69/47/1020456947.db2.gz YSAVOLXZSHARJE-UHFFFAOYSA-N 1 1 307.319 3.548 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000765834665 1020464068 /nfs/dbraw/zinc/46/40/68/1020464068.db2.gz FZANQFJWVDDHRC-QGZVFWFLSA-N 1 1 324.472 3.563 20 30 DHEDMO C[NH+](C)C[C@@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000282596969 1020473719 /nfs/dbraw/zinc/47/37/19/1020473719.db2.gz CQHRTMUXBRXSLC-GOSISDBHSA-N 1 1 313.832 3.604 20 30 DHEDMO C=CC[N@H+](Cc1ccc(-n2ccnc2)nc1)CC1CCCCC1 ZINC000177163971 1020489358 /nfs/dbraw/zinc/48/93/58/1020489358.db2.gz YZTJEXDWXMHPIT-UHFFFAOYSA-N 1 1 310.445 3.836 20 30 DHEDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075637867 1020501743 /nfs/dbraw/zinc/50/17/43/1020501743.db2.gz IXGDIKLLLNUCAD-BBRMVZONSA-N 1 1 310.401 3.619 20 30 DHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@](C)(C#N)C1 ZINC000612405630 1020546817 /nfs/dbraw/zinc/54/68/17/1020546817.db2.gz BNDALBHPBWVGHI-HXUWFJFHSA-N 1 1 313.489 3.770 20 30 DHEDMO CC(C)c1nccn1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000359865321 1020573359 /nfs/dbraw/zinc/57/33/59/1020573359.db2.gz DJQZDJGYNFSXAC-CQSZACIVSA-N 1 1 314.458 3.604 20 30 DHEDMO C[C@@H]1CC(N=Nc2ccc(F)cn2)CC[N@H+]1Cc1ccccc1 ZINC000734298679 1020583014 /nfs/dbraw/zinc/58/30/14/1020583014.db2.gz CGNQHJROXUHBGC-CQSZACIVSA-N 1 1 312.392 3.673 20 30 DHEDMO C=CC[N@@H+]([C@H]1CCCN(C(=O)c2ccccc2)CC1)C(C)(C)C ZINC001171907778 1032916659 /nfs/dbraw/zinc/91/66/59/1032916659.db2.gz ZLCCLXRNHGXLSY-SFHVURJKSA-N 1 1 314.473 3.968 20 30 DHEDMO CCCOc1c(Cl)cc(C[NH2+]CC(C)(C)C#N)cc1OC ZINC000612584971 1020631919 /nfs/dbraw/zinc/63/19/19/1020631919.db2.gz KYYPFQXJHYGBDI-UHFFFAOYSA-N 1 1 310.825 3.777 20 30 DHEDMO CC(C)(C#N)C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000612585883 1020632735 /nfs/dbraw/zinc/63/27/35/1020632735.db2.gz VCECAQOSWGTHRO-UHFFFAOYSA-N 1 1 319.408 3.777 20 30 DHEDMO N#Cc1c(F)cc(C[NH+]2CCC3(CCC(=O)CC3)CC2)cc1F ZINC001140756046 1020669777 /nfs/dbraw/zinc/66/97/77/1020669777.db2.gz BYRSXYARCGJPNH-UHFFFAOYSA-N 1 1 318.367 3.562 20 30 DHEDMO C[N@@H+](CCc1cccc(F)c1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140756681 1020674388 /nfs/dbraw/zinc/67/43/88/1020674388.db2.gz PNJHNJZSWOOGTO-UHFFFAOYSA-N 1 1 304.315 3.650 20 30 DHEDMO C=CC[N@@H+](Cc1cc(Br)ccc1C)[C@H](C)COC ZINC001171917563 1032919927 /nfs/dbraw/zinc/91/99/27/1032919927.db2.gz ZUHBDBDKZUOTDN-CYBMUJFWSA-N 1 1 312.251 3.780 20 30 DHEDMO C=C(Cl)C[NH2+]Cc1ccc(OCC(F)(F)F)c(OCC)c1 ZINC000735925282 1020779783 /nfs/dbraw/zinc/77/97/83/1020779783.db2.gz AICFMTPFAMQFQU-UHFFFAOYSA-N 1 1 323.742 3.869 20 30 DHEDMO C=CCCC(=O)OC[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000735888856 1020775466 /nfs/dbraw/zinc/77/54/66/1020775466.db2.gz JSCKRUAZLOZLDJ-AWEZNQCLSA-N 1 1 323.383 3.686 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2Cl)C1 ZINC000661380103 1020799250 /nfs/dbraw/zinc/79/92/50/1020799250.db2.gz DZIURQFXMCXUQG-CQSZACIVSA-N 1 1 306.837 3.875 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2Cl)C1 ZINC000661380103 1020799243 /nfs/dbraw/zinc/79/92/43/1020799243.db2.gz DZIURQFXMCXUQG-CQSZACIVSA-N 1 1 306.837 3.875 20 30 DHEDMO C#CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000829774217 1020814969 /nfs/dbraw/zinc/81/49/69/1020814969.db2.gz NJPFSKJYOVWDRQ-OLZOCXBDSA-N 1 1 322.811 3.541 20 30 DHEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)C1 ZINC000829774217 1020814978 /nfs/dbraw/zinc/81/49/78/1020814978.db2.gz NJPFSKJYOVWDRQ-OLZOCXBDSA-N 1 1 322.811 3.541 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000685849631 1020821633 /nfs/dbraw/zinc/82/16/33/1020821633.db2.gz SKLWQCPOCJZRRG-MSOLQXFVSA-N 1 1 301.430 3.641 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000661386817 1020845196 /nfs/dbraw/zinc/84/51/96/1020845196.db2.gz UXYHNWWQIJYNMZ-IRXDYDNUSA-N 1 1 306.494 3.559 20 30 DHEDMO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccccc1Cl ZINC000582384008 1020931843 /nfs/dbraw/zinc/93/18/43/1020931843.db2.gz WEUCVKHJQDXLCO-UHFFFAOYSA-N 1 1 314.816 3.860 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccccc1Cl ZINC000582384008 1020931851 /nfs/dbraw/zinc/93/18/51/1020931851.db2.gz WEUCVKHJQDXLCO-UHFFFAOYSA-N 1 1 314.816 3.860 20 30 DHEDMO C[N@@H+](CCNc1nc(C(C)(C)C)ccc1C#N)C1CCCC1 ZINC000613420751 1020946220 /nfs/dbraw/zinc/94/62/20/1020946220.db2.gz OJAPSUBURLZZJS-UHFFFAOYSA-N 1 1 300.450 3.537 20 30 DHEDMO Cc1[nH+]ccn1CCCCNc1nc(C(C)(C)C)ccc1C#N ZINC000613426222 1020949203 /nfs/dbraw/zinc/94/92/03/1020949203.db2.gz ULNOHHGOMCGCPX-UHFFFAOYSA-N 1 1 311.433 3.648 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000613492069 1020998647 /nfs/dbraw/zinc/99/86/47/1020998647.db2.gz FKXWIDQFFXUGLU-GOSISDBHSA-N 1 1 300.446 3.557 20 30 DHEDMO C[N@@H+](CCCC(C)(C)C#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174881632 1021007339 /nfs/dbraw/zinc/00/73/39/1021007339.db2.gz DSAOFIGSMSBJIE-IBGZPJMESA-N 1 1 313.489 3.770 20 30 DHEDMO C[NH+](CCCC(C)(C)C#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174881632 1021007341 /nfs/dbraw/zinc/00/73/41/1021007341.db2.gz DSAOFIGSMSBJIE-IBGZPJMESA-N 1 1 313.489 3.770 20 30 DHEDMO C[N@H+](CCCC(C)(C)C#N)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000174881632 1021007346 /nfs/dbraw/zinc/00/73/46/1021007346.db2.gz DSAOFIGSMSBJIE-IBGZPJMESA-N 1 1 313.489 3.770 20 30 DHEDMO C[N@@H+](CCCC(C)(C)C#N)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000174881632 1021007347 /nfs/dbraw/zinc/00/73/47/1021007347.db2.gz DSAOFIGSMSBJIE-IBGZPJMESA-N 1 1 313.489 3.770 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1O ZINC000742165287 1021094130 /nfs/dbraw/zinc/09/41/30/1021094130.db2.gz GGZJVLBBBSGJDB-CALCHBBNSA-N 1 1 301.430 3.607 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000125726278 1032953880 /nfs/dbraw/zinc/95/38/80/1032953880.db2.gz NMCJEXUJTVFJNM-CYBMUJFWSA-N 1 1 315.804 3.658 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@H](CC)c1ccccc1OCC)C(C)C ZINC000917168176 1021205017 /nfs/dbraw/zinc/20/50/17/1021205017.db2.gz RLCQXDGZWOXXGD-QGZVFWFLSA-N 1 1 318.461 3.549 20 30 DHEDMO Cn1cc[nH+]c1C[C@@H](/N=C/c1ccccc1O)c1ccccc1 ZINC000743044600 1021207849 /nfs/dbraw/zinc/20/78/49/1021207849.db2.gz MSNXQHJAEYNXFI-AQRZYSDFSA-N 1 1 305.381 3.529 20 30 DHEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCC(C)C)cc1 ZINC000917170597 1021208133 /nfs/dbraw/zinc/20/81/33/1021208133.db2.gz OZCAGYKHLJQHSL-QGZVFWFLSA-N 1 1 315.461 3.608 20 30 DHEDMO C[Si](C)(C)C#C[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001168523091 1021218929 /nfs/dbraw/zinc/21/89/29/1021218929.db2.gz ZOTVEAGJKMALEY-UHFFFAOYSA-N 1 1 304.853 3.522 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181552214 1021239778 /nfs/dbraw/zinc/23/97/78/1021239778.db2.gz DMUXPBOGYLRIID-OXQOHEQNSA-N 1 1 306.409 3.563 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181552214 1021239786 /nfs/dbraw/zinc/23/97/86/1021239786.db2.gz DMUXPBOGYLRIID-OXQOHEQNSA-N 1 1 306.409 3.563 20 30 DHEDMO C=CCn1c2ccccc2n(C[N@@H+]2CCCSCC2)c1=S ZINC000917462733 1021268293 /nfs/dbraw/zinc/26/82/93/1021268293.db2.gz UYBAQKMFWFMJMW-UHFFFAOYSA-N 1 1 319.499 3.755 20 30 DHEDMO C=CCn1c2ccccc2n(C[N@H+]2CCCSCC2)c1=S ZINC000917462733 1021268305 /nfs/dbraw/zinc/26/83/05/1021268305.db2.gz UYBAQKMFWFMJMW-UHFFFAOYSA-N 1 1 319.499 3.755 20 30 DHEDMO C=CCCCCC[N@H+](C)CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000743372230 1021272995 /nfs/dbraw/zinc/27/29/95/1021272995.db2.gz ZQIFPTRKUDOIKS-SJLPKXTDSA-N 1 1 300.446 3.842 20 30 DHEDMO C[C@@]1(C#N)CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987128 1032970007 /nfs/dbraw/zinc/97/00/07/1032970007.db2.gz PEOSXAWZVURLIT-ICSRJNTNSA-N 1 1 311.473 3.665 20 30 DHEDMO CC[N@@H+](CCOCCC#N)Cc1ccc(Cl)c(Cl)c1 ZINC000338921515 1021328111 /nfs/dbraw/zinc/32/81/11/1021328111.db2.gz TXNZEPVXGOTLJG-UHFFFAOYSA-N 1 1 301.217 3.746 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC1(COC)CCC1 ZINC000361377397 1021357500 /nfs/dbraw/zinc/35/75/00/1021357500.db2.gz OQMPIBYAIZUQRH-UHFFFAOYSA-N 1 1 305.466 3.659 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000538016091 1032975297 /nfs/dbraw/zinc/97/52/97/1032975297.db2.gz ZCTGFZZMYVBYKB-HNNXBMFYSA-N 1 1 319.424 3.625 20 30 DHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(OCC#N)cc2)C1 ZINC000743868899 1021398285 /nfs/dbraw/zinc/39/82/85/1021398285.db2.gz HEVNGMNMMVRZOU-RDJZCZTQSA-N 1 1 304.459 3.695 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000069877329 1021400671 /nfs/dbraw/zinc/40/06/71/1021400671.db2.gz CNHFKKARKUIENB-UHFFFAOYSA-N 1 1 300.427 3.875 20 30 DHEDMO C=CCCn1cc(CNc2ccc([N@@H+](CC)C(C)C)cc2)nn1 ZINC000850044797 1021404133 /nfs/dbraw/zinc/40/41/33/1021404133.db2.gz VTJIFUJFMBNTMB-UHFFFAOYSA-N 1 1 313.449 3.701 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H](O)c1ccc(F)cc1F ZINC000918025884 1021422133 /nfs/dbraw/zinc/42/21/33/1021422133.db2.gz NTLMGTWYEFLIBN-GOSISDBHSA-N 1 1 321.342 3.826 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)c1ccc(F)cc1F ZINC000918025884 1021422137 /nfs/dbraw/zinc/42/21/37/1021422137.db2.gz NTLMGTWYEFLIBN-GOSISDBHSA-N 1 1 321.342 3.826 20 30 DHEDMO CCN(CCC#N)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075463 1032981315 /nfs/dbraw/zinc/98/13/15/1032981315.db2.gz QZFFAHXVHMUZLM-PMOLBWCYSA-N 1 1 311.473 3.808 20 30 DHEDMO C=CCOCCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000850531992 1021585642 /nfs/dbraw/zinc/58/56/42/1021585642.db2.gz OZDQXXAMGROBND-NSHDSACASA-N 1 1 303.324 3.654 20 30 DHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2F)c1 ZINC000538140135 1032994383 /nfs/dbraw/zinc/99/43/83/1032994383.db2.gz RCQRISKLHOAXKX-SFHVURJKSA-N 1 1 324.399 3.913 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nccn2C)cc1 ZINC000850571797 1021614094 /nfs/dbraw/zinc/61/40/94/1021614094.db2.gz AXRFYHGACDHRRP-KGLIPLIRSA-N 1 1 319.836 3.963 20 30 DHEDMO CCCCCCCCC[N@@H+](C)Cc1cc(=O)n2ccsc2n1 ZINC000918741690 1021639240 /nfs/dbraw/zinc/63/92/40/1021639240.db2.gz MHOHOOAXELJFLN-UHFFFAOYSA-N 1 1 321.490 3.938 20 30 DHEDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619178977 1021671380 /nfs/dbraw/zinc/67/13/80/1021671380.db2.gz BILUQFAQDKQYPF-CRAIPNDOSA-N 1 1 300.446 3.613 20 30 DHEDMO CC[N@@H+](CCOCCC#N)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000339013844 1033001078 /nfs/dbraw/zinc/00/10/78/1033001078.db2.gz OEHSASQWBUFACW-SFHVURJKSA-N 1 1 306.425 3.645 20 30 DHEDMO CCCCCCC[C@H](C)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000745702942 1021768587 /nfs/dbraw/zinc/76/85/87/1021768587.db2.gz GDLHUQSZGNBVQA-KSZLIROESA-N 1 1 323.525 3.861 20 30 DHEDMO CC[NH+](CC)[C@@H](C(=O)O[C@@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000851208201 1021782771 /nfs/dbraw/zinc/78/27/71/1021782771.db2.gz PPCJXPICTLGADR-DOTOQJQBSA-N 1 1 316.445 3.941 20 30 DHEDMO C[N@H+]1CCC[C@H](CNCC#Cc2ccccc2)[C@@H]1c1cccs1 ZINC000893018117 1021803909 /nfs/dbraw/zinc/80/39/09/1021803909.db2.gz CJQAKSRPEAIPQW-UYAOXDASSA-N 1 1 324.493 3.772 20 30 DHEDMO CN1CCC[C@H](C[NH2+]CC#Cc2ccccc2)[C@@H]1c1cccs1 ZINC000893018117 1021803922 /nfs/dbraw/zinc/80/39/22/1021803922.db2.gz CJQAKSRPEAIPQW-UYAOXDASSA-N 1 1 324.493 3.772 20 30 DHEDMO Cc1c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000194959710 1021824044 /nfs/dbraw/zinc/82/40/44/1021824044.db2.gz SGBQYGPTOQLAKF-UHFFFAOYSA-N 1 1 321.380 3.940 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C#N)CCc1ccc(Cl)cc1 ZINC001168775794 1021824890 /nfs/dbraw/zinc/82/48/90/1021824890.db2.gz PCSXILCJZYREJP-UHFFFAOYSA-N 1 1 314.816 3.765 20 30 DHEDMO N#CC1(c2ccccn2)CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000619726307 1021853046 /nfs/dbraw/zinc/85/30/46/1021853046.db2.gz HVSJIQMMKAPUBI-ARJAWSKDSA-N 1 1 321.399 3.791 20 30 DHEDMO Cn1cc(C[N@H+](C)Cc2ccc(C#N)cc2)c(C2CCCCC2)n1 ZINC000182987499 1021920351 /nfs/dbraw/zinc/92/03/51/1021920351.db2.gz MDPJPVMXQOBOTC-UHFFFAOYSA-N 1 1 322.456 3.971 20 30 DHEDMO Cn1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(C2CCCCC2)n1 ZINC000182987499 1021920364 /nfs/dbraw/zinc/92/03/64/1021920364.db2.gz MDPJPVMXQOBOTC-UHFFFAOYSA-N 1 1 322.456 3.971 20 30 DHEDMO CC[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@H](C)C#N ZINC000183006408 1021926798 /nfs/dbraw/zinc/92/67/98/1021926798.db2.gz JYQUOSTUASIFNG-MRXNPFEDSA-N 1 1 324.424 3.953 20 30 DHEDMO CC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@H](C)C#N ZINC000183006408 1021926814 /nfs/dbraw/zinc/92/68/14/1021926814.db2.gz JYQUOSTUASIFNG-MRXNPFEDSA-N 1 1 324.424 3.953 20 30 DHEDMO CCc1ccc(C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)cc1 ZINC000198383067 1021959452 /nfs/dbraw/zinc/95/94/52/1021959452.db2.gz DNEHALOFOIQUEC-UHFFFAOYSA-N 1 1 321.424 3.581 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@@H+](CC)C[C@@H]2CCCO2)c1O ZINC000919947034 1021980742 /nfs/dbraw/zinc/98/07/42/1021980742.db2.gz KIGWIYMZNJGKOT-KRWDZBQOSA-N 1 1 319.445 3.520 20 30 DHEDMO C=CCOc1ccccc1[C@@H](C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118622 1033021893 /nfs/dbraw/zinc/02/18/93/1033021893.db2.gz SLWMGMALWJDEBQ-TVFCKZIOSA-N 1 1 314.473 3.917 20 30 DHEDMO C=CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172118622 1033021901 /nfs/dbraw/zinc/02/19/01/1033021901.db2.gz SLWMGMALWJDEBQ-TVFCKZIOSA-N 1 1 314.473 3.917 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000851874503 1022027858 /nfs/dbraw/zinc/02/78/58/1022027858.db2.gz FZEFEBPTJYFCKU-NSHDSACASA-N 1 1 322.252 3.961 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000851874503 1022027876 /nfs/dbraw/zinc/02/78/76/1022027876.db2.gz FZEFEBPTJYFCKU-NSHDSACASA-N 1 1 322.252 3.961 20 30 DHEDMO CCS[C@@H]1CCCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000480950088 1022048156 /nfs/dbraw/zinc/04/81/56/1022048156.db2.gz CTJBPHCSRMSASD-QGZVFWFLSA-N 1 1 304.459 3.545 20 30 DHEDMO COc1cccc(O)c1/C=N/[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000920175599 1022075330 /nfs/dbraw/zinc/07/53/30/1022075330.db2.gz YEPDMMAOOCVUCI-MHLMBQSMSA-N 1 1 324.424 3.655 20 30 DHEDMO C=CCOc1ccccc1[C@H](C)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118621 1033023835 /nfs/dbraw/zinc/02/38/35/1033023835.db2.gz SLWMGMALWJDEBQ-FJIDUMEYSA-N 1 1 314.473 3.917 20 30 DHEDMO C=CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172118621 1033023850 /nfs/dbraw/zinc/02/38/50/1033023850.db2.gz SLWMGMALWJDEBQ-FJIDUMEYSA-N 1 1 314.473 3.917 20 30 DHEDMO N#Cc1cccc(OC2CCN(c3cc[nH+]cc3Cl)CC2)c1 ZINC000290634743 1022105074 /nfs/dbraw/zinc/10/50/74/1022105074.db2.gz MZYPVBAZFMWXBD-UHFFFAOYSA-N 1 1 313.788 3.654 20 30 DHEDMO Cc1ccc(C)c(C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852328066 1022107161 /nfs/dbraw/zinc/10/71/61/1022107161.db2.gz ZJXZVOBVWVKUHC-FQEVSTJZSA-N 1 1 305.425 3.756 20 30 DHEDMO Cc1ccc(C)c(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852328066 1022107167 /nfs/dbraw/zinc/10/71/67/1022107167.db2.gz ZJXZVOBVWVKUHC-FQEVSTJZSA-N 1 1 305.425 3.756 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1C ZINC000852332845 1022111130 /nfs/dbraw/zinc/11/11/30/1022111130.db2.gz WFDBORIVXVHARQ-HXUWFJFHSA-N 1 1 305.425 3.756 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1C ZINC000852332845 1022111140 /nfs/dbraw/zinc/11/11/40/1022111140.db2.gz WFDBORIVXVHARQ-HXUWFJFHSA-N 1 1 305.425 3.756 20 30 DHEDMO C=CC[N@@H+](Cc1cc2ccccc2c(Cl)n1)[C@@H](C)COC ZINC000852356751 1022113603 /nfs/dbraw/zinc/11/36/03/1022113603.db2.gz NDPPVAIHJTYBBT-ZDUSSCGKSA-N 1 1 304.821 3.911 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000076152571 1022115446 /nfs/dbraw/zinc/11/54/46/1022115446.db2.gz IHJJVKUNPWAJJO-RBUKOAKNSA-N 1 1 321.380 3.867 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000076152571 1022115453 /nfs/dbraw/zinc/11/54/53/1022115453.db2.gz IHJJVKUNPWAJJO-RBUKOAKNSA-N 1 1 321.380 3.867 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000620313112 1022118901 /nfs/dbraw/zinc/11/89/01/1022118901.db2.gz WDKATWDNKMTNPB-AQNXPRMDSA-N 1 1 324.468 3.608 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)cc1 ZINC000852426086 1022120639 /nfs/dbraw/zinc/12/06/39/1022120639.db2.gz HFIUPOCQYIKOGD-IEBWSBKVSA-N 1 1 322.408 3.802 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000076152807 1022123222 /nfs/dbraw/zinc/12/32/22/1022123222.db2.gz BIKFBPJKCNYJKT-UXHICEINSA-N 1 1 301.393 3.830 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000076152807 1022123226 /nfs/dbraw/zinc/12/32/26/1022123226.db2.gz BIKFBPJKCNYJKT-UXHICEINSA-N 1 1 301.393 3.830 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000195345800 1022131607 /nfs/dbraw/zinc/13/16/07/1022131607.db2.gz HFOJFALUSVVDFL-ZDUSSCGKSA-N 1 1 301.390 3.533 20 30 DHEDMO C=CC[N@H+](Cc1cc(=O)oc2c(C)c(O)ccc12)C(C)(C)C ZINC000852554429 1022140396 /nfs/dbraw/zinc/14/03/96/1022140396.db2.gz MIIGZVQLMNZOKW-UHFFFAOYSA-N 1 1 301.386 3.594 20 30 DHEDMO CC(C)(C)OC(=O)Nc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000852688198 1022158250 /nfs/dbraw/zinc/15/82/50/1022158250.db2.gz ZIMONKUIYQZJGS-GOSISDBHSA-N 1 1 315.417 3.769 20 30 DHEDMO CC(C)(C)OC(=O)Nc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000852688198 1022158254 /nfs/dbraw/zinc/15/82/54/1022158254.db2.gz ZIMONKUIYQZJGS-GOSISDBHSA-N 1 1 315.417 3.769 20 30 DHEDMO Fc1ccc(C[NH+]2C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C2)cc1 ZINC000076182027 1022199014 /nfs/dbraw/zinc/19/90/14/1022199014.db2.gz PREKSXGQZWDFGK-QWRGUYRKSA-N 1 1 315.232 3.998 20 30 DHEDMO Cc1cc(C)cc(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000853278249 1022248978 /nfs/dbraw/zinc/24/89/78/1022248978.db2.gz ZSEZQKVKEOWPCX-UHFFFAOYSA-N 1 1 323.440 3.711 20 30 DHEDMO C#Cc1cccnc1NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000853375258 1022264653 /nfs/dbraw/zinc/26/46/53/1022264653.db2.gz IDAWUMSQSLNBIU-NVXWUHKLSA-N 1 1 311.454 3.619 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(O)c(C(C)(C)C)c1 ZINC000853524996 1022285763 /nfs/dbraw/zinc/28/57/63/1022285763.db2.gz AYABCDBWQZRSGR-AWEZNQCLSA-N 1 1 316.445 3.824 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1cccc2c1OCCO2 ZINC000064431454 1022304003 /nfs/dbraw/zinc/30/40/03/1022304003.db2.gz INNFBKTTYYNRJQ-UHFFFAOYSA-N 1 1 301.411 3.708 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc2c1OCCO2 ZINC000064431454 1022304018 /nfs/dbraw/zinc/30/40/18/1022304018.db2.gz INNFBKTTYYNRJQ-UHFFFAOYSA-N 1 1 301.411 3.708 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1ccncc1NC(=O)OC(C)(C)C ZINC001141086391 1022322791 /nfs/dbraw/zinc/32/27/91/1022322791.db2.gz ACZFXDNASOHBLO-UHFFFAOYSA-N 1 1 305.422 3.827 20 30 DHEDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCOc1ccccc1C#N ZINC000610003898 1022400160 /nfs/dbraw/zinc/40/01/60/1022400160.db2.gz NNYGHFISHOTWRY-AWEZNQCLSA-N 1 1 310.372 3.695 20 30 DHEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000610001806 1022400207 /nfs/dbraw/zinc/40/02/07/1022400207.db2.gz AECBWAOVYNYRLZ-IRXDYDNUSA-N 1 1 319.493 3.572 20 30 DHEDMO C=CC[N@H+](C)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001169494214 1022425031 /nfs/dbraw/zinc/42/50/31/1022425031.db2.gz FUVCZQYJGDPFGD-UHFFFAOYSA-N 1 1 316.445 3.598 20 30 DHEDMO CCCOc1c(Cl)cc(C[NH2+]C[C@@H](C)C#N)cc1OCC ZINC000183826416 1022430576 /nfs/dbraw/zinc/43/05/76/1022430576.db2.gz OMYQRKXRRRAQQD-LBPRGKRZSA-N 1 1 310.825 3.777 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@@H](C)c2cnccn2)cc1 ZINC001169534329 1022439723 /nfs/dbraw/zinc/43/97/23/1022439723.db2.gz UJRJHNHUWCSUCO-KXBFYZLASA-N 1 1 308.429 3.973 20 30 DHEDMO COc1ccccc1C[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000179588820 1022476090 /nfs/dbraw/zinc/47/60/90/1022476090.db2.gz UCDYOBGBFQABCW-HNNXBMFYSA-N 1 1 310.397 3.618 20 30 DHEDMO COc1ccc(C#N)cc1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000179669061 1022504833 /nfs/dbraw/zinc/50/48/33/1022504833.db2.gz AKGLOYHUQGDURQ-UHFFFAOYSA-N 1 1 312.800 3.999 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000766855424 1022560686 /nfs/dbraw/zinc/56/06/86/1022560686.db2.gz FJJXNUMRZPXTIM-UHFFFAOYSA-N 1 1 314.351 3.930 20 30 DHEDMO C=CC[C@H](Nc1ccc([C@@H]2CCC[N@H+]2CC=C)cc1)C(=O)OC ZINC001169844827 1022564485 /nfs/dbraw/zinc/56/44/85/1022564485.db2.gz NJBMBQVDJDGEIO-ROUUACIJSA-N 1 1 314.429 3.539 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2C)cc1 ZINC000179909727 1022578337 /nfs/dbraw/zinc/57/83/37/1022578337.db2.gz CEIKFXNBJGZQJV-CVEARBPZSA-N 1 1 306.409 3.924 20 30 DHEDMO C[C@@H]1CC(N=Nc2ccc(F)cn2)C[N@@H+](Cc2ccccc2)C1 ZINC000767378781 1022690183 /nfs/dbraw/zinc/69/01/83/1022690183.db2.gz RGFQWGITJIWWAZ-CQSZACIVSA-N 1 1 312.392 3.531 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001172306921 1033075319 /nfs/dbraw/zinc/07/53/19/1033075319.db2.gz LSMCXJOQXOPZNF-OXQOHEQNSA-N 1 1 305.425 3.591 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001172305724 1033075422 /nfs/dbraw/zinc/07/54/22/1033075422.db2.gz FPWFCTQMQCIBTK-VQIMIIECSA-N 1 1 305.425 3.764 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001172305722 1033076163 /nfs/dbraw/zinc/07/61/63/1033076163.db2.gz FPWFCTQMQCIBTK-LPHOPBHVSA-N 1 1 305.425 3.764 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CC/C=C/c1cccnc1 ZINC001172311096 1033077815 /nfs/dbraw/zinc/07/78/15/1033077815.db2.gz OQFHYZQJIZRIKE-ZVVFDCPKSA-N 1 1 305.425 3.920 20 30 DHEDMO COc1cc(C[N@@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)cc(OC)c1 ZINC001172308125 1033078099 /nfs/dbraw/zinc/07/80/99/1033078099.db2.gz TZANCTVWBPITEB-HNNXBMFYSA-N 1 1 324.424 3.638 20 30 DHEDMO CC(=O)c1ccc2c(c1)C[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172309620 1033078334 /nfs/dbraw/zinc/07/83/34/1033078334.db2.gz AJFSCMGOIAXQFB-HNNXBMFYSA-N 1 1 318.420 3.750 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001172307990 1033079694 /nfs/dbraw/zinc/07/96/94/1033079694.db2.gz RXFRSPIMSQYEOU-DYESRHJHSA-N 1 1 320.436 3.780 20 30 DHEDMO Cc1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)ccc1C#N ZINC000767690956 1022783548 /nfs/dbraw/zinc/78/35/48/1022783548.db2.gz MHNSHNMMGOAAGE-UHFFFAOYSA-N 1 1 315.760 3.718 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001172312998 1033080642 /nfs/dbraw/zinc/08/06/42/1033080642.db2.gz NKZUMXUDOJPVCS-JXFKEZNVSA-N 1 1 312.457 3.770 20 30 DHEDMO C=C[C@@H](CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000616998461 1022810181 /nfs/dbraw/zinc/81/01/81/1022810181.db2.gz OIDNHDIJCWRPQC-SJORKVTESA-N 1 1 314.473 3.583 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC001172318611 1033083752 /nfs/dbraw/zinc/08/37/52/1033083752.db2.gz HPMNWPAIZZXMPH-HNNXBMFYSA-N 1 1 324.424 3.638 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1c[nH]c3c1cccc3F)C2 ZINC001137051595 1022853659 /nfs/dbraw/zinc/85/36/59/1022853659.db2.gz WZUGKQHWKDOCPI-UHFFFAOYSA-N 1 1 305.356 3.737 20 30 DHEDMO COc1cccc(CC[N@@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172320558 1033085517 /nfs/dbraw/zinc/08/55/17/1033085517.db2.gz VWESHPKYNDFZIV-INIZCTEOSA-N 1 1 308.425 3.672 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1cc(Br)ccc1O ZINC000768154440 1022905096 /nfs/dbraw/zinc/90/50/96/1022905096.db2.gz TUWOCUGUSJQJBP-UHFFFAOYSA-N 1 1 311.223 3.526 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cc3c(cc[nH]c3=O)o2)C2CC2)cc1 ZINC000876571379 1033094221 /nfs/dbraw/zinc/09/42/21/1033094221.db2.gz WMNOFZCRIZBNQG-UHFFFAOYSA-N 1 1 319.364 3.570 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2cc3c(cc[nH]c3=O)o2)C2CC2)cc1 ZINC000876571379 1033094224 /nfs/dbraw/zinc/09/42/24/1033094224.db2.gz WMNOFZCRIZBNQG-UHFFFAOYSA-N 1 1 319.364 3.570 20 30 DHEDMO Cc1ccnc(N=NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000768365683 1022952568 /nfs/dbraw/zinc/95/25/68/1022952568.db2.gz ALZQLEBLXXKMLH-KDURUIRLSA-N 1 1 320.440 3.985 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)cc1OCCCC#N ZINC000418138798 1022972331 /nfs/dbraw/zinc/97/23/31/1022972331.db2.gz VBYYSUSETFGONZ-XHSDSOJGSA-N 1 1 316.445 3.854 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(OCCCC)cc2)no1 ZINC001212325320 1022994852 /nfs/dbraw/zinc/99/48/52/1022994852.db2.gz NVYGTSYYRHXWRF-INIZCTEOSA-N 1 1 313.401 3.719 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000876585584 1033099316 /nfs/dbraw/zinc/09/93/16/1033099316.db2.gz OXXIIRHQQWMDEB-OAHLLOKOSA-N 1 1 311.816 3.671 20 30 DHEDMO C[C@H](c1ccccn1)[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000768734697 1023018501 /nfs/dbraw/zinc/01/85/01/1023018501.db2.gz OXROEEDNNAHLMO-CYBMUJFWSA-N 1 1 315.804 3.830 20 30 DHEDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000768734697 1023018514 /nfs/dbraw/zinc/01/85/14/1023018514.db2.gz OXROEEDNNAHLMO-CYBMUJFWSA-N 1 1 315.804 3.830 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1nc2ccccc2cc1CC#N ZINC001167751042 1023020779 /nfs/dbraw/zinc/02/07/79/1023020779.db2.gz DZERWALTQJPUCI-MRXNPFEDSA-N 1 1 322.456 3.977 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCNc1ncc(C#N)c2ccsc21 ZINC001167751754 1023035100 /nfs/dbraw/zinc/03/51/00/1023035100.db2.gz NESXDKQXURLPBS-ZDUSSCGKSA-N 1 1 314.458 3.844 20 30 DHEDMO C[C@H](CC(C)(C)C#N)[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000695865960 1023036381 /nfs/dbraw/zinc/03/63/81/1023036381.db2.gz VYGQEWQEKJGIMD-XLIONFOSSA-N 1 1 313.489 3.817 20 30 DHEDMO Cc1nc(NCCC[N@@H+]2CCCC[C@H]2C)c(C#N)c(C)c1C ZINC001167752880 1023038020 /nfs/dbraw/zinc/03/80/20/1023038020.db2.gz YYXJDILPDFJJKF-CYBMUJFWSA-N 1 1 300.450 3.555 20 30 DHEDMO CC[N@@H+](Cc1cc2c(cc[nH]c2=O)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000876596947 1033101079 /nfs/dbraw/zinc/10/10/79/1033101079.db2.gz AHPAQWLVHYOAKB-CYBMUJFWSA-N 1 1 321.380 3.988 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000876598897 1033101304 /nfs/dbraw/zinc/10/13/04/1033101304.db2.gz RDWDQJLNGVWFBQ-BZUAXINKSA-N 1 1 323.481 3.694 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000876598899 1033101773 /nfs/dbraw/zinc/10/17/73/1033101773.db2.gz RDWDQJLNGVWFBQ-OWCLPIDISA-N 1 1 323.481 3.694 20 30 DHEDMO CC[N@@H+](CCc1cccs1)Cc1cc(C#N)cnc1Cl ZINC000876608831 1033103108 /nfs/dbraw/zinc/10/31/08/1033103108.db2.gz FHVYICYUCLZBOX-UHFFFAOYSA-N 1 1 305.834 3.733 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1 ZINC000769103918 1023084587 /nfs/dbraw/zinc/08/45/87/1023084587.db2.gz DPBFEFVQEKVKHU-UTKZUKDTSA-N 1 1 321.420 3.661 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1 ZINC000769103918 1023084596 /nfs/dbraw/zinc/08/45/96/1023084596.db2.gz DPBFEFVQEKVKHU-UTKZUKDTSA-N 1 1 321.420 3.661 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000769107632 1023084662 /nfs/dbraw/zinc/08/46/62/1023084662.db2.gz YUEKXZXQXRNQJS-FQEVSTJZSA-N 1 1 307.393 3.741 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000181443761 1023100841 /nfs/dbraw/zinc/10/08/41/1023100841.db2.gz OPQXBARXBJAOIS-CQSZACIVSA-N 1 1 310.372 3.675 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000181443761 1023100845 /nfs/dbraw/zinc/10/08/45/1023100845.db2.gz OPQXBARXBJAOIS-CQSZACIVSA-N 1 1 310.372 3.675 20 30 DHEDMO CCCCCCCOc1ccc(C[N@H+]2CC[C@@H](CO)C2)cc1 ZINC000769244395 1023108051 /nfs/dbraw/zinc/10/80/51/1023108051.db2.gz NVXXKBGPHGYNQN-GOSISDBHSA-N 1 1 305.462 3.850 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2nc3ccccc3n2C2CC2)s1 ZINC000184777911 1023108745 /nfs/dbraw/zinc/10/87/45/1023108745.db2.gz KEOZOXBTJKWYST-UHFFFAOYSA-N 1 1 308.410 3.594 20 30 DHEDMO Cc1cccc(C2=CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)CC2)c1 ZINC000092821906 1023123335 /nfs/dbraw/zinc/12/33/35/1023123335.db2.gz SARPWZJXOCVHAO-NRFANRHFSA-N 1 1 318.420 3.689 20 30 DHEDMO Cc1cccc2c1CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)C2 ZINC000769340312 1023129567 /nfs/dbraw/zinc/12/95/67/1023129567.db2.gz VYIXBJLNCXRAGD-UHFFFAOYSA-N 1 1 319.452 3.903 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCc3sccc3C2)cc1 ZINC000769380814 1023136098 /nfs/dbraw/zinc/13/60/98/1023136098.db2.gz JVHSCLWFKLPEGB-CQSZACIVSA-N 1 1 312.438 3.987 20 30 DHEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(C)s1)C2 ZINC001204031221 1023205923 /nfs/dbraw/zinc/20/59/23/1023205923.db2.gz GCSGIMUKYBWJPR-ZWKOTPCHSA-N 1 1 321.486 3.630 20 30 DHEDMO CC[NH+](CC)[C@@H](C(=O)OCC(C)(C)CCC#N)c1ccccc1 ZINC000195042690 1023206249 /nfs/dbraw/zinc/20/62/49/1023206249.db2.gz ZUHLAFHKDUEWKK-QGZVFWFLSA-N 1 1 316.445 3.943 20 30 DHEDMO CCC[N@@H+](C[C@H](C)CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000876690854 1033122782 /nfs/dbraw/zinc/12/27/82/1033122782.db2.gz SUIOYBHRFSALEV-HZPDHXFCSA-N 1 1 323.481 3.648 20 30 DHEDMO CCC[N@@H+](C[C@H](C)CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000876690852 1033123781 /nfs/dbraw/zinc/12/37/81/1033123781.db2.gz SUIOYBHRFSALEV-CVEARBPZSA-N 1 1 323.481 3.648 20 30 DHEDMO CC[N@H+](CCOc1cc(Cl)ccc1Cl)C[C@@H](C)C#N ZINC000195652012 1023363044 /nfs/dbraw/zinc/36/30/44/1023363044.db2.gz BSPHFMGITCPLBR-NSHDSACASA-N 1 1 301.217 3.854 20 30 DHEDMO CC[N@@H+](CCOc1cc(Cl)ccc1Cl)C[C@@H](C)C#N ZINC000195652012 1023363051 /nfs/dbraw/zinc/36/30/51/1023363051.db2.gz BSPHFMGITCPLBR-NSHDSACASA-N 1 1 301.217 3.854 20 30 DHEDMO CC[C@@H]1C[N@@H+](C[C@@H](C)CCC#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000876762641 1033138886 /nfs/dbraw/zinc/13/88/86/1033138886.db2.gz GDWYJKNYLRIVFL-ARFHVFGLSA-N 1 1 323.481 3.551 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000045003318 1023535595 /nfs/dbraw/zinc/53/55/95/1023535595.db2.gz SGYAKOCNXFVGAE-OAHLLOKOSA-N 1 1 314.429 3.850 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000045003318 1023535598 /nfs/dbraw/zinc/53/55/98/1023535598.db2.gz SGYAKOCNXFVGAE-OAHLLOKOSA-N 1 1 314.429 3.850 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(-n2nc(C)cc2C)cc1)[C@@H](C)COC ZINC000661244452 1023539112 /nfs/dbraw/zinc/53/91/12/1023539112.db2.gz UTISLBNKSDEMEC-KRWDZBQOSA-N 1 1 313.445 3.512 20 30 DHEDMO CC(C)(C)OC(=O)C[N@@H+](CCCCC(C)(C)C#N)C1CCC1 ZINC000594056579 1023559537 /nfs/dbraw/zinc/55/95/37/1023559537.db2.gz WUGFHHMOMHTGBD-UHFFFAOYSA-N 1 1 308.466 3.903 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000661381022 1023581858 /nfs/dbraw/zinc/58/18/58/1023581858.db2.gz TTZXMKFLEOWQNJ-QGZVFWFLSA-N 1 1 300.446 3.838 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000661380587 1023582682 /nfs/dbraw/zinc/58/26/82/1023582682.db2.gz OPCOTCGKPZIMDN-QGZVFWFLSA-N 1 1 311.429 3.643 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000661380587 1023582689 /nfs/dbraw/zinc/58/26/89/1023582689.db2.gz OPCOTCGKPZIMDN-QGZVFWFLSA-N 1 1 311.429 3.643 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000661383901 1023582858 /nfs/dbraw/zinc/58/28/58/1023582858.db2.gz FWIMQMGVOUZNDH-AWEZNQCLSA-N 1 1 315.392 3.588 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000661383901 1023582869 /nfs/dbraw/zinc/58/28/69/1023582869.db2.gz FWIMQMGVOUZNDH-AWEZNQCLSA-N 1 1 315.392 3.588 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2noc(-c3ccc(OC)cc3)n2)C1 ZINC000661379352 1023584663 /nfs/dbraw/zinc/58/46/63/1023584663.db2.gz XGBSAAHZBLFAAB-CQSZACIVSA-N 1 1 313.401 3.533 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2noc(-c3ccc(OC)cc3)n2)C1 ZINC000661379352 1023584675 /nfs/dbraw/zinc/58/46/75/1023584675.db2.gz XGBSAAHZBLFAAB-CQSZACIVSA-N 1 1 313.401 3.533 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)CC2(CCCC2)O1 ZINC000785538490 1023589101 /nfs/dbraw/zinc/58/91/01/1023589101.db2.gz JTMZATHMKMQGIK-UHFFFAOYSA-N 1 1 314.429 3.513 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000876794131 1033144146 /nfs/dbraw/zinc/14/41/46/1033144146.db2.gz MVJNEDILOJQGOD-WMZOPIPTSA-N 1 1 312.413 3.755 20 30 DHEDMO C=CCCCCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000785714020 1023612551 /nfs/dbraw/zinc/61/25/51/1023612551.db2.gz VABKCHWFISEULT-MOPGFXCFSA-N 1 1 303.446 3.557 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccccc1Br ZINC000785997738 1023650111 /nfs/dbraw/zinc/65/01/11/1023650111.db2.gz RKUSDRIISFVNLN-IUODEOHRSA-N 1 1 310.235 3.523 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccccc1Br ZINC000785997738 1023650112 /nfs/dbraw/zinc/65/01/12/1023650112.db2.gz RKUSDRIISFVNLN-IUODEOHRSA-N 1 1 310.235 3.523 20 30 DHEDMO Cc1c([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)cnn1C(C)(C)C ZINC000786917238 1023737064 /nfs/dbraw/zinc/73/70/64/1023737064.db2.gz NUWUTZOADRFDPU-LBPRGKRZSA-N 1 1 314.408 3.808 20 30 DHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172980348 1033490211 /nfs/dbraw/zinc/49/02/11/1033490211.db2.gz WKQHLVWPUCJXET-QXSJWSMHSA-N 1 1 321.465 3.541 20 30 DHEDMO Cn1cccc1[C@H]1CCCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000746671900 1023784215 /nfs/dbraw/zinc/78/42/15/1023784215.db2.gz POWPCSZWLCCFLC-HXUWFJFHSA-N 1 1 323.440 3.893 20 30 DHEDMO CC(=[NH+]OC[C@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000788033553 1023841451 /nfs/dbraw/zinc/84/14/51/1023841451.db2.gz IZNSHPPDFVPICU-HNNXBMFYSA-N 1 1 320.408 3.593 20 30 DHEDMO C[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H]1c1cccc(F)c1 ZINC000598594249 1023856050 /nfs/dbraw/zinc/85/60/50/1023856050.db2.gz FEIVEFUREMIXAK-COXVUDFISA-N 1 1 304.409 3.509 20 30 DHEDMO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1[C@H](C)CCCC(C)C ZINC001170083261 1023864716 /nfs/dbraw/zinc/86/47/16/1023864716.db2.gz OGOSLRHQZRRPNW-AEFFLSMTSA-N 1 1 319.493 3.737 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000662079793 1023888525 /nfs/dbraw/zinc/88/85/25/1023888525.db2.gz MKAPRGPJWKFZHD-SOUVJXGZSA-N 1 1 302.393 3.644 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000662080265 1023889791 /nfs/dbraw/zinc/88/97/91/1023889791.db2.gz OHIYWUBZNTWFAC-XLAORIBOSA-N 1 1 312.457 3.744 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000662086814 1023892382 /nfs/dbraw/zinc/89/23/82/1023892382.db2.gz ZCNTYPRCLJBUNW-BETUJISGSA-N 1 1 315.804 3.672 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000662086814 1023892386 /nfs/dbraw/zinc/89/23/86/1023892386.db2.gz ZCNTYPRCLJBUNW-BETUJISGSA-N 1 1 315.804 3.672 20 30 DHEDMO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000093872400 1023942494 /nfs/dbraw/zinc/94/24/94/1023942494.db2.gz IRYMSZIICSUWRF-VQTJNVASSA-N 1 1 306.409 3.967 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000093872400 1023942495 /nfs/dbraw/zinc/94/24/95/1023942495.db2.gz IRYMSZIICSUWRF-VQTJNVASSA-N 1 1 306.409 3.967 20 30 DHEDMO C[C@@H](C#N)C[N@H+](C)[C@H]1CCCc2ccc(Br)cc21 ZINC000538781093 1033176567 /nfs/dbraw/zinc/17/65/67/1033176567.db2.gz HGLOROHLWDVAAV-NHYWBVRUSA-N 1 1 307.235 3.918 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](C)[C@H]1CCCc2ccc(Br)cc21 ZINC000538781093 1033176572 /nfs/dbraw/zinc/17/65/72/1033176572.db2.gz HGLOROHLWDVAAV-NHYWBVRUSA-N 1 1 307.235 3.918 20 30 DHEDMO CC(C)(C)c1cc[nH+]c(N2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000882140614 1023974089 /nfs/dbraw/zinc/97/40/89/1023974089.db2.gz RPEGQPXQEOZDIC-SFHVURJKSA-N 1 1 321.424 3.829 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)[C@H](c2ccccc2)CO1 ZINC000266568059 1024042233 /nfs/dbraw/zinc/04/22/33/1024042233.db2.gz ORZWSKSTXHXFLK-JXFKEZNVSA-N 1 1 322.408 3.551 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)[C@H](c2ccccc2)CO1 ZINC000266568059 1024042249 /nfs/dbraw/zinc/04/22/49/1024042249.db2.gz ORZWSKSTXHXFLK-JXFKEZNVSA-N 1 1 322.408 3.551 20 30 DHEDMO Cc1[nH+]ccn1CCCCNc1ccc(C(F)(F)F)cc1C#N ZINC000268166329 1024078463 /nfs/dbraw/zinc/07/84/63/1024078463.db2.gz IAMQRRPMOOCKOM-UHFFFAOYSA-N 1 1 322.334 3.974 20 30 DHEDMO C=CCC(CC=C)C(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000268224847 1024085969 /nfs/dbraw/zinc/08/59/69/1024085969.db2.gz SEQXACONPKDTQE-UHFFFAOYSA-N 1 1 306.494 3.725 20 30 DHEDMO C[C@@H](C#N)C[N@H+](C)Cc1cc(Br)cc2cccnc21 ZINC000268313117 1024100862 /nfs/dbraw/zinc/10/08/62/1024100862.db2.gz KPOVDFAELQRSFW-NSHDSACASA-N 1 1 318.218 3.589 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](C)Cc1cc(Br)cc2cccnc21 ZINC000268313117 1024100866 /nfs/dbraw/zinc/10/08/66/1024100866.db2.gz KPOVDFAELQRSFW-NSHDSACASA-N 1 1 318.218 3.589 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000268464331 1024117373 /nfs/dbraw/zinc/11/73/73/1024117373.db2.gz LGIRGUXECVFQIN-MAUKXSAKSA-N 1 1 313.445 3.520 20 30 DHEDMO Cc1ccccc1[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268572290 1024129517 /nfs/dbraw/zinc/12/95/17/1024129517.db2.gz AYQIKPKFTUTRJX-WOJBJXKFSA-N 1 1 306.409 3.737 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000268584853 1024130683 /nfs/dbraw/zinc/13/06/83/1024130683.db2.gz DILOANXBAFNPOY-OALUTQOASA-N 1 1 310.372 3.568 20 30 DHEDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268582961 1024130746 /nfs/dbraw/zinc/13/07/46/1024130746.db2.gz CXQDWPMNTMIMKL-KPZWWZAWSA-N 1 1 316.351 3.563 20 30 DHEDMO CC(C)[N@H+](Cc1ccccc1F)C[C@H](O)c1ccc(C#N)cc1 ZINC000268667034 1024139630 /nfs/dbraw/zinc/13/96/30/1024139630.db2.gz JMCSQDPGJUTCRX-IBGZPJMESA-N 1 1 312.388 3.641 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H]2CCC(C)C)c1=S ZINC000130675424 1024197262 /nfs/dbraw/zinc/19/72/62/1024197262.db2.gz AKDJHNRDNPZCEX-OAHLLOKOSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H]2CCC(C)C)c1=S ZINC000130675424 1024197269 /nfs/dbraw/zinc/19/72/69/1024197269.db2.gz AKDJHNRDNPZCEX-OAHLLOKOSA-N 1 1 308.495 3.767 20 30 DHEDMO CC[C@H](C)[C@H]([NH2+][C@H](C)CCCC#N)C(=O)OCc1ccccc1 ZINC001172478486 1033193660 /nfs/dbraw/zinc/19/36/60/1033193660.db2.gz FIMITTHVZFFNCX-JZXOWHBKSA-N 1 1 316.445 3.816 20 30 DHEDMO CC(C)N(C)c1ccc(C=[NH+]NCc2cccc(Cl)c2)cn1 ZINC000790166955 1024235575 /nfs/dbraw/zinc/23/55/75/1024235575.db2.gz FVGZIHSKVCHVSS-UHFFFAOYSA-N 1 1 316.836 3.703 20 30 DHEDMO C=CCOc1ccc(CNC[C@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000066990808 1024242512 /nfs/dbraw/zinc/24/25/12/1024242512.db2.gz RIQKCBPRXQVDSN-MRXNPFEDSA-N 1 1 322.880 3.725 20 30 DHEDMO C=CCOc1ccc(CNC[C@H]2CC[N@H+](C(C)C)C2)cc1Cl ZINC000066990808 1024242527 /nfs/dbraw/zinc/24/25/27/1024242527.db2.gz RIQKCBPRXQVDSN-MRXNPFEDSA-N 1 1 322.880 3.725 20 30 DHEDMO N#Cc1ccc(C2([NH2+]Cc3cc(F)cc(F)c3O)CCC2)cc1 ZINC000883162099 1024262802 /nfs/dbraw/zinc/26/28/02/1024262802.db2.gz JPXZTTVQSOYLMV-UHFFFAOYSA-N 1 1 314.335 3.711 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1cc(C)cnc1=S ZINC000131234789 1024290141 /nfs/dbraw/zinc/29/01/41/1024290141.db2.gz HHEZVWACUHFOII-UHFFFAOYSA-N 1 1 312.442 3.662 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1cc(C)cnc1=S ZINC000131234789 1024290153 /nfs/dbraw/zinc/29/01/53/1024290153.db2.gz HHEZVWACUHFOII-UHFFFAOYSA-N 1 1 312.442 3.662 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000269688228 1024304836 /nfs/dbraw/zinc/30/48/36/1024304836.db2.gz VRLVMWVIPSNAJI-UXHICEINSA-N 1 1 324.399 3.785 20 30 DHEDMO N#CCCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453106325 1024332976 /nfs/dbraw/zinc/33/29/76/1024332976.db2.gz IQUXIXKJWDCGKQ-ZCNNSNEGSA-N 1 1 311.473 3.713 20 30 DHEDMO C#CC[N@@H+](Cc1sccc1NC(=O)OC(C)(C)C)C1CC1 ZINC000893612122 1024411947 /nfs/dbraw/zinc/41/19/47/1024411947.db2.gz NJXBQPQJGWXTNX-UHFFFAOYSA-N 1 1 306.431 3.693 20 30 DHEDMO C#CC[N@H+](Cc1sccc1NC(=O)OC(C)(C)C)C1CC1 ZINC000893612122 1024411954 /nfs/dbraw/zinc/41/19/54/1024411954.db2.gz NJXBQPQJGWXTNX-UHFFFAOYSA-N 1 1 306.431 3.693 20 30 DHEDMO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000883391070 1024425284 /nfs/dbraw/zinc/42/52/84/1024425284.db2.gz BGHVVODDHUSZJZ-UWVGGRQHSA-N 1 1 304.217 3.677 20 30 DHEDMO C#CC[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000791139821 1024448978 /nfs/dbraw/zinc/44/89/78/1024448978.db2.gz PJFXDIXYDZHOBG-LJQANCHMSA-N 1 1 312.457 3.522 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)s1)[C@@H](C)c1ccccc1 ZINC000271074999 1024454707 /nfs/dbraw/zinc/45/47/07/1024454707.db2.gz QPTIQNPJHZVRKN-AWEZNQCLSA-N 1 1 300.427 3.829 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C1CC1 ZINC001170151844 1024460704 /nfs/dbraw/zinc/46/07/04/1024460704.db2.gz ZERWAAKPWWORDH-MGPUTAFESA-N 1 1 306.409 3.817 20 30 DHEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2ccc(C#N)cn2)c1 ZINC000569235666 1024510044 /nfs/dbraw/zinc/51/00/44/1024510044.db2.gz XDWAJIRBLDEBJX-AUUYWEPGSA-N 1 1 307.397 3.545 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(NC(C)=O)c1 ZINC000101545178 1024514161 /nfs/dbraw/zinc/51/41/61/1024514161.db2.gz SHTGUZPGLUUVQQ-UHFFFAOYSA-N 1 1 324.424 3.842 20 30 DHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C3CC3)no2)c1 ZINC000877045517 1033216425 /nfs/dbraw/zinc/21/64/25/1033216425.db2.gz AZMJVFZAMODNMG-OAHLLOKOSA-N 1 1 311.385 3.523 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000075943882 1024520184 /nfs/dbraw/zinc/52/01/84/1024520184.db2.gz AFSYJTHBGPZIQZ-NRFANRHFSA-N 1 1 319.452 3.875 20 30 DHEDMO CCC[N@H+](Cc1cn2ccsc2n1)Cc1ccc(C#N)cc1 ZINC000339138997 1024573957 /nfs/dbraw/zinc/57/39/57/1024573957.db2.gz AJNQUAJXDCEGHC-UHFFFAOYSA-N 1 1 310.426 3.680 20 30 DHEDMO CCC[N@@H+](Cc1cn2ccsc2n1)Cc1ccc(C#N)cc1 ZINC000339138997 1024573963 /nfs/dbraw/zinc/57/39/63/1024573963.db2.gz AJNQUAJXDCEGHC-UHFFFAOYSA-N 1 1 310.426 3.680 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000339140514 1024574895 /nfs/dbraw/zinc/57/48/95/1024574895.db2.gz FLCIEHOFMBKUPD-HOCLYGCPSA-N 1 1 306.475 3.698 20 30 DHEDMO CC(C)C[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001168145440 1024626466 /nfs/dbraw/zinc/62/64/66/1024626466.db2.gz NCGMFSIJQAWFOD-AWEZNQCLSA-N 1 1 301.390 3.725 20 30 DHEDMO CC(C)C[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001168145440 1024626469 /nfs/dbraw/zinc/62/64/69/1024626469.db2.gz NCGMFSIJQAWFOD-AWEZNQCLSA-N 1 1 301.390 3.725 20 30 DHEDMO CCCO[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000108394233 1024638742 /nfs/dbraw/zinc/63/87/42/1024638742.db2.gz MQQZBEYYYCGCKL-QGZVFWFLSA-N 1 1 311.429 3.592 20 30 DHEDMO C[C@@H](CCCC#N)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001172496944 1033226133 /nfs/dbraw/zinc/22/61/33/1033226133.db2.gz VAIFFTBEUNRSDI-SXLOBPIMSA-N 1 1 311.473 3.665 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 ZINC001172495070 1033226339 /nfs/dbraw/zinc/22/63/39/1033226339.db2.gz MLZJZQLDYJXMSV-LMMKCTJWSA-N 1 1 313.445 3.645 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001172495038 1033226615 /nfs/dbraw/zinc/22/66/15/1033226615.db2.gz AZYIKFRJKMDJLN-QAPCUYQASA-N 1 1 321.465 3.544 20 30 DHEDMO CCc1ccc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000792232363 1024650741 /nfs/dbraw/zinc/65/07/41/1024650741.db2.gz KKFKHNYWWHKUTN-UHFFFAOYSA-N 1 1 323.415 3.582 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)cc1F ZINC000792246430 1024652466 /nfs/dbraw/zinc/65/24/66/1024652466.db2.gz IIYWSGOOXDPKSI-PMACEKPBSA-N 1 1 324.399 3.785 20 30 DHEDMO N#Cc1cccc([C@H](O)C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC001170204545 1024688679 /nfs/dbraw/zinc/68/86/79/1024688679.db2.gz DCNOULQGQZCWHL-ZWKOTPCHSA-N 1 1 312.800 3.692 20 30 DHEDMO N#Cc1cccc([C@H](O)C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC001170204545 1024688684 /nfs/dbraw/zinc/68/86/84/1024688684.db2.gz DCNOULQGQZCWHL-ZWKOTPCHSA-N 1 1 312.800 3.692 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc(OC)c(OC)cc1O ZINC000179603221 1024695550 /nfs/dbraw/zinc/69/55/50/1024695550.db2.gz OHXYVFDYWGXAII-UHFFFAOYSA-N 1 1 319.426 3.659 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1c1ccc(NCc2ccc(C#N)s2)nc1 ZINC001170200084 1024699687 /nfs/dbraw/zinc/69/96/87/1024699687.db2.gz VLJHQVARTXDSRF-MRXNPFEDSA-N 1 1 312.442 3.784 20 30 DHEDMO C=CC[C@@H](C)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000349408069 1024717584 /nfs/dbraw/zinc/71/75/84/1024717584.db2.gz FRCOQCPHSBIXSY-GDBMZVCRSA-N 1 1 315.461 3.574 20 30 DHEDMO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000279118635 1024741338 /nfs/dbraw/zinc/74/13/38/1024741338.db2.gz WRTWCOINMWZWMS-MRXNPFEDSA-N 1 1 304.777 3.624 20 30 DHEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000279118635 1024741350 /nfs/dbraw/zinc/74/13/50/1024741350.db2.gz WRTWCOINMWZWMS-MRXNPFEDSA-N 1 1 304.777 3.624 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2Cc3ccncc3C2)CC1 ZINC001170388702 1024762073 /nfs/dbraw/zinc/76/20/73/1024762073.db2.gz AFBUSGQRKCUDET-UHFFFAOYSA-N 1 1 303.409 3.801 20 30 DHEDMO CC(C)[C@@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC001170394793 1024762334 /nfs/dbraw/zinc/76/23/34/1024762334.db2.gz AOYGURYOKKYZET-GPJFCIFZSA-N 1 1 312.457 3.747 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@]3(CCCO3)C2)CC1 ZINC001170378703 1024765653 /nfs/dbraw/zinc/76/56/53/1024765653.db2.gz IQXVAGJDNBIICK-SOAGJPPSSA-N 1 1 310.441 3.645 20 30 DHEDMO Cc1nc2c(o1)CC[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170406216 1024772089 /nfs/dbraw/zinc/77/20/89/1024772089.db2.gz TWODFAIDUGYLEJ-UHFFFAOYSA-N 1 1 321.424 3.745 20 30 DHEDMO Cc1nc2c(o1)CC[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170406216 1024772092 /nfs/dbraw/zinc/77/20/92/1024772092.db2.gz TWODFAIDUGYLEJ-UHFFFAOYSA-N 1 1 321.424 3.745 20 30 DHEDMO CCCCCCC[C@H](CCC)[N@H+](C)CCN1CCN(C)CC1 ZINC001172511070 1033237974 /nfs/dbraw/zinc/23/79/74/1033237974.db2.gz MIKDRBVGNZAVIW-IBGZPJMESA-N 1 1 311.558 3.695 20 30 DHEDMO CCCCCCC[C@H](CCC)[N@@H+](C)CCN1CCN(C)CC1 ZINC001172511070 1033237983 /nfs/dbraw/zinc/23/79/83/1033237983.db2.gz MIKDRBVGNZAVIW-IBGZPJMESA-N 1 1 311.558 3.695 20 30 DHEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001172511250 1033238511 /nfs/dbraw/zinc/23/85/11/1033238511.db2.gz PFQFWBSQTUHDNM-HZPDHXFCSA-N 1 1 303.512 3.635 20 30 DHEDMO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CCCC(C)(C)C#N)n1 ZINC000350042950 1024785437 /nfs/dbraw/zinc/78/54/37/1024785437.db2.gz UTFSDHKFRQVGKO-AWEZNQCLSA-N 1 1 322.453 3.565 20 30 DHEDMO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CCCC(C)(C)C#N)n1 ZINC000350042950 1024785442 /nfs/dbraw/zinc/78/54/42/1024785442.db2.gz UTFSDHKFRQVGKO-AWEZNQCLSA-N 1 1 322.453 3.565 20 30 DHEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@H](C)C#N ZINC000792788833 1024791546 /nfs/dbraw/zinc/79/15/46/1024791546.db2.gz SEHMRYSURSTJGT-GFCCVEGCSA-N 1 1 313.367 3.753 20 30 DHEDMO CC[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C[C@H](C)C#N ZINC000792788833 1024791557 /nfs/dbraw/zinc/79/15/57/1024791557.db2.gz SEHMRYSURSTJGT-GFCCVEGCSA-N 1 1 313.367 3.753 20 30 DHEDMO N#Cc1ccccc1CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121827968 1024794610 /nfs/dbraw/zinc/79/46/10/1024794610.db2.gz HAGMQDJGHMTZMC-UHFFFAOYSA-N 1 1 311.473 3.646 20 30 DHEDMO C#CCCCCCC[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000877081368 1033234626 /nfs/dbraw/zinc/23/46/26/1033234626.db2.gz MYITVLUAWZZFLO-INIZCTEOSA-N 1 1 311.429 3.895 20 30 DHEDMO COc1ccccc1O[C@@H]1CCC[N@H+]([C@@H](C)CCCC#N)C1 ZINC001172507266 1033235071 /nfs/dbraw/zinc/23/50/71/1033235071.db2.gz RMGYHTCDELBBAU-JKSUJKDBSA-N 1 1 302.418 3.621 20 30 DHEDMO CCOC(=O)C1([N@H+](Cc2ccccc2)[C@H](C)CCCC#N)CC1 ZINC001172506159 1033235748 /nfs/dbraw/zinc/23/57/48/1033235748.db2.gz OSKKAISXLREXLB-MRXNPFEDSA-N 1 1 314.429 3.667 20 30 DHEDMO CCOC(=O)C1([N@@H+](Cc2ccccc2)[C@H](C)CCCC#N)CC1 ZINC001172506159 1033235754 /nfs/dbraw/zinc/23/57/54/1033235754.db2.gz OSKKAISXLREXLB-MRXNPFEDSA-N 1 1 314.429 3.667 20 30 DHEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC001172505426 1033235943 /nfs/dbraw/zinc/23/59/43/1033235943.db2.gz NDQGYKNUBNLATA-OALUTQOASA-N 1 1 310.526 3.922 20 30 DHEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1O ZINC000350664837 1024837835 /nfs/dbraw/zinc/83/78/35/1024837835.db2.gz XPBNAZQXGBUOMC-UHFFFAOYSA-N 1 1 324.424 3.931 20 30 DHEDMO C(#Cc1ccccc1)CNc1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC001170425695 1024893540 /nfs/dbraw/zinc/89/35/40/1024893540.db2.gz CXQABLYQNDLWBC-UHFFFAOYSA-N 1 1 301.393 3.905 20 30 DHEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@@H](CC)CCCC ZINC001275082298 1024906155 /nfs/dbraw/zinc/90/61/55/1024906155.db2.gz MJQYHISQCNMGMM-PKOBYXMFSA-N 1 1 306.494 3.846 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@@H+]2CCCCCCCCC)C1=O ZINC001275119969 1024924210 /nfs/dbraw/zinc/92/42/10/1024924210.db2.gz ZFIPZYVVYQFEQS-LJQANCHMSA-N 1 1 306.494 3.990 20 30 DHEDMO CC(C)C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000119224983 1024958510 /nfs/dbraw/zinc/95/85/10/1024958510.db2.gz SCYZSABOBFLYNZ-MRXNPFEDSA-N 1 1 324.428 3.866 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)cs1 ZINC000893688058 1024969700 /nfs/dbraw/zinc/96/97/00/1024969700.db2.gz PTKSZMQGDKQMFP-SFHVURJKSA-N 1 1 310.422 3.641 20 30 DHEDMO C[C@@H](c1cccs1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000054428982 1025049412 /nfs/dbraw/zinc/04/94/12/1025049412.db2.gz NNFCTSWYCOYBDA-ZDUSSCGKSA-N 1 1 313.426 3.641 20 30 DHEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(F)c(C#N)c1)CCC2 ZINC000120754382 1025049966 /nfs/dbraw/zinc/04/99/66/1025049966.db2.gz FHFYDMXTQJVTAI-MRXNPFEDSA-N 1 1 315.417 3.972 20 30 DHEDMO CCCCCCCCCC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000793501365 1025077240 /nfs/dbraw/zinc/07/72/40/1025077240.db2.gz RUXMSHZXGKQEKO-UHFFFAOYSA-N 1 1 305.466 3.976 20 30 DHEDMO C=CC[N@H+](Cc1ccc(-n2cncn2)cc1)CC1CCCCC1 ZINC000353574029 1025138651 /nfs/dbraw/zinc/13/86/51/1025138651.db2.gz ZDJUMFAPHNVWOC-UHFFFAOYSA-N 1 1 310.445 3.836 20 30 DHEDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)[nH]1 ZINC000353648332 1025175517 /nfs/dbraw/zinc/17/55/17/1025175517.db2.gz YSYCTTNANBAPFS-MKBNYLNASA-N 1 1 309.417 3.528 20 30 DHEDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)[nH]1 ZINC000353648331 1025176195 /nfs/dbraw/zinc/17/61/95/1025176195.db2.gz YSYCTTNANBAPFS-HWWQOWPSSA-N 1 1 309.417 3.528 20 30 DHEDMO CCCC[N@@H+](CCC#N)[C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170443675 1025238147 /nfs/dbraw/zinc/23/81/47/1025238147.db2.gz RAJGSOACJVFGOV-INIZCTEOSA-N 1 1 302.418 3.752 20 30 DHEDMO C[N@H+](CCCc1cc(-c2ccccc2)no1)C[C@@H](C#N)CCC#N ZINC000112560174 1025250081 /nfs/dbraw/zinc/25/00/81/1025250081.db2.gz KFRBYFJJVPGZAO-MRXNPFEDSA-N 1 1 322.412 3.650 20 30 DHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)C[C@@H](C#N)CCC#N ZINC000112560174 1025250091 /nfs/dbraw/zinc/25/00/91/1025250091.db2.gz KFRBYFJJVPGZAO-MRXNPFEDSA-N 1 1 322.412 3.650 20 30 DHEDMO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000385479659 1025263519 /nfs/dbraw/zinc/26/35/19/1025263519.db2.gz FOCMZCDJXQCNSJ-HNNXBMFYSA-N 1 1 307.235 3.941 20 30 DHEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000385479659 1025263532 /nfs/dbraw/zinc/26/35/32/1025263532.db2.gz FOCMZCDJXQCNSJ-HNNXBMFYSA-N 1 1 307.235 3.941 20 30 DHEDMO C=CCCCCCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000805187063 1025264762 /nfs/dbraw/zinc/26/47/62/1025264762.db2.gz DEPCMODJJKOCDI-IRXDYDNUSA-N 1 1 309.498 3.685 20 30 DHEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(C(F)(F)F)cc1 ZINC000352824872 1025277803 /nfs/dbraw/zinc/27/78/03/1025277803.db2.gz REOCHCARYOTEGA-VIFPVBQESA-N 1 1 311.332 3.884 20 30 DHEDMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001170449388 1025283020 /nfs/dbraw/zinc/28/30/20/1025283020.db2.gz LRSKRHNPMXSGIS-VQHPVUNQSA-N 1 1 312.413 3.503 20 30 DHEDMO COCc1cnc(C[NH2+][C@@H](CCCC#N)c2ccccc2)s1 ZINC000353914010 1025287506 /nfs/dbraw/zinc/28/75/06/1025287506.db2.gz JYLCIIGTCBWUEJ-INIZCTEOSA-N 1 1 315.442 3.814 20 30 DHEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](C1CCC(C)CC1)CC2 ZINC001168215017 1025326805 /nfs/dbraw/zinc/32/68/05/1025326805.db2.gz LDXXXBRPJWQFMA-FAFZWHIHSA-N 1 1 304.478 3.598 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)c(F)c1 ZINC000354118760 1025359626 /nfs/dbraw/zinc/35/96/26/1025359626.db2.gz KYFUQKCMXAOOGW-UHFFFAOYSA-N 1 1 310.372 3.815 20 30 DHEDMO C=C(CC)C[N@H+](CCC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000539118437 1033281297 /nfs/dbraw/zinc/28/12/97/1033281297.db2.gz FXVKWYYAYQIBED-UHFFFAOYSA-N 1 1 314.473 3.969 20 30 DHEDMO CCCCOc1ccc(C[NH+]2CCC(C#N)CC2)cc1OC ZINC000123740856 1025397006 /nfs/dbraw/zinc/39/70/06/1025397006.db2.gz YTAYKBNWUAHLLE-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO CC[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H](C)c1ccc(F)cc1 ZINC000885964751 1025421826 /nfs/dbraw/zinc/42/18/26/1025421826.db2.gz FMXRXEXKLASAOV-WMLDXEAASA-N 1 1 304.409 3.653 20 30 DHEDMO C=CCCCCC[N@H+]1CCC[C@@]12CCN(C1CCCC1)C2=O ZINC001275324065 1025425121 /nfs/dbraw/zinc/42/51/21/1025425121.db2.gz FOHJZGKXNPOEOZ-IBGZPJMESA-N 1 1 304.478 3.742 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1CC=C(c2ccccc2OCC)CC1 ZINC000124460549 1025430522 /nfs/dbraw/zinc/43/05/22/1025430522.db2.gz VYKFDXUDIDOROD-QGZVFWFLSA-N 1 1 301.430 3.502 20 30 DHEDMO C=CCCCCC[N@H+]1CC[C@@]2(CCN(CC3CCCC3)C2=O)C1 ZINC001275329563 1025440334 /nfs/dbraw/zinc/44/03/34/1025440334.db2.gz ZXCBSDYRAIPDIR-HXUWFJFHSA-N 1 1 318.505 3.847 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886022682 1025442533 /nfs/dbraw/zinc/44/25/33/1025442533.db2.gz IHGPWHYFLMJOLR-RVKKMQEKSA-N 1 1 316.420 3.653 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000886032978 1025445456 /nfs/dbraw/zinc/44/54/56/1025445456.db2.gz QCHJZAMBXACOSN-CVEARBPZSA-N 1 1 304.821 3.532 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)C1 ZINC000932191531 1025454657 /nfs/dbraw/zinc/45/46/57/1025454657.db2.gz MLXLYKKMIQIERX-MGPQQGTHSA-N 1 1 301.459 3.503 20 30 DHEDMO Cc1cnc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)s1 ZINC000366074652 1025469746 /nfs/dbraw/zinc/46/97/46/1025469746.db2.gz SKLYFBBSVRBRIK-CQSZACIVSA-N 1 1 315.417 3.842 20 30 DHEDMO Cc1cnc([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)s1 ZINC000366074652 1025469748 /nfs/dbraw/zinc/46/97/48/1025469748.db2.gz SKLYFBBSVRBRIK-CQSZACIVSA-N 1 1 315.417 3.842 20 30 DHEDMO CC[C@@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000127107091 1025529837 /nfs/dbraw/zinc/52/98/37/1025529837.db2.gz QVCVISXQVGSKDW-MRXNPFEDSA-N 1 1 323.440 3.860 20 30 DHEDMO COc1cc(C)cc(C[NH2+]CC2(C#N)CCCCC2)c1OC ZINC000886162506 1025538652 /nfs/dbraw/zinc/53/86/52/1025538652.db2.gz RLQFMICNFYAFIC-UHFFFAOYSA-N 1 1 302.418 3.576 20 30 DHEDMO C=CCCCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000805187061 1025551661 /nfs/dbraw/zinc/55/16/61/1025551661.db2.gz DEPCMODJJKOCDI-IAGOWNOFSA-N 1 1 309.498 3.685 20 30 DHEDMO C=CCCCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000805187059 1025551697 /nfs/dbraw/zinc/55/16/97/1025551697.db2.gz DEPCMODJJKOCDI-DLBZAZTESA-N 1 1 309.498 3.685 20 30 DHEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886207514 1025557758 /nfs/dbraw/zinc/55/77/58/1025557758.db2.gz FENJDFUWNZDGRC-AEFFLSMTSA-N 1 1 316.445 3.523 20 30 DHEDMO CC(C)[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@H](C)c1ccccc1 ZINC000886215491 1025560818 /nfs/dbraw/zinc/56/08/18/1025560818.db2.gz KYWGWVGMCMHGTE-SJLPKXTDSA-N 1 1 300.446 3.903 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886220807 1025563147 /nfs/dbraw/zinc/56/31/47/1025563147.db2.gz NDXILXDZVQIACD-NEPXVJNWSA-N 1 1 312.457 3.698 20 30 DHEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000886355437 1025601731 /nfs/dbraw/zinc/60/17/31/1025601731.db2.gz IQZNACRBLLOARO-IAGOWNOFSA-N 1 1 312.457 3.791 20 30 DHEDMO C=CCCC[C@H](C)[N@@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000539196699 1033294355 /nfs/dbraw/zinc/29/43/55/1033294355.db2.gz GUPPNURCXVFBSV-ZDUSSCGKSA-N 1 1 310.388 3.970 20 30 DHEDMO C=CCC[C@H](NC(=O)[C@H]1CCCc2[nH+]ccn21)c1ccccc1 ZINC000355159143 1025619077 /nfs/dbraw/zinc/61/90/77/1025619077.db2.gz IAVCQQVGBBSBTI-DLBZAZTESA-N 1 1 309.413 3.584 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(-n2cncn2)cc1 ZINC000355211528 1025639972 /nfs/dbraw/zinc/63/99/72/1025639972.db2.gz CQCPGPKETFMYKC-UHFFFAOYSA-N 1 1 318.424 3.846 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000355278028 1025663519 /nfs/dbraw/zinc/66/35/19/1025663519.db2.gz XOFMRZIUVGSPLH-SJLPKXTDSA-N 1 1 311.429 3.531 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805792686 1025673319 /nfs/dbraw/zinc/67/33/19/1025673319.db2.gz BZCBLNSQTSLONJ-SFHVURJKSA-N 1 1 308.466 3.676 20 30 DHEDMO COC(=O)c1cncc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000886553884 1025700796 /nfs/dbraw/zinc/70/07/96/1025700796.db2.gz XLWMBJWDEIKDQQ-RDTXWAMCSA-N 1 1 323.396 3.564 20 30 DHEDMO COC(=O)c1cncc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000886553883 1025701441 /nfs/dbraw/zinc/70/14/41/1025701441.db2.gz XLWMBJWDEIKDQQ-KSSFIOAISA-N 1 1 323.396 3.564 20 30 DHEDMO C=CCCC1(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000355373884 1025702162 /nfs/dbraw/zinc/70/21/62/1025702162.db2.gz UTXVWHJZVUZSJK-IXDOHACOSA-N 1 1 304.478 3.597 20 30 DHEDMO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Br)cn1 ZINC000355517946 1025753545 /nfs/dbraw/zinc/75/35/45/1025753545.db2.gz SVLURECMFFTFLJ-VIFPVBQESA-N 1 1 322.231 3.628 20 30 DHEDMO C=CCCCCCCCCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000806083470 1025767618 /nfs/dbraw/zinc/76/76/18/1025767618.db2.gz ZXMFGMGWTVSSAV-QZTJIDSGSA-N 1 1 321.509 3.829 20 30 DHEDMO C=CCCCCCCCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000806083472 1025769394 /nfs/dbraw/zinc/76/93/94/1025769394.db2.gz ZXMFGMGWTVSSAV-ZWKOTPCHSA-N 1 1 321.509 3.829 20 30 DHEDMO COCC[N@@H+](Cc1ccco1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159685 1025779653 /nfs/dbraw/zinc/77/96/53/1025779653.db2.gz OFTOXNWTTDBAKQ-UHFFFAOYSA-N 1 1 312.413 3.729 20 30 DHEDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168946 1025791812 /nfs/dbraw/zinc/79/18/12/1025791812.db2.gz KHZFQAXAGGNGLL-SFHVURJKSA-N 1 1 313.489 3.651 20 30 DHEDMO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC000886692453 1025798421 /nfs/dbraw/zinc/79/84/21/1025798421.db2.gz ZCNSDFXKDTYTDW-KRWDZBQOSA-N 1 1 311.454 3.778 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@@H+](CCCO)Cc2ccccc2)cc1 ZINC000614170607 1025799130 /nfs/dbraw/zinc/79/91/30/1025799130.db2.gz HPOKWUGSNKIUII-UHFFFAOYSA-N 1 1 322.452 3.872 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000614176079 1025810144 /nfs/dbraw/zinc/81/01/44/1025810144.db2.gz AKKGZBQXRUHINO-QZTJIDSGSA-N 1 1 312.457 3.736 20 30 DHEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000135247236 1025833656 /nfs/dbraw/zinc/83/36/56/1025833656.db2.gz JIYQHFUJHKWSCY-JQHSSLGASA-N 1 1 312.457 3.733 20 30 DHEDMO C[C@H]1SCC[N@@H+](CCCSCC#N)[C@H]1c1ccccc1 ZINC000080628990 1025973029 /nfs/dbraw/zinc/97/30/29/1025973029.db2.gz KJFIBFCRHHUEOP-GDBMZVCRSA-N 1 1 306.500 3.812 20 30 DHEDMO C[N@H+](CCC#N)CCCCOc1ccccc1C(F)(F)F ZINC000083218655 1025987212 /nfs/dbraw/zinc/98/72/12/1025987212.db2.gz BEEACLAKEPPEOC-UHFFFAOYSA-N 1 1 300.324 3.710 20 30 DHEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)C1 ZINC000356310081 1026020021 /nfs/dbraw/zinc/02/00/21/1026020021.db2.gz XCRQGLHESCDXGT-SMDDNHRTSA-N 1 1 312.335 3.576 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000356530921 1026075249 /nfs/dbraw/zinc/07/52/49/1026075249.db2.gz RMSINNGTOLGTRC-MOPGFXCFSA-N 1 1 313.441 3.785 20 30 DHEDMO C=CCCCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000807592557 1026095572 /nfs/dbraw/zinc/09/55/72/1026095572.db2.gz RGTHZUILKRJFBJ-MSOLQXFVSA-N 1 1 323.525 3.885 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000532968080 1026153659 /nfs/dbraw/zinc/15/36/59/1026153659.db2.gz ROHUGCXTBFIDKY-OAHLLOKOSA-N 1 1 304.434 3.700 20 30 DHEDMO N#CCSCCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000121889069 1026162174 /nfs/dbraw/zinc/16/21/74/1026162174.db2.gz ZJJZNKDUUKYWKE-HZPDHXFCSA-N 1 1 322.474 3.595 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccc2)cc1C#N ZINC000533079794 1026211150 /nfs/dbraw/zinc/21/11/50/1026211150.db2.gz IULZANJFZIAJAY-IBGZPJMESA-N 1 1 306.409 3.774 20 30 DHEDMO N#CCC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000576389464 1026273403 /nfs/dbraw/zinc/27/34/03/1026273403.db2.gz VILLETRQMYWUJU-ZDUSSCGKSA-N 1 1 301.390 3.830 20 30 DHEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1C ZINC000614397730 1026290917 /nfs/dbraw/zinc/29/09/17/1026290917.db2.gz YNGNPGGGZNKXFA-UHFFFAOYSA-N 1 1 308.381 3.618 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2OC)cc1 ZINC000120565549 1026317006 /nfs/dbraw/zinc/31/70/06/1026317006.db2.gz GLGNCJYLOKDWML-IBGZPJMESA-N 1 1 322.408 3.913 20 30 DHEDMO C[C@H]1C[C@H](CC[NH2+]Cc2ccc(C#N)o2)C[N@H+]1Cc1ccccc1 ZINC000513498925 1026527531 /nfs/dbraw/zinc/52/75/31/1026527531.db2.gz CRDFUNNXWOWTEY-WMZOPIPTSA-N 1 1 323.440 3.542 20 30 DHEDMO C#Cc1ccc(C[NH2+]Cc2coc(-c3ccc(C)cc3)n2)cc1 ZINC000809625225 1026574845 /nfs/dbraw/zinc/57/48/45/1026574845.db2.gz ZJARYNNCEPIQRQ-UHFFFAOYSA-N 1 1 302.377 3.921 20 30 DHEDMO C#Cc1ccc(CN[C@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000809663862 1026590147 /nfs/dbraw/zinc/59/01/47/1026590147.db2.gz WBGDQUZHXQLDOF-LJQANCHMSA-N 1 1 312.844 3.714 20 30 DHEDMO C#CC[N@H+](C[C@H]1CCC[C@H](C(F)(F)F)O1)C1CCCCC1 ZINC001307445233 1026651607 /nfs/dbraw/zinc/65/16/07/1026651607.db2.gz WGMCFIUMLXTNPI-HUUCEWRRSA-N 1 1 303.368 3.754 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000353162512 1026830377 /nfs/dbraw/zinc/83/03/77/1026830377.db2.gz JYDFIUAMKFUDIE-UHFFFAOYSA-N 1 1 320.234 3.643 20 30 DHEDMO C=CCC[C@H](C(=O)O[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000810841852 1026866282 /nfs/dbraw/zinc/86/62/82/1026866282.db2.gz OAGTYUSQKBKOMW-FHWLQOOXSA-N 1 1 313.441 3.906 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@]23CCOC3)cc1 ZINC000421019893 1026919777 /nfs/dbraw/zinc/91/97/77/1026919777.db2.gz MXYCEDXCCFHRIL-FQEVSTJZSA-N 1 1 304.393 3.590 20 30 DHEDMO Cc1c(Cl)c(C[NH2+][C@@H](CCCC#N)c2ccccc2)nn1C ZINC000421378609 1026970325 /nfs/dbraw/zinc/97/03/25/1026970325.db2.gz HKZBIOLVQISUQR-HNNXBMFYSA-N 1 1 316.836 3.907 20 30 DHEDMO CC(C)C[C@@H](C[N@H+](C[C@H](C)C#N)C1CC1)NC(=O)OC(C)(C)C ZINC000811465825 1027007788 /nfs/dbraw/zinc/00/77/88/1027007788.db2.gz OUTLFPPAUVQHKL-CABCVRRESA-N 1 1 323.481 3.550 20 30 DHEDMO CC(C)C[C@@H](C[N@@H+](C[C@H](C)C#N)C1CC1)NC(=O)OC(C)(C)C ZINC000811465825 1027007790 /nfs/dbraw/zinc/00/77/90/1027007790.db2.gz OUTLFPPAUVQHKL-CABCVRRESA-N 1 1 323.481 3.550 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(N(C)CC)nc1)c1ccc(Cl)cc1 ZINC000811517097 1027018119 /nfs/dbraw/zinc/01/81/19/1027018119.db2.gz HXYWEDAFZRVRBH-QGZVFWFLSA-N 1 1 313.832 3.655 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1cc(OC)cc(OC)c1)c1ccc(Cl)cc1 ZINC000811517030 1027018917 /nfs/dbraw/zinc/01/89/17/1027018917.db2.gz GBYLWWAPIIDUEJ-GOSISDBHSA-N 1 1 315.800 3.821 20 30 DHEDMO CC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@H]1CCOC(C)(C)C1 ZINC000811511850 1027026801 /nfs/dbraw/zinc/02/68/01/1027026801.db2.gz VZUAHKOKGHFVAN-RDJZCZTQSA-N 1 1 316.445 3.757 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000811512158 1027027752 /nfs/dbraw/zinc/02/77/52/1027027752.db2.gz FGUUCCMAUMDGBH-GFCCVEGCSA-N 1 1 313.775 3.829 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000811512158 1027027757 /nfs/dbraw/zinc/02/77/57/1027027757.db2.gz FGUUCCMAUMDGBH-GFCCVEGCSA-N 1 1 313.775 3.829 20 30 DHEDMO Cc1[nH+]ccn1-c1ncccc1CNc1cc(Cl)ccc1C#N ZINC000811825483 1027105790 /nfs/dbraw/zinc/10/57/90/1027105790.db2.gz JYRCOFXHSHMNDL-UHFFFAOYSA-N 1 1 323.787 3.713 20 30 DHEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(CF)CC2)c1 ZINC000295127856 1027107599 /nfs/dbraw/zinc/10/75/99/1027107599.db2.gz KQYFHYNNMNEXFH-UHFFFAOYSA-N 1 1 311.198 3.502 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(F)c(C)c1 ZINC000571208366 1027109502 /nfs/dbraw/zinc/10/95/02/1027109502.db2.gz VJKMBULRGXDSDH-UHFFFAOYSA-N 1 1 303.377 3.798 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(F)c(C)c1 ZINC000571208366 1027109509 /nfs/dbraw/zinc/10/95/09/1027109509.db2.gz VJKMBULRGXDSDH-UHFFFAOYSA-N 1 1 303.377 3.798 20 30 DHEDMO COCC[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CC=CCC1 ZINC000362248247 1027115795 /nfs/dbraw/zinc/11/57/95/1027115795.db2.gz GBBQBJMNTKJNAC-HNNXBMFYSA-N 1 1 302.393 3.502 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000561960532 1027145027 /nfs/dbraw/zinc/14/50/27/1027145027.db2.gz ASXGGRGUXLNMOW-GDBMZVCRSA-N 1 1 320.502 3.944 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000561960532 1027145031 /nfs/dbraw/zinc/14/50/31/1027145031.db2.gz ASXGGRGUXLNMOW-GDBMZVCRSA-N 1 1 320.502 3.944 20 30 DHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CCOc2cccc(C#N)c2)C1 ZINC000362384819 1027175211 /nfs/dbraw/zinc/17/52/11/1027175211.db2.gz MFYGYHNWVJWQRO-NVXWUHKLSA-N 1 1 304.459 3.543 20 30 DHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CCOc2cccc(C#N)c2)C1 ZINC000362384821 1027175254 /nfs/dbraw/zinc/17/52/54/1027175254.db2.gz MFYGYHNWVJWQRO-WBVHZDCISA-N 1 1 304.459 3.543 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)s1 ZINC000362388593 1027179017 /nfs/dbraw/zinc/17/90/17/1027179017.db2.gz HBESCZQFYKRYJC-ROUUACIJSA-N 1 1 312.438 3.708 20 30 DHEDMO C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC[C@@H](C(F)(F)F)O1 ZINC000931615395 1027189340 /nfs/dbraw/zinc/18/93/40/1027189340.db2.gz AOHPSXBLAWIRJD-KBPBESRZSA-N 1 1 318.383 3.892 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@H]1C1CC1 ZINC000931849109 1027277053 /nfs/dbraw/zinc/27/70/53/1027277053.db2.gz VMCNGNYDZQETFK-JKSUJKDBSA-N 1 1 320.477 3.616 20 30 DHEDMO Cc1ccc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1C#N ZINC000931908742 1027295557 /nfs/dbraw/zinc/29/55/57/1027295557.db2.gz BNBSRQRXMNXWCQ-CQSZACIVSA-N 1 1 312.310 3.733 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000931903446 1027297819 /nfs/dbraw/zinc/29/78/19/1027297819.db2.gz MGZYQACDHDOBKX-DQLDELGASA-N 1 1 318.420 3.519 20 30 DHEDMO FC(F)(F)SCC[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931910724 1027299389 /nfs/dbraw/zinc/29/93/89/1027299389.db2.gz SEYCEZNJTVMKRO-SSDOTTSWSA-N 1 1 311.266 3.606 20 30 DHEDMO Cc1c(C#N)c(N2CCC(c3[nH]cc[nH+]3)CC2)nc2ccccc12 ZINC000295491163 1027300520 /nfs/dbraw/zinc/30/05/20/1027300520.db2.gz JZNKVPXSHVHCCG-UHFFFAOYSA-N 1 1 317.396 3.522 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931913898 1027305276 /nfs/dbraw/zinc/30/52/76/1027305276.db2.gz QCARXDMMJNKBPR-RISCZKNCSA-N 1 1 312.310 3.986 20 30 DHEDMO COc1cc2c(cc1OC)C1(CCC1)[N@@H+](CCCCC#N)CC2 ZINC000932088339 1027361166 /nfs/dbraw/zinc/36/11/66/1027361166.db2.gz VJZWCFWQDJKRQI-UHFFFAOYSA-N 1 1 314.429 3.635 20 30 DHEDMO C=CCC[C@@H](N[C@@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423004890 1027392004 /nfs/dbraw/zinc/39/20/04/1027392004.db2.gz QENFONUPCLUZRQ-BLLLJJGKSA-N 1 1 312.379 3.910 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932202094 1027411046 /nfs/dbraw/zinc/41/10/46/1027411046.db2.gz UGHZBLSNCBYJOK-CYBMUJFWSA-N 1 1 315.417 3.609 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932202094 1027411056 /nfs/dbraw/zinc/41/10/56/1027411056.db2.gz UGHZBLSNCBYJOK-CYBMUJFWSA-N 1 1 315.417 3.609 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(Cl)c1)c1ccc(F)cc1 ZINC000812793522 1027420499 /nfs/dbraw/zinc/42/04/99/1027420499.db2.gz YDVKUWBCPSGAOK-INIZCTEOSA-N 1 1 303.764 3.952 20 30 DHEDMO C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000932275408 1027437257 /nfs/dbraw/zinc/43/72/57/1027437257.db2.gz PGDYTZQCGRORCF-QRQLOZEOSA-N 1 1 312.457 3.699 20 30 DHEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812849605 1027446565 /nfs/dbraw/zinc/44/65/65/1027446565.db2.gz OSCRPMFIEHLUKA-JXFKEZNVSA-N 1 1 311.400 3.621 20 30 DHEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812852272 1027449924 /nfs/dbraw/zinc/44/99/24/1027449924.db2.gz FGMSIDMWRNGDTN-AUUYWEPGSA-N 1 1 312.388 3.641 20 30 DHEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812852275 1027450305 /nfs/dbraw/zinc/45/03/05/1027450305.db2.gz FGMSIDMWRNGDTN-LIRRHRJNSA-N 1 1 312.388 3.641 20 30 DHEDMO Cc1cc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)ccc1C#N ZINC000362956543 1027463572 /nfs/dbraw/zinc/46/35/72/1027463572.db2.gz AEGKRPIXEGPJGL-UHFFFAOYSA-N 1 1 304.393 3.862 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+](Cc1ccccn1)CC(C)C ZINC000932450356 1027502187 /nfs/dbraw/zinc/50/21/87/1027502187.db2.gz ZTDIBJMGEURERP-UHFFFAOYSA-N 1 1 309.413 3.620 20 30 DHEDMO Cc1ccc(NCc2cccc(OCCCC#N)c2)c(N(C)C)[nH+]1 ZINC000158407452 1027514049 /nfs/dbraw/zinc/51/40/49/1027514049.db2.gz MXVYUFXITLRHBD-UHFFFAOYSA-N 1 1 324.428 3.751 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](CN[C@H](C)c1ccncc1F)C(C)C ZINC000575939604 1027532417 /nfs/dbraw/zinc/53/24/17/1027532417.db2.gz ATHLTWGBRMPUIY-CRAIPNDOSA-N 1 1 305.441 3.570 20 30 DHEDMO C=C[C@H](CC(=O)N1CCC[N@H+](CC(C)C)CC1)c1ccccc1 ZINC000363163520 1027543331 /nfs/dbraw/zinc/54/33/31/1027543331.db2.gz YFYCRBCFWAWBGN-GOSISDBHSA-N 1 1 314.473 3.537 20 30 DHEDMO C=CC[N@H+](Cc1c(C)nsc1C)Cc1ccc(OC)cc1 ZINC000576097014 1027563000 /nfs/dbraw/zinc/56/30/00/1027563000.db2.gz AXKJGUGYRLOVAO-UHFFFAOYSA-N 1 1 302.443 3.957 20 30 DHEDMO C=CC[N@@H+](Cc1c(C)nsc1C)Cc1ccc(OC)cc1 ZINC000576097014 1027563018 /nfs/dbraw/zinc/56/30/18/1027563018.db2.gz AXKJGUGYRLOVAO-UHFFFAOYSA-N 1 1 302.443 3.957 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+](C)[C@H]2CCC(C)(C)C2)c(C#N)c1C ZINC000361468457 1027591314 /nfs/dbraw/zinc/59/13/14/1027591314.db2.gz GPHXHRVRCCVECU-ZDUSSCGKSA-N 1 1 319.474 3.686 20 30 DHEDMO C[C@@H]1C[C@H](Nc2cc(C#N)ccc2C(F)(F)F)C[N@H+]1C1CC1 ZINC000576512715 1027627010 /nfs/dbraw/zinc/62/70/10/1027627010.db2.gz JQZMZWQGAKNSTJ-PWSUYJOCSA-N 1 1 309.335 3.614 20 30 DHEDMO C[C@]1(Cc2cccs2)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000932924249 1027652747 /nfs/dbraw/zinc/65/27/47/1027652747.db2.gz YAKAPMOOGLEWMX-DOTOQJQBSA-N 1 1 318.486 3.590 20 30 DHEDMO C=CCN1c2ccccc2[C@@]2(CC[N@H+](CCC/C=C\CC)C2)C1=O ZINC001275845530 1027700798 /nfs/dbraw/zinc/70/07/98/1027700798.db2.gz YBASZFPSFIIEKQ-RMUOZIPVSA-N 1 1 324.468 3.909 20 30 DHEDMO CC(C)c1nccn1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000363641479 1027707631 /nfs/dbraw/zinc/70/76/31/1027707631.db2.gz OJDHYBAMTGFIAF-GOSISDBHSA-N 1 1 308.429 3.543 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+]1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000363664521 1027715677 /nfs/dbraw/zinc/71/56/77/1027715677.db2.gz JODHUMNTJCKTMM-UHFFFAOYSA-N 1 1 308.429 3.982 20 30 DHEDMO N#Cc1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000047880527 1027723355 /nfs/dbraw/zinc/72/33/55/1027723355.db2.gz OARSMKLBECKWPF-UHFFFAOYSA-N 1 1 311.816 3.534 20 30 DHEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1CCC(C)=C[C@@H]1C ZINC001275852627 1027726089 /nfs/dbraw/zinc/72/60/89/1027726089.db2.gz JRYMLGNPYLVQHY-WJFTUGDTSA-N 1 1 316.489 3.620 20 30 DHEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1CCC(C)=C[C@@H]1C ZINC001275852625 1027726906 /nfs/dbraw/zinc/72/69/06/1027726906.db2.gz JRYMLGNPYLVQHY-INDMIFKZSA-N 1 1 316.489 3.620 20 30 DHEDMO C=CC1(CC(=O)NCCCCn2cc[nH+]c2C)CCCCC1 ZINC000933451569 1027736801 /nfs/dbraw/zinc/73/68/01/1027736801.db2.gz NKVDLEMLBCITNJ-UHFFFAOYSA-N 1 1 303.450 3.615 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)NC[C@@H](C)C[NH+](C)C)cc1 ZINC000813878181 1027747215 /nfs/dbraw/zinc/74/72/15/1027747215.db2.gz LEOHQYGGINFWQI-UKRRQHHQSA-N 1 1 310.869 3.666 20 30 DHEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2c2nccs2)c1 ZINC000363863435 1027763930 /nfs/dbraw/zinc/76/39/30/1027763930.db2.gz UMOUTBRHKAGVPI-INIZCTEOSA-N 1 1 313.426 3.621 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC000363863435 1027763954 /nfs/dbraw/zinc/76/39/54/1027763954.db2.gz UMOUTBRHKAGVPI-INIZCTEOSA-N 1 1 313.426 3.621 20 30 DHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2CC#Cc2ccccc2)c1 ZINC000577454302 1027775245 /nfs/dbraw/zinc/77/52/45/1027775245.db2.gz LOIJZJNIYJNIDT-FQEVSTJZSA-N 1 1 305.421 3.754 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@H+](CC[C@H]3CCCC3(F)F)CCO2)cc1 ZINC000933629456 1027781026 /nfs/dbraw/zinc/78/10/26/1027781026.db2.gz BXZLPPRBXJKUIU-IAGOWNOFSA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)CCO2)cc1 ZINC000933629456 1027781039 /nfs/dbraw/zinc/78/10/39/1027781039.db2.gz BXZLPPRBXJKUIU-IAGOWNOFSA-N 1 1 320.383 3.757 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+](CCC3CCCC3)CC2)C1=O ZINC001275900201 1027817306 /nfs/dbraw/zinc/81/73/06/1027817306.db2.gz TWSZZETUFRBSKY-FQEVSTJZSA-N 1 1 318.505 3.847 20 30 DHEDMO CC[C@@H](c1ccc(-c2ccc(C#N)s2)cc1)[NH+]1CCNCC1 ZINC000600773799 1027822024 /nfs/dbraw/zinc/82/20/24/1027822024.db2.gz DLSJTVWCDLRQAO-KRWDZBQOSA-N 1 1 311.454 3.643 20 30 DHEDMO C=C(C)CN(CC)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000934070684 1027897455 /nfs/dbraw/zinc/89/74/55/1027897455.db2.gz KRYLLEPOLOWWGI-UHFFFAOYSA-N 1 1 302.422 3.502 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000298258651 1027899278 /nfs/dbraw/zinc/89/92/78/1027899278.db2.gz VGEPEBNRSNRKTK-CQSZACIVSA-N 1 1 324.380 3.687 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000298258651 1027899298 /nfs/dbraw/zinc/89/92/98/1027899298.db2.gz VGEPEBNRSNRKTK-CQSZACIVSA-N 1 1 324.380 3.687 20 30 DHEDMO CC(C)c1ccc(C[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000007905796 1027900256 /nfs/dbraw/zinc/90/02/56/1027900256.db2.gz ASXBAPCDFUMDCH-UHFFFAOYSA-N 1 1 321.424 3.752 20 30 DHEDMO CC(C)c1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000007905796 1027900268 /nfs/dbraw/zinc/90/02/68/1027900268.db2.gz ASXBAPCDFUMDCH-UHFFFAOYSA-N 1 1 321.424 3.752 20 30 DHEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000934460667 1028009738 /nfs/dbraw/zinc/00/97/38/1028009738.db2.gz NJQSQZPOILTCIP-PWSUYJOCSA-N 1 1 302.447 3.602 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000934460667 1028009754 /nfs/dbraw/zinc/00/97/54/1028009754.db2.gz NJQSQZPOILTCIP-PWSUYJOCSA-N 1 1 302.447 3.602 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000934470867 1028010885 /nfs/dbraw/zinc/01/08/85/1028010885.db2.gz GJHXQNHAWGQELL-CYBMUJFWSA-N 1 1 315.442 3.827 20 30 DHEDMO C=CC[C@@H]1CC[N@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000934470867 1028010900 /nfs/dbraw/zinc/01/09/00/1028010900.db2.gz GJHXQNHAWGQELL-CYBMUJFWSA-N 1 1 315.442 3.827 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000934464925 1028011235 /nfs/dbraw/zinc/01/12/35/1028011235.db2.gz IMHSXODWDULRKZ-QGZVFWFLSA-N 1 1 306.409 3.943 20 30 DHEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000934464925 1028011254 /nfs/dbraw/zinc/01/12/54/1028011254.db2.gz IMHSXODWDULRKZ-QGZVFWFLSA-N 1 1 306.409 3.943 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000934468311 1028011381 /nfs/dbraw/zinc/01/13/81/1028011381.db2.gz BQQAILCAGXKQDW-CQSZACIVSA-N 1 1 303.793 3.583 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1c(Cl)cccc1Cl ZINC000934466479 1028012707 /nfs/dbraw/zinc/01/27/07/1028012707.db2.gz LCRIGXIKRWRTNJ-LLVKDONJSA-N 1 1 313.228 3.972 20 30 DHEDMO C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000448719493 1028013723 /nfs/dbraw/zinc/01/37/23/1028013723.db2.gz JUARXXNIUZCNDI-CLCXKQKWSA-N 1 1 311.429 3.549 20 30 DHEDMO C#C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000934513748 1028026937 /nfs/dbraw/zinc/02/69/37/1028026937.db2.gz CJAVAPHNLRWHPJ-ZDUSSCGKSA-N 1 1 324.346 3.522 20 30 DHEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cnn(CC2CCC2)c1 ZINC000934552476 1028034293 /nfs/dbraw/zinc/03/42/93/1028034293.db2.gz PPNYBKJBSCHIKS-ZDUSSCGKSA-N 1 1 312.392 3.545 20 30 DHEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cnn(CC2CCC2)c1 ZINC000934561201 1028039471 /nfs/dbraw/zinc/03/94/71/1028039471.db2.gz CPDNNQYQEFYTPJ-ZDUSSCGKSA-N 1 1 312.392 3.545 20 30 DHEDMO C=CCCC[N@H+](CC)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000934647106 1028066187 /nfs/dbraw/zinc/06/61/87/1028066187.db2.gz ZZIYYYGTUKAVEB-UHFFFAOYSA-N 1 1 317.458 3.674 20 30 DHEDMO COc1cccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3CCCC#N)n2)c1 ZINC000366370295 1028078560 /nfs/dbraw/zinc/07/85/60/1028078560.db2.gz FZTQXJXSGDVILF-KRWDZBQOSA-N 1 1 310.401 3.526 20 30 DHEDMO COc1cccc(-c2c[nH]c([C@@H]3CCC[N@H+]3CCCC#N)n2)c1 ZINC000366370295 1028078580 /nfs/dbraw/zinc/07/85/80/1028078580.db2.gz FZTQXJXSGDVILF-KRWDZBQOSA-N 1 1 310.401 3.526 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000934876311 1028135467 /nfs/dbraw/zinc/13/54/67/1028135467.db2.gz MVYVFNUSVQRWMI-CRAIPNDOSA-N 1 1 315.461 3.914 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000934877736 1028135948 /nfs/dbraw/zinc/13/59/48/1028135948.db2.gz SORFCGMPDNUBJN-PBHICJAKSA-N 1 1 301.434 3.666 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000814642831 1028144948 /nfs/dbraw/zinc/14/49/48/1028144948.db2.gz SNPRHCCJSGCKKZ-IBGZPJMESA-N 1 1 306.409 3.969 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H](O)c3ccccc3F)CC2)cc1 ZINC000367209492 1028147883 /nfs/dbraw/zinc/14/78/83/1028147883.db2.gz QWGGCCRMRUEQLH-HXUWFJFHSA-N 1 1 322.383 3.520 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814674939 1028148604 /nfs/dbraw/zinc/14/86/04/1028148604.db2.gz ZFUASAWMNZOMNW-CVEARBPZSA-N 1 1 308.466 3.532 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000578623022 1028196106 /nfs/dbraw/zinc/19/61/06/1028196106.db2.gz JDENFAQUTYTSJG-AEFFLSMTSA-N 1 1 303.833 3.583 20 30 DHEDMO Cc1ccc(CCC[N@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC001170768820 1028235725 /nfs/dbraw/zinc/23/57/25/1028235725.db2.gz HPMFWRUUYLBNHZ-UHFFFAOYSA-N 1 1 322.452 3.948 20 30 DHEDMO C=C[C@H](CC)CC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000935285654 1028237082 /nfs/dbraw/zinc/23/70/82/1028237082.db2.gz BSEGXKBKBWHGLF-SCTDSRPQSA-N 1 1 314.473 3.616 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C)cc1OC ZINC000449012466 1028243558 /nfs/dbraw/zinc/24/35/58/1028243558.db2.gz CTZKXVQAUYUPRE-UHFFFAOYSA-N 1 1 324.424 3.524 20 30 DHEDMO Fc1ccc(F)c(CN[NH+]=C2CC[C@@H]3CNc4cccc2c43)c1 ZINC000814872480 1028255807 /nfs/dbraw/zinc/25/58/07/1028255807.db2.gz OFQHIWSXBDKEJT-LLVKDONJSA-N 1 1 313.351 3.762 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](Cc3cccc4ccoc43)CCO2)c1 ZINC000449040689 1028287847 /nfs/dbraw/zinc/28/78/47/1028287847.db2.gz JKLYCQPEBHMNDW-IBGZPJMESA-N 1 1 318.376 3.878 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cccc4ccoc43)CCO2)c1 ZINC000449040689 1028287862 /nfs/dbraw/zinc/28/78/62/1028287862.db2.gz JKLYCQPEBHMNDW-IBGZPJMESA-N 1 1 318.376 3.878 20 30 DHEDMO CC(=[NH+]N[C@H](C)COc1ccccc1)c1ccc(Cl)c(N)c1 ZINC000814935758 1028292848 /nfs/dbraw/zinc/29/28/48/1028292848.db2.gz RBSAEUDRLJGRIL-GFCCVEGCSA-N 1 1 317.820 3.703 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)s1 ZINC000368226458 1028322091 /nfs/dbraw/zinc/32/20/91/1028322091.db2.gz KPKUNNXQMLVBMB-GOSISDBHSA-N 1 1 310.422 3.589 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1cccc2ccccc21 ZINC000815010261 1028326953 /nfs/dbraw/zinc/32/69/53/1028326953.db2.gz RAOIXIHNTONFOK-NRFANRHFSA-N 1 1 316.404 3.877 20 30 DHEDMO C=CC[N@H+](CCc1ncc(C)cc1C)Cc1cccc(C#N)c1 ZINC000579116076 1028327140 /nfs/dbraw/zinc/32/71/40/1028327140.db2.gz FBNCDTMLQWXNGR-UHFFFAOYSA-N 1 1 305.425 3.801 20 30 DHEDMO C=CCCCC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000579363992 1028393792 /nfs/dbraw/zinc/39/37/92/1028393792.db2.gz ORLJZCVEPNAHBM-INIZCTEOSA-N 1 1 320.502 3.693 20 30 DHEDMO C=C[C@@H](CC)CC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000935794120 1028398641 /nfs/dbraw/zinc/39/86/41/1028398641.db2.gz HYLGTVLQOJFHEI-PXNSSMCTSA-N 1 1 314.473 3.617 20 30 DHEDMO CC(C)C[N@@H+]1CCCC[C@H]1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000579532833 1028429815 /nfs/dbraw/zinc/42/98/15/1028429815.db2.gz DDKIPVXYYJBGEZ-AZUAARDMSA-N 1 1 311.473 3.646 20 30 DHEDMO CC(C)C[N@H+]1CCCC[C@H]1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000579532833 1028429824 /nfs/dbraw/zinc/42/98/24/1028429824.db2.gz DDKIPVXYYJBGEZ-AZUAARDMSA-N 1 1 311.473 3.646 20 30 DHEDMO CC(C)c1nccn1[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000369032904 1028436310 /nfs/dbraw/zinc/43/63/10/1028436310.db2.gz SZEKWWYKXLDWCI-SFHVURJKSA-N 1 1 308.429 3.715 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cccnc1C(F)(F)F ZINC000528440860 1028440169 /nfs/dbraw/zinc/44/01/69/1028440169.db2.gz SJVLMZCSWJYFIF-UHFFFAOYSA-N 1 1 310.319 3.924 20 30 DHEDMO C=C(C)COCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815595967 1028562130 /nfs/dbraw/zinc/56/21/30/1028562130.db2.gz HGQCORGPWRSZFC-NSHDSACASA-N 1 1 303.324 3.654 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)nc1 ZINC000565312204 1028571169 /nfs/dbraw/zinc/57/11/69/1028571169.db2.gz PDNKRPDHCQVOFN-MRXNPFEDSA-N 1 1 309.388 3.862 20 30 DHEDMO C#CC[N@@H+](C)CCCN[C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000815652887 1028593973 /nfs/dbraw/zinc/59/39/73/1028593973.db2.gz YYJIJKSLPVQHKB-CYBMUJFWSA-N 1 1 304.821 3.692 20 30 DHEDMO C#CC[N@H+](C)CCCN[C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000815652887 1028593983 /nfs/dbraw/zinc/59/39/83/1028593983.db2.gz YYJIJKSLPVQHKB-CYBMUJFWSA-N 1 1 304.821 3.692 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000566241568 1028692014 /nfs/dbraw/zinc/69/20/14/1028692014.db2.gz FKWGUCKPDKCWFI-ROUUACIJSA-N 1 1 301.430 3.642 20 30 DHEDMO CO[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)CC1(C)C ZINC000449500837 1028717030 /nfs/dbraw/zinc/71/70/30/1028717030.db2.gz OEHZBGFOIDXPCC-GOSISDBHSA-N 1 1 316.445 3.616 20 30 DHEDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000371478690 1028723036 /nfs/dbraw/zinc/72/30/36/1028723036.db2.gz YUSKNSZRFOTFSB-RTBURBONSA-N 1 1 322.408 3.673 20 30 DHEDMO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000528744461 1028751838 /nfs/dbraw/zinc/75/18/38/1028751838.db2.gz LJHUUQNASFVXMC-OAHLLOKOSA-N 1 1 315.417 3.922 20 30 DHEDMO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000566805595 1028784604 /nfs/dbraw/zinc/78/46/04/1028784604.db2.gz RWUGQFCCUWSLOE-YQQAZPJKSA-N 1 1 323.440 3.687 20 30 DHEDMO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)o2)c2ccc(F)cc2O1 ZINC000371981433 1028785671 /nfs/dbraw/zinc/78/56/71/1028785671.db2.gz XBOASKLRDFZPNJ-OAHLLOKOSA-N 1 1 300.333 3.682 20 30 DHEDMO C[N@@H+]1CC[C@H](NCC#Cc2ccccc2Cl)[C@@H]1c1ccccc1 ZINC000566884115 1028796689 /nfs/dbraw/zinc/79/66/89/1028796689.db2.gz DECFDSYUFZWWDV-PMACEKPBSA-N 1 1 324.855 3.727 20 30 DHEDMO C[N@H+]1CC[C@H](NCC#Cc2ccccc2Cl)[C@@H]1c1ccccc1 ZINC000566884115 1028796705 /nfs/dbraw/zinc/79/67/05/1028796705.db2.gz DECFDSYUFZWWDV-PMACEKPBSA-N 1 1 324.855 3.727 20 30 DHEDMO C=CCCO[C@H](C)C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000372585976 1028874965 /nfs/dbraw/zinc/87/49/65/1028874965.db2.gz SEYKOOAHGNBYGN-OAHLLOKOSA-N 1 1 316.445 3.578 20 30 DHEDMO C[C@@H]1[C@H](OC(=O)CC(C)(C)C#N)CCC[N@H+]1Cc1ccccc1 ZINC000816472108 1028903204 /nfs/dbraw/zinc/90/32/04/1028903204.db2.gz VAECWTOVMCITNE-NVXWUHKLSA-N 1 1 314.429 3.523 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000372937365 1028922387 /nfs/dbraw/zinc/92/23/87/1028922387.db2.gz ZEIPDHNABHSHOZ-AWEZNQCLSA-N 1 1 307.372 3.943 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000567718806 1028942308 /nfs/dbraw/zinc/94/23/08/1028942308.db2.gz UHGAZVYGKFUMHT-OAHLLOKOSA-N 1 1 318.829 3.926 20 30 DHEDMO COc1ncc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1Cl ZINC000567727844 1028945680 /nfs/dbraw/zinc/94/56/80/1028945680.db2.gz IBYQAXCJBVBFSD-LBPRGKRZSA-N 1 1 315.804 3.808 20 30 DHEDMO C=CCC(F)(F)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000816565561 1028948595 /nfs/dbraw/zinc/94/85/95/1028948595.db2.gz SZTFBFAKBKOOQL-UHFFFAOYSA-N 1 1 302.752 3.552 20 30 DHEDMO Cc1cc(C)c(C#N)c(N2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)n1 ZINC000373087674 1028948627 /nfs/dbraw/zinc/94/86/27/1028948627.db2.gz MTNCYEWPGFTOKB-MRXNPFEDSA-N 1 1 323.444 3.732 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccccc1-c1ccnn1C ZINC000816610108 1028961396 /nfs/dbraw/zinc/96/13/96/1028961396.db2.gz YDIVHCKKTWARGA-UHFFFAOYSA-N 1 1 315.420 3.723 20 30 DHEDMO C[C@]1(CO)CCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000567860803 1028967742 /nfs/dbraw/zinc/96/77/42/1028967742.db2.gz GBLPZRDGUFTKCD-HXUWFJFHSA-N 1 1 306.409 3.572 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)[C@H]1C ZINC000816647780 1028975461 /nfs/dbraw/zinc/97/54/61/1028975461.db2.gz YAYDEQNEWCLTFL-HOTGVXAUSA-N 1 1 306.409 3.977 20 30 DHEDMO COC[C@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000449771722 1028983572 /nfs/dbraw/zinc/98/35/72/1028983572.db2.gz FYLCAFSHVGBOFR-KRWDZBQOSA-N 1 1 316.445 3.618 20 30 DHEDMO C=CCCCCC[N@H+]1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000373277625 1028996820 /nfs/dbraw/zinc/99/68/20/1028996820.db2.gz HUAQQHMHQKESKQ-INIZCTEOSA-N 1 1 302.466 3.888 20 30 DHEDMO C[C@H](CCC#N)[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000411254824 1029081138 /nfs/dbraw/zinc/08/11/38/1029081138.db2.gz OJROHQWXUIDAIS-CQSZACIVSA-N 1 1 314.408 3.772 20 30 DHEDMO CC1(C)[C@H](c2ccccc2)CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000817297890 1029118681 /nfs/dbraw/zinc/11/86/81/1029118681.db2.gz XGGDBQFVWWSPSZ-VQTJNVASSA-N 1 1 320.436 3.860 20 30 DHEDMO Cc1cnccc1CC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000568877037 1029139202 /nfs/dbraw/zinc/13/92/02/1029139202.db2.gz NGEVOTFQBWRWHQ-VQTJNVASSA-N 1 1 305.425 3.704 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)N1CCCCC1)c1ccc(F)c(F)c1 ZINC000411551797 1029156135 /nfs/dbraw/zinc/15/61/35/1029156135.db2.gz OEAYGYBNELOLQM-CXAGYDPISA-N 1 1 322.399 3.573 20 30 DHEDMO CC[C@@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)c1ccc(C#N)cc1 ZINC000373924478 1029170324 /nfs/dbraw/zinc/17/03/24/1029170324.db2.gz SDCRGEWKZFHOGC-RHSMWYFYSA-N 1 1 323.444 3.678 20 30 DHEDMO N#C[C@@H]1CC=C(Nc2c[nH+]c3ccc(Br)cn23)CC1 ZINC001212855813 1029177588 /nfs/dbraw/zinc/17/75/88/1029177588.db2.gz DEFLONVWAUDPGX-SNVBAGLBSA-N 1 1 317.190 3.716 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411716237 1029187875 /nfs/dbraw/zinc/18/78/75/1029187875.db2.gz FOJJHOLYHMPICN-RBUKOAKNSA-N 1 1 315.388 3.845 20 30 DHEDMO C[C@H](CCC#N)[N@@H+]1CCC[C@@]2(CCCN([C@@H](C)CCC#N)C2)C1 ZINC000411758790 1029204202 /nfs/dbraw/zinc/20/42/02/1029204202.db2.gz VJNKWVFBVBVHJO-CEXWTWQISA-N 1 1 316.493 3.549 20 30 DHEDMO C[C@H](CCC#N)N1CCC[C@@]2(CCC[N@H+]([C@@H](C)CCC#N)C2)C1 ZINC000411758790 1029204191 /nfs/dbraw/zinc/20/41/91/1029204191.db2.gz VJNKWVFBVBVHJO-CEXWTWQISA-N 1 1 316.493 3.549 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@]2(CCCN([C@@H](C)CCC#N)C2)C1 ZINC000411758790 1029204215 /nfs/dbraw/zinc/20/42/15/1029204215.db2.gz VJNKWVFBVBVHJO-CEXWTWQISA-N 1 1 316.493 3.549 20 30 DHEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CCCCC1 ZINC000450101761 1029211801 /nfs/dbraw/zinc/21/18/01/1029211801.db2.gz DTERQSGYZPVFQJ-QGZVFWFLSA-N 1 1 306.494 3.607 20 30 DHEDMO C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001257565609 1029228510 /nfs/dbraw/zinc/22/85/10/1029228510.db2.gz RZYCFOZLBRCATK-OCCSQVGLSA-N 1 1 307.235 3.616 20 30 DHEDMO C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@@H](C#N)C1 ZINC001257565609 1029228523 /nfs/dbraw/zinc/22/85/23/1029228523.db2.gz RZYCFOZLBRCATK-OCCSQVGLSA-N 1 1 307.235 3.616 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000569694119 1029249435 /nfs/dbraw/zinc/24/94/35/1029249435.db2.gz JYVAZBFEGVMMOZ-HKUYNNGSSA-N 1 1 301.430 3.642 20 30 DHEDMO C=CCC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCC1 ZINC000450191137 1029249726 /nfs/dbraw/zinc/24/97/26/1029249726.db2.gz WLJQKWBHLYIRGD-SJLPKXTDSA-N 1 1 316.489 3.598 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000374256897 1029261508 /nfs/dbraw/zinc/26/15/08/1029261508.db2.gz BLDFCPXGWFBNRA-OXQOHEQNSA-N 1 1 322.408 3.631 20 30 DHEDMO CC(C)c1nnc([C@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)[nH]1 ZINC000569821476 1029270822 /nfs/dbraw/zinc/27/08/22/1029270822.db2.gz NEEBKASGHHCVTK-GUYCJALGSA-N 1 1 323.444 3.918 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000817948045 1029291727 /nfs/dbraw/zinc/29/17/27/1029291727.db2.gz SUHDYOOLVSQAQL-UXLLHSPISA-N 1 1 322.880 3.857 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000450253795 1029292857 /nfs/dbraw/zinc/29/28/57/1029292857.db2.gz FXWWWOIYKCQURJ-AWEZNQCLSA-N 1 1 316.405 3.533 20 30 DHEDMO CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000818050253 1029340403 /nfs/dbraw/zinc/34/04/03/1029340403.db2.gz FRGVMBDWPLPRPW-HNNXBMFYSA-N 1 1 316.405 3.552 20 30 DHEDMO N#CCSCCC[N@H+]1CC[C@@](F)(c2ccccc2Cl)C1 ZINC000374687527 1029434314 /nfs/dbraw/zinc/43/43/14/1029434314.db2.gz RXSMJMJCWMSDNQ-HNNXBMFYSA-N 1 1 312.841 3.857 20 30 DHEDMO N#CCSCCC[N@@H+]1CC[C@@](F)(c2ccccc2Cl)C1 ZINC000374687527 1029434321 /nfs/dbraw/zinc/43/43/21/1029434321.db2.gz RXSMJMJCWMSDNQ-HNNXBMFYSA-N 1 1 312.841 3.857 20 30 DHEDMO O[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)Cc2ccccc21 ZINC000374936405 1029505853 /nfs/dbraw/zinc/50/58/53/1029505853.db2.gz NCXZXVMLRYDERR-IBGZPJMESA-N 1 1 311.812 3.631 20 30 DHEDMO C=CCC1(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CCCC1 ZINC000450514275 1029523605 /nfs/dbraw/zinc/52/36/05/1029523605.db2.gz CSWHMOUZNLZDBQ-IAGOWNOFSA-N 1 1 318.505 3.892 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1C#N ZINC001168125504 1029740130 /nfs/dbraw/zinc/74/01/30/1029740130.db2.gz JZIOSHNHNRNADS-HXUWFJFHSA-N 1 1 306.409 3.614 20 30 DHEDMO Cc1ccc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1C#N ZINC001168125504 1029740135 /nfs/dbraw/zinc/74/01/35/1029740135.db2.gz JZIOSHNHNRNADS-HXUWFJFHSA-N 1 1 306.409 3.614 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1(C#N)CCC1 ZINC000450944037 1029744562 /nfs/dbraw/zinc/74/45/62/1029744562.db2.gz TXRKQZJKFIESAJ-SFHVURJKSA-N 1 1 311.473 3.571 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2[C@H](C)CCC)cc1 ZINC001168126773 1029787112 /nfs/dbraw/zinc/78/71/12/1029787112.db2.gz SLNFXZUXTPNABO-APWZRJJASA-N 1 1 312.457 3.897 20 30 DHEDMO CC[C@H](CO)[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000451156481 1029806169 /nfs/dbraw/zinc/80/61/69/1029806169.db2.gz DWBCMYKQPDGSPU-HXUWFJFHSA-N 1 1 322.452 3.589 20 30 DHEDMO N#CC(CC[N@H+]1CC[C@H](F)C1)(c1ccccc1)c1ccccc1 ZINC000451203216 1029821311 /nfs/dbraw/zinc/82/13/11/1029821311.db2.gz YQUOXUOLXREKBU-IBGZPJMESA-N 1 1 308.400 3.930 20 30 DHEDMO N#CC(CC[N@@H+]1CC[C@H](F)C1)(c1ccccc1)c1ccccc1 ZINC000451203216 1029821314 /nfs/dbraw/zinc/82/13/14/1029821314.db2.gz YQUOXUOLXREKBU-IBGZPJMESA-N 1 1 308.400 3.930 20 30 DHEDMO C[C@H]1CN(CCCCC#N)C2(CCCC2)C[N@H+]1CCCCC#N ZINC000451348896 1029853836 /nfs/dbraw/zinc/85/38/36/1029853836.db2.gz XZOYKIXVXVYHEQ-SFHVURJKSA-N 1 1 316.493 3.693 20 30 DHEDMO C[C@H]1C[N@H+](CCCCC#N)C2(CCCC2)CN1CCCCC#N ZINC000451348896 1029853843 /nfs/dbraw/zinc/85/38/43/1029853843.db2.gz XZOYKIXVXVYHEQ-SFHVURJKSA-N 1 1 316.493 3.693 20 30 DHEDMO C[C@H]1C[N@@H+](CCCCC#N)C2(CCCC2)CN1CCCCC#N ZINC000451348896 1029853850 /nfs/dbraw/zinc/85/38/50/1029853850.db2.gz XZOYKIXVXVYHEQ-SFHVURJKSA-N 1 1 316.493 3.693 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@H+]2CC2(C)CCCCC2)C1=O ZINC001276290629 1029974928 /nfs/dbraw/zinc/97/49/28/1029974928.db2.gz YBBHQDAPXGOSRE-LJQANCHMSA-N 1 1 304.478 3.600 20 30 DHEDMO COc1ccc(Cl)cc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000357298555 1029985576 /nfs/dbraw/zinc/98/55/76/1029985576.db2.gz BJTUYBWLUMVIIB-UHFFFAOYSA-N 1 1 304.752 3.649 20 30 DHEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C12CCC2 ZINC000451852640 1030028370 /nfs/dbraw/zinc/02/83/70/1030028370.db2.gz OCPKTTABVIGKSE-ROUUACIJSA-N 1 1 312.457 3.877 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C)CC1 ZINC000357393771 1030030718 /nfs/dbraw/zinc/03/07/18/1030030718.db2.gz XGJZNXZJDWNJLV-HZPDHXFCSA-N 1 1 320.502 3.773 20 30 DHEDMO CC[C@@H](C)Oc1ccc(-c2noc([C@H]([NH3+])CCCC#N)n2)cc1 ZINC000822812666 1030132588 /nfs/dbraw/zinc/13/25/88/1030132588.db2.gz JVFCTWKAZZTAOX-IUODEOHRSA-N 1 1 314.389 3.608 20 30 DHEDMO CC(C)Oc1ccccc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866236803 1030171231 /nfs/dbraw/zinc/17/12/31/1030171231.db2.gz CXENPHKSTXILHA-CQSZACIVSA-N 1 1 310.397 3.902 20 30 DHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)C12CCC2 ZINC000357801939 1030197330 /nfs/dbraw/zinc/19/73/30/1030197330.db2.gz KWPHXZGUCIWGNE-RBUKOAKNSA-N 1 1 323.440 3.590 20 30 DHEDMO C[N@@H+](Cc1cnc(-c2ccccc2)nc1)Cc1cccc(C#N)c1 ZINC000533221296 1030201256 /nfs/dbraw/zinc/20/12/56/1030201256.db2.gz IMSXYNWSUHFIIG-UHFFFAOYSA-N 1 1 314.392 3.647 20 30 DHEDMO C[N@H+](Cc1cnc(-c2ccccc2)nc1)Cc1cccc(C#N)c1 ZINC000533221296 1030201273 /nfs/dbraw/zinc/20/12/73/1030201273.db2.gz IMSXYNWSUHFIIG-UHFFFAOYSA-N 1 1 314.392 3.647 20 30 DHEDMO CC(C)(c1noc([C@H]([NH3+])CCCC#N)n1)c1ccccc1Cl ZINC000823127932 1030215844 /nfs/dbraw/zinc/21/58/44/1030215844.db2.gz ADBKODNVIMFUPQ-CYBMUJFWSA-N 1 1 318.808 3.743 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000533290218 1030248999 /nfs/dbraw/zinc/24/89/99/1030248999.db2.gz UMTHBAOIUWUKBW-OAHLLOKOSA-N 1 1 306.425 3.509 20 30 DHEDMO CC1(C)CC[C@@H](c2noc([C@H]([NH3+])CCCC#N)n2)c2ccccc21 ZINC000823287672 1030257835 /nfs/dbraw/zinc/25/78/35/1030257835.db2.gz PSCMXIKNRVJEFP-GDBMZVCRSA-N 1 1 324.428 3.967 20 30 DHEDMO CC1(C)CC[C@H](c2noc([C@@H]([NH3+])CCCC#N)n2)c2ccccc21 ZINC000823287674 1030258975 /nfs/dbraw/zinc/25/89/75/1030258975.db2.gz PSCMXIKNRVJEFP-HOCLYGCPSA-N 1 1 324.428 3.967 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000557747936 1030275197 /nfs/dbraw/zinc/27/51/97/1030275197.db2.gz KGXHSYSCWLRLRB-KRWDZBQOSA-N 1 1 323.525 3.885 20 30 DHEDMO C[C@@H](C[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000533401763 1030318240 /nfs/dbraw/zinc/31/82/40/1030318240.db2.gz UEZNTKMFSZNEJD-INIZCTEOSA-N 1 1 321.424 3.622 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000533437667 1030341800 /nfs/dbraw/zinc/34/18/00/1030341800.db2.gz QTWSREUJQJEJHJ-GOSISDBHSA-N 1 1 300.446 3.638 20 30 DHEDMO C=CC[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCC ZINC001136802268 1030435856 /nfs/dbraw/zinc/43/58/56/1030435856.db2.gz QKDZTYFUXCOXLF-QXAKKESOSA-N 1 1 314.473 3.616 20 30 DHEDMO CC[N@@H+](CCC1CCN(c2cnccc2C#N)CC1)CC(C)C ZINC000358458146 1030496688 /nfs/dbraw/zinc/49/66/88/1030496688.db2.gz MXVPDCACAXGGKO-UHFFFAOYSA-N 1 1 314.477 3.538 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1cccc(C#N)c1 ZINC000358499397 1030516440 /nfs/dbraw/zinc/51/64/40/1030516440.db2.gz NXNXGNZBHVTFAY-OAHLLOKOSA-N 1 1 302.381 3.595 20 30 DHEDMO C[C@H]1CC(N=Nc2ncccc2F)CC[N@H+]1Cc1ccccc1 ZINC000794990715 1030526287 /nfs/dbraw/zinc/52/62/87/1030526287.db2.gz NPKHWTMYKIOALA-AWEZNQCLSA-N 1 1 312.392 3.673 20 30 DHEDMO C[C@@H](CC(C)(C)C#N)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000926083558 1030602279 /nfs/dbraw/zinc/60/22/79/1030602279.db2.gz DBUGXZXUIXLZEB-HOTGVXAUSA-N 1 1 315.461 3.820 20 30 DHEDMO C=CC1(CC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CCCCC1 ZINC000824658773 1030603985 /nfs/dbraw/zinc/60/39/85/1030603985.db2.gz PPLSCNDTWWIQFN-INIZCTEOSA-N 1 1 306.494 3.750 20 30 DHEDMO C=CCCCC[N@H+](C)Cc1[nH]c(C)c(CCC(=O)OC)c1C ZINC001136920950 1030608711 /nfs/dbraw/zinc/60/87/11/1030608711.db2.gz KUWDDHCWXLNPRP-UHFFFAOYSA-N 1 1 306.450 3.525 20 30 DHEDMO N#Cc1cc(C[NH+]2CC(c3nc4ccccc4s3)C2)ccc1F ZINC000358819668 1030638000 /nfs/dbraw/zinc/63/80/00/1030638000.db2.gz RXNNYYYBTAGPHM-UHFFFAOYSA-N 1 1 323.396 3.906 20 30 DHEDMO COc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)cc1Br ZINC000122319747 1030646443 /nfs/dbraw/zinc/64/64/43/1030646443.db2.gz UHRGPOHGCOITPF-JTQLQIEISA-N 1 1 311.223 3.658 20 30 DHEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNc2ncc(C#N)cc2Cl)C1 ZINC000358868404 1030657658 /nfs/dbraw/zinc/65/76/58/1030657658.db2.gz BNNLLKCSUBTOAQ-GFCCVEGCSA-N 1 1 306.841 3.529 20 30 DHEDMO CC[C@H]([NH2+]Cc1cc(F)ccc1OC)c1cccc(C#N)c1O ZINC000926218318 1030661480 /nfs/dbraw/zinc/66/14/80/1030661480.db2.gz CIGZFHHZFQARSP-INIZCTEOSA-N 1 1 314.360 3.652 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1c[nH]c3cccc(F)c13)CC2 ZINC001136979230 1030704851 /nfs/dbraw/zinc/70/48/51/1030704851.db2.gz HQRUATYNOVKJGA-UHFFFAOYSA-N 1 1 305.356 3.737 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1c[nH]c3cccc(F)c13)CC2 ZINC001136979230 1030704864 /nfs/dbraw/zinc/70/48/64/1030704864.db2.gz HQRUATYNOVKJGA-UHFFFAOYSA-N 1 1 305.356 3.737 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000825215148 1030749131 /nfs/dbraw/zinc/74/91/31/1030749131.db2.gz IXMKIIKVQBAVMH-QAPCUYQASA-N 1 1 316.470 3.697 20 30 DHEDMO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000926602492 1030823137 /nfs/dbraw/zinc/82/31/37/1030823137.db2.gz MCDWMMWWOWKXJG-DLBZAZTESA-N 1 1 307.397 3.899 20 30 DHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccnn1CC1CCC1 ZINC000926712867 1030876782 /nfs/dbraw/zinc/87/67/82/1030876782.db2.gz OHCOLJYSCBQZGO-OAHLLOKOSA-N 1 1 300.450 3.808 20 30 DHEDMO COc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1C(F)(F)F ZINC001143644538 1030878959 /nfs/dbraw/zinc/87/89/59/1030878959.db2.gz HVVAYUFLVBAKJH-GFCCVEGCSA-N 1 1 312.335 3.840 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1C(F)(F)F ZINC001143644538 1030878981 /nfs/dbraw/zinc/87/89/81/1030878981.db2.gz HVVAYUFLVBAKJH-GFCCVEGCSA-N 1 1 312.335 3.840 20 30 DHEDMO COC(=O)C(C)(C)[C@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000614964091 1030883857 /nfs/dbraw/zinc/88/38/57/1030883857.db2.gz XLDQRBMRSFJIEO-PBHICJAKSA-N 1 1 314.429 3.530 20 30 DHEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000614964092 1030884375 /nfs/dbraw/zinc/88/43/75/1030884375.db2.gz XLDQRBMRSFJIEO-RHSMWYFYSA-N 1 1 314.429 3.530 20 30 DHEDMO C=CCCC[C@H]([NH2+][C@@H](C)c1cc(CO)on1)c1ccccc1 ZINC000926856628 1030954259 /nfs/dbraw/zinc/95/42/59/1030954259.db2.gz XSUHQHZHCCKJAU-YOEHRIQHSA-N 1 1 300.402 3.915 20 30 DHEDMO C=CCC1(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CCC1 ZINC000359433089 1030964340 /nfs/dbraw/zinc/96/43/40/1030964340.db2.gz VSBLNDRMPDPWHG-BBWFWOEESA-N 1 1 304.478 3.597 20 30 DHEDMO C=CCC1(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)CCC1 ZINC000359559449 1031030166 /nfs/dbraw/zinc/03/01/66/1031030166.db2.gz PLAMIVAPSWKLEH-UHFFFAOYSA-N 1 1 314.473 3.889 20 30 DHEDMO CC[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1cccc(C#N)c1O ZINC000927062874 1031059444 /nfs/dbraw/zinc/05/94/44/1031059444.db2.gz PKQBWDXPSKZNRF-DLBZAZTESA-N 1 1 307.397 3.777 20 30 DHEDMO C[N@@H+](CCSC1CCCCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370856 1031072319 /nfs/dbraw/zinc/07/23/19/1031072319.db2.gz KHXPJHKHZWPMGI-GOSISDBHSA-N 1 1 318.486 3.589 20 30 DHEDMO C[N@@H+](CC/C=C\c1ccccc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370562 1031073120 /nfs/dbraw/zinc/07/31/20/1031073120.db2.gz ISQLNVRBTAFGSF-CSBXVMIQSA-N 1 1 306.409 3.627 20 30 DHEDMO C[N@H+](Cc1cccc(C(F)F)c1)C[C@H](O)c1cccc(C#N)c1 ZINC000844370794 1031073638 /nfs/dbraw/zinc/07/36/38/1031073638.db2.gz JLQUOTQSPHPFEF-KRWDZBQOSA-N 1 1 316.351 3.661 20 30 DHEDMO C=CCC(CC=C)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261965715 1031074237 /nfs/dbraw/zinc/07/42/37/1031074237.db2.gz MUXDYUDVCQJKGX-QGZVFWFLSA-N 1 1 318.848 3.581 20 30 DHEDMO C[N@@H+](Cc1ccccc1NC(=O)CCS)C1CCCCC1 ZINC001143985896 1031130333 /nfs/dbraw/zinc/13/03/33/1031130333.db2.gz YLIDCGCQUSKPEM-UHFFFAOYSA-N 1 1 306.475 3.710 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844453204 1031132695 /nfs/dbraw/zinc/13/26/95/1031132695.db2.gz FSNPBNMSNQMITA-HDICACEKSA-N 1 1 310.347 3.922 20 30 DHEDMO Cc1nc(NCCCC[N@@H+]2CCCC[C@@H]2C)c(Cl)cc1C#N ZINC000359893491 1031185299 /nfs/dbraw/zinc/18/52/99/1031185299.db2.gz CSCALCHWATUIGZ-ZDUSSCGKSA-N 1 1 320.868 3.982 20 30 DHEDMO Cc1c(O)cccc1C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001144118352 1031255049 /nfs/dbraw/zinc/25/50/49/1031255049.db2.gz UODQFDJOVSSXNS-SFHVURJKSA-N 1 1 322.408 3.616 20 30 DHEDMO C=CC[N@@H+](CCC(=O)Nc1ccccc1C)CCc1ccco1 ZINC000272338370 1031270766 /nfs/dbraw/zinc/27/07/66/1031270766.db2.gz YDWVQMJIZIVFTA-UHFFFAOYSA-N 1 1 312.413 3.647 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(F)cc2c1OCOC2 ZINC000272338247 1031273009 /nfs/dbraw/zinc/27/30/09/1031273009.db2.gz XZLVNQDCVRSZCT-UHFFFAOYSA-N 1 1 317.360 3.516 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc([C@@H]2CCCO2)s1 ZINC000272639170 1031275687 /nfs/dbraw/zinc/27/56/87/1031275687.db2.gz OBFVMBMYJBFGPI-INIZCTEOSA-N 1 1 318.442 3.818 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cnc([C@@H]2CCCO2)s1 ZINC000272639170 1031275699 /nfs/dbraw/zinc/27/56/99/1031275699.db2.gz OBFVMBMYJBFGPI-INIZCTEOSA-N 1 1 318.442 3.818 20 30 DHEDMO N#Cc1ccc(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cc1 ZINC000428655819 1031299749 /nfs/dbraw/zinc/29/97/49/1031299749.db2.gz FLYVHOQQZGSQNA-IBGZPJMESA-N 1 1 323.465 3.588 20 30 DHEDMO CC[N@H+](C)[C@@H](C(=O)Nc1ccc(CCC#N)cc1)c1ccccc1 ZINC000928406549 1031312154 /nfs/dbraw/zinc/31/21/54/1031312154.db2.gz MXLJKPGXJNMAGW-LJQANCHMSA-N 1 1 321.424 3.774 20 30 DHEDMO CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(CCC#N)cc1)c1ccccc1 ZINC000928406549 1031312168 /nfs/dbraw/zinc/31/21/68/1031312168.db2.gz MXLJKPGXJNMAGW-LJQANCHMSA-N 1 1 321.424 3.774 20 30 DHEDMO CC[N@H+](C)[C@H](C(=O)Nc1ccc(CCC#N)cc1)c1ccccc1 ZINC000928406548 1031313456 /nfs/dbraw/zinc/31/34/56/1031313456.db2.gz MXLJKPGXJNMAGW-IBGZPJMESA-N 1 1 321.424 3.774 20 30 DHEDMO CC[N@@H+](C)[C@H](C(=O)Nc1ccc(CCC#N)cc1)c1ccccc1 ZINC000928406548 1031313469 /nfs/dbraw/zinc/31/34/69/1031313469.db2.gz MXLJKPGXJNMAGW-IBGZPJMESA-N 1 1 321.424 3.774 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(-n3cccc3)cc1)CC2 ZINC001144239477 1031376449 /nfs/dbraw/zinc/37/64/49/1031376449.db2.gz ZPESNPXFXXZFKG-UHFFFAOYSA-N 1 1 313.404 3.907 20 30 DHEDMO C=CCC[N@@H+](CCOC)Cc1sccc1Br ZINC000191431593 1031403692 /nfs/dbraw/zinc/40/36/92/1031403692.db2.gz SIBFCMYCJWPLJH-UHFFFAOYSA-N 1 1 304.253 3.535 20 30 DHEDMO C=CCC[N@H+](CCOC)Cc1sccc1Br ZINC000191431593 1031403699 /nfs/dbraw/zinc/40/36/99/1031403699.db2.gz SIBFCMYCJWPLJH-UHFFFAOYSA-N 1 1 304.253 3.535 20 30 DHEDMO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2cncc(C#N)c2)cc1 ZINC000929136785 1031444486 /nfs/dbraw/zinc/44/44/86/1031444486.db2.gz YSISEEIEQHHQKI-LJQANCHMSA-N 1 1 307.397 3.689 20 30 DHEDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2cncc(C#N)c2)cc1 ZINC000929136785 1031444494 /nfs/dbraw/zinc/44/44/94/1031444494.db2.gz YSISEEIEQHHQKI-LJQANCHMSA-N 1 1 307.397 3.689 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000929253813 1031478642 /nfs/dbraw/zinc/47/86/42/1031478642.db2.gz LEQXUKDZSDTAJN-JTTJXQCZSA-N 1 1 302.393 3.529 20 30 DHEDMO N#CC1CCC(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)CC1 ZINC000929338895 1031498523 /nfs/dbraw/zinc/49/85/23/1031498523.db2.gz PTDWRRAGRRYRRS-LEOMRAHMSA-N 1 1 302.418 3.591 20 30 DHEDMO CC(C)N1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360655540 1031505587 /nfs/dbraw/zinc/50/55/87/1031505587.db2.gz DGNLRGLIZGDTNM-FQEVSTJZSA-N 1 1 311.473 3.788 20 30 DHEDMO CC(C)[NH+]1CCC(N[C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360655540 1031505593 /nfs/dbraw/zinc/50/55/93/1031505593.db2.gz DGNLRGLIZGDTNM-FQEVSTJZSA-N 1 1 311.473 3.788 20 30 DHEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000872115198 1031507615 /nfs/dbraw/zinc/50/76/15/1031507615.db2.gz JHBZMMDPOLUFGO-LLVKDONJSA-N 1 1 306.818 3.659 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c(F)c1 ZINC000360667816 1031511221 /nfs/dbraw/zinc/51/12/21/1031511221.db2.gz AQSGLXVTQWMGHV-FQEVSTJZSA-N 1 1 322.383 3.719 20 30 DHEDMO COc1ccc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)cc1C#N ZINC000360702897 1031524584 /nfs/dbraw/zinc/52/45/84/1031524584.db2.gz KZKQGROLMHTHOP-UHFFFAOYSA-N 1 1 304.393 3.614 20 30 DHEDMO COc1ccc(C[N@H+]2Cc3ccccc3C3(CC3)C2)cc1C#N ZINC000360702897 1031524594 /nfs/dbraw/zinc/52/45/94/1031524594.db2.gz KZKQGROLMHTHOP-UHFFFAOYSA-N 1 1 304.393 3.614 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cccc(OCCC)c2)no1 ZINC000872175975 1031549185 /nfs/dbraw/zinc/54/91/85/1031549185.db2.gz MPPLJYICGORQJD-CYBMUJFWSA-N 1 1 307.781 3.668 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872258983 1031561154 /nfs/dbraw/zinc/56/11/54/1031561154.db2.gz IDFMUPJLPYUGNX-MRXNPFEDSA-N 1 1 319.836 3.530 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872258983 1031561160 /nfs/dbraw/zinc/56/11/60/1031561160.db2.gz IDFMUPJLPYUGNX-MRXNPFEDSA-N 1 1 319.836 3.530 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)ccc1F ZINC000872281812 1031574303 /nfs/dbraw/zinc/57/43/03/1031574303.db2.gz WDEYDNNJHAMNBK-QGZVFWFLSA-N 1 1 302.393 3.621 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000360838190 1031585223 /nfs/dbraw/zinc/58/52/23/1031585223.db2.gz BFBUIZHWJLDROM-GHTZIAJQSA-N 1 1 323.484 3.932 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000360838190 1031585230 /nfs/dbraw/zinc/58/52/30/1031585230.db2.gz BFBUIZHWJLDROM-GHTZIAJQSA-N 1 1 323.484 3.932 20 30 DHEDMO Cc1ncc(Cl)cc1NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171182398 1031591258 /nfs/dbraw/zinc/59/12/58/1031591258.db2.gz MLRTXCWJZLYOBW-UHFFFAOYSA-N 1 1 311.772 3.939 20 30 DHEDMO N=C(Nc1cc[nH+]c(C2CC2)c1)c1ccc2cc(O)ccc2c1 ZINC001171182350 1031591445 /nfs/dbraw/zinc/59/14/45/1031591445.db2.gz JWWDKVYFXMRITG-UHFFFAOYSA-N 1 1 303.365 3.855 20 30 DHEDMO COc1ccc2ccc(O)c(C[N@@H+](C)[C@H]3CCC[C@@H]3C#N)c2c1 ZINC000872681056 1031643391 /nfs/dbraw/zinc/64/33/91/1031643391.db2.gz DOOCVCUJOUGNBD-KDOFPFPSSA-N 1 1 310.397 3.678 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CCO2)cc1 ZINC000897591210 1031664055 /nfs/dbraw/zinc/66/40/55/1031664055.db2.gz ILBXPKXWHCPFLZ-FQEVSTJZSA-N 1 1 317.392 3.613 20 30 DHEDMO CCOc1cccc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c1 ZINC000897592333 1031666271 /nfs/dbraw/zinc/66/62/71/1031666271.db2.gz UUCBETQVPIYZEU-FQEVSTJZSA-N 1 1 322.408 3.530 20 30 DHEDMO CCOc1cccc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c1 ZINC000897592333 1031666282 /nfs/dbraw/zinc/66/62/82/1031666282.db2.gz UUCBETQVPIYZEU-FQEVSTJZSA-N 1 1 322.408 3.530 20 30 DHEDMO CC[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CCN1CC(F)F ZINC000930141898 1031713467 /nfs/dbraw/zinc/71/34/67/1031713467.db2.gz FNPHQEZDMZFQSO-HNNXBMFYSA-N 1 1 313.436 3.512 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](CCCc3ccsc3)CCO2)c1 ZINC000361085097 1031717885 /nfs/dbraw/zinc/71/78/85/1031717885.db2.gz FVLVLHDTQYGZJO-GOSISDBHSA-N 1 1 312.438 3.626 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](CCCc3ccsc3)CCO2)c1 ZINC000361085097 1031717899 /nfs/dbraw/zinc/71/78/99/1031717899.db2.gz FVLVLHDTQYGZJO-GOSISDBHSA-N 1 1 312.438 3.626 20 30 DHEDMO C#Cc1ccc(C[N@@H+](CCC(=O)OCC)Cc2ccccc2)cc1 ZINC001144569146 1031721480 /nfs/dbraw/zinc/72/14/80/1031721480.db2.gz LMSQEINTZKMKOJ-UHFFFAOYSA-N 1 1 321.420 3.623 20 30 DHEDMO Cc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2cc(C#N)cs2)o1 ZINC000897625770 1031748446 /nfs/dbraw/zinc/74/84/46/1031748446.db2.gz NNNWMQUQEINXRQ-UHFFFAOYSA-N 1 1 312.398 3.543 20 30 DHEDMO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2cc(C#N)cs2)o1 ZINC000897625770 1031748463 /nfs/dbraw/zinc/74/84/63/1031748463.db2.gz NNNWMQUQEINXRQ-UHFFFAOYSA-N 1 1 312.398 3.543 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](Cc3cccc4c3CCC4)CCO2)c1 ZINC000845912256 1031757660 /nfs/dbraw/zinc/75/76/60/1031757660.db2.gz GVZKLTCWMLKLJT-OAQYLSRUSA-N 1 1 318.420 3.620 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3cccc4c3CCC4)CCO2)c1 ZINC000845912256 1031757668 /nfs/dbraw/zinc/75/76/68/1031757668.db2.gz GVZKLTCWMLKLJT-OAQYLSRUSA-N 1 1 318.420 3.620 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1 ZINC000930299058 1031773784 /nfs/dbraw/zinc/77/37/84/1031773784.db2.gz AOVCKMBNZHMPGC-ADXGEFSYSA-N 1 1 304.478 3.722 20 30 DHEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(-c2ccccc2)cn1)[C@@H]1CCCO1 ZINC000845955334 1031777610 /nfs/dbraw/zinc/77/76/10/1031777610.db2.gz BZYYABDJDCGJDE-BPAFIMBUSA-N 1 1 306.409 3.580 20 30 DHEDMO C[C@@]12CC[N@@H+](CC3CCC(C#N)CC3)C[C@@H]1C2(Cl)Cl ZINC000930368209 1031794750 /nfs/dbraw/zinc/79/47/50/1031794750.db2.gz RGGOFKYRZIRQNM-CLRIEMFWSA-N 1 1 301.261 3.832 20 30 DHEDMO CSCc1cnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)s1 ZINC000294089684 1031794677 /nfs/dbraw/zinc/79/46/77/1031794677.db2.gz LUTPLSIWHJUDBS-NSHDSACASA-N 1 1 303.456 3.729 20 30 DHEDMO Cc1[nH+]cn(-c2ccc(NCc3ccc(C#N)cc3)cc2)c1C ZINC000361236677 1031803354 /nfs/dbraw/zinc/80/33/54/1031803354.db2.gz LDAUOQVHDIMGKR-UHFFFAOYSA-N 1 1 302.381 3.973 20 30 DHEDMO C=C(CNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000897767295 1031819213 /nfs/dbraw/zinc/81/92/13/1031819213.db2.gz WSHCZASLUJDQIM-PMACEKPBSA-N 1 1 320.436 3.509 20 30 DHEDMO N#CC1CCC(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)CC1 ZINC000930459038 1031826395 /nfs/dbraw/zinc/82/63/95/1031826395.db2.gz RVGPEGRWRMZWRI-QCRWKMLFSA-N 1 1 324.468 3.821 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000930520916 1031857185 /nfs/dbraw/zinc/85/71/85/1031857185.db2.gz HFEQHHVQTJRXMW-SJORKVTESA-N 1 1 316.832 3.745 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000930520916 1031857207 /nfs/dbraw/zinc/85/72/07/1031857207.db2.gz HFEQHHVQTJRXMW-SJORKVTESA-N 1 1 316.832 3.745 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc(OC)c1O ZINC000846109702 1031858445 /nfs/dbraw/zinc/85/84/45/1031858445.db2.gz UXGCUQBWSXRRRM-QGZVFWFLSA-N 1 1 323.383 3.751 20 30 DHEDMO C[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000361346056 1031878535 /nfs/dbraw/zinc/87/85/35/1031878535.db2.gz MAZIZGARPOZUCT-OAHLLOKOSA-N 1 1 319.408 3.506 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)CCC1 ZINC000930613201 1031891576 /nfs/dbraw/zinc/89/15/76/1031891576.db2.gz YAYRGIQRFKMZLS-KURKYZTESA-N 1 1 304.478 3.866 20 30 DHEDMO C[C@H](C[N@@H+](C)CCCCC1(C#N)CCC1)C(=O)OC(C)(C)C ZINC000930705111 1031922330 /nfs/dbraw/zinc/92/23/30/1031922330.db2.gz HJWNUBDYGSZIMN-OAHLLOKOSA-N 1 1 308.466 3.760 20 30 DHEDMO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1Cl ZINC000561478572 1031924083 /nfs/dbraw/zinc/92/40/83/1031924083.db2.gz XEZWLWRBLKKMEH-AWEZNQCLSA-N 1 1 314.816 3.595 20 30 DHEDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1Cl ZINC000561478572 1031924087 /nfs/dbraw/zinc/92/40/87/1031924087.db2.gz XEZWLWRBLKKMEH-AWEZNQCLSA-N 1 1 314.816 3.595 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H](Cc4nccs4)C3)cc2)CC1 ZINC000898068719 1031940304 /nfs/dbraw/zinc/94/03/04/1031940304.db2.gz QOLKERZPVVPNBD-MRXNPFEDSA-N 1 1 323.465 3.763 20 30 DHEDMO CCOc1ccc(C[N@@H+](Cc2cc(C#N)n(C)c2)C(C)C)cc1 ZINC000361509737 1031964169 /nfs/dbraw/zinc/96/41/69/1031964169.db2.gz DTBHWRUWHVHKNW-UHFFFAOYSA-N 1 1 311.429 3.706 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2cncc(-c3cc(F)ccc3OC)c2)C1 ZINC000930885108 1031972879 /nfs/dbraw/zinc/97/28/79/1031972879.db2.gz JTXZXTACHYFMPR-HNNXBMFYSA-N 1 1 324.399 3.742 20 30 DHEDMO CC(C)(C)OC(=O)C[N@@H+](CC1CCC(C#N)CC1)C1CCC1 ZINC000930894055 1031977765 /nfs/dbraw/zinc/97/77/65/1031977765.db2.gz XZCXODHGMYWJCH-UHFFFAOYSA-N 1 1 306.450 3.513 20 30 DHEDMO CC(C)c1ncc2c(n1)CC[N@H+](CCCCC1(C#N)CCC1)C2 ZINC000931164186 1032055575 /nfs/dbraw/zinc/05/55/75/1032055575.db2.gz NFYFKBVNJIQJKX-UHFFFAOYSA-N 1 1 312.461 3.822 20 30 DHEDMO C=CCCC[C@@H](C)[N@@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000539196698 1033295448 /nfs/dbraw/zinc/29/54/48/1033295448.db2.gz GUPPNURCXVFBSV-CYBMUJFWSA-N 1 1 310.388 3.970 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000877498306 1033325292 /nfs/dbraw/zinc/32/52/92/1033325292.db2.gz BEVZKYGEBHSOGY-HOTGVXAUSA-N 1 1 323.481 3.553 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000877498305 1033325792 /nfs/dbraw/zinc/32/57/92/1033325792.db2.gz BEVZKYGEBHSOGY-CVEARBPZSA-N 1 1 323.481 3.553 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000539390040 1033344802 /nfs/dbraw/zinc/34/48/02/1033344802.db2.gz XMVZHTFWPIDCAL-SJORKVTESA-N 1 1 309.498 3.685 20 30 DHEDMO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877586220 1033368391 /nfs/dbraw/zinc/36/83/91/1033368391.db2.gz WWCKOFZCSVLGDO-GFCCVEGCSA-N 1 1 317.795 3.809 20 30 DHEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877586220 1033368394 /nfs/dbraw/zinc/36/83/94/1033368394.db2.gz WWCKOFZCSVLGDO-GFCCVEGCSA-N 1 1 317.795 3.809 20 30 DHEDMO COc1ccccc1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC000877769229 1033442964 /nfs/dbraw/zinc/44/29/64/1033442964.db2.gz BOIGQIONBGYIHM-OAHLLOKOSA-N 1 1 310.397 3.930 20 30 DHEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)[nH]n1 ZINC000877783978 1033450642 /nfs/dbraw/zinc/45/06/42/1033450642.db2.gz MBJOVKQNUCUNGQ-QGZVFWFLSA-N 1 1 308.429 3.784 20 30 DHEDMO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)n[nH]1 ZINC000877783978 1033450649 /nfs/dbraw/zinc/45/06/49/1033450649.db2.gz MBJOVKQNUCUNGQ-QGZVFWFLSA-N 1 1 308.429 3.784 20 30 DHEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n[nH]1 ZINC000877783978 1033450655 /nfs/dbraw/zinc/45/06/55/1033450655.db2.gz MBJOVKQNUCUNGQ-QGZVFWFLSA-N 1 1 308.429 3.784 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCC[C@@H]1C(C)C)c1ccccc1 ZINC000878113347 1033582545 /nfs/dbraw/zinc/58/25/45/1033582545.db2.gz ZRBBTJWMFKRCJA-UXHICEINSA-N 1 1 312.457 3.938 20 30 DHEDMO C#CCCCCC[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000878119318 1033587440 /nfs/dbraw/zinc/58/74/40/1033587440.db2.gz NYZRFUGPZGWTIQ-LJQANCHMSA-N 1 1 313.420 3.774 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000878153990 1033600586 /nfs/dbraw/zinc/60/05/86/1033600586.db2.gz SLKNQUBZDBNXSS-QRVBRYPASA-N 1 1 310.441 3.860 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000878153990 1033600596 /nfs/dbraw/zinc/60/05/96/1033600596.db2.gz SLKNQUBZDBNXSS-QRVBRYPASA-N 1 1 310.441 3.860 20 30 DHEDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+](CCC#N)C1CCCC1 ZINC001173225407 1033602741 /nfs/dbraw/zinc/60/27/41/1033602741.db2.gz BYLFSIJUOFCRFJ-AWEZNQCLSA-N 1 1 301.390 3.684 20 30 DHEDMO CCOc1cc(C[NH2+]CCC#N)ccc1OCc1ccccc1 ZINC000345309391 1033608098 /nfs/dbraw/zinc/60/80/98/1033608098.db2.gz XPMBFLUPPIWFJA-UHFFFAOYSA-N 1 1 310.397 3.668 20 30 DHEDMO N#CCC1(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)CC1 ZINC000878178365 1033614551 /nfs/dbraw/zinc/61/45/51/1033614551.db2.gz LJSUDBWCAQGRAW-QGZVFWFLSA-N 1 1 310.397 3.509 20 30 DHEDMO N#CCC1(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000878191908 1033618175 /nfs/dbraw/zinc/61/81/75/1033618175.db2.gz RYHSMPWDOSCSSL-JKSUJKDBSA-N 1 1 302.418 3.642 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@H]1c1ccc[nH]1)c1ccccc1 ZINC000878213446 1033625956 /nfs/dbraw/zinc/62/59/56/1033625956.db2.gz JCQHCGUFUYRONV-VQTJNVASSA-N 1 1 321.424 3.592 20 30 DHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@H]1CC[C@@H](CC)C1)C2 ZINC001173280642 1033672482 /nfs/dbraw/zinc/67/24/82/1033672482.db2.gz NDCQQHHHPQQRST-ZIFCJYIRSA-N 1 1 304.478 3.598 20 30 DHEDMO C=CCCC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000878359250 1033673614 /nfs/dbraw/zinc/67/36/14/1033673614.db2.gz HNCGTPUDWQKDCN-HKUYNNGSSA-N 1 1 314.473 3.585 20 30 DHEDMO CCCCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001173285139 1033677750 /nfs/dbraw/zinc/67/77/50/1033677750.db2.gz OOSCRPQPWBKMLV-CEXWTWQISA-N 1 1 313.526 3.971 20 30 DHEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000878384257 1033684131 /nfs/dbraw/zinc/68/41/31/1033684131.db2.gz AVSLCISGLGMDGI-DOTOQJQBSA-N 1 1 300.446 3.540 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@H](CC(=O)OC(C)(C)C)C2)CC1 ZINC001173322627 1033685058 /nfs/dbraw/zinc/68/50/58/1033685058.db2.gz GZCPHDKPLYFWKS-KLAILNCOSA-N 1 1 323.477 3.554 20 30 DHEDMO C=CCOC1CCC([N@H+](C)CCc2cccc(OC)c2)CC1 ZINC001173327554 1033687902 /nfs/dbraw/zinc/68/79/02/1033687902.db2.gz OIZGUKGRQJCFRC-UHFFFAOYSA-N 1 1 303.446 3.683 20 30 DHEDMO N#CCC1CCC([N@H+]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001173335459 1033692465 /nfs/dbraw/zinc/69/24/65/1033692465.db2.gz MOAGGDACNDCSRX-UHFFFAOYSA-N 1 1 311.473 3.667 20 30 DHEDMO N#CCC[N@H+](Cc1ccccc1)C1Cc2cc(F)c(F)cc2C1 ZINC001173479942 1033742835 /nfs/dbraw/zinc/74/28/35/1033742835.db2.gz OATYPXSYTHHPMO-UHFFFAOYSA-N 1 1 312.363 3.848 20 30 DHEDMO N#CCC[N@@H+](Cc1ccccc1)C1Cc2cc(F)c(F)cc2C1 ZINC001173479942 1033742846 /nfs/dbraw/zinc/74/28/46/1033742846.db2.gz OATYPXSYTHHPMO-UHFFFAOYSA-N 1 1 312.363 3.848 20 30 DHEDMO C#CC[N@H+]([C@@H](C)CCCCC(=O)OC)[C@@H]1CCc2ccccc21 ZINC001173454043 1033749085 /nfs/dbraw/zinc/74/90/85/1033749085.db2.gz AMBCECHRJDJWES-QFBILLFUSA-N 1 1 313.441 3.731 20 30 DHEDMO C=CCN(Cc1ccc(Cl)s1)Cc1c[nH+]c2n1CCC2 ZINC000667481995 1033754429 /nfs/dbraw/zinc/75/44/29/1033754429.db2.gz NWVXFDZTGAFLQD-UHFFFAOYSA-N 1 1 307.850 3.732 20 30 DHEDMO CN1CCC([N@@H+](C2CCCC2)C2CCC(C)(C#N)CC2)CC1 ZINC001173597619 1033783301 /nfs/dbraw/zinc/78/33/01/1033783301.db2.gz ZRODSPXFYZYJSZ-UHFFFAOYSA-N 1 1 303.494 3.798 20 30 DHEDMO C[C@H]1C[N@H+](C2CCC(C)(C#N)CC2)CCN1Cc1ccccc1 ZINC001173596933 1033783601 /nfs/dbraw/zinc/78/36/01/1033783601.db2.gz BQAPNRISGFLIAA-KKXNLOMOSA-N 1 1 311.473 3.665 20 30 DHEDMO CCCc1noc([C@H]2CCC[N@H+](C3CCC(C)(C#N)CC3)C2)n1 ZINC001173598693 1033784455 /nfs/dbraw/zinc/78/44/55/1033784455.db2.gz UKHOVCZTXXEJGX-SYJJWHGVSA-N 1 1 316.449 3.674 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001173597809 1033784635 /nfs/dbraw/zinc/78/46/35/1033784635.db2.gz JCGROZBTIFXDMU-SKINQDTJSA-N 1 1 323.440 3.874 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCc3c(cnn3-c3ccccc3)C2)CC1 ZINC001173600298 1033787292 /nfs/dbraw/zinc/78/72/92/1033787292.db2.gz YRRQQJHUZOEGCL-UHFFFAOYSA-N 1 1 320.440 3.703 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@H](C2CCCC2)C1)c1ccccc1 ZINC000878719715 1033810367 /nfs/dbraw/zinc/81/03/67/1033810367.db2.gz AXQVJDDFLUEKLV-FPOVZHCZSA-N 1 1 324.468 3.939 20 30 DHEDMO C=CC(C)(C)CC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000878742188 1033814606 /nfs/dbraw/zinc/81/46/06/1033814606.db2.gz WEPNJOLEMHNELI-HNNXBMFYSA-N 1 1 316.445 3.621 20 30 DHEDMO C#CCCCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000878814549 1033835402 /nfs/dbraw/zinc/83/54/02/1033835402.db2.gz OBOJWLQJLUTWOQ-HZPDHXFCSA-N 1 1 308.466 3.558 20 30 DHEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000862442642 1033856487 /nfs/dbraw/zinc/85/64/87/1033856487.db2.gz FAHQRMOHLRWGKT-KRWDZBQOSA-N 1 1 306.409 3.506 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1 ZINC000862540883 1033884042 /nfs/dbraw/zinc/88/40/42/1033884042.db2.gz LUEBIEDOJGZRML-LJQANCHMSA-N 1 1 321.420 3.784 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H](C2CCC2)C1)c1ccccc1 ZINC000878994553 1033889679 /nfs/dbraw/zinc/88/96/79/1033889679.db2.gz UESPPIBOIRFEOZ-CTNGQTDRSA-N 1 1 324.468 3.939 20 30 DHEDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC[C@@H]1c1ccccc1 ZINC000127535912 1033934820 /nfs/dbraw/zinc/93/48/20/1033934820.db2.gz KJASCRYFGKWUJE-CZAAIQMYSA-N 1 1 320.436 3.717 20 30 DHEDMO N#Cc1cccc(C[NH2+]Cc2cc(F)ccc2Br)c1 ZINC000037996317 1033937832 /nfs/dbraw/zinc/93/78/32/1033937832.db2.gz NOKHTXPSYDVOJM-UHFFFAOYSA-N 1 1 319.177 3.750 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cc(F)ccc3F)sc2C1 ZINC001173948546 1034008484 /nfs/dbraw/zinc/00/84/84/1034008484.db2.gz IIWGQXGACLDKJT-UHFFFAOYSA-N 1 1 305.353 3.629 20 30 DHEDMO N#Cc1nc2ccc(Nc3cc[nH+]c4ccccc34)cc2s1 ZINC001174040096 1034094191 /nfs/dbraw/zinc/09/41/91/1034094191.db2.gz ROTNUYCBEORWPR-UHFFFAOYSA-N 1 1 302.362 3.882 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879749102 1034110281 /nfs/dbraw/zinc/11/02/81/1034110281.db2.gz DAVHRMGTDNIJDX-GOSISDBHSA-N 1 1 307.397 3.607 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879749102 1034110294 /nfs/dbraw/zinc/11/02/94/1034110294.db2.gz DAVHRMGTDNIJDX-GOSISDBHSA-N 1 1 307.397 3.607 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCC(F)(F)F)CC2CC2)c(F)c1 ZINC000177167748 1034136743 /nfs/dbraw/zinc/13/67/43/1034136743.db2.gz OOQBXJJPGVETKU-UHFFFAOYSA-N 1 1 300.299 3.862 20 30 DHEDMO N#Cc1ccc(C[N@@H+](CCC(F)(F)F)CC2CC2)c(F)c1 ZINC000177167748 1034136753 /nfs/dbraw/zinc/13/67/53/1034136753.db2.gz OOQBXJJPGVETKU-UHFFFAOYSA-N 1 1 300.299 3.862 20 30 DHEDMO C[C@@H](CCc1ccccc1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842147348 1034154466 /nfs/dbraw/zinc/15/44/66/1034154466.db2.gz BBWJTUOTAHFNHX-OXJNMPFZSA-N 1 1 308.425 3.545 20 30 DHEDMO C[C@H](CCc1ccccc1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000842147352 1034157747 /nfs/dbraw/zinc/15/77/47/1034157747.db2.gz BBWJTUOTAHFNHX-UZLBHIALSA-N 1 1 308.425 3.545 20 30 DHEDMO Cc1cc(C)c(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(C)c1 ZINC000842148118 1034168259 /nfs/dbraw/zinc/16/82/59/1034168259.db2.gz DZKLNUHJHPSVAV-HXUWFJFHSA-N 1 1 308.425 3.649 20 30 DHEDMO Cc1csc([C@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000880008813 1034180957 /nfs/dbraw/zinc/18/09/57/1034180957.db2.gz HKQDJQRUGDNCEW-HNNXBMFYSA-N 1 1 316.857 3.946 20 30 DHEDMO Cc1csc([C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)n1 ZINC000880008813 1034180963 /nfs/dbraw/zinc/18/09/63/1034180963.db2.gz HKQDJQRUGDNCEW-HNNXBMFYSA-N 1 1 316.857 3.946 20 30 DHEDMO N#CC1(CC[N@H+]2CCO[C@@H](C(F)(F)F)CC2)CCCCC1 ZINC000880051483 1034194606 /nfs/dbraw/zinc/19/46/06/1034194606.db2.gz UKDPHKZMTLGJJJ-CYBMUJFWSA-N 1 1 304.356 3.504 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880062999 1034196361 /nfs/dbraw/zinc/19/63/61/1034196361.db2.gz TYDGBOVHTBPMRI-XUJVJEKNSA-N 1 1 312.335 3.661 20 30 DHEDMO C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C#N)C1 ZINC000880124842 1034217137 /nfs/dbraw/zinc/21/71/37/1034217137.db2.gz OPJUTXHJBWMXRA-HZPDHXFCSA-N 1 1 323.481 3.696 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@@]4(CC4(F)F)C3)cc2)CC1 ZINC000826143259 1034218467 /nfs/dbraw/zinc/21/84/67/1034218467.db2.gz VNEQTMDUJRQDEX-QGZVFWFLSA-N 1 1 302.368 3.863 20 30 DHEDMO C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)[C@@H]1CC[C@H](C#N)C1 ZINC000880124843 1034218510 /nfs/dbraw/zinc/21/85/10/1034218510.db2.gz OPJUTXHJBWMXRA-JKSUJKDBSA-N 1 1 323.481 3.696 20 30 DHEDMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000880146984 1034225623 /nfs/dbraw/zinc/22/56/23/1034225623.db2.gz YWUWDYDJTTWXPE-LJQANCHMSA-N 1 1 320.436 3.818 20 30 DHEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H](CF)C2)c1 ZINC000880236865 1034257438 /nfs/dbraw/zinc/25/74/38/1034257438.db2.gz KXHRFPKKXDMPFV-GFCCVEGCSA-N 1 1 311.198 3.502 20 30 DHEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](CF)C2)c1 ZINC000880236865 1034257454 /nfs/dbraw/zinc/25/74/54/1034257454.db2.gz KXHRFPKKXDMPFV-GFCCVEGCSA-N 1 1 311.198 3.502 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CC[C@H](c3nccs3)C2)c1 ZINC000880320124 1034296554 /nfs/dbraw/zinc/29/65/54/1034296554.db2.gz PFNMHUNNXPMSQQ-AWEZNQCLSA-N 1 1 302.830 3.638 20 30 DHEDMO C#CCC1(O)CC[NH+]([C@@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000880480945 1034343542 /nfs/dbraw/zinc/34/35/42/1034343542.db2.gz IJRUXYCDGIQNTN-LBPRGKRZSA-N 1 1 312.240 3.905 20 30 DHEDMO C#CCC1(O)CC[NH+]([C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000880479762 1034343973 /nfs/dbraw/zinc/34/39/73/1034343973.db2.gz XIOMKZMWFBHTMO-LBPRGKRZSA-N 1 1 312.240 3.905 20 30 DHEDMO C[C@@]1(C/N=C/c2ccccc2O)CCC[N@H+]1Cc1ccccc1 ZINC000777402269 1034452369 /nfs/dbraw/zinc/45/23/69/1034452369.db2.gz VLTXAECPAPZDPT-LQOIVRHRSA-N 1 1 308.425 3.866 20 30 DHEDMO C=CC[N@H+](CC(=O)NCCc1c(C)cc(C)cc1C)C(C)(C)C ZINC001174641245 1034523786 /nfs/dbraw/zinc/52/37/86/1034523786.db2.gz GXFLFRWOXDPFFE-UHFFFAOYSA-N 1 1 316.489 3.557 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c(Cl)c1 ZINC001174742396 1034592129 /nfs/dbraw/zinc/59/21/29/1034592129.db2.gz LFBASPYEYMSTNP-QGZVFWFLSA-N 1 1 312.800 3.865 20 30 DHEDMO C=C(C)N(Cc1cccc(Br)c1)c1ccc[nH+]c1N ZINC001174788830 1034603168 /nfs/dbraw/zinc/60/31/68/1034603168.db2.gz VBXLAKKWTXTHAU-UHFFFAOYSA-N 1 1 318.218 3.967 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1cc(C)ccc1Cl ZINC001174779320 1034603597 /nfs/dbraw/zinc/60/35/97/1034603597.db2.gz FGPLYQWJDUDGNO-XHSDSOJGSA-N 1 1 321.848 3.571 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001174889867 1034643781 /nfs/dbraw/zinc/64/37/81/1034643781.db2.gz AAWLIBMEVGTNPQ-IAGOWNOFSA-N 1 1 322.493 3.922 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000481241748 1034688003 /nfs/dbraw/zinc/68/80/03/1034688003.db2.gz VXTGYXKCFSWASW-NSHDSACASA-N 1 1 315.244 3.679 20 30 DHEDMO CCOC(=O)c1[nH]c(C)c(C[N@H+](CCC#N)CC(C)(C)C)c1C ZINC000600117743 1034742412 /nfs/dbraw/zinc/74/24/12/1034742412.db2.gz ODZQBXQPADKJSF-UHFFFAOYSA-N 1 1 319.449 3.570 20 30 DHEDMO CCOC(=O)c1[nH]c(C)c(C[N@@H+](CCC#N)CC(C)(C)C)c1C ZINC000600117743 1034742423 /nfs/dbraw/zinc/74/24/23/1034742423.db2.gz ODZQBXQPADKJSF-UHFFFAOYSA-N 1 1 319.449 3.570 20 30 DHEDMO CCOc1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1F ZINC000600212237 1034806404 /nfs/dbraw/zinc/80/64/04/1034806404.db2.gz AGQHLSBJOUHPQR-UHFFFAOYSA-N 1 1 324.399 3.849 20 30 DHEDMO CCOc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1F ZINC000600212237 1034806417 /nfs/dbraw/zinc/80/64/17/1034806417.db2.gz AGQHLSBJOUHPQR-UHFFFAOYSA-N 1 1 324.399 3.849 20 30 DHEDMO COc1cccc2c1C[N@H+](Cc1ccc(C3(C#N)CC3)cc1)C2 ZINC000600207116 1034811501 /nfs/dbraw/zinc/81/15/01/1034811501.db2.gz IQGANASYNIRKOR-UHFFFAOYSA-N 1 1 304.393 3.766 20 30 DHEDMO COc1cccc2c1C[N@@H+](Cc1ccc(C3(C#N)CC3)cc1)C2 ZINC000600207116 1034811515 /nfs/dbraw/zinc/81/15/15/1034811515.db2.gz IQGANASYNIRKOR-UHFFFAOYSA-N 1 1 304.393 3.766 20 30 DHEDMO CCC#C[C@H](C)[N@H+]1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001175267743 1034914604 /nfs/dbraw/zinc/91/46/04/1034914604.db2.gz KDZGFYCYAYRVSV-HOTGVXAUSA-N 1 1 308.466 3.558 20 30 DHEDMO C[C@@H](Cc1ccccc1)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000481986281 1035041356 /nfs/dbraw/zinc/04/13/56/1035041356.db2.gz SDJVTMAOWACLLG-UWJYYQICSA-N 1 1 320.436 3.810 20 30 DHEDMO C[N@@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)C(C1CC1)C1CC1 ZINC000159868465 1035106528 /nfs/dbraw/zinc/10/65/28/1035106528.db2.gz NPBNJBLLKOTTJN-UHFFFAOYSA-N 1 1 307.397 3.834 20 30 DHEDMO COc1cc2c(cc1OC)[C@H](C)[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC001175882168 1035137626 /nfs/dbraw/zinc/13/76/26/1035137626.db2.gz DPBVPKAXZZEUDS-AWEZNQCLSA-N 1 1 322.408 3.695 20 30 DHEDMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC001175882168 1035137632 /nfs/dbraw/zinc/13/76/32/1035137632.db2.gz DPBVPKAXZZEUDS-AWEZNQCLSA-N 1 1 322.408 3.695 20 30 DHEDMO CCCC[N@@H+](C)CC1CCN(Cc2cc(F)ccc2C#N)CC1 ZINC000160393638 1035181787 /nfs/dbraw/zinc/18/17/87/1035181787.db2.gz XHVOHZBXHFDWQY-UHFFFAOYSA-N 1 1 317.452 3.641 20 30 DHEDMO C#CC[C@H]1CC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC001176070816 1035191052 /nfs/dbraw/zinc/19/10/52/1035191052.db2.gz QKDKGCQRVNNZIK-AWEZNQCLSA-N 1 1 311.347 3.820 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c1 ZINC001176089626 1035194254 /nfs/dbraw/zinc/19/42/54/1035194254.db2.gz ZYDGPDHNVVMEEA-PZJWPPBQSA-N 1 1 318.420 3.601 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCS[C@H](C(F)(F)F)C1 ZINC001176184249 1035214298 /nfs/dbraw/zinc/21/42/98/1035214298.db2.gz HKIIDSXDLBZFDJ-AWEZNQCLSA-N 1 1 314.376 3.655 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCS[C@H](C(F)(F)F)C1 ZINC001176184249 1035214303 /nfs/dbraw/zinc/21/43/03/1035214303.db2.gz HKIIDSXDLBZFDJ-AWEZNQCLSA-N 1 1 314.376 3.655 20 30 DHEDMO Cc1ccncc1C[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000483024884 1035217639 /nfs/dbraw/zinc/21/76/39/1035217639.db2.gz XNINJIWMLSFFCY-UHFFFAOYSA-N 1 1 318.342 3.892 20 30 DHEDMO Cc1ccncc1C[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000483024884 1035217642 /nfs/dbraw/zinc/21/76/42/1035217642.db2.gz XNINJIWMLSFFCY-UHFFFAOYSA-N 1 1 318.342 3.892 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483106828 1035226855 /nfs/dbraw/zinc/22/68/55/1035226855.db2.gz PKMQKAUJZYMSOA-QGZVFWFLSA-N 1 1 310.372 3.566 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000483106822 1035226861 /nfs/dbraw/zinc/22/68/61/1035226861.db2.gz PKMQKAUJZYMSOA-KRWDZBQOSA-N 1 1 310.372 3.566 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)cc1C#N ZINC000483303208 1035254328 /nfs/dbraw/zinc/25/43/28/1035254328.db2.gz DXYUZDPSNWSRKE-MRXNPFEDSA-N 1 1 311.404 3.806 20 30 DHEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483294893 1035254998 /nfs/dbraw/zinc/25/49/98/1035254998.db2.gz XBDISAXLIFHRJM-LJQANCHMSA-N 1 1 313.420 3.735 20 30 DHEDMO COCCCC[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000483528234 1035275689 /nfs/dbraw/zinc/27/56/89/1035275689.db2.gz MUMRLSNNXBJBIM-UHFFFAOYSA-N 1 1 307.437 3.967 20 30 DHEDMO Cc1ccc(C(=O)C2CC[NH+](CC#Cc3ccccc3)CC2)cc1 ZINC000483544286 1035278495 /nfs/dbraw/zinc/27/84/95/1035278495.db2.gz NQJJEGGYFIBKPG-UHFFFAOYSA-N 1 1 317.432 3.941 20 30 DHEDMO C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000483599199 1035282342 /nfs/dbraw/zinc/28/23/42/1035282342.db2.gz ZVTJRTNCELLOMN-LJQANCHMSA-N 1 1 319.404 3.646 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000483599199 1035282344 /nfs/dbraw/zinc/28/23/44/1035282344.db2.gz ZVTJRTNCELLOMN-LJQANCHMSA-N 1 1 319.404 3.646 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000483975967 1035312442 /nfs/dbraw/zinc/31/24/42/1035312442.db2.gz IKTVBMCRXBYRSJ-NXHRZFHOSA-N 1 1 316.420 3.723 20 30 DHEDMO O=C(C[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)c1ccc(F)cc1 ZINC000484063305 1035317971 /nfs/dbraw/zinc/31/79/71/1035317971.db2.gz AWZYXZJUBIWCDQ-FQEVSTJZSA-N 1 1 321.395 3.915 20 30 DHEDMO C=CCCCC[N@@H+]1CC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001176816048 1035331232 /nfs/dbraw/zinc/33/12/32/1035331232.db2.gz ZTFGBWOIVLVAMT-CRAIPNDOSA-N 1 1 308.466 3.722 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C3CCCC3)C2)cc1 ZINC001176941102 1035338962 /nfs/dbraw/zinc/33/89/62/1035338962.db2.gz XSVXSUNZDFUAFI-LJQANCHMSA-N 1 1 324.468 3.899 20 30 DHEDMO CCc1ccc([C@@H]2C[N@H+](Cc3ccc(CC#N)cc3)CCO2)cc1 ZINC000484577996 1035364265 /nfs/dbraw/zinc/36/42/65/1035364265.db2.gz VIJWVGAVLIRFPA-NRFANRHFSA-N 1 1 320.436 3.889 20 30 DHEDMO CCc1ccc([C@@H]2C[N@@H+](Cc3ccc(CC#N)cc3)CCO2)cc1 ZINC000484577996 1035364268 /nfs/dbraw/zinc/36/42/68/1035364268.db2.gz VIJWVGAVLIRFPA-NRFANRHFSA-N 1 1 320.436 3.889 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2c[nH]c3cc(C)ccc23)no1 ZINC000904590329 1035427769 /nfs/dbraw/zinc/42/77/69/1035427769.db2.gz VYDCWUHQLBCADU-OAHLLOKOSA-N 1 1 310.401 3.806 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cc(OC)nc3ccccc32)no1 ZINC000904619240 1035432409 /nfs/dbraw/zinc/43/24/09/1035432409.db2.gz WYMOHJRJRPDBOD-AWEZNQCLSA-N 1 1 324.384 3.650 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccccc1-c1ccc(C#N)cc1 ZINC001178697866 1035444048 /nfs/dbraw/zinc/44/40/48/1035444048.db2.gz POXIIHSEAVNFJS-LJQANCHMSA-N 1 1 319.408 3.648 20 30 DHEDMO CCCCCCCC[C@H]([NH3+])c1nc([C@@H]2CCOC[C@@H]2C)no1 ZINC000904713773 1035447213 /nfs/dbraw/zinc/44/72/13/1035447213.db2.gz XTQRMCYBKGNOKZ-ZNMIVQPWSA-N 1 1 309.454 3.960 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(C2(c3ccccc3F)CC2)no1 ZINC000904734344 1035449941 /nfs/dbraw/zinc/44/99/41/1035449941.db2.gz WXRNAMKITMRCEQ-AWEZNQCLSA-N 1 1 301.365 3.645 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(-n3cc(C)cn3)cc2)no1 ZINC000904736429 1035450169 /nfs/dbraw/zinc/45/01/69/1035450169.db2.gz PQZWESNHKLSXTH-INIZCTEOSA-N 1 1 323.400 3.587 20 30 DHEDMO CCCCCCC[C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001192937367 1035522159 /nfs/dbraw/zinc/52/21/59/1035522159.db2.gz BIKJKGWVPWGZCZ-BBWFWOEESA-N 1 1 309.498 3.614 20 30 DHEDMO C=CCCn1cc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](CC)C2)nn1 ZINC001179962543 1035561266 /nfs/dbraw/zinc/56/12/66/1035561266.db2.gz PLTXWFFPYGCDLY-XLIONFOSSA-N 1 1 324.472 3.870 20 30 DHEDMO C=CCSc1ccccc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000485460164 1035655074 /nfs/dbraw/zinc/65/50/74/1035655074.db2.gz GXDRSGAMGUQVOF-UHFFFAOYSA-N 1 1 318.486 3.569 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2OC)C1 ZINC000668492749 1035669938 /nfs/dbraw/zinc/66/99/38/1035669938.db2.gz FOLWQABAOVXLHZ-AWEZNQCLSA-N 1 1 305.418 3.501 20 30 DHEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000494626001 1035745300 /nfs/dbraw/zinc/74/53/00/1035745300.db2.gz NIUZWIPAFUKENC-SECBINFHSA-N 1 1 320.742 3.804 20 30 DHEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000494626001 1035745311 /nfs/dbraw/zinc/74/53/11/1035745311.db2.gz NIUZWIPAFUKENC-SECBINFHSA-N 1 1 320.742 3.804 20 30 DHEDMO CC(C)[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)N1CCC(C)CC1 ZINC000539499723 1035752066 /nfs/dbraw/zinc/75/20/66/1035752066.db2.gz NORNQJAUBHIMFD-PXNSSMCTSA-N 1 1 313.489 3.965 20 30 DHEDMO N#CCCCO[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001205648960 1035756245 /nfs/dbraw/zinc/75/62/45/1035756245.db2.gz QEOVBPBZGLIJHB-ZDUSSCGKSA-N 1 1 313.228 3.888 20 30 DHEDMO N#CCCCO[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001205648960 1035756258 /nfs/dbraw/zinc/75/62/58/1035756258.db2.gz QEOVBPBZGLIJHB-ZDUSSCGKSA-N 1 1 313.228 3.888 20 30 DHEDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001194020634 1035804017 /nfs/dbraw/zinc/80/40/17/1035804017.db2.gz MDADTHXJJKNOAM-QGZVFWFLSA-N 1 1 306.837 3.585 20 30 DHEDMO C=CCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000539837967 1035881546 /nfs/dbraw/zinc/88/15/46/1035881546.db2.gz GFIDHQVTMJAALT-AEFFLSMTSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000539837967 1035881551 /nfs/dbraw/zinc/88/15/51/1035881551.db2.gz GFIDHQVTMJAALT-AEFFLSMTSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1cccc(C[N@@H+](C)[C@H]2CCN(CC)[C@H](C)C2)c1 ZINC000539837967 1035881604 /nfs/dbraw/zinc/88/16/04/1035881604.db2.gz GFIDHQVTMJAALT-AEFFLSMTSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1cccc(C[N@H+](C)[C@H]2CCN(CC)[C@H](C)C2)c1 ZINC000539837967 1035881619 /nfs/dbraw/zinc/88/16/19/1035881619.db2.gz GFIDHQVTMJAALT-AEFFLSMTSA-N 1 1 302.462 3.556 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc2[nH]cnc2c1 ZINC000539823251 1035882936 /nfs/dbraw/zinc/88/29/36/1035882936.db2.gz XMFNOYJWGOSPHY-PXNSSMCTSA-N 1 1 316.408 3.835 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc2nc[nH]c2c1 ZINC000539823251 1035882953 /nfs/dbraw/zinc/88/29/53/1035882953.db2.gz XMFNOYJWGOSPHY-PXNSSMCTSA-N 1 1 316.408 3.835 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc2nc[nH]c2c1 ZINC000539823251 1035882969 /nfs/dbraw/zinc/88/29/69/1035882969.db2.gz XMFNOYJWGOSPHY-PXNSSMCTSA-N 1 1 316.408 3.835 20 30 DHEDMO N#C[C@H](c1ccccc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000149132265 1035916090 /nfs/dbraw/zinc/91/60/90/1035916090.db2.gz XAKHSBDMNYYOQU-PWYGHMFVSA-N 1 1 317.436 3.582 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)cc1 ZINC000485804512 1035975913 /nfs/dbraw/zinc/97/59/13/1035975913.db2.gz HSNGTTZJOXQSKC-NRFANRHFSA-N 1 1 318.420 3.836 20 30 DHEDMO C=CCCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000540297930 1036031355 /nfs/dbraw/zinc/03/13/55/1036031355.db2.gz SVBCVYKANLPKOQ-RHSMWYFYSA-N 1 1 304.409 3.608 20 30 DHEDMO CCC[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000540349662 1036043718 /nfs/dbraw/zinc/04/37/18/1036043718.db2.gz FRBOQSAQQWPPJG-CGTJXYLNSA-N 1 1 316.420 3.723 20 30 DHEDMO C=CC[N@@H+](Cc1nc(COC(C)C)no1)CC1CCCCC1 ZINC000929623345 1036110997 /nfs/dbraw/zinc/11/09/97/1036110997.db2.gz AJXXOSCPZSBMQU-UHFFFAOYSA-N 1 1 307.438 3.563 20 30 DHEDMO C=CC[N@H+](Cc1nc(COC(C)C)no1)CC1CCCCC1 ZINC000929623345 1036111015 /nfs/dbraw/zinc/11/10/15/1036111015.db2.gz AJXXOSCPZSBMQU-UHFFFAOYSA-N 1 1 307.438 3.563 20 30 DHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000494950576 1036148159 /nfs/dbraw/zinc/14/81/59/1036148159.db2.gz HKIFSLFMXFHTAB-LSDHHAIUSA-N 1 1 323.481 3.551 20 30 DHEDMO C=CCC[C@H](C(=O)NCCC[N@H+](C)C(C)C)c1ccccc1 ZINC000495004519 1036181891 /nfs/dbraw/zinc/18/18/91/1036181891.db2.gz GOHVAZLEYRWVBE-SFHVURJKSA-N 1 1 302.462 3.583 20 30 DHEDMO C=CCCCC(=O)N[C@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000907814837 1036278592 /nfs/dbraw/zinc/27/85/92/1036278592.db2.gz HIPDAECXWDXGSL-HNNXBMFYSA-N 1 1 315.461 3.787 20 30 DHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000165789899 1036346091 /nfs/dbraw/zinc/34/60/91/1036346091.db2.gz WODWYXIVJOPKJL-GOSISDBHSA-N 1 1 311.429 3.541 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC(C)(C)C1 ZINC000541554358 1036359511 /nfs/dbraw/zinc/35/95/11/1036359511.db2.gz YVLTZRDKUNNUGD-HNNXBMFYSA-N 1 1 322.456 3.827 20 30 DHEDMO Cc1cc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)ccc1C#N ZINC000487864258 1036359979 /nfs/dbraw/zinc/35/99/79/1036359979.db2.gz BCPKSBKLJKMODK-FQEVSTJZSA-N 1 1 306.409 3.613 20 30 DHEDMO Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)ccc1C#N ZINC000486732803 1036381362 /nfs/dbraw/zinc/38/13/62/1036381362.db2.gz SBUDADFIQFXWLG-JXFKEZNVSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1cc(C[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)ccc1C#N ZINC000486732803 1036381375 /nfs/dbraw/zinc/38/13/75/1036381375.db2.gz SBUDADFIQFXWLG-JXFKEZNVSA-N 1 1 306.409 3.829 20 30 DHEDMO C#CC(C)(C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC001182636365 1036405199 /nfs/dbraw/zinc/40/51/99/1036405199.db2.gz PFVZTVZAKNVYAI-UHFFFAOYSA-N 1 1 309.413 3.653 20 30 DHEDMO COc1cccc([C@]2(C)CC[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC000595762895 1036408243 /nfs/dbraw/zinc/40/82/43/1036408243.db2.gz BHKCWPSUMKANJY-GOSISDBHSA-N 1 1 312.438 3.792 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC001182605873 1036410848 /nfs/dbraw/zinc/41/08/48/1036410848.db2.gz XTVXYAOJMBSONR-CYBMUJFWSA-N 1 1 305.443 3.549 20 30 DHEDMO CC(C)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC001196040468 1036427985 /nfs/dbraw/zinc/42/79/85/1036427985.db2.gz WYVAXBXWCNITEJ-UHFFFAOYSA-N 1 1 313.332 3.630 20 30 DHEDMO C=CC[N@@H+](C[C@@H]1CCC[C@H](c2ccccc2)O1)[C@@H](C)COC ZINC001196048501 1036430192 /nfs/dbraw/zinc/43/01/92/1036430192.db2.gz WOTIQNKILWTQJC-YTQUADARSA-N 1 1 303.446 3.820 20 30 DHEDMO C=C(C)C[N@@H+](CC)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000301313577 1036462891 /nfs/dbraw/zinc/46/28/91/1036462891.db2.gz FMMUKFZITFWFEA-KRWDZBQOSA-N 1 1 305.462 3.622 20 30 DHEDMO N#CCC1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000541948122 1036469308 /nfs/dbraw/zinc/46/93/08/1036469308.db2.gz GLCWCUVEUDMXTH-UHFFFAOYSA-N 1 1 311.454 3.860 20 30 DHEDMO N#CCC1CC[NH+](Cc2coc(-c3ccc(F)c(F)c3)n2)CC1 ZINC000541951738 1036469923 /nfs/dbraw/zinc/46/99/23/1036469923.db2.gz HTTIJLYSVBKKDH-UHFFFAOYSA-N 1 1 317.339 3.745 20 30 DHEDMO COC(=O)c1cccc(C[N@H+]2CC(C)(C)CCC2(C)C)c1C#N ZINC001196276590 1036494878 /nfs/dbraw/zinc/49/48/78/1036494878.db2.gz VGPBVGNANYYIKG-UHFFFAOYSA-N 1 1 314.429 3.745 20 30 DHEDMO C=CCCC[N@@H+]1CCc2ccccc2[C@H]1C(=O)OC(C)(C)C ZINC001196301663 1036500130 /nfs/dbraw/zinc/50/01/30/1036500130.db2.gz BWUPHLBEZSESBU-KRWDZBQOSA-N 1 1 301.430 3.894 20 30 DHEDMO C=CCCC[N@H+]1CCc2ccccc2[C@H]1C(=O)OC(C)(C)C ZINC001196301663 1036500143 /nfs/dbraw/zinc/50/01/43/1036500143.db2.gz BWUPHLBEZSESBU-KRWDZBQOSA-N 1 1 301.430 3.894 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](CCc1ccccc1)C(=O)OCC ZINC001196328458 1036506364 /nfs/dbraw/zinc/50/63/64/1036506364.db2.gz AGFLKOKAGFWOCG-OTWHNJEPSA-N 1 1 313.441 3.734 20 30 DHEDMO C=CCSc1ccccc1C(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000487143223 1036544097 /nfs/dbraw/zinc/54/40/97/1036544097.db2.gz VZYOJTBDXWGAQH-HNNXBMFYSA-N 1 1 318.486 3.567 20 30 DHEDMO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nnc2n1CCCCC2 ZINC000271824043 1036550299 /nfs/dbraw/zinc/55/02/99/1036550299.db2.gz CYBBBNBLHYTSDW-PBHICJAKSA-N 1 1 323.444 3.678 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1F)Cc1cccc(OC)c1O ZINC000092404628 1036578561 /nfs/dbraw/zinc/57/85/61/1036578561.db2.gz VZBAIMCPBBVZBQ-UHFFFAOYSA-N 1 1 301.361 3.728 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1F)Cc1cccc(OC)c1O ZINC000092404628 1036578581 /nfs/dbraw/zinc/57/85/81/1036578581.db2.gz VZBAIMCPBBVZBQ-UHFFFAOYSA-N 1 1 301.361 3.728 20 30 DHEDMO C#CC[N@@H+](C/C(C)=C/c1ccccc1OC(F)F)C1CSC1 ZINC001183418885 1036593406 /nfs/dbraw/zinc/59/34/06/1036593406.db2.gz DSAGVQACRVIWTO-UKTHLTGXSA-N 1 1 323.408 3.742 20 30 DHEDMO C#CC[N@H+](C/C(C)=C/c1ccccc1OC(F)F)C1CSC1 ZINC001183418885 1036593416 /nfs/dbraw/zinc/59/34/16/1036593416.db2.gz DSAGVQACRVIWTO-UKTHLTGXSA-N 1 1 323.408 3.742 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC000303622353 1036606538 /nfs/dbraw/zinc/60/65/38/1036606538.db2.gz XEPLLFIIXDCNRH-OAHLLOKOSA-N 1 1 306.425 3.633 20 30 DHEDMO C=C(C)CC[N@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001196935449 1036650550 /nfs/dbraw/zinc/65/05/50/1036650550.db2.gz JFGXBXROKYHEHQ-AWEZNQCLSA-N 1 1 318.244 3.631 20 30 DHEDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000495653358 1036806963 /nfs/dbraw/zinc/80/69/63/1036806963.db2.gz RINBTFLOZFIACH-SFHVURJKSA-N 1 1 323.481 3.553 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000150184416 1036813148 /nfs/dbraw/zinc/81/31/48/1036813148.db2.gz KTRJSLFAMOYOBD-HNNXBMFYSA-N 1 1 307.397 3.580 20 30 DHEDMO C=CCC1(O)C[NH+](C/C(C)=C/c2ccccc2C(F)(F)F)C1 ZINC001184337434 1036816886 /nfs/dbraw/zinc/81/68/86/1036816886.db2.gz GQKLVLHPZAUNAR-UKTHLTGXSA-N 1 1 311.347 3.732 20 30 DHEDMO C#CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C(C)(C)C ZINC001197937994 1036911756 /nfs/dbraw/zinc/91/17/56/1036911756.db2.gz UTBSJTDKVZNFJC-UHFFFAOYSA-N 1 1 304.390 3.616 20 30 DHEDMO C#CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C(C)(C)C ZINC001197937994 1036911767 /nfs/dbraw/zinc/91/17/67/1036911767.db2.gz UTBSJTDKVZNFJC-UHFFFAOYSA-N 1 1 304.390 3.616 20 30 DHEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1cccc(C)c1)C2 ZINC001203890888 1036925681 /nfs/dbraw/zinc/92/56/81/1036925681.db2.gz NOCYKMIFNPZRDG-FQEVSTJZSA-N 1 1 312.457 3.528 20 30 DHEDMO Cc1cc(C[NH2+]Cc2coc(-c3cccs3)n2)ccc1C#N ZINC000443990195 1036970119 /nfs/dbraw/zinc/97/01/19/1036970119.db2.gz SGDIUEUFYBBLOQ-UHFFFAOYSA-N 1 1 309.394 3.873 20 30 DHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)Cc1ccccc1 ZINC000488344142 1036984322 /nfs/dbraw/zinc/98/43/22/1036984322.db2.gz LFIUZKFUGPXAEG-OAQYLSRUSA-N 1 1 322.452 3.620 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCCSC[C@H]2C2CC2)c1 ZINC001198279163 1036988986 /nfs/dbraw/zinc/98/89/86/1036988986.db2.gz PHBDDMKBSDIEFA-INIZCTEOSA-N 1 1 306.862 3.929 20 30 DHEDMO C=CCC[C@H]1CCC[N@H+]1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC001198414416 1037014245 /nfs/dbraw/zinc/01/42/45/1037014245.db2.gz RBDNSQBCQQIYRV-ICSRJNTNSA-N 1 1 312.457 3.685 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488449267 1037033794 /nfs/dbraw/zinc/03/37/94/1037033794.db2.gz PBKJZYXTSXLQSL-GOSISDBHSA-N 1 1 306.409 3.865 20 30 DHEDMO C=CC[C@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000488613822 1037091924 /nfs/dbraw/zinc/09/19/24/1037091924.db2.gz OIKGEEDGPBFLDT-LNLFQRSKSA-N 1 1 314.473 3.725 20 30 DHEDMO Cn1c[nH+]c2c1ccc1c2CCCN1CC1CCC(C#N)CC1 ZINC001198676019 1037105682 /nfs/dbraw/zinc/10/56/82/1037105682.db2.gz DJMKCHVGROQOIT-UHFFFAOYSA-N 1 1 308.429 3.656 20 30 DHEDMO CN(C[C@H]1CCC[N@H+]1CCCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000493051215 1037133308 /nfs/dbraw/zinc/13/33/08/1037133308.db2.gz KMISTQGXYYBFGN-OAHLLOKOSA-N 1 1 323.481 3.648 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)Cc2ccc(F)cc2)c(O)c(OC)c1 ZINC000915826214 1037242714 /nfs/dbraw/zinc/24/27/14/1037242714.db2.gz WWWQKYYERIYEPG-UHFFFAOYSA-N 1 1 315.388 3.900 20 30 DHEDMO C=C(Cl)C[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000775968232 1037268091 /nfs/dbraw/zinc/26/80/91/1037268091.db2.gz IAMHBVGXAUAWNQ-UHFFFAOYSA-N 1 1 305.761 3.575 20 30 DHEDMO C=CCOc1ccc(C[N@H+](Cc2cnn(C)c2)C(C)(C)C)cc1 ZINC000177847755 1037275472 /nfs/dbraw/zinc/27/54/72/1037275472.db2.gz GRWAZUNOJVIBRB-UHFFFAOYSA-N 1 1 313.445 3.786 20 30 DHEDMO Cc1cc(C#N)cc(C)c1CNC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001199638968 1037293651 /nfs/dbraw/zinc/29/36/51/1037293651.db2.gz IRQHIQVIPMPSKG-YWZLYKJASA-N 1 1 313.489 3.775 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000776016216 1037311244 /nfs/dbraw/zinc/31/12/44/1037311244.db2.gz ZNWZNQVZCAZUPQ-CZUORRHYSA-N 1 1 311.347 3.861 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000489473160 1037450737 /nfs/dbraw/zinc/45/07/37/1037450737.db2.gz IMVPEQAYZFWMIA-LSDHHAIUSA-N 1 1 313.363 3.649 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000489483050 1037459275 /nfs/dbraw/zinc/45/92/75/1037459275.db2.gz VQCORJDPKIBMSO-CYBMUJFWSA-N 1 1 310.800 3.848 20 30 DHEDMO C#Cc1ccc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC001200942140 1037483540 /nfs/dbraw/zinc/48/35/40/1037483540.db2.gz NMDGYJHPMBXKFA-SFHVURJKSA-N 1 1 306.453 3.668 20 30 DHEDMO C#Cc1ccc(CNCC[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC001200942140 1037483546 /nfs/dbraw/zinc/48/35/46/1037483546.db2.gz NMDGYJHPMBXKFA-SFHVURJKSA-N 1 1 306.453 3.668 20 30 DHEDMO C#Cc1ccc(CNCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC001200942140 1037483551 /nfs/dbraw/zinc/48/35/51/1037483551.db2.gz NMDGYJHPMBXKFA-SFHVURJKSA-N 1 1 306.453 3.668 20 30 DHEDMO C#Cc1ccc(C[NH2+]CC[C@H](C)N(C)Cc2ccccc2)cc1 ZINC001200942140 1037483567 /nfs/dbraw/zinc/48/35/67/1037483567.db2.gz NMDGYJHPMBXKFA-SFHVURJKSA-N 1 1 306.453 3.668 20 30 DHEDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763242320 1037525890 /nfs/dbraw/zinc/52/58/90/1037525890.db2.gz UONPVCGRNMPPPW-RTWAWAEBSA-N 1 1 320.436 3.847 20 30 DHEDMO C=CCC(C)(C)CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000489858002 1037546684 /nfs/dbraw/zinc/54/66/84/1037546684.db2.gz JVZXQYONOCYWMP-GOSISDBHSA-N 1 1 314.473 3.617 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1n1ccnc1 ZINC000614176137 1037550897 /nfs/dbraw/zinc/55/08/97/1037550897.db2.gz JJSHNLAPXSWCFH-APWZRJJASA-N 1 1 322.456 3.767 20 30 DHEDMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1CCCC#N ZINC000493975635 1037604312 /nfs/dbraw/zinc/60/43/12/1037604312.db2.gz UPKXTRMYBBWXDS-JKSUJKDBSA-N 1 1 321.465 3.544 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CC1CCCCC1)CC2 ZINC001201394168 1037626795 /nfs/dbraw/zinc/62/67/95/1037626795.db2.gz RDLBIDLHTZFSOO-IBGZPJMESA-N 1 1 304.478 3.600 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2cccc3[nH]ccc32)cc1C#N ZINC000494059945 1037632560 /nfs/dbraw/zinc/63/25/60/1037632560.db2.gz KTTWADRFRAITPF-UHFFFAOYSA-N 1 1 305.381 3.680 20 30 DHEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](CC1CCCCC1)C2 ZINC001201390555 1037649676 /nfs/dbraw/zinc/64/96/76/1037649676.db2.gz XTJHAUTUKPTSED-RBUKOAKNSA-N 1 1 307.478 3.640 20 30 DHEDMO Cc1ccnc(N=NC2C[N@H+](Cc3ccccc3)CC[C@@H]2C)c1 ZINC000776187949 1037682653 /nfs/dbraw/zinc/68/26/53/1037682653.db2.gz QPMZJMIJPHZQAY-INIZCTEOSA-N 1 1 308.429 3.700 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000490363123 1037689077 /nfs/dbraw/zinc/68/90/77/1037689077.db2.gz GBBXUGAFKTUONA-QRWLVFNGSA-N 1 1 306.409 3.865 20 30 DHEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000490354347 1037693196 /nfs/dbraw/zinc/69/31/96/1037693196.db2.gz KURJBHTWXQZXSY-HZPDHXFCSA-N 1 1 322.456 3.969 20 30 DHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000916151433 1037698751 /nfs/dbraw/zinc/69/87/51/1037698751.db2.gz ILOFGDSNHCZPJH-CABCVRRESA-N 1 1 319.408 3.505 20 30 DHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000916151433 1037698755 /nfs/dbraw/zinc/69/87/55/1037698755.db2.gz ILOFGDSNHCZPJH-CABCVRRESA-N 1 1 319.408 3.505 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC000490434072 1037714278 /nfs/dbraw/zinc/71/42/78/1037714278.db2.gz FBSFJTUZNWIWQQ-CYBMUJFWSA-N 1 1 307.353 3.999 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(-c2ccco2)on1 ZINC000490434072 1037714294 /nfs/dbraw/zinc/71/42/94/1037714294.db2.gz FBSFJTUZNWIWQQ-CYBMUJFWSA-N 1 1 307.353 3.999 20 30 DHEDMO C=CCOC(=O)N1CCC2(CCC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001201500176 1037717700 /nfs/dbraw/zinc/71/77/00/1037717700.db2.gz XVEZGUPAFHHSEC-MRXNPFEDSA-N 1 1 308.466 3.533 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000185239435 1037787612 /nfs/dbraw/zinc/78/76/12/1037787612.db2.gz TYZNLBNUQZOYHS-KRWDZBQOSA-N 1 1 306.494 3.703 20 30 DHEDMO C#CC[NH2+]CC(=O)Nc1ccc(Sc2ccc(C)cc2C)cc1 ZINC000916573723 1037788088 /nfs/dbraw/zinc/78/80/88/1037788088.db2.gz WOOFKBLZJZBIRQ-UHFFFAOYSA-N 1 1 324.449 3.616 20 30 DHEDMO CCCCCCCCCCC[N@H+]1Cc2ccnn2CC[C@@H]1CO ZINC001201631739 1037799645 /nfs/dbraw/zinc/79/96/45/1037799645.db2.gz ZRGNWTUETDKTOA-LJQANCHMSA-N 1 1 321.509 3.981 20 30 DHEDMO CCCCCCCCCCC[N@H+](C)CCN1CCN(C)CC1 ZINC001201631271 1037802098 /nfs/dbraw/zinc/80/20/98/1037802098.db2.gz NQHGQCPRMLNVAG-UHFFFAOYSA-N 1 1 311.558 3.696 20 30 DHEDMO CCCCCCCCCCC[N@@H+](C)CCN1CCN(C)CC1 ZINC001201631271 1037802111 /nfs/dbraw/zinc/80/21/11/1037802111.db2.gz NQHGQCPRMLNVAG-UHFFFAOYSA-N 1 1 311.558 3.696 20 30 DHEDMO NC(CCc1ccccc1)=[NH+]OCc1ncc(-c2ccccc2)o1 ZINC000151284190 1037804633 /nfs/dbraw/zinc/80/46/33/1037804633.db2.gz YPNKXJBXIWJHLM-UHFFFAOYSA-N 1 1 321.380 3.763 20 30 DHEDMO CC[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763410621 1037824682 /nfs/dbraw/zinc/82/46/82/1037824682.db2.gz NASBCARMCYLJDD-VQTJNVASSA-N 1 1 306.409 3.601 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000185649539 1037824974 /nfs/dbraw/zinc/82/49/74/1037824974.db2.gz FOWVKFIJUUMWFN-ZWKOTPCHSA-N 1 1 314.473 3.712 20 30 DHEDMO CCC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC000763407981 1037825838 /nfs/dbraw/zinc/82/58/38/1037825838.db2.gz NFPZDGPUIKDCPE-NHCUHLMSSA-N 1 1 320.436 3.991 20 30 DHEDMO CCCCCCCC[N@@H+]1Cc2nn(CC)cc2[C@@H](COC)C1 ZINC001201804723 1037902088 /nfs/dbraw/zinc/90/20/88/1037902088.db2.gz RIVBZCMNHNSOOF-MRXNPFEDSA-N 1 1 307.482 3.809 20 30 DHEDMO CCCCCCCCC[N@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001201839658 1037917446 /nfs/dbraw/zinc/91/74/46/1037917446.db2.gz OVFAEMVCPORXRC-IBGZPJMESA-N 1 1 316.493 3.882 20 30 DHEDMO CCCCCCCCC[N@@H+]1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001201839620 1037918402 /nfs/dbraw/zinc/91/84/02/1037918402.db2.gz OLBMAKTZSIVABZ-QGZVFWFLSA-N 1 1 307.482 3.716 20 30 DHEDMO CCCCCCCCC[N@@H+]1Cc2nccn2C[C@@H](COC)C1 ZINC001201840112 1037918890 /nfs/dbraw/zinc/91/88/90/1037918890.db2.gz UHKOLZFANPVOSL-KRWDZBQOSA-N 1 1 307.482 3.712 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000494232736 1037994899 /nfs/dbraw/zinc/99/48/99/1037994899.db2.gz CIXPNKNVJGKBEL-SOBQPUOHSA-N 1 1 312.457 3.611 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000494232734 1037996625 /nfs/dbraw/zinc/99/66/25/1037996625.db2.gz CIXPNKNVJGKBEL-ODECOBMASA-N 1 1 312.457 3.611 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCC(C)(C)C)[C@@H]2CC ZINC001202073168 1038037742 /nfs/dbraw/zinc/03/77/42/1038037742.db2.gz JRNSHKDLOIELCW-APWZRJJASA-N 1 1 306.494 3.844 20 30 DHEDMO Cc1ccc(OCC[N@@H+](C)CCCOc2ccc(C#N)cc2)cc1 ZINC000917021182 1038120270 /nfs/dbraw/zinc/12/02/70/1038120270.db2.gz RSDSSSHYUAQKNY-UHFFFAOYSA-N 1 1 324.424 3.646 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1ncc(Cl)c1C ZINC000156525167 1038127998 /nfs/dbraw/zinc/12/79/98/1038127998.db2.gz QDDCGMHQKSYPFF-UHFFFAOYSA-N 1 1 302.809 3.586 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1ncc(Cl)c1C ZINC000156525167 1038128011 /nfs/dbraw/zinc/12/80/11/1038128011.db2.gz QDDCGMHQKSYPFF-UHFFFAOYSA-N 1 1 302.809 3.586 20 30 DHEDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2F)C2CC2)cc1 ZINC000917074228 1038161623 /nfs/dbraw/zinc/16/16/23/1038161623.db2.gz UXIHYPZPVVPTTL-UHFFFAOYSA-N 1 1 323.415 3.928 20 30 DHEDMO C=CC[N@H+](CC(=O)N1CC[C@@H](C)Sc2ccccc21)C(C)C ZINC000917070859 1038170037 /nfs/dbraw/zinc/17/00/37/1038170037.db2.gz HXPPERKVZJUFAB-OAHLLOKOSA-N 1 1 318.486 3.800 20 30 DHEDMO C=CC[N@@H+](CC(=O)N1CC[C@@H](C)Sc2ccccc21)C(C)C ZINC000917070859 1038170050 /nfs/dbraw/zinc/17/00/50/1038170050.db2.gz HXPPERKVZJUFAB-OAHLLOKOSA-N 1 1 318.486 3.800 20 30 DHEDMO C=CC[N@@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C(C)C ZINC000917071309 1038170909 /nfs/dbraw/zinc/17/09/09/1038170909.db2.gz QRPFWYVPYLWSJA-GFCCVEGCSA-N 1 1 318.244 3.630 20 30 DHEDMO C[NH+](C)Cc1cc(NC(=O)CCCCCC#N)ccc1Cl ZINC000588729230 1038333305 /nfs/dbraw/zinc/33/33/05/1038333305.db2.gz SJJSOZNJXKAGPY-UHFFFAOYSA-N 1 1 307.825 3.814 20 30 DHEDMO C#CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000775399005 1038352654 /nfs/dbraw/zinc/35/26/54/1038352654.db2.gz DLCIAHLTBNVTBF-OAHLLOKOSA-N 1 1 321.336 3.590 20 30 DHEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000056492879 1038454991 /nfs/dbraw/zinc/45/49/91/1038454991.db2.gz IZJXUGITACXMTR-INIZCTEOSA-N 1 1 323.415 3.576 20 30 DHEDMO C[C@@H](c1cccc(F)c1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000056492879 1038454996 /nfs/dbraw/zinc/45/49/96/1038454996.db2.gz IZJXUGITACXMTR-INIZCTEOSA-N 1 1 323.415 3.576 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000589280550 1038457582 /nfs/dbraw/zinc/45/75/82/1038457582.db2.gz RTODBAMKXNCGPN-JXFKEZNVSA-N 1 1 317.436 3.756 20 30 DHEDMO Cc1ccc([C@H]2CCCC[N@H+]2C[C@H](O)CC2(C#N)CCC2)cc1 ZINC001191193509 1038458277 /nfs/dbraw/zinc/45/82/77/1038458277.db2.gz MRFCTYUQDKQINM-RTBURBONSA-N 1 1 312.457 3.967 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCC3(C2)CCCCC3)cc1 ZINC001191203573 1038460440 /nfs/dbraw/zinc/46/04/40/1038460440.db2.gz NRUABUPBFBXKKK-UHFFFAOYSA-N 1 1 310.441 3.653 20 30 DHEDMO Cc1ccc(CN2CC[C@H](C[N@H+](C)[C@H](C)CCC#N)C2)s1 ZINC000572606565 1038475848 /nfs/dbraw/zinc/47/58/48/1038475848.db2.gz XUZHRVWZLLCPKV-GDBMZVCRSA-N 1 1 305.491 3.503 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1C)[C@@H](COC)Cc1ccccc1 ZINC001191453033 1038499005 /nfs/dbraw/zinc/49/90/05/1038499005.db2.gz BQMMBGBKBXKIRF-OAQYLSRUSA-N 1 1 322.452 3.946 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(Br)c(F)c1F)CC1CC1 ZINC001192304151 1038632365 /nfs/dbraw/zinc/63/23/65/1038632365.db2.gz RRUNNRSMUFCWHJ-UHFFFAOYSA-N 1 1 314.173 3.573 20 30 DHEDMO C#CC[N@H+](Cc1ccc(Br)c(F)c1F)CC1CC1 ZINC001192304151 1038632368 /nfs/dbraw/zinc/63/23/68/1038632368.db2.gz RRUNNRSMUFCWHJ-UHFFFAOYSA-N 1 1 314.173 3.573 20 30 DHEDMO CCCCCCC[C@H](C)NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001192944318 1038717704 /nfs/dbraw/zinc/71/77/04/1038717704.db2.gz NIWIAEQHBPSJBS-DLBZAZTESA-N 1 1 311.514 3.767 20 30 DHEDMO CCCCCCC[C@H](C)NC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001192944889 1038718271 /nfs/dbraw/zinc/71/82/71/1038718271.db2.gz ZMYAWMQDGIAVEA-NXOAAHMSSA-N 1 1 309.498 3.660 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000760822591 1038816917 /nfs/dbraw/zinc/81/69/17/1038816917.db2.gz BQVYULPFPRKPQO-OAHLLOKOSA-N 1 1 301.352 3.854 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cncc(OCC)c1 ZINC000598670787 1038827560 /nfs/dbraw/zinc/82/75/60/1038827560.db2.gz QDUHDBYCBYIXDM-UHFFFAOYSA-N 1 1 307.397 3.540 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cncc(OCC)c1 ZINC000598670787 1038827587 /nfs/dbraw/zinc/82/75/87/1038827587.db2.gz QDUHDBYCBYIXDM-UHFFFAOYSA-N 1 1 307.397 3.540 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)n1cc(C[N@@H+](C)C2CCCCC2)nn1 ZINC000603235125 1038876387 /nfs/dbraw/zinc/87/63/87/1038876387.db2.gz OIPJDKHJXSKUKP-OAHLLOKOSA-N 1 1 323.444 3.524 20 30 DHEDMO N#Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000591573412 1038937351 /nfs/dbraw/zinc/93/73/51/1038937351.db2.gz UKKXBHMARVZFIK-BPQIPLTHSA-N 1 1 317.864 3.612 20 30 DHEDMO COc1ccc(COCC[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000591853698 1039034320 /nfs/dbraw/zinc/03/43/20/1039034320.db2.gz YTLKPLPHXOGNCQ-MRXNPFEDSA-N 1 1 324.424 3.776 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000592070993 1039116307 /nfs/dbraw/zinc/11/63/07/1039116307.db2.gz BYXRHJIRDGCDTQ-NRFANRHFSA-N 1 1 317.436 3.823 20 30 DHEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CCC2)c1 ZINC000592139317 1039134046 /nfs/dbraw/zinc/13/40/46/1039134046.db2.gz VDMHCEAWXRYGIH-OAQYLSRUSA-N 1 1 320.436 3.721 20 30 DHEDMO C[C@]1(Cc2ccccc2F)CCC[N@H+]1Cc1ccncc1C#N ZINC000592143562 1039138316 /nfs/dbraw/zinc/13/83/16/1039138316.db2.gz IEDKHSZTVWFLIR-LJQANCHMSA-N 1 1 309.388 3.690 20 30 DHEDMO COc1cc(C#N)ccc1C[NH2+]C1(c2ccccc2F)CCC1 ZINC000592145079 1039138745 /nfs/dbraw/zinc/13/87/45/1039138745.db2.gz UQBSNPIZXZOUFU-UHFFFAOYSA-N 1 1 310.372 3.875 20 30 DHEDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1C#N ZINC000599393591 1039147755 /nfs/dbraw/zinc/14/77/55/1039147755.db2.gz KMRNSWNCYFOZER-VAMGGRTRSA-N 1 1 312.457 3.772 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](O)[C@@H]2CCc2ccccc2)c1 ZINC000592168559 1039164041 /nfs/dbraw/zinc/16/40/41/1039164041.db2.gz RNAYLXAWOLSESU-SFTDATJTSA-N 1 1 320.436 3.516 20 30 DHEDMO C[N@@H+](CCOc1cccc(C#N)c1)[C@H]1CCCc2ccccc21 ZINC000603837442 1039175741 /nfs/dbraw/zinc/17/57/41/1039175741.db2.gz UXMKMMYXQQDJBN-FQEVSTJZSA-N 1 1 306.409 3.946 20 30 DHEDMO N#CCCCC[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000599682855 1039269453 /nfs/dbraw/zinc/26/94/53/1039269453.db2.gz MBXCIECDLCGCQC-UHFFFAOYSA-N 1 1 311.198 3.640 20 30 DHEDMO COC(=O)[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)[C@@H]2CCC[C@H]21 ZINC000599646231 1039245764 /nfs/dbraw/zinc/24/57/64/1039245764.db2.gz HGIIKHITYPFBIL-GVDBMIGSSA-N 1 1 318.461 3.514 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000599643818 1039247029 /nfs/dbraw/zinc/24/70/29/1039247029.db2.gz VVQLJVHDWUKVHN-IBGZPJMESA-N 1 1 324.399 3.786 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000599643818 1039247037 /nfs/dbraw/zinc/24/70/37/1039247037.db2.gz VVQLJVHDWUKVHN-IBGZPJMESA-N 1 1 324.399 3.786 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](CCc3ccc(C#N)cc3)C2)cc1F ZINC000599674743 1039256130 /nfs/dbraw/zinc/25/61/30/1039256130.db2.gz CNIFMKVPGWWQNI-SFHVURJKSA-N 1 1 324.399 3.738 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679828 1039266718 /nfs/dbraw/zinc/26/67/18/1039266718.db2.gz YBVJPFFCBPSXJR-HNNXBMFYSA-N 1 1 301.393 3.744 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1F ZINC000599681673 1039269242 /nfs/dbraw/zinc/26/92/42/1039269242.db2.gz YCVIIVUUFPIMTA-KRWDZBQOSA-N 1 1 310.372 3.695 20 30 DHEDMO N#CCCCC[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000599682855 1039269448 /nfs/dbraw/zinc/26/94/48/1039269448.db2.gz MBXCIECDLCGCQC-UHFFFAOYSA-N 1 1 311.198 3.640 20 30 DHEDMO C/C=C/C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000599688053 1039269670 /nfs/dbraw/zinc/26/96/70/1039269670.db2.gz BRRSERMTLFRETC-KZSQQDEKSA-N 1 1 311.429 3.565 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000171137259 1039279353 /nfs/dbraw/zinc/27/93/53/1039279353.db2.gz UYWMDDPROIRZET-UHFFFAOYSA-N 1 1 315.760 3.752 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000171137259 1039279370 /nfs/dbraw/zinc/27/93/70/1039279370.db2.gz UYWMDDPROIRZET-UHFFFAOYSA-N 1 1 315.760 3.752 20 30 DHEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CCC#N)CC(CC)CC ZINC000592758102 1039282096 /nfs/dbraw/zinc/28/20/96/1039282096.db2.gz GUNZMRQCERGPGL-HNNXBMFYSA-N 1 1 318.465 3.575 20 30 DHEDMO N#Cc1ccccc1N1CCC[N@@H+](C/C=C/c2ccccc2)CC1 ZINC000058580566 1039294900 /nfs/dbraw/zinc/29/49/00/1039294900.db2.gz VGRZFGICBRWRLT-UXBLZVDNSA-N 1 1 317.436 3.784 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000593030850 1039361650 /nfs/dbraw/zinc/36/16/50/1039361650.db2.gz OAHWUJKPINAVMA-UHFFFAOYSA-N 1 1 309.369 3.834 20 30 DHEDMO CCOc1cccc(C[NH2+]CC2(C#N)CCCC2)c1OC(F)F ZINC000593650611 1039575734 /nfs/dbraw/zinc/57/57/34/1039575734.db2.gz WIMPXEGBMXUHEL-UHFFFAOYSA-N 1 1 324.371 3.860 20 30 DHEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000593659358 1039583456 /nfs/dbraw/zinc/58/34/56/1039583456.db2.gz LBVFKXVXBGNVTL-LJQANCHMSA-N 1 1 316.445 3.759 20 30 DHEDMO C=CCNC(=O)C[N@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000605000442 1039603139 /nfs/dbraw/zinc/60/31/39/1039603139.db2.gz RIICTLCZVXUERQ-INIZCTEOSA-N 1 1 306.837 3.559 20 30 DHEDMO C=CCNC(=O)C[N@@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000605000442 1039603144 /nfs/dbraw/zinc/60/31/44/1039603144.db2.gz RIICTLCZVXUERQ-INIZCTEOSA-N 1 1 306.837 3.559 20 30 DHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1C(C)C ZINC000605026265 1039607788 /nfs/dbraw/zinc/60/77/88/1039607788.db2.gz KTLWZKAWKPAAFO-MOPGFXCFSA-N 1 1 317.473 3.665 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)nc1 ZINC000594014772 1039662257 /nfs/dbraw/zinc/66/22/57/1039662257.db2.gz KDNQMNLXGINVIG-GOSISDBHSA-N 1 1 309.388 3.690 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cn1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000593952245 1039795803 /nfs/dbraw/zinc/79/58/03/1039795803.db2.gz UIEBJOMFAHNNQM-ICSRJNTNSA-N 1 1 321.424 3.553 20 30 DHEDMO N#Cc1ccc(C[N@@H+](CCc2noc3ccccc32)C2CC2)cc1 ZINC000593951492 1039796103 /nfs/dbraw/zinc/79/61/03/1039796103.db2.gz DGKVHMDPIARYIX-UHFFFAOYSA-N 1 1 317.392 3.907 20 30 DHEDMO CN(C)CC[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)C(C)(C)C ZINC000594513291 1039816066 /nfs/dbraw/zinc/81/60/66/1039816066.db2.gz MUSBSOMRNRRTCC-GOSISDBHSA-N 1 1 315.505 3.944 20 30 DHEDMO C[N@@H+](CCCOc1ccccc1)CCCOc1ccc(C#N)cc1 ZINC000059384322 1039972145 /nfs/dbraw/zinc/97/21/45/1039972145.db2.gz HZDHSGRRVVPTFN-UHFFFAOYSA-N 1 1 324.424 3.728 20 30 DHEDMO Cc1c(Br)cncc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981751 1040001431 /nfs/dbraw/zinc/00/14/31/1040001431.db2.gz ULQBWEUFIMDRDR-UHFFFAOYSA-N 1 1 322.250 3.716 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CC2(CCCCC2)O1 ZINC000594057406 1040033150 /nfs/dbraw/zinc/03/31/50/1040033150.db2.gz CVUDBQHPTLSKSL-CQSZACIVSA-N 1 1 302.393 3.621 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC2(CCCCC2)O1 ZINC000594057406 1040033165 /nfs/dbraw/zinc/03/31/65/1040033165.db2.gz CVUDBQHPTLSKSL-CQSZACIVSA-N 1 1 302.393 3.621 20 30 DHEDMO COc1ccc(OC)c([C@@H](C)[NH2+]CC2(C#N)CCCCC2)c1 ZINC000595099118 1040062494 /nfs/dbraw/zinc/06/24/94/1040062494.db2.gz REDILDQXIBFIEN-CQSZACIVSA-N 1 1 302.418 3.828 20 30 DHEDMO C[C@@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(C#N)c(F)c1 ZINC000595078757 1040072923 /nfs/dbraw/zinc/07/29/23/1040072923.db2.gz AQWQOVBNZBQCSP-RHSMWYFYSA-N 1 1 315.436 3.755 20 30 DHEDMO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1)c1ccc(C#N)c(F)c1 ZINC000595078757 1040072931 /nfs/dbraw/zinc/07/29/31/1040072931.db2.gz AQWQOVBNZBQCSP-RHSMWYFYSA-N 1 1 315.436 3.755 20 30 DHEDMO COc1ccc2c(c1)[C@@H]([NH2+]CC1(C#N)CCCCC1)CCCO2 ZINC000595090166 1040075817 /nfs/dbraw/zinc/07/58/17/1040075817.db2.gz DPSPINVJZYHVNA-KRWDZBQOSA-N 1 1 314.429 3.973 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)CCc2ccc(C#N)cc2)cc1 ZINC000595296268 1040090641 /nfs/dbraw/zinc/09/06/41/1040090641.db2.gz YTVNVINSBVBNQH-UHFFFAOYSA-N 1 1 308.425 3.674 20 30 DHEDMO CC[N@H+](Cc1cc(OC)ns1)[C@H](C)c1ccc(C#N)cc1 ZINC000595295182 1040090705 /nfs/dbraw/zinc/09/07/05/1040090705.db2.gz HPOZKSHZRAUYLO-GFCCVEGCSA-N 1 1 301.415 3.606 20 30 DHEDMO CC[N@@H+](Cc1cc(OC)ns1)[C@H](C)c1ccc(C#N)cc1 ZINC000595295182 1040090725 /nfs/dbraw/zinc/09/07/25/1040090725.db2.gz HPOZKSHZRAUYLO-GFCCVEGCSA-N 1 1 301.415 3.606 20 30 DHEDMO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)sn1 ZINC000595296828 1040093322 /nfs/dbraw/zinc/09/33/22/1040093322.db2.gz LPNTVKQUVRFRPX-UHFFFAOYSA-N 1 1 315.442 3.682 20 30 DHEDMO CC[N@@H+](CCc1ccc(C#N)cc1)Cc1ccc(OC)c(OC)c1 ZINC000595287432 1040095912 /nfs/dbraw/zinc/09/59/12/1040095912.db2.gz IGEZVAUKBHOQSK-UHFFFAOYSA-N 1 1 324.424 3.640 20 30 DHEDMO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)[C@H](c2ccccc2)CO1 ZINC000595332491 1040098600 /nfs/dbraw/zinc/09/86/00/1040098600.db2.gz GEQGQUXSAVFQEN-UZLBHIALSA-N 1 1 306.409 3.563 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595326025 1040109335 /nfs/dbraw/zinc/10/93/35/1040109335.db2.gz LRLBEBANDZTFJB-MRXNPFEDSA-N 1 1 308.425 3.672 20 30 DHEDMO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000575064419 1040124654 /nfs/dbraw/zinc/12/46/54/1040124654.db2.gz BVSAOSXWUHQCKJ-HNNXBMFYSA-N 1 1 320.502 3.549 20 30 DHEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CCc1ccc(C#N)cc1)CCC2 ZINC000595375523 1040126595 /nfs/dbraw/zinc/12/65/95/1040126595.db2.gz RNKZTDSGWRYZKN-QGZVFWFLSA-N 1 1 311.454 3.875 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000595383399 1040127224 /nfs/dbraw/zinc/12/72/24/1040127224.db2.gz MPYSPRCGPZGQTR-FQEVSTJZSA-N 1 1 305.425 3.677 20 30 DHEDMO COc1cccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1Cl ZINC000595415511 1040133922 /nfs/dbraw/zinc/13/39/22/1040133922.db2.gz CPJHWTQIBGYNTF-UHFFFAOYSA-N 1 1 312.800 3.999 20 30 DHEDMO C[C@H]1CN([C@H](C#N)c2ccc(Cl)cc2)CC[N@H+](C2CCC2)C1 ZINC000595502995 1040156260 /nfs/dbraw/zinc/15/62/60/1040156260.db2.gz YHCKSQSAAHFRNY-RDTXWAMCSA-N 1 1 317.864 3.711 20 30 DHEDMO C[C@@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CCCSCC#N ZINC000595514162 1040157937 /nfs/dbraw/zinc/15/79/37/1040157937.db2.gz BARLZMATTGOVSZ-NSHDSACASA-N 1 1 322.865 3.856 20 30 DHEDMO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCCSCC#N ZINC000595514162 1040157949 /nfs/dbraw/zinc/15/79/49/1040157949.db2.gz BARLZMATTGOVSZ-NSHDSACASA-N 1 1 322.865 3.856 20 30 DHEDMO C[C@@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCCSCC#N ZINC000595514162 1040157956 /nfs/dbraw/zinc/15/79/56/1040157956.db2.gz BARLZMATTGOVSZ-NSHDSACASA-N 1 1 322.865 3.856 20 30 DHEDMO C=CC[N@H+](CCOc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000063300818 1040185393 /nfs/dbraw/zinc/18/53/93/1040185393.db2.gz DZMUUOULSGZJIG-UHFFFAOYSA-N 1 1 310.372 3.764 20 30 DHEDMO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(C#N)c1 ZINC000063300139 1040187027 /nfs/dbraw/zinc/18/70/27/1040187027.db2.gz KRRDUXIALWOZNZ-UHFFFAOYSA-N 1 1 307.353 3.655 20 30 DHEDMO C=CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(C#N)c1 ZINC000063300139 1040187031 /nfs/dbraw/zinc/18/70/31/1040187031.db2.gz KRRDUXIALWOZNZ-UHFFFAOYSA-N 1 1 307.353 3.655 20 30 DHEDMO C=CC[N@H+](CCOc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297823 1040188678 /nfs/dbraw/zinc/18/86/78/1040188678.db2.gz DQNKOJGMMHRKLG-UHFFFAOYSA-N 1 1 312.369 3.662 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CCc2ccccc21 ZINC000593089876 1040192349 /nfs/dbraw/zinc/19/23/49/1040192349.db2.gz FXRYSWUAKCDHCU-CQSZACIVSA-N 1 1 321.380 3.628 20 30 DHEDMO Cc1c(Br)cccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595621485 1040195586 /nfs/dbraw/zinc/19/55/86/1040195586.db2.gz VOHQUKHXIFVPDZ-ZDUSSCGKSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1c(Br)cccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595621485 1040195589 /nfs/dbraw/zinc/19/55/89/1040195589.db2.gz VOHQUKHXIFVPDZ-ZDUSSCGKSA-N 1 1 307.235 3.883 20 30 DHEDMO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595621884 1040196013 /nfs/dbraw/zinc/19/60/13/1040196013.db2.gz ZDKOJYNHNAVJIR-HNNXBMFYSA-N 1 1 314.429 3.768 20 30 DHEDMO COc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c(Br)c1 ZINC000595623373 1040196038 /nfs/dbraw/zinc/19/60/38/1040196038.db2.gz OGZYCJCBKPQQHM-GFCCVEGCSA-N 1 1 323.234 3.583 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(Br)c1 ZINC000595623373 1040196046 /nfs/dbraw/zinc/19/60/46/1040196046.db2.gz OGZYCJCBKPQQHM-GFCCVEGCSA-N 1 1 323.234 3.583 20 30 DHEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632042 1040198802 /nfs/dbraw/zinc/19/88/02/1040198802.db2.gz LHZVIOQQZIGEEA-ZDUSSCGKSA-N 1 1 315.417 3.642 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000595609811 1040204284 /nfs/dbraw/zinc/20/42/84/1040204284.db2.gz PKVYAIQAZCSXLD-GFCCVEGCSA-N 1 1 313.228 3.998 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000595609811 1040204295 /nfs/dbraw/zinc/20/42/95/1040204295.db2.gz PKVYAIQAZCSXLD-GFCCVEGCSA-N 1 1 313.228 3.998 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000595612248 1040208547 /nfs/dbraw/zinc/20/85/47/1040208547.db2.gz UKXWLQTXGLGEPI-CYBMUJFWSA-N 1 1 320.820 3.627 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000595612248 1040208554 /nfs/dbraw/zinc/20/85/54/1040208554.db2.gz UKXWLQTXGLGEPI-CYBMUJFWSA-N 1 1 320.820 3.627 20 30 DHEDMO N#CC1(CCC[N@@H+]2CC[C@@H]2c2ccc(F)cc2)CCOCC1 ZINC000595700600 1040224105 /nfs/dbraw/zinc/22/41/05/1040224105.db2.gz CFHPPAQSWIXLMZ-QGZVFWFLSA-N 1 1 302.393 3.673 20 30 DHEDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(-c3ccccc3C#N)cc1)C2 ZINC000595761537 1040234200 /nfs/dbraw/zinc/23/42/00/1040234200.db2.gz XRNHVRANWQHSKT-PZJWPPBQSA-N 1 1 318.420 3.694 20 30 DHEDMO C[C@]1(C#N)CC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000595833695 1040271119 /nfs/dbraw/zinc/27/11/19/1040271119.db2.gz IOWWMWMDMYYAHH-HXUWFJFHSA-N 1 1 316.408 3.737 20 30 DHEDMO C[C@]1(C#N)CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000595833695 1040271138 /nfs/dbraw/zinc/27/11/38/1040271138.db2.gz IOWWMWMDMYYAHH-HXUWFJFHSA-N 1 1 316.408 3.737 20 30 DHEDMO CC1(C)C[C@@]1([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000595911553 1040272041 /nfs/dbraw/zinc/27/20/41/1040272041.db2.gz YLGAXHRAGFXIIM-LJQANCHMSA-N 1 1 321.380 3.881 20 30 DHEDMO CC(C)[N@H+]1CCCC[C@@H]1CN(Cc1ccc(C#N)cc1)C1CC1 ZINC001168423492 1040274435 /nfs/dbraw/zinc/27/44/35/1040274435.db2.gz LAWCQDCCCMVOCG-HXUWFJFHSA-N 1 1 311.473 3.786 20 30 DHEDMO Cc1ccc2c(c1Br)C[N@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000595873927 1040277423 /nfs/dbraw/zinc/27/74/23/1040277423.db2.gz NQHZEXHXNNHGAJ-YPMHNXCESA-N 1 1 305.219 3.765 20 30 DHEDMO Cc1ccc2c(c1Br)C[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000595873927 1040277435 /nfs/dbraw/zinc/27/74/35/1040277435.db2.gz NQHZEXHXNNHGAJ-YPMHNXCESA-N 1 1 305.219 3.765 20 30 DHEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000595868398 1040278340 /nfs/dbraw/zinc/27/83/40/1040278340.db2.gz VXLJCZHBLGECOG-XJKSGUPXSA-N 1 1 310.401 3.761 20 30 DHEDMO NC(=[NH+]OCc1coc(-c2cccs2)n1)C1CCCCC1 ZINC000063458841 1040303068 /nfs/dbraw/zinc/30/30/68/1040303068.db2.gz FYVDQDCDNNFYFQ-UHFFFAOYSA-N 1 1 305.403 3.772 20 30 DHEDMO CC(C)[N@@H+](CCOc1cccc(F)c1)Cc1ccc(C#N)cc1 ZINC000063750684 1040487472 /nfs/dbraw/zinc/48/74/72/1040487472.db2.gz VDHLLMOEPICBTQ-UHFFFAOYSA-N 1 1 312.388 3.987 20 30 DHEDMO CC1(C)C[N@@H+](CCCOc2cccc(C#N)c2)[C@H]1c1cccnc1 ZINC000596592437 1040504964 /nfs/dbraw/zinc/50/49/64/1040504964.db2.gz NEYFDBGSBWJNHO-IBGZPJMESA-N 1 1 321.424 3.805 20 30 DHEDMO CC(C)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CCCCC1 ZINC000491217238 1040535537 /nfs/dbraw/zinc/53/55/37/1040535537.db2.gz GFXQHKDGYQHRSH-UHFFFAOYSA-N 1 1 319.493 3.714 20 30 DHEDMO CC(C)C[N@H+](Cc1cn(C2CCC2)nn1)Cc1ccc(C#N)cc1 ZINC000596983897 1040616978 /nfs/dbraw/zinc/61/69/78/1040616978.db2.gz IZDGTVFSBJMRCV-UHFFFAOYSA-N 1 1 323.444 3.533 20 30 DHEDMO CC(C)C[N@@H+](Cc1cn(C2CCC2)nn1)Cc1ccc(C#N)cc1 ZINC000596983897 1040616985 /nfs/dbraw/zinc/61/69/85/1040616985.db2.gz IZDGTVFSBJMRCV-UHFFFAOYSA-N 1 1 323.444 3.533 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+](CCCO)Cc3ccccc3)cc2)CC1 ZINC000596995594 1040628355 /nfs/dbraw/zinc/62/83/55/1040628355.db2.gz KUZSUYQJVLZBOT-UHFFFAOYSA-N 1 1 320.436 3.626 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1n1ccnc1 ZINC000597028197 1040630143 /nfs/dbraw/zinc/63/01/43/1040630143.db2.gz VBJUMLRNZPTOTA-LPHOPBHVSA-N 1 1 320.440 3.521 20 30 DHEDMO Cc1cnc(CC[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)s1 ZINC000597023036 1040630917 /nfs/dbraw/zinc/63/09/17/1040630917.db2.gz YOSBCOYWLOZFEQ-UHFFFAOYSA-N 1 1 311.454 3.681 20 30 DHEDMO C#CCOc1ccc(C[NH2+][C@H](C)c2c(F)cccc2OC)cc1 ZINC000174566398 1040660852 /nfs/dbraw/zinc/66/08/52/1040660852.db2.gz ORJIOUUWQXCQHI-CQSZACIVSA-N 1 1 313.372 3.697 20 30 DHEDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597145942 1040664383 /nfs/dbraw/zinc/66/43/83/1040664383.db2.gz LKFSKISGFBNPMY-UHFFFAOYSA-N 1 1 322.456 3.633 20 30 DHEDMO N#CCC1C[NH+](Cc2cccc(OCc3ccccc3F)c2)C1 ZINC000597193573 1040672042 /nfs/dbraw/zinc/67/20/42/1040672042.db2.gz GPWGXQWZWFYOKC-UHFFFAOYSA-N 1 1 310.372 3.750 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597175463 1040675669 /nfs/dbraw/zinc/67/56/69/1040675669.db2.gz ZPUVBDOOEHODSG-QGZVFWFLSA-N 1 1 308.429 3.615 20 30 DHEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CC1(C)C ZINC000597253153 1040713131 /nfs/dbraw/zinc/71/31/31/1040713131.db2.gz KKQRWFSPIUYRLD-GOSISDBHSA-N 1 1 322.456 3.942 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000534128918 1040725280 /nfs/dbraw/zinc/72/52/80/1040725280.db2.gz UOHMBFWSYXCHHN-NRFANRHFSA-N 1 1 318.420 3.836 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]2CCCC[C@@H]12 ZINC000534337158 1040821189 /nfs/dbraw/zinc/82/11/89/1040821189.db2.gz UUMSWTIIWBZAQX-FHLIZLRMSA-N 1 1 308.429 3.607 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(F)c1C#N ZINC000602016842 1040850389 /nfs/dbraw/zinc/85/03/89/1040850389.db2.gz AXONCPYBVSPMRJ-LJQANCHMSA-N 1 1 305.356 3.736 20 30 DHEDMO CCCOCc1ccccc1C[NH2+]Cc1cccc(F)c1C#N ZINC000602006304 1040856395 /nfs/dbraw/zinc/85/63/95/1040856395.db2.gz STKLRXNATHBPSL-UHFFFAOYSA-N 1 1 312.388 3.914 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+]1CCc2sc(Br)cc2C1 ZINC000602485819 1041055439 /nfs/dbraw/zinc/05/54/39/1041055439.db2.gz SUNHTPYDKIXATK-SNVBAGLBSA-N 1 1 313.264 3.809 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCc2sc(Br)cc2C1 ZINC000602485819 1041055456 /nfs/dbraw/zinc/05/54/56/1041055456.db2.gz SUNHTPYDKIXATK-SNVBAGLBSA-N 1 1 313.264 3.809 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCCN(CCCc2ccccc2)CC1 ZINC000602427933 1041026707 /nfs/dbraw/zinc/02/67/07/1041026707.db2.gz LPIQLOXSZMIFOQ-LJQANCHMSA-N 1 1 313.489 3.567 20 30 DHEDMO C[C@H](CCC#N)CN1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000602427933 1041026718 /nfs/dbraw/zinc/02/67/18/1041026718.db2.gz LPIQLOXSZMIFOQ-LJQANCHMSA-N 1 1 313.489 3.567 20 30 DHEDMO C[C@H](CCC#N)CN1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000602427933 1041026729 /nfs/dbraw/zinc/02/67/29/1041026729.db2.gz LPIQLOXSZMIFOQ-LJQANCHMSA-N 1 1 313.489 3.567 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000602451358 1041028612 /nfs/dbraw/zinc/02/86/12/1041028612.db2.gz GDMSGZLVURFOAT-INIZCTEOSA-N 1 1 310.445 3.881 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000602451359 1041030404 /nfs/dbraw/zinc/03/04/04/1041030404.db2.gz GDMSGZLVURFOAT-MRXNPFEDSA-N 1 1 310.445 3.881 20 30 DHEDMO CCOc1ccc(C[N@@H+](Cc2cccc(C#N)n2)C(C)C)cc1 ZINC000602443306 1041035674 /nfs/dbraw/zinc/03/56/74/1041035674.db2.gz CAXKERUDQFYRLJ-UHFFFAOYSA-N 1 1 309.413 3.763 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)n1 ZINC000602444340 1041036067 /nfs/dbraw/zinc/03/60/67/1041036067.db2.gz GZOOPFQARWEOIN-MRXNPFEDSA-N 1 1 316.408 3.814 20 30 DHEDMO CCOc1cccc2cc([C@H](C)[NH2+]Cc3cccc(C#N)n3)oc21 ZINC000602503300 1041072176 /nfs/dbraw/zinc/07/21/76/1041072176.db2.gz PUZHPTJFTPMYJP-ZDUSSCGKSA-N 1 1 321.380 3.949 20 30 DHEDMO CCOC(=O)C[N@@H+](C[C@H](C)CCC#N)[C@H](C)c1ccccc1 ZINC000602584503 1041113010 /nfs/dbraw/zinc/11/30/10/1041113010.db2.gz CXORBHSCFANLLT-HZPDHXFCSA-N 1 1 302.418 3.553 20 30 DHEDMO C[C@@H](C#N)CNC[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000602607261 1041124994 /nfs/dbraw/zinc/12/49/94/1041124994.db2.gz IBLNLQNFNCAYHN-PXNSSMCTSA-N 1 1 313.489 3.674 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000602634287 1041136796 /nfs/dbraw/zinc/13/67/96/1041136796.db2.gz MMSJTJGBYMILRG-OAHLLOKOSA-N 1 1 304.409 3.747 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000602637640 1041140197 /nfs/dbraw/zinc/14/01/97/1041140197.db2.gz NNGNWRVDJIXOJG-DLBZAZTESA-N 1 1 322.456 3.685 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000602690344 1041151798 /nfs/dbraw/zinc/15/17/98/1041151798.db2.gz JMFWKSIAPNPLJJ-ZIAGYGMSSA-N 1 1 318.383 3.607 20 30 DHEDMO N#CC1(CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000602700426 1041164177 /nfs/dbraw/zinc/16/41/77/1041164177.db2.gz WFUMPDJBJVCEJD-HKUYNNGSSA-N 1 1 309.457 3.638 20 30 DHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC1(CC#N)CC1 ZINC000602770563 1041218429 /nfs/dbraw/zinc/21/84/29/1041218429.db2.gz UCOSSGIRWLDKKU-UHFFFAOYSA-N 1 1 308.429 3.635 20 30 DHEDMO CN(C(=O)C[N@H+]1CCC[C@H]1CC(C)(C)C)C1(C#N)CCCCC1 ZINC000060890026 1041227716 /nfs/dbraw/zinc/22/77/16/1041227716.db2.gz DHYAOZCHNGTXJT-INIZCTEOSA-N 1 1 319.493 3.572 20 30 DHEDMO N#CCC1(C[N@@H+]2CCCN(c3ccccc3Cl)CC2)CC1 ZINC000602825454 1041243809 /nfs/dbraw/zinc/24/38/09/1041243809.db2.gz BBYADWVSRLHFDI-UHFFFAOYSA-N 1 1 303.837 3.546 20 30 DHEDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)CC1(CC#N)CC1 ZINC000602833615 1041247602 /nfs/dbraw/zinc/24/76/02/1041247602.db2.gz YBSGDSKKEWBWJG-UHFFFAOYSA-N 1 1 312.335 3.753 20 30 DHEDMO C[N@H+](CC1(CC#N)CC1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000602890380 1041290573 /nfs/dbraw/zinc/29/05/73/1041290573.db2.gz XSSOWTQLWKBLHF-ZDUSSCGKSA-N 1 1 313.228 3.652 20 30 DHEDMO C[N@@H+](CC1(CC#N)CC1)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000602890380 1041290614 /nfs/dbraw/zinc/29/06/14/1041290614.db2.gz XSSOWTQLWKBLHF-ZDUSSCGKSA-N 1 1 313.228 3.652 20 30 DHEDMO N#Cc1ccc(C2CC[NH+](Cc3csc(C4CC4)n3)CC2)nc1 ZINC000602908871 1041296398 /nfs/dbraw/zinc/29/63/98/1041296398.db2.gz VSAQCXIIKVDARV-UHFFFAOYSA-N 1 1 324.453 3.667 20 30 DHEDMO Cc1cc(Br)c2c(c1)CC[N@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000602928471 1041306642 /nfs/dbraw/zinc/30/66/42/1041306642.db2.gz NYQJHFIIMLABOL-GXTWGEPZSA-N 1 1 319.246 3.808 20 30 DHEDMO Cc1cc(Br)c2c(c1)CC[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000602928471 1041306658 /nfs/dbraw/zinc/30/66/58/1041306658.db2.gz NYQJHFIIMLABOL-GXTWGEPZSA-N 1 1 319.246 3.808 20 30 DHEDMO Cc1cc(Br)c2c(c1)CC[N@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000602928472 1041307874 /nfs/dbraw/zinc/30/78/74/1041307874.db2.gz NYQJHFIIMLABOL-JSGCOSHPSA-N 1 1 319.246 3.808 20 30 DHEDMO Cc1cc(Br)c2c(c1)CC[N@@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000602928472 1041307888 /nfs/dbraw/zinc/30/78/88/1041307888.db2.gz NYQJHFIIMLABOL-JSGCOSHPSA-N 1 1 319.246 3.808 20 30 DHEDMO Cc1cc(C)c(C[N@H+]2CCc3c(CC#N)cccc3C2)c(C)n1 ZINC000602919998 1041319023 /nfs/dbraw/zinc/31/90/23/1041319023.db2.gz ZEXWDPHSZQKQFA-UHFFFAOYSA-N 1 1 305.425 3.631 20 30 DHEDMO C[N@H+](Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602977601 1041330539 /nfs/dbraw/zinc/33/05/39/1041330539.db2.gz DFOBRTGMIVMHFF-YLJYHZDGSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602977601 1041330549 /nfs/dbraw/zinc/33/05/49/1041330549.db2.gz DFOBRTGMIVMHFF-YLJYHZDGSA-N 1 1 321.424 3.785 20 30 DHEDMO Cc1cccc(C)c1NC(=O)CCC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602975499 1041335982 /nfs/dbraw/zinc/33/59/82/1041335982.db2.gz BYHKWSPRVKIWKS-DLBZAZTESA-N 1 1 313.445 3.646 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000598587122 1041346883 /nfs/dbraw/zinc/34/68/83/1041346883.db2.gz NCNJTPHBPZIINH-JKSUJKDBSA-N 1 1 306.837 3.778 20 30 DHEDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598585199 1041348041 /nfs/dbraw/zinc/34/80/41/1041348041.db2.gz YBCPFMZLBGJZMP-UKRRQHHQSA-N 1 1 300.402 3.726 20 30 DHEDMO C[N@@H+](Cc1c(Cl)cccc1Cl)C[C@H](O)CC(C)(C)C#N ZINC000598587029 1041348214 /nfs/dbraw/zinc/34/82/14/1041348214.db2.gz LWMTVEDXYROQFP-LLVKDONJSA-N 1 1 315.244 3.726 20 30 DHEDMO C[N@H+](Cc1c(Cl)cccc1Cl)C[C@H](O)CC(C)(C)C#N ZINC000598587029 1041348221 /nfs/dbraw/zinc/34/82/21/1041348221.db2.gz LWMTVEDXYROQFP-LLVKDONJSA-N 1 1 315.244 3.726 20 30 DHEDMO CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](C)c1ccccc1OC ZINC000598587076 1041349121 /nfs/dbraw/zinc/34/91/21/1041349121.db2.gz NJHRPODXGKHJCL-HOTGVXAUSA-N 1 1 318.461 3.769 20 30 DHEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598594256 1041354401 /nfs/dbraw/zinc/35/44/01/1041354401.db2.gz FEYYJFPDCKIHOC-XYPHTWIQSA-N 1 1 304.409 3.509 20 30 DHEDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598595818 1041355019 /nfs/dbraw/zinc/35/50/19/1041355019.db2.gz WIXOZRWMBLMUQB-OLZOCXBDSA-N 1 1 317.458 3.590 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000598613086 1041359597 /nfs/dbraw/zinc/35/95/97/1041359597.db2.gz DIFDADSBEGREKG-RDGPPVDQSA-N 1 1 312.457 3.698 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000598621042 1041361658 /nfs/dbraw/zinc/36/16/58/1041361658.db2.gz QZRZPCCJMNIGRT-QZTJIDSGSA-N 1 1 312.457 3.904 20 30 DHEDMO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598624779 1041365207 /nfs/dbraw/zinc/36/52/07/1041365207.db2.gz HCLPWRMXERSQOR-IRXDYDNUSA-N 1 1 300.446 3.741 20 30 DHEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000091336830 334955627 /nfs/dbraw/zinc/95/56/27/334955627.db2.gz KXSPAKKVERBKDF-OAHLLOKOSA-N 1 1 321.424 3.989 20 30 DHEDMO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@@H](C)c1cccc(C#N)c1 ZINC000442674694 335008560 /nfs/dbraw/zinc/00/85/60/335008560.db2.gz XAVCPMSUHMCZDR-YJBOKZPZSA-N 1 1 322.408 3.781 20 30 DHEDMO CC[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1nccn1C ZINC000183314343 335022181 /nfs/dbraw/zinc/02/21/81/335022181.db2.gz BJMMTGKUMYDQMP-OAHLLOKOSA-N 1 1 321.346 3.531 20 30 DHEDMO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1nc(CCCC)no1 ZINC000285262925 335022670 /nfs/dbraw/zinc/02/26/70/335022670.db2.gz XMZIRVCAUIQYHR-RDJZCZTQSA-N 1 1 311.429 3.697 20 30 DHEDMO C#CCCOc1ccc(C[NH2+][C@@H](C)c2c(F)cncc2F)cc1 ZINC000285588744 335023648 /nfs/dbraw/zinc/02/36/48/335023648.db2.gz VWBDKNIISBXRIN-ZDUSSCGKSA-N 1 1 316.351 3.613 20 30 DHEDMO C=C(C)CN1CCC([NH2+][C@@H](CC)c2ccc(F)cc2O)CC1 ZINC000286215194 335030419 /nfs/dbraw/zinc/03/04/19/335030419.db2.gz SEYKLKKXODLGPQ-KRWDZBQOSA-N 1 1 306.425 3.613 20 30 DHEDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000563830257 335034180 /nfs/dbraw/zinc/03/41/80/335034180.db2.gz AXFSXHXZOCUQLE-TZMCWYRMSA-N 1 1 319.474 3.705 20 30 DHEDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000563830257 335034181 /nfs/dbraw/zinc/03/41/81/335034181.db2.gz AXFSXHXZOCUQLE-TZMCWYRMSA-N 1 1 319.474 3.705 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccccn2)cc1OC ZINC000183675356 335037356 /nfs/dbraw/zinc/03/73/56/335037356.db2.gz QGZFZDVYZQNUAA-OAHLLOKOSA-N 1 1 312.413 3.848 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)[C@H](C)c2ccccn2)cc(OC)c1O ZINC000183679876 335037460 /nfs/dbraw/zinc/03/74/60/335037460.db2.gz QLKVOHRATKEIQM-CQSZACIVSA-N 1 1 312.413 3.717 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)CCS1 ZINC000190690538 335047203 /nfs/dbraw/zinc/04/72/03/335047203.db2.gz JNPNXNOQGVNGMT-HNNXBMFYSA-N 1 1 304.459 3.697 20 30 DHEDMO C=C(C)CN1CCC([NH2+][C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194032080 335059065 /nfs/dbraw/zinc/05/90/65/335059065.db2.gz JJOGNXVMRMNOKY-SFHVURJKSA-N 1 1 322.880 3.658 20 30 DHEDMO CC(=O)Nc1ccn([C@@H]2CC[N@H+](C[C@@H]3CCCC[C@@H]3C)C2)n1 ZINC000328628994 257263661 /nfs/dbraw/zinc/26/36/61/257263661.db2.gz OIMFXVRWMRDMOP-CWRNSKLLSA-N 1 1 304.438 3.564 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc(OC)c1O ZINC000289678639 335062447 /nfs/dbraw/zinc/06/24/47/335062447.db2.gz DYFWFCIKSZAROG-GOSISDBHSA-N 1 1 324.424 3.861 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3cc(Cl)cc4c3OCC4)CC2)c1 ZINC000272819322 130066680 /nfs/dbraw/zinc/06/66/80/130066680.db2.gz IMGGKUOYWMCKSI-UHFFFAOYSA-N 1 1 324.811 3.925 20 30 DHEDMO Cc1[nH+]ccn1CCCNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000274215492 130218282 /nfs/dbraw/zinc/21/82/82/130218282.db2.gz MDUHHHHHURWPKG-UHFFFAOYSA-N 1 1 308.307 3.584 20 30 DHEDMO N#Cc1ccc(C(F)(F)F)c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000274687409 130254854 /nfs/dbraw/zinc/25/48/54/130254854.db2.gz KPFHUOAWJRUYPA-LBPRGKRZSA-N 1 1 320.318 3.684 20 30 DHEDMO Cc1cc(C2CCN(Cc3ccc(Cl)cc3C#N)CC2)[nH]n1 ZINC000274837073 130267474 /nfs/dbraw/zinc/26/74/74/130267474.db2.gz NQEOONYJHWYCFJ-UHFFFAOYSA-N 1 1 314.820 3.623 20 30 DHEDMO Cc1nc2sccn2c1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000275642655 130353410 /nfs/dbraw/zinc/35/34/10/130353410.db2.gz OMICZKNYIFHFML-CYBMUJFWSA-N 1 1 310.426 3.769 20 30 DHEDMO N#Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccn1 ZINC000286644614 131244702 /nfs/dbraw/zinc/24/47/02/131244702.db2.gz DJESKAIFOICCSK-CTXDPNEZSA-N 1 1 318.424 3.561 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1cnc([C@H](C)O)s1)c1ccc(F)c(F)c1 ZINC000289764733 335065168 /nfs/dbraw/zinc/06/51/68/335065168.db2.gz QMRQBODTKJCEEZ-ZUZCIYMTSA-N 1 1 324.396 3.882 20 30 DHEDMO C=CCCCCCCCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000290795302 335075726 /nfs/dbraw/zinc/07/57/26/335075726.db2.gz DWSDFMDJXIMCRG-QGZVFWFLSA-N 1 1 317.477 3.787 20 30 DHEDMO C=CCC[C@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)c1ccccc1 ZINC000291433170 335081993 /nfs/dbraw/zinc/08/19/93/335081993.db2.gz ZXQHDYSRUABZEC-MJGOQNOKSA-N 1 1 323.440 3.578 20 30 DHEDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc(C(F)(F)F)c(C#N)n1 ZINC000515474689 429377886 /nfs/dbraw/zinc/37/78/86/429377886.db2.gz QZWATZHVLKYRHP-NSHDSACASA-N 1 1 314.355 3.504 20 30 DHEDMO C=CCOc1ccccc1C[NH2+][C@H](c1ccccc1F)[C@H](C)O ZINC000564459290 331977798 /nfs/dbraw/zinc/97/77/98/331977798.db2.gz TXJLOBWOYLORDH-LIRRHRJNSA-N 1 1 315.388 3.602 20 30 DHEDMO C=CCOc1ccccc1C[NH2+][C@H](c1ccccc1F)[C@@H](C)O ZINC000564459289 331977859 /nfs/dbraw/zinc/97/78/59/331977859.db2.gz TXJLOBWOYLORDH-KUHUBIRLSA-N 1 1 315.388 3.602 20 30 DHEDMO COc1ccc(C[N@H+](C)[C@H](C)Cc2ccccc2OC)cc1C#N ZINC000131930082 332051373 /nfs/dbraw/zinc/05/13/73/332051373.db2.gz ZBXSEDKTILGVCM-OAHLLOKOSA-N 1 1 324.424 3.638 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000410138459 332093009 /nfs/dbraw/zinc/09/30/09/332093009.db2.gz RKOZYXSWTWZADP-FUHWJXTLSA-N 1 1 318.436 3.509 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+](CCC)[C@H](CC)c2ccccc2)C1=O ZINC000410337357 332113969 /nfs/dbraw/zinc/11/39/69/332113969.db2.gz AMVVVWTWVPTIDE-MSOLQXFVSA-N 1 1 300.446 3.637 20 30 DHEDMO C[N@@H+](CCCCc1ccccc1)Cc1cnc2ccc(C#N)cn12 ZINC000091955732 332115997 /nfs/dbraw/zinc/11/59/97/332115997.db2.gz KGNINEWKKBJKGV-UHFFFAOYSA-N 1 1 318.424 3.661 20 30 DHEDMO CC(C)(CCC#N)C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000092063644 332118749 /nfs/dbraw/zinc/11/87/49/332118749.db2.gz BKDWDUWDPZNXDR-UHFFFAOYSA-N 1 1 308.853 3.854 20 30 DHEDMO C[N@H+](Cc1ccccc1C#N)Cc1ccccc1N1CCCC1 ZINC000016384965 332132250 /nfs/dbraw/zinc/13/22/50/332132250.db2.gz FXSUKPFPYAINHQ-UHFFFAOYSA-N 1 1 305.425 3.790 20 30 DHEDMO C[N@@H+](Cc1ccccc1C#N)Cc1ccccc1N1CCCC1 ZINC000016384965 332132251 /nfs/dbraw/zinc/13/22/51/332132251.db2.gz FXSUKPFPYAINHQ-UHFFFAOYSA-N 1 1 305.425 3.790 20 30 DHEDMO Cc1nc(-c2cc3c(s2)CC[N@H+](CCCC#N)C3)cs1 ZINC000093259494 332136601 /nfs/dbraw/zinc/13/66/01/332136601.db2.gz GZFYGUVEZZMDOF-UHFFFAOYSA-N 1 1 303.456 3.842 20 30 DHEDMO Cc1nc(-c2cc3c(s2)CC[N@@H+](CCCC#N)C3)cs1 ZINC000093259494 332136602 /nfs/dbraw/zinc/13/66/02/332136602.db2.gz GZFYGUVEZZMDOF-UHFFFAOYSA-N 1 1 303.456 3.842 20 30 DHEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000093315919 332137411 /nfs/dbraw/zinc/13/74/11/332137411.db2.gz NGEGQRSHRKVLSL-INIZCTEOSA-N 1 1 323.440 3.935 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000093684296 332141550 /nfs/dbraw/zinc/14/15/50/332141550.db2.gz HCGGNLYGKQTIPR-SFHVURJKSA-N 1 1 300.446 3.855 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000093684297 332141634 /nfs/dbraw/zinc/14/16/34/332141634.db2.gz HCGGNLYGKQTIPR-GOSISDBHSA-N 1 1 300.446 3.855 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000150901581 332197999 /nfs/dbraw/zinc/19/79/99/332197999.db2.gz CTQIHMQRLQVUMU-CQSZACIVSA-N 1 1 300.406 3.871 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000323105816 332208427 /nfs/dbraw/zinc/20/84/27/332208427.db2.gz DCRPVSLRXKKMEI-AWEZNQCLSA-N 1 1 312.388 3.769 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCC1)c1ccc(F)c(F)c1 ZINC000187756307 332271534 /nfs/dbraw/zinc/27/15/34/332271534.db2.gz UFPMJYZEVQJHDB-YVEFUNNKSA-N 1 1 322.399 3.619 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000573840356 332282345 /nfs/dbraw/zinc/28/23/45/332282345.db2.gz UZXKQJBZNIGSPP-WMZOPIPTSA-N 1 1 303.833 3.583 20 30 DHEDMO C=CC(C)(C)C[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449486405 332288454 /nfs/dbraw/zinc/28/84/54/332288454.db2.gz SABFKTUMZUEKQW-KRWDZBQOSA-N 1 1 300.490 3.884 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3ccc(C#N)cc3Cl)CC2)c1 ZINC000560166934 332316234 /nfs/dbraw/zinc/31/62/34/332316234.db2.gz JHFAPAKPQCHVJK-UHFFFAOYSA-N 1 1 307.784 3.862 20 30 DHEDMO C=CCCC(=O)CS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000574277729 332339859 /nfs/dbraw/zinc/33/98/59/332339859.db2.gz ZVAUDFVZSXROLH-SFHVURJKSA-N 1 1 303.471 3.920 20 30 DHEDMO CCC[N@@H+](Cc1cc(C#N)cs1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000560554266 332358994 /nfs/dbraw/zinc/35/89/94/332358994.db2.gz WXAAUCOQQQNFOQ-OAGGEKHMSA-N 1 1 304.459 3.645 20 30 DHEDMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)CC(C)(C)C#N ZINC000560569794 332360274 /nfs/dbraw/zinc/36/02/74/332360274.db2.gz RRRWULAXJSLWTM-UHFFFAOYSA-N 1 1 300.324 3.609 20 30 DHEDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)CC(C)(C)C#N ZINC000560569794 332360276 /nfs/dbraw/zinc/36/02/76/332360276.db2.gz RRRWULAXJSLWTM-UHFFFAOYSA-N 1 1 300.324 3.609 20 30 DHEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(OCC2CC2)c(F)c1 ZINC000119451420 332371992 /nfs/dbraw/zinc/37/19/92/332371992.db2.gz PEXFMWDNNJMXHK-HIFRSBDPSA-N 1 1 315.392 3.709 20 30 DHEDMO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)c1 ZINC000120140109 332383680 /nfs/dbraw/zinc/38/36/80/332383680.db2.gz UZQDFOGBFVXXSD-GFCCVEGCSA-N 1 1 314.360 3.565 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)CC)c1ccc(F)c(F)c1 ZINC000187775937 332432619 /nfs/dbraw/zinc/43/26/19/332432619.db2.gz VLFREURGMXASMS-BLLLJJGKSA-N 1 1 324.415 3.865 20 30 DHEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H](COC)c2ccc(C)o2)cc1 ZINC000156419691 332469706 /nfs/dbraw/zinc/46/97/06/332469706.db2.gz VNWALLMZYJWZHV-YJBOKZPZSA-N 1 1 313.397 3.638 20 30 DHEDMO CC1(C)CCCc2cc(C#N)c(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)nc21 ZINC000428123563 335110994 /nfs/dbraw/zinc/11/09/94/335110994.db2.gz WXOABLVGDNOUBW-IAGOWNOFSA-N 1 1 324.472 3.606 20 30 DHEDMO Cc1[nH+]ccn1CCCCNc1cccc(C(F)F)c1C#N ZINC000569707788 332667106 /nfs/dbraw/zinc/66/71/06/332667106.db2.gz AKPBEVBKIKRWMU-UHFFFAOYSA-N 1 1 304.344 3.893 20 30 DHEDMO CC(=O)Nc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000170644002 333037945 /nfs/dbraw/zinc/03/79/45/333037945.db2.gz ADNPCYPTWUDTSP-UHFFFAOYSA-N 1 1 319.408 3.681 20 30 DHEDMO CCC(CC)CN(CCC#N)Cc1[nH+]cc(C)c(OC)c1C ZINC000362188592 333038790 /nfs/dbraw/zinc/03/87/90/333038790.db2.gz SGWBIPYWVNUROC-UHFFFAOYSA-N 1 1 303.450 3.859 20 30 DHEDMO CC(C)(C#N)CCC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000174832330 333091605 /nfs/dbraw/zinc/09/16/05/333091605.db2.gz NWFNSDGUQBDTQE-SFHVURJKSA-N 1 1 300.446 3.998 20 30 DHEDMO CCCCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C(C)C ZINC000314533623 333139637 /nfs/dbraw/zinc/13/96/37/333139637.db2.gz AMGXDLYBWLXZAO-UHFFFAOYSA-N 1 1 301.434 3.787 20 30 DHEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(-c2cccnc2)cc1 ZINC000181279351 333168604 /nfs/dbraw/zinc/16/86/04/333168604.db2.gz OSSUQTDUFTUJTC-HOTGVXAUSA-N 1 1 304.397 3.843 20 30 DHEDMO C[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(OCC#N)cc1 ZINC000181763532 333172047 /nfs/dbraw/zinc/17/20/47/333172047.db2.gz YEHDRVXLEFXEHA-YJBOKZPZSA-N 1 1 317.477 3.606 20 30 DHEDMO C[C@@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(OCC#N)cc1 ZINC000181763548 333172076 /nfs/dbraw/zinc/17/20/76/333172076.db2.gz YEHDRVXLEFXEHA-QAPCUYQASA-N 1 1 317.477 3.606 20 30 DHEDMO COc1ccccc1[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccn1 ZINC000185873740 333215138 /nfs/dbraw/zinc/21/51/38/333215138.db2.gz ZLQLLGUWLMXTRA-RZQQEMMASA-N 1 1 321.424 3.852 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1CC=C(c2cncc3ccccc32)CC1 ZINC000364277618 333281833 /nfs/dbraw/zinc/28/18/33/333281833.db2.gz CUVDZFGKDJKGNM-GOSISDBHSA-N 1 1 308.425 3.651 20 30 DHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000319489597 333308519 /nfs/dbraw/zinc/30/85/19/333308519.db2.gz HGGHECJULWPPEL-CQSZACIVSA-N 1 1 312.335 3.600 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@H](c2n[nH]cc2NC(C)=O)C1 ZINC000364883326 333332792 /nfs/dbraw/zinc/33/27/92/333332792.db2.gz URTUAHIRCGKTRN-HNNXBMFYSA-N 1 1 306.454 3.518 20 30 DHEDMO C[C@H]([NH2+]Cc1nc2c(s1)C[C@@H](C)CC2)c1ccc(C#N)cc1 ZINC000152092100 333605136 /nfs/dbraw/zinc/60/51/36/333605136.db2.gz HOOAXLUDCXLOSS-STQMWFEESA-N 1 1 311.454 3.990 20 30 DHEDMO C=CCC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000343500953 335169852 /nfs/dbraw/zinc/16/98/52/335169852.db2.gz WYOMOCWWXBIGFQ-UHFFFAOYSA-N 1 1 318.424 3.942 20 30 DHEDMO N#Cc1csc(C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)n1 ZINC000414514981 334003829 /nfs/dbraw/zinc/00/38/29/334003829.db2.gz SOOJJDMZOVMPBY-MRXNPFEDSA-N 1 1 309.438 3.784 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000272023549 334029775 /nfs/dbraw/zinc/02/97/75/334029775.db2.gz NMVINFDNWGMEPU-HOTGVXAUSA-N 1 1 304.434 3.888 20 30 DHEDMO Cc1ccnc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1C#N ZINC000343512815 335173268 /nfs/dbraw/zinc/17/32/68/335173268.db2.gz OLULSAKCGUKDCJ-WBVHZDCISA-N 1 1 306.413 3.509 20 30 DHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC3(CCC3)C2)cc1 ZINC000438534886 334126701 /nfs/dbraw/zinc/12/67/01/334126701.db2.gz LPEFTCMWYCZADK-UHFFFAOYSA-N 1 1 309.331 3.813 20 30 DHEDMO N#CC1(CCC[N@@H+]2CC[C@H](c3ccccc3F)C2)CCOCC1 ZINC000281869256 334129156 /nfs/dbraw/zinc/12/91/56/334129156.db2.gz CDUNOZUUNDDFGE-INIZCTEOSA-N 1 1 316.420 3.716 20 30 DHEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000282021879 334130577 /nfs/dbraw/zinc/13/05/77/334130577.db2.gz PFQGMMRXJWOQDR-PKOBYXMFSA-N 1 1 312.457 3.965 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000286056950 334151014 /nfs/dbraw/zinc/15/10/14/334151014.db2.gz RHWZDGZTOQKBDS-QRVBRYPASA-N 1 1 312.457 3.821 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1 ZINC000286208213 334151968 /nfs/dbraw/zinc/15/19/68/334151968.db2.gz YFQQTVDJYWJUIG-NJDAHSKKSA-N 1 1 318.420 3.563 20 30 DHEDMO CC(C)(C#N)CC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000287604668 334158153 /nfs/dbraw/zinc/15/81/53/334158153.db2.gz DJLUPLYDYFZOHU-UHFFFAOYSA-N 1 1 304.409 3.747 20 30 DHEDMO N#CCCCCNc1cc(NCCCCC#N)c2ccncc2[nH+]1 ZINC000287998238 334159047 /nfs/dbraw/zinc/15/90/47/334159047.db2.gz RXHRZUVKHWVIHA-UHFFFAOYSA-N 1 1 322.416 3.841 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000289372201 334164594 /nfs/dbraw/zinc/16/45/94/334164594.db2.gz AXTJROVBUGEUGF-ROUUACIJSA-N 1 1 312.457 3.877 20 30 DHEDMO C[N@@H+](Cc1nc(-c2cccs2)no1)CC(C)(C)CCC#N ZINC000289582071 334166630 /nfs/dbraw/zinc/16/66/30/334166630.db2.gz UAXHSHBAHJAZIP-UHFFFAOYSA-N 1 1 304.419 3.560 20 30 DHEDMO N#C[C@@H]1CC[C@H](N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000292829373 334192947 /nfs/dbraw/zinc/19/29/47/334192947.db2.gz OPUDVVJJCZNXSH-MXEMCNAFSA-N 1 1 323.484 3.665 20 30 DHEDMO N#C[C@@H]1CC[C@H](N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000292829373 334192948 /nfs/dbraw/zinc/19/29/48/334192948.db2.gz OPUDVVJJCZNXSH-MXEMCNAFSA-N 1 1 323.484 3.665 20 30 DHEDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCOCCC#N ZINC000293508213 334198454 /nfs/dbraw/zinc/19/84/54/334198454.db2.gz OELLSSNPCRWUBE-GFCCVEGCSA-N 1 1 300.324 3.628 20 30 DHEDMO C[N@@H+](CCc1cccc(Br)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000293576413 334199094 /nfs/dbraw/zinc/19/90/94/334199094.db2.gz NJOQLHWJQJMKKJ-DZGCQCFKSA-N 1 1 307.235 3.616 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000156722762 334228700 /nfs/dbraw/zinc/22/87/00/334228700.db2.gz PQEDMBNXHWNEGU-UHFFFAOYSA-N 1 1 312.335 3.731 20 30 DHEDMO C[C@@H]([NH2+]Cc1cc(F)cnc1Cl)c1ccc(OCC#N)cc1 ZINC000297346274 334240685 /nfs/dbraw/zinc/24/06/85/334240685.db2.gz OVQXHFSNDOCUGT-LLVKDONJSA-N 1 1 319.767 3.627 20 30 DHEDMO Cc1oc(NC(=O)C[N@@H+](C)CCC2CCCCC2)c(C#N)c1C ZINC000101565821 334327707 /nfs/dbraw/zinc/32/77/07/334327707.db2.gz OPWVPNXHCFNCJI-UHFFFAOYSA-N 1 1 317.433 3.609 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000101726976 334351025 /nfs/dbraw/zinc/35/10/25/334351025.db2.gz XYNHGOKMXGYDIC-MRXNPFEDSA-N 1 1 321.424 3.970 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)Cc2sccc2C)c1C ZINC000340896672 334389235 /nfs/dbraw/zinc/38/92/35/334389235.db2.gz JHNBISIEDVKPIO-UHFFFAOYSA-N 1 1 316.470 3.976 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)Cc2sccc2C)c1C ZINC000340896672 334389237 /nfs/dbraw/zinc/38/92/37/334389237.db2.gz JHNBISIEDVKPIO-UHFFFAOYSA-N 1 1 316.470 3.976 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3nccs3)C2)c1F ZINC000340941965 334395305 /nfs/dbraw/zinc/39/53/05/334395305.db2.gz QDJPFSIXCOEVOO-AWEZNQCLSA-N 1 1 301.390 3.533 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000341998805 334499874 /nfs/dbraw/zinc/49/98/74/334499874.db2.gz VQFFFCBSWLRORH-SUMWQHHRSA-N 1 1 324.415 3.819 20 30 DHEDMO N#Cc1cccc(C[NH+]2CCC(F)(c3cccnc3)CC2)c1F ZINC000342170385 334519240 /nfs/dbraw/zinc/51/92/40/334519240.db2.gz KVITWJNMFCSETD-UHFFFAOYSA-N 1 1 313.351 3.553 20 30 DHEDMO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](CO)c2c(Cl)cccc2Cl)C1 ZINC000475630267 334913679 /nfs/dbraw/zinc/91/36/79/334913679.db2.gz ZBRCPTXGOMPCMB-SUNKGSAMSA-N 1 1 313.228 3.699 20 30 DHEDMO C[C@H]1COC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343713000 335186061 /nfs/dbraw/zinc/18/60/61/335186061.db2.gz GWQKTNSDXGAJSD-JXFKEZNVSA-N 1 1 306.409 3.715 20 30 DHEDMO C[C@H]1COC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343713000 335186062 /nfs/dbraw/zinc/18/60/62/335186062.db2.gz GWQKTNSDXGAJSD-JXFKEZNVSA-N 1 1 306.409 3.715 20 30 DHEDMO C=CCCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343757880 335191002 /nfs/dbraw/zinc/19/10/02/335191002.db2.gz RTFRHRILCXNAIF-GFCCVEGCSA-N 1 1 301.356 3.585 20 30 DHEDMO C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000343770613 335191781 /nfs/dbraw/zinc/19/17/81/335191781.db2.gz QPVCTRKKOVZMGK-KRWDZBQOSA-N 1 1 308.425 3.526 20 30 DHEDMO N#CC1(CCC[N@H+]2CCC[C@@]3(CC=CCC3)C2)CCOCC1 ZINC000366849966 335203347 /nfs/dbraw/zinc/20/33/47/335203347.db2.gz KBRYDNNKKGHXCO-IBGZPJMESA-N 1 1 302.462 3.909 20 30 DHEDMO CC[N@H+](Cc1cn2ccccc2c1C#N)Cc1cccc(F)c1 ZINC000344066835 335214760 /nfs/dbraw/zinc/21/47/60/335214760.db2.gz DTHZBDGIVLZORH-UHFFFAOYSA-N 1 1 307.372 3.972 20 30 DHEDMO CC[N@@H+](Cc1cn2ccccc2c1C#N)Cc1cccc(F)c1 ZINC000344066835 335214761 /nfs/dbraw/zinc/21/47/61/335214761.db2.gz DTHZBDGIVLZORH-UHFFFAOYSA-N 1 1 307.372 3.972 20 30 DHEDMO C[C@H]([NH2+][C@@H]1COc2ccc(F)cc21)c1ccc(C#N)c(F)c1 ZINC000344140160 335221091 /nfs/dbraw/zinc/22/10/91/335221091.db2.gz VRTPWROCLSLAOY-MGPLVRAMSA-N 1 1 300.308 3.621 20 30 DHEDMO COc1cccc(C[NH2+]Cc2ccc(C#N)s2)c1OC(F)F ZINC000344408131 335246541 /nfs/dbraw/zinc/24/65/41/335246541.db2.gz LUWKDORJTQHLEJ-UHFFFAOYSA-N 1 1 324.352 3.520 20 30 DHEDMO C[N@H+](CCOc1ccccc1C#N)Cc1nc2ccccc2s1 ZINC000345216675 335309316 /nfs/dbraw/zinc/30/93/16/335309316.db2.gz WDQOCKCLULHDNL-UHFFFAOYSA-N 1 1 323.421 3.679 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C#N)Cc1nc2ccccc2s1 ZINC000345216675 335309317 /nfs/dbraw/zinc/30/93/17/335309317.db2.gz WDQOCKCLULHDNL-UHFFFAOYSA-N 1 1 323.421 3.679 20 30 DHEDMO C[N@H+](CCC(C)(C)C#N)[C@@H]1CCCN(CCC(C)(C)C#N)CC1 ZINC000345731726 335346438 /nfs/dbraw/zinc/34/64/38/335346438.db2.gz TVOXGBYTHQNJOY-QGZVFWFLSA-N 1 1 318.509 3.652 20 30 DHEDMO C[N@@H+](CCC(C)(C)C#N)[C@@H]1CCCN(CCC(C)(C)C#N)CC1 ZINC000345731726 335346440 /nfs/dbraw/zinc/34/64/40/335346440.db2.gz TVOXGBYTHQNJOY-QGZVFWFLSA-N 1 1 318.509 3.652 20 30 DHEDMO CN(CCC(C)(C)C#N)[C@@H]1CCC[N@H+](CCC(C)(C)C#N)CC1 ZINC000345731726 335346441 /nfs/dbraw/zinc/34/64/41/335346441.db2.gz TVOXGBYTHQNJOY-QGZVFWFLSA-N 1 1 318.509 3.652 20 30 DHEDMO CN(CCC(C)(C)C#N)[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)CC1 ZINC000345731726 335346443 /nfs/dbraw/zinc/34/64/43/335346443.db2.gz TVOXGBYTHQNJOY-QGZVFWFLSA-N 1 1 318.509 3.652 20 30 DHEDMO C=C(C)C[N@@H+](C)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000351099577 336013741 /nfs/dbraw/zinc/01/37/41/336013741.db2.gz LFPMNMXIABUQPI-UHFFFAOYSA-N 1 1 300.324 3.542 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000351581082 336047070 /nfs/dbraw/zinc/04/70/70/336047070.db2.gz GFELVJWJNSLPRB-UHFFFAOYSA-N 1 1 318.424 3.764 20 30 DHEDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1nc(-c2ccccn2)cs1 ZINC000329900293 336093546 /nfs/dbraw/zinc/09/35/46/336093546.db2.gz NOJFHEAMEFRMNV-RYUDHWBXSA-N 1 1 316.430 3.666 20 30 DHEDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1nc(-c2ccccn2)cs1 ZINC000329900295 336093622 /nfs/dbraw/zinc/09/36/22/336093622.db2.gz NOJFHEAMEFRMNV-VXGBXAGGSA-N 1 1 316.430 3.666 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000351912132 336132148 /nfs/dbraw/zinc/13/21/48/336132148.db2.gz FDOLIZQRPIZPJH-CYBMUJFWSA-N 1 1 309.479 3.765 20 30 DHEDMO COc1c(O)cccc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000352611120 336227405 /nfs/dbraw/zinc/22/74/05/336227405.db2.gz CYNSZTJDGCMIFL-UHFFFAOYSA-N 1 1 320.392 3.562 20 30 DHEDMO COc1c(O)cccc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000352611120 336227406 /nfs/dbraw/zinc/22/74/06/336227406.db2.gz CYNSZTJDGCMIFL-UHFFFAOYSA-N 1 1 320.392 3.562 20 30 DHEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)C1Cc2ccccc2C1 ZINC000352672522 336229813 /nfs/dbraw/zinc/22/98/13/336229813.db2.gz TZUTVOBODNENIO-UHFFFAOYSA-N 1 1 320.436 3.968 20 30 DHEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCC[C@H]1O ZINC000352674782 336229932 /nfs/dbraw/zinc/22/99/32/336229932.db2.gz QDALQEPIWXUUSP-WOJBJXKFSA-N 1 1 306.409 3.570 20 30 DHEDMO CCN(Cc1ccc(C#N)o1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000352681723 336230166 /nfs/dbraw/zinc/23/01/66/336230166.db2.gz NEYCYKBLSXCBFV-AEFFLSMTSA-N 1 1 323.440 3.809 20 30 DHEDMO CCCC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000352691116 336230607 /nfs/dbraw/zinc/23/06/07/336230607.db2.gz IVCDEMGGFNBNBP-UHFFFAOYSA-N 1 1 308.429 3.723 20 30 DHEDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cn1 ZINC000526287182 336243638 /nfs/dbraw/zinc/24/36/38/336243638.db2.gz DJRIJWIPEZQBQS-GFCCVEGCSA-N 1 1 302.809 3.840 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000532582973 336256450 /nfs/dbraw/zinc/25/64/50/336256450.db2.gz XEXMKMRIEOURFE-LLVKDONJSA-N 1 1 321.421 3.660 20 30 DHEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000532586461 336256662 /nfs/dbraw/zinc/25/66/62/336256662.db2.gz WMCGWTMUIOERNR-HIFRSBDPSA-N 1 1 319.474 3.849 20 30 DHEDMO CC(C)[N@H+](C)CC1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000532621484 336257068 /nfs/dbraw/zinc/25/70/68/336257068.db2.gz WISVPVANWULLPQ-UHFFFAOYSA-N 1 1 318.892 3.744 20 30 DHEDMO CC(C)[N@@H+](C)CC1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000532621484 336257069 /nfs/dbraw/zinc/25/70/69/336257069.db2.gz WISVPVANWULLPQ-UHFFFAOYSA-N 1 1 318.892 3.744 20 30 DHEDMO CC(C)(C)OCc1cccc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352824007 336258284 /nfs/dbraw/zinc/25/82/84/336258284.db2.gz PQCPTMQPXHMOMU-UHFFFAOYSA-N 1 1 315.442 3.620 20 30 DHEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(-c2ccncc2)cc1 ZINC000352826629 336263837 /nfs/dbraw/zinc/26/38/37/336263837.db2.gz VZYGFJOGEHNXKY-CYBMUJFWSA-N 1 1 320.421 3.928 20 30 DHEDMO CC[N@@H+](CCc1cccs1)Cc1ccc(OC)c(C#N)c1 ZINC000532745223 336269120 /nfs/dbraw/zinc/26/91/20/336269120.db2.gz UVTXURFTXNQRLF-UHFFFAOYSA-N 1 1 300.427 3.693 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@](C)(c3ccccc3)C2)cc1C#N ZINC000532745087 336269143 /nfs/dbraw/zinc/26/91/43/336269143.db2.gz HTMXBSBNTPVUFF-HXUWFJFHSA-N 1 1 306.409 3.730 20 30 DHEDMO C[C@H]1C[C@H](CCNc2ncccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000532797321 336271645 /nfs/dbraw/zinc/27/16/45/336271645.db2.gz UVHAPUMCGSOYRJ-WMZOPIPTSA-N 1 1 320.440 3.666 20 30 DHEDMO C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352835754 336272139 /nfs/dbraw/zinc/27/21/39/336272139.db2.gz LCYRNAGFVFCIRJ-QFYYESIMSA-N 1 1 301.390 3.567 20 30 DHEDMO C[C@@H](CNc1ccc(C#N)cc1F)[N@H+]1CCc2sccc2C1 ZINC000301156815 336292403 /nfs/dbraw/zinc/29/24/03/336292403.db2.gz RSSAVXVBCHZKDY-LBPRGKRZSA-N 1 1 315.417 3.618 20 30 DHEDMO C[N@H+](Cc1ccccc1)CC1CCN(c2ccc(C#N)cc2)CC1 ZINC000301162909 336292809 /nfs/dbraw/zinc/29/28/09/336292809.db2.gz STSFKIHACGPAKN-UHFFFAOYSA-N 1 1 319.452 3.907 20 30 DHEDMO N#Cc1cccc(Cl)c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000301203921 336294788 /nfs/dbraw/zinc/29/47/88/336294788.db2.gz OVJWLBNMQQXGHA-UHFFFAOYSA-N 1 1 311.816 3.534 20 30 DHEDMO N#Cc1cc(F)ccc1NCCC[N@H+]1CCc2ccccc2C1 ZINC000301354347 336302167 /nfs/dbraw/zinc/30/21/67/336302167.db2.gz JZRZSGXYIIZLON-UHFFFAOYSA-N 1 1 309.388 3.558 20 30 DHEDMO Cc1[nH+]ccn1CCCCNc1cc(C#N)nc2ccccc21 ZINC000301427626 336306085 /nfs/dbraw/zinc/30/60/85/336306085.db2.gz PMJSMGAAIIKJSE-UHFFFAOYSA-N 1 1 305.385 3.504 20 30 DHEDMO N#Cc1cnc2ccccc2c1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000301466304 336308571 /nfs/dbraw/zinc/30/85/71/336308571.db2.gz LQZWXVAZAXLLAN-KRWDZBQOSA-N 1 1 320.440 3.783 20 30 DHEDMO CCCC[N@@H+](C)CC1CCN(c2ccc(C#N)cc2F)CC1 ZINC000301549822 336314211 /nfs/dbraw/zinc/31/42/11/336314211.db2.gz VAEPUCGOUAZADI-UHFFFAOYSA-N 1 1 303.425 3.646 20 30 DHEDMO C[C@@H]1C[N@H+](CCCCNc2cc(Cl)ccc2C#N)C[C@H](C)O1 ZINC000301710418 336324863 /nfs/dbraw/zinc/32/48/63/336324863.db2.gz HSECTMDZLKMJKB-OKILXGFUSA-N 1 1 321.852 3.513 20 30 DHEDMO N#Cc1cccc(Cl)c1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301803017 336331149 /nfs/dbraw/zinc/33/11/49/336331149.db2.gz WSOIISZPHXPKHE-YOEHRIQHSA-N 1 1 315.848 3.665 20 30 DHEDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(Cl)c(C#N)n1 ZINC000302050189 336345571 /nfs/dbraw/zinc/34/55/71/336345571.db2.gz ZZJBWVGUYWYPJZ-ZDUSSCGKSA-N 1 1 314.820 3.539 20 30 DHEDMO Cc1ccc(C#N)c(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)n1 ZINC000302451108 336359119 /nfs/dbraw/zinc/35/91/19/336359119.db2.gz NMSTYRGAVTYYJT-LJQANCHMSA-N 1 1 320.440 3.584 20 30 DHEDMO Cc1ccc(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)nc1C#N ZINC000302607107 336362381 /nfs/dbraw/zinc/36/23/81/336362381.db2.gz DIXZWPHPLDJFGR-MRXNPFEDSA-N 1 1 308.429 3.584 20 30 DHEDMO Cc1cn2c([nH+]1)CC[C@H](Nc1ccc(C(F)(F)F)c(C#N)c1)C2 ZINC000302614762 336362683 /nfs/dbraw/zinc/36/26/83/336362683.db2.gz CERPFFVNMYFTHP-ZDUSSCGKSA-N 1 1 320.318 3.509 20 30 DHEDMO Cc1cn2c([nH+]1)CC[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)C2 ZINC000302710788 336366044 /nfs/dbraw/zinc/36/60/44/336366044.db2.gz ZJVHROJHQIDPOB-ZDUSSCGKSA-N 1 1 320.318 3.509 20 30 DHEDMO Cc1ccc(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)nc1C#N ZINC000302748038 336367738 /nfs/dbraw/zinc/36/77/38/336367738.db2.gz FXSMSNUVXPYIAX-IBGZPJMESA-N 1 1 320.440 3.584 20 30 DHEDMO C[C@H](CCNc1c(C#N)cccc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000302883377 336373068 /nfs/dbraw/zinc/37/30/68/336373068.db2.gz KVZZGHNXMYOKIO-MRXNPFEDSA-N 1 1 318.424 3.752 20 30 DHEDMO COc1cccc(C2=CC[N@@H+](Cc3cc(C#N)cs3)CC2)c1 ZINC000352944944 336378604 /nfs/dbraw/zinc/37/86/04/336378604.db2.gz IAUSEZWOKBVAHA-UHFFFAOYSA-N 1 1 310.422 3.918 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000106245104 336389098 /nfs/dbraw/zinc/38/90/98/336389098.db2.gz HYCOCSBTBBJWPW-UHFFFAOYSA-N 1 1 314.473 3.530 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000106245756 336389176 /nfs/dbraw/zinc/38/91/76/336389176.db2.gz RWLXPIVWYYKVQB-UHFFFAOYSA-N 1 1 312.379 3.836 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1ncc[nH]1 ZINC000353631558 336430294 /nfs/dbraw/zinc/43/02/94/336430294.db2.gz LXPNJBVTFAKXSZ-AWEZNQCLSA-N 1 1 302.381 3.799 20 30 DHEDMO COc1ccc(OC)c(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000358590481 336635976 /nfs/dbraw/zinc/63/59/76/336635976.db2.gz NUSGBUPXVWYBPL-GFCCVEGCSA-N 1 1 314.360 3.565 20 30 DHEDMO COc1cc(F)cc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000358596033 336636145 /nfs/dbraw/zinc/63/61/45/336636145.db2.gz WAWQJBKDNWTOLR-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)c1C ZINC000360930651 336727889 /nfs/dbraw/zinc/72/78/89/336727889.db2.gz JUIXXNADBJOHRW-UHFFFAOYSA-N 1 1 316.364 3.613 20 30 DHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3sccc3C#N)cc2)c1C ZINC000360938198 336728418 /nfs/dbraw/zinc/72/84/18/336728418.db2.gz RPTODUYCEVWAJK-UHFFFAOYSA-N 1 1 322.393 3.675 20 30 DHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3cc(C#N)cs3)cc2)c1C ZINC000360942183 336728541 /nfs/dbraw/zinc/72/85/41/336728541.db2.gz GYMPCLOZDGPXCX-UHFFFAOYSA-N 1 1 322.393 3.675 20 30 DHEDMO CCOc1cc(C[NH2+]CC2(C#N)CCC2)cc(Cl)c1OC ZINC000418143095 336896668 /nfs/dbraw/zinc/89/66/68/336896668.db2.gz OSVCJWBGXCOKRO-UHFFFAOYSA-N 1 1 308.809 3.531 20 30 DHEDMO CC(C)Oc1cc(C[N@H+](Cc2cccc(C#N)c2)C2CC2)ccn1 ZINC000122407286 337008000 /nfs/dbraw/zinc/00/80/00/337008000.db2.gz OISUDLVGOBYQPB-UHFFFAOYSA-N 1 1 321.424 3.905 20 30 DHEDMO CC(C)Oc1cc(C[N@@H+](Cc2cccc(C#N)c2)C2CC2)ccn1 ZINC000122407286 337008001 /nfs/dbraw/zinc/00/80/01/337008001.db2.gz OISUDLVGOBYQPB-UHFFFAOYSA-N 1 1 321.424 3.905 20 30 DHEDMO Cc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)s1 ZINC000305052204 337011438 /nfs/dbraw/zinc/01/14/38/337011438.db2.gz AONMBYQSMGXOSR-IRXDYDNUSA-N 1 1 312.438 3.799 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@]3(CCCCO3)C2)cc1 ZINC000376116939 337027479 /nfs/dbraw/zinc/02/74/79/337027479.db2.gz RIDOMXCWXHZPIM-APWZRJJASA-N 1 1 314.429 3.513 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000122968562 337031201 /nfs/dbraw/zinc/03/12/01/337031201.db2.gz ATGNGZFLVJKTOJ-INIZCTEOSA-N 1 1 314.404 3.723 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000376389763 337032436 /nfs/dbraw/zinc/03/24/36/337032436.db2.gz YOFLMKXTPORZPV-CVEARBPZSA-N 1 1 318.465 3.708 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2cc(C#N)cc(C)n2)cc1 ZINC000376450798 337033740 /nfs/dbraw/zinc/03/37/40/337033740.db2.gz RRFZQGGOBIQOCQ-CQSZACIVSA-N 1 1 317.396 3.929 20 30 DHEDMO C[N@H+]1CCC[C@H](CNc2cc(C#N)ccn2)[C@H]1c1cccs1 ZINC000376449691 337033742 /nfs/dbraw/zinc/03/37/42/337033742.db2.gz QINAIQZVJRFNJA-PBHICJAKSA-N 1 1 312.442 3.510 20 30 DHEDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000376551384 337036583 /nfs/dbraw/zinc/03/65/83/337036583.db2.gz HYCBJHVOARMFJI-WMZOPIPTSA-N 1 1 313.445 3.565 20 30 DHEDMO N#CC1(CCC[N@@H+]2CCc3c4ccccc4[nH]c3C2)CCOCC1 ZINC000377103111 337046857 /nfs/dbraw/zinc/04/68/57/337046857.db2.gz FZWIPXDUMJURDW-UHFFFAOYSA-N 1 1 323.440 3.627 20 30 DHEDMO N#CC1(CCC[N@H+]2CCc3c4ccccc4[nH]c3C2)CCOCC1 ZINC000377103111 337046858 /nfs/dbraw/zinc/04/68/58/337046858.db2.gz FZWIPXDUMJURDW-UHFFFAOYSA-N 1 1 323.440 3.627 20 30 DHEDMO C[N@@H+](Cc1ccccc1C#N)C1CCN(c2ccccc2)CC1 ZINC000377357251 337050992 /nfs/dbraw/zinc/05/09/92/337050992.db2.gz GPFJOOLLULCPMO-UHFFFAOYSA-N 1 1 305.425 3.659 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000378152457 337067340 /nfs/dbraw/zinc/06/73/40/337067340.db2.gz YSSVNIQDPOQDGM-IBGZPJMESA-N 1 1 309.457 3.801 20 30 DHEDMO CC[C@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000378351966 337070849 /nfs/dbraw/zinc/07/08/49/337070849.db2.gz VBNYVMQAXDYERV-SFHVURJKSA-N 1 1 308.429 3.838 20 30 DHEDMO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000378648953 337077649 /nfs/dbraw/zinc/07/76/49/337077649.db2.gz LHRBEIRXPNBKIQ-DZGCQCFKSA-N 1 1 321.346 3.938 20 30 DHEDMO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000378648953 337077650 /nfs/dbraw/zinc/07/76/50/337077650.db2.gz LHRBEIRXPNBKIQ-DZGCQCFKSA-N 1 1 321.346 3.938 20 30 DHEDMO Cc1ccc(C[N@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000173490688 337135530 /nfs/dbraw/zinc/13/55/30/337135530.db2.gz MQRAPVYTIMFBJN-UHFFFAOYSA-N 1 1 318.380 3.549 20 30 DHEDMO Cc1ccc(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000173490688 337135531 /nfs/dbraw/zinc/13/55/31/337135531.db2.gz MQRAPVYTIMFBJN-UHFFFAOYSA-N 1 1 318.380 3.549 20 30 DHEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000174799877 337143611 /nfs/dbraw/zinc/14/36/11/337143611.db2.gz MMDDBGNOFYEGRN-DZGCQCFKSA-N 1 1 319.474 3.849 20 30 DHEDMO CC(C)(C#N)CCCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000174830879 337145015 /nfs/dbraw/zinc/14/50/15/337145015.db2.gz VPVBSYWPZRWJOS-UHFFFAOYSA-N 1 1 305.510 3.904 20 30 DHEDMO C=C(Br)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000175600924 337148390 /nfs/dbraw/zinc/14/83/90/337148390.db2.gz AKVCUOHHRKWZIZ-UHFFFAOYSA-N 1 1 302.256 3.566 20 30 DHEDMO C=CCCCC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000176249026 337149689 /nfs/dbraw/zinc/14/96/89/337149689.db2.gz FNDVFKKOWJQLCT-LJQANCHMSA-N 1 1 314.473 3.713 20 30 DHEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176129468 337150390 /nfs/dbraw/zinc/15/03/90/337150390.db2.gz DGHOPYOZSOBINT-SJLPKXTDSA-N 1 1 300.446 3.512 20 30 DHEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000179424248 337169411 /nfs/dbraw/zinc/16/94/11/337169411.db2.gz RTHZZKLCZDCPGU-RDJZCZTQSA-N 1 1 306.837 3.558 20 30 DHEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000179424248 337169412 /nfs/dbraw/zinc/16/94/12/337169412.db2.gz RTHZZKLCZDCPGU-RDJZCZTQSA-N 1 1 306.837 3.558 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000179653892 337170783 /nfs/dbraw/zinc/17/07/83/337170783.db2.gz BBRKOEIOFRKUJW-UHFFFAOYSA-N 1 1 320.392 3.562 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180001065 337173080 /nfs/dbraw/zinc/17/30/80/337173080.db2.gz ASIRETUDNBYVMP-HNNXBMFYSA-N 1 1 308.429 3.581 20 30 DHEDMO C=CCOc1cccc(C[N@@H+](CC)CCc2nccs2)c1 ZINC000180026990 337173179 /nfs/dbraw/zinc/17/31/79/337173179.db2.gz PZXPSURLSDZWRU-UHFFFAOYSA-N 1 1 302.443 3.773 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)o1 ZINC000180658162 337177123 /nfs/dbraw/zinc/17/71/23/337177123.db2.gz UVYJMOZNGBRSEE-UHFFFAOYSA-N 1 1 303.365 3.922 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)o1 ZINC000180658162 337177124 /nfs/dbraw/zinc/17/71/24/337177124.db2.gz UVYJMOZNGBRSEE-UHFFFAOYSA-N 1 1 303.365 3.922 20 30 DHEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(-c2ccncc2)cc1 ZINC000180888628 337178487 /nfs/dbraw/zinc/17/84/87/337178487.db2.gz PFLPYJSQJUHHPA-JKSUJKDBSA-N 1 1 304.397 3.843 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000185985793 337253706 /nfs/dbraw/zinc/25/37/06/337253706.db2.gz SZVAQJBWYODTJI-HUUCEWRRSA-N 1 1 311.429 3.960 20 30 DHEDMO N#CCC1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000397239118 337257772 /nfs/dbraw/zinc/25/77/72/337257772.db2.gz WXDCRDVEBGWZDD-UHFFFAOYSA-N 1 1 311.198 3.714 20 30 DHEDMO C[C@H]1CCCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000187938613 337268873 /nfs/dbraw/zinc/26/88/73/337268873.db2.gz LRUNERISWYWXGI-HNNXBMFYSA-N 1 1 308.429 3.581 20 30 DHEDMO C=CCC1(C(=O)NCc2cccc(C[N@H+](C)CC)c2)CCC1 ZINC000189944495 337283672 /nfs/dbraw/zinc/28/36/72/337283672.db2.gz AQBRKKYUMPJLPM-UHFFFAOYSA-N 1 1 300.446 3.501 20 30 DHEDMO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1nc(-c2ccccc2)cs1 ZINC000190983545 337292015 /nfs/dbraw/zinc/29/20/15/337292015.db2.gz HPAZEQZRKPGCGJ-ZDUSSCGKSA-N 1 1 322.437 3.871 20 30 DHEDMO Cn1cc(C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)cc1C#N ZINC000191241436 337295164 /nfs/dbraw/zinc/29/51/64/337295164.db2.gz FGCSFNKXXHJVMB-FQEVSTJZSA-N 1 1 305.425 3.939 20 30 DHEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191382852 337296423 /nfs/dbraw/zinc/29/64/23/337296423.db2.gz KWNNIIVHJZTYDG-ZDUSSCGKSA-N 1 1 301.821 3.613 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCSCC[C@H]2C)cc1OC ZINC000191815698 337300363 /nfs/dbraw/zinc/30/03/63/337300363.db2.gz HESKOTUTDKSCDP-CQSZACIVSA-N 1 1 307.459 3.587 20 30 DHEDMO Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000191889558 337300900 /nfs/dbraw/zinc/30/09/00/337300900.db2.gz VMISXDACNGHIRV-UHFFFAOYSA-N 1 1 316.408 3.684 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccc(C#N)c(F)c2)C2CC2)cc1 ZINC000191968517 337301534 /nfs/dbraw/zinc/30/15/34/337301534.db2.gz AXENJAHAQCELTI-UHFFFAOYSA-N 1 1 305.356 3.734 20 30 DHEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCC1 ZINC000191825574 337301684 /nfs/dbraw/zinc/30/16/84/337301684.db2.gz WDVAIQGAFAXDIM-SFHVURJKSA-N 1 1 312.457 3.514 20 30 DHEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cccnc1C#N ZINC000398006682 337303634 /nfs/dbraw/zinc/30/36/34/337303634.db2.gz BGAGRPSHQOELPF-IBGZPJMESA-N 1 1 308.429 3.522 20 30 DHEDMO CC(C)C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000532922967 337326628 /nfs/dbraw/zinc/32/66/28/337326628.db2.gz TZJDXGSHGIUXHE-UHFFFAOYSA-N 1 1 307.825 3.517 20 30 DHEDMO N#Cc1cnn2cc(C[N@H+]3CCCC4(C3)CCCCCC4)cnc12 ZINC000583872484 337365188 /nfs/dbraw/zinc/36/51/88/337365188.db2.gz LTIRTEJWOPWFCD-UHFFFAOYSA-N 1 1 323.444 3.537 20 30 DHEDMO N#CCC[C@H](C#N)C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000111382524 337389754 /nfs/dbraw/zinc/38/97/54/337389754.db2.gz LUYDFTGETYSJCL-CQSZACIVSA-N 1 1 324.403 3.930 20 30 DHEDMO C[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1F ZINC000423522671 337724549 /nfs/dbraw/zinc/72/45/49/337724549.db2.gz VEBDETHBIUXVTO-LIRRHRJNSA-N 1 1 311.404 3.828 20 30 DHEDMO C=CCn1cc(C[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)nn1 ZINC000424300421 337817432 /nfs/dbraw/zinc/81/74/32/337817432.db2.gz XMBYDWIYGZHOLK-QGZVFWFLSA-N 1 1 316.836 3.675 20 30 DHEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CC1(C)C ZINC000426542251 338034504 /nfs/dbraw/zinc/03/45/04/338034504.db2.gz DOFWNKBGFOVKPO-QGZVFWFLSA-N 1 1 308.429 3.694 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000428247727 338044300 /nfs/dbraw/zinc/04/43/00/338044300.db2.gz VCURNCPOGPGPTJ-OAHLLOKOSA-N 1 1 312.363 3.901 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000428393927 338050003 /nfs/dbraw/zinc/05/00/03/338050003.db2.gz QPHRRJXNNDYUQW-IBGZPJMESA-N 1 1 301.430 3.642 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1cccc(C)c1C ZINC000428724517 338059572 /nfs/dbraw/zinc/05/95/72/338059572.db2.gz WPDANAFWVLBQJD-UHFFFAOYSA-N 1 1 324.424 3.695 20 30 DHEDMO CC#CCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000428922515 338065161 /nfs/dbraw/zinc/06/51/61/338065161.db2.gz CVMATRUUKJKZJR-BBRMVZONSA-N 1 1 311.347 3.881 20 30 DHEDMO CC#CCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000428922515 338065162 /nfs/dbraw/zinc/06/51/62/338065162.db2.gz CVMATRUUKJKZJR-BBRMVZONSA-N 1 1 311.347 3.881 20 30 DHEDMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCC(C)(C)C#N ZINC000428993118 338068035 /nfs/dbraw/zinc/06/80/35/338068035.db2.gz CRZZMPJZDWDBOS-CYBMUJFWSA-N 1 1 323.843 3.929 20 30 DHEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)[C@@H]1OCCc2sccc21 ZINC000429145901 338071790 /nfs/dbraw/zinc/07/17/90/338071790.db2.gz VYJPELYOWMPUBX-GTNSWQLSSA-N 1 1 316.401 3.551 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1cc(C)ccc1C ZINC000429301225 338077236 /nfs/dbraw/zinc/07/72/36/338077236.db2.gz KVMVLESDMORKJJ-UHFFFAOYSA-N 1 1 324.424 3.695 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)Cc1csc(-c2cccs2)n1 ZINC000429708692 338087931 /nfs/dbraw/zinc/08/79/31/338087931.db2.gz KXPRWZABFSMGBQ-UHFFFAOYSA-N 1 1 321.515 3.811 20 30 DHEDMO CC(C)C1CCC([N@@H+](C)CC(=O)Nc2sccc2C#N)CC1 ZINC000433182710 338184599 /nfs/dbraw/zinc/18/45/99/338184599.db2.gz OVOLSVNKGNCVAR-UHFFFAOYSA-N 1 1 319.474 3.705 20 30 DHEDMO C=CCC[C@H](NC(=O)NCC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC000435095959 338232107 /nfs/dbraw/zinc/23/21/07/338232107.db2.gz KAENSUDTZXOXDK-WMZOPIPTSA-N 1 1 317.477 3.723 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2c(C#N)cccc2C#N)C1 ZINC000436317717 338268891 /nfs/dbraw/zinc/26/88/91/338268891.db2.gz NFHYXSKRFZUKBR-KXBFYZLASA-N 1 1 316.408 3.677 20 30 DHEDMO CC[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)C[C@H](C)C#N ZINC000155649781 338299162 /nfs/dbraw/zinc/29/91/62/338299162.db2.gz IRPYCCMFKTYIEI-MRXNPFEDSA-N 1 1 318.424 3.983 20 30 DHEDMO CC[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)C[C@H](C)C#N ZINC000155649781 338299163 /nfs/dbraw/zinc/29/91/63/338299163.db2.gz IRPYCCMFKTYIEI-MRXNPFEDSA-N 1 1 318.424 3.983 20 30 DHEDMO CN(c1ccccc1)c1ccc(C[NH+]2CCC(C#N)CC2)cn1 ZINC000437145450 338302620 /nfs/dbraw/zinc/30/26/20/338302620.db2.gz MJLGIPGFPSFBBP-UHFFFAOYSA-N 1 1 306.413 3.585 20 30 DHEDMO C[C@H](C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccc(F)cc1 ZINC000438101269 338331506 /nfs/dbraw/zinc/33/15/06/338331506.db2.gz FSQDIONMKWTPML-QRWLVFNGSA-N 1 1 324.399 3.874 20 30 DHEDMO C[C@H](C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccc(F)cc1 ZINC000438101269 338331507 /nfs/dbraw/zinc/33/15/07/338331507.db2.gz FSQDIONMKWTPML-QRWLVFNGSA-N 1 1 324.399 3.874 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](C(C)C)C1 ZINC000438486378 338345789 /nfs/dbraw/zinc/34/57/89/338345789.db2.gz PELNVWNFNBPHIS-HOTGVXAUSA-N 1 1 320.502 3.629 20 30 DHEDMO CC(C)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000438485499 338345905 /nfs/dbraw/zinc/34/59/05/338345905.db2.gz LQVGONXTQKIQIX-GXTWGEPZSA-N 1 1 319.836 3.517 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1Cl)C[C@@H]1CCCCO1 ZINC000439434940 338369190 /nfs/dbraw/zinc/36/91/90/338369190.db2.gz FYFJWLMLOGFWAK-INIZCTEOSA-N 1 1 306.837 3.993 20 30 DHEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439447689 338369872 /nfs/dbraw/zinc/36/98/72/338369872.db2.gz GCIDLAOAWIXFDK-MRXNPFEDSA-N 1 1 314.820 3.889 20 30 DHEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439447689 338369873 /nfs/dbraw/zinc/36/98/73/338369873.db2.gz GCIDLAOAWIXFDK-MRXNPFEDSA-N 1 1 314.820 3.889 20 30 DHEDMO CN(C)c1cccc(C[N@H+](C)Cc2ccc(C#N)cc2Cl)c1 ZINC000439450152 338369880 /nfs/dbraw/zinc/36/98/80/338369880.db2.gz JQCSKPNYWIRMDI-UHFFFAOYSA-N 1 1 313.832 3.910 20 30 DHEDMO CN(C)c1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2Cl)c1 ZINC000439450152 338369881 /nfs/dbraw/zinc/36/98/81/338369881.db2.gz JQCSKPNYWIRMDI-UHFFFAOYSA-N 1 1 313.832 3.910 20 30 DHEDMO COc1ccccc1CC[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439451568 338369959 /nfs/dbraw/zinc/36/99/59/338369959.db2.gz MPSWLOJWXOAZQS-UHFFFAOYSA-N 1 1 314.816 3.895 20 30 DHEDMO C=CCCCC[C@H](C)[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000449263994 338607948 /nfs/dbraw/zinc/60/79/48/338607948.db2.gz KKWKEZODEOZKJW-HNNXBMFYSA-N 1 1 316.424 3.690 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000459339852 339023003 /nfs/dbraw/zinc/02/30/03/339023003.db2.gz MHJFEGNYDSJLKL-INIZCTEOSA-N 1 1 321.380 3.531 20 30 DHEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459346229 339023428 /nfs/dbraw/zinc/02/34/28/339023428.db2.gz PYOHFTKUUJRBQB-WMLDXEAASA-N 1 1 321.380 3.844 20 30 DHEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459346230 339023485 /nfs/dbraw/zinc/02/34/85/339023485.db2.gz PYOHFTKUUJRBQB-YOEHRIQHSA-N 1 1 321.380 3.844 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000459380898 339025949 /nfs/dbraw/zinc/02/59/49/339025949.db2.gz UHIKCZNJRKAAEZ-GOSISDBHSA-N 1 1 311.385 3.789 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000459380898 339025950 /nfs/dbraw/zinc/02/59/50/339025950.db2.gz UHIKCZNJRKAAEZ-GOSISDBHSA-N 1 1 311.385 3.789 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459470884 339031197 /nfs/dbraw/zinc/03/11/97/339031197.db2.gz AUVUENBXCFEQTQ-INIZCTEOSA-N 1 1 323.444 3.842 20 30 DHEDMO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CC(C)(C)CC#N)CC1 ZINC000459660043 339041273 /nfs/dbraw/zinc/04/12/73/339041273.db2.gz AQLRVBJCADWKOB-KRWDZBQOSA-N 1 1 313.489 3.611 20 30 DHEDMO C[C@H](C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)C(=O)OC(C)(C)C ZINC000459787371 339048569 /nfs/dbraw/zinc/04/85/69/339048569.db2.gz BYSANFLMBMFITI-KGLIPLIRSA-N 1 1 302.418 3.529 20 30 DHEDMO CC#CCC[N@@H+]1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000462311457 339075459 /nfs/dbraw/zinc/07/54/59/339075459.db2.gz BKVVYUPCWALNQZ-GOSISDBHSA-N 1 1 315.457 3.904 20 30 DHEDMO C=CCOc1ccc(CN[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000462750792 339086911 /nfs/dbraw/zinc/08/69/11/339086911.db2.gz RAYGAJGEMCKKCB-LJQANCHMSA-N 1 1 314.473 3.606 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H]2CCN(CC3CCCC3)C2)cc1 ZINC000462750792 339086912 /nfs/dbraw/zinc/08/69/12/339086912.db2.gz RAYGAJGEMCKKCB-LJQANCHMSA-N 1 1 314.473 3.606 20 30 DHEDMO N#Cc1cccc(Cl)c1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462953797 339098966 /nfs/dbraw/zinc/09/89/66/339098966.db2.gz YVNUPUXPYKWUIG-OAHLLOKOSA-N 1 1 303.837 3.888 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOc1ccc(F)cc1 ZINC000464826689 339155719 /nfs/dbraw/zinc/15/57/19/339155719.db2.gz FBOQNLCOQQSMPX-VQTJNVASSA-N 1 1 324.399 3.976 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOc1ccc(F)cc1 ZINC000464826689 339155720 /nfs/dbraw/zinc/15/57/20/339155720.db2.gz FBOQNLCOQQSMPX-VQTJNVASSA-N 1 1 324.399 3.976 20 30 DHEDMO CC[C@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000467210164 339228395 /nfs/dbraw/zinc/22/83/95/339228395.db2.gz CDWSQHDJCDVKAO-WFASDCNBSA-N 1 1 319.836 3.661 20 30 DHEDMO C=CCC(CC=C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000467528301 339240883 /nfs/dbraw/zinc/24/08/83/339240883.db2.gz FJJLNMZRTCWRSA-MRXNPFEDSA-N 1 1 306.494 3.772 20 30 DHEDMO C=CC[N@@H+](CCOCC(F)(F)C(F)F)Cc1ccccc1F ZINC000468824500 339271855 /nfs/dbraw/zinc/27/18/55/339271855.db2.gz FCBCPYMCVFSQIW-UHFFFAOYSA-N 1 1 323.305 3.731 20 30 DHEDMO C=CC[N@H+](CCOCC(F)(F)C(F)F)Cc1ccccc1F ZINC000468824500 339271856 /nfs/dbraw/zinc/27/18/56/339271856.db2.gz FCBCPYMCVFSQIW-UHFFFAOYSA-N 1 1 323.305 3.731 20 30 DHEDMO C=CCOCCC[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000470774376 339327619 /nfs/dbraw/zinc/32/76/19/339327619.db2.gz SMKKGEPKDTWTKR-PKOBYXMFSA-N 1 1 303.446 3.658 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1cc2ccccc2o1 ZINC000472287628 339369059 /nfs/dbraw/zinc/36/90/59/339369059.db2.gz QPUFNOGPMAIBSY-HNNXBMFYSA-N 1 1 314.429 3.678 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000472287628 339369060 /nfs/dbraw/zinc/36/90/60/339369060.db2.gz QPUFNOGPMAIBSY-HNNXBMFYSA-N 1 1 314.429 3.678 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000472776230 339377440 /nfs/dbraw/zinc/37/74/40/339377440.db2.gz USPDQWJFEOJCTB-CVEARBPZSA-N 1 1 324.262 3.913 20 30 DHEDMO COC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000488697042 339790732 /nfs/dbraw/zinc/79/07/32/339790732.db2.gz UMJZQGWWVNMHPQ-GOSISDBHSA-N 1 1 317.791 3.808 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(OC)c1)c1ccc(Cl)cc1 ZINC000491777287 339880877 /nfs/dbraw/zinc/88/08/77/339880877.db2.gz WULRAIVBUIHSGZ-INIZCTEOSA-N 1 1 315.800 3.821 20 30 DHEDMO N#Cc1ccc(OCC[N@H+](Cc2cccc(O)c2)CC2CC2)cc1 ZINC000498900192 340025355 /nfs/dbraw/zinc/02/53/55/340025355.db2.gz VWUNPSPPJYKCOB-UHFFFAOYSA-N 1 1 322.408 3.555 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000499047909 340028449 /nfs/dbraw/zinc/02/84/49/340028449.db2.gz KOOXXQDYFCTAOK-BZUAXINKSA-N 1 1 320.502 3.914 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000499047909 340028450 /nfs/dbraw/zinc/02/84/50/340028450.db2.gz KOOXXQDYFCTAOK-BZUAXINKSA-N 1 1 320.502 3.914 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2ccc(C(C)(C)C)cc2)C1=O ZINC000499986096 340048143 /nfs/dbraw/zinc/04/81/43/340048143.db2.gz AYQUBWQHEGLMQA-CRAIPNDOSA-N 1 1 314.473 3.764 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)c1 ZINC000500236241 340053689 /nfs/dbraw/zinc/05/36/89/340053689.db2.gz MVSIHJFJCCTWOX-GOSISDBHSA-N 1 1 310.372 3.741 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)c1 ZINC000500236241 340053690 /nfs/dbraw/zinc/05/36/90/340053690.db2.gz MVSIHJFJCCTWOX-GOSISDBHSA-N 1 1 310.372 3.741 20 30 DHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1CC(C)C ZINC000501115524 340074701 /nfs/dbraw/zinc/07/47/01/340074701.db2.gz XIFCMPLMZICVOF-MOPGFXCFSA-N 1 1 317.473 3.665 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000502070051 340094687 /nfs/dbraw/zinc/09/46/87/340094687.db2.gz IJQJMXIDCZKRGC-KRWDZBQOSA-N 1 1 305.425 3.832 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503247548 340123836 /nfs/dbraw/zinc/12/38/36/340123836.db2.gz XAKXHLOUMFLIGV-QGZVFWFLSA-N 1 1 302.462 3.884 20 30 DHEDMO C=CCCC[C@@H](C)[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000503268800 340124481 /nfs/dbraw/zinc/12/44/81/340124481.db2.gz KVEVGYARZPZWIV-IAGOWNOFSA-N 1 1 302.462 3.883 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000505023017 340159039 /nfs/dbraw/zinc/15/90/39/340159039.db2.gz IRGKBTBOZBEVCJ-QZTJIDSGSA-N 1 1 313.445 3.554 20 30 DHEDMO C=CCOc1cccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC000506055209 340184428 /nfs/dbraw/zinc/18/44/28/340184428.db2.gz IHFWMCCFXKANRS-UHFFFAOYSA-N 1 1 311.381 3.612 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)CCc2ccccc2)cc(OC)c1O ZINC000506367424 340193182 /nfs/dbraw/zinc/19/31/82/340193182.db2.gz CQOLFWXBEGZRRB-UHFFFAOYSA-N 1 1 311.425 3.804 20 30 DHEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCC1CCCCC1 ZINC000507588556 340225559 /nfs/dbraw/zinc/22/55/59/340225559.db2.gz UZFNKDLKOVOWAS-MRXNPFEDSA-N 1 1 319.493 3.620 20 30 DHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCC1CCCCC1 ZINC000507585986 340225655 /nfs/dbraw/zinc/22/56/55/340225655.db2.gz OJMZCRKIOJLHJB-HNNXBMFYSA-N 1 1 313.445 3.787 20 30 DHEDMO CC(C)C[N@@H+](Cc1cnc2ccccn12)Cc1ccc(C#N)cc1 ZINC000507734180 340229828 /nfs/dbraw/zinc/22/98/28/340229828.db2.gz UDDVCQJNKVUSRC-UHFFFAOYSA-N 1 1 318.424 3.864 20 30 DHEDMO C=C(C)CC[N@@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000508992531 340257490 /nfs/dbraw/zinc/25/74/90/340257490.db2.gz WOCSJGFCQSMDJB-HNNXBMFYSA-N 1 1 304.434 3.546 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1OC ZINC000510228131 340293374 /nfs/dbraw/zinc/29/33/74/340293374.db2.gz KVJGPCDQTHKFKA-XYJFISCASA-N 1 1 303.446 3.795 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCc1cccc2ccccc21 ZINC000303138356 340304315 /nfs/dbraw/zinc/30/43/15/340304315.db2.gz PNEQVPVGEFGGFH-UHFFFAOYSA-N 1 1 324.468 3.739 20 30 DHEDMO C=CC[N@H+](Cc1cnc2cc(C)ccn12)Cc1ccc(OC)cc1 ZINC000510640708 340304658 /nfs/dbraw/zinc/30/46/58/340304658.db2.gz LSBBXQGWVLHDCV-UHFFFAOYSA-N 1 1 321.424 3.840 20 30 DHEDMO C=CC[N@@H+](Cc1cnc2cc(C)ccn12)Cc1ccc(OC)cc1 ZINC000510640708 340304659 /nfs/dbraw/zinc/30/46/59/340304659.db2.gz LSBBXQGWVLHDCV-UHFFFAOYSA-N 1 1 321.424 3.840 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000511480076 340328056 /nfs/dbraw/zinc/32/80/56/340328056.db2.gz SUMNFBOBBDAJOR-INIZCTEOSA-N 1 1 300.402 3.966 20 30 DHEDMO C=C(C)C[N@@H+](CCc1ccccc1F)Cc1ccc(CO)o1 ZINC000512179710 340351092 /nfs/dbraw/zinc/35/10/92/340351092.db2.gz MPDRSTNKFCXQHX-UHFFFAOYSA-N 1 1 303.377 3.532 20 30 DHEDMO C=C(C)C[N@H+](CCO[C@H]1CCCC[C@H]1C)Cc1ccc(CO)o1 ZINC000512197531 340351782 /nfs/dbraw/zinc/35/17/82/340351782.db2.gz RAVDCQJPVQMGNY-APWZRJJASA-N 1 1 321.461 3.745 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000512263400 340354649 /nfs/dbraw/zinc/35/46/49/340354649.db2.gz SJGWSPBKXLGATK-OAHLLOKOSA-N 1 1 319.408 3.722 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000303957411 340356272 /nfs/dbraw/zinc/35/62/72/340356272.db2.gz XXFZAWFBHZHZSO-INIZCTEOSA-N 1 1 324.424 3.509 20 30 DHEDMO CC(C)C[N@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000512610626 340368904 /nfs/dbraw/zinc/36/89/04/340368904.db2.gz CROXNOXLZAMMPV-RDJZCZTQSA-N 1 1 317.452 3.858 20 30 DHEDMO CC(C)CN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512610626 340368905 /nfs/dbraw/zinc/36/89/05/340368905.db2.gz CROXNOXLZAMMPV-RDJZCZTQSA-N 1 1 317.452 3.858 20 30 DHEDMO C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)[N@H+]1CCCC[C@@H]1C ZINC000512621557 340369561 /nfs/dbraw/zinc/36/95/61/340369561.db2.gz ZGWWLJLOGRTABJ-ZNMIVQPWSA-N 1 1 303.425 3.611 20 30 DHEDMO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)N1CCCC[C@@H]1C ZINC000512621557 340369562 /nfs/dbraw/zinc/36/95/62/340369562.db2.gz ZGWWLJLOGRTABJ-ZNMIVQPWSA-N 1 1 303.425 3.611 20 30 DHEDMO COC[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(F)cc1 ZINC000539379359 340883077 /nfs/dbraw/zinc/88/30/77/340883077.db2.gz QIIAWZXBDPSVHQ-SFHVURJKSA-N 1 1 317.791 3.808 20 30 DHEDMO CCc1ccc([C@@H](COC)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000539608505 340892268 /nfs/dbraw/zinc/89/22/68/340892268.db2.gz OPGAWSQPAGJRHH-SJKOYZFVSA-N 1 1 316.376 3.891 20 30 DHEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(OCc2cccnc2)cc1 ZINC000540589419 340936659 /nfs/dbraw/zinc/93/66/59/340936659.db2.gz WBNXTDNMYLCAGN-HNNXBMFYSA-N 1 1 307.397 3.615 20 30 DHEDMO C=CC[N@@H+](Cc1cc(Br)c(OC)s1)C1CC1 ZINC000542696035 341017594 /nfs/dbraw/zinc/01/75/94/341017594.db2.gz HBDHRRNWRSUHHN-UHFFFAOYSA-N 1 1 302.237 3.670 20 30 DHEDMO C=CC[N@H+](Cc1cc(Br)c(OC)s1)C1CC1 ZINC000542696035 341017595 /nfs/dbraw/zinc/01/75/95/341017595.db2.gz HBDHRRNWRSUHHN-UHFFFAOYSA-N 1 1 302.237 3.670 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1cnc2c(C)cc(Br)cn12 ZINC000543397578 341042078 /nfs/dbraw/zinc/04/20/78/341042078.db2.gz VROJURSSRBFZAB-UHFFFAOYSA-N 1 1 322.250 3.803 20 30 DHEDMO N#CCC1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000543778966 341058357 /nfs/dbraw/zinc/05/83/57/341058357.db2.gz AGAXHCGMORWPDE-UHFFFAOYSA-N 1 1 311.198 3.714 20 30 DHEDMO CC[NH+](CC)CCCC1CCN(Cc2ccccc2C#N)CC1 ZINC000543870712 341062176 /nfs/dbraw/zinc/06/21/76/341062176.db2.gz JVTZDIBYYIFSOQ-UHFFFAOYSA-N 1 1 313.489 3.892 20 30 DHEDMO COc1ccc2oc(C[N@@H+](C)Cc3ccc(C#N)cc3)cc2c1 ZINC000131208105 341065273 /nfs/dbraw/zinc/06/52/73/341065273.db2.gz ZZJJYJWGJOIWEN-UHFFFAOYSA-N 1 1 306.365 3.945 20 30 DHEDMO Cc1[nH+]c2cc(Nc3ncc(Cl)c(C)c3C#N)ccc2n1C ZINC000544068296 341069016 /nfs/dbraw/zinc/06/90/16/341069016.db2.gz JISJURWCCOHRHF-UHFFFAOYSA-N 1 1 311.776 3.854 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000544191243 341073949 /nfs/dbraw/zinc/07/39/49/341073949.db2.gz XITQJNAWGRENEF-SFHVURJKSA-N 1 1 306.409 3.865 20 30 DHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000073618347 341119314 /nfs/dbraw/zinc/11/93/14/341119314.db2.gz HLKXUKNLBLKAFF-DOMZBBRYSA-N 1 1 319.836 3.661 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000132473294 341123964 /nfs/dbraw/zinc/12/39/64/341123964.db2.gz VYHMXNXBSSRBKG-KRWDZBQOSA-N 1 1 309.384 3.675 20 30 DHEDMO CC(C)[C@@H](C[NH2+]Cc1cc(C#N)cs1)N1CCCCCC1 ZINC000236694372 341194845 /nfs/dbraw/zinc/19/48/45/341194845.db2.gz FPZRMFBRFMBGFC-QGZVFWFLSA-N 1 1 305.491 3.610 20 30 DHEDMO CN(C)CC[N@@H+](CCCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000564319250 341209911 /nfs/dbraw/zinc/20/99/11/341209911.db2.gz RNOMBADEMXUIRF-UHFFFAOYSA-N 1 1 321.468 3.555 20 30 DHEDMO C[NH+](C)CCN(CCCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000564319250 341209912 /nfs/dbraw/zinc/20/99/12/341209912.db2.gz RNOMBADEMXUIRF-UHFFFAOYSA-N 1 1 321.468 3.555 20 30 DHEDMO CCCO[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)CC1 ZINC000135063693 341230166 /nfs/dbraw/zinc/23/01/66/341230166.db2.gz LKHNYGPKPGCTQT-QGZVFWFLSA-N 1 1 305.849 3.973 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCC(C)(C)C#N ZINC000547841206 341236909 /nfs/dbraw/zinc/23/69/09/341236909.db2.gz DYZKIFXYXLOAKZ-JYJNAYRXSA-N 1 1 320.477 3.901 20 30 DHEDMO C[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000548636682 341268133 /nfs/dbraw/zinc/26/81/33/341268133.db2.gz IYFWCVYLZUASFK-ZDUSSCGKSA-N 1 1 323.371 3.519 20 30 DHEDMO C=CCN(Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000564355388 341270794 /nfs/dbraw/zinc/27/07/94/341270794.db2.gz JUDAUEGAFVJXSD-OAQYLSRUSA-N 1 1 306.453 3.949 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000564355388 341270796 /nfs/dbraw/zinc/27/07/96/341270796.db2.gz JUDAUEGAFVJXSD-OAQYLSRUSA-N 1 1 306.453 3.949 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000081014684 341278004 /nfs/dbraw/zinc/27/80/04/341278004.db2.gz DZCAJTXOFFMNBE-FQEVSTJZSA-N 1 1 305.425 3.659 20 30 DHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245425612 341292908 /nfs/dbraw/zinc/29/29/08/341292908.db2.gz KTNOTPKZMJKCLY-SPYBWZPUSA-N 1 1 319.408 3.578 20 30 DHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245425612 341292909 /nfs/dbraw/zinc/29/29/09/341292909.db2.gz KTNOTPKZMJKCLY-SPYBWZPUSA-N 1 1 319.408 3.578 20 30 DHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245425613 341292941 /nfs/dbraw/zinc/29/29/41/341292941.db2.gz KTNOTPKZMJKCLY-ZRGWGRIASA-N 1 1 319.408 3.578 20 30 DHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000245425613 341292942 /nfs/dbraw/zinc/29/29/42/341292942.db2.gz KTNOTPKZMJKCLY-ZRGWGRIASA-N 1 1 319.408 3.578 20 30 DHEDMO C=CCOCC[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000549545450 341296930 /nfs/dbraw/zinc/29/69/30/341296930.db2.gz TVZBTAOCJKVFRT-LLVKDONJSA-N 1 1 316.264 3.850 20 30 DHEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000549545450 341296931 /nfs/dbraw/zinc/29/69/31/341296931.db2.gz TVZBTAOCJKVFRT-LLVKDONJSA-N 1 1 316.264 3.850 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000550010374 341308736 /nfs/dbraw/zinc/30/87/36/341308736.db2.gz RUBWBVJHQLDDCE-GOSISDBHSA-N 1 1 312.800 3.865 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000247111325 341361063 /nfs/dbraw/zinc/36/10/63/341361063.db2.gz YATBHQZXYCFAQM-PXNSSMCTSA-N 1 1 311.473 3.645 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@@H](C)c1cccc2ccccc21)C1CC1 ZINC000552492953 341396193 /nfs/dbraw/zinc/39/61/93/341396193.db2.gz OFQURLRQHOYSKD-HNNXBMFYSA-N 1 1 308.425 3.667 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@@H](C)c1cccc2ccccc21)C1CC1 ZINC000552492953 341396194 /nfs/dbraw/zinc/39/61/94/341396194.db2.gz OFQURLRQHOYSKD-HNNXBMFYSA-N 1 1 308.425 3.667 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000576508682 341849868 /nfs/dbraw/zinc/84/98/68/341849868.db2.gz IHKXXLKZNSVPDD-DOMZBBRYSA-N 1 1 303.793 3.587 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NCCCn1cc[nH+]c1C ZINC000337598736 517329928 /nfs/dbraw/zinc/32/99/28/517329928.db2.gz LAYKXBQUUHULDD-UHFFFAOYSA-N 1 1 312.417 3.522 20 30 DHEDMO CC(C)[N@@H+](CCC(=O)Nc1sccc1C#N)C1CCCCC1 ZINC000102768819 519642077 /nfs/dbraw/zinc/64/20/77/519642077.db2.gz TUPABSLHSYCZOV-UHFFFAOYSA-N 1 1 319.474 3.991 20 30 DHEDMO CC(C)CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000158142204 519685573 /nfs/dbraw/zinc/68/55/73/519685573.db2.gz DYHWBBDGJWXWLZ-HNNXBMFYSA-N 1 1 319.474 3.849 20 30 DHEDMO CC(C)CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000158142204 519685575 /nfs/dbraw/zinc/68/55/75/519685575.db2.gz DYHWBBDGJWXWLZ-HNNXBMFYSA-N 1 1 319.474 3.849 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(CNc2snc(Cl)c2C#N)c1 ZINC000264959325 520259032 /nfs/dbraw/zinc/25/90/32/520259032.db2.gz WXMOVDIVAXJLSD-UHFFFAOYSA-N 1 1 320.849 3.732 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(CNc2ncc(C#N)cc2Cl)c1 ZINC000264975301 520259445 /nfs/dbraw/zinc/25/94/45/520259445.db2.gz ZSFCPSRCGUIHQB-UHFFFAOYSA-N 1 1 314.820 3.670 20 30 DHEDMO CCCO[C@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)CC1 ZINC000156306005 520284621 /nfs/dbraw/zinc/28/46/21/520284621.db2.gz VXCDLYZWPOUNIY-SFHVURJKSA-N 1 1 316.445 3.608 20 30 DHEDMO CCC[N@H+](Cc1nc2ccccc2n1C)Cc1ccc(C#N)cc1 ZINC000154886517 521694130 /nfs/dbraw/zinc/69/41/30/521694130.db2.gz DUPMNYREPSHLQR-UHFFFAOYSA-N 1 1 318.424 3.857 20 30 DHEDMO CCC[N@@H+](Cc1nc2ccccc2n1C)Cc1ccc(C#N)cc1 ZINC000154886517 521694133 /nfs/dbraw/zinc/69/41/33/521694133.db2.gz DUPMNYREPSHLQR-UHFFFAOYSA-N 1 1 318.424 3.857 20 30 DHEDMO COc1cc2c(cc1OC)C[N@@H+]([C@@H](C)c1cccc(C#N)c1)CC2 ZINC000189346102 523032852 /nfs/dbraw/zinc/03/28/52/523032852.db2.gz HVOPSXOXVFUCIS-AWEZNQCLSA-N 1 1 322.408 3.695 20 30 DHEDMO COc1cc2c(cc1OC)C[N@H+]([C@@H](C)c1cccc(C#N)c1)CC2 ZINC000189346102 523032863 /nfs/dbraw/zinc/03/28/63/523032863.db2.gz HVOPSXOXVFUCIS-AWEZNQCLSA-N 1 1 322.408 3.695 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000157180156 523522139 /nfs/dbraw/zinc/52/21/39/523522139.db2.gz VDUGQUVELBJUBD-SFHVURJKSA-N 1 1 307.397 3.607 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000157180156 523522155 /nfs/dbraw/zinc/52/21/55/523522155.db2.gz VDUGQUVELBJUBD-SFHVURJKSA-N 1 1 307.397 3.607 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NCc3cc(C#N)n(C)c3)cc2)C1 ZINC000190820245 524236092 /nfs/dbraw/zinc/23/60/92/524236092.db2.gz AHEFPGVRQIWTFQ-MRXNPFEDSA-N 1 1 322.456 3.741 20 30 DHEDMO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1OC ZINC000179939656 524333173 /nfs/dbraw/zinc/33/31/73/524333173.db2.gz HLXXCDVFGFJZET-LBPRGKRZSA-N 1 1 314.360 3.565 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)o2)cc1 ZINC000173480270 526584469 /nfs/dbraw/zinc/58/44/69/526584469.db2.gz YSDHMOOFQIOGON-RDJZCZTQSA-N 1 1 322.412 3.763 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)s1 ZINC000131186838 526615247 /nfs/dbraw/zinc/61/52/47/526615247.db2.gz XHBVLBQZORKJAQ-MRXNPFEDSA-N 1 1 312.438 3.658 20 30 DHEDMO CC(C)(C)Oc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cn1 ZINC000272177359 535007975 /nfs/dbraw/zinc/00/79/75/535007975.db2.gz JQRKJQVUVYRNBG-UHFFFAOYSA-N 1 1 313.376 3.559 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000155139816 1013236195 /nfs/dbraw/zinc/23/61/95/1013236195.db2.gz AWFHIBKKVOSZPD-LBPRGKRZSA-N 1 1 312.360 3.513 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccsc2)cc1OC ZINC000120474772 1013269470 /nfs/dbraw/zinc/26/94/70/1013269470.db2.gz KVIBDJLLZSJAQO-UHFFFAOYSA-N 1 1 303.427 3.954 20 30 DHEDMO C=CCCCCCC[N@H+]1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001209432128 1013274088 /nfs/dbraw/zinc/27/40/88/1013274088.db2.gz ZFQNHGZAEJGEBL-ZIAGYGMSSA-N 1 1 311.363 3.850 20 30 DHEDMO C=CCC[C@@H](C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000275316505 1013329999 /nfs/dbraw/zinc/32/99/99/1013329999.db2.gz KLVCHWNNYZBLMX-QFBILLFUSA-N 1 1 312.457 3.503 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000065433307 1013455476 /nfs/dbraw/zinc/45/54/76/1013455476.db2.gz YGVQZNWCLCUTSS-OAHLLOKOSA-N 1 1 306.425 3.633 20 30 DHEDMO CC(C)n1cc(C2=CCC[N@H+]([C@H](C)CC(C)(C)C#N)CC2)nn1 ZINC000894710117 1013465902 /nfs/dbraw/zinc/46/59/02/1013465902.db2.gz ALPYNWSSEDJBLU-OAHLLOKOSA-N 1 1 315.465 3.667 20 30 DHEDMO CCN(CC#N)C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001167268197 1013486066 /nfs/dbraw/zinc/48/60/66/1013486066.db2.gz WMSQELLIGACOSH-OAQYLSRUSA-N 1 1 321.468 3.748 20 30 DHEDMO COc1ccc2c(c1)C[N@@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC001167273370 1013488288 /nfs/dbraw/zinc/48/82/88/1013488288.db2.gz DHIXOACMOYVXHS-UHFFFAOYSA-N 1 1 311.812 3.758 20 30 DHEDMO COc1ccc2c(c1)C[N@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC001167273370 1013488293 /nfs/dbraw/zinc/48/82/93/1013488293.db2.gz DHIXOACMOYVXHS-UHFFFAOYSA-N 1 1 311.812 3.758 20 30 DHEDMO CC1([N@@H+](CCCC#N)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000353660991 1013509399 /nfs/dbraw/zinc/50/93/99/1013509399.db2.gz VUEUJNCCVDGFBA-UHFFFAOYSA-N 1 1 300.402 3.854 20 30 DHEDMO COc1c(Br)cccc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001140155196 1013557158 /nfs/dbraw/zinc/55/71/58/1013557158.db2.gz PBULJJRILIEZGL-LBPRGKRZSA-N 1 1 323.234 3.583 20 30 DHEDMO COc1c(Br)cccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001140155196 1013557161 /nfs/dbraw/zinc/55/71/61/1013557161.db2.gz PBULJJRILIEZGL-LBPRGKRZSA-N 1 1 323.234 3.583 20 30 DHEDMO CC[NH+](CC)[C@H](CNCc1ccc(C#N)s1)c1ccccc1 ZINC000176940678 1013685190 /nfs/dbraw/zinc/68/51/90/1013685190.db2.gz DLROEPTWHKMSSG-GOSISDBHSA-N 1 1 313.470 3.792 20 30 DHEDMO Cc1ccnc(NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1C#N ZINC000343517259 1013724663 /nfs/dbraw/zinc/72/46/63/1013724663.db2.gz WVOVMJINHVEDBY-UHFFFAOYSA-N 1 1 308.429 3.584 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC000894920241 1013741102 /nfs/dbraw/zinc/74/11/02/1013741102.db2.gz OWUDQKXVNFMECK-IBGZPJMESA-N 1 1 312.457 3.812 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1C[C@@]1(C)Br ZINC000895018932 1013778036 /nfs/dbraw/zinc/77/80/36/1013778036.db2.gz VJZIAAKYJZTPSZ-KCPJHIHWSA-N 1 1 307.235 3.725 20 30 DHEDMO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328686781 1013792965 /nfs/dbraw/zinc/79/29/65/1013792965.db2.gz GMVMYBTUKGMYAD-CVEARBPZSA-N 1 1 312.417 3.505 20 30 DHEDMO Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328686781 1013792973 /nfs/dbraw/zinc/79/29/73/1013792973.db2.gz GMVMYBTUKGMYAD-CVEARBPZSA-N 1 1 312.417 3.505 20 30 DHEDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328679072 1013793111 /nfs/dbraw/zinc/79/31/11/1013793111.db2.gz TVCGWUQFRAILLM-HZPDHXFCSA-N 1 1 323.481 3.600 20 30 DHEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1coc(C2CCCCC2)n1 ZINC000328728922 1013797184 /nfs/dbraw/zinc/79/71/84/1013797184.db2.gz FETMGESDYXVKMG-CQSZACIVSA-N 1 1 305.422 3.511 20 30 DHEDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cn(C)nc1C1CCCCC1 ZINC000330888977 1013845214 /nfs/dbraw/zinc/84/52/14/1013845214.db2.gz AVFMXBLCXQNUCR-AWEZNQCLSA-N 1 1 320.481 3.501 20 30 DHEDMO CC[C@H](C)n1ncc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1C ZINC000330957424 1013849157 /nfs/dbraw/zinc/84/91/57/1013849157.db2.gz IFHRKOUFQWWUQB-AWEZNQCLSA-N 1 1 320.481 3.589 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(C#N)s2)C1 ZINC000579137641 1013902905 /nfs/dbraw/zinc/90/29/05/1013902905.db2.gz HBRXZYPOEAMNJX-PILAGYSTSA-N 1 1 318.486 3.771 20 30 DHEDMO C=C[C@@](C)(CC)c1nc(CCCCn2c[nH+]c(C)c2C)no1 ZINC000656037886 1013941968 /nfs/dbraw/zinc/94/19/68/1013941968.db2.gz NBVSMJCIEHUHAU-KRWDZBQOSA-N 1 1 302.422 3.760 20 30 DHEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000610369638 1013998455 /nfs/dbraw/zinc/99/84/55/1013998455.db2.gz KSMCZYYXANOLQQ-MRXNPFEDSA-N 1 1 324.428 3.866 20 30 DHEDMO N#Cc1cccc(NC(=O)CC[N@@H+](C2CC2)C2CCCCC2)c1 ZINC000610389933 1014044331 /nfs/dbraw/zinc/04/43/31/1014044331.db2.gz WOFDRCVNANRQCZ-UHFFFAOYSA-N 1 1 311.429 3.684 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)cc1F ZINC000616752279 1014061946 /nfs/dbraw/zinc/06/19/46/1014061946.db2.gz RKXLOUGIMUZAPA-IBGZPJMESA-N 1 1 310.372 3.661 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000610433502 1014095571 /nfs/dbraw/zinc/09/55/71/1014095571.db2.gz OQFRWPYLEGNBGV-DYESRHJHSA-N 1 1 319.452 3.826 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000610433502 1014095574 /nfs/dbraw/zinc/09/55/74/1014095574.db2.gz OQFRWPYLEGNBGV-DYESRHJHSA-N 1 1 319.452 3.826 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000610433502 1014095577 /nfs/dbraw/zinc/09/55/77/1014095577.db2.gz OQFRWPYLEGNBGV-DYESRHJHSA-N 1 1 319.452 3.826 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCc3nc(C4CC4)ncc3C2)CCC1 ZINC000931259689 1032085312 /nfs/dbraw/zinc/08/53/12/1032085312.db2.gz PWSSYNPSZOHXAU-UHFFFAOYSA-N 1 1 310.445 3.576 20 30 DHEDMO CC(C)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000311223375 1014210627 /nfs/dbraw/zinc/21/06/27/1014210627.db2.gz VYMNKAWTZHOKKM-GFCCVEGCSA-N 1 1 307.235 3.799 20 30 DHEDMO CC(C)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000311223375 1014210634 /nfs/dbraw/zinc/21/06/34/1014210634.db2.gz VYMNKAWTZHOKKM-GFCCVEGCSA-N 1 1 307.235 3.799 20 30 DHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@H](C(C)C)CC2)c1C#N ZINC001167424468 1014257782 /nfs/dbraw/zinc/25/77/82/1014257782.db2.gz JZOOJHFRHPREHW-HNNXBMFYSA-N 1 1 314.429 3.603 20 30 DHEDMO C#CCOc1ccccc1C[NH2+]Cc1cc(Cl)ccc1OC ZINC000126811868 1014258722 /nfs/dbraw/zinc/25/87/22/1014258722.db2.gz YVRSGTXHMPHKIG-UHFFFAOYSA-N 1 1 315.800 3.650 20 30 DHEDMO C=CCC[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000132418381 1014264939 /nfs/dbraw/zinc/26/49/39/1014264939.db2.gz JKXSMJFEHHPLDY-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000057847997 1014281864 /nfs/dbraw/zinc/28/18/64/1014281864.db2.gz PSRQHRHBXJWPNU-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000057847997 1014281873 /nfs/dbraw/zinc/28/18/73/1014281873.db2.gz PSRQHRHBXJWPNU-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccccn1)Cc1ccccc1C ZINC000565775784 1014325652 /nfs/dbraw/zinc/32/56/52/1014325652.db2.gz ABEYHUPGMQJHTE-FQEVSTJZSA-N 1 1 310.441 3.719 20 30 DHEDMO Cc1ccc(C[N@H+](C)Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC000160638557 1014348719 /nfs/dbraw/zinc/34/87/19/1014348719.db2.gz XHJSDCGHKNEXTK-UHFFFAOYSA-N 1 1 307.441 3.977 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)nc1 ZINC000574700479 1014364565 /nfs/dbraw/zinc/36/45/65/1014364565.db2.gz ATOIWIVANQFGDN-FNLKRUPLSA-N 1 1 303.409 3.864 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccc(O)cc2)cc1OC ZINC000349354885 1014406192 /nfs/dbraw/zinc/40/61/92/1014406192.db2.gz UPFZQKXAJFIRAL-UHFFFAOYSA-N 1 1 313.397 3.598 20 30 DHEDMO C[C@@H](O[NH+]=C(N)C1CCCCCC1)c1nc(C(C)(C)C)no1 ZINC000179003256 1014433399 /nfs/dbraw/zinc/43/33/99/1014433399.db2.gz YALJYVRKQPOAKN-LLVKDONJSA-N 1 1 308.426 3.687 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000568951262 1014437436 /nfs/dbraw/zinc/43/74/36/1014437436.db2.gz OHJYUKULRBLPTE-ZDUSSCGKSA-N 1 1 315.383 3.975 20 30 DHEDMO Cc1cnc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000580945099 1014471490 /nfs/dbraw/zinc/47/14/90/1014471490.db2.gz WXKDGIHUMSDRSU-UHFFFAOYSA-N 1 1 311.332 3.632 20 30 DHEDMO COc1ccc(C[N@H+](Cc2cccc(O)c2)CC2CC2)cc1C#N ZINC000135076775 1014481347 /nfs/dbraw/zinc/48/13/47/1014481347.db2.gz FVEQSOBVKYFVJN-UHFFFAOYSA-N 1 1 322.408 3.685 20 30 DHEDMO C=CCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000521341424 1014691378 /nfs/dbraw/zinc/69/13/78/1014691378.db2.gz YDVGQGXKLQLTNT-QGZVFWFLSA-N 1 1 320.864 3.777 20 30 DHEDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(C#N)c(OC)c2)cc1 ZINC000442816593 1014744008 /nfs/dbraw/zinc/74/40/08/1014744008.db2.gz XWTYQULZVIZRSU-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO COc1cc(C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)ccc1C#N ZINC000442883029 1014759677 /nfs/dbraw/zinc/75/96/77/1014759677.db2.gz GHLRGPYKDZJIDC-HNAYVOBHSA-N 1 1 306.409 3.945 20 30 DHEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)Cc1c[nH]c2ccccc12 ZINC000442896704 1014757585 /nfs/dbraw/zinc/75/75/85/1014757585.db2.gz XFEIKZBCJDBKSW-UHFFFAOYSA-N 1 1 319.408 3.940 20 30 DHEDMO COc1cc(C[N@H+]2CCCC[C@H]2c2cccn2C)ccc1C#N ZINC000442884095 1014759870 /nfs/dbraw/zinc/75/98/70/1014759870.db2.gz WVDNXUIQBDBREF-SFHVURJKSA-N 1 1 309.413 3.633 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)c(OC)c2)cc1C ZINC000442884223 1014760147 /nfs/dbraw/zinc/76/01/47/1014760147.db2.gz JRKDHDPHFIBTNI-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO COc1ccc2c(c1OC)CC[N@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC000442903759 1014769755 /nfs/dbraw/zinc/76/97/55/1014769755.db2.gz UCEPELKZCZTZSS-CQSZACIVSA-N 1 1 322.408 3.695 20 30 DHEDMO COc1ccc2c(c1OC)CC[N@@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC000442903759 1014769765 /nfs/dbraw/zinc/76/97/65/1014769765.db2.gz UCEPELKZCZTZSS-CQSZACIVSA-N 1 1 322.408 3.695 20 30 DHEDMO CC(C)c1ccc(C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000177986168 1014770591 /nfs/dbraw/zinc/77/05/91/1014770591.db2.gz UAIKFHCQQJFVGU-FQEVSTJZSA-N 1 1 308.425 3.847 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000443064604 1014797568 /nfs/dbraw/zinc/79/75/68/1014797568.db2.gz CNBVDOOKKZFBEV-GJYPPUQNSA-N 1 1 304.478 3.986 20 30 DHEDMO COCC[N@@H+](CCOc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC000521859737 1014819058 /nfs/dbraw/zinc/81/90/58/1014819058.db2.gz PWJYWXPMRPTERT-QGZVFWFLSA-N 1 1 324.424 3.647 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c1 ZINC000521942135 1014843833 /nfs/dbraw/zinc/84/38/33/1014843833.db2.gz YEEFUBHWNXXRSZ-WMZOPIPTSA-N 1 1 303.446 3.767 20 30 DHEDMO C[C@H]1CC([NH2+]CC(C)(C)S)C[C@H](C)N1Cc1ccccc1 ZINC001168019712 1014954376 /nfs/dbraw/zinc/95/43/76/1014954376.db2.gz JMZXJZSLVJKDIB-GJZGRUSLSA-N 1 1 306.519 3.726 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000276362890 1015006500 /nfs/dbraw/zinc/00/65/00/1015006500.db2.gz FZSBWMCCODLSIG-UHFFFAOYSA-N 1 1 315.442 3.565 20 30 DHEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000157239836 1015008391 /nfs/dbraw/zinc/00/83/91/1015008391.db2.gz KAYYNEQXYPCQQL-WBMJQRKESA-N 1 1 317.433 3.607 20 30 DHEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000157240273 1015009461 /nfs/dbraw/zinc/00/94/61/1015009461.db2.gz KAYYNEQXYPCQQL-BLLLJJGKSA-N 1 1 317.433 3.607 20 30 DHEDMO C=CCCn1cc(C[NH2+][C@H](C)c2ccccc2C(F)(F)F)nn1 ZINC000846844326 1032108325 /nfs/dbraw/zinc/10/83/25/1032108325.db2.gz ATIQCHKIGKGIOM-GFCCVEGCSA-N 1 1 324.350 3.724 20 30 DHEDMO C=CC[N@H+](CCOc1cccc(OC)c1)Cc1cccc(C#N)c1 ZINC000443627126 1015040708 /nfs/dbraw/zinc/04/07/08/1015040708.db2.gz XJMXEQFJVAKVHQ-UHFFFAOYSA-N 1 1 322.408 3.634 20 30 DHEDMO Cc1ccc(C[N@@H+](C)CCCOc2cccc(C#N)c2)s1 ZINC000477132580 1015089290 /nfs/dbraw/zinc/08/92/90/1015089290.db2.gz BLTHWLWTGGLCRE-UHFFFAOYSA-N 1 1 300.427 3.829 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](Cc1cc(OC)ccc1OC)C(C)(C)C ZINC000474156234 1015121489 /nfs/dbraw/zinc/12/14/89/1015121489.db2.gz DMPGRRABXGWCNY-MRXNPFEDSA-N 1 1 321.461 3.631 20 30 DHEDMO C=CCCn1cc(C[NH2+][C@H](C)c2csc3ccccc23)nn1 ZINC000846855544 1032113585 /nfs/dbraw/zinc/11/35/85/1032113585.db2.gz YFKUBPBDLBFVMK-CYBMUJFWSA-N 1 1 312.442 3.920 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000078575957 1015253228 /nfs/dbraw/zinc/25/32/28/1015253228.db2.gz RKAGYQSZDOZZMD-UHFFFAOYSA-N 1 1 309.413 3.636 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000078575957 1015253236 /nfs/dbraw/zinc/25/32/36/1015253236.db2.gz RKAGYQSZDOZZMD-UHFFFAOYSA-N 1 1 309.413 3.636 20 30 DHEDMO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000895781579 1015305557 /nfs/dbraw/zinc/30/55/57/1015305557.db2.gz ZOACIJPROZPVHD-SOLBZPMBSA-N 1 1 304.478 3.597 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1OC(C)C ZINC000127295581 1015326347 /nfs/dbraw/zinc/32/63/47/1015326347.db2.gz UHMMNABGLCQVEQ-UHFFFAOYSA-N 1 1 324.424 3.986 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3OC)C2)cc1 ZINC000157937269 1015329838 /nfs/dbraw/zinc/32/98/38/1015329838.db2.gz HPPYNGFJTSZITC-QGZVFWFLSA-N 1 1 322.408 3.565 20 30 DHEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000581848458 1015372772 /nfs/dbraw/zinc/37/27/72/1015372772.db2.gz YOECWHLZNPXSTO-HNNXBMFYSA-N 1 1 312.388 3.907 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)cs1 ZINC000896036919 1015424931 /nfs/dbraw/zinc/42/49/31/1015424931.db2.gz YRLWBMJBAOVWSE-INIZCTEOSA-N 1 1 304.459 3.648 20 30 DHEDMO N#CCc1ccc(C[NH2+]Cc2ccsc2Br)cc1 ZINC000399048371 1015451932 /nfs/dbraw/zinc/45/19/32/1015451932.db2.gz VPUOMBBXUJYTGL-UHFFFAOYSA-N 1 1 321.243 3.866 20 30 DHEDMO CCC[N@@H+](Cc1cn(C)nc1C1CC1)Cc1ccc(C#N)cc1 ZINC000891653671 1015488478 /nfs/dbraw/zinc/48/84/78/1015488478.db2.gz UNDCFLXDWWSQET-UHFFFAOYSA-N 1 1 308.429 3.581 20 30 DHEDMO CCC[N@@H+](Cc1cnn(C)c1C1CC1)Cc1ccc(C#N)cc1 ZINC000891652289 1015490321 /nfs/dbraw/zinc/49/03/21/1015490321.db2.gz IBYWOIHXGCUISJ-UHFFFAOYSA-N 1 1 308.429 3.581 20 30 DHEDMO CC[N@H+](Cc1ccnc(OC)c1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000891654574 1015490530 /nfs/dbraw/zinc/49/05/30/1015490530.db2.gz AWEXRHKFTAOLBS-ZDUSSCGKSA-N 1 1 313.376 3.684 20 30 DHEDMO CC[N@@H+](Cc1ccnc(OC)c1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000891654574 1015490540 /nfs/dbraw/zinc/49/05/40/1015490540.db2.gz AWEXRHKFTAOLBS-ZDUSSCGKSA-N 1 1 313.376 3.684 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1 ZINC000896233159 1015516137 /nfs/dbraw/zinc/51/61/37/1015516137.db2.gz SXXYNQBKXBCOHH-BSIFCXSSSA-N 1 1 318.420 3.751 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000187594110 1015544538 /nfs/dbraw/zinc/54/45/38/1015544538.db2.gz WSDKIDMHUILBSF-LBPRGKRZSA-N 1 1 304.365 3.887 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCSC3(CCCCC3)C2)c1 ZINC000430763067 1015612031 /nfs/dbraw/zinc/61/20/31/1015612031.db2.gz OPFURVSJGDXHIB-UHFFFAOYSA-N 1 1 304.434 3.949 20 30 DHEDMO CCOc1ccc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)nc1 ZINC000610585277 1015645399 /nfs/dbraw/zinc/64/53/99/1015645399.db2.gz JALRXPKNHFHKFY-OAHLLOKOSA-N 1 1 309.413 3.935 20 30 DHEDMO C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2C#N)[C@H]1C ZINC001141901399 1015647711 /nfs/dbraw/zinc/64/77/11/1015647711.db2.gz VBUDSUPEOVVACQ-NEPJUHHUSA-N 1 1 307.235 3.941 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2C#N)[C@H]1C ZINC001141901399 1015647718 /nfs/dbraw/zinc/64/77/18/1015647718.db2.gz VBUDSUPEOVVACQ-NEPJUHHUSA-N 1 1 307.235 3.941 20 30 DHEDMO CC(C)(C)OCCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000610682250 1015708098 /nfs/dbraw/zinc/70/80/98/1015708098.db2.gz IJGMEJBRRJBOLA-QZTJIDSGSA-N 1 1 300.446 3.963 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276871231 1015721099 /nfs/dbraw/zinc/72/10/99/1015721099.db2.gz DSTXUTVYAWKOBV-XKGZKEIXSA-N 1 1 314.473 3.616 20 30 DHEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ncn(C2CCCCC2)n1 ZINC000329515472 1015726060 /nfs/dbraw/zinc/72/60/60/1015726060.db2.gz ONMYIYMWBYSVCV-AWEZNQCLSA-N 1 1 319.453 3.636 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCS[C@H](c3ccccc3)C2)ccc1F ZINC000610719832 1015745340 /nfs/dbraw/zinc/74/53/40/1015745340.db2.gz OQXPJTOAUXUYJL-SFHVURJKSA-N 1 1 312.413 3.987 20 30 DHEDMO N#Cc1cccc(C[NH2+]Cc2c(F)cccc2Br)c1 ZINC000192468506 1015759804 /nfs/dbraw/zinc/75/98/04/1015759804.db2.gz SLDURFYEKRGICR-UHFFFAOYSA-N 1 1 319.177 3.750 20 30 DHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000247549072 1015779810 /nfs/dbraw/zinc/77/98/10/1015779810.db2.gz PTBZCISXSDHCHE-XOKHGSTOSA-N 1 1 322.412 3.761 20 30 DHEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000610787174 1015786060 /nfs/dbraw/zinc/78/60/60/1015786060.db2.gz FRDRZDWYALVZBT-HXUWFJFHSA-N 1 1 322.408 3.870 20 30 DHEDMO CC[N@@H+](C[C@H](O)C1CCCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000475047401 1015802023 /nfs/dbraw/zinc/80/20/23/1015802023.db2.gz MNLSWZKMCLXBNO-BEFAXECRSA-N 1 1 300.446 3.882 20 30 DHEDMO C=C1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000341980389 1015860947 /nfs/dbraw/zinc/86/09/47/1015860947.db2.gz GWXAICMEONDRST-KGLIPLIRSA-N 1 1 306.837 3.558 20 30 DHEDMO C=C1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000341993446 1015865905 /nfs/dbraw/zinc/86/59/05/1015865905.db2.gz DEKZVJKYRTVTKB-AWEZNQCLSA-N 1 1 306.837 3.511 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)c2ccccc2)cc1F ZINC000361861017 1032132075 /nfs/dbraw/zinc/13/20/75/1032132075.db2.gz UBHPEOFEJZJISR-GOSISDBHSA-N 1 1 322.383 3.935 20 30 DHEDMO Cc1ccc(C)c(OC2CC[NH+](Cc3ccnc(C#N)c3)CC2)c1 ZINC000610991593 1015990898 /nfs/dbraw/zinc/99/08/98/1015990898.db2.gz NXWBUIYDOKKRFQ-UHFFFAOYSA-N 1 1 321.424 3.614 20 30 DHEDMO CC[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000610993717 1015999209 /nfs/dbraw/zinc/99/92/09/1015999209.db2.gz DFNWSNRTWHVWBY-YLJYHZDGSA-N 1 1 305.425 3.969 20 30 DHEDMO COc1ccc(C[N@H+]2CCS[C@H](c3ccccc3)C2)cc1C#N ZINC000610993101 1016006059 /nfs/dbraw/zinc/00/60/59/1016006059.db2.gz DEFUPDDDIKOFHL-IBGZPJMESA-N 1 1 324.449 3.857 20 30 DHEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000878384258 1033683866 /nfs/dbraw/zinc/68/38/66/1033683866.db2.gz AVSLCISGLGMDGI-NVXWUHKLSA-N 1 1 300.446 3.540 20 30 DHEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000450676134 1016285676 /nfs/dbraw/zinc/28/56/76/1016285676.db2.gz PQRKHBDIFSZLEH-GFCCVEGCSA-N 1 1 312.335 3.972 20 30 DHEDMO COc1c(C)cc(C[N@@H+](C)Cc2ccc(C#N)s2)cc1C ZINC000127450340 1016287925 /nfs/dbraw/zinc/28/79/25/1016287925.db2.gz UKYQJKASTFUOFT-UHFFFAOYSA-N 1 1 300.427 3.877 20 30 DHEDMO COc1cccc([C@H](O)C[N@@H+](CCCC#N)Cc2ccccc2)c1 ZINC000157898099 1016344098 /nfs/dbraw/zinc/34/40/98/1016344098.db2.gz SOYVGZJKLGBEDZ-HXUWFJFHSA-N 1 1 324.424 3.535 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@@H](C)[C@@H]2CC)c1=S ZINC000184974980 1016486219 /nfs/dbraw/zinc/48/62/19/1016486219.db2.gz NCYFNGAEPWDADD-OCCSQVGLSA-N 1 1 306.479 3.555 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@@H](C)[C@@H]2CC)c1=S ZINC000184974980 1016486223 /nfs/dbraw/zinc/48/62/23/1016486223.db2.gz NCYFNGAEPWDADD-OCCSQVGLSA-N 1 1 306.479 3.555 20 30 DHEDMO N#Cc1ccc(CN2C[C@@H]3CCC[N@H+]3Cc3ccccc32)c(F)c1 ZINC000342517873 1016657531 /nfs/dbraw/zinc/65/75/31/1016657531.db2.gz LCRUKAYCCOKLAS-SFHVURJKSA-N 1 1 321.399 3.682 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000347061042 1016718082 /nfs/dbraw/zinc/71/80/82/1016718082.db2.gz WCSBPEBVFWQTED-KRWDZBQOSA-N 1 1 308.853 3.505 20 30 DHEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2ccco2)cc1 ZINC000121224413 1016760220 /nfs/dbraw/zinc/76/02/20/1016760220.db2.gz VQNAEEXAHKUTDY-QGZVFWFLSA-N 1 1 323.396 3.707 20 30 DHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCCCC[C@@H]2c2ccco2)cc1 ZINC000121224413 1016760228 /nfs/dbraw/zinc/76/02/28/1016760228.db2.gz VQNAEEXAHKUTDY-QGZVFWFLSA-N 1 1 323.396 3.707 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1OC)[C@H](C)c1ccccc1 ZINC000347250649 1016820235 /nfs/dbraw/zinc/82/02/35/1016820235.db2.gz GVMXGKCHFNHWIU-MRXNPFEDSA-N 1 1 324.424 3.776 20 30 DHEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185421051 1016908570 /nfs/dbraw/zinc/90/85/70/1016908570.db2.gz MDYYGTZHFZCTMH-CYBMUJFWSA-N 1 1 301.361 3.947 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000186162391 1017020432 /nfs/dbraw/zinc/02/04/32/1017020432.db2.gz CRPHVTCJLSLXKL-UHFFFAOYSA-N 1 1 304.393 3.862 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000523006446 1017026598 /nfs/dbraw/zinc/02/65/98/1017026598.db2.gz CQXBEMPIPZGZCP-HNNXBMFYSA-N 1 1 312.363 3.901 20 30 DHEDMO Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2C)c1C ZINC000186166222 1017035147 /nfs/dbraw/zinc/03/51/47/1017035147.db2.gz LBFHBDIOXCQAIN-UHFFFAOYSA-N 1 1 321.424 3.554 20 30 DHEDMO Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2C)c1C ZINC000186166222 1017035156 /nfs/dbraw/zinc/03/51/56/1017035156.db2.gz LBFHBDIOXCQAIN-UHFFFAOYSA-N 1 1 321.424 3.554 20 30 DHEDMO N#Cc1cccc(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000121259635 1017042673 /nfs/dbraw/zinc/04/26/73/1017042673.db2.gz HFFIBYJQIMCODQ-KRWDZBQOSA-N 1 1 323.396 3.707 20 30 DHEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000121259635 1017042677 /nfs/dbraw/zinc/04/26/77/1017042677.db2.gz HFFIBYJQIMCODQ-KRWDZBQOSA-N 1 1 323.396 3.707 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000523008297 1017055011 /nfs/dbraw/zinc/05/50/11/1017055011.db2.gz OHJSKHRTEPDKSX-INIZCTEOSA-N 1 1 308.853 3.805 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000523008298 1017052963 /nfs/dbraw/zinc/05/29/63/1017052963.db2.gz OHJSKHRTEPDKSX-MRXNPFEDSA-N 1 1 308.853 3.805 20 30 DHEDMO C#CC[N@H+](Cc1cc(Br)cc2cccnc21)C1CC1 ZINC000763955282 1017068456 /nfs/dbraw/zinc/06/84/56/1017068456.db2.gz LLPGYMANRFKEPP-UHFFFAOYSA-N 1 1 315.214 3.595 20 30 DHEDMO CCC[N@H+](CC(=O)[C@@H](C#N)c1nc2ccccc2s1)C(C)C ZINC000847025961 1032182028 /nfs/dbraw/zinc/18/20/28/1032182028.db2.gz KOYYFLBWOPOHJE-CYBMUJFWSA-N 1 1 315.442 3.593 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000847017813 1032179667 /nfs/dbraw/zinc/17/96/67/1032179667.db2.gz FCPQYFLPBOACHS-MRXNPFEDSA-N 1 1 310.466 3.774 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC000847017813 1032179681 /nfs/dbraw/zinc/17/96/81/1032179681.db2.gz FCPQYFLPBOACHS-MRXNPFEDSA-N 1 1 310.466 3.774 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000847023110 1032181475 /nfs/dbraw/zinc/18/14/75/1032181475.db2.gz KYEBZZVDWQVNPQ-IAGOWNOFSA-N 1 1 312.457 3.791 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000847023110 1032181485 /nfs/dbraw/zinc/18/14/85/1032181485.db2.gz KYEBZZVDWQVNPQ-IAGOWNOFSA-N 1 1 312.457 3.791 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000847021024 1032182510 /nfs/dbraw/zinc/18/25/10/1032182510.db2.gz HPMOBWOECZHWPG-LBPRGKRZSA-N 1 1 318.392 3.934 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000847021024 1032182514 /nfs/dbraw/zinc/18/25/14/1032182514.db2.gz HPMOBWOECZHWPG-LBPRGKRZSA-N 1 1 318.392 3.934 20 30 DHEDMO N#Cc1ccc(C2([NH2+]Cc3ccc(F)cc3C#N)CCC2)cc1 ZINC000847054602 1032196781 /nfs/dbraw/zinc/19/67/81/1032196781.db2.gz SRSQWOQQIBMOKG-UHFFFAOYSA-N 1 1 305.356 3.738 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCOC2)cc1Cl ZINC000119707854 1032313288 /nfs/dbraw/zinc/31/32/88/1032313288.db2.gz KPFLOTNXBQYDRO-HNNXBMFYSA-N 1 1 309.837 3.763 20 30 DHEDMO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000537626147 1032351545 /nfs/dbraw/zinc/35/15/45/1032351545.db2.gz GAZZKGISLVSINO-MSOLQXFVSA-N 1 1 322.456 3.979 20 30 DHEDMO CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000537626147 1032351552 /nfs/dbraw/zinc/35/15/52/1032351552.db2.gz GAZZKGISLVSINO-MSOLQXFVSA-N 1 1 322.456 3.979 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC[C@H]2C[C@@](C)(O)C2)cc1 ZINC001168344081 1032440070 /nfs/dbraw/zinc/44/00/70/1032440070.db2.gz KDGJFUIKEVSWGM-LZQZEXGQSA-N 1 1 300.446 3.582 20 30 DHEDMO C[N@H+](CCOCc1ccccc1)Cc1ccc(C#N)cc1Cl ZINC000384311407 1017283712 /nfs/dbraw/zinc/28/37/12/1017283712.db2.gz LPQXTYHIXHSYDD-UHFFFAOYSA-N 1 1 314.816 3.860 20 30 DHEDMO C[N@@H+](CCOCc1ccccc1)Cc1ccc(C#N)cc1Cl ZINC000384311407 1017283716 /nfs/dbraw/zinc/28/37/16/1017283716.db2.gz LPQXTYHIXHSYDD-UHFFFAOYSA-N 1 1 314.816 3.860 20 30 DHEDMO CC(C)(CCC#N)CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000092187351 1032481176 /nfs/dbraw/zinc/48/11/76/1032481176.db2.gz CKQOKELMZAUZSR-UHFFFAOYSA-N 1 1 305.510 3.904 20 30 DHEDMO CC(C)(CCC#N)C[N@@H+]1CCCN(CC2CCCCC2)CC1 ZINC000092187351 1032481181 /nfs/dbraw/zinc/48/11/81/1032481181.db2.gz CKQOKELMZAUZSR-UHFFFAOYSA-N 1 1 305.510 3.904 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCCN(CC2CCCCC2)CC1 ZINC000092187351 1032481185 /nfs/dbraw/zinc/48/11/85/1032481185.db2.gz CKQOKELMZAUZSR-UHFFFAOYSA-N 1 1 305.510 3.904 20 30 DHEDMO C=CC[N@H+](Cc1cn(C)nc1-c1cccnc1)Cc1ccccc1 ZINC000092261470 1032484812 /nfs/dbraw/zinc/48/48/12/1032484812.db2.gz PUJITAMDYGODDB-UHFFFAOYSA-N 1 1 318.424 3.670 20 30 DHEDMO CC[N@@H+](Cc1cccc(OCCCC#N)c1)Cc1ccccn1 ZINC000093338745 1032530806 /nfs/dbraw/zinc/53/08/06/1032530806.db2.gz WKSPVVOSLRVBAL-UHFFFAOYSA-N 1 1 309.413 3.786 20 30 DHEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@](C)(O)c1ccccc1 ZINC001171389602 1032568450 /nfs/dbraw/zinc/56/84/50/1032568450.db2.gz AIDZRXCQKMJZRZ-LJQANCHMSA-N 1 1 313.828 3.531 20 30 DHEDMO Cc1cc(C)c(NC(=O)CCC[N@H+](C)[C@H](C)CC#N)c(C)c1 ZINC000138169528 1032574762 /nfs/dbraw/zinc/57/47/62/1032574762.db2.gz YLVFSZVSUUKBOB-MRXNPFEDSA-N 1 1 301.434 3.565 20 30 DHEDMO C=CCn1cc(C[NH2+][C@H](CCC)c2ccc(Cl)cc2)nn1 ZINC000424291248 1011959633 /nfs/dbraw/zinc/95/96/33/1011959633.db2.gz DJMSTKDZPOFLJV-MRXNPFEDSA-N 1 1 304.825 3.749 20 30 DHEDMO C=CCn1cc(C[NH2+][C@H](c2ccc(Cl)cc2)C(C)C)nn1 ZINC000424293576 1011959671 /nfs/dbraw/zinc/95/96/71/1011959671.db2.gz IQOQGFURVZGVEL-INIZCTEOSA-N 1 1 304.825 3.604 20 30 DHEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000424695432 1012092453 /nfs/dbraw/zinc/09/24/53/1012092453.db2.gz XOLFDQQMGZZNKD-GDBMZVCRSA-N 1 1 320.502 3.850 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000424699267 1012111018 /nfs/dbraw/zinc/11/10/18/1012111018.db2.gz BJZSNLGJAYPPQP-WMZOPIPTSA-N 1 1 314.473 3.758 20 30 DHEDMO CC(=O)c1ccc(C#N)c(N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000664404908 1012168978 /nfs/dbraw/zinc/16/89/78/1012168978.db2.gz YHUAHFYYDHACQP-QGZVFWFLSA-N 1 1 311.429 3.580 20 30 DHEDMO C[C@@H](NCc1ccc(C#N)cc1F)c1cccc(C[NH+](C)C)c1 ZINC000924980295 1012271647 /nfs/dbraw/zinc/27/16/47/1012271647.db2.gz PVICRZNYYSXTQS-CQSZACIVSA-N 1 1 311.404 3.610 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccnn1CC1CCC1 ZINC000924981695 1012300048 /nfs/dbraw/zinc/30/00/48/1012300048.db2.gz XAGHFGYBXHYDTD-ZDUSSCGKSA-N 1 1 312.392 3.545 20 30 DHEDMO C=CCN1CCC([NH2+][C@H](c2ccc(C)cc2)c2cccnc2)CC1 ZINC000924983482 1012338154 /nfs/dbraw/zinc/33/81/54/1012338154.db2.gz FWLIXACKJNYWNE-OAQYLSRUSA-N 1 1 321.468 3.719 20 30 DHEDMO C=CC[NH+]1CCC(N[C@@H](C)c2cc(-c3ccccc3)no2)CC1 ZINC000924984195 1012346744 /nfs/dbraw/zinc/34/67/44/1012346744.db2.gz PIWHFVULSANANY-HNNXBMFYSA-N 1 1 311.429 3.643 20 30 DHEDMO N#Cc1cccc(OCC[N@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000610215031 1012424930 /nfs/dbraw/zinc/42/49/30/1012424930.db2.gz RVFGYVNUHPHPGS-LJQANCHMSA-N 1 1 306.409 3.502 20 30 DHEDMO CC(C)N(C)c1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cn1 ZINC000425365601 1012493839 /nfs/dbraw/zinc/49/38/39/1012493839.db2.gz MCCWDAHAIPXBOY-MRXNPFEDSA-N 1 1 322.456 3.991 20 30 DHEDMO C=CCC(C)(C)C(=O)N1CCC2(CC[N@H+](C3CCCC3)C2)CC1 ZINC001269977808 1012544968 /nfs/dbraw/zinc/54/49/68/1012544968.db2.gz TXQLJKVHVXEOJZ-UHFFFAOYSA-N 1 1 318.505 3.846 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@@H]1CCc3c(F)cccc3C1)C2 ZINC001171423377 1032638229 /nfs/dbraw/zinc/63/82/29/1032638229.db2.gz ZJEKJQBXVNPRGH-GOSISDBHSA-N 1 1 306.384 3.613 20 30 DHEDMO COC(=O)[C@H](CC[N@H+](CCC#N)CC(C)(C)C)c1ccccc1 ZINC000425418795 1012620916 /nfs/dbraw/zinc/62/09/16/1012620916.db2.gz MHOCZWRMFJKTME-QGZVFWFLSA-N 1 1 316.445 3.595 20 30 DHEDMO COC(=O)[C@H](CC[N@@H+](CCC#N)CC(C)(C)C)c1ccccc1 ZINC000425418795 1012620925 /nfs/dbraw/zinc/62/09/25/1012620925.db2.gz MHOCZWRMFJKTME-QGZVFWFLSA-N 1 1 316.445 3.595 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1cnc(N(C)C)s1)c1ccc(F)c(F)c1 ZINC000274823467 1012715279 /nfs/dbraw/zinc/71/52/79/1012715279.db2.gz SGHYGQYKLCIIRM-HNNXBMFYSA-N 1 1 323.412 3.894 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000425531714 1012732264 /nfs/dbraw/zinc/73/22/64/1012732264.db2.gz MPQIJRFXCZOGBG-AEFFLSMTSA-N 1 1 314.473 3.616 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOCCOc1ccccc1 ZINC000425536116 1012733908 /nfs/dbraw/zinc/73/39/08/1012733908.db2.gz OGTDBCCJGRBHNK-KRWDZBQOSA-N 1 1 324.424 3.647 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)CCc1ccccc1 ZINC000425537227 1012734172 /nfs/dbraw/zinc/73/41/72/1012734172.db2.gz QDMWXKOPGFTRTA-JXFKEZNVSA-N 1 1 308.425 3.545 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000425529207 1012734639 /nfs/dbraw/zinc/73/46/39/1012734639.db2.gz AYJOPNZZNMAQJT-INIZCTEOSA-N 1 1 319.408 3.892 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)Nc1ccccc1 ZINC000425534412 1012737556 /nfs/dbraw/zinc/73/75/56/1012737556.db2.gz LYZDMCDFRXNZKL-OAHLLOKOSA-N 1 1 307.397 3.580 20 30 DHEDMO C[C@@H](c1cccs1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000336851007 1012923674 /nfs/dbraw/zinc/92/36/74/1012923674.db2.gz BASQHQCKQUECEW-ZDUSSCGKSA-N 1 1 313.426 3.641 20 30 DHEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3ccc(C#N)o3)c2C1 ZINC000339860599 1012966223 /nfs/dbraw/zinc/96/62/23/1012966223.db2.gz WVMNLNOTEAFPOQ-UHFFFAOYSA-N 1 1 323.396 3.765 20 30 DHEDMO COc1ccc(Oc2ccc(C[NH2+]CC3(C#N)CC3)cc2)cc1 ZINC000517660602 1013038598 /nfs/dbraw/zinc/03/85/98/1013038598.db2.gz LFQRJIKDGVFURR-UHFFFAOYSA-N 1 1 308.381 3.881 20 30 DHEDMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc(CC#N)cc1 ZINC000342764432 1017187642 /nfs/dbraw/zinc/18/76/42/1017187642.db2.gz HPSFHIHHZLJTDB-UHFFFAOYSA-N 1 1 316.408 3.570 20 30 DHEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000342771793 1017206735 /nfs/dbraw/zinc/20/67/35/1017206735.db2.gz AOAPOQSDPZVNDG-GOSISDBHSA-N 1 1 316.408 3.543 20 30 DHEDMO Cc1ccc(C#N)c(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000346812293 1017387801 /nfs/dbraw/zinc/38/78/01/1017387801.db2.gz BTKUJHRJZYSQBP-MRXNPFEDSA-N 1 1 308.429 3.584 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121387280 1017409726 /nfs/dbraw/zinc/40/97/26/1017409726.db2.gz BORCYJAZUJFPPC-HNNXBMFYSA-N 1 1 310.372 3.695 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000657569795 1017427016 /nfs/dbraw/zinc/42/70/16/1017427016.db2.gz COASGHVREYKYMD-UHFFFAOYSA-N 1 1 323.440 3.536 20 30 DHEDMO CC[C@@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1ccc(C#N)cc1 ZINC000342815371 1017433496 /nfs/dbraw/zinc/43/34/96/1017433496.db2.gz PMQDXWOSTYOBHG-GOSISDBHSA-N 1 1 304.397 3.718 20 30 DHEDMO N#Cc1cccc(C[N@H+](Cc2cccs2)[C@H]2C=C[C@H](CO)C2)c1 ZINC000347335975 1017498634 /nfs/dbraw/zinc/49/86/34/1017498634.db2.gz KCIIJFCVBPGHGH-ROUUACIJSA-N 1 1 324.449 3.559 20 30 DHEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268613427 1017567941 /nfs/dbraw/zinc/56/79/41/1017567941.db2.gz LNVCJDSXRGFTDI-SCLBCKFNSA-N 1 1 314.816 3.938 20 30 DHEDMO Cc1[nH+]ccn1CCCCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000078336393 1017599880 /nfs/dbraw/zinc/59/98/80/1017599880.db2.gz URVPXQZKNFJDEJ-UHFFFAOYSA-N 1 1 322.334 3.974 20 30 DHEDMO CC[C@@H](CO)[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000444686295 1017615340 /nfs/dbraw/zinc/61/53/40/1017615340.db2.gz VFEOPFTVUIIMEC-SFHVURJKSA-N 1 1 302.462 3.980 20 30 DHEDMO Cc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000046529565 1017626235 /nfs/dbraw/zinc/62/62/35/1017626235.db2.gz FWYBPVMJQWZRDX-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000046529565 1017626239 /nfs/dbraw/zinc/62/62/39/1017626239.db2.gz FWYBPVMJQWZRDX-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444684602 1017631400 /nfs/dbraw/zinc/63/14/00/1017631400.db2.gz NKFGPOUUBIDAEI-INIZCTEOSA-N 1 1 308.466 3.760 20 30 DHEDMO FC(F)(F)C[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000444692117 1017634098 /nfs/dbraw/zinc/63/40/98/1017634098.db2.gz DPFOJCVQHFVVOZ-ZDUSSCGKSA-N 1 1 301.739 3.966 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000342868700 1017641592 /nfs/dbraw/zinc/64/15/92/1017641592.db2.gz PKXDCXUPFDAIHT-CYBMUJFWSA-N 1 1 324.827 3.500 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000342868700 1017641599 /nfs/dbraw/zinc/64/15/99/1017641599.db2.gz PKXDCXUPFDAIHT-CYBMUJFWSA-N 1 1 324.827 3.500 20 30 DHEDMO C=CC[C@@H]1[N@H+](CC[S@@](=O)c2ccccc2)CCCC1(C)C ZINC000444779768 1017662773 /nfs/dbraw/zinc/66/27/73/1017662773.db2.gz LNRNGZGPVOFEOQ-LAUBAEHRSA-N 1 1 305.487 3.861 20 30 DHEDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000444774716 1017670481 /nfs/dbraw/zinc/67/04/81/1017670481.db2.gz XRRDJZJSDIGSSF-IBGZPJMESA-N 1 1 300.446 3.615 20 30 DHEDMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CCCCC(C)(C)C#N ZINC000444774674 1017672293 /nfs/dbraw/zinc/67/22/93/1017672293.db2.gz KCXYOLJPZPRLKY-GOSISDBHSA-N 1 1 308.466 3.904 20 30 DHEDMO CC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)CC1CC1 ZINC000125670156 1032716312 /nfs/dbraw/zinc/71/63/12/1032716312.db2.gz BAIFABNPIAKOCF-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO C=CC[C@H]1CC[N@@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000625700586 1017774242 /nfs/dbraw/zinc/77/42/42/1017774242.db2.gz CKFLFZPDFUKVKH-JTQLQIEISA-N 1 1 315.642 3.896 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000625700586 1017774254 /nfs/dbraw/zinc/77/42/54/1017774254.db2.gz CKFLFZPDFUKVKH-JTQLQIEISA-N 1 1 315.642 3.896 20 30 DHEDMO N#CCC[N@@H+](C1CCCC1)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171488428 1032728403 /nfs/dbraw/zinc/72/84/03/1032728403.db2.gz NKZDUSRKGQFYOE-INIZCTEOSA-N 1 1 304.384 3.980 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC001171490568 1032732475 /nfs/dbraw/zinc/73/24/75/1032732475.db2.gz PVGGNWXCCDNDLL-CQSZACIVSA-N 1 1 311.347 3.863 20 30 DHEDMO C#CC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000278019057 1017949524 /nfs/dbraw/zinc/94/95/24/1017949524.db2.gz AINSTUMBNHHHLF-CQSZACIVSA-N 1 1 312.438 3.631 20 30 DHEDMO CC(C)[C@H](C(=O)Nc1ccc2nc[nH]c2c1)[NH+]1CCCCC1 ZINC000329118186 1017952525 /nfs/dbraw/zinc/95/25/25/1017952525.db2.gz UVZKJBWKZGVHGS-MRXNPFEDSA-N 1 1 300.406 3.661 20 30 DHEDMO C=CC(C)(C)CC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC001128716585 1017980554 /nfs/dbraw/zinc/98/05/54/1017980554.db2.gz LRHMIGYMQZXZIA-WMZOPIPTSA-N 1 1 312.457 3.732 20 30 DHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC2(CCCC2)C1 ZINC000445872990 1017999966 /nfs/dbraw/zinc/99/99/66/1017999966.db2.gz BDKUEIWQFPNVFC-HNNXBMFYSA-N 1 1 311.429 3.541 20 30 DHEDMO C=CCOc1cccc(C[N@H+](C)C[C@@H](C)c2nccs2)c1 ZINC000183261792 1018008127 /nfs/dbraw/zinc/00/81/27/1018008127.db2.gz OXLHOUPPURSJMY-CQSZACIVSA-N 1 1 302.443 3.943 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934774401 1018016483 /nfs/dbraw/zinc/01/64/83/1018016483.db2.gz QZYZVWIRFDWVCJ-QAPCUYQASA-N 1 1 300.471 3.673 20 30 DHEDMO COc1cc2c(cc1OC)C[N@@H+]([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000172394420 1018042580 /nfs/dbraw/zinc/04/25/80/1018042580.db2.gz LWEJVEQWYHSZLF-CQSZACIVSA-N 1 1 322.408 3.695 20 30 DHEDMO COc1cc2c(cc1OC)C[N@H+]([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000172394420 1018042596 /nfs/dbraw/zinc/04/25/96/1018042596.db2.gz LWEJVEQWYHSZLF-CQSZACIVSA-N 1 1 322.408 3.695 20 30 DHEDMO C[C@H](C#N)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000183816331 1018046191 /nfs/dbraw/zinc/04/61/91/1018046191.db2.gz UNEDHYJSNCZFRQ-LLVKDONJSA-N 1 1 301.371 3.573 20 30 DHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCCC(C)(C)C2)c(C#N)c1C ZINC000446072695 1018055048 /nfs/dbraw/zinc/05/50/48/1018055048.db2.gz MYLXPSJNWFZWPR-CYBMUJFWSA-N 1 1 317.433 3.607 20 30 DHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCCC(C)(C)C2)c(C#N)c1C ZINC000446072695 1018055062 /nfs/dbraw/zinc/05/50/62/1018055062.db2.gz MYLXPSJNWFZWPR-CYBMUJFWSA-N 1 1 317.433 3.607 20 30 DHEDMO N#Cc1csc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000343071463 1018090720 /nfs/dbraw/zinc/09/07/20/1018090720.db2.gz ANTJWIPRUAQNDP-SFHVURJKSA-N 1 1 305.406 3.894 20 30 DHEDMO C=CCCCCCN(C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000524831217 1018102490 /nfs/dbraw/zinc/10/24/90/1018102490.db2.gz RVVVHYDHPGRSCR-DLBZAZTESA-N 1 1 309.498 3.637 20 30 DHEDMO Cc1cnc([C@H]([NH2+]CC#Cc2ccc(F)cc2)C2CC2)s1 ZINC000185281779 1018111684 /nfs/dbraw/zinc/11/16/84/1018111684.db2.gz YZOGNYDCIAMJOT-MRXNPFEDSA-N 1 1 300.402 3.683 20 30 DHEDMO COc1ccc(C[C@H](C)C[N@H+](CC#N)C2CCCC2)cc1F ZINC000185253132 1018111918 /nfs/dbraw/zinc/11/19/18/1018111918.db2.gz FAOYBBUUBDFURQ-AWEZNQCLSA-N 1 1 304.409 3.781 20 30 DHEDMO COc1ccc(C[C@H](C)C[N@@H+](CC#N)C2CCCC2)cc1F ZINC000185253132 1018111921 /nfs/dbraw/zinc/11/19/21/1018111921.db2.gz FAOYBBUUBDFURQ-AWEZNQCLSA-N 1 1 304.409 3.781 20 30 DHEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)Cc1ccc(C)cc1 ZINC000524907054 1018125355 /nfs/dbraw/zinc/12/53/55/1018125355.db2.gz QAEVUVKMRNDUJY-UHFFFAOYSA-N 1 1 324.424 3.776 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001171476707 1032746086 /nfs/dbraw/zinc/74/60/86/1032746086.db2.gz ORORSZHHUMQOHJ-GOSISDBHSA-N 1 1 324.374 3.752 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(OCC)cn1 ZINC000674861286 1018169587 /nfs/dbraw/zinc/16/95/87/1018169587.db2.gz UHTOMWKXIWQFHB-UHFFFAOYSA-N 1 1 312.413 3.677 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(OCC)cn1 ZINC000674861286 1018169592 /nfs/dbraw/zinc/16/95/92/1018169592.db2.gz UHTOMWKXIWQFHB-UHFFFAOYSA-N 1 1 312.413 3.677 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2cnc3nc(C)cc(C)n23)CCCC1(C)C ZINC000446830499 1018262451 /nfs/dbraw/zinc/26/24/51/1018262451.db2.gz SVPNJKMIBWPXDD-KRWDZBQOSA-N 1 1 312.461 3.913 20 30 DHEDMO C#CCOc1ccc([C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000764635459 1018337717 /nfs/dbraw/zinc/33/77/17/1018337717.db2.gz MXOTYNBSBXTLNY-OAHLLOKOSA-N 1 1 314.473 3.658 20 30 DHEDMO C#CC[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000764676651 1018346423 /nfs/dbraw/zinc/34/64/23/1018346423.db2.gz MUWNSGKOSKGDIC-UHFFFAOYSA-N 1 1 316.404 3.735 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000383117828 1018365691 /nfs/dbraw/zinc/36/56/91/1018365691.db2.gz VZJFPDUPIHODDN-UHFFFAOYSA-N 1 1 313.489 3.913 20 30 DHEDMO CC(C)(C#N)CCCN1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000383117828 1018365699 /nfs/dbraw/zinc/36/56/99/1018365699.db2.gz VZJFPDUPIHODDN-UHFFFAOYSA-N 1 1 313.489 3.913 20 30 DHEDMO CC(C)(C#N)CCCN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000383117828 1018365709 /nfs/dbraw/zinc/36/57/09/1018365709.db2.gz VZJFPDUPIHODDN-UHFFFAOYSA-N 1 1 313.489 3.913 20 30 DHEDMO Cc1ccccc1C[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441241418 1018366761 /nfs/dbraw/zinc/36/67/61/1018366761.db2.gz CZNANPXJRGPYKH-UHFFFAOYSA-N 1 1 318.380 3.549 20 30 DHEDMO Cc1ccccc1C[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441241418 1018366769 /nfs/dbraw/zinc/36/67/69/1018366769.db2.gz CZNANPXJRGPYKH-UHFFFAOYSA-N 1 1 318.380 3.549 20 30 DHEDMO C=C(Cl)CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766127266 1018443020 /nfs/dbraw/zinc/44/30/20/1018443020.db2.gz DOWUQBKQHPFVLP-ROUUACIJSA-N 1 1 304.865 3.725 20 30 DHEDMO C=C(Cl)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000766127262 1018444414 /nfs/dbraw/zinc/44/44/14/1018444414.db2.gz DOWUQBKQHPFVLP-MSOLQXFVSA-N 1 1 304.865 3.725 20 30 DHEDMO Cc1ccc(C#N)c(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000161723894 1018484798 /nfs/dbraw/zinc/48/47/98/1018484798.db2.gz ZOHZSFNJEGXVKC-KXBFYZLASA-N 1 1 320.440 3.584 20 30 DHEDMO N#Cc1cccc(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)n1 ZINC000178924594 1018569983 /nfs/dbraw/zinc/56/99/83/1018569983.db2.gz SGLXUQGRDOOICW-UHFFFAOYSA-N 1 1 303.369 3.773 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2CCC(C)(C)C#N)c(OC)c1 ZINC000157461221 1018640138 /nfs/dbraw/zinc/64/01/38/1018640138.db2.gz UJCXIOPVCBLVRM-MRXNPFEDSA-N 1 1 302.418 3.781 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000303918445 1018725222 /nfs/dbraw/zinc/72/52/22/1018725222.db2.gz OBTKWMIRYHTIMY-IBGZPJMESA-N 1 1 312.457 3.723 20 30 DHEDMO C[C@H]1C[C@@H](NCC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000405150680 1018730305 /nfs/dbraw/zinc/73/03/05/1018730305.db2.gz OKFYUTBAARMCSP-HKUYNNGSSA-N 1 1 311.473 3.713 20 30 DHEDMO C[C@H]1C[C@@H]([N@@H+](C)CCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000131780415 1018761260 /nfs/dbraw/zinc/76/12/60/1018761260.db2.gz ROXBJPRQNQBNJS-HKUYNNGSSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@H]1C[C@@H](N(C)CCC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000131780415 1018761273 /nfs/dbraw/zinc/76/12/73/1018761273.db2.gz ROXBJPRQNQBNJS-HKUYNNGSSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@H]1C[C@@H](N(C)CCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000131780415 1018761286 /nfs/dbraw/zinc/76/12/86/1018761286.db2.gz ROXBJPRQNQBNJS-HKUYNNGSSA-N 1 1 313.489 3.911 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000477270704 1032787830 /nfs/dbraw/zinc/78/78/30/1032787830.db2.gz HXTIDLKTSFRUGQ-MSOLQXFVSA-N 1 1 316.470 3.687 20 30 DHEDMO SC1CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC001137526570 1018853840 /nfs/dbraw/zinc/85/38/40/1018853840.db2.gz ZVJGIQPGDCUGRX-UHFFFAOYSA-N 1 1 320.683 3.997 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1Cl ZINC000179039752 1018913057 /nfs/dbraw/zinc/91/30/57/1018913057.db2.gz UZUHJCIJXGYZGO-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO C[C@@H]1C[C@@H](C)C[NH+](CCCN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000584083178 1018931400 /nfs/dbraw/zinc/93/14/00/1018931400.db2.gz FWUZRVQYJZFTGT-QINHECLXSA-N 1 1 311.473 3.503 20 30 DHEDMO CCC[N@@H+](Cc1nc(C#N)cs1)[C@H]1CCc2ccccc2C1 ZINC000584144871 1018981005 /nfs/dbraw/zinc/98/10/05/1018981005.db2.gz RZZRRFIRBWNSKQ-KRWDZBQOSA-N 1 1 311.454 3.784 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccnn1-c1ccccc1 ZINC000619611170 1018991016 /nfs/dbraw/zinc/99/10/16/1018991016.db2.gz VGUQJQGKCKPPBU-CQSZACIVSA-N 1 1 320.371 3.734 20 30 DHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000263879456 1032802168 /nfs/dbraw/zinc/80/21/68/1032802168.db2.gz KWGXWEIAMMXHAH-HZPDHXFCSA-N 1 1 321.424 3.621 20 30 DHEDMO CCN1CC[C@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000135249397 1019075330 /nfs/dbraw/zinc/07/53/30/1019075330.db2.gz IDUNOFBHQLAASM-APWZRJJASA-N 1 1 313.489 3.650 20 30 DHEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000135249397 1019075346 /nfs/dbraw/zinc/07/53/46/1019075346.db2.gz IDUNOFBHQLAASM-APWZRJJASA-N 1 1 313.489 3.650 20 30 DHEDMO CC[C@@]1(C)CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075997985 1019076882 /nfs/dbraw/zinc/07/68/82/1019076882.db2.gz QNGXRCNKAABCBR-SFHVURJKSA-N 1 1 310.401 3.620 20 30 DHEDMO C=CCC[C@@H]([NH2+]Cc1nc(Br)c[nH]1)c1ccccc1 ZINC000921917320 1019104782 /nfs/dbraw/zinc/10/47/82/1019104782.db2.gz KWMJPRLTYIBJCB-CYBMUJFWSA-N 1 1 320.234 3.969 20 30 DHEDMO C[C@@H](Nc1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309876694 1019113785 /nfs/dbraw/zinc/11/37/85/1019113785.db2.gz UJXGOPQKTVFADQ-VQIMIIECSA-N 1 1 305.425 3.881 20 30 DHEDMO C[C@@H]1CN(Cc2ccc(C#N)cc2Cl)CC[N@H+](C2CCC2)C1 ZINC000429383932 1019119711 /nfs/dbraw/zinc/11/97/11/1019119711.db2.gz IQKNBPKECHXMTC-CQSZACIVSA-N 1 1 317.864 3.518 20 30 DHEDMO N#CCC[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccccc1 ZINC000921926369 1019123520 /nfs/dbraw/zinc/12/35/20/1019123520.db2.gz WCROZZDOPIZIQJ-LJQANCHMSA-N 1 1 308.429 3.818 20 30 DHEDMO CC(C)[N@@H+](CCSc1ccncc1)Cc1ccc(C#N)cc1 ZINC000929378581 1019124937 /nfs/dbraw/zinc/12/49/37/1019124937.db2.gz ACONRAPPNIVPBT-UHFFFAOYSA-N 1 1 311.454 3.956 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1)C1CC1 ZINC000338575745 1019236189 /nfs/dbraw/zinc/23/61/89/1019236189.db2.gz DIJOZEHXSGCFBI-SFHVURJKSA-N 1 1 319.408 3.556 20 30 DHEDMO C[C@H]([NH2+]Cc1nc2ccc(Cl)cc2n1C)c1cccc(C#N)c1 ZINC000611198751 1019411682 /nfs/dbraw/zinc/41/16/82/1019411682.db2.gz IDOXVSUXKPYFGT-LBPRGKRZSA-N 1 1 324.815 3.949 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)o1 ZINC000611252802 1019422159 /nfs/dbraw/zinc/42/21/59/1019422159.db2.gz UQVULUOGZDNWOI-UHFFFAOYSA-N 1 1 324.380 3.825 20 30 DHEDMO CCC[N@@H+](Cc1nn(C)c2ccccc12)Cc1ccc(C#N)cc1 ZINC000611255792 1019423980 /nfs/dbraw/zinc/42/39/80/1019423980.db2.gz YHJLQHQQNNXZNG-UHFFFAOYSA-N 1 1 318.424 3.857 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)o1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000611266810 1019428352 /nfs/dbraw/zinc/42/83/52/1019428352.db2.gz PKJCIYNSLYLIDM-APWZRJJASA-N 1 1 310.397 3.751 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](CC(C)C)C2CC2)c1C#N ZINC000611346310 1019453131 /nfs/dbraw/zinc/45/31/31/1019453131.db2.gz WUOKBRZOQIACBU-UHFFFAOYSA-N 1 1 308.429 3.673 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+](CC(C)C)C2CC2)c1C#N ZINC000611346310 1019453139 /nfs/dbraw/zinc/45/31/39/1019453139.db2.gz WUOKBRZOQIACBU-UHFFFAOYSA-N 1 1 308.429 3.673 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](CC2CC2)C(C)C)c1C#N ZINC000611347638 1019456033 /nfs/dbraw/zinc/45/60/33/1019456033.db2.gz HVHXYLUQNIFJPH-UHFFFAOYSA-N 1 1 308.429 3.673 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+](CC2CC2)C(C)C)c1C#N ZINC000611347638 1019456041 /nfs/dbraw/zinc/45/60/41/1019456041.db2.gz HVHXYLUQNIFJPH-UHFFFAOYSA-N 1 1 308.429 3.673 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](C)[C@H](C)C2)c1C#N ZINC000611349324 1019456741 /nfs/dbraw/zinc/45/67/41/1019456741.db2.gz BYXMQJMPPPTYPS-LSDHHAIUSA-N 1 1 308.429 3.530 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c1C#N ZINC000611349324 1019456746 /nfs/dbraw/zinc/45/67/46/1019456746.db2.gz BYXMQJMPPPTYPS-LSDHHAIUSA-N 1 1 308.429 3.530 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccn(-c2cccc(F)c2)n1)c1cccc(C#N)c1 ZINC000611388517 1019461819 /nfs/dbraw/zinc/46/18/19/1019461819.db2.gz IYBKXSSVFCHMOW-CQSZACIVSA-N 1 1 320.371 3.734 20 30 DHEDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611391565 1019464812 /nfs/dbraw/zinc/46/48/12/1019464812.db2.gz XMXMGRXLSOISAP-QINHECLXSA-N 1 1 311.473 3.646 20 30 DHEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611391565 1019464820 /nfs/dbraw/zinc/46/48/20/1019464820.db2.gz XMXMGRXLSOISAP-QINHECLXSA-N 1 1 311.473 3.646 20 30 DHEDMO COC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(C)o1 ZINC000611393357 1019467707 /nfs/dbraw/zinc/46/77/07/1019467707.db2.gz DAILVBUTJVUTQO-ROUUACIJSA-N 1 1 310.397 3.814 20 30 DHEDMO COC(=O)c1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)c(C)o1 ZINC000611407013 1019474662 /nfs/dbraw/zinc/47/46/62/1019474662.db2.gz SJTCNBUCERCFMX-INIZCTEOSA-N 1 1 312.369 3.509 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000114467986 1019511572 /nfs/dbraw/zinc/51/15/72/1019511572.db2.gz WPYXQTZEOFKDKA-HXUWFJFHSA-N 1 1 324.399 3.569 20 30 DHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc(C#N)ccc1F ZINC000611555330 1019518511 /nfs/dbraw/zinc/51/85/11/1019518511.db2.gz XNHNLWREPGGFSD-GXFFZTMASA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc(C#N)ccc1F ZINC000611555330 1019518519 /nfs/dbraw/zinc/51/85/19/1019518519.db2.gz XNHNLWREPGGFSD-GXFFZTMASA-N 1 1 300.299 3.860 20 30 DHEDMO CC1(C)CN(Cc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000078516765 1019521391 /nfs/dbraw/zinc/52/13/91/1019521391.db2.gz INRIFAOOPNAZBC-UHFFFAOYSA-N 1 1 319.452 3.655 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1F ZINC000370683733 1019713656 /nfs/dbraw/zinc/71/36/56/1019713656.db2.gz LBVUHHVMZQGTPB-HXUWFJFHSA-N 1 1 317.367 3.972 20 30 DHEDMO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2)C2CC2)cc1 ZINC000164460904 1019718744 /nfs/dbraw/zinc/71/87/44/1019718744.db2.gz MHPPCNPTSAWFCS-UHFFFAOYSA-N 1 1 319.408 3.551 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1snnc1C ZINC000929271611 1019721051 /nfs/dbraw/zinc/72/10/51/1019721051.db2.gz ZLITYIMARZDDFO-CYBMUJFWSA-N 1 1 300.431 3.691 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1snnc1C ZINC000929271611 1019721068 /nfs/dbraw/zinc/72/10/68/1019721068.db2.gz ZLITYIMARZDDFO-CYBMUJFWSA-N 1 1 300.431 3.691 20 30 DHEDMO C[C@@H](c1cccs1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000067474645 1019748683 /nfs/dbraw/zinc/74/86/83/1019748683.db2.gz SDQAKYNSYXQJRK-ZDUSSCGKSA-N 1 1 313.426 3.641 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)C2CCC(F)(F)CC2)c1C ZINC000347599177 1019763972 /nfs/dbraw/zinc/76/39/72/1019763972.db2.gz LUUPSIKABCDZGM-UHFFFAOYSA-N 1 1 324.415 3.983 20 30 DHEDMO CCC[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1O ZINC000727830616 1019818218 /nfs/dbraw/zinc/81/82/18/1019818218.db2.gz DKRLALLZXDVLTH-UHFFFAOYSA-N 1 1 310.397 3.555 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000685464031 1019846934 /nfs/dbraw/zinc/84/69/34/1019846934.db2.gz BMEYLFQOXDPCMC-IEBWSBKVSA-N 1 1 315.457 3.890 20 30 DHEDMO C[C@@H]1C[C@H](N(CCC#N)C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171754250 1032860182 /nfs/dbraw/zinc/86/01/82/1032860182.db2.gz BCCQUGNKRHNZQX-XLIONFOSSA-N 1 1 311.473 3.808 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(OCC#N)cc1 ZINC000264133623 1032860146 /nfs/dbraw/zinc/86/01/46/1032860146.db2.gz MTJYWMJJTQWUTJ-UHFFFAOYSA-N 1 1 322.408 3.786 20 30 DHEDMO C[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC001171757037 1032860386 /nfs/dbraw/zinc/86/03/86/1032860386.db2.gz QTNZTVHXUWHWJG-LAUBAEHRSA-N 1 1 319.452 3.653 20 30 DHEDMO C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC001171757037 1032860405 /nfs/dbraw/zinc/86/04/05/1032860405.db2.gz QTNZTVHXUWHWJG-LAUBAEHRSA-N 1 1 319.452 3.653 20 30 DHEDMO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC001171757037 1032860423 /nfs/dbraw/zinc/86/04/23/1032860423.db2.gz QTNZTVHXUWHWJG-LAUBAEHRSA-N 1 1 319.452 3.653 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2cc3cccc(OC)c3o2)CC1 ZINC000730017925 1019939683 /nfs/dbraw/zinc/93/96/83/1019939683.db2.gz RBDOJXGHZJFPRG-UHFFFAOYSA-N 1 1 314.429 3.572 20 30 DHEDMO N#Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000317234052 1019969192 /nfs/dbraw/zinc/96/91/92/1019969192.db2.gz DHPIPUFTULUVKY-CHWSQXEVSA-N 1 1 309.335 3.616 20 30 DHEDMO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC000922339127 1020019064 /nfs/dbraw/zinc/01/90/64/1020019064.db2.gz VOHLJGXPJGISNC-UHFFFAOYSA-N 1 1 320.849 3.509 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000118391986 1020046494 /nfs/dbraw/zinc/04/64/94/1020046494.db2.gz ZXQHGKYVIDFUDY-SFHVURJKSA-N 1 1 319.452 3.827 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000118391986 1020046508 /nfs/dbraw/zinc/04/65/08/1020046508.db2.gz ZXQHGKYVIDFUDY-SFHVURJKSA-N 1 1 319.452 3.827 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000118391986 1020046518 /nfs/dbraw/zinc/04/65/18/1020046518.db2.gz ZXQHGKYVIDFUDY-SFHVURJKSA-N 1 1 319.452 3.827 20 30 DHEDMO CCCCCCC[C@@H](C)CNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000731119245 1020068922 /nfs/dbraw/zinc/06/89/22/1020068922.db2.gz GUKHYGGIHLKBRZ-IAGOWNOFSA-N 1 1 311.514 3.624 20 30 DHEDMO N#CCOc1ccc(C[N@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000731211256 1020080421 /nfs/dbraw/zinc/08/04/21/1020080421.db2.gz DBVJYSYWVFROSA-UHFFFAOYSA-N 1 1 310.372 3.893 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CCC(C)(C)CC1 ZINC000123939014 1020120933 /nfs/dbraw/zinc/12/09/33/1020120933.db2.gz FRHICECBGMYOBS-UHFFFAOYSA-N 1 1 313.445 3.787 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1nc(-c2ccncc2)cs1 ZINC000124035667 1020133282 /nfs/dbraw/zinc/13/32/82/1020133282.db2.gz WUBUWQRMQIYESU-ZDUSSCGKSA-N 1 1 320.421 3.928 20 30 DHEDMO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000922599065 1020152125 /nfs/dbraw/zinc/15/21/25/1020152125.db2.gz DAXDICYIJIMNCK-UHFFFAOYSA-N 1 1 304.397 3.545 20 30 DHEDMO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1n[nH]c2ccccc21 ZINC000922599639 1020155070 /nfs/dbraw/zinc/15/50/70/1020155070.db2.gz IMTNKSPKZZEYSO-UHFFFAOYSA-N 1 1 304.397 3.545 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC12CCC2 ZINC000329142644 1020157348 /nfs/dbraw/zinc/15/73/48/1020157348.db2.gz LKWGHHUGGGVUTL-CQSZACIVSA-N 1 1 322.412 3.620 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)ccc1F ZINC000154892939 1020162329 /nfs/dbraw/zinc/16/23/29/1020162329.db2.gz PAJUDKUDDODSFL-GOSISDBHSA-N 1 1 309.388 3.774 20 30 DHEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1cccc(C#N)c1 ZINC000731891709 1020163753 /nfs/dbraw/zinc/16/37/53/1020163753.db2.gz CMLZENYMUSWIBC-GQIGUUNPSA-N 1 1 306.409 3.909 20 30 DHEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cccc(C#N)c1 ZINC000731891709 1020163762 /nfs/dbraw/zinc/16/37/62/1020163762.db2.gz CMLZENYMUSWIBC-GQIGUUNPSA-N 1 1 306.409 3.909 20 30 DHEDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000093772192 1020173151 /nfs/dbraw/zinc/17/31/51/1020173151.db2.gz KICSOUGMOHNGNJ-AWEZNQCLSA-N 1 1 314.454 3.939 20 30 DHEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000093889919 1020182174 /nfs/dbraw/zinc/18/21/74/1020182174.db2.gz KXGDNJUKVCBWMT-LAJNKCICSA-N 1 1 318.467 3.550 20 30 DHEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093889919 1020182181 /nfs/dbraw/zinc/18/21/81/1020182181.db2.gz KXGDNJUKVCBWMT-LAJNKCICSA-N 1 1 318.467 3.550 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2OCC2CC2)c(F)c1 ZINC000264256136 1032886385 /nfs/dbraw/zinc/88/63/85/1032886385.db2.gz CIYGBVNVLFUMCU-UHFFFAOYSA-N 1 1 310.372 3.776 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cnn(-c2ccccc2)c1 ZINC000765813252 1020309430 /nfs/dbraw/zinc/30/94/30/1020309430.db2.gz OSYLOMKXLJKAAF-CQSZACIVSA-N 1 1 320.371 3.734 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c(F)c1 ZINC000280889382 1020313549 /nfs/dbraw/zinc/31/35/49/1020313549.db2.gz DBDJZWCIOUVIRT-QRQLOZEOSA-N 1 1 316.420 3.603 20 30 DHEDMO CCOc1ccccc1C[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000156239927 1020331986 /nfs/dbraw/zinc/33/19/86/1020331986.db2.gz HEGUOTJVRCPYIH-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO CCOc1ccccc1C[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000156239927 1020331995 /nfs/dbraw/zinc/33/19/95/1020331995.db2.gz HEGUOTJVRCPYIH-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO CCCCCCCCCC[C@@H](C)OCC[C@H]([NH3+])C(=O)OC ZINC001217893799 1020332268 /nfs/dbraw/zinc/33/22/68/1020332268.db2.gz UDXJINUXMDHLGM-CVEARBPZSA-N 1 1 301.471 3.813 20 30 DHEDMO N#Cc1ccc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000310280068 1020346081 /nfs/dbraw/zinc/34/60/81/1020346081.db2.gz PICUMPQRCSQGLK-LJQANCHMSA-N 1 1 320.440 3.667 20 30 DHEDMO C=CCCC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000338673490 1020372433 /nfs/dbraw/zinc/37/24/33/1020372433.db2.gz XWVKCEWWGYQLCZ-INIZCTEOSA-N 1 1 300.446 3.501 20 30 DHEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000157240129 1020399612 /nfs/dbraw/zinc/39/96/12/1020399612.db2.gz KAYYNEQXYPCQQL-MLGOLLRUSA-N 1 1 317.433 3.607 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2nsnc21 ZINC000766013612 1020403727 /nfs/dbraw/zinc/40/37/27/1020403727.db2.gz LNZRXGMDSOTGKK-UHFFFAOYSA-N 1 1 322.437 3.975 20 30 DHEDMO C=CCOCCC[N@H+](C)Cc1cc(Br)cs1 ZINC000347962090 1020466722 /nfs/dbraw/zinc/46/67/22/1020466722.db2.gz HXCRPHLSXBOERT-UHFFFAOYSA-N 1 1 304.253 3.535 20 30 DHEDMO C[NH+](C)C[C@H](NCc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000282596973 1020474120 /nfs/dbraw/zinc/47/41/20/1020474120.db2.gz CQHRTMUXBRXSLC-SFHVURJKSA-N 1 1 313.832 3.604 20 30 DHEDMO C=CCOCCC[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000348040427 1020490149 /nfs/dbraw/zinc/49/01/49/1020490149.db2.gz DJZXHMSXLSYTJN-ROUUACIJSA-N 1 1 307.409 3.570 20 30 DHEDMO C[C@H]1CCC[N@H+]1C1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000364715845 1020493827 /nfs/dbraw/zinc/49/38/27/1020493827.db2.gz ZRCDNYNCTZDKBW-AWEZNQCLSA-N 1 1 317.864 3.660 20 30 DHEDMO C=CCOCCC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000348057885 1020499021 /nfs/dbraw/zinc/49/90/21/1020499021.db2.gz UPYVKDYOUIXWKB-SFHVURJKSA-N 1 1 313.445 3.786 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1c(C#N)cnc2ccccc21 ZINC000301058064 1020501492 /nfs/dbraw/zinc/50/14/92/1020501492.db2.gz BESCDWSKNHVISO-OAHLLOKOSA-N 1 1 308.429 3.783 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc(C#N)cc1 ZINC000301326094 1020508796 /nfs/dbraw/zinc/50/87/96/1020508796.db2.gz AYISXLGPENSGJR-QGZVFWFLSA-N 1 1 305.425 3.659 20 30 DHEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000301419264 1020512180 /nfs/dbraw/zinc/51/21/80/1020512180.db2.gz DGQSABHDFSWEBJ-SFHVURJKSA-N 1 1 323.415 3.656 20 30 DHEDMO CCC(C)(C)[N@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000733996514 1020542263 /nfs/dbraw/zinc/54/22/63/1020542263.db2.gz LBWUYMWCKDURFK-LBPRGKRZSA-N 1 1 315.442 3.593 20 30 DHEDMO CCC(C)(C)[N@@H+](C)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000733996514 1020542267 /nfs/dbraw/zinc/54/22/67/1020542267.db2.gz LBWUYMWCKDURFK-LBPRGKRZSA-N 1 1 315.442 3.593 20 30 DHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@](C)(C#N)C1 ZINC000612405629 1020546897 /nfs/dbraw/zinc/54/68/97/1020546897.db2.gz BNDALBHPBWVGHI-FQEVSTJZSA-N 1 1 313.489 3.770 20 30 DHEDMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000612461443 1020566465 /nfs/dbraw/zinc/56/64/65/1020566465.db2.gz BAQDGLUOVBQVBZ-VIFPVBQESA-N 1 1 321.327 3.615 20 30 DHEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(-c2cncnc2)cc1 ZINC000163018615 1020570191 /nfs/dbraw/zinc/57/01/91/1020570191.db2.gz GCSODJGUWHPCMB-HNNXBMFYSA-N 1 1 314.392 3.866 20 30 DHEDMO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cn1 ZINC000542833761 1020576886 /nfs/dbraw/zinc/57/68/86/1020576886.db2.gz MVHNMRLKOGOMKE-STQMWFEESA-N 1 1 300.381 3.887 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]Cc1nccc2c1CCCC2 ZINC000921725650 1020577713 /nfs/dbraw/zinc/57/77/13/1020577713.db2.gz RMNOWSUULLWYAK-UHFFFAOYSA-N 1 1 308.425 3.815 20 30 DHEDMO CCCCCCC[C@@H](C)CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000734269351 1020578705 /nfs/dbraw/zinc/57/87/05/1020578705.db2.gz IBNVLDTVKSWUCG-CVEARBPZSA-N 1 1 309.498 3.519 20 30 DHEDMO CC[N@@H+](CCCC(=O)Nc1c(C)cc(C)cc1C)C[C@@H](C)C#N ZINC000136666618 1020583024 /nfs/dbraw/zinc/58/30/24/1020583024.db2.gz NMGOUSMHCRMKOR-HNNXBMFYSA-N 1 1 315.461 3.812 20 30 DHEDMO N#CC1CCC([NH2+]CC(F)(F)c2ccc(F)cc2F)CC1 ZINC000877805133 1033457187 /nfs/dbraw/zinc/45/71/87/1033457187.db2.gz JSQVFOYBPPNPDW-UHFFFAOYSA-N 1 1 300.299 3.729 20 30 DHEDMO Cc1noc(C)c1/C=C/C(=O)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000177617032 1020735579 /nfs/dbraw/zinc/73/55/79/1020735579.db2.gz QELZYDXBZRCUKE-CMDGGOBGSA-N 1 1 307.353 3.682 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000661386809 1020845403 /nfs/dbraw/zinc/84/54/03/1020845403.db2.gz UXYHNWWQIJYNMZ-DLBZAZTESA-N 1 1 306.494 3.559 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCCC[C@H]2[C@H](C)CC)c1=S ZINC000738054948 1020859448 /nfs/dbraw/zinc/85/94/48/1020859448.db2.gz LODJYSBELYWYSF-HIFRSBDPSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCCC[C@H]2[C@H](C)CC)c1=S ZINC000738054948 1020859454 /nfs/dbraw/zinc/85/94/54/1020859454.db2.gz LODJYSBELYWYSF-HIFRSBDPSA-N 1 1 308.495 3.767 20 30 DHEDMO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000738340459 1020869517 /nfs/dbraw/zinc/86/95/17/1020869517.db2.gz MYQKEVNRRCVKTM-AWEZNQCLSA-N 1 1 310.372 3.847 20 30 DHEDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000738340459 1020869526 /nfs/dbraw/zinc/86/95/26/1020869526.db2.gz MYQKEVNRRCVKTM-AWEZNQCLSA-N 1 1 310.372 3.847 20 30 DHEDMO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000557436026 1020894097 /nfs/dbraw/zinc/89/40/97/1020894097.db2.gz UAHQAWOGKHWMLC-LJQANCHMSA-N 1 1 306.409 3.836 20 30 DHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000739915154 1020925563 /nfs/dbraw/zinc/92/55/63/1020925563.db2.gz OGUJVMQBEAMTBU-AZUAARDMSA-N 1 1 324.424 3.595 20 30 DHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000739915154 1020925566 /nfs/dbraw/zinc/92/55/66/1020925566.db2.gz OGUJVMQBEAMTBU-AZUAARDMSA-N 1 1 324.424 3.595 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1nc2c(s1)CCC2 ZINC000414155931 1020942997 /nfs/dbraw/zinc/94/29/97/1020942997.db2.gz OJULAUGLZNGDAM-XHDPSFHLSA-N 1 1 309.438 3.842 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)s1 ZINC000180150488 1020953263 /nfs/dbraw/zinc/95/32/63/1020953263.db2.gz RRMFSEWWKPABPH-LBPRGKRZSA-N 1 1 318.829 3.926 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)s1 ZINC000180150488 1020953271 /nfs/dbraw/zinc/95/32/71/1020953271.db2.gz RRMFSEWWKPABPH-LBPRGKRZSA-N 1 1 318.829 3.926 20 30 DHEDMO CCCCCCCCCC[NH+]1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000740877056 1020959001 /nfs/dbraw/zinc/95/90/01/1020959001.db2.gz WZLINKKZBDCSHW-OALUTQOASA-N 1 1 310.526 3.658 20 30 DHEDMO CC(C)(CC#N)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000414175305 1020962820 /nfs/dbraw/zinc/96/28/20/1020962820.db2.gz YZMCZMQGDOZUDM-LDLYASANSA-N 1 1 311.473 3.711 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000613470019 1020977691 /nfs/dbraw/zinc/97/76/91/1020977691.db2.gz AAPBYGQXQADKCZ-QGZVFWFLSA-N 1 1 320.864 3.902 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000613470019 1020977701 /nfs/dbraw/zinc/97/77/01/1020977701.db2.gz AAPBYGQXQADKCZ-QGZVFWFLSA-N 1 1 320.864 3.902 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000613486501 1020994182 /nfs/dbraw/zinc/99/41/82/1020994182.db2.gz RASUHSKSEZSARA-CQSZACIVSA-N 1 1 308.853 3.757 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000613486501 1020994186 /nfs/dbraw/zinc/99/41/86/1020994186.db2.gz RASUHSKSEZSARA-CQSZACIVSA-N 1 1 308.853 3.757 20 30 DHEDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CCCC(C)(C)C#N ZINC000174872753 1021004532 /nfs/dbraw/zinc/00/45/32/1021004532.db2.gz YUHBSMJLHKAAMW-GOSISDBHSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCCC(C)(C)C#N ZINC000174872753 1021004535 /nfs/dbraw/zinc/00/45/35/1021004535.db2.gz YUHBSMJLHKAAMW-GOSISDBHSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CCCC(C)(C)C#N ZINC000174872753 1021004540 /nfs/dbraw/zinc/00/45/40/1021004540.db2.gz YUHBSMJLHKAAMW-GOSISDBHSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000174881890 1021006701 /nfs/dbraw/zinc/00/67/01/1021006701.db2.gz UAZOKZWOVFALNH-SFHVURJKSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@H]1CCN(CCCC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000174881890 1021006707 /nfs/dbraw/zinc/00/67/07/1021006707.db2.gz UAZOKZWOVFALNH-SFHVURJKSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@H]1CCN(CCCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000174881890 1021006712 /nfs/dbraw/zinc/00/67/12/1021006712.db2.gz UAZOKZWOVFALNH-SFHVURJKSA-N 1 1 313.489 3.913 20 30 DHEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCC(C)C)cc1 ZINC000917170596 1021208803 /nfs/dbraw/zinc/20/88/03/1021208803.db2.gz OZCAGYKHLJQHSL-KRWDZBQOSA-N 1 1 315.461 3.608 20 30 DHEDMO C[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccn1 ZINC000090180612 1021214708 /nfs/dbraw/zinc/21/47/08/1021214708.db2.gz JJVSBRGACMTNIP-ZDUSSCGKSA-N 1 1 304.315 3.803 20 30 DHEDMO C[N@H+]1CC=C(c2c(F)c(F)c(C(F)(F)F)c(F)c2F)CC1 ZINC001241327134 1021243316 /nfs/dbraw/zinc/24/33/16/1021243316.db2.gz HOGOPSWJFWSULC-UHFFFAOYSA-N 1 1 313.216 3.981 20 30 DHEDMO C[N@@H+]1CC=C(c2c(F)c(F)c(C(F)(F)F)c(F)c2F)CC1 ZINC001241327134 1021243323 /nfs/dbraw/zinc/24/33/23/1021243323.db2.gz HOGOPSWJFWSULC-UHFFFAOYSA-N 1 1 313.216 3.981 20 30 DHEDMO CCOC(=O)Cc1cc[nH+]c(N[C@@H](C)c2cccc(C#N)c2)c1C ZINC001167707153 1021268338 /nfs/dbraw/zinc/26/83/38/1021268338.db2.gz HGZGVHKFWIHGNV-AWEZNQCLSA-N 1 1 323.396 3.540 20 30 DHEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1cccc(F)c1F ZINC000776309667 1021276995 /nfs/dbraw/zinc/27/69/95/1021276995.db2.gz LIBZVZWZHCHIEI-CYBMUJFWSA-N 1 1 301.336 3.828 20 30 DHEDMO C=CCC[N@@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000337401578 1032972640 /nfs/dbraw/zinc/97/26/40/1032972640.db2.gz KYJJPWXCKJJCSM-UHFFFAOYSA-N 1 1 315.244 3.508 20 30 DHEDMO C=CCC[N@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl ZINC000337401578 1032972646 /nfs/dbraw/zinc/97/26/46/1032972646.db2.gz KYJJPWXCKJJCSM-UHFFFAOYSA-N 1 1 315.244 3.508 20 30 DHEDMO C[C@@]1(C#N)CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987129 1032972857 /nfs/dbraw/zinc/97/28/57/1032972857.db2.gz PEOSXAWZVURLIT-QUCCMNQESA-N 1 1 311.473 3.665 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000189343762 1021358078 /nfs/dbraw/zinc/35/80/78/1021358078.db2.gz BFDQYGXFXQSTSK-HNNXBMFYSA-N 1 1 309.388 3.581 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)CCc2ccccc2)c1 ZINC000917829850 1021378665 /nfs/dbraw/zinc/37/86/65/1021378665.db2.gz BILYQOXNCGSEHZ-QGZVFWFLSA-N 1 1 320.436 3.560 20 30 DHEDMO N#Cc1cncc(CS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000917867483 1021383401 /nfs/dbraw/zinc/38/34/01/1021383401.db2.gz XJWXTCFZARVIAI-IBGZPJMESA-N 1 1 323.465 3.851 20 30 DHEDMO C#CC[N@@H+](Cc1ccn(-c2ccc(F)cc2)n1)C1CCCCC1 ZINC000743843072 1021387692 /nfs/dbraw/zinc/38/76/92/1021387692.db2.gz OSVFRBLDOWVRKZ-UHFFFAOYSA-N 1 1 311.404 3.779 20 30 DHEDMO C#CC[N@H+](Cc1ccn(-c2ccc(F)cc2)n1)C1CCCCC1 ZINC000743843072 1021387708 /nfs/dbraw/zinc/38/77/08/1021387708.db2.gz OSVFRBLDOWVRKZ-UHFFFAOYSA-N 1 1 311.404 3.779 20 30 DHEDMO CC[N@H+](Cc1cc(C#N)ccc1F)C[C@H](O)c1ccc(C)cc1 ZINC000743866112 1021391830 /nfs/dbraw/zinc/39/18/30/1021391830.db2.gz GZMSLATYCNZGCH-IBGZPJMESA-N 1 1 312.388 3.561 20 30 DHEDMO CC[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)CCS1 ZINC000743870578 1021397418 /nfs/dbraw/zinc/39/74/18/1021397418.db2.gz YBWNMGJVFDBLQE-AWEZNQCLSA-N 1 1 310.850 3.570 20 30 DHEDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)CCS1 ZINC000743870578 1021397431 /nfs/dbraw/zinc/39/74/31/1021397431.db2.gz YBWNMGJVFDBLQE-AWEZNQCLSA-N 1 1 310.850 3.570 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H](O)c1ccccc1F ZINC000918025892 1021422486 /nfs/dbraw/zinc/42/24/86/1021422486.db2.gz OPCCJWSPPMSDLR-GOSISDBHSA-N 1 1 303.352 3.686 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)c1ccccc1F ZINC000918025892 1021422492 /nfs/dbraw/zinc/42/24/92/1021422492.db2.gz OPCCJWSPPMSDLR-GOSISDBHSA-N 1 1 303.352 3.686 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H](O)c1cc(F)ccc1F ZINC000918025916 1021422753 /nfs/dbraw/zinc/42/27/53/1021422753.db2.gz SIYUJIOOXUTSLY-SFHVURJKSA-N 1 1 321.342 3.826 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)c1cc(F)ccc1F ZINC000918025916 1021422761 /nfs/dbraw/zinc/42/27/61/1021422761.db2.gz SIYUJIOOXUTSLY-SFHVURJKSA-N 1 1 321.342 3.826 20 30 DHEDMO C[N@H+]1CC[C@@H](Nc2ccc(C#N)cc2)[C@@H]1c1ccc(F)c(F)c1 ZINC000153432092 1021437039 /nfs/dbraw/zinc/43/70/39/1021437039.db2.gz DKSVLQLWNJDARH-MSOLQXFVSA-N 1 1 313.351 3.694 20 30 DHEDMO Cc1cccc(C[N@H+](C)Cn2ccc(-c3ccc(C#N)cc3)n2)c1 ZINC000744141767 1021442883 /nfs/dbraw/zinc/44/28/83/1021442883.db2.gz POMLSWLHMLXXEC-UHFFFAOYSA-N 1 1 316.408 3.820 20 30 DHEDMO Cc1cccc(C[N@@H+](C)Cn2ccc(-c3ccc(C#N)cc3)n2)c1 ZINC000744141767 1021442898 /nfs/dbraw/zinc/44/28/98/1021442898.db2.gz POMLSWLHMLXXEC-UHFFFAOYSA-N 1 1 316.408 3.820 20 30 DHEDMO CCCCCCC[C@H](C)CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000918134663 1021463366 /nfs/dbraw/zinc/46/33/66/1021463366.db2.gz BNZUGODWCWKCOA-RCCFBDPRSA-N 1 1 323.525 3.909 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172084379 1032982959 /nfs/dbraw/zinc/98/29/59/1032982959.db2.gz WWLYMGHWJLMPKR-VXSCBNMQSA-N 1 1 322.496 3.917 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C#N)cc1 ZINC000194616764 1021496608 /nfs/dbraw/zinc/49/66/08/1021496608.db2.gz CTXQPUQYBAXUHD-LLVKDONJSA-N 1 1 315.760 3.971 20 30 DHEDMO C[C@]1(C#N)CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172091053 1032984990 /nfs/dbraw/zinc/98/49/90/1032984990.db2.gz ZZSRRCRWVLAANB-IVAOSVALSA-N 1 1 323.484 3.808 20 30 DHEDMO Cc1cc(C)c(C#N)c(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000538098334 1032985504 /nfs/dbraw/zinc/98/55/04/1032985504.db2.gz FIRVUYABXMJJAS-AEFFLSMTSA-N 1 1 320.440 3.818 20 30 DHEDMO C#CC[N@H+](CCC(=O)Nc1cccc(F)c1C)C1CCCCC1 ZINC000744390266 1021525702 /nfs/dbraw/zinc/52/57/02/1021525702.db2.gz DDEPOMYYIYVPOV-UHFFFAOYSA-N 1 1 316.420 3.731 20 30 DHEDMO CC(C)(C#N)C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000618819330 1021536069 /nfs/dbraw/zinc/53/60/69/1021536069.db2.gz BDQPRTBJVAOTGO-UHFFFAOYSA-N 1 1 322.334 3.735 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)cc1 ZINC000093442309 1021595492 /nfs/dbraw/zinc/59/54/92/1021595492.db2.gz HKADFAKAWGYVDQ-FQEVSTJZSA-N 1 1 311.425 3.807 20 30 DHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(Br)nc1 ZINC000850551252 1021600381 /nfs/dbraw/zinc/60/03/81/1021600381.db2.gz UCVZOIMEWMMVET-GFCCVEGCSA-N 1 1 322.250 3.969 20 30 DHEDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619178979 1021671594 /nfs/dbraw/zinc/67/15/94/1021671594.db2.gz BILUQFAQDKQYPF-QAPCUYQASA-N 1 1 300.446 3.613 20 30 DHEDMO C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000851207226 1021779301 /nfs/dbraw/zinc/77/93/01/1021779301.db2.gz ATHCFRZOXCLVAH-RDJZCZTQSA-N 1 1 314.429 3.523 20 30 DHEDMO C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000851207226 1021779317 /nfs/dbraw/zinc/77/93/17/1021779317.db2.gz ATHCFRZOXCLVAH-RDJZCZTQSA-N 1 1 314.429 3.523 20 30 DHEDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000619620395 1021812785 /nfs/dbraw/zinc/81/27/85/1021812785.db2.gz DIIURSWLBRGIQW-HNNXBMFYSA-N 1 1 316.420 3.845 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cn1cc(Cl)cn1 ZINC000746056033 1021841612 /nfs/dbraw/zinc/84/16/12/1021841612.db2.gz POISBWUSRFKWTC-UHFFFAOYSA-N 1 1 302.809 3.524 20 30 DHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cn1cc(Cl)cn1 ZINC000746056033 1021841628 /nfs/dbraw/zinc/84/16/28/1021841628.db2.gz POISBWUSRFKWTC-UHFFFAOYSA-N 1 1 302.809 3.524 20 30 DHEDMO CC[N@@H+](Cc1cnn(CC(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000183084248 1021971163 /nfs/dbraw/zinc/97/11/63/1021971163.db2.gz KGYSGQFCXIZQLM-MRXNPFEDSA-N 1 1 310.445 3.994 20 30 DHEDMO C=CCC(CC=C)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000153195237 1022010092 /nfs/dbraw/zinc/01/00/92/1022010092.db2.gz VLZCDSSIOFFYOY-LPHOPBHVSA-N 1 1 312.457 3.534 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)cc1 ZINC000851834516 1022014758 /nfs/dbraw/zinc/01/47/58/1022014758.db2.gz SHQJJCPPCRPUFH-RTWAWAEBSA-N 1 1 320.436 3.689 20 30 DHEDMO CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000153344583 1022038710 /nfs/dbraw/zinc/03/87/10/1022038710.db2.gz WNILKOYZYRBGOL-KRWDZBQOSA-N 1 1 324.428 3.558 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C[C@H](C)c2nccs2)cc1 ZINC000183258171 1022061831 /nfs/dbraw/zinc/06/18/31/1022061831.db2.gz NPWNPOPHDXOXGM-KBPBESRZSA-N 1 1 315.442 3.669 20 30 DHEDMO COc1ccc(O)c(/C=N\[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000920175662 1022073905 /nfs/dbraw/zinc/07/39/05/1022073905.db2.gz ZMOIAMGMISPWLF-PKUKISGVSA-N 1 1 324.424 3.655 20 30 DHEDMO C=CCCOCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000620194867 1022077880 /nfs/dbraw/zinc/07/78/80/1022077880.db2.gz YVHLYFASDFWENJ-MRXNPFEDSA-N 1 1 316.445 3.592 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000852319781 1022105557 /nfs/dbraw/zinc/10/55/57/1022105557.db2.gz RPDSAVQVQWWZOE-IAQYHMDHSA-N 1 1 313.228 3.652 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000852319781 1022105558 /nfs/dbraw/zinc/10/55/58/1022105558.db2.gz RPDSAVQVQWWZOE-IAQYHMDHSA-N 1 1 313.228 3.652 20 30 DHEDMO CC(C)(C)OCCCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852330509 1022108261 /nfs/dbraw/zinc/10/82/61/1022108261.db2.gz DHFSZQZUKZMMGA-LJQANCHMSA-N 1 1 315.461 3.534 20 30 DHEDMO CC(C)(C)OCCCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852330509 1022108264 /nfs/dbraw/zinc/10/82/64/1022108264.db2.gz DHFSZQZUKZMMGA-LJQANCHMSA-N 1 1 315.461 3.534 20 30 DHEDMO Cc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)c(-c2ccnn2C)c1 ZINC000338946860 1022132479 /nfs/dbraw/zinc/13/24/79/1022132479.db2.gz MOQWFYOSUNQQPX-HNNXBMFYSA-N 1 1 308.429 3.520 20 30 DHEDMO C#CCC[N@@H+](CCOC)Cc1nc2ccccc2c(C)c1Cl ZINC000852752642 1022172324 /nfs/dbraw/zinc/17/23/24/1022172324.db2.gz GETDTOASULYIES-UHFFFAOYSA-N 1 1 316.832 3.668 20 30 DHEDMO C#CCC[N@H+](CCOC)Cc1nc2ccccc2c(C)c1Cl ZINC000852752642 1022172326 /nfs/dbraw/zinc/17/23/26/1022172326.db2.gz GETDTOASULYIES-UHFFFAOYSA-N 1 1 316.832 3.668 20 30 DHEDMO C#CCCOc1ccc(CNc2[nH+]c3ccc(F)cc3n2C)cc1 ZINC000766521767 1022174232 /nfs/dbraw/zinc/17/42/32/1022174232.db2.gz UEFIIGHMRNBFHS-UHFFFAOYSA-N 1 1 323.371 3.727 20 30 DHEDMO C=C[C@@H](CC(=O)NC(C)(C)C[N@H+](C)CCC)c1ccccc1 ZINC000620622933 1022205192 /nfs/dbraw/zinc/20/51/92/1022205192.db2.gz AKCLTLHELGFOQN-INIZCTEOSA-N 1 1 302.462 3.583 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000153658213 1022234147 /nfs/dbraw/zinc/23/41/47/1022234147.db2.gz IWSXGYFQPQWSPY-CQSZACIVSA-N 1 1 306.425 3.525 20 30 DHEDMO C[C@@H]1CC[N@H+](Cc2cc(C#N)c(F)cc2F)CCC1(F)F ZINC001237526155 1022246542 /nfs/dbraw/zinc/24/65/42/1022246542.db2.gz ZMPRQXQBXFTBJN-SNVBAGLBSA-N 1 1 300.299 3.704 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)c(F)cc2F)CCC1(F)F ZINC001237526155 1022246545 /nfs/dbraw/zinc/24/65/45/1022246545.db2.gz ZMPRQXQBXFTBJN-SNVBAGLBSA-N 1 1 300.299 3.704 20 30 DHEDMO C#Cc1cccnc1NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000853375260 1022264754 /nfs/dbraw/zinc/26/47/54/1022264754.db2.gz IDAWUMSQSLNBIU-WBVHZDCISA-N 1 1 311.454 3.619 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(CNc2ccc(C#N)c([N+](=O)[O-])c2)c1 ZINC000290721687 1022265200 /nfs/dbraw/zinc/26/52/00/1022265200.db2.gz YZKZQZQSXYNTPJ-UHFFFAOYSA-N 1 1 324.384 3.530 20 30 DHEDMO C=CC[N@@H+](Cn1ccc(=S)c2ccccc21)[C@@H](C)COC ZINC000853532567 1022285995 /nfs/dbraw/zinc/28/59/95/1022285995.db2.gz HGRFGSDXCODNSE-AWEZNQCLSA-N 1 1 302.443 3.851 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@@H](CCF)C2)c1O ZINC000853563762 1022292617 /nfs/dbraw/zinc/29/26/17/1022292617.db2.gz DDZTWSATODDDLJ-AWEZNQCLSA-N 1 1 307.409 3.701 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1 ZINC000853598835 1022297316 /nfs/dbraw/zinc/29/73/16/1022297316.db2.gz XHIWHBYWXBVVON-OTWHNJEPSA-N 1 1 322.452 3.881 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000609672472 1022327412 /nfs/dbraw/zinc/32/74/12/1022327412.db2.gz CDYAUUCBAPRGGS-APWZRJJASA-N 1 1 306.409 3.815 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000609822901 1022360273 /nfs/dbraw/zinc/36/02/73/1022360273.db2.gz QJAGGJKWBIGKAF-AWEZNQCLSA-N 1 1 310.397 3.768 20 30 DHEDMO Cc1nccc([C@@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000609822914 1022361452 /nfs/dbraw/zinc/36/14/52/1022361452.db2.gz RAKUPVSHQAZGOE-RDTXWAMCSA-N 1 1 306.413 3.597 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000609916553 1022381909 /nfs/dbraw/zinc/38/19/09/1022381909.db2.gz XPDFYGRKSKBWSA-INIZCTEOSA-N 1 1 312.363 3.901 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000183783672 1022392375 /nfs/dbraw/zinc/39/23/75/1022392375.db2.gz OBXHWFNTXUUGPJ-LBPRGKRZSA-N 1 1 312.816 3.554 20 30 DHEDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000610004523 1022401495 /nfs/dbraw/zinc/40/14/95/1022401495.db2.gz ODOSCABSOPNBMQ-AWEZNQCLSA-N 1 1 310.372 3.695 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001169540646 1022444261 /nfs/dbraw/zinc/44/42/61/1022444261.db2.gz NPRBDHBBXMFLRT-ILZDJORESA-N 1 1 314.473 3.616 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000179620812 1022495231 /nfs/dbraw/zinc/49/52/31/1022495231.db2.gz GKUJAQYTRXMKDI-JSGCOSHPSA-N 1 1 312.335 3.752 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC001169732641 1022526055 /nfs/dbraw/zinc/52/60/55/1022526055.db2.gz IBHQOGAAFQIADQ-INIZCTEOSA-N 1 1 310.482 3.970 20 30 DHEDMO C#CCCC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000766901031 1022599589 /nfs/dbraw/zinc/59/95/89/1022599589.db2.gz IXZYPWZMFXPNHB-UHFFFAOYSA-N 1 1 300.229 3.591 20 30 DHEDMO C=C[C@@H](CC(=O)NCC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000158970188 1022678902 /nfs/dbraw/zinc/67/89/02/1022678902.db2.gz LZNCOOSBNVPPBF-IBGZPJMESA-N 1 1 322.452 3.595 20 30 DHEDMO Cc1ccc(N=NC2C[C@H](C)C[N@H+](Cc3ccccc3)C2)nc1 ZINC000767376514 1022702446 /nfs/dbraw/zinc/70/24/46/1022702446.db2.gz DNCFUBGKEBMQIT-INIZCTEOSA-N 1 1 308.429 3.700 20 30 DHEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cn2)C12CCCCC2 ZINC000584756941 1022710949 /nfs/dbraw/zinc/71/09/49/1022710949.db2.gz DVKYPZNFWCIXKS-ROUUACIJSA-N 1 1 313.445 3.513 20 30 DHEDMO CCOC[C@@]12CCC[C@@H]1C[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172305459 1033075909 /nfs/dbraw/zinc/07/59/09/1033075909.db2.gz SPXJHCOYAZIPMY-DBVUQKKJSA-N 1 1 312.457 3.628 20 30 DHEDMO COc1ccc([C@@H]2CC[N@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)cc1 ZINC001172310816 1033078872 /nfs/dbraw/zinc/07/88/72/1033078872.db2.gz JMPXQGISEMHTNR-OXQOHEQNSA-N 1 1 320.436 3.987 20 30 DHEDMO COc1ccc2c(c1)C[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)CCC2 ZINC001172313082 1033080787 /nfs/dbraw/zinc/08/07/87/1033080787.db2.gz OQQKJPOJIQIZRK-INIZCTEOSA-N 1 1 320.436 3.946 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000538501847 1033081331 /nfs/dbraw/zinc/08/13/31/1033081331.db2.gz IZGYIZPHWIGCIL-CZUORRHYSA-N 1 1 323.868 3.597 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001172313181 1033081739 /nfs/dbraw/zinc/08/17/39/1033081739.db2.gz QXGQZRYMFKCDHO-XGHQBKJUSA-N 1 1 320.436 3.951 20 30 DHEDMO COc1cccc([C@@H]2CC[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)c1 ZINC001172312907 1033082055 /nfs/dbraw/zinc/08/20/55/1033082055.db2.gz LUOVFKDEETTXFW-OXJNMPFZSA-N 1 1 320.436 3.987 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC(=O)[C@@H](C)C12CCCC2 ZINC001172317794 1033084625 /nfs/dbraw/zinc/08/46/25/1033084625.db2.gz UQDOQNHUMYAPQG-JKSUJKDBSA-N 1 1 310.441 3.713 20 30 DHEDMO CSC[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000767906429 1022841894 /nfs/dbraw/zinc/84/18/94/1022841894.db2.gz NOCGKNZKFAOEJC-AWEZNQCLSA-N 1 1 310.850 3.570 20 30 DHEDMO COc1ccc(CC[N@@H+](C)[C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172321092 1033085428 /nfs/dbraw/zinc/08/54/28/1033085428.db2.gz YOAAYKIYMPTBGF-MRXNPFEDSA-N 1 1 308.425 3.672 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1cc(OC)ns1)c1ccc(F)c(F)c1 ZINC000660311334 1022893722 /nfs/dbraw/zinc/89/37/22/1022893722.db2.gz GEAPEGBMCFALTH-OAHLLOKOSA-N 1 1 310.369 3.837 20 30 DHEDMO N#Cc1cc(Cl)cc(C[NH+]2CCC3(CCCC3=O)CC2)c1 ZINC000931038091 1022925585 /nfs/dbraw/zinc/92/55/85/1022925585.db2.gz KSNSWAFYGSMPOH-UHFFFAOYSA-N 1 1 302.805 3.547 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000768237934 1022933811 /nfs/dbraw/zinc/93/38/11/1022933811.db2.gz NZCLKSUDAIGMQW-OXQOHEQNSA-N 1 1 322.408 3.551 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000768237934 1022933825 /nfs/dbraw/zinc/93/38/25/1022933825.db2.gz NZCLKSUDAIGMQW-OXQOHEQNSA-N 1 1 322.408 3.551 20 30 DHEDMO C=CC1CCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857120735 1022951248 /nfs/dbraw/zinc/95/12/48/1022951248.db2.gz NMFRODOXDFYUJX-IBGZPJMESA-N 1 1 312.457 3.534 20 30 DHEDMO N#CC1(C[NH2+]Cc2ccc(Br)c(Cl)c2)CCC1 ZINC000418144380 1022968942 /nfs/dbraw/zinc/96/89/42/1022968942.db2.gz TUDOOKPRFDLWIO-UHFFFAOYSA-N 1 1 313.626 3.886 20 30 DHEDMO CCCC[N@H+](C)c1ccc(NC[C@@H](O)CC(C)(C)C#N)cc1 ZINC000857238107 1022974724 /nfs/dbraw/zinc/97/47/24/1022974724.db2.gz DFGVIPCGXGPRFD-KRWDZBQOSA-N 1 1 303.450 3.636 20 30 DHEDMO CCCC[N@@H+](C)c1ccc(NC[C@@H](O)CC(C)(C)C#N)cc1 ZINC000857238107 1022974741 /nfs/dbraw/zinc/97/47/41/1022974741.db2.gz DFGVIPCGXGPRFD-KRWDZBQOSA-N 1 1 303.450 3.636 20 30 DHEDMO C=CC[N@H+](Cc1cc(Br)c(OC)s1)C(C)C ZINC000768547768 1022995261 /nfs/dbraw/zinc/99/52/61/1022995261.db2.gz OPEXOBUBEFAYTF-UHFFFAOYSA-N 1 1 304.253 3.916 20 30 DHEDMO CCCC[NH+](CCCC)CCN[C@H](C)Cc1ccc(C#N)cc1 ZINC001172294709 1033098672 /nfs/dbraw/zinc/09/86/72/1033098672.db2.gz KKFWMBVTBMJPLT-GOSISDBHSA-N 1 1 315.505 3.981 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(C(F)(F)F)ccc2C)no1 ZINC001212325551 1023004219 /nfs/dbraw/zinc/00/42/19/1023004219.db2.gz UOWKZJPBHHQRRL-ZDUSSCGKSA-N 1 1 323.318 3.867 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2C)no1 ZINC001212325649 1023004415 /nfs/dbraw/zinc/00/44/15/1023004415.db2.gz ZFGMPOCTSHCBRA-ZDUSSCGKSA-N 1 1 323.318 3.867 20 30 DHEDMO Cc1cc(Cl)c(C#N)c(NCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC001167751615 1023029055 /nfs/dbraw/zinc/02/90/55/1023029055.db2.gz MKVRRLDQQIIJAA-ZDUSSCGKSA-N 1 1 306.841 3.592 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000876598898 1033100853 /nfs/dbraw/zinc/10/08/53/1033100853.db2.gz RDWDQJLNGVWFBQ-OAGGEKHMSA-N 1 1 323.481 3.694 20 30 DHEDMO CC[N@@H+](Cc1sc2nc(C)nc(C)c2c1C)C[C@@H](C)C#N ZINC000768882253 1023047343 /nfs/dbraw/zinc/04/73/43/1023047343.db2.gz RQSZJEMMUJFSIT-JTQLQIEISA-N 1 1 302.447 3.598 20 30 DHEDMO CC[N@H+](Cc1sc2nc(C)nc(C)c2c1C)C[C@@H](C)C#N ZINC000768882253 1023047349 /nfs/dbraw/zinc/04/73/49/1023047349.db2.gz RQSZJEMMUJFSIT-JTQLQIEISA-N 1 1 302.447 3.598 20 30 DHEDMO C#CCOc1ccccc1C[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000769106637 1023084998 /nfs/dbraw/zinc/08/49/98/1023084998.db2.gz RXTPEBRJVZAIGW-UTKZUKDTSA-N 1 1 321.420 3.661 20 30 DHEDMO C#CCOc1ccccc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000769106637 1023085005 /nfs/dbraw/zinc/08/50/05/1023085005.db2.gz RXTPEBRJVZAIGW-UTKZUKDTSA-N 1 1 321.420 3.661 20 30 DHEDMO C#CC[N@@H+](Cc1cnc(-c2ccncc2)s1)C1CCCCC1 ZINC000769146062 1023089348 /nfs/dbraw/zinc/08/93/48/1023089348.db2.gz MYYKEPMLIDBTIL-UHFFFAOYSA-N 1 1 311.454 3.973 20 30 DHEDMO C=CC[N@H+](Cc1ccc2c(c1)COC2)Cc1cccc([N+](=O)[O-])c1 ZINC000769186235 1023098722 /nfs/dbraw/zinc/09/87/22/1023098722.db2.gz GTYGVMYPAWRBLF-UHFFFAOYSA-N 1 1 324.380 3.813 20 30 DHEDMO C=CC[N@@H+](Cc1ccc2c(c1)COC2)Cc1cccc([N+](=O)[O-])c1 ZINC000769186235 1023098734 /nfs/dbraw/zinc/09/87/34/1023098734.db2.gz GTYGVMYPAWRBLF-UHFFFAOYSA-N 1 1 324.380 3.813 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000769485279 1023152834 /nfs/dbraw/zinc/15/28/34/1023152834.db2.gz MLJNYVRTAXAIIY-LBPRGKRZSA-N 1 1 310.319 3.672 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000769485279 1023152837 /nfs/dbraw/zinc/15/28/37/1023152837.db2.gz MLJNYVRTAXAIIY-LBPRGKRZSA-N 1 1 310.319 3.672 20 30 DHEDMO C#CC[N@@H+](Cc1cccc(Br)c1O)C1CCCC1 ZINC000769531519 1023173719 /nfs/dbraw/zinc/17/37/19/1023173719.db2.gz SZICUGNHZDNRDA-UHFFFAOYSA-N 1 1 308.219 3.533 20 30 DHEDMO C#CC[N@H+](Cc1cccc(Br)c1O)C1CCCC1 ZINC000769531519 1023173726 /nfs/dbraw/zinc/17/37/26/1023173726.db2.gz SZICUGNHZDNRDA-UHFFFAOYSA-N 1 1 308.219 3.533 20 30 DHEDMO Cc1[nH+]ccn1CCCCNc1ccc2cc(C#N)ccc2n1 ZINC000092915990 1023212334 /nfs/dbraw/zinc/21/23/34/1023212334.db2.gz BJSRMXUFUVXVTM-UHFFFAOYSA-N 1 1 305.385 3.504 20 30 DHEDMO C#CC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1CC1 ZINC000769792837 1023215962 /nfs/dbraw/zinc/21/59/62/1023215962.db2.gz APPQXLXNCCRHJD-UHFFFAOYSA-N 1 1 314.432 3.984 20 30 DHEDMO CCC[N@H+](Cc1ccccc1O)Cc1cc(C#N)cnc1Cl ZINC000876654550 1033114283 /nfs/dbraw/zinc/11/42/83/1033114283.db2.gz IQSMUECYSXLINP-UHFFFAOYSA-N 1 1 315.804 3.724 20 30 DHEDMO CCC[N@@H+](Cc1ccccc1O)Cc1cc(C#N)cnc1Cl ZINC000876654550 1033114288 /nfs/dbraw/zinc/11/42/88/1033114288.db2.gz IQSMUECYSXLINP-UHFFFAOYSA-N 1 1 315.804 3.724 20 30 DHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CC[C@H](C)[C@H](C)C1)C2 ZINC001172378924 1033115580 /nfs/dbraw/zinc/11/55/80/1033115580.db2.gz QIBLUGUJVACGKY-BRIYLRKRSA-N 1 1 307.478 3.637 20 30 DHEDMO C=CC[C@H]1[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1(C)C ZINC000769953453 1023244623 /nfs/dbraw/zinc/24/46/23/1023244623.db2.gz NBCIVZJCJCIIET-IAGOWNOFSA-N 1 1 318.417 3.695 20 30 DHEDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1)Cc1ccc(C#N)cc1 ZINC000337653988 1033121539 /nfs/dbraw/zinc/12/15/39/1033121539.db2.gz GHTRSAQSMHYOSS-UHFFFAOYSA-N 1 1 321.424 3.797 20 30 DHEDMO C#CCOc1ccccc1C[NH2+][C@@H]1COc2c1ccc(C)c2C ZINC000770429153 1023310829 /nfs/dbraw/zinc/31/08/29/1023310829.db2.gz FNWFNADGMAJTOL-GOSISDBHSA-N 1 1 307.393 3.539 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000829810893 1023390516 /nfs/dbraw/zinc/39/05/16/1023390516.db2.gz VWACAZSEAVIUDG-NSHDSACASA-N 1 1 302.365 3.706 20 30 DHEDMO CCS[C@@H]1CCCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876731461 1033129718 /nfs/dbraw/zinc/12/97/18/1033129718.db2.gz QVVINRFUSVNSOZ-CQSZACIVSA-N 1 1 309.866 3.714 20 30 DHEDMO CCS[C@@H]1CCCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876731461 1033129723 /nfs/dbraw/zinc/12/97/23/1033129723.db2.gz QVVINRFUSVNSOZ-CQSZACIVSA-N 1 1 309.866 3.714 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000876724733 1033129777 /nfs/dbraw/zinc/12/97/77/1033129777.db2.gz HAHJDYXNZZSFMX-CQSZACIVSA-N 1 1 315.779 3.735 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000876724733 1033129785 /nfs/dbraw/zinc/12/97/85/1033129785.db2.gz HAHJDYXNZZSFMX-CQSZACIVSA-N 1 1 315.779 3.735 20 30 DHEDMO C=CC[C@H]1CC[C@H](Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000651658769 1023427287 /nfs/dbraw/zinc/42/72/87/1023427287.db2.gz HTNKXUFFHUHUQO-LPHOPBHVSA-N 1 1 300.446 3.676 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000876738433 1033132862 /nfs/dbraw/zinc/13/28/62/1033132862.db2.gz DKLOIAUBQLOMMQ-PMPSAXMXSA-N 1 1 323.481 3.551 20 30 DHEDMO C=CC[NH+]1CCC(N[C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651700694 1023479103 /nfs/dbraw/zinc/47/91/03/1023479103.db2.gz PHNXNBMYLSYQND-OAHLLOKOSA-N 1 1 308.828 3.706 20 30 DHEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H]2c2c(C)cccc2C)nn1 ZINC000661135714 1023493964 /nfs/dbraw/zinc/49/39/64/1023493964.db2.gz FTBUDZJKEKMRKH-SFHVURJKSA-N 1 1 310.445 3.808 20 30 DHEDMO C=CC[N@H+](Cc1nc(-c2ccccc2)cs1)[C@H](C)COC ZINC000661240263 1023536801 /nfs/dbraw/zinc/53/68/01/1023536801.db2.gz MGUHCSWTLJDWEW-CQSZACIVSA-N 1 1 302.443 3.833 20 30 DHEDMO C=CC[N@@H+](Cc1nc(-c2ccccc2)cs1)[C@H](C)COC ZINC000661240263 1023536808 /nfs/dbraw/zinc/53/68/08/1023536808.db2.gz MGUHCSWTLJDWEW-CQSZACIVSA-N 1 1 302.443 3.833 20 30 DHEDMO CCCCCCC[C@H](CC)[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001172362155 1033140863 /nfs/dbraw/zinc/14/08/63/1033140863.db2.gz SSSCEZFJDHUBFV-JKSUJKDBSA-N 1 1 303.512 3.635 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000661383227 1023582933 /nfs/dbraw/zinc/58/29/33/1023582933.db2.gz ZLEXECDQWFZRNS-GFCCVEGCSA-N 1 1 317.820 3.777 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000661383227 1023582942 /nfs/dbraw/zinc/58/29/42/1023582942.db2.gz ZLEXECDQWFZRNS-GFCCVEGCSA-N 1 1 317.820 3.777 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(F)cc2F)C1 ZINC000661378783 1023583486 /nfs/dbraw/zinc/58/34/86/1023583486.db2.gz MAEPFYBUYYTICL-OLZOCXBDSA-N 1 1 308.372 3.580 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(F)cc2F)C1 ZINC000661378783 1023583487 /nfs/dbraw/zinc/58/34/87/1023583487.db2.gz MAEPFYBUYYTICL-OLZOCXBDSA-N 1 1 308.372 3.580 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2Cl)C1 ZINC000661380101 1023584813 /nfs/dbraw/zinc/58/48/13/1023584813.db2.gz DZIURQFXMCXUQG-AWEZNQCLSA-N 1 1 306.837 3.875 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2Cl)C1 ZINC000661380101 1023584817 /nfs/dbraw/zinc/58/48/17/1023584817.db2.gz DZIURQFXMCXUQG-AWEZNQCLSA-N 1 1 306.837 3.875 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000661379804 1023584983 /nfs/dbraw/zinc/58/49/83/1023584983.db2.gz IPCMNTLPKPAQSJ-GDBMZVCRSA-N 1 1 314.429 3.504 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000661379804 1023584986 /nfs/dbraw/zinc/58/49/86/1023584986.db2.gz IPCMNTLPKPAQSJ-GDBMZVCRSA-N 1 1 314.429 3.504 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(F)ccc2F)C1 ZINC000661378700 1023585173 /nfs/dbraw/zinc/58/51/73/1023585173.db2.gz KPSNOKPRIIBCSQ-CHWSQXEVSA-N 1 1 308.372 3.580 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(F)ccc2F)C1 ZINC000661378700 1023585176 /nfs/dbraw/zinc/58/51/76/1023585176.db2.gz KPSNOKPRIIBCSQ-CHWSQXEVSA-N 1 1 308.372 3.580 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1occc1Br ZINC000785616464 1023599445 /nfs/dbraw/zinc/59/94/45/1023599445.db2.gz CBCPLNYEYDEQFU-CQSZACIVSA-N 1 1 317.186 3.691 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(Cl)n1 ZINC000075643617 1023628290 /nfs/dbraw/zinc/62/82/90/1023628290.db2.gz KLFKAYBYAFZZRJ-UHFFFAOYSA-N 1 1 302.805 3.932 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(Cl)n1 ZINC000075643617 1023628294 /nfs/dbraw/zinc/62/82/94/1023628294.db2.gz KLFKAYBYAFZZRJ-UHFFFAOYSA-N 1 1 302.805 3.932 20 30 DHEDMO C=CCOCc1ncn2c1C[N@@H+]([C@@H]1CC[C@H](C)[C@@H](C)C1)CCC2 ZINC001172370925 1033151403 /nfs/dbraw/zinc/15/14/03/1033151403.db2.gz COQNCLFQFDBTEN-YESZJQIVSA-N 1 1 317.477 3.616 20 30 DHEDMO C=CC[N@H+](Cc1ccc(S(C)(=O)=O)cc1)CC1CCCCC1 ZINC000538731096 1033154107 /nfs/dbraw/zinc/15/41/07/1033154107.db2.gz YIZFWIAGOAXMDK-UHFFFAOYSA-N 1 1 321.486 3.658 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)Cc1ccc(Cl)s1)C(C)(C)C ZINC000661754719 1023729286 /nfs/dbraw/zinc/72/92/86/1023729286.db2.gz BWBHBAPIEBBJDX-UHFFFAOYSA-N 1 1 314.882 3.646 20 30 DHEDMO C=C(Cl)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000746657712 1023767938 /nfs/dbraw/zinc/76/79/38/1023767938.db2.gz HENDUOPZQHLAQU-UHFFFAOYSA-N 1 1 321.827 3.843 20 30 DHEDMO Cc1cc(F)ccc1[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000746663055 1023774648 /nfs/dbraw/zinc/77/46/48/1023774648.db2.gz NASQSYQIEYMVMT-FQEVSTJZSA-N 1 1 324.399 3.704 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@@H](C)CCCC(C)C)C2)C1=O ZINC001170076787 1023811817 /nfs/dbraw/zinc/81/18/17/1023811817.db2.gz BCZWZLLZUWRWFS-PKOBYXMFSA-N 1 1 306.494 3.702 20 30 DHEDMO COc1ccc(CNc2cc[nH+]c3ccc(Cl)cc23)cc1C#N ZINC000746709662 1023829488 /nfs/dbraw/zinc/82/94/88/1023829488.db2.gz DZNSRRAYLVDCRF-UHFFFAOYSA-N 1 1 323.783 3.802 20 30 DHEDMO C#CCC1(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCCCC1 ZINC000788174641 1023858286 /nfs/dbraw/zinc/85/82/86/1023858286.db2.gz JIUOJSUIIXOXAN-QGZVFWFLSA-N 1 1 318.505 3.587 20 30 DHEDMO COc1ccc(C[NH2+]Cc2ccc(F)cc2Cl)cc1C#N ZINC000746740749 1023868916 /nfs/dbraw/zinc/86/89/16/1023868916.db2.gz HLXQNGYLDWVILQ-UHFFFAOYSA-N 1 1 304.752 3.649 20 30 DHEDMO Cc1cc([NH2+]C[C@@H](C)CCC#N)ccc1N1CCSCC1 ZINC000876855663 1033168407 /nfs/dbraw/zinc/16/84/07/1033168407.db2.gz YQUMHDSQSJPDSD-AWEZNQCLSA-N 1 1 303.475 3.900 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1ccccc1OCC ZINC000662078829 1023886993 /nfs/dbraw/zinc/88/69/93/1023886993.db2.gz CONILNOMTGZCHI-OAGGEKHMSA-N 1 1 314.429 3.595 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000662078828 1023887882 /nfs/dbraw/zinc/88/78/82/1023887882.db2.gz CONILNOMTGZCHI-HRCADAONSA-N 1 1 314.429 3.595 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1sc(C)c(C)c1C ZINC000662085051 1023892875 /nfs/dbraw/zinc/89/28/75/1023892875.db2.gz ZSQSVQOHUBSZPM-GASCZTMLSA-N 1 1 304.459 3.795 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000662090874 1023898163 /nfs/dbraw/zinc/89/81/63/1023898163.db2.gz TYIDZAOMNYKEKD-IYBDPMFKSA-N 1 1 315.367 3.834 20 30 DHEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000248743875 1023915349 /nfs/dbraw/zinc/91/53/49/1023915349.db2.gz QXLGVMSKYQDTAD-BEFAXECRSA-N 1 1 314.429 3.530 20 30 DHEDMO C=CCCOCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788685739 1023920559 /nfs/dbraw/zinc/92/05/59/1023920559.db2.gz KTNFHXJMZSLRQT-NSHDSACASA-N 1 1 303.324 3.654 20 30 DHEDMO N#Cc1cccc(C2([NH2+][C@@H]3CCc4ccc(Cl)nc43)CC2)c1 ZINC000788827232 1023942030 /nfs/dbraw/zinc/94/20/30/1023942030.db2.gz KLFREITZSLHJOI-OAHLLOKOSA-N 1 1 309.800 3.873 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc2c1OCO2 ZINC000093872229 1023942377 /nfs/dbraw/zinc/94/23/77/1023942377.db2.gz GLEYTPJTUCPELF-QZTJIDSGSA-N 1 1 320.392 3.687 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc2c1OCO2 ZINC000093872229 1023942382 /nfs/dbraw/zinc/94/23/82/1023942382.db2.gz GLEYTPJTUCPELF-QZTJIDSGSA-N 1 1 320.392 3.687 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859585760 1033176198 /nfs/dbraw/zinc/17/61/98/1033176198.db2.gz BZGWCHXUGOQAHC-OXJNMPFZSA-N 1 1 306.409 3.603 20 30 DHEDMO C=CCC1(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CCCCC1 ZINC000452119852 1023971051 /nfs/dbraw/zinc/97/10/51/1023971051.db2.gz HTEIFLCDNFBNPB-FGTMMUONSA-N 1 1 318.505 3.702 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)[C@H](c2ccccc2)CO1 ZINC000266568068 1024042936 /nfs/dbraw/zinc/04/29/36/1024042936.db2.gz ORZWSKSTXHXFLK-UZLBHIALSA-N 1 1 322.408 3.551 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)[C@H](c2ccccc2)CO1 ZINC000266568068 1024042954 /nfs/dbraw/zinc/04/29/54/1024042954.db2.gz ORZWSKSTXHXFLK-UZLBHIALSA-N 1 1 322.408 3.551 20 30 DHEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000266930432 1024046591 /nfs/dbraw/zinc/04/65/91/1024046591.db2.gz LYMQFQIAVUGQKG-IBGZPJMESA-N 1 1 309.413 3.655 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](CC)CC(C)C)CC2 ZINC001172397294 1033180659 /nfs/dbraw/zinc/18/06/59/1033180659.db2.gz KWWVXVKULYLXSN-MJGOQNOKSA-N 1 1 306.494 3.844 20 30 DHEDMO N#CCCCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000268323285 1024100923 /nfs/dbraw/zinc/10/09/23/1024100923.db2.gz LLNMRXHGICDSEW-GOSISDBHSA-N 1 1 314.454 3.978 20 30 DHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3csc(C#N)c3)cc2)c1C ZINC001274418171 1024107551 /nfs/dbraw/zinc/10/75/51/1024107551.db2.gz XRUIUROAIVKMKO-UHFFFAOYSA-N 1 1 322.393 3.675 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000268638916 1024135141 /nfs/dbraw/zinc/13/51/41/1024135141.db2.gz DBHALXADFSDAOV-MSOLQXFVSA-N 1 1 312.800 3.692 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCCC[C@H]2c2ccco2)cc1 ZINC000268649580 1024138331 /nfs/dbraw/zinc/13/83/31/1024138331.db2.gz GHJMFFJVGYMKHB-ROUUACIJSA-N 1 1 310.397 3.802 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(CC#N)cc1Cl ZINC000452654883 1024147961 /nfs/dbraw/zinc/14/79/61/1024147961.db2.gz RKERIDZOPHIVNH-CYBMUJFWSA-N 1 1 319.836 3.609 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000269641668 1024299344 /nfs/dbraw/zinc/29/93/44/1024299344.db2.gz JYYUWCDQMQCXOX-WOJBJXKFSA-N 1 1 324.399 3.785 20 30 DHEDMO C=CCC[C@H](COc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000883227479 1024303058 /nfs/dbraw/zinc/30/30/58/1024303058.db2.gz RMOXADFXRWDMIR-MVCQKVDPSA-N 1 1 314.473 3.615 20 30 DHEDMO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876994833 1033202986 /nfs/dbraw/zinc/20/29/86/1033202986.db2.gz QAMCLZIXQRLKFN-OAHLLOKOSA-N 1 1 313.788 3.529 20 30 DHEDMO C=CC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccncc1 ZINC000790964718 1024406543 /nfs/dbraw/zinc/40/65/43/1024406543.db2.gz GSASAWJXHJPTDW-AWEZNQCLSA-N 1 1 306.768 3.987 20 30 DHEDMO C=CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000302740879 1024411523 /nfs/dbraw/zinc/41/15/23/1024411523.db2.gz KBOGWYQBHJOCHJ-HXUWFJFHSA-N 1 1 309.409 3.837 20 30 DHEDMO CN1CCC([N@@H+](Cc2ccccc2)Cc2cccc(C#N)c2)CC1 ZINC000270645315 1024411602 /nfs/dbraw/zinc/41/16/02/1024411602.db2.gz KNTUUVJRPRUWMB-UHFFFAOYSA-N 1 1 319.452 3.655 20 30 DHEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001253233384 1024445427 /nfs/dbraw/zinc/44/54/27/1024445427.db2.gz DBMPMOAHGVMTFX-GJZGRUSLSA-N 1 1 307.400 3.943 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)s1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000271192952 1024467927 /nfs/dbraw/zinc/46/79/27/1024467927.db2.gz MOQAOBYIVQWHJG-XHSDSOJGSA-N 1 1 304.459 3.645 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000453352260 1024476811 /nfs/dbraw/zinc/47/68/11/1024476811.db2.gz HLAWFQFJTHWXCS-PMACEKPBSA-N 1 1 310.441 3.828 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(CNc2nc(C)cc(C)c2C#N)c1 ZINC000350710686 1024489206 /nfs/dbraw/zinc/48/92/06/1024489206.db2.gz AEVWRLCBUWXGBL-UHFFFAOYSA-N 1 1 308.429 3.634 20 30 DHEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2)CC2(O)CCCC2)c1 ZINC000532144776 1024563937 /nfs/dbraw/zinc/56/39/37/1024563937.db2.gz KMGACNZBXJJQEA-UHFFFAOYSA-N 1 1 320.436 3.866 20 30 DHEDMO N#CCCOCC[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000339186825 1024578141 /nfs/dbraw/zinc/57/81/41/1024578141.db2.gz VPRQBKPZHQYPHM-UHFFFAOYSA-N 1 1 310.800 3.621 20 30 DHEDMO C[C@@H](CCCC#N)[NH+]1CCC(N)(c2ccc(Cl)cc2)CC1 ZINC001172494330 1033224974 /nfs/dbraw/zinc/22/49/74/1033224974.db2.gz YYEMLBHHAHDFNM-AWEZNQCLSA-N 1 1 305.853 3.672 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1OC ZINC000348895772 1024643234 /nfs/dbraw/zinc/64/32/34/1024643234.db2.gz RXPGVOKCYADCFF-SFHVURJKSA-N 1 1 324.424 3.992 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc(OC)c1O ZINC000348906548 1024646731 /nfs/dbraw/zinc/64/67/31/1024646731.db2.gz UFKPDGRVATZQKB-GOSISDBHSA-N 1 1 324.424 3.861 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)[C@H]1C ZINC001172492352 1033226700 /nfs/dbraw/zinc/22/67/00/1033226700.db2.gz KIBXAVDDUYCGBR-BZUAXINKSA-N 1 1 323.481 3.694 20 30 DHEDMO N#Cc1cccc([C@@H](O)C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC001170204542 1024688714 /nfs/dbraw/zinc/68/87/14/1024688714.db2.gz DCNOULQGQZCWHL-ROUUACIJSA-N 1 1 312.800 3.692 20 30 DHEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC001170204542 1024688720 /nfs/dbraw/zinc/68/87/20/1024688720.db2.gz DCNOULQGQZCWHL-ROUUACIJSA-N 1 1 312.800 3.692 20 30 DHEDMO Cc1cc(C[N@@H+](Cc2ccco2)C2CCN(C)CC2)ccc1C#N ZINC000349270849 1024693231 /nfs/dbraw/zinc/69/32/31/1024693231.db2.gz AHIFZWOQYDFTTB-UHFFFAOYSA-N 1 1 323.440 3.556 20 30 DHEDMO Cc1cc(C[N@H+](Cc2ccco2)C2CCN(C)CC2)ccc1C#N ZINC000349270849 1024693242 /nfs/dbraw/zinc/69/32/42/1024693242.db2.gz AHIFZWOQYDFTTB-UHFFFAOYSA-N 1 1 323.440 3.556 20 30 DHEDMO C[C@@H](CCCC#N)[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001172499492 1033229727 /nfs/dbraw/zinc/22/97/27/1033229727.db2.gz DNZOZUKKUBLEMN-ICSRJNTNSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001172499492 1033229739 /nfs/dbraw/zinc/22/97/39/1033229739.db2.gz DNZOZUKKUBLEMN-ICSRJNTNSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001172498338 1033229833 /nfs/dbraw/zinc/22/98/33/1033229833.db2.gz LTLHCXOLNSANSV-SOUVJXGZSA-N 1 1 306.413 3.599 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@@H+]2Cc2csc(C#N)c2)o1 ZINC000893641694 1024751434 /nfs/dbraw/zinc/75/14/34/1024751434.db2.gz IVEDCUNCCRKZNY-OAHLLOKOSA-N 1 1 302.399 3.696 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2csc(C#N)c2)o1 ZINC000893641694 1024751450 /nfs/dbraw/zinc/75/14/50/1024751450.db2.gz IVEDCUNCCRKZNY-OAHLLOKOSA-N 1 1 302.399 3.696 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC3(C2)CCOCC3)CC1 ZINC001170386217 1024759793 /nfs/dbraw/zinc/75/97/93/1024759793.db2.gz BRUKQTCKZHMPLP-UHFFFAOYSA-N 1 1 324.468 3.893 20 30 DHEDMO N#CC1(c2ccccc2)CCC(N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC001170387661 1024761419 /nfs/dbraw/zinc/76/14/19/1024761419.db2.gz ZFZODEDTCBERIB-NYLDSWQDSA-N 1 1 323.484 3.561 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@@H+]2CCN3CCCC[C@@H]3C2)CC1 ZINC001170387661 1024761429 /nfs/dbraw/zinc/76/14/29/1024761429.db2.gz ZFZODEDTCBERIB-NYLDSWQDSA-N 1 1 323.484 3.561 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCN3CCCC[C@@H]3C2)CC1 ZINC001170387661 1024761437 /nfs/dbraw/zinc/76/14/37/1024761437.db2.gz ZFZODEDTCBERIB-NYLDSWQDSA-N 1 1 323.484 3.561 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@H](N3CCCC3)C2)CC1 ZINC001170389236 1024761759 /nfs/dbraw/zinc/76/17/59/1024761759.db2.gz NXFPYKPVZSLJRE-KBWCOIMZSA-N 1 1 323.484 3.561 20 30 DHEDMO N#CC1(c2ccccc2)CCC(N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC001170389236 1024761768 /nfs/dbraw/zinc/76/17/68/1024761768.db2.gz NXFPYKPVZSLJRE-KBWCOIMZSA-N 1 1 323.484 3.561 20 30 DHEDMO CC(C)O[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170396327 1024762940 /nfs/dbraw/zinc/76/29/40/1024762940.db2.gz XZTIJTYSWKFHCS-IOJLRTSASA-N 1 1 312.457 3.890 20 30 DHEDMO COc1cccc([C@@H]2CSCC[N@H+]2[C@H](C)CCCC#N)c1 ZINC001172509657 1033238881 /nfs/dbraw/zinc/23/88/81/1033238881.db2.gz NJJIPURCQSMHEU-PBHICJAKSA-N 1 1 304.459 3.867 20 30 DHEDMO CC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H](C)CCCC#N ZINC001172508000 1033238994 /nfs/dbraw/zinc/23/89/94/1033238994.db2.gz ASCNFLNPKAQIPU-HZPDHXFCSA-N 1 1 323.481 3.648 20 30 DHEDMO Cc1cc(N=NC2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)ncn1 ZINC000841625967 1024793406 /nfs/dbraw/zinc/79/34/06/1024793406.db2.gz OJGDAXXYJCOETQ-SFHVURJKSA-N 1 1 321.428 3.552 20 30 DHEDMO CCc1ccc(C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000026223611 1024795664 /nfs/dbraw/zinc/79/56/64/1024795664.db2.gz SLTNIWGBEFINDM-UHFFFAOYSA-N 1 1 321.424 3.581 20 30 DHEDMO CCCCCCCC[C@H](CC)[N@H+]1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001172505399 1033234808 /nfs/dbraw/zinc/23/48/08/1033234808.db2.gz MNVADTSJQTVASQ-CADBVGFASA-N 1 1 311.510 3.987 20 30 DHEDMO CC[N@@H+]([C@H](C)CCCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172506966 1033235461 /nfs/dbraw/zinc/23/54/61/1033235461.db2.gz MSAFSTKFZOPIOR-OAHLLOKOSA-N 1 1 323.481 3.790 20 30 DHEDMO CCC[N@@H+]([C@H](C)CCCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001172509939 1033237045 /nfs/dbraw/zinc/23/70/45/1033237045.db2.gz SSEISULXLPDJCW-CVEARBPZSA-N 1 1 323.481 3.790 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000350733141 1024846133 /nfs/dbraw/zinc/84/61/33/1024846133.db2.gz XQVFZXONWRFXQD-ZBFHGGJFSA-N 1 1 315.465 3.724 20 30 DHEDMO C[C@H](CCC#N)[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000350733141 1024846157 /nfs/dbraw/zinc/84/61/57/1024846157.db2.gz XQVFZXONWRFXQD-ZBFHGGJFSA-N 1 1 315.465 3.724 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000350733141 1024846175 /nfs/dbraw/zinc/84/61/75/1024846175.db2.gz XQVFZXONWRFXQD-ZBFHGGJFSA-N 1 1 315.465 3.724 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NCC#Cc2ccccc2)nc1 ZINC001170426122 1024899919 /nfs/dbraw/zinc/89/99/19/1024899919.db2.gz KWDNBRVPUICKGH-SFHVURJKSA-N 1 1 319.452 3.920 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+](CC(CC)CC)CC2)C1=O ZINC001275075486 1024904104 /nfs/dbraw/zinc/90/41/04/1024904104.db2.gz ZAUAHLWRVKIGDC-IBGZPJMESA-N 1 1 306.494 3.703 20 30 DHEDMO C=CCN1c2ccccc2[C@@]2(CC[N@H+](C[C@@H](C)CCC)C2)C1=O ZINC001275079514 1024904203 /nfs/dbraw/zinc/90/42/03/1024904203.db2.gz VECJXSALXTYCTL-JXFKEZNVSA-N 1 1 312.457 3.599 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC=C(C)C ZINC001275110961 1024917545 /nfs/dbraw/zinc/91/75/45/1024917545.db2.gz GMOPKYBYKBOFKH-QZTJIDSGSA-N 1 1 306.494 3.988 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@]2(CCN(C3CCCC3)C2=O)C1 ZINC001275112133 1024918014 /nfs/dbraw/zinc/91/80/14/1024918014.db2.gz ZJAKVHNVZCAKEN-LJQANCHMSA-N 1 1 306.494 3.824 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@]2(CCN(CC=C(C)C)C2=O)C1 ZINC001275111253 1024918150 /nfs/dbraw/zinc/91/81/50/1024918150.db2.gz JSAZCOKGFWPGKT-LJQANCHMSA-N 1 1 306.494 3.847 20 30 DHEDMO N#Cc1cccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c1F ZINC000352877957 1024935448 /nfs/dbraw/zinc/93/54/48/1024935448.db2.gz RJTAVVTVNHLEGC-LJQANCHMSA-N 1 1 324.399 3.569 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1NC(C)=O ZINC000119274407 1024963498 /nfs/dbraw/zinc/96/34/98/1024963498.db2.gz LAIXOCHZEDTACT-UHFFFAOYSA-N 1 1 321.424 3.929 20 30 DHEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(F)c(C#N)c2)s1 ZINC000120378930 1025031601 /nfs/dbraw/zinc/03/16/01/1025031601.db2.gz RSDANWIPCPSNNC-NSHDSACASA-N 1 1 303.406 3.964 20 30 DHEDMO C[N@@H+](CCC[NH2+][C@H]1CCc2ccc(C#N)cc21)Cc1ccccc1 ZINC000353391000 1025053091 /nfs/dbraw/zinc/05/30/91/1025053091.db2.gz WMJVLDUVZZVJSB-NRFANRHFSA-N 1 1 319.452 3.657 20 30 DHEDMO CN(CCC[NH2+][C@H]1CCc2ccc(C#N)cc21)Cc1ccccc1 ZINC000353391000 1025053102 /nfs/dbraw/zinc/05/31/02/1025053102.db2.gz WMJVLDUVZZVJSB-NRFANRHFSA-N 1 1 319.452 3.657 20 30 DHEDMO C[N@H+](CCCN[C@H]1CCc2ccc(C#N)cc21)Cc1ccccc1 ZINC000353391000 1025053112 /nfs/dbraw/zinc/05/31/12/1025053112.db2.gz WMJVLDUVZZVJSB-NRFANRHFSA-N 1 1 319.452 3.657 20 30 DHEDMO C[N@@H+](CCCN[C@H]1CCc2ccc(C#N)cc21)Cc1ccccc1 ZINC000353391000 1025053124 /nfs/dbraw/zinc/05/31/24/1025053124.db2.gz WMJVLDUVZZVJSB-NRFANRHFSA-N 1 1 319.452 3.657 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccc(C(=O)OC)cc1 ZINC000353406418 1025059694 /nfs/dbraw/zinc/05/96/94/1025059694.db2.gz UDFPNUXWQUXUQR-UHFFFAOYSA-N 1 1 302.418 3.625 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(C(=O)OC)cc1 ZINC000353406418 1025059707 /nfs/dbraw/zinc/05/97/07/1025059707.db2.gz UDFPNUXWQUXUQR-UHFFFAOYSA-N 1 1 302.418 3.625 20 30 DHEDMO C=C(Br)C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000134402212 1025111649 /nfs/dbraw/zinc/11/16/49/1025111649.db2.gz NBJDFGSLUSJROG-UHFFFAOYSA-N 1 1 310.113 3.583 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@H](CSC)C2)c(O)c(OC)c1 ZINC000793796364 1025165155 /nfs/dbraw/zinc/16/51/55/1025165155.db2.gz KMSBNJVTCUXWFH-HNNXBMFYSA-N 1 1 321.486 3.704 20 30 DHEDMO C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000353681683 1025196585 /nfs/dbraw/zinc/19/65/85/1025196585.db2.gz WTGWCYHZGGACMH-UQASEVPWSA-N 1 1 323.484 3.788 20 30 DHEDMO C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000353681683 1025196590 /nfs/dbraw/zinc/19/65/90/1025196590.db2.gz WTGWCYHZGGACMH-UQASEVPWSA-N 1 1 323.484 3.788 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000353748269 1025225971 /nfs/dbraw/zinc/22/59/71/1025225971.db2.gz HEOXJVUZPQZFDT-LJQANCHMSA-N 1 1 301.430 3.644 20 30 DHEDMO C=CCC1(O)CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000884723412 1025237970 /nfs/dbraw/zinc/23/79/70/1025237970.db2.gz KMDWHKAEXAZYAW-UHFFFAOYSA-N 1 1 302.805 3.796 20 30 DHEDMO CCCC[N@@H+](CCC#N)[C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170443676 1025238604 /nfs/dbraw/zinc/23/86/04/1025238604.db2.gz RAJGSOACJVFGOV-MRXNPFEDSA-N 1 1 302.418 3.752 20 30 DHEDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000135261823 1033269931 /nfs/dbraw/zinc/26/99/31/1033269931.db2.gz FXVCIUPBHUIUCK-QGZVFWFLSA-N 1 1 313.489 3.651 20 30 DHEDMO CCn1nc(C)c(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1C ZINC000353947770 1025301283 /nfs/dbraw/zinc/30/12/83/1025301283.db2.gz PCHQZANRUKMKFU-QUCCMNQESA-N 1 1 322.456 3.792 20 30 DHEDMO CCn1nc(C)c(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1C ZINC000353947770 1025301295 /nfs/dbraw/zinc/30/12/95/1025301295.db2.gz PCHQZANRUKMKFU-QUCCMNQESA-N 1 1 322.456 3.792 20 30 DHEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C1CCC(C)CC1)C2 ZINC001168211366 1025323094 /nfs/dbraw/zinc/32/30/94/1025323094.db2.gz CVOHNZVIWZGVNV-BTRQGYIVSA-N 1 1 307.478 3.639 20 30 DHEDMO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC001168234048 1025359915 /nfs/dbraw/zinc/35/99/15/1025359915.db2.gz JSUFHLDJUONOJJ-CKEIUWERSA-N 1 1 316.420 3.578 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccccc1)C1CC1 ZINC000354238339 1025388989 /nfs/dbraw/zinc/38/89/89/1025388989.db2.gz LPJIEIITPWWCIR-UHFFFAOYSA-N 1 1 322.408 3.610 20 30 DHEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1sccc1Cl ZINC001275316294 1025400436 /nfs/dbraw/zinc/40/04/36/1025400436.db2.gz WTCFBEAIQVJJIL-ZIAGYGMSSA-N 1 1 324.877 3.543 20 30 DHEDMO C=CC[C@@](C)([NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1)C(=O)OC ZINC001172544640 1033276321 /nfs/dbraw/zinc/27/63/21/1033276321.db2.gz CPPFKGFFNBJTMG-ZHALLVOQSA-N 1 1 301.430 3.810 20 30 DHEDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885927367 1025408889 /nfs/dbraw/zinc/40/88/89/1025408889.db2.gz QUPCGVWZZGICGL-GDBMZVCRSA-N 1 1 312.413 3.870 20 30 DHEDMO Cc1ccc(C2=CC[N@@H+](C[C@@H](O)CC3(C#N)CCC3)CC2)cc1 ZINC000885933164 1025409877 /nfs/dbraw/zinc/40/98/77/1025409877.db2.gz MAHXHTSBTVMOHR-IBGZPJMESA-N 1 1 310.441 3.529 20 30 DHEDMO C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C1CCCC1 ZINC001275325951 1025428834 /nfs/dbraw/zinc/42/88/34/1025428834.db2.gz SQKPTXSFDLNXDB-QZTJIDSGSA-N 1 1 304.478 3.741 20 30 DHEDMO C=CCCCCC[N@@H+]1CC[C@@]2(CCN(CC=C(C)C)C2=O)C1 ZINC001275325930 1025430467 /nfs/dbraw/zinc/43/04/67/1025430467.db2.gz SEXCXNYKCWJBRU-LJQANCHMSA-N 1 1 304.478 3.623 20 30 DHEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886008421 1025435962 /nfs/dbraw/zinc/43/59/62/1025435962.db2.gz MCVCHBAPXDXWNT-ZWKOTPCHSA-N 1 1 300.446 3.760 20 30 DHEDMO C=CCCCCCC[N@@H+]1CC[C@@]2(CCN([C@@H](C)CC)C2=O)C1 ZINC001275328767 1025437834 /nfs/dbraw/zinc/43/78/34/1025437834.db2.gz CEECKISGLQCCRD-PKOBYXMFSA-N 1 1 306.494 3.846 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CCCCC[C@H]2c2ccco2)CCC1 ZINC000886014758 1025438518 /nfs/dbraw/zinc/43/85/18/1025438518.db2.gz OYSVSXNMYNFFME-HOTGVXAUSA-N 1 1 302.418 3.642 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)NCc1cccs1 ZINC000354564717 1025457262 /nfs/dbraw/zinc/45/72/62/1025457262.db2.gz RUDUBEYKHUCBNY-CYBMUJFWSA-N 1 1 320.483 3.503 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)NCc1cccs1 ZINC000354564717 1025457268 /nfs/dbraw/zinc/45/72/68/1025457268.db2.gz RUDUBEYKHUCBNY-CYBMUJFWSA-N 1 1 320.483 3.503 20 30 DHEDMO CC(C)[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCCO1 ZINC000354793749 1025507187 /nfs/dbraw/zinc/50/71/87/1025507187.db2.gz STLZOJDHTGYCIX-LJQANCHMSA-N 1 1 316.445 3.616 20 30 DHEDMO Cc1cc(C)cc([C@H]2CC[N@@H+](C[C@H](O)CC3(C#N)CCC3)C2)c1 ZINC000886125191 1025516756 /nfs/dbraw/zinc/51/67/56/1025516756.db2.gz KWGBMXNLZXCCON-PKOBYXMFSA-N 1 1 312.457 3.538 20 30 DHEDMO C[C@@H](CC[N@@H+](C)Cc1cccc(C#N)c1)OCc1ccccc1 ZINC000354860282 1025527576 /nfs/dbraw/zinc/52/75/76/1025527576.db2.gz FCUKADPYOQDCAC-KRWDZBQOSA-N 1 1 308.425 3.985 20 30 DHEDMO Cc1ccc([C@@H]2CC[N@@H+](C[C@H](O)CC3(C#N)CCC3)C2)c(C)c1 ZINC000886181298 1025551261 /nfs/dbraw/zinc/55/12/61/1025551261.db2.gz JGCBDZKFSQWHHT-QZTJIDSGSA-N 1 1 312.457 3.538 20 30 DHEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886207747 1025556968 /nfs/dbraw/zinc/55/69/68/1025556968.db2.gz LDWCVGBXAJVDHU-WBVHZDCISA-N 1 1 316.445 3.523 20 30 DHEDMO CCOc1cc2c(cc1OCC)C[N@@H+](CCCCC#N)CC2 ZINC000057623593 1025561754 /nfs/dbraw/zinc/56/17/54/1025561754.db2.gz YQNZNWNKUKZCJY-UHFFFAOYSA-N 1 1 302.418 3.536 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000886354979 1025602044 /nfs/dbraw/zinc/60/20/44/1025602044.db2.gz AEPHAEPECPJFPX-CYBMUJFWSA-N 1 1 300.789 3.840 20 30 DHEDMO CC[N@@H+](Cc1ccc2oc(=O)oc2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000893950828 1025622090 /nfs/dbraw/zinc/62/20/90/1025622090.db2.gz BZAYXOMHLYGURA-ZDUSSCGKSA-N 1 1 322.364 3.841 20 30 DHEDMO C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805795285 1025672242 /nfs/dbraw/zinc/67/22/42/1025672242.db2.gz KLPSCNINGRRGFL-SFHVURJKSA-N 1 1 308.466 3.676 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000131767164 1025715826 /nfs/dbraw/zinc/71/58/26/1025715826.db2.gz TZTOZNBRGJANBY-GOSISDBHSA-N 1 1 321.424 3.536 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000355439938 1025722225 /nfs/dbraw/zinc/72/22/25/1025722225.db2.gz PVADVIZAOOLBLP-IBGZPJMESA-N 1 1 312.457 3.563 20 30 DHEDMO Cc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)cn2cc[nH+]c12 ZINC000355439779 1025723723 /nfs/dbraw/zinc/72/37/23/1025723723.db2.gz QAQCKWFISRDCPA-MRXNPFEDSA-N 1 1 318.380 3.669 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cn2)C(C)(C)C)cc1 ZINC000573694924 1025741450 /nfs/dbraw/zinc/74/14/50/1025741450.db2.gz HWFZVYPFTPIIPU-UHFFFAOYSA-N 1 1 309.413 3.763 20 30 DHEDMO CC(C)(CC#N)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886623930 1025748576 /nfs/dbraw/zinc/74/85/76/1025748576.db2.gz TXCMNQUCFLQKEG-OTWHNJEPSA-N 1 1 311.473 3.569 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)cc1O ZINC000614171529 1025800192 /nfs/dbraw/zinc/80/01/92/1025800192.db2.gz NYXAJQYURKLANS-UHFFFAOYSA-N 1 1 324.424 3.834 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@@H+](CCO)C2CCCCC2)cc1 ZINC000614176320 1025805910 /nfs/dbraw/zinc/80/59/10/1025805910.db2.gz VFQQMMXIBBVZTA-UHFFFAOYSA-N 1 1 300.446 3.615 20 30 DHEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000614175413 1025808646 /nfs/dbraw/zinc/80/86/46/1025808646.db2.gz MFAPOHDVWMMXBA-VQIMIIECSA-N 1 1 313.489 3.650 20 30 DHEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000614175413 1025808667 /nfs/dbraw/zinc/80/86/67/1025808667.db2.gz MFAPOHDVWMMXBA-VQIMIIECSA-N 1 1 313.489 3.650 20 30 DHEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000614175410 1025809755 /nfs/dbraw/zinc/80/97/55/1025809755.db2.gz MFAPOHDVWMMXBA-APWZRJJASA-N 1 1 313.489 3.650 20 30 DHEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000614175410 1025809774 /nfs/dbraw/zinc/80/97/74/1025809774.db2.gz MFAPOHDVWMMXBA-APWZRJJASA-N 1 1 313.489 3.650 20 30 DHEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1O ZINC000614182905 1025822513 /nfs/dbraw/zinc/82/25/13/1025822513.db2.gz LZWNCCCLGYBHIX-QZTJIDSGSA-N 1 1 314.473 3.717 20 30 DHEDMO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000075636791 1025848421 /nfs/dbraw/zinc/84/84/21/1025848421.db2.gz XRLJXDKHAHUFBM-UHFFFAOYSA-N 1 1 310.401 3.763 20 30 DHEDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)[nH]1 ZINC000353648334 1025855293 /nfs/dbraw/zinc/85/52/93/1025855293.db2.gz YSYCTTNANBAPFS-MQIPJXDCSA-N 1 1 309.417 3.528 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000886776336 1025894952 /nfs/dbraw/zinc/89/49/52/1025894952.db2.gz DBSGYCPDYPSGEP-UHFFFAOYSA-N 1 1 314.454 3.713 20 30 DHEDMO CCC[N@@H+](CCCOCC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000053702453 1025905150 /nfs/dbraw/zinc/90/51/50/1025905150.db2.gz AWWZRTXSGDMAMZ-UHFFFAOYSA-N 1 1 314.351 3.739 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1CCCc2cccnc21 ZINC000614217129 1025921769 /nfs/dbraw/zinc/92/17/69/1025921769.db2.gz IHTVHMKXEAIUOK-LJQANCHMSA-N 1 1 320.440 3.884 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c(C(F)(F)F)c1 ZINC000886816214 1025938223 /nfs/dbraw/zinc/93/82/23/1025938223.db2.gz PIOJQKTTYNDKNM-GDBMZVCRSA-N 1 1 324.346 3.578 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)n1 ZINC000356119958 1025955894 /nfs/dbraw/zinc/95/58/94/1025955894.db2.gz CMYUSXBOUBNSQJ-LJQANCHMSA-N 1 1 323.465 3.885 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)n1 ZINC000356119958 1025955901 /nfs/dbraw/zinc/95/59/01/1025955901.db2.gz CMYUSXBOUBNSQJ-LJQANCHMSA-N 1 1 323.465 3.885 20 30 DHEDMO CC[N@H+](Cc1ccccn1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356218354 1025987727 /nfs/dbraw/zinc/98/77/27/1025987727.db2.gz GAMDJYUTARFKKP-UHFFFAOYSA-N 1 1 319.330 3.994 20 30 DHEDMO CC[N@@H+](Cc1ccccn1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356218354 1025987739 /nfs/dbraw/zinc/98/77/39/1025987739.db2.gz GAMDJYUTARFKKP-UHFFFAOYSA-N 1 1 319.330 3.994 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccncc1F ZINC000356317097 1026018197 /nfs/dbraw/zinc/01/81/97/1026018197.db2.gz KIEYOPXCGXTQNW-JTQLQIEISA-N 1 1 323.293 3.962 20 30 DHEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H](C)C1 ZINC000356310078 1026019479 /nfs/dbraw/zinc/01/94/79/1026019479.db2.gz XCRQGLHESCDXGT-BXUZGUMPSA-N 1 1 312.335 3.576 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000356513122 1026068397 /nfs/dbraw/zinc/06/83/97/1026068397.db2.gz HYZOBJAGMPLIEO-HFCFLWKCSA-N 1 1 314.473 3.758 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000356513122 1026068405 /nfs/dbraw/zinc/06/84/05/1026068405.db2.gz HYZOBJAGMPLIEO-HFCFLWKCSA-N 1 1 314.473 3.758 20 30 DHEDMO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000093844536 1026129800 /nfs/dbraw/zinc/12/98/00/1026129800.db2.gz CCIXYWNCOWRNJC-MRXNPFEDSA-N 1 1 315.461 3.628 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000093844536 1026129809 /nfs/dbraw/zinc/12/98/09/1026129809.db2.gz CCIXYWNCOWRNJC-MRXNPFEDSA-N 1 1 315.461 3.628 20 30 DHEDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000412063928 1026135161 /nfs/dbraw/zinc/13/51/61/1026135161.db2.gz JQCOQFFLMIZEMW-HRCADAONSA-N 1 1 306.450 3.513 20 30 DHEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC[C@@H]1CC=C(C)C1(C)C ZINC001275502253 1026158959 /nfs/dbraw/zinc/15/89/59/1026158959.db2.gz BIYYTDSJZYTUKF-RCCFBDPRSA-N 1 1 316.489 3.620 20 30 DHEDMO C=CCC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000533063504 1026199774 /nfs/dbraw/zinc/19/97/74/1026199774.db2.gz JMLKIPCRYVLLRP-UHFFFAOYSA-N 1 1 301.409 3.667 20 30 DHEDMO CCCC[N@@H+](CCC(=O)N(C)CCC#N)[C@@H](C)c1ccccc1 ZINC000357010202 1026272850 /nfs/dbraw/zinc/27/28/50/1026272850.db2.gz WSLABVULUSSXFB-KRWDZBQOSA-N 1 1 315.461 3.612 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(C#N)cc1 ZINC000398007408 1026286409 /nfs/dbraw/zinc/28/64/09/1026286409.db2.gz BOKBQRVDOJQRLA-OXJNMPFZSA-N 1 1 305.425 3.881 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2C)cc(OC)c1 ZINC000614396687 1026292897 /nfs/dbraw/zinc/29/28/97/1026292897.db2.gz GQUQEJWNVWAYFP-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO CCCCCCCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1cn[nH]c1 ZINC001279870667 1026522718 /nfs/dbraw/zinc/52/27/18/1026522718.db2.gz JWPDUQYEDWFKKA-QAPCUYQASA-N 1 1 318.465 3.563 20 30 DHEDMO C#Cc1ccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)cc1 ZINC000809576405 1026552947 /nfs/dbraw/zinc/55/29/47/1026552947.db2.gz UYGVQLORYCHYGH-NRFANRHFSA-N 1 1 305.421 3.540 20 30 DHEDMO C#Cc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000809546229 1026554205 /nfs/dbraw/zinc/55/42/05/1026554205.db2.gz ZCXAAEQGRSAEIB-UHFFFAOYSA-N 1 1 306.365 3.741 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1 ZINC000809580126 1026555093 /nfs/dbraw/zinc/55/50/93/1026555093.db2.gz FSMYNEAXDHCOOK-YWZLYKJASA-N 1 1 309.384 3.769 20 30 DHEDMO C#Cc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1 ZINC000809580126 1026555103 /nfs/dbraw/zinc/55/51/03/1026555103.db2.gz FSMYNEAXDHCOOK-YWZLYKJASA-N 1 1 309.384 3.769 20 30 DHEDMO C#Cc1ccc(C[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000809610792 1026562547 /nfs/dbraw/zinc/56/25/47/1026562547.db2.gz DYESSMCUBAUSEY-QFIPXVFZSA-N 1 1 318.464 3.670 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000809592935 1026567435 /nfs/dbraw/zinc/56/74/35/1026567435.db2.gz KOHOMPWOXXIQGZ-ZWKOTPCHSA-N 1 1 311.450 3.818 20 30 DHEDMO C#Cc1ccc(C[NH2+][C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000809602667 1026572917 /nfs/dbraw/zinc/57/29/17/1026572917.db2.gz VBRGLBXILVQYBK-OAQYLSRUSA-N 1 1 304.437 3.595 20 30 DHEDMO C#Cc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000809626337 1026577534 /nfs/dbraw/zinc/57/75/34/1026577534.db2.gz IITXPQMUUDMLGT-UHFFFAOYSA-N 1 1 300.745 3.519 20 30 DHEDMO C#Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000809654283 1026583608 /nfs/dbraw/zinc/58/36/08/1026583608.db2.gz XCCZTUWIJTZNKK-UHFFFAOYSA-N 1 1 323.411 3.988 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1cccc(OC)c1O)c1ccc(Cl)cc1F ZINC000809699520 1026588095 /nfs/dbraw/zinc/58/80/95/1026588095.db2.gz SGJSITTXBPEFJC-OAHLLOKOSA-N 1 1 319.763 3.657 20 30 DHEDMO C#CC[N@H+](Cc1cn(C)nc1-c1cccs1)Cc1ccccc1 ZINC000809715659 1026602246 /nfs/dbraw/zinc/60/22/46/1026602246.db2.gz FUKHDACVTCCTCX-UHFFFAOYSA-N 1 1 321.449 3.784 20 30 DHEDMO CC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@H](C)c1cccnc1 ZINC000809763995 1026621360 /nfs/dbraw/zinc/62/13/60/1026621360.db2.gz BWUPJGBKLWCWPF-HZPDHXFCSA-N 1 1 309.413 3.956 20 30 DHEDMO C[N@@H+](CCCOCc1ccccc1)Cc1csc(C#N)c1 ZINC000894243298 1026725458 /nfs/dbraw/zinc/72/54/58/1026725458.db2.gz GVJHTBHTJYTCAW-UHFFFAOYSA-N 1 1 300.427 3.658 20 30 DHEDMO C=CCSc1ccccc1C(=O)O[C@H](C)Cn1cc[nH+]c1C ZINC000810622114 1026802397 /nfs/dbraw/zinc/80/23/97/1026802397.db2.gz UDHRANIBLJOIPT-CYBMUJFWSA-N 1 1 316.426 3.715 20 30 DHEDMO C=CCSc1ccccc1C(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000810850896 1026873530 /nfs/dbraw/zinc/87/35/30/1026873530.db2.gz OZQWYQFOKNUUAE-HUUCEWRRSA-N 1 1 317.454 3.748 20 30 DHEDMO C=CCSc1ccccc1C(=O)O[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000810850895 1026874065 /nfs/dbraw/zinc/87/40/65/1026874065.db2.gz OZQWYQFOKNUUAE-GJZGRUSLSA-N 1 1 317.454 3.748 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)ccc1F ZINC000420950018 1026889433 /nfs/dbraw/zinc/88/94/33/1026889433.db2.gz PIGWGHLQESOUGP-LBPRGKRZSA-N 1 1 300.299 3.862 20 30 DHEDMO Cn1cc(Cl)c(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000420960288 1026892872 /nfs/dbraw/zinc/89/28/72/1026892872.db2.gz GKYJXIWHHPDSSS-OAHLLOKOSA-N 1 1 302.809 3.598 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](O)CC23CCC3)cc1Cl ZINC000421376986 1026969788 /nfs/dbraw/zinc/96/97/88/1026969788.db2.gz SKKKVWADGMMYCW-HNNXBMFYSA-N 1 1 321.848 3.784 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(C#N)cc1C(F)(F)F ZINC000811453643 1027004280 /nfs/dbraw/zinc/00/42/80/1027004280.db2.gz PPEMFHNDQQQMTF-UHFFFAOYSA-N 1 1 309.335 3.949 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(C#N)cc1C(F)(F)F ZINC000811453643 1027004290 /nfs/dbraw/zinc/00/42/90/1027004290.db2.gz PPEMFHNDQQQMTF-UHFFFAOYSA-N 1 1 309.335 3.949 20 30 DHEDMO CC(C)c1nccnc1N=NC1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000811649621 1027051158 /nfs/dbraw/zinc/05/11/58/1027051158.db2.gz SKVLZCHFKDNODQ-HNNXBMFYSA-N 1 1 323.444 3.662 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c1O ZINC000811780511 1027081655 /nfs/dbraw/zinc/08/16/55/1027081655.db2.gz OCUPFEBSHVKYKO-LBPRGKRZSA-N 1 1 311.372 3.606 20 30 DHEDMO C[N@@H+](CCCOc1cccc(C#N)c1)C1CCC(F)(F)CC1 ZINC000571353445 1027121512 /nfs/dbraw/zinc/12/15/12/1027121512.db2.gz CKVAKKDAGFNVBG-UHFFFAOYSA-N 1 1 308.372 3.837 20 30 DHEDMO N#CC1(CCCC[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)CCC1 ZINC000931560012 1027167728 /nfs/dbraw/zinc/16/77/28/1027167728.db2.gz MFZOJMNODNHCGE-SFHVURJKSA-N 1 1 324.472 3.730 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)CCc2cccs2)c1C ZINC000362383548 1027173087 /nfs/dbraw/zinc/17/30/87/1027173087.db2.gz NQTIQZFEQQHVNV-UHFFFAOYSA-N 1 1 316.470 3.710 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)CCc2cccs2)c1C ZINC000362383548 1027173096 /nfs/dbraw/zinc/17/30/96/1027173096.db2.gz NQTIQZFEQQHVNV-UHFFFAOYSA-N 1 1 316.470 3.710 20 30 DHEDMO C=CCSc1ccccc1C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000362390425 1027182738 /nfs/dbraw/zinc/18/27/38/1027182738.db2.gz SMXPMSCFMBJPNU-HNNXBMFYSA-N 1 1 318.486 3.569 20 30 DHEDMO COc1cccc([C@H]2CC[N@@H+](Cc3cncc(C#N)c3)C2(C)C)c1 ZINC000931689117 1027216679 /nfs/dbraw/zinc/21/66/79/1027216679.db2.gz RRKJKYNBMBKQHE-LJQANCHMSA-N 1 1 321.424 3.730 20 30 DHEDMO CC(=[NH+]Nc1cccc(C)c1)c1cccc(N2CCOCC2)c1 ZINC000812374494 1027264608 /nfs/dbraw/zinc/26/46/08/1027264608.db2.gz CLKDYRVSCKHBHH-UHFFFAOYSA-N 1 1 309.413 3.668 20 30 DHEDMO Fc1ccc(C#CC[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931916453 1027303349 /nfs/dbraw/zinc/30/33/49/1027303349.db2.gz JEIRMADEDOUJCR-AWEZNQCLSA-N 1 1 315.285 3.544 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931916453 1027303366 /nfs/dbraw/zinc/30/33/66/1027303366.db2.gz JEIRMADEDOUJCR-AWEZNQCLSA-N 1 1 315.285 3.544 20 30 DHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2c2ccccc2)cc1 ZINC000562249126 1027323940 /nfs/dbraw/zinc/32/39/40/1027323940.db2.gz NEWPGTIDDVJEAI-IBGZPJMESA-N 1 1 319.408 3.724 20 30 DHEDMO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCC[C@H](C#N)C2)c(C)c1 ZINC000932149732 1027386511 /nfs/dbraw/zinc/38/65/11/1027386511.db2.gz AOLIOXKPMFKIBD-QGZVFWFLSA-N 1 1 313.445 3.566 20 30 DHEDMO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCC[C@H](C#N)C2)c(C)c1 ZINC000932149732 1027386528 /nfs/dbraw/zinc/38/65/28/1027386528.db2.gz AOLIOXKPMFKIBD-QGZVFWFLSA-N 1 1 313.445 3.566 20 30 DHEDMO Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000422997903 1027387152 /nfs/dbraw/zinc/38/71/52/1027387152.db2.gz PCTVNZFNYVQWAT-HNAYVOBHSA-N 1 1 308.429 3.544 20 30 DHEDMO C#C[C@H](N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccc(F)cc1 ZINC000812792595 1027400785 /nfs/dbraw/zinc/40/07/85/1027400785.db2.gz DWOAUUIBVYDAEO-NDXORKPFSA-N 1 1 322.427 3.925 20 30 DHEDMO C#C[C@H]([NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1)c1ccc(F)cc1 ZINC000812792595 1027400794 /nfs/dbraw/zinc/40/07/94/1027400794.db2.gz DWOAUUIBVYDAEO-NDXORKPFSA-N 1 1 322.427 3.925 20 30 DHEDMO C=CCSc1ccccc1C(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000362830100 1027407200 /nfs/dbraw/zinc/40/72/00/1027407200.db2.gz YPVHTSYXSJMUBQ-LSDHHAIUSA-N 1 1 318.486 3.519 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)cc1F ZINC000932203654 1027413606 /nfs/dbraw/zinc/41/36/06/1027413606.db2.gz LBIFBGWNTFKFFG-ZDUSSCGKSA-N 1 1 315.417 3.609 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)c1ccc(F)cc1 ZINC000812794119 1027421645 /nfs/dbraw/zinc/42/16/45/1027421645.db2.gz RLTAXSXLANBVQL-OAHLLOKOSA-N 1 1 319.763 3.657 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2nnc([C@@H](C)CC)[nH]2)cc1 ZINC000362911414 1027440250 /nfs/dbraw/zinc/44/02/50/1027440250.db2.gz BTSUCOLJBQQDRZ-UONOGXRCSA-N 1 1 314.433 3.734 20 30 DHEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812849606 1027445907 /nfs/dbraw/zinc/44/59/07/1027445907.db2.gz OSCRPMFIEHLUKA-OXJNMPFZSA-N 1 1 311.400 3.621 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812851824 1027445992 /nfs/dbraw/zinc/44/59/92/1027445992.db2.gz CGZONBDQGWPVGQ-AUUYWEPGSA-N 1 1 312.388 3.641 20 30 DHEDMO CCC(CC)[N@@H+](CC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000575020953 1027447535 /nfs/dbraw/zinc/44/75/35/1027447535.db2.gz JOKCXHURKKAWHE-GOSISDBHSA-N 1 1 313.445 3.564 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1C)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812852814 1027448691 /nfs/dbraw/zinc/44/86/91/1027448691.db2.gz KTNRIALKNQNHDU-OXQOHEQNSA-N 1 1 308.425 3.811 20 30 DHEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812852290 1027448829 /nfs/dbraw/zinc/44/88/29/1027448829.db2.gz XKJYUKWEUUZOTN-IFXJQAMLSA-N 1 1 312.388 3.641 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812851983 1027448886 /nfs/dbraw/zinc/44/88/86/1027448886.db2.gz CGZONBDQGWPVGQ-IFXJQAMLSA-N 1 1 312.388 3.641 20 30 DHEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812852257 1027449655 /nfs/dbraw/zinc/44/96/55/1027449655.db2.gz DYEIWWVTAGIQJY-UZLBHIALSA-N 1 1 308.425 3.697 20 30 DHEDMO Cc1cc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)ccc1C#N ZINC000362934024 1027451981 /nfs/dbraw/zinc/45/19/81/1027451981.db2.gz JFLLJYLLMHWPPE-LJQANCHMSA-N 1 1 310.397 3.641 20 30 DHEDMO Cc1cc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)ccc1C#N ZINC000362934024 1027451989 /nfs/dbraw/zinc/45/19/89/1027451989.db2.gz JFLLJYLLMHWPPE-LJQANCHMSA-N 1 1 310.397 3.641 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)c(C)c1)Cc1ccc(OC)c(OC)c1 ZINC000362956776 1027463047 /nfs/dbraw/zinc/46/30/47/1027463047.db2.gz CZEKNZXWOLOEFQ-UHFFFAOYSA-N 1 1 324.424 3.906 20 30 DHEDMO N#CC1(C[C@H](O)C[N@@H+](Cc2cccc(F)c2)C2CCC2)CCC1 ZINC000932403388 1027482682 /nfs/dbraw/zinc/48/26/82/1027482682.db2.gz TVANKISYPSMLMG-SFHVURJKSA-N 1 1 316.420 3.625 20 30 DHEDMO C=CCCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000363196695 1027554703 /nfs/dbraw/zinc/55/47/03/1027554703.db2.gz UICSJGMVDSGPCI-RBUKOAKNSA-N 1 1 312.457 3.608 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1 ZINC000576080091 1027559029 /nfs/dbraw/zinc/55/90/29/1027559029.db2.gz NDZVZOKMFYOFJR-ZWKOTPCHSA-N 1 1 301.430 3.641 20 30 DHEDMO CCc1ccccc1[C@@H]([NH3+])CN[C@@H](CC)c1ccc(C#N)cc1 ZINC000423498338 1027563959 /nfs/dbraw/zinc/56/39/59/1027563959.db2.gz IAOVDSTZADZNFW-PMACEKPBSA-N 1 1 307.441 3.861 20 30 DHEDMO C[C@@H](C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CCCCC1 ZINC001170703657 1027604245 /nfs/dbraw/zinc/60/42/45/1027604245.db2.gz RTGCUFMMQONFBV-MAUKXSAKSA-N 1 1 313.445 3.623 20 30 DHEDMO N#Cc1c(Cl)nsc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000047405379 1027608335 /nfs/dbraw/zinc/60/83/35/1027608335.db2.gz UEYGJYACPOEJJI-NSHDSACASA-N 1 1 322.821 3.510 20 30 DHEDMO N#Cc1csc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)n1 ZINC000576511465 1027626754 /nfs/dbraw/zinc/62/67/54/1027626754.db2.gz ODVQVAJYJZRUGK-GVDBMIGSSA-N 1 1 309.438 3.783 20 30 DHEDMO C=CCCC[C@H](C)[N@@H+](CC)CC(=O)NCc1ccc(F)cc1 ZINC000576538783 1027628305 /nfs/dbraw/zinc/62/83/05/1027628305.db2.gz WDJUQPGYDPCMSX-HNNXBMFYSA-N 1 1 306.425 3.509 20 30 DHEDMO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C/C=C/CCCCCCC ZINC001275841115 1027676374 /nfs/dbraw/zinc/67/63/74/1027676374.db2.gz XKKFUPXAEFLSKO-MMKWGKFASA-N 1 1 316.489 3.602 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@@H+]2CC2=CC[C@@H](C(=C)C)CC2)C1=O ZINC001275856706 1027744235 /nfs/dbraw/zinc/74/42/35/1027744235.db2.gz IWXKRFRJZIJUHV-UYAOXDASSA-N 1 1 314.473 3.542 20 30 DHEDMO C=CCOc1cccc(C[N@H+](CCOC)[C@H]2CCCSC2)c1 ZINC000448356285 1027750623 /nfs/dbraw/zinc/75/06/23/1027750623.db2.gz RAKYOSJEKLUBJA-KRWDZBQOSA-N 1 1 321.486 3.595 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000577358219 1027758963 /nfs/dbraw/zinc/75/89/63/1027758963.db2.gz AFXRXMSWRKJMMG-CQSZACIVSA-N 1 1 324.359 3.546 20 30 DHEDMO CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 ZINC000933624372 1027775741 /nfs/dbraw/zinc/77/57/41/1027775741.db2.gz HRVPACIJBVMZTE-FQEVSTJZSA-N 1 1 322.408 3.530 20 30 DHEDMO CCOc1ccc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 ZINC000933624372 1027775757 /nfs/dbraw/zinc/77/57/57/1027775757.db2.gz HRVPACIJBVMZTE-FQEVSTJZSA-N 1 1 322.408 3.530 20 30 DHEDMO CC[C@@H](CC(F)F)C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933631402 1027780313 /nfs/dbraw/zinc/78/03/13/1027780313.db2.gz JONKUTJJFLRIHH-BBRMVZONSA-N 1 1 308.372 3.613 20 30 DHEDMO CC[C@@H](CC(F)F)C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933631402 1027780332 /nfs/dbraw/zinc/78/03/32/1027780332.db2.gz JONKUTJJFLRIHH-BBRMVZONSA-N 1 1 308.372 3.613 20 30 DHEDMO CC[C@H](CC(F)F)C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933631418 1027781191 /nfs/dbraw/zinc/78/11/91/1027781191.db2.gz JONKUTJJFLRIHH-CZUORRHYSA-N 1 1 308.372 3.613 20 30 DHEDMO CC[C@H](CC(F)F)C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933631418 1027781205 /nfs/dbraw/zinc/78/12/05/1027781205.db2.gz JONKUTJJFLRIHH-CZUORRHYSA-N 1 1 308.372 3.613 20 30 DHEDMO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC[C@@H](C)CC(C)(C)C ZINC001275879955 1027800626 /nfs/dbraw/zinc/80/06/26/1027800626.db2.gz JHFXLRAAMBCQPF-XLIONFOSSA-N 1 1 318.505 3.539 20 30 DHEDMO N#CC1(C[C@H](O)CNc2ccc([NH2+]CC3CCCC3)cc2)CC1 ZINC000600742946 1027810684 /nfs/dbraw/zinc/81/06/84/1027810684.db2.gz PPQFMGWOIRBTPB-SFHVURJKSA-N 1 1 313.445 3.755 20 30 DHEDMO C=C[C@H](CC)CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000933815411 1027838531 /nfs/dbraw/zinc/83/85/31/1027838531.db2.gz UUZJEHMWIBQLJP-MJGOQNOKSA-N 1 1 314.473 3.569 20 30 DHEDMO Cn1cc([C@H]2CSCCC[N@H+]2CCCCC(C)(C)C#N)cn1 ZINC000933977510 1027874477 /nfs/dbraw/zinc/87/44/77/1027874477.db2.gz FKUMFNBNTCCIKL-MRXNPFEDSA-N 1 1 320.506 3.620 20 30 DHEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000778232148 1027951112 /nfs/dbraw/zinc/95/11/12/1027951112.db2.gz NMTRVXUHEHOOIH-UHFFFAOYSA-N 1 1 315.461 3.513 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000778232148 1027951127 /nfs/dbraw/zinc/95/11/27/1027951127.db2.gz NMTRVXUHEHOOIH-UHFFFAOYSA-N 1 1 315.461 3.513 20 30 DHEDMO N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+]1C1CCCCC1)CC2 ZINC000527948818 1027982616 /nfs/dbraw/zinc/98/26/16/1027982616.db2.gz MIAROXJQKOSQRP-AZUAARDMSA-N 1 1 309.457 3.542 20 30 DHEDMO N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+]1C1CCCCC1)CC2 ZINC000527948818 1027982638 /nfs/dbraw/zinc/98/26/38/1027982638.db2.gz MIAROXJQKOSQRP-AZUAARDMSA-N 1 1 309.457 3.542 20 30 DHEDMO Cn1c(Cl)cnc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000814304845 1028006557 /nfs/dbraw/zinc/00/65/57/1028006557.db2.gz SWLIGGOOHFTTSF-AWEZNQCLSA-N 1 1 302.809 3.598 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1Cc1nc2cc(Br)ccc2o1 ZINC000934465944 1028013484 /nfs/dbraw/zinc/01/34/84/1028013484.db2.gz WHERUXGEUIVAER-NSHDSACASA-N 1 1 307.191 3.741 20 30 DHEDMO C=CC[C@H]1CC[N@H+]1Cc1nc2cc(Br)ccc2o1 ZINC000934465944 1028013464 /nfs/dbraw/zinc/01/34/64/1028013464.db2.gz WHERUXGEUIVAER-NSHDSACASA-N 1 1 307.191 3.741 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000934464920 1028013537 /nfs/dbraw/zinc/01/35/37/1028013537.db2.gz IMHSXODWDULRKZ-KRWDZBQOSA-N 1 1 306.409 3.943 20 30 DHEDMO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000934464920 1028013558 /nfs/dbraw/zinc/01/35/58/1028013558.db2.gz IMHSXODWDULRKZ-KRWDZBQOSA-N 1 1 306.409 3.943 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000299181809 1028027827 /nfs/dbraw/zinc/02/78/27/1028027827.db2.gz ZGCYTGAEVLFPTJ-AWEZNQCLSA-N 1 1 324.384 3.516 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000299181809 1028027846 /nfs/dbraw/zinc/02/78/46/1028027846.db2.gz ZGCYTGAEVLFPTJ-AWEZNQCLSA-N 1 1 324.384 3.516 20 30 DHEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1C1CC1 ZINC001276005475 1028030680 /nfs/dbraw/zinc/03/06/80/1028030680.db2.gz XDYKRQUFLDMPBP-OAQYLSRUSA-N 1 1 324.468 3.707 20 30 DHEDMO C#CCC[N@H+](CCC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000299235453 1028036087 /nfs/dbraw/zinc/03/60/87/1028036087.db2.gz SCISQKXSLYMVEU-UHFFFAOYSA-N 1 1 303.793 3.625 20 30 DHEDMO COc1cc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)cc2ccccc21 ZINC000934633623 1028058759 /nfs/dbraw/zinc/05/87/59/1028058759.db2.gz AHCYYUQFRDWMJJ-CABCVRRESA-N 1 1 307.397 3.943 20 30 DHEDMO COc1cc([C@H](C)[NH2+]C[C@H](C#N)CCC#N)cc2ccccc21 ZINC000934633627 1028059160 /nfs/dbraw/zinc/05/91/60/1028059160.db2.gz AHCYYUQFRDWMJJ-GJZGRUSLSA-N 1 1 307.397 3.943 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(OC)c(OC)cc1F ZINC000578367386 1028132630 /nfs/dbraw/zinc/13/26/30/1028132630.db2.gz SSEBRMJZDVFJCO-UHFFFAOYSA-N 1 1 319.376 3.667 20 30 DHEDMO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(C#N)cc2Cl)c1C ZINC000578588080 1028188090 /nfs/dbraw/zinc/18/80/90/1028188090.db2.gz CHEXTNSNEKFHIC-NSHDSACASA-N 1 1 316.836 3.896 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)c1ccccc1C ZINC000159750795 1028206098 /nfs/dbraw/zinc/20/60/98/1028206098.db2.gz JRKKRJBTYJILGR-FQEVSTJZSA-N 1 1 306.409 3.588 20 30 DHEDMO C=C[C@H](CC)CC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000935285849 1028238088 /nfs/dbraw/zinc/23/80/88/1028238088.db2.gz BSEGXKBKBWHGLF-ZHALLVOQSA-N 1 1 314.473 3.616 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368058084 1028292847 /nfs/dbraw/zinc/29/28/47/1028292847.db2.gz PSROQIFSRKSEJX-FQEVSTJZSA-N 1 1 324.399 3.571 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368058084 1028292863 /nfs/dbraw/zinc/29/28/63/1028292863.db2.gz PSROQIFSRKSEJX-FQEVSTJZSA-N 1 1 324.399 3.571 20 30 DHEDMO C[C@@H]([NH2+][C@@H]1COc2cccc(F)c21)c1ccc(OCC#N)cc1 ZINC000368431048 1028352084 /nfs/dbraw/zinc/35/20/84/1028352084.db2.gz BJNBDMYOHDUORM-MLGOLLRUSA-N 1 1 312.344 3.512 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000187721448 1028474952 /nfs/dbraw/zinc/47/49/52/1028474952.db2.gz WXXWTASOGSRQOV-KUHUBIRLSA-N 1 1 310.372 3.912 20 30 DHEDMO CC(C)(C#N)CCCOC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815444480 1028501554 /nfs/dbraw/zinc/50/15/54/1028501554.db2.gz CQDYBFFFMAZMGE-INIZCTEOSA-N 1 1 306.450 3.657 20 30 DHEDMO C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1CCCC(C)(C)C#N ZINC000370006628 1028552541 /nfs/dbraw/zinc/55/25/41/1028552541.db2.gz DEDGVEJGAJHDGH-SFHVURJKSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CCCC(C)(C)C#N ZINC000370006628 1028552554 /nfs/dbraw/zinc/55/25/54/1028552554.db2.gz DEDGVEJGAJHDGH-SFHVURJKSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CCCC(C)(C)C#N ZINC000370006628 1028552568 /nfs/dbraw/zinc/55/25/68/1028552568.db2.gz DEDGVEJGAJHDGH-SFHVURJKSA-N 1 1 313.489 3.913 20 30 DHEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000370231510 1028581015 /nfs/dbraw/zinc/58/10/15/1028581015.db2.gz SGXWHGWGMIKPBO-OXQOHEQNSA-N 1 1 321.424 3.805 20 30 DHEDMO C[C@@H]1CCC[C@](CN[C@H]2CCc3ccc(C#N)cc32)([NH+](C)C)C1 ZINC000565690518 1028621215 /nfs/dbraw/zinc/62/12/15/1028621215.db2.gz WXZZYCKYNLUKCP-XPGWFJOJSA-N 1 1 311.473 3.646 20 30 DHEDMO N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H]2C2CC2)c2ccccc21 ZINC000371844041 1028766358 /nfs/dbraw/zinc/76/63/58/1028766358.db2.gz HTTFZJZIPWRPKX-GOSISDBHSA-N 1 1 321.424 3.612 20 30 DHEDMO N#Cc1ccc(CN[C@@H]2CC[N@H+](C3CCCCCC3)C2)s1 ZINC000371882216 1028773065 /nfs/dbraw/zinc/77/30/65/1028773065.db2.gz AVNDXQUJJAMVDU-CQSZACIVSA-N 1 1 303.475 3.506 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCN(C3CCCCCC3)C2)s1 ZINC000371882216 1028773082 /nfs/dbraw/zinc/77/30/82/1028773082.db2.gz AVNDXQUJJAMVDU-CQSZACIVSA-N 1 1 303.475 3.506 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000449546069 1028778999 /nfs/dbraw/zinc/77/89/99/1028778999.db2.gz ZYAOKPRDCZGAIE-UXHICEINSA-N 1 1 310.441 3.990 20 30 DHEDMO N#Cc1cc(C[NH2+][C@H](c2ccccc2)c2ccccn2)ccc1F ZINC000371954168 1028782366 /nfs/dbraw/zinc/78/23/66/1028782366.db2.gz MXAWZZFIKGFVBL-HXUWFJFHSA-N 1 1 317.367 3.972 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCCN(Cc2ccccc2F)CC1 ZINC000372407010 1028848463 /nfs/dbraw/zinc/84/84/63/1028848463.db2.gz GRGXRULWMYFPEO-UHFFFAOYSA-N 1 1 317.452 3.663 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC000372434092 1028853252 /nfs/dbraw/zinc/85/32/52/1028853252.db2.gz VUPLJSHNENOKNY-QGZVFWFLSA-N 1 1 312.438 3.882 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC000372434092 1028853271 /nfs/dbraw/zinc/85/32/71/1028853271.db2.gz VUPLJSHNENOKNY-QGZVFWFLSA-N 1 1 312.438 3.882 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cc1Cl ZINC000449619740 1028855090 /nfs/dbraw/zinc/85/50/90/1028855090.db2.gz QOCGZISCOXANHQ-HNNXBMFYSA-N 1 1 323.864 3.888 20 30 DHEDMO C=CCCCCCN(C)C(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000372447223 1028861308 /nfs/dbraw/zinc/86/13/08/1028861308.db2.gz PQIPLOZREVQZFJ-OAHLLOKOSA-N 1 1 317.477 3.843 20 30 DHEDMO CC#CCCCC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000816455889 1028878404 /nfs/dbraw/zinc/87/84/04/1028878404.db2.gz XLMGOZMBPSLXOZ-MJGOQNOKSA-N 1 1 313.441 3.634 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc2c(n1)CCC2 ZINC000567447762 1028895174 /nfs/dbraw/zinc/89/51/74/1028895174.db2.gz KGAYJHTZSHRLRD-UHFFFAOYSA-N 1 1 303.409 3.630 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc2c(n1)CCC2 ZINC000567447762 1028895191 /nfs/dbraw/zinc/89/51/91/1028895191.db2.gz KGAYJHTZSHRLRD-UHFFFAOYSA-N 1 1 303.409 3.630 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](COC)CC2)cc1OC ZINC000449781502 1028998452 /nfs/dbraw/zinc/99/84/52/1028998452.db2.gz XJTVMMCKSGSTRK-MRXNPFEDSA-N 1 1 319.445 3.509 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(OC)c(OCC)c(OC)c2)C1 ZINC000628405008 1029042609 /nfs/dbraw/zinc/04/26/09/1029042609.db2.gz BCBFTZIIPFRPLT-CQSZACIVSA-N 1 1 305.418 3.501 20 30 DHEDMO N#CC1(CC[N@@H+]2CCC[C@@H]2CN2CCCCC2)CCCCC1 ZINC000411216413 1029069798 /nfs/dbraw/zinc/06/97/98/1029069798.db2.gz JVMIXWBDGPHJEF-GOSISDBHSA-N 1 1 303.494 3.801 20 30 DHEDMO N#CC1(CC[N@H+]2CCC[C@@H]2CN2CCCCC2)CCCCC1 ZINC000411216413 1029069816 /nfs/dbraw/zinc/06/98/16/1029069816.db2.gz JVMIXWBDGPHJEF-GOSISDBHSA-N 1 1 303.494 3.801 20 30 DHEDMO CCCCCC[N@H+](C)CC(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000778666002 1029127530 /nfs/dbraw/zinc/12/75/30/1029127530.db2.gz IRBKMNGWJNDTRY-OAHLLOKOSA-N 1 1 302.418 3.675 20 30 DHEDMO CCCCCC[N@@H+](C)CC(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000778666002 1029127542 /nfs/dbraw/zinc/12/75/42/1029127542.db2.gz IRBKMNGWJNDTRY-OAHLLOKOSA-N 1 1 302.418 3.675 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000411488596 1029140164 /nfs/dbraw/zinc/14/01/64/1029140164.db2.gz ITPHXBLLTHHEPE-CYBMUJFWSA-N 1 1 317.385 3.759 20 30 DHEDMO C[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1cn(-c2ccccc2)nn1 ZINC000411539110 1029156045 /nfs/dbraw/zinc/15/60/45/1029156045.db2.gz VIFDIGGWZGCLKZ-MRXNPFEDSA-N 1 1 323.444 3.782 20 30 DHEDMO N#CC1(CC[N@H+]2CC[C@@H](OCc3ccncc3)C2)CCCCC1 ZINC000411660370 1029180386 /nfs/dbraw/zinc/18/03/86/1029180386.db2.gz BARQCBIEUFIMAV-GOSISDBHSA-N 1 1 313.445 3.537 20 30 DHEDMO C[C@H](C#N)C[N@H+](CCn1ccc2cc(Cl)ccc21)C1CC1 ZINC000569157301 1029185752 /nfs/dbraw/zinc/18/57/52/1029185752.db2.gz JBXHGHPMJZBNMQ-CYBMUJFWSA-N 1 1 301.821 3.919 20 30 DHEDMO C[C@H](C#N)C[N@@H+](CCn1ccc2cc(Cl)ccc21)C1CC1 ZINC000569157301 1029185755 /nfs/dbraw/zinc/18/57/55/1029185755.db2.gz JBXHGHPMJZBNMQ-CYBMUJFWSA-N 1 1 301.821 3.919 20 30 DHEDMO CC[N@H+](CCC1(C#N)CCCCC1)CC(=O)N1CCCCCC1 ZINC000411718538 1029195019 /nfs/dbraw/zinc/19/50/19/1029195019.db2.gz COHFFTWBCRMVKS-UHFFFAOYSA-N 1 1 319.493 3.575 20 30 DHEDMO CC[N@@H+](CCC1(C#N)CCCCC1)CC(=O)N1CCCCCC1 ZINC000411718538 1029195025 /nfs/dbraw/zinc/19/50/25/1029195025.db2.gz COHFFTWBCRMVKS-UHFFFAOYSA-N 1 1 319.493 3.575 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)Cc2ccc(Br)cc2)C1 ZINC001257567347 1029234096 /nfs/dbraw/zinc/23/40/96/1029234096.db2.gz JVJUSYMCVJXXLH-UONOGXRCSA-N 1 1 306.247 3.725 20 30 DHEDMO CC[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@H](C)C#N ZINC000120494960 1029242612 /nfs/dbraw/zinc/24/26/12/1029242612.db2.gz GZOBFVMOZIOZEC-GFCCVEGCSA-N 1 1 302.809 3.712 20 30 DHEDMO CC[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@H](C)C#N ZINC000120494960 1029242628 /nfs/dbraw/zinc/24/26/28/1029242628.db2.gz GZOBFVMOZIOZEC-GFCCVEGCSA-N 1 1 302.809 3.712 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c(Cl)c1 ZINC000411925999 1029245580 /nfs/dbraw/zinc/24/55/80/1029245580.db2.gz OLXHZWSUUACMQV-AEFFLSMTSA-N 1 1 312.800 3.520 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c(Cl)c1 ZINC000411925999 1029245598 /nfs/dbraw/zinc/24/55/98/1029245598.db2.gz OLXHZWSUUACMQV-AEFFLSMTSA-N 1 1 312.800 3.520 20 30 DHEDMO Cn1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1C#N ZINC000569769449 1029263891 /nfs/dbraw/zinc/26/38/91/1029263891.db2.gz WCZRLRHMNNHISZ-XUVXKRRUSA-N 1 1 305.425 3.665 20 30 DHEDMO Cn1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1C#N ZINC000569769451 1029265276 /nfs/dbraw/zinc/26/52/76/1029265276.db2.gz WCZRLRHMNNHISZ-ZCNNSNEGSA-N 1 1 305.425 3.665 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c1F ZINC000569970514 1029295707 /nfs/dbraw/zinc/29/57/07/1029295707.db2.gz OXNWSFYFWDQSNS-HXUWFJFHSA-N 1 1 322.383 3.667 20 30 DHEDMO COc1ccc(C[NH2+]CC2(C#N)CC2)cc1OCCC(C)C ZINC000569997983 1029296635 /nfs/dbraw/zinc/29/66/35/1029296635.db2.gz FXLPYQQJXDTEAK-UHFFFAOYSA-N 1 1 302.418 3.513 20 30 DHEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1SC)C1CCCC1 ZINC000155843804 1029316784 /nfs/dbraw/zinc/31/67/84/1029316784.db2.gz RRYRSWUTGXBBLP-UHFFFAOYSA-N 1 1 316.470 3.615 20 30 DHEDMO C[C@@H](Cc1ccccc1)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000570203319 1029331989 /nfs/dbraw/zinc/33/19/89/1029331989.db2.gz FWADAEJXHBKQSX-SFHVURJKSA-N 1 1 322.452 3.885 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374562338 1029387227 /nfs/dbraw/zinc/38/72/27/1029387227.db2.gz PKTFRXFUWZAKCN-HXUWFJFHSA-N 1 1 314.473 3.733 20 30 DHEDMO N#CCSCCC[N@H+]1CC[C@](F)(c2ccccc2Cl)C1 ZINC000374687528 1029434882 /nfs/dbraw/zinc/43/48/82/1029434882.db2.gz RXSMJMJCWMSDNQ-OAHLLOKOSA-N 1 1 312.841 3.857 20 30 DHEDMO N#CCSCCC[N@@H+]1CC[C@](F)(c2ccccc2Cl)C1 ZINC000374687528 1029434888 /nfs/dbraw/zinc/43/48/88/1029434888.db2.gz RXSMJMJCWMSDNQ-OAHLLOKOSA-N 1 1 312.841 3.857 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+](Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000156414581 1029449515 /nfs/dbraw/zinc/44/95/15/1029449515.db2.gz SZMWBBXHAODWNQ-HXUWFJFHSA-N 1 1 324.399 3.643 20 30 DHEDMO CCc1cc(CCC[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)on1 ZINC000450451133 1029485434 /nfs/dbraw/zinc/48/54/34/1029485434.db2.gz ISWXWVJMJFHRFW-UXHICEINSA-N 1 1 323.440 3.941 20 30 DHEDMO CCc1cc(CCC[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)on1 ZINC000450451133 1029485442 /nfs/dbraw/zinc/48/54/42/1029485442.db2.gz ISWXWVJMJFHRFW-UXHICEINSA-N 1 1 323.440 3.941 20 30 DHEDMO C[C@@H](O)C[N@@H+](CC1(C#N)CCC1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000450904037 1029731577 /nfs/dbraw/zinc/73/15/77/1029731577.db2.gz DLDUYDHAAMRYAC-LSDHHAIUSA-N 1 1 320.864 3.648 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303549426 1029782587 /nfs/dbraw/zinc/78/25/87/1029782587.db2.gz JJYMKECMEKARBD-IEBWSBKVSA-N 1 1 304.478 3.622 20 30 DHEDMO N#CCCOCC[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC000451158384 1029805725 /nfs/dbraw/zinc/80/57/25/1029805725.db2.gz KLFYDTROMCPVAQ-UHFFFAOYSA-N 1 1 306.409 3.642 20 30 DHEDMO O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000451347395 1029847917 /nfs/dbraw/zinc/84/79/17/1029847917.db2.gz UHRHZPPZFWRJEI-GUDVDZBRSA-N 1 1 317.860 3.707 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451353350 1029853100 /nfs/dbraw/zinc/85/31/00/1029853100.db2.gz NZYCNOWEYJEMTL-RCCFBDPRSA-N 1 1 318.848 3.727 20 30 DHEDMO N#CC1(C[NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000451531482 1029890278 /nfs/dbraw/zinc/89/02/78/1029890278.db2.gz RTUKNMCFVWNMFW-UHFFFAOYSA-N 1 1 306.812 3.990 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543415 1029909143 /nfs/dbraw/zinc/90/91/43/1029909143.db2.gz BJSCHZFXZBKOBA-HNNXBMFYSA-N 1 1 301.390 3.714 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](c3cccc(Br)c3)C2)C1 ZINC000451565816 1029922115 /nfs/dbraw/zinc/92/21/15/1029922115.db2.gz IKOBSVCPMWDCLN-XNRPHZJLSA-N 1 1 319.246 3.931 20 30 DHEDMO C[N@@H+](CCCCNc1ccc(C#N)cc1Br)C1CC1 ZINC000413344002 1029963925 /nfs/dbraw/zinc/96/39/25/1029963925.db2.gz BVOKTVVSZPNFIO-UHFFFAOYSA-N 1 1 322.250 3.607 20 30 DHEDMO C=C(C)CN1c2ccccc2[C@]2(CC[N@H+](CC/C=C\CC)C2)C1=O ZINC001276260057 1029968773 /nfs/dbraw/zinc/96/87/73/1029968773.db2.gz WQOWYJZMJAAIHC-QEVIJRNUSA-N 1 1 324.468 3.909 20 30 DHEDMO C=CCOc1cccc(CNc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000777513589 1030086695 /nfs/dbraw/zinc/08/66/95/1030086695.db2.gz CLNQTRIEQUXYGT-UHFFFAOYSA-N 1 1 320.396 3.753 20 30 DHEDMO C[C@@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C ZINC000245847926 1030156381 /nfs/dbraw/zinc/15/63/81/1030156381.db2.gz CMVRZWZOTZYYGJ-HZPDHXFCSA-N 1 1 323.440 3.716 20 30 DHEDMO CCC(C)(C)[N@@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000357755760 1030175150 /nfs/dbraw/zinc/17/51/50/1030175150.db2.gz KHIPXYVPDCADCR-UHFFFAOYSA-N 1 1 315.461 3.671 20 30 DHEDMO C[C@H]([NH2+][C@H]1CSCc2ccccc21)c1cccc(C#N)c1O ZINC000866250032 1030179732 /nfs/dbraw/zinc/17/97/32/1030179732.db2.gz SKHKPICBZURWEA-SJCJKPOMSA-N 1 1 310.422 3.903 20 30 DHEDMO C[C@H]([NH2+][C@@H](c1ccccc1)[C@H]1CCCO1)c1cccc(C#N)c1O ZINC000866250144 1030180741 /nfs/dbraw/zinc/18/07/41/1030180741.db2.gz VICYIJWCQLBCPV-KYNGSXCRSA-N 1 1 322.408 3.835 20 30 DHEDMO CCSc1ccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)cc1 ZINC000823128512 1030217071 /nfs/dbraw/zinc/21/70/71/1030217071.db2.gz IPDWHUDEEPKRPG-ZDUSSCGKSA-N 1 1 302.403 3.542 20 30 DHEDMO C=CCC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000357851748 1030221114 /nfs/dbraw/zinc/22/11/14/1030221114.db2.gz VQPBNHIGKFGNKZ-WMZOPIPTSA-N 1 1 317.477 3.722 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)C(C)C ZINC000533247396 1030221775 /nfs/dbraw/zinc/22/17/75/1030221775.db2.gz BRQQRAQKHZQAPZ-CQSZACIVSA-N 1 1 306.475 3.880 20 30 DHEDMO Cc1ccccc1[C@H](c1noc([C@@H]([NH3+])CCCC#N)n1)C(C)C ZINC000823210273 1030230405 /nfs/dbraw/zinc/23/04/05/1030230405.db2.gz PAQABUFFKRHGCI-JKSUJKDBSA-N 1 1 312.417 3.860 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000533292122 1030247244 /nfs/dbraw/zinc/24/72/44/1030247244.db2.gz SNQUHRXULZWKHY-KGLIPLIRSA-N 1 1 304.459 3.634 20 30 DHEDMO C[C@@H](O)C[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccccc1 ZINC000533332820 1030280621 /nfs/dbraw/zinc/28/06/21/1030280621.db2.gz HGRNEYPPWVVAOT-MRXNPFEDSA-N 1 1 313.828 3.575 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1cccc(Cl)c1 ZINC000823616606 1030342589 /nfs/dbraw/zinc/34/25/89/1030342589.db2.gz BBHCDXIIJPEFMK-FZKQIMNGSA-N 1 1 314.816 3.938 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000533436714 1030354169 /nfs/dbraw/zinc/35/41/69/1030354169.db2.gz OFRHMAIHGDCVLF-CYBMUJFWSA-N 1 1 324.852 3.882 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000455246772 1030377144 /nfs/dbraw/zinc/37/71/44/1030377144.db2.gz NIYDBQMIEXVAEH-HNNXBMFYSA-N 1 1 315.461 3.612 20 30 DHEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccccc1OC(F)F ZINC000558246611 1030494552 /nfs/dbraw/zinc/49/45/52/1030494552.db2.gz RYQPUTGFHVFZPF-OAHLLOKOSA-N 1 1 317.339 3.796 20 30 DHEDMO CC(C)c1cccc(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)c1 ZINC000867946464 1030504098 /nfs/dbraw/zinc/50/40/98/1030504098.db2.gz RCKCZPZVMAMNPZ-IBGZPJMESA-N 1 1 319.408 3.507 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(C(C)N=Nc2ncccc2F)cc1 ZINC000794984027 1030527030 /nfs/dbraw/zinc/52/70/30/1030527030.db2.gz HEPVYPGAGXRJDD-UHFFFAOYSA-N 1 1 309.348 3.551 20 30 DHEDMO CCc1noc(CC)c1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358560952 1030537629 /nfs/dbraw/zinc/53/76/29/1030537629.db2.gz QVRPFDRVCOAEJX-LLVKDONJSA-N 1 1 301.365 3.661 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2cccc3ccccc32)C1=O ZINC001275606305 1030564290 /nfs/dbraw/zinc/56/42/90/1030564290.db2.gz YUYFKYZXQWUNQB-NRFANRHFSA-N 1 1 320.436 3.593 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C)c(F)c1 ZINC000558413101 1030565144 /nfs/dbraw/zinc/56/51/44/1030565144.db2.gz BGIOROALUOPQLM-UHFFFAOYSA-N 1 1 303.377 3.798 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C)c(F)c1 ZINC000558413101 1030565153 /nfs/dbraw/zinc/56/51/53/1030565153.db2.gz BGIOROALUOPQLM-UHFFFAOYSA-N 1 1 303.377 3.798 20 30 DHEDMO C#CC[N@@H+](Cc1cc(COC)cs1)Cc1ccc(F)cc1 ZINC000824632621 1030597957 /nfs/dbraw/zinc/59/79/57/1030597957.db2.gz NOYHCJWHKSVWEM-UHFFFAOYSA-N 1 1 303.402 3.669 20 30 DHEDMO C#CC[N@H+](Cc1cc(COC)cs1)Cc1ccc(F)cc1 ZINC000824632621 1030597963 /nfs/dbraw/zinc/59/79/63/1030597963.db2.gz NOYHCJWHKSVWEM-UHFFFAOYSA-N 1 1 303.402 3.669 20 30 DHEDMO C[C@H](c1cccc(N[C@@H](C)CC(C)(C)C#N)c1)[NH+]1CCOCC1 ZINC000926083560 1030602127 /nfs/dbraw/zinc/60/21/27/1030602127.db2.gz DBUGXZXUIXLZEB-JKSUJKDBSA-N 1 1 315.461 3.820 20 30 DHEDMO C=CC1(CC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CCCCC1 ZINC000824658774 1030603834 /nfs/dbraw/zinc/60/38/34/1030603834.db2.gz PPLSCNDTWWIQFN-MRXNPFEDSA-N 1 1 306.494 3.750 20 30 DHEDMO C#Cc1ccc(C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000825332474 1030779005 /nfs/dbraw/zinc/77/90/05/1030779005.db2.gz YCLSZKRJGZJMPY-UHFFFAOYSA-N 1 1 324.390 3.517 20 30 DHEDMO Cc1cc(C)c(COC(=O)CC2(C#N)CCCCC2)c(C)[nH+]1 ZINC000869552195 1030798933 /nfs/dbraw/zinc/79/89/33/1030798933.db2.gz PJAYICKCZVZAHU-UHFFFAOYSA-N 1 1 300.402 3.914 20 30 DHEDMO COCC[N@@H+](CCC#N)CC1CCC(c2ccccc2)CC1 ZINC000614908428 1030843944 /nfs/dbraw/zinc/84/39/44/1030843944.db2.gz AQFAYAYVIBKNEU-UHFFFAOYSA-N 1 1 300.446 3.822 20 30 DHEDMO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1C(F)(F)F ZINC001143644796 1030876888 /nfs/dbraw/zinc/87/68/88/1030876888.db2.gz KCDLSVZZGKOYEQ-ZSOGYDGISA-N 1 1 324.346 3.981 20 30 DHEDMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1C(F)(F)F ZINC001143644796 1030876906 /nfs/dbraw/zinc/87/69/06/1030876906.db2.gz KCDLSVZZGKOYEQ-ZSOGYDGISA-N 1 1 324.346 3.981 20 30 DHEDMO COc1ccccc1OCC[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000122863874 1030909460 /nfs/dbraw/zinc/90/94/60/1030909460.db2.gz KWJDJGJEUXUVBU-HNNXBMFYSA-N 1 1 310.397 3.639 20 30 DHEDMO N#Cc1cccc(Cl)c1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001143731693 1030936957 /nfs/dbraw/zinc/93/69/57/1030936957.db2.gz BBAWNAYJYVIAFU-UHFFFAOYSA-N 1 1 304.821 3.745 20 30 DHEDMO C[C@@H](CC#N)[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000161876677 1030952440 /nfs/dbraw/zinc/95/24/40/1030952440.db2.gz XPJIXOBTSGCETO-JTQLQIEISA-N 1 1 314.216 3.556 20 30 DHEDMO C[C@@H](CC#N)[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000161876677 1030952449 /nfs/dbraw/zinc/95/24/49/1030952449.db2.gz XPJIXOBTSGCETO-JTQLQIEISA-N 1 1 314.216 3.556 20 30 DHEDMO COc1ccnc([C@H](C)[NH2+]Cc2ccc(SC)c(C#N)c2)c1 ZINC000926867502 1030958492 /nfs/dbraw/zinc/95/84/92/1030958492.db2.gz DCRZCVWEJPMSJL-LBPRGKRZSA-N 1 1 313.426 3.535 20 30 DHEDMO COc1ccnc([C@@H](C)[NH2+]Cc2ccc(SC)c(C#N)c2)c1 ZINC000926867500 1030959871 /nfs/dbraw/zinc/95/98/71/1030959871.db2.gz DCRZCVWEJPMSJL-GFCCVEGCSA-N 1 1 313.426 3.535 20 30 DHEDMO C[N@H+](Cc1cccc(C(F)F)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370795 1031071280 /nfs/dbraw/zinc/07/12/80/1031071280.db2.gz JLQUOTQSPHPFEF-QGZVFWFLSA-N 1 1 316.351 3.661 20 30 DHEDMO CCc1cc(N2CC=C(c3ccc(C#N)cc3)CC2)nc(C)[nH+]1 ZINC000359732841 1031118554 /nfs/dbraw/zinc/11/85/54/1031118554.db2.gz TUZWMHBXJGJDAP-UHFFFAOYSA-N 1 1 304.397 3.513 20 30 DHEDMO CCCCOc1ccc(C[N@H+](CCC#N)C(C)C)cc1OC ZINC000536645153 1031156143 /nfs/dbraw/zinc/15/61/43/1031156143.db2.gz CEXXHOPTKOPWKE-UHFFFAOYSA-N 1 1 304.434 3.998 20 30 DHEDMO CCCCOc1ccc(C[N@@H+](CCC#N)C(C)C)cc1OC ZINC000536645153 1031156150 /nfs/dbraw/zinc/15/61/50/1031156150.db2.gz CEXXHOPTKOPWKE-UHFFFAOYSA-N 1 1 304.434 3.998 20 30 DHEDMO N#Cc1ccccc1C[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000292747173 1031156248 /nfs/dbraw/zinc/15/62/48/1031156248.db2.gz NNUGZTLZORABBI-LJQANCHMSA-N 1 1 306.409 3.552 20 30 DHEDMO C=CCCn1cc(C[N@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)nn1 ZINC000653712467 1031169381 /nfs/dbraw/zinc/16/93/81/1031169381.db2.gz GLJVJJFQCFWMJV-GPMSIDNRSA-N 1 1 310.445 3.621 20 30 DHEDMO C=CC[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001144029011 1031185448 /nfs/dbraw/zinc/18/54/48/1031185448.db2.gz OVRMAHLDVLAWSK-AEFFLSMTSA-N 1 1 314.473 3.616 20 30 DHEDMO C[N@H+](Cc1cncc(C#N)c1)Cc1cc(Cl)cc(Cl)c1 ZINC001144086761 1031222414 /nfs/dbraw/zinc/22/24/14/1031222414.db2.gz ZGNBDESFLLPNTC-UHFFFAOYSA-N 1 1 306.196 3.892 20 30 DHEDMO C[N@@H+](Cc1cncc(C#N)c1)Cc1cc(Cl)cc(Cl)c1 ZINC001144086761 1031222429 /nfs/dbraw/zinc/22/24/29/1031222429.db2.gz ZGNBDESFLLPNTC-UHFFFAOYSA-N 1 1 306.196 3.892 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCO2 ZINC000536669384 1031366794 /nfs/dbraw/zinc/36/67/94/1031366794.db2.gz ADFITDAIMUGGCP-WOJBJXKFSA-N 1 1 318.420 3.893 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc2c(c1)CCO2 ZINC000536669384 1031366814 /nfs/dbraw/zinc/36/68/14/1031366814.db2.gz ADFITDAIMUGGCP-WOJBJXKFSA-N 1 1 318.420 3.893 20 30 DHEDMO C=CCc1cc(C[N@H+]2CC[C@H]2Cc2ccccc2)cc(OC)c1O ZINC000536663920 1031372085 /nfs/dbraw/zinc/37/20/85/1031372085.db2.gz WTLATJRWZIDVJD-IBGZPJMESA-N 1 1 323.436 3.946 20 30 DHEDMO C[C@@H]1CCSCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000429765114 1031474773 /nfs/dbraw/zinc/47/47/73/1031474773.db2.gz AALVQZVDAQUTPU-CYBMUJFWSA-N 1 1 313.388 3.884 20 30 DHEDMO N#CC1CCC(CN2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000929318413 1031491041 /nfs/dbraw/zinc/49/10/41/1031491041.db2.gz IARFEUZGUBGVSL-UHFFFAOYSA-N 1 1 317.521 3.904 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCCN(CC3CCCCC3)CC2)CC1 ZINC000929318413 1031491046 /nfs/dbraw/zinc/49/10/46/1031491046.db2.gz IARFEUZGUBGVSL-UHFFFAOYSA-N 1 1 317.521 3.904 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCCN(CC3CCCCC3)CC2)CC1 ZINC000929318413 1031491062 /nfs/dbraw/zinc/49/10/62/1031491062.db2.gz IARFEUZGUBGVSL-UHFFFAOYSA-N 1 1 317.521 3.904 20 30 DHEDMO COc1ccccc1OCC[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000929316508 1031491745 /nfs/dbraw/zinc/49/17/45/1031491745.db2.gz WHQGCQOKAOSZOX-UHFFFAOYSA-N 1 1 316.445 3.870 20 30 DHEDMO CC[N@@H+](CCOC1CCSCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000929330994 1031495828 /nfs/dbraw/zinc/49/58/28/1031495828.db2.gz NILODRHKPLGOKU-HNNXBMFYSA-N 1 1 318.486 3.853 20 30 DHEDMO CCC[N@@H+](Cc1cncc(C#N)c1)[C@H](C)c1ccccc1OC ZINC000929381723 1031508250 /nfs/dbraw/zinc/50/82/50/1031508250.db2.gz BOGJFBAQOYWSHA-OAHLLOKOSA-N 1 1 309.413 3.935 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)ccc1F ZINC000360677196 1031518855 /nfs/dbraw/zinc/51/88/55/1031518855.db2.gz WNHFEYZIPIWZRV-HXUWFJFHSA-N 1 1 322.383 3.719 20 30 DHEDMO C#C[C@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000872139998 1031533942 /nfs/dbraw/zinc/53/39/42/1031533942.db2.gz VAVCAWGFYCUIAS-RMVXJAJNSA-N 1 1 310.485 3.679 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cccc(OC(C)C)c2)no1 ZINC000872175940 1031549407 /nfs/dbraw/zinc/54/94/07/1031549407.db2.gz MJCQCSXSCWKALW-CYBMUJFWSA-N 1 1 307.781 3.666 20 30 DHEDMO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1N(C)C)c1cccc(C#N)c1 ZINC000360758832 1031550601 /nfs/dbraw/zinc/55/06/01/1031550601.db2.gz JCDCWHRBNVTFJC-IWMITWMQSA-N 1 1 319.452 3.827 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(Cc2c(C)cc(C)cc2C)no1 ZINC000872173524 1031551173 /nfs/dbraw/zinc/55/11/73/1031551173.db2.gz QNLZIRWFPJCAHC-CQSZACIVSA-N 1 1 305.809 3.728 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(SCC)cc2)no1 ZINC000872179760 1031552271 /nfs/dbraw/zinc/55/22/71/1031552271.db2.gz FZMWKBQCIVFLJZ-LBPRGKRZSA-N 1 1 309.822 3.991 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(C(C)(F)F)cc2)no1 ZINC000872182432 1031553813 /nfs/dbraw/zinc/55/38/13/1031553813.db2.gz LSTLITQMZUIUOK-NSHDSACASA-N 1 1 313.735 3.991 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C2(c3cccc(C)c3)CC2)no1 ZINC000872182597 1031554298 /nfs/dbraw/zinc/55/42/98/1031554298.db2.gz OFAHQWZRRXIKSY-ZDUSSCGKSA-N 1 1 303.793 3.600 20 30 DHEDMO N#Cc1ccc(CNC[C@H]2CCC[N@H+]2CC2CCCCC2)s1 ZINC000537291027 1031556670 /nfs/dbraw/zinc/55/66/70/1031556670.db2.gz VFDBRESUAAISBT-MRXNPFEDSA-N 1 1 317.502 3.754 20 30 DHEDMO N#Cc1ccc(C[NH2+]C[C@H]2CCCN2CC2CCCCC2)s1 ZINC000537291027 1031556675 /nfs/dbraw/zinc/55/66/75/1031556675.db2.gz VFDBRESUAAISBT-MRXNPFEDSA-N 1 1 317.502 3.754 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2NCCC[NH+]1CCCCC1 ZINC000360832064 1031578510 /nfs/dbraw/zinc/57/85/10/1031578510.db2.gz FVOIWBLXINEXIP-HXUWFJFHSA-N 1 1 311.473 3.791 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCN1CCCCC1 ZINC000360832064 1031578521 /nfs/dbraw/zinc/57/85/21/1031578521.db2.gz FVOIWBLXINEXIP-HXUWFJFHSA-N 1 1 311.473 3.791 20 30 DHEDMO COCC[N@@H+](CCCc1ccsc1)Cc1ccc(C#N)cc1 ZINC000360897717 1031611384 /nfs/dbraw/zinc/61/13/84/1031611384.db2.gz VPHNLABBJJGTME-UHFFFAOYSA-N 1 1 314.454 3.701 20 30 DHEDMO C#CC[N@H+]([C@@H]1Cc2ccc(OC)cc2C1)[C@@H]1CCc2ccccc21 ZINC001168278913 1031616717 /nfs/dbraw/zinc/61/67/17/1031616717.db2.gz GSVWSPNMRZNSRP-DENIHFKCSA-N 1 1 317.432 3.785 20 30 DHEDMO CCS[C@@H](C)c1noc(C[N@H+](C)CC2CCC(C#N)CC2)n1 ZINC000929850669 1031624812 /nfs/dbraw/zinc/62/48/12/1031624812.db2.gz LYSXBUXJEOGIJF-HSBZDZAISA-N 1 1 322.478 3.645 20 30 DHEDMO CCS[C@@H](C)c1noc(C[N@@H+](C)CC2CCC(C#N)CC2)n1 ZINC000929850669 1031624831 /nfs/dbraw/zinc/62/48/31/1031624831.db2.gz LYSXBUXJEOGIJF-HSBZDZAISA-N 1 1 322.478 3.645 20 30 DHEDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC001144490029 1031641693 /nfs/dbraw/zinc/64/16/93/1031641693.db2.gz UFUICPKNPUHHCA-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(CC(C)(C)C)CC1 ZINC001171193830 1031654445 /nfs/dbraw/zinc/65/44/45/1031654445.db2.gz CVVLKFWNTACARM-MRXNPFEDSA-N 1 1 313.489 3.589 20 30 DHEDMO CC[N@@H+](C[C@H](O)CC#N)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000929968005 1031663006 /nfs/dbraw/zinc/66/30/06/1031663006.db2.gz KGFLXQPSDMKTNG-MOPGFXCFSA-N 1 1 312.388 3.512 20 30 DHEDMO CC[N@@H+](C[C@H](O)CC#N)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000929968008 1031663329 /nfs/dbraw/zinc/66/33/29/1031663329.db2.gz KGFLXQPSDMKTNG-RTBURBONSA-N 1 1 312.388 3.512 20 30 DHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000873049630 1031699540 /nfs/dbraw/zinc/69/95/40/1031699540.db2.gz CRCBQIQUOBJLIR-INIZCTEOSA-N 1 1 323.371 3.668 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001144580506 1031717895 /nfs/dbraw/zinc/71/78/95/1031717895.db2.gz FCNLNCFDRLFRNB-OAQYLSRUSA-N 1 1 316.404 3.583 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CC=C(c3ccc(OC)cc3)CC2)cc1 ZINC001144578324 1031718261 /nfs/dbraw/zinc/71/82/61/1031718261.db2.gz AJSHGLCDZBPBKO-UHFFFAOYSA-N 1 1 303.405 3.966 20 30 DHEDMO CCOc1ccc(C2=CC[N@H+](Cc3cncc(C#N)c3)CC2)cc1 ZINC000930164578 1031718290 /nfs/dbraw/zinc/71/82/90/1031718290.db2.gz ZBOYODJMQJMHJF-UHFFFAOYSA-N 1 1 319.408 3.641 20 30 DHEDMO CCOc1ccc(C2=CC[N@@H+](Cc3cncc(C#N)c3)CC2)cc1 ZINC000930164578 1031718297 /nfs/dbraw/zinc/71/82/97/1031718297.db2.gz ZBOYODJMQJMHJF-UHFFFAOYSA-N 1 1 319.408 3.641 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCSC[C@@H]2c2cccc(OC)c2)cc1 ZINC001144581088 1031718820 /nfs/dbraw/zinc/71/88/20/1031718820.db2.gz NMQJBVCLKSAFQB-HXUWFJFHSA-N 1 1 323.461 3.967 20 30 DHEDMO Cc1cc(C2CC[NH+](CCCCC3(C#N)CCC3)CC2)n[nH]1 ZINC000930175156 1031723506 /nfs/dbraw/zinc/72/35/06/1031723506.db2.gz QYQGPCVQNKHULM-UHFFFAOYSA-N 1 1 300.450 3.762 20 30 DHEDMO C#Cc1ccc(C[N@@H+](Cc2ccccc2)C2CCOCC2)cc1 ZINC001144576552 1031723676 /nfs/dbraw/zinc/72/36/76/1031723676.db2.gz MVRKNEVITBQKSC-UHFFFAOYSA-N 1 1 305.421 3.849 20 30 DHEDMO C#Cc1ccc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)cc1 ZINC001144573942 1031725144 /nfs/dbraw/zinc/72/51/44/1031725144.db2.gz UXLIFDLHBVJXAR-UHFFFAOYSA-N 1 1 304.437 3.900 20 30 DHEDMO C=CCc1cc(C[N@@H+]2Cc3ccc(C)cc3C2)cc(OC)c1O ZINC000361115001 1031735671 /nfs/dbraw/zinc/73/56/71/1031735671.db2.gz VROOKENYAUCQAF-UHFFFAOYSA-N 1 1 309.409 3.954 20 30 DHEDMO C=CCc1cc(C[N@H+]2Cc3ccc(C)cc3C2)cc(OC)c1O ZINC000361115001 1031735689 /nfs/dbraw/zinc/73/56/89/1031735689.db2.gz VROOKENYAUCQAF-UHFFFAOYSA-N 1 1 309.409 3.954 20 30 DHEDMO Cc1cc(C[NH2+]Cc2nc(C#N)cs2)cc(C)c1OC(F)F ZINC000897631772 1031755071 /nfs/dbraw/zinc/75/50/71/1031755071.db2.gz APLWENHURWMTPH-UHFFFAOYSA-N 1 1 323.368 3.523 20 30 DHEDMO COC[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000561209765 1031767242 /nfs/dbraw/zinc/76/72/42/1031767242.db2.gz PKRZUHIGCLCSBK-SFHVURJKSA-N 1 1 317.791 3.808 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CC2CCC(C#N)CC2)C1 ZINC000930299612 1031774395 /nfs/dbraw/zinc/77/43/95/1031774395.db2.gz HDWNDAAJZZNSJM-XQXVCDEPSA-N 1 1 318.505 3.968 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@H+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171203679 1031787871 /nfs/dbraw/zinc/78/78/71/1031787871.db2.gz OVQIVPCOVIBWDB-APWZRJJASA-N 1 1 320.436 3.987 20 30 DHEDMO CC(C)c1[nH+]c(CN=Nc2cc(Cl)ccn2)c2ccccn21 ZINC000777906707 1031821376 /nfs/dbraw/zinc/82/13/76/1031821376.db2.gz LCYONBHDLAEVEC-UHFFFAOYSA-N 1 1 313.792 3.952 20 30 DHEDMO SC1CC[NH+](Cc2cc(Cl)cc(Br)c2)CC1 ZINC001144689998 1031849157 /nfs/dbraw/zinc/84/91/57/1031849157.db2.gz SOQQJVGJNMIAIZ-UHFFFAOYSA-N 1 1 320.683 3.997 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c2cc(Br)cnc12 ZINC001144703662 1031851079 /nfs/dbraw/zinc/85/10/79/1031851079.db2.gz FHACFZUNBHUYDW-UHFFFAOYSA-N 1 1 308.223 3.723 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001171210943 1031857027 /nfs/dbraw/zinc/85/70/27/1031857027.db2.gz XTEZTQHAFLKTEL-IUODEOHRSA-N 1 1 314.326 3.713 20 30 DHEDMO CC(C)OCc1nc([C@H](C)[NH2+]CCCCC2(C#N)CCC2)no1 ZINC000930525891 1031857346 /nfs/dbraw/zinc/85/73/46/1031857346.db2.gz YZJCUOGFNCASGB-AWEZNQCLSA-N 1 1 320.437 3.509 20 30 DHEDMO C=CCCCCCCCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000846159791 1031887444 /nfs/dbraw/zinc/88/74/44/1031887444.db2.gz JWXCVFIMPZRCGO-QGZVFWFLSA-N 1 1 317.477 3.787 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000930612635 1031891101 /nfs/dbraw/zinc/89/11/01/1031891101.db2.gz UNWPTOANVWKZBD-SXLOBPIMSA-N 1 1 312.457 3.691 20 30 DHEDMO Cc1c2cccc(C)c2oc1C[N@@H+](C)Cc1cncc(C#N)c1 ZINC000930855880 1031965662 /nfs/dbraw/zinc/96/56/62/1031965662.db2.gz KOADCQHEZBEWKQ-UHFFFAOYSA-N 1 1 305.381 3.948 20 30 DHEDMO Cc1c2cccc(C)c2oc1C[N@H+](C)Cc1cncc(C#N)c1 ZINC000930855880 1031965672 /nfs/dbraw/zinc/96/56/72/1031965672.db2.gz KOADCQHEZBEWKQ-UHFFFAOYSA-N 1 1 305.381 3.948 20 30 DHEDMO COc1cccc(CC[N@@H+](C)[C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171225063 1031978301 /nfs/dbraw/zinc/97/83/01/1031978301.db2.gz XKKONINUWBDZRD-INIZCTEOSA-N 1 1 308.425 3.672 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC001171228075 1031992049 /nfs/dbraw/zinc/99/20/49/1031992049.db2.gz DRHIOWYHUCIOPH-QGZVFWFLSA-N 1 1 322.452 3.762 20 30 DHEDMO COc1ccc([C@@H]2CC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)cc1 ZINC001171229373 1031995434 /nfs/dbraw/zinc/99/54/34/1031995434.db2.gz MVPIQDKFUXIMPB-OXQOHEQNSA-N 1 1 320.436 3.987 20 30 DHEDMO C=CCCC[N@H+](CC)Cc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000898244658 1031999006 /nfs/dbraw/zinc/99/90/06/1031999006.db2.gz OUTIROIROZWXCG-UHFFFAOYSA-N 1 1 322.453 3.555 20 30 DHEDMO C=CCCC[N@H+](CC)Cc1ccc(NC(=O)OC(C)(C)C)nn1 ZINC000898244995 1031999336 /nfs/dbraw/zinc/99/93/36/1031999336.db2.gz UCHPWWQLGMFDDA-UHFFFAOYSA-N 1 1 320.437 3.612 20 30 DHEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171230317 1032003655 /nfs/dbraw/zinc/00/36/55/1032003655.db2.gz CNSZUNAQEPULMG-HNNXBMFYSA-N 1 1 322.408 3.740 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCCc3ccc(F)cc32)c1 ZINC000877492036 1033323351 /nfs/dbraw/zinc/32/33/51/1033323351.db2.gz ZUXZLWJWFAMIGY-MRXNPFEDSA-N 1 1 315.779 3.913 20 30 DHEDMO C#CCCCCCC[N@@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000877533903 1033339609 /nfs/dbraw/zinc/33/96/09/1033339609.db2.gz UQFNVVRJGKZVBQ-MRXNPFEDSA-N 1 1 314.477 3.896 20 30 DHEDMO C#CCCCCCC[N@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000877533903 1033339624 /nfs/dbraw/zinc/33/96/24/1033339624.db2.gz UQFNVVRJGKZVBQ-MRXNPFEDSA-N 1 1 314.477 3.896 20 30 DHEDMO COC(=O)[C@H]1CCC[C@H]([N@@H+](CCC#N)Cc2ccccc2)CC1 ZINC001172782661 1033367205 /nfs/dbraw/zinc/36/72/05/1033367205.db2.gz HYSNPPNUCLOMGS-ROUUACIJSA-N 1 1 314.429 3.524 20 30 DHEDMO CC(C)(C)c1ccncc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877588561 1033369354 /nfs/dbraw/zinc/36/93/54/1033369354.db2.gz SICZMZABJYBUHT-UHFFFAOYSA-N 1 1 314.820 3.589 20 30 DHEDMO CCOP(=O)(CCC[N@@H+]1Cc2ccc(C#N)cc2C1)OCC ZINC000877618659 1033386162 /nfs/dbraw/zinc/38/61/62/1033386162.db2.gz BRAVLORHWMBUDW-UHFFFAOYSA-N 1 1 322.345 3.530 20 30 DHEDMO CCOP(=O)(CCC[N@H+]1Cc2ccc(C#N)cc2C1)OCC ZINC000877618659 1033386174 /nfs/dbraw/zinc/38/61/74/1033386174.db2.gz BRAVLORHWMBUDW-UHFFFAOYSA-N 1 1 322.345 3.530 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000877657771 1033399757 /nfs/dbraw/zinc/39/97/57/1033399757.db2.gz IGPDWACUJYPRQB-YJBOKZPZSA-N 1 1 313.445 3.742 20 30 DHEDMO N#CCC[N@@H+](CCOc1cc(Cl)ccc1Cl)CC1CC1 ZINC000478048336 1033400110 /nfs/dbraw/zinc/40/01/10/1033400110.db2.gz VCFIKOKDLGUBRR-UHFFFAOYSA-N 1 1 313.228 3.998 20 30 DHEDMO N#CCC[N@H+](CCOc1cc(Cl)ccc1Cl)CC1CC1 ZINC000478048336 1033400116 /nfs/dbraw/zinc/40/01/16/1033400116.db2.gz VCFIKOKDLGUBRR-UHFFFAOYSA-N 1 1 313.228 3.998 20 30 DHEDMO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CCc2cccc(C#N)c2)o1 ZINC000877704116 1033419563 /nfs/dbraw/zinc/41/95/63/1033419563.db2.gz IEZQPWSUJPSBLP-UHFFFAOYSA-N 1 1 320.396 3.524 20 30 DHEDMO CCC(C#N)(CC)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000860646488 1033443960 /nfs/dbraw/zinc/44/39/60/1033443960.db2.gz HJVBRGSISNHQBX-QGZVFWFLSA-N 1 1 314.429 3.524 20 30 DHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)[nH]n1 ZINC000877783983 1033448700 /nfs/dbraw/zinc/44/87/00/1033448700.db2.gz MEFBLAZWNMHHGP-KRWDZBQOSA-N 1 1 308.429 3.784 20 30 DHEDMO CC(C)c1cc([C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)n[nH]1 ZINC000877783983 1033448705 /nfs/dbraw/zinc/44/87/05/1033448705.db2.gz MEFBLAZWNMHHGP-KRWDZBQOSA-N 1 1 308.429 3.784 20 30 DHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)n[nH]1 ZINC000877783983 1033448715 /nfs/dbraw/zinc/44/87/15/1033448715.db2.gz MEFBLAZWNMHHGP-KRWDZBQOSA-N 1 1 308.429 3.784 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001173088125 1033518677 /nfs/dbraw/zinc/51/86/77/1033518677.db2.gz PVRSIHYCLWWWRU-KBPBESRZSA-N 1 1 311.347 3.861 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@H]1C1CCC1)c1ccccc1 ZINC000878048231 1033568520 /nfs/dbraw/zinc/56/85/20/1033568520.db2.gz NUGDXTHTVFMVAD-VQTJNVASSA-N 1 1 310.441 3.692 20 30 DHEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@@H]3CC[C@H](CC)C3)C2)C1 ZINC001173276919 1033668656 /nfs/dbraw/zinc/66/86/56/1033668656.db2.gz ZHVOGMAILVGIRS-YQVWRLOYSA-N 1 1 320.477 3.676 20 30 DHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H]1CC[C@H](CC)C1)CCO2 ZINC001173282440 1033674670 /nfs/dbraw/zinc/67/46/70/1033674670.db2.gz YNHVENMXTQUTLK-WJFTUGDTSA-N 1 1 307.478 3.639 20 30 DHEDMO CC(C)C[C@H]([NH2+]C1CCC(CC#N)CC1)C(=O)OC(C)(C)C ZINC001173328248 1033689335 /nfs/dbraw/zinc/68/93/35/1033689335.db2.gz ULUDKHOYJPJVJJ-GPANFISMSA-N 1 1 308.466 3.805 20 30 DHEDMO CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173336532 1033690911 /nfs/dbraw/zinc/69/09/11/1033690911.db2.gz CPYIVGRGZUREJH-PCKAHOCUSA-N 1 1 306.450 3.513 20 30 DHEDMO N#CCC1CCC([NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001173338281 1033693634 /nfs/dbraw/zinc/69/36/34/1033693634.db2.gz CQYQMMDGTAEAKK-ODKCFSPTSA-N 1 1 323.484 3.523 20 30 DHEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCC(CC#N)CC1 ZINC001173341365 1033697473 /nfs/dbraw/zinc/69/74/73/1033697473.db2.gz URVXINVALUOMIC-UHFFFAOYSA-N 1 1 300.402 3.710 20 30 DHEDMO C=CCOC1CCC([NH+]2CCN(C3CCC(C)CC3)CC2)CC1 ZINC001173319963 1033716552 /nfs/dbraw/zinc/71/65/52/1033716552.db2.gz BUVCPRQYJVQRRO-UHFFFAOYSA-N 1 1 320.521 3.697 20 30 DHEDMO C[N@H+](Cc1cccc2ccccc21)C[C@H](O)c1ccc(C#N)cc1 ZINC000127124662 1033717566 /nfs/dbraw/zinc/71/75/66/1033717566.db2.gz GBLFVISUULWWEV-NRFANRHFSA-N 1 1 316.404 3.877 20 30 DHEDMO C=CC[C@H]1[N@H+](C[C@H]2CCC3(CCOCC3)O2)CCCC1(C)C ZINC000878515844 1033733320 /nfs/dbraw/zinc/73/33/20/1033733320.db2.gz JLPHDWKBJYCCAV-IAGOWNOFSA-N 1 1 307.478 3.781 20 30 DHEDMO C=CC[C@H]1[N@H+](C[C@@H]2CC3(CO2)CCOCC3)CCCC1(C)C ZINC000878516849 1033735467 /nfs/dbraw/zinc/73/54/67/1033735467.db2.gz WSZREMDHNMJIGW-DLBZAZTESA-N 1 1 307.478 3.639 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878533992 1033740630 /nfs/dbraw/zinc/74/06/30/1033740630.db2.gz UYOKRDMDJCPFME-IBGZPJMESA-N 1 1 315.457 3.650 20 30 DHEDMO COC(=O)[C@H](CC1CCCCC1)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173589053 1033778149 /nfs/dbraw/zinc/77/81/49/1033778149.db2.gz SEDYNVPIJYRCMI-PQUAAJSLSA-N 1 1 306.450 3.560 20 30 DHEDMO CC(C)c1noc([C@H]2CCC[N@H+](C3CCC(C)(C#N)CC3)C2)n1 ZINC001173597991 1033783127 /nfs/dbraw/zinc/78/31/27/1033783127.db2.gz LNDRHKBPLUFFCL-SYJJWHGVSA-N 1 1 316.449 3.845 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001173601046 1033788743 /nfs/dbraw/zinc/78/87/43/1033788743.db2.gz NUOPJEDAMYPLDX-IWXRYERYSA-N 1 1 312.339 3.815 20 30 DHEDMO CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1occc1C ZINC000878711220 1033807411 /nfs/dbraw/zinc/80/74/11/1033807411.db2.gz MLNWHDRBPUORDL-FQEVSTJZSA-N 1 1 324.424 3.851 20 30 DHEDMO CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1occc1C ZINC000878711220 1033807419 /nfs/dbraw/zinc/80/74/19/1033807419.db2.gz MLNWHDRBPUORDL-FQEVSTJZSA-N 1 1 324.424 3.851 20 30 DHEDMO C=C(C)C[NH+]1CCC([NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000479559527 1033815389 /nfs/dbraw/zinc/81/53/89/1033815389.db2.gz OLPYYASDFIZEAW-UHFFFAOYSA-N 1 1 311.473 3.915 20 30 DHEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CCC1 ZINC000479628798 1033838356 /nfs/dbraw/zinc/83/83/56/1033838356.db2.gz YMYHVEXWADPBJR-SJLPKXTDSA-N 1 1 312.457 3.685 20 30 DHEDMO CC[N@@H+](CCC#N)C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173789501 1033867676 /nfs/dbraw/zinc/86/76/76/1033867676.db2.gz JMBJYGAEMBMNIZ-UHFFFAOYSA-N 1 1 314.429 3.874 20 30 DHEDMO COc1cccc2c1C[N@H+](Cc1ccc(N(C)CCC#N)cc1)C2 ZINC000862529475 1033874689 /nfs/dbraw/zinc/87/46/89/1033874689.db2.gz SUEBLAWVXVTNIL-UHFFFAOYSA-N 1 1 321.424 3.561 20 30 DHEDMO COc1cccc2c1C[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C2 ZINC000862529475 1033874705 /nfs/dbraw/zinc/87/47/05/1033874705.db2.gz SUEBLAWVXVTNIL-UHFFFAOYSA-N 1 1 321.424 3.561 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000553987257 1033918587 /nfs/dbraw/zinc/91/85/87/1033918587.db2.gz MYPQGICRYLWFPY-GOEBONIOSA-N 1 1 318.486 3.720 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000553987257 1033918601 /nfs/dbraw/zinc/91/86/01/1033918601.db2.gz MYPQGICRYLWFPY-GOEBONIOSA-N 1 1 318.486 3.720 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCc3sccc3C2)c(O)c(OC)c1 ZINC000014309928 1033943627 /nfs/dbraw/zinc/94/36/27/1033943627.db2.gz HPLZVOYLIAKINH-UHFFFAOYSA-N 1 1 315.438 3.749 20 30 DHEDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000174556496 1033945067 /nfs/dbraw/zinc/94/50/67/1033945067.db2.gz FMJRAWAAJKSENU-MAUKXSAKSA-N 1 1 323.444 3.671 20 30 DHEDMO FC(F)(F)c1cc(N=NC2CCC[N@H+]3CCCC[C@H]23)ccn1 ZINC000863178749 1034014058 /nfs/dbraw/zinc/01/40/58/1034014058.db2.gz DICSYOCPPBSBJI-CYBMUJFWSA-N 1 1 312.339 3.517 20 30 DHEDMO CC[C@@H](C)[N@@H+](CCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000554287345 1034070118 /nfs/dbraw/zinc/07/01/18/1034070118.db2.gz HSBDCKRJMKNFOG-MRXNPFEDSA-N 1 1 308.425 3.818 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCCC[C@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000898512989 1034070409 /nfs/dbraw/zinc/07/04/09/1034070409.db2.gz OWUMLYNYWGBCEC-OALUTQOASA-N 1 1 324.468 3.880 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCCC[C@@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000898512988 1034071799 /nfs/dbraw/zinc/07/17/99/1034071799.db2.gz OWUMLYNYWGBCEC-MOPGFXCFSA-N 1 1 324.468 3.880 20 30 DHEDMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CC[C@@H](C(F)(F)F)O1 ZINC000880066526 1034200657 /nfs/dbraw/zinc/20/06/57/1034200657.db2.gz HUXMVTNNHZWNOS-STQMWFEESA-N 1 1 306.372 3.748 20 30 DHEDMO C[N@H+](CCOc1ccccc1)Cc1ccc(Cl)cc1C#N ZINC000480523159 1034283410 /nfs/dbraw/zinc/28/34/10/1034283410.db2.gz OERDMPWWHGKZGR-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO C[N@@H+](CCOc1ccccc1)Cc1ccc(Cl)cc1C#N ZINC000480523159 1034283417 /nfs/dbraw/zinc/28/34/17/1034283417.db2.gz OERDMPWWHGKZGR-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO COc1ccc2[nH]c3c(c2c1)CC[N@H+](CCCC(C)(C)C#N)C3 ZINC000880368713 1034309968 /nfs/dbraw/zinc/30/99/68/1034309968.db2.gz FCGFVAMDHDBCEC-UHFFFAOYSA-N 1 1 311.429 3.865 20 30 DHEDMO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](CCCC(C)(C)C#N)C3 ZINC000880368713 1034309992 /nfs/dbraw/zinc/30/99/92/1034309992.db2.gz FCGFVAMDHDBCEC-UHFFFAOYSA-N 1 1 311.429 3.865 20 30 DHEDMO CC[N@@H+](Cc1cc2c(cc1O)OCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000179464229 1034310797 /nfs/dbraw/zinc/31/07/97/1034310797.db2.gz RZETYWIMFJNAEK-CYBMUJFWSA-N 1 1 324.380 3.576 20 30 DHEDMO N#Cc1cccc(C#N)c1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174396132 1034322556 /nfs/dbraw/zinc/32/25/56/1034322556.db2.gz DGRCKZDNZPLXIC-UHFFFAOYSA-N 1 1 314.392 3.632 20 30 DHEDMO N#CCc1ccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001174397068 1034326932 /nfs/dbraw/zinc/32/69/32/1034326932.db2.gz MCNSYVWDMMGIQQ-UHFFFAOYSA-N 1 1 303.409 3.954 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cn1c2ccccc2oc1=O ZINC000794650842 1034330143 /nfs/dbraw/zinc/33/01/43/1034330143.db2.gz NOMZMALGJSESAX-UHFFFAOYSA-N 1 1 308.381 3.630 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)Cn1c2ccccc2oc1=O ZINC000794650842 1034330152 /nfs/dbraw/zinc/33/01/52/1034330152.db2.gz NOMZMALGJSESAX-UHFFFAOYSA-N 1 1 308.381 3.630 20 30 DHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000794686123 1034342167 /nfs/dbraw/zinc/34/21/67/1034342167.db2.gz QAFGRFIYCKSPSJ-KRWDZBQOSA-N 1 1 323.444 3.593 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2cc(OC)c(O)c(OC)c2)CCCC1(C)C ZINC000554867111 1034382854 /nfs/dbraw/zinc/38/28/54/1034382854.db2.gz KBTIGZMOJQIOLA-KRWDZBQOSA-N 1 1 319.445 3.976 20 30 DHEDMO Cc1csc(Nc2ccc(C[NH+]3CCOCC3)cc2)c1C#N ZINC001174443779 1034386049 /nfs/dbraw/zinc/38/60/49/1034386049.db2.gz DARLZJFBKCYKQN-UHFFFAOYSA-N 1 1 313.426 3.504 20 30 DHEDMO Cc1cc(C#N)cc(C)c1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174445901 1034389683 /nfs/dbraw/zinc/38/96/83/1034389683.db2.gz SHOORQZQTOWDHT-UHFFFAOYSA-N 1 1 321.424 3.751 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)c1=S ZINC000794703384 1034392163 /nfs/dbraw/zinc/39/21/63/1034392163.db2.gz CAMFQHAZRZDYAP-CQSZACIVSA-N 1 1 308.495 3.624 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)c1=S ZINC000794703384 1034392175 /nfs/dbraw/zinc/39/21/75/1034392175.db2.gz CAMFQHAZRZDYAP-CQSZACIVSA-N 1 1 308.495 3.624 20 30 DHEDMO C[C@H](CN1CCCCCC1)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000480695358 1034407324 /nfs/dbraw/zinc/40/73/24/1034407324.db2.gz JGVRGAMUKRVELO-HUUCEWRRSA-N 1 1 303.425 3.612 20 30 DHEDMO C=CC[N@H+](CCC(=O)NCc1ccccc1Cl)C(C)(C)C ZINC001174641498 1034524177 /nfs/dbraw/zinc/52/41/77/1034524177.db2.gz JQFZRFHIXXCDHC-UHFFFAOYSA-N 1 1 308.853 3.633 20 30 DHEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(C#N)cc1Br ZINC000481116939 1034590686 /nfs/dbraw/zinc/59/06/86/1034590686.db2.gz MXJKVPDELXQQCW-FZMZJTMJSA-N 1 1 307.235 3.941 20 30 DHEDMO C#CCC[N@H+](CCOC)Cc1cc(Cl)cc2ccccc21 ZINC001174846063 1034643620 /nfs/dbraw/zinc/64/36/20/1034643620.db2.gz SCRAOAFYKDNOGD-UHFFFAOYSA-N 1 1 301.817 3.965 20 30 DHEDMO C=CCOCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000555380803 1034667157 /nfs/dbraw/zinc/66/71/57/1034667157.db2.gz KWWLJKQHEVHQQM-CYBMUJFWSA-N 1 1 316.228 3.649 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000481228516 1034673000 /nfs/dbraw/zinc/67/30/00/1034673000.db2.gz NFWKLSGSVFGEIK-JTQLQIEISA-N 1 1 301.217 3.828 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000481228516 1034673010 /nfs/dbraw/zinc/67/30/10/1034673010.db2.gz NFWKLSGSVFGEIK-JTQLQIEISA-N 1 1 301.217 3.828 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@H](C)CC2(C)C)c1C#N ZINC000773433219 1034699032 /nfs/dbraw/zinc/69/90/32/1034699032.db2.gz UYGBDUPKJIGADL-CQSZACIVSA-N 1 1 308.429 3.673 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000187715641 1034728758 /nfs/dbraw/zinc/72/87/58/1034728758.db2.gz AWKKPWIVLFQPQN-NSHDSACASA-N 1 1 322.334 3.504 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000187715641 1034728772 /nfs/dbraw/zinc/72/87/72/1034728772.db2.gz AWKKPWIVLFQPQN-NSHDSACASA-N 1 1 322.334 3.504 20 30 DHEDMO C=CCC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000188225535 1034741040 /nfs/dbraw/zinc/74/10/40/1034741040.db2.gz UEPAPJUVKGLTAO-NEWSRXKRSA-N 1 1 314.473 3.678 20 30 DHEDMO CC(=[NH+]OC1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000777457950 1034754525 /nfs/dbraw/zinc/75/45/25/1034754525.db2.gz CXUCMSUACZRSBS-UHFFFAOYSA-N 1 1 320.408 3.736 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=NOCCC(F)(F)F ZINC000777463060 1034754701 /nfs/dbraw/zinc/75/47/01/1034754701.db2.gz YAEOFWBRSJFYAJ-CYBMUJFWSA-N 1 1 314.351 3.853 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCCC[C@@H](C)C1 ZINC000481604052 1034903035 /nfs/dbraw/zinc/90/30/35/1034903035.db2.gz KKHHPZFCVUIQRE-CVEARBPZSA-N 1 1 320.502 3.773 20 30 DHEDMO N#Cc1ccc(F)cc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175505851 1035015037 /nfs/dbraw/zinc/01/50/37/1035015037.db2.gz IVIONCCOJUUTOH-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO N#Cc1ccc(F)c(NC2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001175506111 1035017193 /nfs/dbraw/zinc/01/71/93/1035017193.db2.gz PEJURCOJKNQDHR-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO COc1cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)ccc1C#N ZINC001175506794 1035020039 /nfs/dbraw/zinc/02/00/39/1035020039.db2.gz NIJJYPCXUDSGBX-UHFFFAOYSA-N 1 1 319.408 3.769 20 30 DHEDMO Cc1[nH+]ccn1Cc1ccc(Nc2cc(F)cc(C#N)c2)cc1 ZINC001175685625 1035084730 /nfs/dbraw/zinc/08/47/30/1035084730.db2.gz ZPWOGEMUSLTNDM-UHFFFAOYSA-N 1 1 306.344 3.994 20 30 DHEDMO C=CCC(CC=C)C(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000160131518 1035139818 /nfs/dbraw/zinc/13/98/18/1035139818.db2.gz NOQTVJZVNGQGPU-GOSISDBHSA-N 1 1 310.441 3.766 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCc2ccc(Cl)cc21 ZINC000593066581 1035146228 /nfs/dbraw/zinc/14/62/28/1035146228.db2.gz NZCKAHUNZOYQON-CYBMUJFWSA-N 1 1 311.816 3.768 20 30 DHEDMO CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000482743957 1035174049 /nfs/dbraw/zinc/17/40/49/1035174049.db2.gz DXFZDSIBCBCCLU-IPMKNSEASA-N 1 1 300.446 3.555 20 30 DHEDMO CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000482743956 1035174592 /nfs/dbraw/zinc/17/45/92/1035174592.db2.gz DXFZDSIBCBCCLU-GBESFXJTSA-N 1 1 300.446 3.555 20 30 DHEDMO C#CC[N@H+](CCC1CCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001176129267 1035210974 /nfs/dbraw/zinc/21/09/74/1035210974.db2.gz CCCDDFJNBLBPNL-UHFFFAOYSA-N 1 1 320.477 3.511 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000160794040 1035239258 /nfs/dbraw/zinc/23/92/58/1035239258.db2.gz MDNKUQDWRVGMLE-SFHVURJKSA-N 1 1 302.393 3.621 20 30 DHEDMO C#CC[N@@H+](C[C@@H]1CC[C@@H](C2CC2)O1)[C@@H]1CCCc2ccccc21 ZINC001176452372 1035271902 /nfs/dbraw/zinc/27/19/02/1035271902.db2.gz KDVNRQAOVZLFMF-TYPHKJRUSA-N 1 1 309.453 3.957 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)c1ccccc1 ZINC000483598133 1035281928 /nfs/dbraw/zinc/28/19/28/1035281928.db2.gz FWXAAAXMSJOUOL-HNNXBMFYSA-N 1 1 312.388 3.907 20 30 DHEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC001176665868 1035309965 /nfs/dbraw/zinc/30/99/65/1035309965.db2.gz ZOTLFIYRMMACQE-IUODEOHRSA-N 1 1 312.866 3.727 20 30 DHEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000161309586 1035320544 /nfs/dbraw/zinc/32/05/44/1035320544.db2.gz VGSOJTQKLWCFHN-UHFFFAOYSA-N 1 1 316.420 3.869 20 30 DHEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001176771270 1035330733 /nfs/dbraw/zinc/33/07/33/1035330733.db2.gz JKAYQZUGFGZJDK-JKSUJKDBSA-N 1 1 308.466 3.674 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC001176816018 1035331700 /nfs/dbraw/zinc/33/17/00/1035331700.db2.gz ZKKKMSLHZAHFNL-XJKSGUPXSA-N 1 1 306.837 3.510 20 30 DHEDMO C=C(CC)C[N@H+]1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001177023062 1035343790 /nfs/dbraw/zinc/34/37/90/1035343790.db2.gz ZLTTTWSNSKSOSC-QFBILLFUSA-N 1 1 322.493 3.970 20 30 DHEDMO CCc1ccc2c(c1)C[N@H+](Cc1ccc(OCC#N)cc1)CC2 ZINC001177027879 1035344699 /nfs/dbraw/zinc/34/46/99/1035344699.db2.gz RXVMLTIXBHZQBX-UHFFFAOYSA-N 1 1 306.409 3.710 20 30 DHEDMO COc1ccc([C@@H](C)[N@@H+](C)CCOc2ccc(C#N)cc2)cc1 ZINC000484599417 1035372467 /nfs/dbraw/zinc/37/24/67/1035372467.db2.gz OVKPJAAVNKRWTK-OAHLLOKOSA-N 1 1 310.397 3.639 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(C(C)(C)c2ccccc2OC)no1 ZINC000904702079 1035445789 /nfs/dbraw/zinc/44/57/89/1035445789.db2.gz VJGVHEIMMMVXCZ-AWEZNQCLSA-N 1 1 315.417 3.760 20 30 DHEDMO CCCCCCC[C@H](C)NC(=O)N1CCC([N@@H+](C)CC)CC1 ZINC001192938060 1035520459 /nfs/dbraw/zinc/52/04/59/1035520459.db2.gz NXHSNYHJSDFEOP-INIZCTEOSA-N 1 1 311.514 3.861 20 30 DHEDMO C#C[C@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)cs1)[C@@H]1CCCO1 ZINC000775573647 1035560869 /nfs/dbraw/zinc/56/08/69/1035560869.db2.gz ILJNITNRIXWHPZ-QRTARXTBSA-N 1 1 312.438 3.642 20 30 DHEDMO C#C[C@H]([NH2+][C@H](C)c1nc(-c2ccccc2)cs1)[C@@H]1CCCO1 ZINC000775573646 1035562483 /nfs/dbraw/zinc/56/24/83/1035562483.db2.gz ILJNITNRIXWHPZ-KMFMINBZSA-N 1 1 312.438 3.642 20 30 DHEDMO C=CCCn1cc(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](CC)C2)nn1 ZINC001179962541 1035562739 /nfs/dbraw/zinc/56/27/39/1035562739.db2.gz PLTXWFFPYGCDLY-FXAWDEMLSA-N 1 1 324.472 3.870 20 30 DHEDMO COc1ccc(C[C@H]2CC[N@@H+]2Cc2cccc(F)c2C#N)cc1 ZINC001180117419 1035602054 /nfs/dbraw/zinc/60/20/54/1035602054.db2.gz WQHBZLWLWWZJFU-MRXNPFEDSA-N 1 1 310.372 3.523 20 30 DHEDMO COc1ccc(C[C@H]2CC[N@H+]2Cc2cccc(F)c2C#N)cc1 ZINC001180117419 1035602062 /nfs/dbraw/zinc/60/20/62/1035602062.db2.gz WQHBZLWLWWZJFU-MRXNPFEDSA-N 1 1 310.372 3.523 20 30 DHEDMO C=C[C@](C)(CC)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000190659388 1035628356 /nfs/dbraw/zinc/62/83/56/1035628356.db2.gz FOOZDUBGUPRFMO-LJQANCHMSA-N 1 1 302.462 3.745 20 30 DHEDMO C#CC[N@H+](Cc1ccc(C#N)c(C)c1)[C@H]1CCc2ccccc21 ZINC001180296264 1035646913 /nfs/dbraw/zinc/64/69/13/1035646913.db2.gz FPOWIIRGKKZAST-NRFANRHFSA-N 1 1 300.405 3.989 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1c(OC)cccc1OC ZINC001180332844 1035659043 /nfs/dbraw/zinc/65/90/43/1035659043.db2.gz VNNOXXOUZRGHTG-UHFFFAOYSA-N 1 1 301.386 3.528 20 30 DHEDMO CC(C)[N@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccc(C#N)cc1 ZINC000442799780 1035678633 /nfs/dbraw/zinc/67/86/33/1035678633.db2.gz LDNCCHLEUIDSIG-UHFFFAOYSA-N 1 1 322.334 3.711 20 30 DHEDMO CC(C)[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccc(C#N)cc1 ZINC000442799780 1035678648 /nfs/dbraw/zinc/67/86/48/1035678648.db2.gz LDNCCHLEUIDSIG-UHFFFAOYSA-N 1 1 322.334 3.711 20 30 DHEDMO CCS[C@H]1CCCC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000442888157 1035693421 /nfs/dbraw/zinc/69/34/21/1035693421.db2.gz FGUKNVAPIDGHFZ-INIZCTEOSA-N 1 1 304.459 3.674 20 30 DHEDMO C[N@@H+](CC(=O)Nc1sc2ccccc2c1C#N)C1CCCC1 ZINC001180624822 1035721918 /nfs/dbraw/zinc/72/19/18/1035721918.db2.gz JGHQAULOSATDNQ-UHFFFAOYSA-N 1 1 313.426 3.586 20 30 DHEDMO N#CC1(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCCC2)CC1 ZINC000539449660 1035734905 /nfs/dbraw/zinc/73/49/05/1035734905.db2.gz WLDYPNVFOWKLRT-UHFFFAOYSA-N 1 1 312.413 3.854 20 30 DHEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000494646815 1035758545 /nfs/dbraw/zinc/75/85/45/1035758545.db2.gz GPQOCELCRMZJCT-CYBMUJFWSA-N 1 1 315.442 3.563 20 30 DHEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000494646815 1035758559 /nfs/dbraw/zinc/75/85/59/1035758559.db2.gz GPQOCELCRMZJCT-CYBMUJFWSA-N 1 1 315.442 3.563 20 30 DHEDMO C[C@H]([NH2+]CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000539498742 1035759636 /nfs/dbraw/zinc/75/96/36/1035759636.db2.gz WCSDZSQNMCJLNQ-ZACQAIPSSA-N 1 1 313.489 3.965 20 30 DHEDMO CC(C)(C)c1c[nH+]c2ccc(-c3ccc(C#N)cc3CO)cn21 ZINC000906172661 1035799703 /nfs/dbraw/zinc/79/97/03/1035799703.db2.gz RYDNWFTVDJVXQB-UHFFFAOYSA-N 1 1 305.381 3.663 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)CCc2cccs2)cc1OC ZINC000539852208 1035912205 /nfs/dbraw/zinc/91/22/05/1035912205.db2.gz QNZGFOPYNBYHHM-UHFFFAOYSA-N 1 1 317.454 3.996 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc4[nH]cnc4c3)CC2)cc1 ZINC000539923707 1035935448 /nfs/dbraw/zinc/93/54/48/1035935448.db2.gz GHNVRZGDTWYEHH-UHFFFAOYSA-N 1 1 314.392 3.724 20 30 DHEDMO N#Cc1ccc(C2=CC[N@H+](Cc3ccc4nc[nH]c4c3)CC2)cc1 ZINC000539923707 1035935459 /nfs/dbraw/zinc/93/54/59/1035935459.db2.gz GHNVRZGDTWYEHH-UHFFFAOYSA-N 1 1 314.392 3.724 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc4nc[nH]c4c3)CC2)cc1 ZINC000539923707 1035935472 /nfs/dbraw/zinc/93/54/72/1035935472.db2.gz GHNVRZGDTWYEHH-UHFFFAOYSA-N 1 1 314.392 3.724 20 30 DHEDMO C=CCC[C@H]([NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1)C(=O)OCC ZINC001181826729 1036007623 /nfs/dbraw/zinc/00/76/23/1036007623.db2.gz GRHDCJQLVMFQGB-RKVPGOIHSA-N 1 1 319.445 3.675 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC001181879458 1036030817 /nfs/dbraw/zinc/03/08/17/1036030817.db2.gz HYOLGVMGVXJVFG-KRWDZBQOSA-N 1 1 321.848 3.599 20 30 DHEDMO C=CCCC[C@H](C)[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000540297931 1036032612 /nfs/dbraw/zinc/03/26/12/1036032612.db2.gz SVBCVYKANLPKOQ-WMLDXEAASA-N 1 1 304.409 3.608 20 30 DHEDMO Cc1cc(N(C)C[C@H](C)C#N)c2cc(OC(F)F)ccc2[nH+]1 ZINC000540288314 1036035423 /nfs/dbraw/zinc/03/54/23/1036035423.db2.gz NKXDKSHGKBXBQZ-SNVBAGLBSA-N 1 1 305.328 3.741 20 30 DHEDMO CC[C@H](c1ccccc1OC)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001194807753 1036039664 /nfs/dbraw/zinc/03/96/64/1036039664.db2.gz UBPHPCQDUSNKMQ-RTBURBONSA-N 1 1 324.424 3.683 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC001182185173 1036117962 /nfs/dbraw/zinc/11/79/62/1036117962.db2.gz ZHWOJSGIWRKPAJ-OAHLLOKOSA-N 1 1 303.833 3.974 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC001182185172 1036118663 /nfs/dbraw/zinc/11/86/63/1036118663.db2.gz ZHWOJSGIWRKPAJ-HNNXBMFYSA-N 1 1 303.833 3.974 20 30 DHEDMO CCCC[N@@H+](CC)[C@H](C(=O)NCCCCC#N)c1ccccc1 ZINC001182237057 1036140261 /nfs/dbraw/zinc/14/02/61/1036140261.db2.gz VNTFEWWPRJYJFZ-SFHVURJKSA-N 1 1 315.461 3.660 20 30 DHEDMO C=CCCCNC(=O)[C@H](c1ccccc1)[N@H+](CC)CCCC ZINC001182237761 1036154079 /nfs/dbraw/zinc/15/40/79/1036154079.db2.gz RUEUAYXDUKDMQD-SFHVURJKSA-N 1 1 302.462 3.932 20 30 DHEDMO C=CCC[C@H](C(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000495010571 1036183368 /nfs/dbraw/zinc/18/33/68/1036183368.db2.gz XRXGCQSQXUEMRC-HKUYNNGSSA-N 1 1 314.473 3.585 20 30 DHEDMO C[C@@H](C[N@H+](CCc1ccc(C#N)cc1)[C@@H](C)CO)c1ccccc1 ZINC000595497009 1036203513 /nfs/dbraw/zinc/20/35/13/1036203513.db2.gz LAIXVKVJWBJAGL-ROUUACIJSA-N 1 1 322.452 3.587 20 30 DHEDMO COC(=O)[C@@H]1CCCC[C@H]1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC001195366648 1036231642 /nfs/dbraw/zinc/23/16/42/1036231642.db2.gz BYPBEYCIQOTTSZ-FHLIZLRMSA-N 1 1 314.429 3.530 20 30 DHEDMO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000775652082 1036239265 /nfs/dbraw/zinc/23/92/65/1036239265.db2.gz FDGWKMFYFUSHEV-UHFFFAOYSA-N 1 1 308.466 3.676 20 30 DHEDMO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000775661710 1036278578 /nfs/dbraw/zinc/27/85/78/1036278578.db2.gz DDUMUZKFPUIBIN-JYJNAYRXSA-N 1 1 308.466 3.578 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1c(Cl)ccnc1F ZINC001182435817 1036297630 /nfs/dbraw/zinc/29/76/30/1036297630.db2.gz WRJJLOUKZYDCAY-MRXNPFEDSA-N 1 1 315.779 3.913 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn2cccc(F)c2n1 ZINC001182500521 1036365884 /nfs/dbraw/zinc/36/58/84/1036365884.db2.gz VMUCMRIOGDSFLB-ZDUSSCGKSA-N 1 1 308.360 3.538 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn2cccc(F)c2n1 ZINC001182500521 1036365898 /nfs/dbraw/zinc/36/58/98/1036365898.db2.gz VMUCMRIOGDSFLB-ZDUSSCGKSA-N 1 1 308.360 3.538 20 30 DHEDMO CCCCC[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000486794663 1036412029 /nfs/dbraw/zinc/41/20/29/1036412029.db2.gz DVKUZDNMVCIZTP-OAHLLOKOSA-N 1 1 319.474 3.993 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(OC(F)(F)F)c1)[C@H](C)COC ZINC001196048703 1036431128 /nfs/dbraw/zinc/43/11/28/1036431128.db2.gz YRBVOUXJQXSHMF-GFCCVEGCSA-N 1 1 303.324 3.608 20 30 DHEDMO C=CC[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C ZINC001196198454 1036471288 /nfs/dbraw/zinc/47/12/88/1036471288.db2.gz LYPUURQEAUYCTH-GOSISDBHSA-N 1 1 314.473 3.857 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C)C[C@@H](C)C2)c(C#N)c1C ZINC000443660501 1036489527 /nfs/dbraw/zinc/48/95/27/1036489527.db2.gz SBIQIKOVTQRAID-NWDGAFQWSA-N 1 1 319.474 3.543 20 30 DHEDMO C#CC[N@@H+](Cc1cccc(C#N)c1F)[C@H]1CCc2ccccc21 ZINC000774568190 1036507031 /nfs/dbraw/zinc/50/70/31/1036507031.db2.gz XNWDLUWVBWJLOX-IBGZPJMESA-N 1 1 304.368 3.820 20 30 DHEDMO C#CC[N@H+](Cc1cccc(C#N)c1F)[C@H]1CCc2ccccc21 ZINC000774568190 1036507039 /nfs/dbraw/zinc/50/70/39/1036507039.db2.gz XNWDLUWVBWJLOX-IBGZPJMESA-N 1 1 304.368 3.820 20 30 DHEDMO C#CCC[N@H+](CCOC)Cc1cccc(SC(F)(F)F)c1 ZINC001196393672 1036520264 /nfs/dbraw/zinc/52/02/64/1036520264.db2.gz PTNRWLDHGBRMCW-UHFFFAOYSA-N 1 1 317.376 3.770 20 30 DHEDMO C[C@@H](NCc1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272236930 1036530647 /nfs/dbraw/zinc/53/06/47/1036530647.db2.gz VRRAOXBYALIKFR-UTKZUKDTSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@@H](NCc1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272236930 1036530656 /nfs/dbraw/zinc/53/06/56/1036530656.db2.gz VRRAOXBYALIKFR-UTKZUKDTSA-N 1 1 319.452 3.558 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](C[C@H]1C[C@H]1c1ccccc1)C2 ZINC001183179791 1036533665 /nfs/dbraw/zinc/53/36/65/1036533665.db2.gz IKDNQMWPFBPFNG-CTNGQTDRSA-N 1 1 302.421 3.914 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000774603415 1036547337 /nfs/dbraw/zinc/54/73/37/1036547337.db2.gz SDFAEDSNYNQWOY-JKSUJKDBSA-N 1 1 310.482 3.920 20 30 DHEDMO C=CCc1cc(C[N@H+]2CC3(CCC3)C[C@@H]2C)c(O)c(OC)c1 ZINC000762139556 1036553902 /nfs/dbraw/zinc/55/39/02/1036553902.db2.gz AUMXHVCJASQCBO-AWEZNQCLSA-N 1 1 301.430 3.894 20 30 DHEDMO C=CC[N@@H+](CCCOc1cccc(C#N)c1)CCc1ccco1 ZINC000491367208 1036555626 /nfs/dbraw/zinc/55/56/26/1036555626.db2.gz LPKFCUXJKAFEMT-UHFFFAOYSA-N 1 1 310.397 3.651 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2nc(-c3ccncc3)cs2)cc1F ZINC001183685805 1036648233 /nfs/dbraw/zinc/64/82/33/1036648233.db2.gz MAVILYVZSYPPMR-UHFFFAOYSA-N 1 1 324.384 3.506 20 30 DHEDMO COC[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccc(C)o1 ZINC000271918032 1036682699 /nfs/dbraw/zinc/68/26/99/1036682699.db2.gz CYNDXPRLGAMMQO-MLGOLLRUSA-N 1 1 302.349 3.637 20 30 DHEDMO C=CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001184407629 1036836095 /nfs/dbraw/zinc/83/60/95/1036836095.db2.gz SZIGRBAMCNTWMW-INIZCTEOSA-N 1 1 320.864 3.634 20 30 DHEDMO C=CCCCCC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000488107956 1036851358 /nfs/dbraw/zinc/85/13/58/1036851358.db2.gz ZYJSZNWCAARBRI-SFHVURJKSA-N 1 1 301.430 3.707 20 30 DHEDMO C=CCCCCC[N@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000488107956 1036851385 /nfs/dbraw/zinc/85/13/85/1036851385.db2.gz ZYJSZNWCAARBRI-SFHVURJKSA-N 1 1 301.430 3.707 20 30 DHEDMO CC(C)[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000492532562 1036907762 /nfs/dbraw/zinc/90/77/62/1036907762.db2.gz HOAXYWYFDBAPRZ-OAHLLOKOSA-N 1 1 307.235 3.941 20 30 DHEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000488226622 1036910170 /nfs/dbraw/zinc/91/01/70/1036910170.db2.gz VVKKIUZWNGECDL-QGZVFWFLSA-N 1 1 319.424 3.768 20 30 DHEDMO Cc1cc(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1C#N ZINC000488275944 1036943840 /nfs/dbraw/zinc/94/38/40/1036943840.db2.gz CFGYTWCTMMQECB-APWZRJJASA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1cc(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1C#N ZINC000488275944 1036943851 /nfs/dbraw/zinc/94/38/51/1036943851.db2.gz CFGYTWCTMMQECB-APWZRJJASA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1cc(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1C#N ZINC000488275946 1036944050 /nfs/dbraw/zinc/94/40/50/1036944050.db2.gz CFGYTWCTMMQECB-QFBILLFUSA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1cc(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1C#N ZINC000488275946 1036944065 /nfs/dbraw/zinc/94/40/65/1036944065.db2.gz CFGYTWCTMMQECB-QFBILLFUSA-N 1 1 311.473 3.609 20 30 DHEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCc1ccc(C#N)cc1 ZINC001198174738 1036967456 /nfs/dbraw/zinc/96/74/56/1036967456.db2.gz WVSBCEFDZQVNFT-CBGDNZLLSA-N 1 1 320.436 3.951 20 30 DHEDMO CC[C@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492699182 1036970366 /nfs/dbraw/zinc/97/03/66/1036970366.db2.gz VVHVITDYLDZRBL-OAHLLOKOSA-N 1 1 307.235 3.943 20 30 DHEDMO Cc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)ccc1C#N ZINC000488413766 1037011992 /nfs/dbraw/zinc/01/19/92/1037011992.db2.gz ZRDGNVBWIJNJML-UZLBHIALSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)ccc1C#N ZINC000488413766 1037012006 /nfs/dbraw/zinc/01/20/06/1037012006.db2.gz ZRDGNVBWIJNJML-UZLBHIALSA-N 1 1 306.409 3.829 20 30 DHEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1nc(-c2ccccc2F)no1 ZINC001198406097 1037014543 /nfs/dbraw/zinc/01/45/43/1037014543.db2.gz GGSLIBAXNNSLBR-ZDUSSCGKSA-N 1 1 301.365 3.806 20 30 DHEDMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC001198457628 1037023565 /nfs/dbraw/zinc/02/35/65/1037023565.db2.gz FMYHTPATTUAFGJ-KRWDZBQOSA-N 1 1 313.445 3.610 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC001198490306 1037036413 /nfs/dbraw/zinc/03/64/13/1037036413.db2.gz JFQHPAWTFPKECT-BRWVUGGUSA-N 1 1 322.493 3.968 20 30 DHEDMO C[C@H]1CN(c2c(Cl)cccc2C#N)CC[N@H+](C2CCC2)C1 ZINC000488749762 1037129352 /nfs/dbraw/zinc/12/93/52/1037129352.db2.gz JOSQRQULNTVKEC-CYBMUJFWSA-N 1 1 303.837 3.522 20 30 DHEDMO C=CCn1cccc1C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000488788424 1037143643 /nfs/dbraw/zinc/14/36/43/1037143643.db2.gz YIBUECIXEGQNGM-UHFFFAOYSA-N 1 1 323.440 3.563 20 30 DHEDMO N#CCCCCCC(=O)Nc1c[nH+]ccc1Nc1ccccc1 ZINC000911739194 1037190851 /nfs/dbraw/zinc/19/08/51/1037190851.db2.gz MRNXNHAOPKDBFH-UHFFFAOYSA-N 1 1 308.385 3.660 20 30 DHEDMO Cc1cc(Br)cc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000774911163 1037210327 /nfs/dbraw/zinc/21/03/27/1037210327.db2.gz VZJBBWNBUAFIJC-GFCCVEGCSA-N 1 1 307.235 3.882 20 30 DHEDMO Cc1cc(Br)cc(C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000774911163 1037210340 /nfs/dbraw/zinc/21/03/40/1037210340.db2.gz VZJBBWNBUAFIJC-GFCCVEGCSA-N 1 1 307.235 3.882 20 30 DHEDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000493159378 1037232919 /nfs/dbraw/zinc/23/29/19/1037232919.db2.gz USADHTKDVUXHOR-OAHLLOKOSA-N 1 1 323.481 3.553 20 30 DHEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000122743625 1037235916 /nfs/dbraw/zinc/23/59/16/1037235916.db2.gz UMVJVLAJPPIYSI-HNNXBMFYSA-N 1 1 312.438 3.835 20 30 DHEDMO CCCCCCCC(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000104983431 1037249527 /nfs/dbraw/zinc/24/95/27/1037249527.db2.gz XMPRHUQOIOKIJY-UHFFFAOYSA-N 1 1 309.479 3.820 20 30 DHEDMO CCCCCCCC(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000104983431 1037249541 /nfs/dbraw/zinc/24/95/41/1037249541.db2.gz XMPRHUQOIOKIJY-UHFFFAOYSA-N 1 1 309.479 3.820 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000489393436 1037401877 /nfs/dbraw/zinc/40/18/77/1037401877.db2.gz BICJYDDKZFEFHZ-HNNXBMFYSA-N 1 1 303.356 3.691 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000489393436 1037401901 /nfs/dbraw/zinc/40/19/01/1037401901.db2.gz BICJYDDKZFEFHZ-HNNXBMFYSA-N 1 1 303.356 3.691 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(C(=O)OC)c(F)c1 ZINC000089101120 1037492988 /nfs/dbraw/zinc/49/29/88/1037492988.db2.gz ROTZVGNDEAEYKC-UHFFFAOYSA-N 1 1 319.401 3.862 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(C(=O)OC)c(F)c1 ZINC000089101120 1037493001 /nfs/dbraw/zinc/49/30/01/1037493001.db2.gz ROTZVGNDEAEYKC-UHFFFAOYSA-N 1 1 319.401 3.862 20 30 DHEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCCc2ccccc21 ZINC000763224437 1037519378 /nfs/dbraw/zinc/51/93/78/1037519378.db2.gz ABPPYWBILMAKLJ-VQTJNVASSA-N 1 1 306.409 3.601 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000150891706 1037523873 /nfs/dbraw/zinc/52/38/73/1037523873.db2.gz ZNYNLMTWWCDZKH-HNNXBMFYSA-N 1 1 304.434 3.700 20 30 DHEDMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@H+]1CCCC#N ZINC000493975632 1037604406 /nfs/dbraw/zinc/60/44/06/1037604406.db2.gz UPKXTRMYBBWXDS-CVEARBPZSA-N 1 1 321.465 3.544 20 30 DHEDMO c1cc2c(ccnc2N=NC2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000915980569 1037628129 /nfs/dbraw/zinc/62/81/29/1037628129.db2.gz UPFBWLBURRJDLE-UHFFFAOYSA-N 1 1 322.437 3.970 20 30 DHEDMO Cc1ccc2nc(C[NH2+][C@H](C)c3ccc(OCC#N)cc3)[nH]c2c1 ZINC000776162320 1037629413 /nfs/dbraw/zinc/62/94/13/1037629413.db2.gz FGOWDIJRBKABLT-CQSZACIVSA-N 1 1 320.396 3.625 20 30 DHEDMO C=C(Br)C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000776173962 1037679660 /nfs/dbraw/zinc/67/96/60/1037679660.db2.gz RJRYQCXJKDFNEN-UHFFFAOYSA-N 1 1 309.251 3.675 20 30 DHEDMO CC[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000490339440 1037682383 /nfs/dbraw/zinc/68/23/83/1037682383.db2.gz IZAGVNIZGMOVDR-MRXNPFEDSA-N 1 1 322.456 3.971 20 30 DHEDMO C#Cc1cccnc1N=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201470066 1037690188 /nfs/dbraw/zinc/69/01/88/1037690188.db2.gz KYMSISJQOXBRED-UXHICEINSA-N 1 1 315.420 3.796 20 30 DHEDMO C#Cc1cccnc1NC1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201470066 1037690195 /nfs/dbraw/zinc/69/01/95/1037690195.db2.gz KYMSISJQOXBRED-UXHICEINSA-N 1 1 315.420 3.796 20 30 DHEDMO C#Cc1cccnc1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201470066 1037690201 /nfs/dbraw/zinc/69/02/01/1037690201.db2.gz KYMSISJQOXBRED-UXHICEINSA-N 1 1 315.420 3.796 20 30 DHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000916152398 1037702949 /nfs/dbraw/zinc/70/29/49/1037702949.db2.gz QIQLHABNDKVERN-LSDHHAIUSA-N 1 1 319.408 3.505 20 30 DHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000916152398 1037702966 /nfs/dbraw/zinc/70/29/66/1037702966.db2.gz QIQLHABNDKVERN-LSDHHAIUSA-N 1 1 319.408 3.505 20 30 DHEDMO CCCCCCCCCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000916193967 1037709536 /nfs/dbraw/zinc/70/95/36/1037709536.db2.gz CAZVJOBHLVUVCK-DLBZAZTESA-N 1 1 309.498 3.663 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC000490434073 1037715131 /nfs/dbraw/zinc/71/51/31/1037715131.db2.gz FBSFJTUZNWIWQQ-ZDUSSCGKSA-N 1 1 307.353 3.999 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(-c2ccco2)on1 ZINC000490434073 1037715149 /nfs/dbraw/zinc/71/51/49/1037715149.db2.gz FBSFJTUZNWIWQQ-ZDUSSCGKSA-N 1 1 307.353 3.999 20 30 DHEDMO Cc1cc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)ccc1C#N ZINC000488101192 1037715411 /nfs/dbraw/zinc/71/54/11/1037715411.db2.gz HRIIPNZQPADQIR-NRFANRHFSA-N 1 1 318.420 3.541 20 30 DHEDMO C=CCOC(=O)N1CCC2(CCC[N@H+](C[C@H](C)CCC)C2)CC1 ZINC001201538342 1037743255 /nfs/dbraw/zinc/74/32/55/1037743255.db2.gz FQOWNBBKNQQBHZ-QGZVFWFLSA-N 1 1 322.493 3.923 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@H+](C[C@H](CC)CCCC)C2)C1=O ZINC001201559645 1037778317 /nfs/dbraw/zinc/77/83/17/1037778317.db2.gz MMDVCUYFVJIAJX-MJGOQNOKSA-N 1 1 306.494 3.703 20 30 DHEDMO CCCCCCCCCCC[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001201630928 1037800012 /nfs/dbraw/zinc/80/00/12/1037800012.db2.gz IEEOYAANSSFVJC-INIZCTEOSA-N 1 1 303.512 3.636 20 30 DHEDMO CC[N@H+](Cc1ccc(Cl)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763396828 1037816760 /nfs/dbraw/zinc/81/67/60/1037816760.db2.gz HXKKMWDQYDLVMV-GOSISDBHSA-N 1 1 314.816 3.767 20 30 DHEDMO CCC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCc2ccccc21 ZINC000763407976 1037826130 /nfs/dbraw/zinc/82/61/30/1037826130.db2.gz NFPZDGPUIKDCPE-LEWJYISDSA-N 1 1 320.436 3.991 20 30 DHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000763411767 1037828339 /nfs/dbraw/zinc/82/83/39/1037828339.db2.gz VCRQMBIRQUQZQW-SFTDATJTSA-N 1 1 322.452 3.853 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000185750243 1037834147 /nfs/dbraw/zinc/83/41/47/1037834147.db2.gz MNZKCCYMQPDVGQ-SJORKVTESA-N 1 1 302.462 3.616 20 30 DHEDMO C=C[C@H](CC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000123821472 1037869943 /nfs/dbraw/zinc/86/99/43/1037869943.db2.gz IRTWTANPFPFOEF-QZTJIDSGSA-N 1 1 314.473 3.727 20 30 DHEDMO CCCCCCC[N@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001201762690 1037883692 /nfs/dbraw/zinc/88/36/92/1037883692.db2.gz QYFBRAGDBBACCL-FHWLQOOXSA-N 1 1 318.461 3.663 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2c(cnn2CC)[C@@H](COCC)C1 ZINC001201762364 1037885437 /nfs/dbraw/zinc/88/54/37/1037885437.db2.gz HMUPANYQETYWTL-MRXNPFEDSA-N 1 1 307.482 3.809 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1 ZINC001201762523 1037885973 /nfs/dbraw/zinc/88/59/73/1037885973.db2.gz NUBNFYQGCFXCCT-UYAOXDASSA-N 1 1 314.473 3.563 20 30 DHEDMO CCCCCCC[N@H+]1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC001201762177 1037886109 /nfs/dbraw/zinc/88/61/09/1037886109.db2.gz AOIKHSZTQIGPFZ-GBESFXJTSA-N 1 1 318.461 3.663 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001201762671 1037886385 /nfs/dbraw/zinc/88/63/85/1037886385.db2.gz QRJDUDWNSNGUHP-SFHVURJKSA-N 1 1 319.493 3.712 20 30 DHEDMO Cc1c2c(nc(SCC[C@H]3CCCC[N@@H+]3C)c1C#N)CCC2 ZINC001188400697 1037898167 /nfs/dbraw/zinc/89/81/67/1037898167.db2.gz OMYQMTXNVWECJZ-CQSZACIVSA-N 1 1 315.486 3.717 20 30 DHEDMO CCCCCCCC[N@@H+]1Cc2cnn(CC)c2[C@H](COC)C1 ZINC001201814826 1037901208 /nfs/dbraw/zinc/90/12/08/1037901208.db2.gz SOGZSOHBYODQCY-KRWDZBQOSA-N 1 1 307.482 3.809 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@]2(C[C@H](Oc3ccccn3)CO2)C1 ZINC001201776923 1037904450 /nfs/dbraw/zinc/90/44/50/1037904450.db2.gz PFKUQHHRHNNJKO-HKUYNNGSSA-N 1 1 318.461 3.664 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C#N)cc1C ZINC000586779779 1037963244 /nfs/dbraw/zinc/96/32/44/1037963244.db2.gz MWYVXCVACYLOPO-UHFFFAOYSA-N 1 1 310.397 3.530 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C#N)cc1C ZINC000586779779 1037963252 /nfs/dbraw/zinc/96/32/52/1037963252.db2.gz MWYVXCVACYLOPO-UHFFFAOYSA-N 1 1 310.397 3.530 20 30 DHEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000156393946 1038073953 /nfs/dbraw/zinc/07/39/53/1038073953.db2.gz RBISDKVWTCUTBC-LEWJYISDSA-N 1 1 320.436 3.645 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@@H](CC)c1ccc(Cl)cc1)C(C)C ZINC000917068846 1038166850 /nfs/dbraw/zinc/16/68/50/1038166850.db2.gz DTMREVUYWMMRJL-INIZCTEOSA-N 1 1 308.853 3.804 20 30 DHEDMO C=CC[N@@H+](C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C(C)C ZINC000917069079 1038167424 /nfs/dbraw/zinc/16/74/24/1038167424.db2.gz GILKDUUHLHJUPV-YOEHRIQHSA-N 1 1 311.853 3.675 20 30 DHEDMO C[N@@H+]1CC[C@H](NCC#Cc2cccc(Cl)c2)[C@H]1c1ccccc1 ZINC000571690630 1038179906 /nfs/dbraw/zinc/17/99/06/1038179906.db2.gz JRBJLRQTVJBLAQ-VQTJNVASSA-N 1 1 324.855 3.727 20 30 DHEDMO C[N@H+]1CC[C@H](NCC#Cc2cccc(Cl)c2)[C@H]1c1ccccc1 ZINC000571690630 1038179914 /nfs/dbraw/zinc/17/99/14/1038179914.db2.gz JRBJLRQTVJBLAQ-VQTJNVASSA-N 1 1 324.855 3.727 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 ZINC000164445156 1038188468 /nfs/dbraw/zinc/18/84/68/1038188468.db2.gz GBNDCCWOJVXYHQ-IBGZPJMESA-N 1 1 319.408 3.506 20 30 DHEDMO C=CCCC(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000588028599 1038219799 /nfs/dbraw/zinc/21/97/99/1038219799.db2.gz AIANTIYGPZSSBV-GOSISDBHSA-N 1 1 314.473 3.542 20 30 DHEDMO N#CCCCCCC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000588157402 1038239087 /nfs/dbraw/zinc/23/90/87/1038239087.db2.gz NFABBOLUYKEWKF-SFHVURJKSA-N 1 1 319.493 3.621 20 30 DHEDMO CC(C)(C)[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000156719877 1038253762 /nfs/dbraw/zinc/25/37/62/1038253762.db2.gz ONRDFDCLXOEVOZ-LJQANCHMSA-N 1 1 308.425 3.892 20 30 DHEDMO C=CCOCC[N@@H+](Cc1ccc(Br)cc1)C(C)C ZINC001190509295 1038330731 /nfs/dbraw/zinc/33/07/31/1038330731.db2.gz BHYZEDVYBGMWSJ-UHFFFAOYSA-N 1 1 312.251 3.862 20 30 DHEDMO N#Cc1ccccc1-c1ccc(CN2CC[NH+](C3CC3)CC2)cc1 ZINC000572389339 1038363566 /nfs/dbraw/zinc/36/35/66/1038363566.db2.gz MBDGTWIAADQTHS-UHFFFAOYSA-N 1 1 317.436 3.505 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)C[C@@H]1COC2(CCCCC2)O1 ZINC001190708117 1038367098 /nfs/dbraw/zinc/36/70/98/1038367098.db2.gz QLQRRJOBXWALRL-LJQANCHMSA-N 1 1 315.457 3.793 20 30 DHEDMO C[N@H+](C/C=C\c1ccccc1)CCOCc1ccc(C#N)cc1 ZINC000588978999 1038414827 /nfs/dbraw/zinc/41/48/27/1038414827.db2.gz MCGWEQHIIDHWCY-YVMONPNESA-N 1 1 306.409 3.720 20 30 DHEDMO CCCCCCCCNC(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001191077288 1038432989 /nfs/dbraw/zinc/43/29/89/1038432989.db2.gz VAGUFCNCKLAPPW-OSYLJGHBSA-N 1 1 309.498 3.661 20 30 DHEDMO CCC(CC)[N@@H+](CCC(=O)Nc1sccc1C#N)C1CC1 ZINC000165316728 1038470348 /nfs/dbraw/zinc/47/03/48/1038470348.db2.gz OIEQZHFILNCMRA-UHFFFAOYSA-N 1 1 305.447 3.601 20 30 DHEDMO COc1cccc(C=C2CC[NH+](Cc3ccc(C#N)cn3)CC2)c1 ZINC000572538781 1038477083 /nfs/dbraw/zinc/47/70/83/1038477083.db2.gz GMYWWZKDSCEVGE-UHFFFAOYSA-N 1 1 319.408 3.641 20 30 DHEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCCO1 ZINC000590211157 1038606768 /nfs/dbraw/zinc/60/67/68/1038606768.db2.gz MPEOFMBAVDSRSD-SFHVURJKSA-N 1 1 300.446 3.735 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c(C(F)(F)F)c1 ZINC001192392367 1038651077 /nfs/dbraw/zinc/65/10/77/1038651077.db2.gz XZCKUJLFVAQADZ-WCQYABFASA-N 1 1 316.273 3.664 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c(C(F)(F)F)c1 ZINC001192392367 1038651081 /nfs/dbraw/zinc/65/10/81/1038651081.db2.gz XZCKUJLFVAQADZ-WCQYABFASA-N 1 1 316.273 3.664 20 30 DHEDMO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cc(C#N)ccn1 ZINC001192584362 1038680719 /nfs/dbraw/zinc/68/07/19/1038680719.db2.gz HJMDUNVWTWZMDK-SFHVURJKSA-N 1 1 309.413 3.839 20 30 DHEDMO C#CCCCCCC[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC001192823008 1038703449 /nfs/dbraw/zinc/70/34/49/1038703449.db2.gz BWNLDRFIBCEPMH-IAGOWNOFSA-N 1 1 322.493 3.900 20 30 DHEDMO C#CCCCCCC[N@@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001192823009 1038704569 /nfs/dbraw/zinc/70/45/69/1038704569.db2.gz BWNLDRFIBCEPMH-IRXDYDNUSA-N 1 1 322.493 3.900 20 30 DHEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000591022850 1038750078 /nfs/dbraw/zinc/75/00/78/1038750078.db2.gz IMUPYUZWJLEYRL-MRXNPFEDSA-N 1 1 320.477 3.762 20 30 DHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000591471336 1038881712 /nfs/dbraw/zinc/88/17/12/1038881712.db2.gz AKFBWIFEIIHLJX-IEBWSBKVSA-N 1 1 317.473 3.665 20 30 DHEDMO CCCCCCC[N@@H+](CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000157319529 1038889586 /nfs/dbraw/zinc/88/95/86/1038889586.db2.gz IZWDNCIPQLEESF-UHFFFAOYSA-N 1 1 301.434 3.715 20 30 DHEDMO C[C@H](N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC000591571024 1038936798 /nfs/dbraw/zinc/93/67/98/1038936798.db2.gz WGUBYYWATICDBN-BEVDRBHNSA-N 1 1 305.425 3.702 20 30 DHEDMO N#Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1Cl ZINC000591573418 1038937353 /nfs/dbraw/zinc/93/73/53/1038937353.db2.gz UKKXBHMARVZFIK-KBAYOESNSA-N 1 1 317.864 3.612 20 30 DHEDMO CN(C)c1c(F)c(F)ccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000598988754 1038966169 /nfs/dbraw/zinc/96/61/69/1038966169.db2.gz SMBJQQGMMJHJGG-UHFFFAOYSA-N 1 1 307.388 3.594 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H]2CCCc3scnc32)cc1Cl ZINC000599047187 1039006927 /nfs/dbraw/zinc/00/69/27/1039006927.db2.gz YTUZHQWZALWEMF-ZDUSSCGKSA-N 1 1 303.818 3.835 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000591856328 1039033614 /nfs/dbraw/zinc/03/36/14/1039033614.db2.gz WTLHYKIUYRVEIY-IBGZPJMESA-N 1 1 310.441 3.648 20 30 DHEDMO Cc1[nH]c2nc[nH+]c(N[C@@H]3CCc4cc(C#N)ccc43)c2c1C ZINC000591934745 1039049299 /nfs/dbraw/zinc/04/92/99/1039049299.db2.gz BFMQKGNWTPTSTA-OAHLLOKOSA-N 1 1 303.369 3.546 20 30 DHEDMO CC(C)C[N@@H+](CCC[C@@H]1CCOC1)Cc1ccc(C#N)cc1 ZINC000592068155 1039114978 /nfs/dbraw/zinc/11/49/78/1039114978.db2.gz RAQJQYRQUYWBOW-LJQANCHMSA-N 1 1 300.446 3.833 20 30 DHEDMO Cc1ccc(C[C@H]2CCC[N@@H+](Cc3ccncc3C#N)C2)cc1 ZINC000592066125 1039116560 /nfs/dbraw/zinc/11/65/60/1039116560.db2.gz JMZWIWXAAGBPOX-GOSISDBHSA-N 1 1 305.425 3.716 20 30 DHEDMO N#Cc1cnccc1C[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000592126285 1039122110 /nfs/dbraw/zinc/12/21/10/1039122110.db2.gz LWBVFTLEXFQTCR-QGZVFWFLSA-N 1 1 315.779 3.987 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592139436 1039125750 /nfs/dbraw/zinc/12/57/50/1039125750.db2.gz BOOWMIPSRHONGS-LJQANCHMSA-N 1 1 314.473 3.980 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000592168623 1039139139 /nfs/dbraw/zinc/13/91/39/1039139139.db2.gz SXUSUJNBYOQLSS-MOPGFXCFSA-N 1 1 314.473 3.774 20 30 DHEDMO Cc1ccc(C[N@H+](Cc2ccc(C#N)c(C)c2)CC2CC2)cn1 ZINC000592145991 1039144176 /nfs/dbraw/zinc/14/41/76/1039144176.db2.gz IFKHGSQPINIOOS-UHFFFAOYSA-N 1 1 305.425 3.982 20 30 DHEDMO Cc1ccc(C[N@@H+](Cc2cc(C#N)ccc2F)CC2CC2)cn1 ZINC000592145651 1039144217 /nfs/dbraw/zinc/14/42/17/1039144217.db2.gz XYLDRWVMVATMDJ-UHFFFAOYSA-N 1 1 309.388 3.813 20 30 DHEDMO Cc1ccc(C[N@H+](Cc2cc(C#N)ccc2F)CC2CC2)cn1 ZINC000592145651 1039144223 /nfs/dbraw/zinc/14/42/23/1039144223.db2.gz XYLDRWVMVATMDJ-UHFFFAOYSA-N 1 1 309.388 3.813 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)CC1 ZINC000599437045 1039162211 /nfs/dbraw/zinc/16/22/11/1039162211.db2.gz LXBNOILUACOOBV-ZWKOTPCHSA-N 1 1 310.441 3.658 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](O)[C@@H]2CCc2ccccc2)cc1 ZINC000592169382 1039162756 /nfs/dbraw/zinc/16/27/56/1039162756.db2.gz ZSFRRUFEIVASIN-SFTDATJTSA-N 1 1 320.436 3.516 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000592168621 1039163045 /nfs/dbraw/zinc/16/30/45/1039163045.db2.gz SWIGOUTVJXYKOQ-RTWAWAEBSA-N 1 1 320.436 3.516 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)cc1 ZINC000603843185 1039180439 /nfs/dbraw/zinc/18/04/39/1039180439.db2.gz CEYWYMXWPHXCDB-HXUWFJFHSA-N 1 1 322.408 3.783 20 30 DHEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000603839936 1039194469 /nfs/dbraw/zinc/19/44/69/1039194469.db2.gz FQYKGARUIHUHAY-LJQANCHMSA-N 1 1 306.409 3.644 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586591 1039222623 /nfs/dbraw/zinc/22/26/23/1039222623.db2.gz AWCXSPQAKLLXIP-CABCVRRESA-N 1 1 308.466 3.616 20 30 DHEDMO Cc1cc(C)cc(-c2ccc(C[N@H+]3CC[C@@](O)(CC#N)C3)cc2)c1 ZINC000592522024 1039224655 /nfs/dbraw/zinc/22/46/55/1039224655.db2.gz GSFNSRRQOWTAGW-NRFANRHFSA-N 1 1 320.436 3.821 20 30 DHEDMO C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522780 1039224981 /nfs/dbraw/zinc/22/49/81/1039224981.db2.gz RVIPSXAYMMAQHA-JXFKEZNVSA-N 1 1 314.473 3.513 20 30 DHEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000058525704 1039235258 /nfs/dbraw/zinc/23/52/58/1039235258.db2.gz MHCLWGYCAMCAGC-SFHVURJKSA-N 1 1 324.399 3.913 20 30 DHEDMO N#Cc1ccccc1CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000603937348 1039235753 /nfs/dbraw/zinc/23/57/53/1039235753.db2.gz BVXVINIQECBCRY-UHFFFAOYSA-N 1 1 311.473 3.646 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2c(O)cccc2C1 ZINC000599645834 1039246794 /nfs/dbraw/zinc/24/67/94/1039246794.db2.gz FVOZLPUIGUXNFD-UHFFFAOYSA-N 1 1 306.409 3.752 20 30 DHEDMO C[C@H]1C[N@H+](C[C@H](C#N)CCC#N)CCc2ccc(Cl)cc21 ZINC000593068060 1039359054 /nfs/dbraw/zinc/35/90/54/1039359054.db2.gz XYUVLRFEIRITSO-KBPBESRZSA-N 1 1 301.821 3.745 20 30 DHEDMO C[C@H]1C[N@@H+](C[C@H](C#N)CCC#N)CCc2ccc(Cl)cc21 ZINC000593068060 1039359067 /nfs/dbraw/zinc/35/90/67/1039359067.db2.gz XYUVLRFEIRITSO-KBPBESRZSA-N 1 1 301.821 3.745 20 30 DHEDMO COc1ccc(Cl)c2c1CCC[C@H]2[N@@H+](C)CCOCCC#N ZINC000593104874 1039438836 /nfs/dbraw/zinc/43/88/36/1039438836.db2.gz KTSOZUWNBZFUQH-OAHLLOKOSA-N 1 1 322.836 3.588 20 30 DHEDMO CC[N@@H+](Cc1ccnn1CC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000592497907 1039535794 /nfs/dbraw/zinc/53/57/94/1039535794.db2.gz ILSBZFHLMLABFO-MRXNPFEDSA-N 1 1 310.445 3.994 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000605149922 1039638825 /nfs/dbraw/zinc/63/88/25/1039638825.db2.gz QDCJEZREXUHTDR-HUUCEWRRSA-N 1 1 300.229 3.850 20 30 DHEDMO CC[C@H](CC#N)[NH2+]CC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000594010029 1039678646 /nfs/dbraw/zinc/67/86/46/1039678646.db2.gz VTBKDQKTTHYBPO-MRXNPFEDSA-N 1 1 319.493 3.762 20 30 DHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C1CC1)C1CCCC1 ZINC000594203174 1039715301 /nfs/dbraw/zinc/71/53/01/1039715301.db2.gz PFYYXJVOASTXNN-IBGZPJMESA-N 1 1 315.457 3.562 20 30 DHEDMO COc1ccc(C[C@@H](C)C[N@H+]2Cc3ccc(C#N)cc3C2)cc1F ZINC000594615037 1039875348 /nfs/dbraw/zinc/87/53/48/1039875348.db2.gz RCSNQLFBKODKJX-CQSZACIVSA-N 1 1 324.399 3.900 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000606451513 1039894128 /nfs/dbraw/zinc/89/41/28/1039894128.db2.gz QJWJNYMYUXQXSA-GOSISDBHSA-N 1 1 322.383 3.792 20 30 DHEDMO N#CC1(c2ccc(CNc3ccc(C4CCC4)c[nH+]3)cc2)CC1 ZINC000594735047 1039902473 /nfs/dbraw/zinc/90/24/73/1039902473.db2.gz IEEAXUGDFNQBFU-UHFFFAOYSA-N 1 1 303.409 4.516 20 30 DHEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000594014344 1039940761 /nfs/dbraw/zinc/94/07/61/1039940761.db2.gz ASDWNEFTQLYYMU-UHFFFAOYSA-N 1 1 317.314 3.751 20 30 DHEDMO N#Cc1ccc(C2([NH2+]Cc3cccc(F)c3C#N)CCC2)cc1 ZINC000594036102 1039994496 /nfs/dbraw/zinc/99/44/96/1039994496.db2.gz VOWKHXNJRMRCCM-UHFFFAOYSA-N 1 1 305.356 3.738 20 30 DHEDMO COc1cc(C)c(C[NH2+]CC2(C#N)CCCCC2)cc1OC ZINC000594981428 1039995166 /nfs/dbraw/zinc/99/51/66/1039995166.db2.gz PKVLVYINDVNRSB-UHFFFAOYSA-N 1 1 302.418 3.576 20 30 DHEDMO Cn1cc(C[NH2+]CC2(C#N)CCCCC2)c(-c2cccs2)n1 ZINC000594981937 1040001279 /nfs/dbraw/zinc/00/12/79/1040001279.db2.gz VRFNEAMEVJPURU-UHFFFAOYSA-N 1 1 314.458 3.712 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1csc(-c2cnn(C)c2)n1 ZINC000606902257 1040029436 /nfs/dbraw/zinc/02/94/36/1040029436.db2.gz LAXDRCTYBOSFIH-UHFFFAOYSA-N 1 1 304.463 3.722 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000606902722 1040029954 /nfs/dbraw/zinc/02/99/54/1040029954.db2.gz XWMUTSQTCKMXJI-UHFFFAOYSA-N 1 1 324.852 3.965 20 30 DHEDMO C[C@H](O)C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000594061089 1040053908 /nfs/dbraw/zinc/05/39/08/1040053908.db2.gz BLBVFLPVZHRFCY-HNNXBMFYSA-N 1 1 306.409 3.570 20 30 DHEDMO N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000595079997 1040073264 /nfs/dbraw/zinc/07/32/64/1040073264.db2.gz IMEXALZPHZGNHZ-YLJYHZDGSA-N 1 1 309.457 3.542 20 30 DHEDMO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C3CCCCC3)C1)CC2 ZINC000595079997 1040073279 /nfs/dbraw/zinc/07/32/79/1040073279.db2.gz IMEXALZPHZGNHZ-YLJYHZDGSA-N 1 1 309.457 3.542 20 30 DHEDMO COC(=O)c1csc([C@H](C)[NH2+]CC2(C#N)CCCCC2)c1 ZINC000595090506 1040074800 /nfs/dbraw/zinc/07/48/00/1040074800.db2.gz GUKOZLACUAQXOZ-LBPRGKRZSA-N 1 1 306.431 3.659 20 30 DHEDMO Cn1cc[nH+]c1C[C@@H](Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000078558880 1040086582 /nfs/dbraw/zinc/08/65/82/1040086582.db2.gz BNXAZTJHDIYPEM-GOSISDBHSA-N 1 1 320.371 3.827 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595329544 1040100133 /nfs/dbraw/zinc/10/01/33/1040100133.db2.gz UKCQQHDOGBRQCX-MRXNPFEDSA-N 1 1 321.509 3.533 20 30 DHEDMO CC(C)[N@@H+](C)CC1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000595307856 1040104580 /nfs/dbraw/zinc/10/45/80/1040104580.db2.gz MSBSNKZFPKBMCC-SFHVURJKSA-N 1 1 319.880 3.957 20 30 DHEDMO N#C[C@@H](c1ccc(Cl)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000595376526 1040128159 /nfs/dbraw/zinc/12/81/59/1040128159.db2.gz KALHJNIGVLBRKY-ZFWWWQNUSA-N 1 1 300.793 3.507 20 30 DHEDMO N#Cc1ccc(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000595403428 1040138487 /nfs/dbraw/zinc/13/84/87/1040138487.db2.gz FHNCHXGCSZGGSE-UHFFFAOYSA-N 1 1 321.380 3.674 20 30 DHEDMO CCCCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000063246993 1040166769 /nfs/dbraw/zinc/16/67/69/1040166769.db2.gz DRJAFTKGAMVGJN-UHFFFAOYSA-N 1 1 301.434 3.787 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C)C2)cc1 ZINC000158261672 1040184740 /nfs/dbraw/zinc/18/47/40/1040184740.db2.gz BUBUESLLAFXUQC-JKSUJKDBSA-N 1 1 322.880 3.810 20 30 DHEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595632040 1040198702 /nfs/dbraw/zinc/19/87/02/1040198702.db2.gz LHZVIOQQZIGEEA-CYBMUJFWSA-N 1 1 315.417 3.642 20 30 DHEDMO Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595615353 1040206985 /nfs/dbraw/zinc/20/69/85/1040206985.db2.gz QDHNQAHCFHUGSA-LSDHHAIUSA-N 1 1 310.401 3.732 20 30 DHEDMO Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595615353 1040206989 /nfs/dbraw/zinc/20/69/89/1040206989.db2.gz QDHNQAHCFHUGSA-LSDHHAIUSA-N 1 1 310.401 3.732 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)c1 ZINC000595715523 1040229804 /nfs/dbraw/zinc/22/98/04/1040229804.db2.gz BLGNOVZGOUMOTI-GOSISDBHSA-N 1 1 308.381 3.505 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)c1 ZINC000595715523 1040229810 /nfs/dbraw/zinc/22/98/10/1040229810.db2.gz BLGNOVZGOUMOTI-GOSISDBHSA-N 1 1 308.381 3.505 20 30 DHEDMO COc1cccc([C@@]2(C)CC[N@@H+](CCCC(C)(C)C#N)C2)c1 ZINC000595762919 1040234635 /nfs/dbraw/zinc/23/46/35/1040234635.db2.gz CFMAXFMLXXLHMN-IBGZPJMESA-N 1 1 300.446 3.989 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(Cl)c1 ZINC000595789297 1040252010 /nfs/dbraw/zinc/25/20/10/1040252010.db2.gz QNCHROWQCHKICE-WMZOPIPTSA-N 1 1 318.848 3.993 20 30 DHEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000595782953 1040253713 /nfs/dbraw/zinc/25/37/13/1040253713.db2.gz KSFCTQKNGXOPGF-ZIAGYGMSSA-N 1 1 310.401 3.619 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000595845969 1040260859 /nfs/dbraw/zinc/26/08/59/1040260859.db2.gz YKMTXPJCDMSUPY-HDICACEKSA-N 1 1 318.424 3.735 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000595845969 1040260875 /nfs/dbraw/zinc/26/08/75/1040260875.db2.gz YKMTXPJCDMSUPY-HDICACEKSA-N 1 1 318.424 3.735 20 30 DHEDMO N#CC1(CCC[N@H+]2CC3CC2(c2ccccc2)C3)CCOCC1 ZINC000595909860 1040274412 /nfs/dbraw/zinc/27/44/12/1040274412.db2.gz UFLNOHMDNBJLQY-UHFFFAOYSA-N 1 1 310.441 3.708 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC3CC2(c2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000595910703 1040275216 /nfs/dbraw/zinc/27/52/16/1040275216.db2.gz XKKLHBMTIVZFHO-UHFFFAOYSA-N 1 1 319.364 3.588 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC3CC2(c2ccccc2)C3)c([N+](=O)[O-])c1 ZINC000595910703 1040275225 /nfs/dbraw/zinc/27/52/25/1040275225.db2.gz XKKLHBMTIVZFHO-UHFFFAOYSA-N 1 1 319.364 3.588 20 30 DHEDMO N#Cc1ccc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000596570002 1040488985 /nfs/dbraw/zinc/48/89/85/1040488985.db2.gz GEQZTLMRNVBQED-CQSZACIVSA-N 1 1 303.837 3.746 20 30 DHEDMO Cn1ncc2c1CC(C)(C)C[N@@H+](CCCCC(C)(C)C#N)C2 ZINC000596598348 1040507477 /nfs/dbraw/zinc/50/74/77/1040507477.db2.gz LWISPVIGACXMJG-UHFFFAOYSA-N 1 1 302.466 3.524 20 30 DHEDMO CC[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000596649831 1040539327 /nfs/dbraw/zinc/53/93/27/1040539327.db2.gz MJTYGBNRXTWKSU-QHAWAJNXSA-N 1 1 319.452 3.745 20 30 DHEDMO CC(C)C[N@@H+](Cc1c(C2CC2)cnn1C)Cc1ccc(C#N)cc1 ZINC000596984907 1040617272 /nfs/dbraw/zinc/61/72/72/1040617272.db2.gz XKRHMHCEKDBRBQ-UHFFFAOYSA-N 1 1 322.456 3.827 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCCC[C@H]3c3cc[nH]n3)cc2)CC1 ZINC000597127326 1040655552 /nfs/dbraw/zinc/65/55/52/1040655552.db2.gz FDJPHELTIZWXJQ-SFHVURJKSA-N 1 1 306.413 3.692 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCCC[C@H]3c3cc[nH]n3)cc2)CC1 ZINC000597127326 1040655562 /nfs/dbraw/zinc/65/55/62/1040655562.db2.gz FDJPHELTIZWXJQ-SFHVURJKSA-N 1 1 306.413 3.692 20 30 DHEDMO COC1(c2ccccc2)C[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597131528 1040658635 /nfs/dbraw/zinc/65/86/35/1040658635.db2.gz WOQIOFJBIMMJRK-UHFFFAOYSA-N 1 1 318.420 3.599 20 30 DHEDMO CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1OC ZINC000597172490 1040666802 /nfs/dbraw/zinc/66/68/02/1040666802.db2.gz AXWYUWWYIFFWAG-HOTGVXAUSA-N 1 1 316.445 3.998 20 30 DHEDMO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CC(CC#N)C1 ZINC000597194313 1040676576 /nfs/dbraw/zinc/67/65/76/1040676576.db2.gz RLWPXLWZRZWNGI-UHFFFAOYSA-N 1 1 308.429 3.515 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000597175653 1040676661 /nfs/dbraw/zinc/67/66/61/1040676661.db2.gz CEQIBSTXSZUPLQ-GFCCVEGCSA-N 1 1 303.456 3.997 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000597175653 1040676669 /nfs/dbraw/zinc/67/66/69/1040676669.db2.gz CEQIBSTXSZUPLQ-GFCCVEGCSA-N 1 1 303.456 3.997 20 30 DHEDMO CN(CCc1ccccc1)[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000597208897 1040684321 /nfs/dbraw/zinc/68/43/21/1040684321.db2.gz OTFRVRPPUJQRKN-LJQANCHMSA-N 1 1 313.489 3.565 20 30 DHEDMO C[N@H+](CCc1ccccc1)[C@@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000597208897 1040684326 /nfs/dbraw/zinc/68/43/26/1040684326.db2.gz OTFRVRPPUJQRKN-LJQANCHMSA-N 1 1 313.489 3.565 20 30 DHEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(CC(C)(C)CCC#N)C1 ZINC000597208897 1040684335 /nfs/dbraw/zinc/68/43/35/1040684335.db2.gz OTFRVRPPUJQRKN-LJQANCHMSA-N 1 1 313.489 3.565 20 30 DHEDMO COc1ccc(C[N@@H+](C)C[C@@H]2CC2(C)C)cc1OCCCC#N ZINC000597251981 1040712919 /nfs/dbraw/zinc/71/29/19/1040712919.db2.gz GTJPIAJIBUGZNZ-INIZCTEOSA-N 1 1 316.445 3.856 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccc(C[NH3+])cc1F ZINC000593322300 1040715163 /nfs/dbraw/zinc/71/51/63/1040715163.db2.gz MABPZGAPEOCCIG-HXUWFJFHSA-N 1 1 323.415 3.713 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456346941 1040784758 /nfs/dbraw/zinc/78/47/58/1040784758.db2.gz UGVLJCSVDTZKQA-MSOLQXFVSA-N 1 1 314.473 3.569 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnn(C)c1C(F)(F)F ZINC000442673772 1041005135 /nfs/dbraw/zinc/00/51/35/1041005135.db2.gz ALJNNNUVYGVZFI-LLVKDONJSA-N 1 1 322.334 3.504 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn(C)c1C(F)(F)F ZINC000442673772 1041005149 /nfs/dbraw/zinc/00/51/49/1041005149.db2.gz ALJNNNUVYGVZFI-LLVKDONJSA-N 1 1 322.334 3.504 20 30 DHEDMO COc1ccccc1C[N@@H+](C[C@H](C)CCC#N)C[C@H]1CCCO1 ZINC000602450474 1041029803 /nfs/dbraw/zinc/02/98/03/1041029803.db2.gz VZFZAMDDELEOED-SJLPKXTDSA-N 1 1 316.445 3.616 20 30 DHEDMO COc1ccc(OC)c(C[N@@H+](C[C@H](C)CCC#N)C2CC2)c1 ZINC000602438067 1041031287 /nfs/dbraw/zinc/03/12/87/1041031287.db2.gz GZFBPZGMWGNRKN-CQSZACIVSA-N 1 1 302.418 3.608 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000602433436 1041031645 /nfs/dbraw/zinc/03/16/45/1041031645.db2.gz LESLRTHMMIZETE-AWEZNQCLSA-N 1 1 319.424 3.805 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC000442681235 1041033769 /nfs/dbraw/zinc/03/37/69/1041033769.db2.gz OWXLIOSWROPAIY-CQSZACIVSA-N 1 1 302.418 3.673 20 30 DHEDMO CCC[N@@H+](Cc1c2c(nn1C)CCCC2)Cc1ccc(C#N)cc1 ZINC000602445523 1041037312 /nfs/dbraw/zinc/03/73/12/1041037312.db2.gz WRBDXPLAWWRLTF-UHFFFAOYSA-N 1 1 322.456 3.583 20 30 DHEDMO CC[N@H+](C[C@@H](C)CCC#N)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602479956 1041051874 /nfs/dbraw/zinc/05/18/74/1041051874.db2.gz CNWUGSXJWYOAQT-ICSRJNTNSA-N 1 1 313.489 3.770 20 30 DHEDMO CC[N@@H+](C[C@@H](C)CCC#N)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602479956 1041051888 /nfs/dbraw/zinc/05/18/88/1041051888.db2.gz CNWUGSXJWYOAQT-ICSRJNTNSA-N 1 1 313.489 3.770 20 30 DHEDMO CC[N@H+](C[C@@H](C)CCC#N)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000602479955 1041052999 /nfs/dbraw/zinc/05/29/99/1041052999.db2.gz CNWUGSXJWYOAQT-AZUAARDMSA-N 1 1 313.489 3.770 20 30 DHEDMO CC[N@@H+](C[C@@H](C)CCC#N)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000602479955 1041053012 /nfs/dbraw/zinc/05/30/12/1041053012.db2.gz CNWUGSXJWYOAQT-AZUAARDMSA-N 1 1 313.489 3.770 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000602483015 1041053321 /nfs/dbraw/zinc/05/33/21/1041053321.db2.gz IHHNVEUXLAFMOA-CZUORRHYSA-N 1 1 324.371 3.601 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000602483015 1041053335 /nfs/dbraw/zinc/05/33/35/1041053335.db2.gz IHHNVEUXLAFMOA-CZUORRHYSA-N 1 1 324.371 3.601 20 30 DHEDMO Cc1ncc([C@H](C)[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C)n1 ZINC000602483571 1041054117 /nfs/dbraw/zinc/05/41/17/1041054117.db2.gz MUEAIKZASDATHF-CVAIRZPRSA-N 1 1 320.440 3.926 20 30 DHEDMO Cc1ncc([C@H](C)[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C)n1 ZINC000602483571 1041054131 /nfs/dbraw/zinc/05/41/31/1041054131.db2.gz MUEAIKZASDATHF-CVAIRZPRSA-N 1 1 320.440 3.926 20 30 DHEDMO C[C@@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602590061 1041106366 /nfs/dbraw/zinc/10/63/66/1041106366.db2.gz VSSVELDIJXUAGL-BXXUTWAOSA-N 1 1 311.473 3.569 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000602637641 1041139117 /nfs/dbraw/zinc/13/91/17/1041139117.db2.gz NNGNWRVDJIXOJG-IAGOWNOFSA-N 1 1 322.456 3.685 20 30 DHEDMO N#Cc1cccc(C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)n1 ZINC000602690407 1041152239 /nfs/dbraw/zinc/15/22/39/1041152239.db2.gz LVFSRINHNPQRBO-IBGZPJMESA-N 1 1 303.409 3.723 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000602692975 1041155337 /nfs/dbraw/zinc/15/53/37/1041155337.db2.gz KJALBJLPKBOCQA-CVEARBPZSA-N 1 1 308.466 3.760 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2CC2(CC#N)CC2)cc1OC ZINC000602758956 1041192671 /nfs/dbraw/zinc/19/26/71/1041192671.db2.gz KGFFHOUQYXTIOC-OAHLLOKOSA-N 1 1 300.402 3.535 20 30 DHEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC2(CC#N)CC2)c1 ZINC000602765026 1041213703 /nfs/dbraw/zinc/21/37/03/1041213703.db2.gz ACXSHNMNFKEMAK-INIZCTEOSA-N 1 1 300.402 3.535 20 30 DHEDMO N#CCC1(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)CC1 ZINC000602824485 1041244263 /nfs/dbraw/zinc/24/42/63/1041244263.db2.gz ZANXPBWBGXUSTL-UHFFFAOYSA-N 1 1 302.393 3.501 20 30 DHEDMO C[C@@H](CCC#N)[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000602893028 1041299198 /nfs/dbraw/zinc/29/91/98/1041299198.db2.gz OJSYZPQFODSGEM-JTQLQIEISA-N 1 1 310.323 3.706 20 30 DHEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000602893028 1041299211 /nfs/dbraw/zinc/29/92/11/1041299211.db2.gz OJSYZPQFODSGEM-JTQLQIEISA-N 1 1 310.323 3.706 20 30 DHEDMO C[N@H+](Cc1nc2cc(C(F)(F)F)ccc2[nH]1)[C@@H]1CC[C@@H](C#N)C1 ZINC000602893700 1041299624 /nfs/dbraw/zinc/29/96/24/1041299624.db2.gz SIJRBDWWPNMVQT-ZYHUDNBSSA-N 1 1 322.334 3.706 20 30 DHEDMO C[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2[nH]1)[C@@H]1CC[C@@H](C#N)C1 ZINC000602893700 1041299637 /nfs/dbraw/zinc/29/96/37/1041299637.db2.gz SIJRBDWWPNMVQT-ZYHUDNBSSA-N 1 1 322.334 3.706 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000602900362 1041304311 /nfs/dbraw/zinc/30/43/11/1041304311.db2.gz SVBPLSUKTHJJQP-KRWDZBQOSA-N 1 1 306.413 3.615 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H]1c1ncccn1 ZINC000602900362 1041304338 /nfs/dbraw/zinc/30/43/38/1041304338.db2.gz SVBPLSUKTHJJQP-KRWDZBQOSA-N 1 1 306.413 3.615 20 30 DHEDMO C[N@@H+](Cc1ccc(Br)cc1F)[C@@H]1CC[C@H](C#N)C1 ZINC000602926396 1041307981 /nfs/dbraw/zinc/30/79/81/1041307981.db2.gz PLQLHRJFYRFWKJ-GXFFZTMASA-N 1 1 311.198 3.712 20 30 DHEDMO C[N@H+](Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602975517 1041335344 /nfs/dbraw/zinc/33/53/44/1041335344.db2.gz BZUDONXZXSTJBD-UKRRQHHQSA-N 1 1 312.335 3.752 20 30 DHEDMO C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602975517 1041335355 /nfs/dbraw/zinc/33/53/55/1041335355.db2.gz BZUDONXZXSTJBD-UKRRQHHQSA-N 1 1 312.335 3.752 20 30 DHEDMO Cc1cccc(C)c1NC(=O)CCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602975500 1041336218 /nfs/dbraw/zinc/33/62/18/1041336218.db2.gz BYHKWSPRVKIWKS-IAGOWNOFSA-N 1 1 313.445 3.646 20 30 DHEDMO C[N@H+](Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598587527 1041347446 /nfs/dbraw/zinc/34/74/46/1041347446.db2.gz SHKHPDPJJJKMGI-KRWDZBQOSA-N 1 1 302.462 3.717 20 30 DHEDMO CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)CC(C)(C)C#N ZINC000598584673 1041348812 /nfs/dbraw/zinc/34/88/12/1041348812.db2.gz RHUVSEAOFNGAMI-LLVKDONJSA-N 1 1 300.855 3.524 20 30 DHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@@H](O)CC(C)(C)C#N ZINC000598593114 1041352671 /nfs/dbraw/zinc/35/26/71/1041352671.db2.gz PZFJXLACFDMPDH-ROUUACIJSA-N 1 1 302.462 3.630 20 30 DHEDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598595582 1041353719 /nfs/dbraw/zinc/35/37/19/1041353719.db2.gz PFBPZFNLFUGAKB-ZOBUZTSGSA-N 1 1 318.461 3.916 20 30 DHEDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598595820 1041354925 /nfs/dbraw/zinc/35/49/25/1041354925.db2.gz WIXOZRWMBLMUQB-STQMWFEESA-N 1 1 317.458 3.590 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598616454 1041362501 /nfs/dbraw/zinc/36/25/01/1041362501.db2.gz AYKVVMOAGOEOLD-AHCXZYCDSA-N 1 1 300.446 3.554 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000598616258 1041362542 /nfs/dbraw/zinc/36/25/42/1041362542.db2.gz LFVLECJHHJPNQG-QUCCMNQESA-N 1 1 314.473 3.731 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000598622172 1041364618 /nfs/dbraw/zinc/36/46/18/1041364618.db2.gz MEXGGRCKAPSRIV-IAGOWNOFSA-N 1 1 300.446 3.555 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC(=O)N(CC)c1nc2ccccc2s1 ZINC000096954694 185393659 /nfs/dbraw/zinc/39/36/59/185393659.db2.gz FPMYYZJHLQYCOO-UHFFFAOYSA-N 1 1 317.458 3.547 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N(CC)c1nc2ccccc2s1 ZINC000096954694 185393660 /nfs/dbraw/zinc/39/36/60/185393660.db2.gz FPMYYZJHLQYCOO-UHFFFAOYSA-N 1 1 317.458 3.547 20 30 DHEDMO C=CCC[C@@H]([NH2+]Cc1csc(NC(C)=O)n1)c1ccccc1 ZINC000180039707 334942910 /nfs/dbraw/zinc/94/29/10/334942910.db2.gz AJPNYKYQXZFMFV-MRXNPFEDSA-N 1 1 315.442 3.899 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 ZINC000016339589 182040619 /nfs/dbraw/zinc/04/06/19/182040619.db2.gz CZWZUQSYCALRGH-SFHVURJKSA-N 1 1 320.392 3.667 20 30 DHEDMO C=CCCCC(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000286476408 335035189 /nfs/dbraw/zinc/03/51/89/335035189.db2.gz PMQIBQDAFYOOTG-QGZVFWFLSA-N 1 1 312.413 3.583 20 30 DHEDMO C=CC[N@H+](CCCCOc1c(OC)cccc1OC)C1CC1 ZINC000289688863 335062551 /nfs/dbraw/zinc/06/25/51/335062551.db2.gz DUFCAPXJAMGNAF-UHFFFAOYSA-N 1 1 305.418 3.513 20 30 DHEDMO CC[N@@H+](Cc1cccc(O)c1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000272275866 130016124 /nfs/dbraw/zinc/01/61/24/130016124.db2.gz MCOIXZRZGCQUBP-CQSZACIVSA-N 1 1 310.397 3.856 20 30 DHEDMO COc1cc(C[NH2+]Cc2ncc(C(C)(C)C)s2)ccc1C#N ZINC000353181397 130243158 /nfs/dbraw/zinc/24/31/58/130243158.db2.gz FAOYEAQAEYHRPN-UHFFFAOYSA-N 1 1 315.442 3.611 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2Cc2ccccc2C#N)C1 ZINC000340213345 131198807 /nfs/dbraw/zinc/19/88/07/131198807.db2.gz WNXFNPOFADSROP-NMLACTOBSA-N 1 1 312.457 3.710 20 30 DHEDMO C[N@H+]1CC[C@H](Nc2nc(Cl)c(C#N)s2)[C@@H]1c1ccccc1 ZINC000286562461 131241421 /nfs/dbraw/zinc/24/14/21/131241421.db2.gz QYYSLAQKPGJORX-AAEUAGOBSA-N 1 1 318.833 3.525 20 30 DHEDMO C[C@@H](N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000286851042 131252242 /nfs/dbraw/zinc/25/22/42/131252242.db2.gz ALKVTRBNINXSNQ-KUHUBIRLSA-N 1 1 311.404 3.651 20 30 DHEDMO C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000287058687 131262396 /nfs/dbraw/zinc/26/23/96/131262396.db2.gz XIKCWHNLOANIMM-MNOVXSKESA-N 1 1 324.881 3.733 20 30 DHEDMO CC1(C)C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000287122850 131264962 /nfs/dbraw/zinc/26/49/62/131264962.db2.gz ZINMNTMZYFYULJ-DOTOQJQBSA-N 1 1 312.438 3.736 20 30 DHEDMO CC1(C)C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000287122858 131265310 /nfs/dbraw/zinc/26/53/10/131265310.db2.gz ZINMNTMZYFYULJ-WBVHZDCISA-N 1 1 312.438 3.736 20 30 DHEDMO CC[N@@H+](C[C@@H](O)c1ccccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000299092949 132088688 /nfs/dbraw/zinc/08/86/88/132088688.db2.gz UNFORIFAEVOHRP-IFXJQAMLSA-N 1 1 312.388 3.814 20 30 DHEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000120888816 132147071 /nfs/dbraw/zinc/14/70/71/132147071.db2.gz HHKNUEXGYAWEKM-ZBFHGGJFSA-N 1 1 317.433 3.607 20 30 DHEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CC2CCCCC2)c(C#N)c1C ZINC000044715151 132160202 /nfs/dbraw/zinc/16/02/02/132160202.db2.gz UYYQLFHKNUGINK-ZDUSSCGKSA-N 1 1 317.433 3.607 20 30 DHEDMO CC(C)CCOC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000340761256 132181874 /nfs/dbraw/zinc/18/18/74/132181874.db2.gz OAKISTDGYWOPTH-UHFFFAOYSA-N 1 1 304.409 3.724 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](n3cccn3)C2)cc1Cl ZINC000291363633 335081738 /nfs/dbraw/zinc/08/17/38/335081738.db2.gz YOOYQKWIPPLIRW-OAHLLOKOSA-N 1 1 317.820 3.548 20 30 DHEDMO Cc1c(Cl)cnc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1C#N ZINC000542208029 435646760 /nfs/dbraw/zinc/64/67/60/435646760.db2.gz DDVAQXGZELNGOC-AWEZNQCLSA-N 1 1 320.868 3.695 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000520042049 332030811 /nfs/dbraw/zinc/03/08/11/332030811.db2.gz FGLYKHNNSXRBSS-LJQANCHMSA-N 1 1 324.399 3.783 20 30 DHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](CC)[C@H](C)C(C)C ZINC000520060026 332053105 /nfs/dbraw/zinc/05/31/05/332053105.db2.gz DDLPDDYXRXXEHQ-AEFFLSMTSA-N 1 1 305.462 3.521 20 30 DHEDMO CCC[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000521196687 332065479 /nfs/dbraw/zinc/06/54/79/332065479.db2.gz UKROQFKPSMRVIG-UHFFFAOYSA-N 1 1 312.388 3.988 20 30 DHEDMO C[N@H+](Cc1ccccc1)CC(C)(C)NCc1cccc(C#N)c1 ZINC000159381354 332081578 /nfs/dbraw/zinc/08/15/78/332081578.db2.gz MCCAZPMWIPVEDJ-UHFFFAOYSA-N 1 1 307.441 3.558 20 30 DHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1cccc(C#N)c1 ZINC000159381354 332081580 /nfs/dbraw/zinc/08/15/80/332081580.db2.gz MCCAZPMWIPVEDJ-UHFFFAOYSA-N 1 1 307.441 3.558 20 30 DHEDMO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1ccc(C#N)o1 ZINC000092166141 332114064 /nfs/dbraw/zinc/11/40/64/332114064.db2.gz BBXFOIGMNVTLQM-UHFFFAOYSA-N 1 1 304.777 3.706 20 30 DHEDMO C=CC[N@@H+](Cc1cnc2c(C)cccn12)Cc1cccc(C#N)c1 ZINC000092504434 332131400 /nfs/dbraw/zinc/13/14/00/332131400.db2.gz HTSCTVTWETXSDX-UHFFFAOYSA-N 1 1 316.408 3.703 20 30 DHEDMO C=CC[N@H+](Cc1cnc2c(C)cccn12)Cc1cccc(C#N)c1 ZINC000092504434 332131401 /nfs/dbraw/zinc/13/14/01/332131401.db2.gz HTSCTVTWETXSDX-UHFFFAOYSA-N 1 1 316.408 3.703 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnc2nc(C)cc(C)n12 ZINC000092505670 332132165 /nfs/dbraw/zinc/13/21/65/332132165.db2.gz IOEIDIQTYKMEOR-UHFFFAOYSA-N 1 1 320.440 3.577 20 30 DHEDMO COc1cc(C[N@H+](CCC#N)CC2CC2)ccc1OC(C)C ZINC000093091283 332134022 /nfs/dbraw/zinc/13/40/22/332134022.db2.gz VFFWKDJKNKMVHW-UHFFFAOYSA-N 1 1 302.418 3.608 20 30 DHEDMO COc1cc(C[N@@H+](CCC#N)CC2CC2)ccc1OC(C)C ZINC000093091283 332134024 /nfs/dbraw/zinc/13/40/24/332134024.db2.gz VFFWKDJKNKMVHW-UHFFFAOYSA-N 1 1 302.418 3.608 20 30 DHEDMO C=CCC[C@@H](C(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000427094410 332167274 /nfs/dbraw/zinc/16/72/74/332167274.db2.gz QCMOOGGLJGMMCN-LJQANCHMSA-N 1 1 314.473 3.727 20 30 DHEDMO C=CCC[C@H](C(=O)NCC[N@H+](C)[C@H](C)CC)c1ccccc1 ZINC000427101570 332167661 /nfs/dbraw/zinc/16/76/61/332167661.db2.gz PNZKMYUETKGGFB-AEFFLSMTSA-N 1 1 302.462 3.583 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000292881960 335097185 /nfs/dbraw/zinc/09/71/85/335097185.db2.gz SUHGMKQRNGELRK-WMZOPIPTSA-N 1 1 314.473 3.616 20 30 DHEDMO C#CCCOc1ccc(C[NH2+][C@@](C)(CC)c2nccs2)cc1 ZINC000152647512 332313296 /nfs/dbraw/zinc/31/32/96/332313296.db2.gz RMTYLDSGQXZCEY-SFHVURJKSA-N 1 1 314.454 3.960 20 30 DHEDMO C#CCOc1ccc(C[NH2+][C@@](C)(CC)c2nccs2)cc1 ZINC000152604211 332313425 /nfs/dbraw/zinc/31/34/25/332313425.db2.gz SVPIPJFYHQBDID-KRWDZBQOSA-N 1 1 300.427 3.570 20 30 DHEDMO C=CCCCC[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000560218080 332319965 /nfs/dbraw/zinc/31/99/65/332319965.db2.gz DRNROAOKMIECGL-SFHVURJKSA-N 1 1 301.409 3.937 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2sc(CC)nc2C)CC1 ZINC000152940842 332332842 /nfs/dbraw/zinc/33/28/42/332332842.db2.gz WIISEDFKJKTUCT-CYBMUJFWSA-N 1 1 307.507 3.705 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](CC(C)C)c2ccccn2)CC1 ZINC000152944415 332333676 /nfs/dbraw/zinc/33/36/76/332333676.db2.gz XOHHIIBWDRSSQE-IBGZPJMESA-N 1 1 301.478 3.799 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H]2CCCOc3ccc(C)cc32)CC1 ZINC000152998135 332338881 /nfs/dbraw/zinc/33/88/81/332338881.db2.gz JOJJNLOPTWTLAD-IBGZPJMESA-N 1 1 314.473 3.839 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@@H]1CCCN(C(C)C)C1=O)c1ccc(F)c(F)c1 ZINC000187766881 332356060 /nfs/dbraw/zinc/35/60/60/332356060.db2.gz LBKCTXQKXWPFND-IAGOWNOFSA-N 1 1 322.399 3.571 20 30 DHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC000123660582 332426258 /nfs/dbraw/zinc/42/62/58/332426258.db2.gz PGUKLJFDUBUOTQ-UHFFFAOYSA-N 1 1 324.428 3.570 20 30 DHEDMO CC[C@H](C#N)Oc1cc(CNc2cccc(C)[nH+]2)ccc1OC ZINC000157560651 332529695 /nfs/dbraw/zinc/52/96/95/332529695.db2.gz VSVNKFLBOAAWAX-OAHLLOKOSA-N 1 1 311.385 3.692 20 30 DHEDMO C=CCCCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000448151788 332660631 /nfs/dbraw/zinc/66/06/31/332660631.db2.gz RNDRIEIFAKTWHF-CQSZACIVSA-N 1 1 312.417 3.507 20 30 DHEDMO C=CC[N@H+](CCCO[C@H]1CCCCO1)Cc1ccc(OC)cc1 ZINC000460380191 333075403 /nfs/dbraw/zinc/07/54/03/333075403.db2.gz LYSVMBMCTICEIL-IBGZPJMESA-N 1 1 319.445 3.617 20 30 DHEDMO CC(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000114728927 333146546 /nfs/dbraw/zinc/14/65/46/333146546.db2.gz FYKFTHYZYSBCNE-INIZCTEOSA-N 1 1 313.445 3.645 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCC3(CCOCC3)[C@H]2C)c1 ZINC000363869434 333186542 /nfs/dbraw/zinc/18/65/42/333186542.db2.gz QZRHLUXYKBIHJC-MRXNPFEDSA-N 1 1 301.430 3.642 20 30 DHEDMO CC(C)(CCC#N)C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000309672971 333187076 /nfs/dbraw/zinc/18/70/76/333187076.db2.gz UOZPWFVKVOSDCC-LJQANCHMSA-N 1 1 313.489 3.818 20 30 DHEDMO C[C@H]([NH2+]CC(C)(C)CCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309778939 333196526 /nfs/dbraw/zinc/19/65/26/333196526.db2.gz KDNITOXWBNAZMV-HKUYNNGSSA-N 1 1 313.489 3.817 20 30 DHEDMO C[C@H]([NH2+]CC(C)(C)CCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309778939 333196529 /nfs/dbraw/zinc/19/65/29/333196529.db2.gz KDNITOXWBNAZMV-HKUYNNGSSA-N 1 1 313.489 3.817 20 30 DHEDMO CN(c1ccc(C#N)cc1F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388176965 333217001 /nfs/dbraw/zinc/21/70/01/333217001.db2.gz LUVMKJXBSAWDTH-SFHVURJKSA-N 1 1 323.415 3.798 20 30 DHEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000497255276 333227870 /nfs/dbraw/zinc/22/78/70/333227870.db2.gz WZJXTOVCSBINNJ-OAGGEKHMSA-N 1 1 323.481 3.504 20 30 DHEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000497255277 333227944 /nfs/dbraw/zinc/22/79/44/333227944.db2.gz WZJXTOVCSBINNJ-OWCLPIDISA-N 1 1 323.481 3.504 20 30 DHEDMO CC[N@@H+](CCC#N)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000497292559 333232083 /nfs/dbraw/zinc/23/20/83/333232083.db2.gz JDLIPLHCOGHZBW-WKILWMFISA-N 1 1 323.481 3.553 20 30 DHEDMO N#Cc1cc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000310563016 333254202 /nfs/dbraw/zinc/25/42/02/333254202.db2.gz WKAYFBVFLJMNAP-GOSISDBHSA-N 1 1 320.440 3.667 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000497478119 333255179 /nfs/dbraw/zinc/25/51/79/333255179.db2.gz XNLVNOUNVPSSLA-UHFFFAOYSA-N 1 1 312.388 3.771 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000497615644 333270025 /nfs/dbraw/zinc/27/00/25/333270025.db2.gz SNFPTDJJABQGEI-UHFFFAOYSA-N 1 1 322.383 3.865 20 30 DHEDMO CCC[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC1CCCCC1 ZINC000497749528 333287044 /nfs/dbraw/zinc/28/70/44/333287044.db2.gz YJHGDZAEQAORFO-UHFFFAOYSA-N 1 1 313.445 3.789 20 30 DHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000319489596 333308449 /nfs/dbraw/zinc/30/84/49/333308449.db2.gz HGGHECJULWPPEL-AWEZNQCLSA-N 1 1 312.335 3.600 20 30 DHEDMO C=CCC(CC=C)C(=O)N1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000364429956 333313894 /nfs/dbraw/zinc/31/38/94/333313894.db2.gz XMVSSYHSZFKDOE-UFYCRDLUSA-N 1 1 324.468 3.516 20 30 DHEDMO C=CC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000111256580 333328366 /nfs/dbraw/zinc/32/83/66/333328366.db2.gz IYSPTJTZCQJLJC-UHFFFAOYSA-N 1 1 321.424 3.636 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1F ZINC000391946098 335136460 /nfs/dbraw/zinc/13/64/60/335136460.db2.gz WIVAQLZRJVBPMT-RCCFBDPRSA-N 1 1 316.420 3.603 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](CC)CC(=C)C ZINC000125966364 333372033 /nfs/dbraw/zinc/37/20/33/333372033.db2.gz HXVGTTUEYDOKJT-HNNXBMFYSA-N 1 1 306.475 3.549 20 30 DHEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000296231922 335142548 /nfs/dbraw/zinc/14/25/48/335142548.db2.gz WPHJHLPFMIMYLO-SFHVURJKSA-N 1 1 314.473 3.617 20 30 DHEDMO C=CCOCC[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000339042598 333506768 /nfs/dbraw/zinc/50/67/68/333506768.db2.gz JPHIYYYMXQAXBF-KRWDZBQOSA-N 1 1 302.805 3.617 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000185793213 335151170 /nfs/dbraw/zinc/15/11/70/335151170.db2.gz QUBDETYXZLAKHH-LNLFQRSKSA-N 1 1 314.473 3.758 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000185793177 335151238 /nfs/dbraw/zinc/15/12/38/335151238.db2.gz QUBDETYXZLAKHH-JENIJYKNSA-N 1 1 314.473 3.758 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000185793195 335151326 /nfs/dbraw/zinc/15/13/26/335151326.db2.gz QUBDETYXZLAKHH-SCTDSRPQSA-N 1 1 314.473 3.758 20 30 DHEDMO CCC[C@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000185865566 335154775 /nfs/dbraw/zinc/15/47/75/335154775.db2.gz BQNXVTGSYHYEKJ-AWEZNQCLSA-N 1 1 305.447 3.603 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)s1 ZINC000414559748 334018095 /nfs/dbraw/zinc/01/80/95/334018095.db2.gz QCXQGHRGVNUIRO-SFHVURJKSA-N 1 1 324.449 3.973 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)s1 ZINC000414559748 334018097 /nfs/dbraw/zinc/01/80/97/334018097.db2.gz QCXQGHRGVNUIRO-SFHVURJKSA-N 1 1 324.449 3.973 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272475518 334035173 /nfs/dbraw/zinc/03/51/73/334035173.db2.gz ALMCXFMCSRQFEA-HNNXBMFYSA-N 1 1 321.424 3.792 20 30 DHEDMO C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272475524 334035215 /nfs/dbraw/zinc/03/52/15/334035215.db2.gz ALMCXFMCSRQFEA-OAHLLOKOSA-N 1 1 321.424 3.792 20 30 DHEDMO C[N@@H+](CCCSCC#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273425266 334046729 /nfs/dbraw/zinc/04/67/29/334046729.db2.gz KOHCZQFCBHAFDT-SJORKVTESA-N 1 1 322.449 3.624 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273467555 334047520 /nfs/dbraw/zinc/04/75/20/334047520.db2.gz INVWRMVQTBTLNT-CRAIPNDOSA-N 1 1 314.360 3.642 20 30 DHEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000273522502 334048345 /nfs/dbraw/zinc/04/83/45/334048345.db2.gz QQZDSEVNOVLVLY-HNNXBMFYSA-N 1 1 310.397 3.563 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000273522502 334048347 /nfs/dbraw/zinc/04/83/47/334048347.db2.gz QQZDSEVNOVLVLY-HNNXBMFYSA-N 1 1 310.397 3.563 20 30 DHEDMO COc1cccc([C@H]2C[N@H+](CCCCC(C)(C)C#N)CCO2)c1 ZINC000277867792 334091600 /nfs/dbraw/zinc/09/16/00/334091600.db2.gz YMBMNEZAEKZMIT-GOSISDBHSA-N 1 1 316.445 3.789 20 30 DHEDMO COc1cccc([C@H]2C[N@@H+](CCCCC(C)(C)C#N)CCO2)c1 ZINC000277867792 334091601 /nfs/dbraw/zinc/09/16/01/334091601.db2.gz YMBMNEZAEKZMIT-GOSISDBHSA-N 1 1 316.445 3.789 20 30 DHEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]([C@@H]4CC[C@H](C#N)C4)C3)nc2c1 ZINC000278761214 334100950 /nfs/dbraw/zinc/10/09/50/334100950.db2.gz XVHKVOGRNDHQHO-ARFHVFGLSA-N 1 1 308.429 3.743 20 30 DHEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+]([C@@H]4CC[C@H](C#N)C4)C3)[nH]c2c1 ZINC000278761214 334100951 /nfs/dbraw/zinc/10/09/51/334100951.db2.gz XVHKVOGRNDHQHO-ARFHVFGLSA-N 1 1 308.429 3.743 20 30 DHEDMO Cc1ccc2nc([C@@H]3CCC[N@H+]([C@@H]4CC[C@H](C#N)C4)C3)[nH]c2c1 ZINC000278761214 334100952 /nfs/dbraw/zinc/10/09/52/334100952.db2.gz XVHKVOGRNDHQHO-ARFHVFGLSA-N 1 1 308.429 3.743 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000278797513 334101252 /nfs/dbraw/zinc/10/12/52/334101252.db2.gz QXPDQFVDIWSTKJ-MTFMMBMASA-N 1 1 311.473 3.569 20 30 DHEDMO N#Cc1cccc(OCCC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278889570 334103027 /nfs/dbraw/zinc/10/30/27/334103027.db2.gz UMIJABGXXGWXFK-AWEZNQCLSA-N 1 1 312.335 3.601 20 30 DHEDMO CSc1ccccc1C[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000280394572 334117142 /nfs/dbraw/zinc/11/71/42/334117142.db2.gz KNAHMLHILUXVMD-UHFFFAOYSA-N 1 1 312.438 3.943 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000286056953 334151008 /nfs/dbraw/zinc/15/10/08/334151008.db2.gz RHWZDGZTOQKBDS-QYZOEREBSA-N 1 1 312.457 3.821 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1 ZINC000286208229 334151958 /nfs/dbraw/zinc/15/19/58/334151958.db2.gz YFQQTVDJYWJUIG-QHAWAJNXSA-N 1 1 318.420 3.563 20 30 DHEDMO COc1ccccc1O[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000286524748 334153592 /nfs/dbraw/zinc/15/35/92/334153592.db2.gz QXLQISDYAVRDJA-MRXNPFEDSA-N 1 1 316.445 3.868 20 30 DHEDMO CCCCOc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)cc1OC ZINC000343581049 335179223 /nfs/dbraw/zinc/17/92/23/335179223.db2.gz KSYYQOUBCZGJAU-AWEZNQCLSA-N 1 1 302.418 3.828 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000289372197 334164635 /nfs/dbraw/zinc/16/46/35/334164635.db2.gz AXTJROVBUGEUGF-MSOLQXFVSA-N 1 1 312.457 3.877 20 30 DHEDMO CC[C@](C)(C#N)C(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000289399982 334164911 /nfs/dbraw/zinc/16/49/11/334164911.db2.gz NCTOZGNXHPTOMO-LJQANCHMSA-N 1 1 313.445 3.927 20 30 DHEDMO CC[N@@H+](CC(C)C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000343591587 335180027 /nfs/dbraw/zinc/18/00/27/335180027.db2.gz CVKRKBWZMKWOLI-GFCCVEGCSA-N 1 1 307.825 3.517 20 30 DHEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290313717 334172379 /nfs/dbraw/zinc/17/23/79/334172379.db2.gz CIFDVVVQQFERRM-INIZCTEOSA-N 1 1 305.491 3.610 20 30 DHEDMO N#CCCOCC[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000292666344 334190679 /nfs/dbraw/zinc/19/06/79/334190679.db2.gz AUTIELYPLBWZPF-HXUWFJFHSA-N 1 1 306.409 3.716 20 30 DHEDMO COc1ccc2[nH]cc(C3=CC[N@H+]([C@@H]4CC[C@H](C#N)C4)CC3)c2c1 ZINC000292787609 334192369 /nfs/dbraw/zinc/19/23/69/334192369.db2.gz LDNNEYRGTVFDGB-GOEBONIOSA-N 1 1 321.424 3.958 20 30 DHEDMO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000296373613 334233164 /nfs/dbraw/zinc/23/31/64/334233164.db2.gz JHSJNEURTCZAPX-BWUHRYBWSA-N 1 1 323.484 3.854 20 30 DHEDMO C[C@H](CCC#N)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000298704515 334250694 /nfs/dbraw/zinc/25/06/94/334250694.db2.gz TXJFEPRZEYCVET-MISYRCLQSA-N 1 1 311.473 3.665 20 30 DHEDMO Cc1ccc(NCc2cccn2Cc2ccccc2C#N)[nH+]c1 ZINC000187693217 334268167 /nfs/dbraw/zinc/26/81/67/334268167.db2.gz XMYTUXICEBKZQH-UHFFFAOYSA-N 1 1 302.381 3.724 20 30 DHEDMO CC(C)[N@H+](CCC#N)Cc1ccc(OCc2ccncc2)cc1 ZINC000535077499 334365185 /nfs/dbraw/zinc/36/51/85/334365185.db2.gz QBCZUUMCZJRDDG-UHFFFAOYSA-N 1 1 309.413 3.785 20 30 DHEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(OCc2ccncc2)cc1 ZINC000535077499 334365186 /nfs/dbraw/zinc/36/51/86/334365186.db2.gz QBCZUUMCZJRDDG-UHFFFAOYSA-N 1 1 309.413 3.785 20 30 DHEDMO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)c2ccc(C)cc2)c1C#N ZINC000535221683 334380611 /nfs/dbraw/zinc/38/06/11/334380611.db2.gz RFHRTKKGBNKFSH-HNNXBMFYSA-N 1 1 322.408 3.846 20 30 DHEDMO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2ccc(C)cc2)c1C#N ZINC000535221683 334380613 /nfs/dbraw/zinc/38/06/13/334380613.db2.gz RFHRTKKGBNKFSH-HNNXBMFYSA-N 1 1 322.408 3.846 20 30 DHEDMO COc1cccc(Cl)c1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000444001103 338466474 /nfs/dbraw/zinc/46/64/74/338466474.db2.gz JTKCTENFHBJEKR-UHFFFAOYSA-N 1 1 300.789 3.819 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)cc1 ZINC000343699803 335189138 /nfs/dbraw/zinc/18/91/38/335189138.db2.gz VNLRDCASFFMWBK-IBGZPJMESA-N 1 1 316.408 3.549 20 30 DHEDMO CC[C@@]1(C)CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000344264850 335234380 /nfs/dbraw/zinc/23/43/80/335234380.db2.gz PPQQHCPHVDDVAC-FQEVSTJZSA-N 1 1 323.440 3.860 20 30 DHEDMO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)CC2(CCCC2)O1 ZINC000190984808 335381633 /nfs/dbraw/zinc/38/16/33/335381633.db2.gz MJDMPWYZTGEQLA-UHFFFAOYSA-N 1 1 302.393 3.621 20 30 DHEDMO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)CC2(CCCC2)O1 ZINC000190984808 335381634 /nfs/dbraw/zinc/38/16/34/335381634.db2.gz MJDMPWYZTGEQLA-UHFFFAOYSA-N 1 1 302.393 3.621 20 30 DHEDMO N#Cc1c(F)ccc(C[NH+]2CCC3(CCOCC3)CC2)c1Cl ZINC000367034524 335588306 /nfs/dbraw/zinc/58/83/06/335588306.db2.gz YGKLVWIMHZTUJK-UHFFFAOYSA-N 1 1 322.811 3.743 20 30 DHEDMO Cc1cc(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2(C)C)cn2cc[nH+]c12 ZINC000329367068 335968515 /nfs/dbraw/zinc/96/85/15/335968515.db2.gz HFBWOWGLXXIRQP-JSGCOSHPSA-N 1 1 313.401 3.872 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000351024883 336005465 /nfs/dbraw/zinc/00/54/65/336005465.db2.gz FTWANJIXMTUGRF-INIZCTEOSA-N 1 1 314.429 3.825 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000351024883 336005466 /nfs/dbraw/zinc/00/54/66/336005466.db2.gz FTWANJIXMTUGRF-INIZCTEOSA-N 1 1 314.429 3.825 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1nc(-c2ccccn2)cs1 ZINC000329900294 336093638 /nfs/dbraw/zinc/09/36/38/336093638.db2.gz NOJFHEAMEFRMNV-TXEJJXNPSA-N 1 1 316.430 3.666 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1nc(-c2ccccn2)cs1 ZINC000329900294 336093639 /nfs/dbraw/zinc/09/36/39/336093639.db2.gz NOJFHEAMEFRMNV-TXEJJXNPSA-N 1 1 316.430 3.666 20 30 DHEDMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000329966227 336100867 /nfs/dbraw/zinc/10/08/67/336100867.db2.gz UUICSKKEHOVZDY-QOTRURMSSA-N 1 1 321.465 3.546 20 30 DHEDMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000329966227 336100868 /nfs/dbraw/zinc/10/08/68/336100868.db2.gz UUICSKKEHOVZDY-QOTRURMSSA-N 1 1 321.465 3.546 20 30 DHEDMO Cc1[nH]nc(-c2ccccc2)c1NC(=O)C[NH+]1CCC(C)CC1 ZINC000330128941 336116109 /nfs/dbraw/zinc/11/61/09/336116109.db2.gz NYEBBHZBIXCRTD-UHFFFAOYSA-N 1 1 312.417 3.705 20 30 DHEDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1coc(C2CCCCC2)n1 ZINC000330140196 336117514 /nfs/dbraw/zinc/11/75/14/336117514.db2.gz PIPHMKRYOGQBEQ-ZBFHGGJFSA-N 1 1 317.433 3.654 20 30 DHEDMO CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1 ZINC000330225807 336126855 /nfs/dbraw/zinc/12/68/55/336126855.db2.gz OIWUJYDNSOPRMY-OAHLLOKOSA-N 1 1 302.418 3.905 20 30 DHEDMO CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2CCC[N@H+]2C2CC2)c1 ZINC000330225807 336126857 /nfs/dbraw/zinc/12/68/57/336126857.db2.gz OIWUJYDNSOPRMY-OAHLLOKOSA-N 1 1 302.418 3.905 20 30 DHEDMO CC(C)(C)C1CCC(O)(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330233206 336127704 /nfs/dbraw/zinc/12/77/04/336127704.db2.gz RZQBJBZLYLMSOY-NLGTXKQRSA-N 1 1 322.493 3.537 20 30 DHEDMO COc1c2ccccc2oc1CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000330238207 336128396 /nfs/dbraw/zinc/12/83/96/336128396.db2.gz VDFWXVNMAJYMKU-CQSZACIVSA-N 1 1 314.385 3.525 20 30 DHEDMO Cc1c[nH]c(-c2ccccc2NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000330245225 336129234 /nfs/dbraw/zinc/12/92/34/336129234.db2.gz XPOSYFUUHADYMQ-OKILXGFUSA-N 1 1 312.417 3.846 20 30 DHEDMO CC[C@H]1CCCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000331706364 336145219 /nfs/dbraw/zinc/14/52/19/336145219.db2.gz XDCJZLLBPFFKDL-AWEZNQCLSA-N 1 1 305.447 3.603 20 30 DHEDMO C[C@@H](C1CCCCC1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000332576223 336175030 /nfs/dbraw/zinc/17/50/30/336175030.db2.gz YSUBOVXWYSYNNX-ZDUSSCGKSA-N 1 1 319.474 3.849 20 30 DHEDMO CC[N@@H+](Cc1ccc(OCc2cccnc2)cc1)C[C@@H](C)C#N ZINC000352102395 336194964 /nfs/dbraw/zinc/19/49/64/336194964.db2.gz MZPIALCSYIBLDH-INIZCTEOSA-N 1 1 309.413 3.642 20 30 DHEDMO CC[N@H+](Cc1ccc(OCc2cccnc2)cc1)C[C@@H](C)C#N ZINC000352102395 336194965 /nfs/dbraw/zinc/19/49/65/336194965.db2.gz MZPIALCSYIBLDH-INIZCTEOSA-N 1 1 309.413 3.642 20 30 DHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000333561796 336205607 /nfs/dbraw/zinc/20/56/07/336205607.db2.gz RSBUHZILLZJACH-UMVBOHGHSA-N 1 1 317.458 3.601 20 30 DHEDMO CC[C@]1(C)CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000352611818 336227034 /nfs/dbraw/zinc/22/70/34/336227034.db2.gz KGQRFMZSSHUVNZ-LJQANCHMSA-N 1 1 308.429 3.581 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000352618681 336227186 /nfs/dbraw/zinc/22/71/86/336227186.db2.gz SKZVDGRMVNFTDJ-CVEARBPZSA-N 1 1 322.456 3.827 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000352618682 336227220 /nfs/dbraw/zinc/22/72/20/336227220.db2.gz SKZVDGRMVNFTDJ-HOTGVXAUSA-N 1 1 322.456 3.827 20 30 DHEDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000352655844 336229052 /nfs/dbraw/zinc/22/90/52/336229052.db2.gz WYHZMANBIGMFHX-MRXNPFEDSA-N 1 1 302.418 3.752 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(C(=O)OC)sc1C ZINC000352701585 336231241 /nfs/dbraw/zinc/23/12/41/336231241.db2.gz KXGHDUAOALVLPT-UHFFFAOYSA-N 1 1 319.426 3.667 20 30 DHEDMO C[N@@H+](Cc1ccc(Br)cc1)Cc1ccc(C#N)cc1 ZINC000042268118 336238268 /nfs/dbraw/zinc/23/82/68/336238268.db2.gz NAQQIDZEVBVEGS-UHFFFAOYSA-N 1 1 315.214 3.953 20 30 DHEDMO C[C@H]1CCC[N@@H+](CCCCNc2c(F)cc(C#N)cc2F)C1 ZINC000301127824 336291337 /nfs/dbraw/zinc/29/13/37/336291337.db2.gz VMIRHMFXYDCPLA-ZDUSSCGKSA-N 1 1 307.388 3.760 20 30 DHEDMO N#Cc1ccc(Cl)cc1N1CC[NH+](Cc2cccs2)CC1 ZINC000301165769 336292883 /nfs/dbraw/zinc/29/28/83/336292883.db2.gz DJTQGKLTQANAMG-UHFFFAOYSA-N 1 1 317.845 3.595 20 30 DHEDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2cc(Cl)ccc2C#N)C[C@H](C)O1 ZINC000301288413 336298844 /nfs/dbraw/zinc/29/88/44/336298844.db2.gz RYRDBWARQOCMBN-BETUJISGSA-N 1 1 321.852 3.511 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(CNc2c(Cl)cccc2C#N)cn1 ZINC000301357937 336302268 /nfs/dbraw/zinc/30/22/68/336302268.db2.gz LEJQWAWYTNTOTK-UHFFFAOYSA-N 1 1 323.787 3.713 20 30 DHEDMO CC[C@@H](C#N)Oc1cc(CNc2cc(C)cc[nH+]2)ccc1OC ZINC000301617883 336318520 /nfs/dbraw/zinc/31/85/20/336318520.db2.gz COELNNURPDRXMT-HNNXBMFYSA-N 1 1 311.385 3.692 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2cccc(C#N)n2)cc1 ZINC000301740062 336326791 /nfs/dbraw/zinc/32/67/91/336326791.db2.gz KHRGBIMEENJBRQ-CYBMUJFWSA-N 1 1 303.369 3.621 20 30 DHEDMO CCC[N@H+]1CC[C@@H](CNc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000301995297 336342118 /nfs/dbraw/zinc/34/21/18/336342118.db2.gz SGRFEMVLRCTTAN-LBPRGKRZSA-N 1 1 311.351 3.721 20 30 DHEDMO CC(=O)c1ccc(C#N)c(NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000302077170 336347252 /nfs/dbraw/zinc/34/72/52/336347252.db2.gz AGPOUHUYVOWBSU-HNNXBMFYSA-N 1 1 321.424 3.693 20 30 DHEDMO CC(=O)c1ccc(C#N)cc1NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000302098432 336348355 /nfs/dbraw/zinc/34/83/55/336348355.db2.gz KFMQFAIHUJKBCI-OAHLLOKOSA-N 1 1 313.445 3.685 20 30 DHEDMO CC(=O)c1ccc(C#N)c(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000302102090 336348568 /nfs/dbraw/zinc/34/85/68/336348568.db2.gz LSBNFWSHQUURLM-GASCZTMLSA-N 1 1 313.445 3.541 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000302203052 336353809 /nfs/dbraw/zinc/35/38/09/336353809.db2.gz IMCKFUWLOUVZOG-AWEZNQCLSA-N 1 1 316.405 3.533 20 30 DHEDMO C[C@H]1C[C@@H](Nc2c(C#N)cccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000302898412 336373763 /nfs/dbraw/zinc/37/37/63/336373763.db2.gz RTCGRLZDLMZRRC-HNAYVOBHSA-N 1 1 316.408 3.505 20 30 DHEDMO Cn1c2ccc(Nc3c(C#N)cccc3C#N)cc2[nH+]c1C1CC1 ZINC000302909930 336374120 /nfs/dbraw/zinc/37/41/20/336374120.db2.gz YVDMBIMYTKCXGM-UHFFFAOYSA-N 1 1 313.364 3.938 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(OC)cc(OC)c1 ZINC000352930248 336377846 /nfs/dbraw/zinc/37/78/46/336377846.db2.gz JLQXLQVPCZJNHU-UHFFFAOYSA-N 1 1 301.386 3.528 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(OC)c(OC)c1 ZINC000352998520 336381615 /nfs/dbraw/zinc/38/16/15/336381615.db2.gz PPPQCJXUSZAWGK-UHFFFAOYSA-N 1 1 301.386 3.528 20 30 DHEDMO COc1cc(C[NH2+]Cc2cccc(Cl)c2F)ccc1C#N ZINC000353246364 336407975 /nfs/dbraw/zinc/40/79/75/336407975.db2.gz GSMZAFXWWYDZIS-UHFFFAOYSA-N 1 1 304.752 3.649 20 30 DHEDMO Cc1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cn2cc[nH+]c12 ZINC000355397879 336507232 /nfs/dbraw/zinc/50/72/32/336507232.db2.gz AIOMQGNHXFYVFB-UHFFFAOYSA-N 1 1 318.380 3.696 20 30 DHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3cscc3C#N)cc2)c1C ZINC000358148581 336613249 /nfs/dbraw/zinc/61/32/49/336613249.db2.gz DQAVEXSARILOLS-UHFFFAOYSA-N 1 1 322.393 3.675 20 30 DHEDMO C=CCCCC(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000359146997 336660105 /nfs/dbraw/zinc/66/01/05/336660105.db2.gz RTMWUNUOYHOMFF-HOTGVXAUSA-N 1 1 316.445 3.591 20 30 DHEDMO CCCCOc1ccc(C[NH2+]CC2(C#N)CCC2)cc1OC ZINC000418140282 336896301 /nfs/dbraw/zinc/89/63/01/336896301.db2.gz JEBJKJSILKVUOD-UHFFFAOYSA-N 1 1 302.418 3.658 20 30 DHEDMO N#Cc1cccc([C@@H]2CN(c3cc[nH+]c4ccsc43)CCO2)c1 ZINC000371287040 336899412 /nfs/dbraw/zinc/89/94/12/336899412.db2.gz KJVHTIUAAFXPOL-KRWDZBQOSA-N 1 1 321.405 3.746 20 30 DHEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000375110735 337003531 /nfs/dbraw/zinc/00/35/31/337003531.db2.gz MTPYBMBMXPTNPO-UKRRQHHQSA-N 1 1 321.346 3.938 20 30 DHEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000375110735 337003532 /nfs/dbraw/zinc/00/35/32/337003532.db2.gz MTPYBMBMXPTNPO-UKRRQHHQSA-N 1 1 321.346 3.938 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2/C=C/c2cccs2)cc1 ZINC000375150917 337004522 /nfs/dbraw/zinc/00/45/22/337004522.db2.gz HSRDPWXRIUPQGL-BBSZANLASA-N 1 1 324.449 3.831 20 30 DHEDMO N#CCSCCC[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000375219894 337006001 /nfs/dbraw/zinc/00/60/01/337006001.db2.gz HTVSJSWETRXFET-UHFFFAOYSA-N 1 1 308.397 3.701 20 30 DHEDMO Cc1csc2c1C[N@@H+](CCCC1(C#N)CCOCC1)CC2 ZINC000375610915 337014478 /nfs/dbraw/zinc/01/44/78/337014478.db2.gz HOQJQHQCAHVNBQ-UHFFFAOYSA-N 1 1 304.459 3.515 20 30 DHEDMO C[N@H+]1CC[C@H](Nc2cccc(OCCCC#N)c2)[C@H]2CCC[C@@H]21 ZINC000375850128 337021416 /nfs/dbraw/zinc/02/14/16/337021416.db2.gz IQTAUKVHAUPTQQ-QYZOEREBSA-N 1 1 313.445 3.654 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@]3(CCCCO3)C2)cc1 ZINC000376116947 337027575 /nfs/dbraw/zinc/02/75/75/337027575.db2.gz RIDOMXCWXHZPIM-QFBILLFUSA-N 1 1 314.429 3.513 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2cc(C#N)ccn2)cc1 ZINC000376448254 337033635 /nfs/dbraw/zinc/03/36/35/337033635.db2.gz IXAWTVSEPPBCHO-ZDUSSCGKSA-N 1 1 303.369 3.621 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC2(CCC2)C1 ZINC000123098787 337035475 /nfs/dbraw/zinc/03/54/75/337035475.db2.gz OWISVNBTQLTCKW-HNNXBMFYSA-N 1 1 318.486 3.527 20 30 DHEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000376551381 337036559 /nfs/dbraw/zinc/03/65/59/337036559.db2.gz HYCBJHVOARMFJI-AEFFLSMTSA-N 1 1 313.445 3.565 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000377639768 337057111 /nfs/dbraw/zinc/05/71/11/337057111.db2.gz FTRBZBXKIRKRNY-RDJZCZTQSA-N 1 1 320.864 3.678 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000377688776 337058546 /nfs/dbraw/zinc/05/85/46/337058546.db2.gz CYNPWBQUPHCKGN-DNVCBOLYSA-N 1 1 307.397 3.710 20 30 DHEDMO CC(C)[N@@H+]1CCc2nc(/C=C/C(=O)c3ccccc3)sc2C1 ZINC000378641889 337077471 /nfs/dbraw/zinc/07/74/71/337077471.db2.gz LWVDLSVTYROXPH-CMDGGOBGSA-N 1 1 312.438 3.806 20 30 DHEDMO CC(C)[N@H+]1CCc2nc(/C=C/C(=O)c3ccccc3)sc2C1 ZINC000378641889 337077472 /nfs/dbraw/zinc/07/74/72/337077472.db2.gz LWVDLSVTYROXPH-CMDGGOBGSA-N 1 1 312.438 3.806 20 30 DHEDMO C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000582459522 337079503 /nfs/dbraw/zinc/07/95/03/337079503.db2.gz RLSZUJGSPLJFEA-KRWDZBQOSA-N 1 1 317.477 3.503 20 30 DHEDMO Cc1cnc([C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)s1 ZINC000360077755 337085175 /nfs/dbraw/zinc/08/51/75/337085175.db2.gz UGAHQSPQGXEENF-LBPRGKRZSA-N 1 1 303.456 3.764 20 30 DHEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c(F)c1 ZINC000173836083 337138528 /nfs/dbraw/zinc/13/85/28/337138528.db2.gz RTXFIELRFUXZJV-KRWDZBQOSA-N 1 1 302.393 3.621 20 30 DHEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176129497 337150297 /nfs/dbraw/zinc/15/02/97/337150297.db2.gz DGHOPYOZSOBINT-AEFFLSMTSA-N 1 1 300.446 3.512 20 30 DHEDMO CC[N@@H+](CCCCn1ccnc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000179241000 337168335 /nfs/dbraw/zinc/16/83/35/337168335.db2.gz YNELECKMTFVEQZ-INIZCTEOSA-N 1 1 310.445 3.927 20 30 DHEDMO C=CCc1cc(C[N@H+](C)Cc2cnc(C)s2)cc(OC)c1O ZINC000179381859 337168657 /nfs/dbraw/zinc/16/86/57/337168657.db2.gz BARJDFWHLJJEDE-UHFFFAOYSA-N 1 1 318.442 3.526 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)Cc2cnc(C)s2)cc(OC)c1O ZINC000179381859 337168658 /nfs/dbraw/zinc/16/86/58/337168658.db2.gz BARJDFWHLJJEDE-UHFFFAOYSA-N 1 1 318.442 3.526 20 30 DHEDMO C[C@@H]1c2cccn2CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000179565383 337170247 /nfs/dbraw/zinc/17/02/47/337170247.db2.gz WAEBEBLIBJWPFK-MRXNPFEDSA-N 1 1 309.413 3.747 20 30 DHEDMO C[C@@H]1c2cccn2CC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000179565383 337170248 /nfs/dbraw/zinc/17/02/48/337170248.db2.gz WAEBEBLIBJWPFK-MRXNPFEDSA-N 1 1 309.413 3.747 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180001049 337173068 /nfs/dbraw/zinc/17/30/68/337173068.db2.gz ASIRETUDNBYVMP-OAHLLOKOSA-N 1 1 308.429 3.581 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000180609701 337176703 /nfs/dbraw/zinc/17/67/03/337176703.db2.gz UJORQVZNALTVQS-APWZRJJASA-N 1 1 311.429 3.531 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000181043396 337179443 /nfs/dbraw/zinc/17/94/43/337179443.db2.gz APRPCNBVEJIHBP-UHFFFAOYSA-N 1 1 318.424 3.942 20 30 DHEDMO C=C(C)C[N@@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000181326143 337181336 /nfs/dbraw/zinc/18/13/36/337181336.db2.gz ZHXXZPGKNUCNEU-UHFFFAOYSA-N 1 1 322.206 3.507 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1nnc(-c2ccccc2Br)o1 ZINC000181326143 337181337 /nfs/dbraw/zinc/18/13/37/337181337.db2.gz ZHXXZPGKNUCNEU-UHFFFAOYSA-N 1 1 322.206 3.507 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC3(CCC3)C2)c(Br)c1 ZINC000181146254 337182040 /nfs/dbraw/zinc/18/20/40/337182040.db2.gz BYAZFNWWWMGUSR-UHFFFAOYSA-N 1 1 305.219 3.697 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000185268140 337203878 /nfs/dbraw/zinc/20/38/78/337203878.db2.gz KFZSGAQAQKFHAQ-CYBMUJFWSA-N 1 1 315.392 3.538 20 30 DHEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000583136834 337243523 /nfs/dbraw/zinc/24/35/23/337243523.db2.gz UZBIGKYCYIZCIB-WBVHZDCISA-N 1 1 316.445 3.846 20 30 DHEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1ccc(Cl)cc1C#N)C2 ZINC000187105642 337262655 /nfs/dbraw/zinc/26/26/55/337262655.db2.gz JNJJABYGLXGSAL-ZWKOTPCHSA-N 1 1 317.864 3.659 20 30 DHEDMO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000191105593 337294031 /nfs/dbraw/zinc/29/40/31/337294031.db2.gz CMBNVCNABATQNX-JKSUJKDBSA-N 1 1 318.461 3.662 20 30 DHEDMO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000191105593 337294032 /nfs/dbraw/zinc/29/40/32/337294032.db2.gz CMBNVCNABATQNX-JKSUJKDBSA-N 1 1 318.461 3.662 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(N(C)CC)nc1)Cc1cccc(C#N)c1 ZINC000191274421 337295330 /nfs/dbraw/zinc/29/53/30/337295330.db2.gz MAURRYIXUJYNRR-UHFFFAOYSA-N 1 1 320.440 3.598 20 30 DHEDMO C=CC[N@H+](Cc1ccc(N(C)CC)nc1)Cc1cccc(C#N)c1 ZINC000191274421 337295331 /nfs/dbraw/zinc/29/53/31/337295331.db2.gz MAURRYIXUJYNRR-UHFFFAOYSA-N 1 1 320.440 3.598 20 30 DHEDMO C[C@H]1SCC[N@@H+](Cc2cc(C#N)n(C)c2)[C@H]1c1ccccc1 ZINC000191384102 337296450 /nfs/dbraw/zinc/29/64/50/337296450.db2.gz JRTWUYWRICAFCD-RDTXWAMCSA-N 1 1 311.454 3.575 20 30 DHEDMO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000192151808 337303372 /nfs/dbraw/zinc/30/33/72/337303372.db2.gz JJTYCRPPNLDIGB-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000399146787 337314050 /nfs/dbraw/zinc/31/40/50/337314050.db2.gz XHIUMGJAPQMOSF-MRXNPFEDSA-N 1 1 308.425 3.824 20 30 DHEDMO C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(CCC#N)CC1 ZINC000583320041 337315175 /nfs/dbraw/zinc/31/51/75/337315175.db2.gz YEDMXYGOSXUNRH-OAHLLOKOSA-N 1 1 324.428 3.737 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000583720356 337317659 /nfs/dbraw/zinc/31/76/59/337317659.db2.gz FIXRIGLWFDROCI-GOSISDBHSA-N 1 1 311.429 3.928 20 30 DHEDMO Cc1cc(F)ccc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000584553507 337360608 /nfs/dbraw/zinc/36/06/08/337360608.db2.gz UYBDVFKPCRIYGA-UHFFFAOYSA-N 1 1 312.388 3.654 20 30 DHEDMO C[N@H+](Cc1cc(-c2ccccc2)no1)Cc1cccc(C#N)c1 ZINC000026329112 337387161 /nfs/dbraw/zinc/38/71/61/337387161.db2.gz LOQOFLJNIGEZQZ-UHFFFAOYSA-N 1 1 303.365 3.845 20 30 DHEDMO C[N@@H+](Cc1cc(-c2ccccc2)no1)Cc1cccc(C#N)c1 ZINC000026329112 337387162 /nfs/dbraw/zinc/38/71/62/337387162.db2.gz LOQOFLJNIGEZQZ-UHFFFAOYSA-N 1 1 303.365 3.845 20 30 DHEDMO CCc1noc(C)c1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000119524181 337394826 /nfs/dbraw/zinc/39/48/26/337394826.db2.gz ASYOUSQOILYZOS-LPHOPBHVSA-N 1 1 309.413 3.817 20 30 DHEDMO CCc1noc(C)c1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000119524181 337394827 /nfs/dbraw/zinc/39/48/27/337394827.db2.gz ASYOUSQOILYZOS-LPHOPBHVSA-N 1 1 309.413 3.817 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]Cc1nn(CC)c2ccccc12 ZINC000274413985 337660020 /nfs/dbraw/zinc/66/00/20/337660020.db2.gz IXAVHIJBENYIRZ-UHFFFAOYSA-N 1 1 321.424 3.911 20 30 DHEDMO N#Cc1ccc(OCC[N@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000084137587 338000281 /nfs/dbraw/zinc/00/02/81/338000281.db2.gz HTXRPNSNKKLWOC-UHFFFAOYSA-N 1 1 312.335 3.601 20 30 DHEDMO C=CCCC[N@@H+](C)CC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000085820598 338011625 /nfs/dbraw/zinc/01/16/25/338011625.db2.gz OGGNAOURLGDPLT-UHFFFAOYSA-N 1 1 317.458 3.631 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000085820598 338011626 /nfs/dbraw/zinc/01/16/26/338011626.db2.gz OGGNAOURLGDPLT-UHFFFAOYSA-N 1 1 317.458 3.631 20 30 DHEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H](CCO)c1ccccc1 ZINC000426450944 338032375 /nfs/dbraw/zinc/03/23/75/338032375.db2.gz OWXINZOPBSWZOE-IBGZPJMESA-N 1 1 313.828 3.747 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2C[C@H](C)CCC[C@H]2C)c(C#N)c1C ZINC000426471871 338033186 /nfs/dbraw/zinc/03/31/86/338033186.db2.gz XKSQWHCLZBTLQM-VXGBXAGGSA-N 1 1 319.474 3.686 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1SC ZINC000426556425 338034597 /nfs/dbraw/zinc/03/45/97/338034597.db2.gz BDNZVMIBXHDJPK-AWEZNQCLSA-N 1 1 307.459 3.966 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428254174 338044523 /nfs/dbraw/zinc/04/45/23/338044523.db2.gz UFFHDZWSQZILIY-CQSZACIVSA-N 1 1 312.388 3.769 20 30 DHEDMO Cc1cnc([C@@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000428298647 338046270 /nfs/dbraw/zinc/04/62/70/338046270.db2.gz VGQPWFSNSDCIIW-OAHLLOKOSA-N 1 1 304.397 3.507 20 30 DHEDMO Cc1cnc([C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000428298647 338046271 /nfs/dbraw/zinc/04/62/71/338046271.db2.gz VGQPWFSNSDCIIW-OAHLLOKOSA-N 1 1 304.397 3.507 20 30 DHEDMO C=CCN(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000428789250 338061096 /nfs/dbraw/zinc/06/10/96/338061096.db2.gz YGJNDUBRXOODBO-OAQYLSRUSA-N 1 1 321.468 3.734 20 30 DHEDMO CC(C)(CO)[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428982814 338067568 /nfs/dbraw/zinc/06/75/68/338067568.db2.gz CLWUWJYAFLWWSF-SFHVURJKSA-N 1 1 312.388 3.547 20 30 DHEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)[C@H]1OCCc2sccc21 ZINC000429145902 338071809 /nfs/dbraw/zinc/07/18/09/338071809.db2.gz VYJPELYOWMPUBX-PIGZYNQJSA-N 1 1 316.401 3.551 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429229438 338073927 /nfs/dbraw/zinc/07/39/27/338073927.db2.gz CRCVULREFKMTQQ-JKSUJKDBSA-N 1 1 323.415 3.969 20 30 DHEDMO C[C@H]1CC[C@@H]([N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000429560454 338084110 /nfs/dbraw/zinc/08/41/10/338084110.db2.gz NJEKHSWIWIDYHT-JKSUJKDBSA-N 1 1 323.440 3.858 20 30 DHEDMO CCCc1cccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000430185367 338100016 /nfs/dbraw/zinc/10/00/16/338100016.db2.gz HFRVDYKLQDURRJ-IBGZPJMESA-N 1 1 321.424 3.559 20 30 DHEDMO C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430183337 338100075 /nfs/dbraw/zinc/10/00/75/338100075.db2.gz AKANXRMBVXRALA-KZIRBZLESA-N 1 1 319.408 3.510 20 30 DHEDMO CC1=C[C@@H](C)C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000430260939 338103439 /nfs/dbraw/zinc/10/34/39/338103439.db2.gz HYLPMQJRFYMECQ-OAHLLOKOSA-N 1 1 321.424 3.636 20 30 DHEDMO CC1=C[C@@H](C)C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000430260939 338103440 /nfs/dbraw/zinc/10/34/40/338103440.db2.gz HYLPMQJRFYMECQ-OAHLLOKOSA-N 1 1 321.424 3.636 20 30 DHEDMO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)CC(C)(C)C#N ZINC000433303025 338190477 /nfs/dbraw/zinc/19/04/77/338190477.db2.gz JWOQALLMSKXGFV-UHFFFAOYSA-N 1 1 300.324 3.566 20 30 DHEDMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)CC(C)(C)C#N ZINC000433303025 338190478 /nfs/dbraw/zinc/19/04/78/338190478.db2.gz JWOQALLMSKXGFV-UHFFFAOYSA-N 1 1 300.324 3.566 20 30 DHEDMO C=CC[N@H+](C)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000154791986 338252788 /nfs/dbraw/zinc/25/27/88/338252788.db2.gz LGNPDNYZSDWUSR-UHFFFAOYSA-N 1 1 303.427 3.954 20 30 DHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2c(C#N)cccc2C#N)C1 ZINC000436317714 338268956 /nfs/dbraw/zinc/26/89/56/338268956.db2.gz NFHYXSKRFZUKBR-BEFAXECRSA-N 1 1 316.408 3.677 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Br)s1 ZINC000436409041 338271335 /nfs/dbraw/zinc/27/13/35/338271335.db2.gz IDEBEQPWQRWVMO-QMMMGPOBSA-N 1 1 311.204 3.826 20 30 DHEDMO Cc1occc1C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437401189 338309008 /nfs/dbraw/zinc/30/90/08/338309008.db2.gz VONPYNYBTCPSOD-UHFFFAOYSA-N 1 1 306.312 3.693 20 30 DHEDMO Cc1occc1C[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437401189 338309009 /nfs/dbraw/zinc/30/90/09/338309009.db2.gz VONPYNYBTCPSOD-UHFFFAOYSA-N 1 1 306.312 3.693 20 30 DHEDMO C[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000437571058 338313804 /nfs/dbraw/zinc/31/38/04/338313804.db2.gz RWOAXOBKRMSKEE-OAQYLSRUSA-N 1 1 322.427 3.778 20 30 DHEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cn1 ZINC000437577344 338314088 /nfs/dbraw/zinc/31/40/88/338314088.db2.gz JVBFYVOTFVFFQN-UHFFFAOYSA-N 1 1 309.413 3.620 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000437849363 338323259 /nfs/dbraw/zinc/32/32/59/338323259.db2.gz GCVOFULZAPKVRI-CRAIPNDOSA-N 1 1 306.409 3.945 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000437870304 338323882 /nfs/dbraw/zinc/32/38/82/338323882.db2.gz UFEGQBULIMSDSW-GOSISDBHSA-N 1 1 324.449 3.857 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000437870304 338323883 /nfs/dbraw/zinc/32/38/83/338323883.db2.gz UFEGQBULIMSDSW-GOSISDBHSA-N 1 1 324.449 3.857 20 30 DHEDMO Fc1ccc(C#CC[N@@H+](C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000438188330 338335783 /nfs/dbraw/zinc/33/57/83/338335783.db2.gz JBKGZEFQTJEJJI-LJQANCHMSA-N 1 1 301.405 3.601 20 30 DHEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000438346371 338340528 /nfs/dbraw/zinc/34/05/28/338340528.db2.gz KSXORAUFRXBHSV-GOSISDBHSA-N 1 1 322.456 3.827 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)ccc1OC ZINC000438379088 338342215 /nfs/dbraw/zinc/34/22/15/338342215.db2.gz VEXMZKTWHOAXJK-HRCADAONSA-N 1 1 319.445 3.648 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)ccc1OC ZINC000438379088 338342216 /nfs/dbraw/zinc/34/22/16/338342216.db2.gz VEXMZKTWHOAXJK-HRCADAONSA-N 1 1 319.445 3.648 20 30 DHEDMO Fc1ccc(C#CC[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000438473226 338345048 /nfs/dbraw/zinc/34/50/48/338345048.db2.gz CUQPSMWSTJFKMY-OAQYLSRUSA-N 1 1 323.411 3.511 20 30 DHEDMO Cc1oc(NC(=O)C[N@H+](CC(C)C)CC(C)(C)C)c(C#N)c1C ZINC000438589829 338349290 /nfs/dbraw/zinc/34/92/90/338349290.db2.gz QTGQRFHLFNITJE-UHFFFAOYSA-N 1 1 319.449 3.711 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c(Cl)c1 ZINC000439419972 338368883 /nfs/dbraw/zinc/36/88/83/338368883.db2.gz IJTSCTJGMORZKI-INIZCTEOSA-N 1 1 304.821 3.603 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c(Cl)c1 ZINC000439419972 338368884 /nfs/dbraw/zinc/36/88/84/338368884.db2.gz IJTSCTJGMORZKI-INIZCTEOSA-N 1 1 304.821 3.603 20 30 DHEDMO C[N@H+](CC#Cc1ccc(F)cc1)CCCOCc1ccccc1 ZINC000439482660 338371204 /nfs/dbraw/zinc/37/12/04/338371204.db2.gz XMBAUYOWLOKVHO-UHFFFAOYSA-N 1 1 311.400 3.716 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000440057390 338382959 /nfs/dbraw/zinc/38/29/59/338382959.db2.gz ANXLSHOLUQICFK-FUHIMQAGSA-N 1 1 314.448 3.514 20 30 DHEDMO COc1c2ccccc2oc1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000440622369 338392736 /nfs/dbraw/zinc/39/27/36/338392736.db2.gz SYHLPYQBAIQQON-UHFFFAOYSA-N 1 1 322.364 3.611 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2nccn2CC)cc1Cl ZINC000449563030 338638136 /nfs/dbraw/zinc/63/81/36/338638136.db2.gz QLKVUVXQQHCVPC-ZDUSSCGKSA-N 1 1 319.836 3.972 20 30 DHEDMO FC(F)(F)c1ccc(C#CCn2c[nH+]c3c2CCCC3)cc1 ZINC000451180390 338724759 /nfs/dbraw/zinc/72/47/59/338724759.db2.gz GIFDQFZUOIXDMB-UHFFFAOYSA-N 1 1 304.315 3.832 20 30 DHEDMO C=C(C)CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000459000195 339010676 /nfs/dbraw/zinc/01/06/76/339010676.db2.gz MHGNCJQLGDLOAB-QGZVFWFLSA-N 1 1 321.509 3.639 20 30 DHEDMO C=C(CC)CNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000459082601 339013192 /nfs/dbraw/zinc/01/31/92/339013192.db2.gz SBQSCDYEEJUFNG-KRWDZBQOSA-N 1 1 321.509 3.639 20 30 DHEDMO C=C(CC)CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000459082603 339013217 /nfs/dbraw/zinc/01/32/17/339013217.db2.gz SBQSCDYEEJUFNG-QGZVFWFLSA-N 1 1 321.509 3.639 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(C2CC2)nc1 ZINC000459295764 339019826 /nfs/dbraw/zinc/01/98/26/339019826.db2.gz GXVYULOSGUSVNH-UHFFFAOYSA-N 1 1 306.413 3.638 20 30 DHEDMO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)CC#N)[C@H]1Sc1ccccc1 ZINC000459475498 339031440 /nfs/dbraw/zinc/03/14/40/339031440.db2.gz GKDVOEXAJXOFJC-QMCVQRASSA-N 1 1 304.459 3.607 20 30 DHEDMO CCOC[C@H]1CCCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000459681454 339042880 /nfs/dbraw/zinc/04/28/80/339042880.db2.gz XCZMVWHFGAWTQM-GOSISDBHSA-N 1 1 316.445 3.760 20 30 DHEDMO C=CCOc1cccc(CN[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000462736016 339085711 /nfs/dbraw/zinc/08/57/11/339085711.db2.gz CSOPOOJQLZCKRK-IBGZPJMESA-N 1 1 314.473 3.606 20 30 DHEDMO C=CCOc1cccc(C[NH2+][C@H]2CCN(CC3CCCC3)C2)c1 ZINC000462736016 339085712 /nfs/dbraw/zinc/08/57/12/339085712.db2.gz CSOPOOJQLZCKRK-IBGZPJMESA-N 1 1 314.473 3.606 20 30 DHEDMO C=CCC[C@H](CCC)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000462855601 339094462 /nfs/dbraw/zinc/09/44/62/339094462.db2.gz NZSUXPWOXRREFR-HKUYNNGSSA-N 1 1 302.462 3.800 20 30 DHEDMO N#Cc1cc(Cl)ccc1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462949022 339098804 /nfs/dbraw/zinc/09/88/04/339098804.db2.gz XTUZXZGJHUNSOV-MRXNPFEDSA-N 1 1 303.837 3.888 20 30 DHEDMO C=C(CC)C[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000464576823 339145801 /nfs/dbraw/zinc/14/58/01/339145801.db2.gz MUVRJNYXFFXRHN-UHFFFAOYSA-N 1 1 303.446 3.903 20 30 DHEDMO CCC[C@H]1[C@H](C)CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000464731355 339150339 /nfs/dbraw/zinc/15/03/39/339150339.db2.gz FGJHQBCNTVFNAP-QAPCUYQASA-N 1 1 313.445 3.787 20 30 DHEDMO C=CCNC(=O)C[N@H+](C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000464776964 339152893 /nfs/dbraw/zinc/15/28/93/339152893.db2.gz VAKQSVTZOVLHTO-INIZCTEOSA-N 1 1 308.425 3.649 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOc1cccc(F)c1 ZINC000464821568 339155350 /nfs/dbraw/zinc/15/53/50/339155350.db2.gz IAANDQVAMSLMGQ-UXHICEINSA-N 1 1 324.399 3.976 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOc1cccc(F)c1 ZINC000464821568 339155351 /nfs/dbraw/zinc/15/53/51/339155351.db2.gz IAANDQVAMSLMGQ-UXHICEINSA-N 1 1 324.399 3.976 20 30 DHEDMO CC#CCCCC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000466806656 339217368 /nfs/dbraw/zinc/21/73/68/339217368.db2.gz MXDVMWBHPANQDR-UHFFFAOYSA-N 1 1 319.474 3.651 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000467289840 339230050 /nfs/dbraw/zinc/23/00/50/339230050.db2.gz FJJBTTCWGKSLMM-IBGZPJMESA-N 1 1 300.446 3.542 20 30 DHEDMO C=CCC[N@@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000467299249 339230449 /nfs/dbraw/zinc/23/04/49/339230449.db2.gz IQDYPVOEOBIBCH-UHFFFAOYSA-N 1 1 311.307 3.763 20 30 DHEDMO C=CCC[N@H+](C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000467299249 339230450 /nfs/dbraw/zinc/23/04/50/339230450.db2.gz IQDYPVOEOBIBCH-UHFFFAOYSA-N 1 1 311.307 3.763 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCCO[C@H](CC)C2)ccc1OC ZINC000467568628 339243125 /nfs/dbraw/zinc/24/31/25/339243125.db2.gz VRFHSKRHKXFXJX-QGZVFWFLSA-N 1 1 319.445 3.651 20 30 DHEDMO C=CC[C@H](CC)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000467696349 339244536 /nfs/dbraw/zinc/24/45/36/339244536.db2.gz UNBAKEAUAITFRR-ZWKOTPCHSA-N 1 1 300.446 3.512 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000468104028 339254124 /nfs/dbraw/zinc/25/41/24/339254124.db2.gz NRHROQUHGQKIMK-FQEVSTJZSA-N 1 1 314.473 3.542 20 30 DHEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000468269755 339258232 /nfs/dbraw/zinc/25/82/32/339258232.db2.gz HMIWWYVXGOMUAZ-LJQANCHMSA-N 1 1 323.415 3.798 20 30 DHEDMO CCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000468272460 339258416 /nfs/dbraw/zinc/25/84/16/339258416.db2.gz MJFBNPZMOXCJSH-JQHSSLGASA-N 1 1 316.420 3.723 20 30 DHEDMO C[N@@H+](CCOc1ccccc1Cl)Cc1ccc(F)c(C#N)c1 ZINC000468276171 339258568 /nfs/dbraw/zinc/25/85/68/339258568.db2.gz HLPAMAQSMBRREW-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000468280390 339258727 /nfs/dbraw/zinc/25/87/27/339258727.db2.gz HAGDJABCUCOTDI-GOSISDBHSA-N 1 1 324.399 3.913 20 30 DHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000469311272 339285853 /nfs/dbraw/zinc/28/58/53/339285853.db2.gz XHXMODZVNLQXIA-WMZOPIPTSA-N 1 1 314.429 3.530 20 30 DHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000469311272 339285854 /nfs/dbraw/zinc/28/58/54/339285854.db2.gz XHXMODZVNLQXIA-WMZOPIPTSA-N 1 1 314.429 3.530 20 30 DHEDMO C=C(C)C[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1 ZINC000470925924 339331283 /nfs/dbraw/zinc/33/12/83/339331283.db2.gz LSYCQXGSCBBWCW-UHFFFAOYSA-N 1 1 324.424 3.712 20 30 DHEDMO C=C(C)C[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccccc1 ZINC000470925924 339331284 /nfs/dbraw/zinc/33/12/84/339331284.db2.gz LSYCQXGSCBBWCW-UHFFFAOYSA-N 1 1 324.424 3.712 20 30 DHEDMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1cc2ccccc2o1 ZINC000472283206 339368775 /nfs/dbraw/zinc/36/87/75/339368775.db2.gz IHAJRUBXKFTHGS-UHFFFAOYSA-N 1 1 306.365 3.815 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1ccc(Cl)cc1 ZINC000491657575 339871568 /nfs/dbraw/zinc/87/15/68/339871568.db2.gz GLSZKRWBCSBTJT-MRXNPFEDSA-N 1 1 309.800 3.691 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000501320263 340078572 /nfs/dbraw/zinc/07/85/72/340078572.db2.gz ZNCGSVXEBZCFDA-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000501320263 340078573 /nfs/dbraw/zinc/07/85/73/340078573.db2.gz ZNCGSVXEBZCFDA-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1 ZINC000501378158 340079568 /nfs/dbraw/zinc/07/95/68/340079568.db2.gz USEXTRCHLYNPTC-CQSZACIVSA-N 1 1 308.853 3.585 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000501378158 340079569 /nfs/dbraw/zinc/07/95/69/340079569.db2.gz USEXTRCHLYNPTC-CQSZACIVSA-N 1 1 308.853 3.585 20 30 DHEDMO C=CCC(C)(C)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000501604506 340084789 /nfs/dbraw/zinc/08/47/89/340084789.db2.gz HYYXITNWROWIOL-FQEVSTJZSA-N 1 1 314.473 3.760 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)[C@H](C)CN1Cc1ccccc1 ZINC000501778895 340088447 /nfs/dbraw/zinc/08/84/47/340088447.db2.gz VYVIBORJNYUOBF-QZTJIDSGSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1CCCC(C)(C)C#N ZINC000501778895 340088448 /nfs/dbraw/zinc/08/84/48/340088448.db2.gz VYVIBORJNYUOBF-QZTJIDSGSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CCCC(C)(C)C#N ZINC000501778895 340088449 /nfs/dbraw/zinc/08/84/49/340088449.db2.gz VYVIBORJNYUOBF-QZTJIDSGSA-N 1 1 313.489 3.911 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000502442707 340103777 /nfs/dbraw/zinc/10/37/77/340103777.db2.gz CZNZGZSZFUZJRP-FGTMMUONSA-N 1 1 314.473 3.568 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000502442707 340103778 /nfs/dbraw/zinc/10/37/78/340103778.db2.gz CZNZGZSZFUZJRP-FGTMMUONSA-N 1 1 314.473 3.568 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000502451322 340104157 /nfs/dbraw/zinc/10/41/57/340104157.db2.gz SDUWEWYHDJQTGO-FGTMMUONSA-N 1 1 314.473 3.853 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000502451322 340104158 /nfs/dbraw/zinc/10/41/58/340104158.db2.gz SDUWEWYHDJQTGO-FGTMMUONSA-N 1 1 314.473 3.853 20 30 DHEDMO C=CC[C@@H](C(=O)Nc1cc(C)c2[nH+]ccn2c1)c1ccccc1 ZINC000502885370 340115585 /nfs/dbraw/zinc/11/55/85/340115585.db2.gz AHVLYXDYXFNDQL-QGZVFWFLSA-N 1 1 305.381 3.941 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000505023548 340159113 /nfs/dbraw/zinc/15/91/13/340159113.db2.gz MRARMIHEJZLNDB-INIZCTEOSA-N 1 1 315.461 3.801 20 30 DHEDMO C=CCOc1cccc(C[N@@H+](CCOC)Cc2cccs2)c1 ZINC000506020740 340183447 /nfs/dbraw/zinc/18/34/47/340183447.db2.gz AWGJUZXBKRROIP-UHFFFAOYSA-N 1 1 317.454 3.962 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000506748394 340200816 /nfs/dbraw/zinc/20/08/16/340200816.db2.gz SUXZVZQTBJJBNS-UHFFFAOYSA-N 1 1 312.369 3.792 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000506748394 340200817 /nfs/dbraw/zinc/20/08/17/340200817.db2.gz SUXZVZQTBJJBNS-UHFFFAOYSA-N 1 1 312.369 3.792 20 30 DHEDMO Cn1nccc1-c1ccccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000507187433 340211862 /nfs/dbraw/zinc/21/18/62/340211862.db2.gz KBTMXEZXDUCLTB-UHFFFAOYSA-N 1 1 316.408 3.591 20 30 DHEDMO CC[C@H]1C[C@@H](C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)CCO1 ZINC000507794576 340231683 /nfs/dbraw/zinc/23/16/83/340231683.db2.gz LUCAVEJWXRDWAI-OALUTQOASA-N 1 1 300.446 3.974 20 30 DHEDMO CC[C@H]1C[C@H](C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CCO1 ZINC000507814164 340232766 /nfs/dbraw/zinc/23/27/66/340232766.db2.gz QQLYMNYVKMBOHD-XLIONFOSSA-N 1 1 310.441 3.853 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccccc1OCCOC ZINC000508544073 340246167 /nfs/dbraw/zinc/24/61/67/340246167.db2.gz WUHXOABGTVLWQF-UHFFFAOYSA-N 1 1 311.425 3.900 20 30 DHEDMO C=C(C)CC[N@@H+]1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000508992534 340257529 /nfs/dbraw/zinc/25/75/29/340257529.db2.gz WOCSJGFCQSMDJB-OAHLLOKOSA-N 1 1 304.434 3.546 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc2c(c1)CCC2 ZINC000512148431 340349801 /nfs/dbraw/zinc/34/98/01/340349801.db2.gz OGHXWGAVKGXQAF-UHFFFAOYSA-N 1 1 311.425 3.839 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C)ccc1OC ZINC000512177735 340351003 /nfs/dbraw/zinc/35/10/03/340351003.db2.gz HUTYWZSUZZGXJW-UHFFFAOYSA-N 1 1 315.413 3.667 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C)ccc1OC ZINC000512177735 340351004 /nfs/dbraw/zinc/35/10/04/340351004.db2.gz HUTYWZSUZZGXJW-UHFFFAOYSA-N 1 1 315.413 3.667 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(OCC)cc1 ZINC000512184238 340351390 /nfs/dbraw/zinc/35/13/90/340351390.db2.gz WNBBKNXIAJKBCG-UHFFFAOYSA-N 1 1 315.413 3.749 20 30 DHEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000512440042 340361887 /nfs/dbraw/zinc/36/18/87/340361887.db2.gz ZMUNSMQBJMPRAY-YJBOKZPZSA-N 1 1 305.849 3.707 20 30 DHEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000512464338 340362799 /nfs/dbraw/zinc/36/27/99/340362799.db2.gz WNHMMWGFYFRHJH-YJBOKZPZSA-N 1 1 305.849 3.707 20 30 DHEDMO C[C@H](N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512610540 340369017 /nfs/dbraw/zinc/36/90/17/340369017.db2.gz CBDSAEGQAVOHKY-GKCIPKSASA-N 1 1 323.415 3.793 20 30 DHEDMO C[C@H](N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512610540 340369018 /nfs/dbraw/zinc/36/90/18/340369018.db2.gz CBDSAEGQAVOHKY-GKCIPKSASA-N 1 1 323.415 3.793 20 30 DHEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000512677416 340372571 /nfs/dbraw/zinc/37/25/71/340372571.db2.gz IVULFLTVLOCBLU-GOSISDBHSA-N 1 1 324.399 3.913 20 30 DHEDMO N#Cc1cc(Br)ccc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000312097254 340451383 /nfs/dbraw/zinc/45/13/83/340451383.db2.gz SCVHBFHVUHSUDT-CHWSQXEVSA-N 1 1 319.246 3.943 20 30 DHEDMO Fc1cccc(OC2CC[NH+](CC#Cc3ccccc3)CC2)c1 ZINC000528571621 340724365 /nfs/dbraw/zinc/72/43/65/340724365.db2.gz MJGNTUMPOHHCDY-UHFFFAOYSA-N 1 1 309.384 3.721 20 30 DHEDMO Cc1nc(-c2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc2)cs1 ZINC000564240712 340956226 /nfs/dbraw/zinc/95/62/26/340956226.db2.gz LHEVYDORMAPTLJ-OAHLLOKOSA-N 1 1 310.426 3.652 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000542630601 341015378 /nfs/dbraw/zinc/01/53/78/341015378.db2.gz KBHBFONSBATDJI-UTKZUKDTSA-N 1 1 320.436 3.953 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000542630601 341015379 /nfs/dbraw/zinc/01/53/79/341015379.db2.gz KBHBFONSBATDJI-UTKZUKDTSA-N 1 1 320.436 3.953 20 30 DHEDMO Cc1nn(-c2ccccc2)cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000130749453 341040821 /nfs/dbraw/zinc/04/08/21/341040821.db2.gz GXINMLUEWPZXHO-UHFFFAOYSA-N 1 1 316.408 3.684 20 30 DHEDMO Cc1nn(-c2ccccc2)cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000130749453 341040822 /nfs/dbraw/zinc/04/08/22/341040822.db2.gz GXINMLUEWPZXHO-UHFFFAOYSA-N 1 1 316.408 3.684 20 30 DHEDMO C[C@@H](c1ccccc1F)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000072073586 341060947 /nfs/dbraw/zinc/06/09/47/341060947.db2.gz SREZFGSHMYRMKJ-HNNXBMFYSA-N 1 1 309.388 3.581 20 30 DHEDMO C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccc(C#N)cc1 ZINC000131205549 341065162 /nfs/dbraw/zinc/06/51/62/341065162.db2.gz BZWIGZQJZSIDJH-UHFFFAOYSA-N 1 1 320.371 3.515 20 30 DHEDMO C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccc(C#N)cc1 ZINC000131205549 341065163 /nfs/dbraw/zinc/06/51/63/341065163.db2.gz BZWIGZQJZSIDJH-UHFFFAOYSA-N 1 1 320.371 3.515 20 30 DHEDMO C=CCC[C@@H](NC(=O)Cn1c[nH+]c2c1CCCC2)c1ccccc1 ZINC000544672863 341090720 /nfs/dbraw/zinc/09/07/20/341090720.db2.gz CXYOKSMHYNEPNX-QGZVFWFLSA-N 1 1 323.440 3.586 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)[C@H](C)C(C)C ZINC000072635933 341094677 /nfs/dbraw/zinc/09/46/77/341094677.db2.gz LBZXMXSKDKFMHU-CQSZACIVSA-N 1 1 319.474 3.607 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCOCC3(CCC3)C2)cc1Cl ZINC000544937110 341100292 /nfs/dbraw/zinc/10/02/92/341100292.db2.gz JCDDHZAOBFBFDH-UHFFFAOYSA-N 1 1 321.848 3.907 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCOCC3(CCC3)C2)cc1Cl ZINC000544937110 341100293 /nfs/dbraw/zinc/10/02/93/341100293.db2.gz JCDDHZAOBFBFDH-UHFFFAOYSA-N 1 1 321.848 3.907 20 30 DHEDMO COC(=O)c1cccc(C[NH2+][C@H](C)c2c(C)cccc2C)c1C#N ZINC000546223160 341157605 /nfs/dbraw/zinc/15/76/05/341157605.db2.gz BFZBKSVBJQIPOI-OAHLLOKOSA-N 1 1 322.408 3.813 20 30 DHEDMO COc1ccc(C[N@H+](C)CC#Cc2ccccc2Cl)cc1O ZINC000135140692 341232080 /nfs/dbraw/zinc/23/20/80/341232080.db2.gz FQLIWKGTKMRFFW-UHFFFAOYSA-N 1 1 315.800 3.538 20 30 DHEDMO COc1ccc(C[N@@H+](C)CC#Cc2ccccc2Cl)cc1O ZINC000135140692 341232081 /nfs/dbraw/zinc/23/20/81/341232081.db2.gz FQLIWKGTKMRFFW-UHFFFAOYSA-N 1 1 315.800 3.538 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)cc1C#N ZINC000135159411 341232648 /nfs/dbraw/zinc/23/26/48/341232648.db2.gz WSHTVYMVVKWOLP-GOSISDBHSA-N 1 1 307.397 3.607 20 30 DHEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000135326337 341236784 /nfs/dbraw/zinc/23/67/84/341236784.db2.gz CUNOAABWVRDXAZ-CRAIPNDOSA-N 1 1 313.445 3.787 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)cs2)o1 ZINC000137065859 341271515 /nfs/dbraw/zinc/27/15/15/341271515.db2.gz ZPMJMYPTYVZNNX-OAHLLOKOSA-N 1 1 302.399 3.696 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2cc(C#N)cs2)o1 ZINC000137065859 341271516 /nfs/dbraw/zinc/27/15/16/341271516.db2.gz ZPMJMYPTYVZNNX-OAHLLOKOSA-N 1 1 302.399 3.696 20 30 DHEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)[C@@H](C)c1cccc(O)c1 ZINC000080931190 341276821 /nfs/dbraw/zinc/27/68/21/341276821.db2.gz NVXJYRQLFPMSAE-HNNXBMFYSA-N 1 1 310.397 3.726 20 30 DHEDMO CN(CC(C)(C)C#N)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000552085191 341368389 /nfs/dbraw/zinc/36/83/89/341368389.db2.gz TTXCSSKHEJMCFY-UHFFFAOYSA-N 1 1 301.478 3.626 20 30 DHEDMO C[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000249293967 341396116 /nfs/dbraw/zinc/39/61/16/341396116.db2.gz BONGQGORFJXYQB-DLBZAZTESA-N 1 1 315.461 3.504 20 30 DHEDMO C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000249293967 341396117 /nfs/dbraw/zinc/39/61/17/341396117.db2.gz BONGQGORFJXYQB-DLBZAZTESA-N 1 1 315.461 3.504 20 30 DHEDMO COc1ccc(-c2ccncc2)cc1C[NH2+]CC1(C#N)CCC1 ZINC000576254440 341836422 /nfs/dbraw/zinc/83/64/22/341836422.db2.gz BCRVPSYFLGLVPO-UHFFFAOYSA-N 1 1 307.397 3.541 20 30 DHEDMO CCOC(=O)C1CCC([N@@H+](CC)Cc2cccc(C#N)c2)CC1 ZINC000338364870 520550541 /nfs/dbraw/zinc/55/05/41/520550541.db2.gz GSSSUQYZABBCCB-UHFFFAOYSA-N 1 1 314.429 3.502 20 30 DHEDMO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)cc1OCC ZINC000236876772 521225132 /nfs/dbraw/zinc/22/51/32/521225132.db2.gz JKQOASLSQBDHKL-CYBMUJFWSA-N 1 1 314.385 3.799 20 30 DHEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000156760534 521360631 /nfs/dbraw/zinc/36/06/31/521360631.db2.gz PHLNBQWKTMYOMF-HNNXBMFYSA-N 1 1 317.433 3.607 20 30 DHEDMO CN(C)C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000338475809 521826118 /nfs/dbraw/zinc/82/61/18/521826118.db2.gz XTTKQTGBPWEYQN-MRXNPFEDSA-N 1 1 319.861 3.666 20 30 DHEDMO C[NH+](C)C[C@@H]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000265010181 521849890 /nfs/dbraw/zinc/84/98/90/521849890.db2.gz HFAFPBDOOBZKLU-SFHVURJKSA-N 1 1 319.452 3.609 20 30 DHEDMO CN(C)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000265010181 521849899 /nfs/dbraw/zinc/84/98/99/521849899.db2.gz HFAFPBDOOBZKLU-SFHVURJKSA-N 1 1 319.452 3.609 20 30 DHEDMO CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000265010181 521849908 /nfs/dbraw/zinc/84/99/08/521849908.db2.gz HFAFPBDOOBZKLU-SFHVURJKSA-N 1 1 319.452 3.609 20 30 DHEDMO CCc1nn(C)c(CC)c1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000180031375 522651378 /nfs/dbraw/zinc/65/13/78/522651378.db2.gz HGHPBFHNYYVFIJ-UHFFFAOYSA-N 1 1 322.456 3.581 20 30 DHEDMO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)o2)ccc1OC(C)C ZINC000237274538 522945963 /nfs/dbraw/zinc/94/59/63/522945963.db2.gz ZUOHAUKUBLOTGX-ZDUSSCGKSA-N 1 1 314.385 3.798 20 30 DHEDMO Cn1cc(C[N@@H+](C)Cc2ccccc2C(F)(F)F)cc1C#N ZINC000191208424 523169384 /nfs/dbraw/zinc/16/93/84/523169384.db2.gz TYFKZIFHHZDUJU-UHFFFAOYSA-N 1 1 307.319 3.548 20 30 DHEDMO Cn1cc(C[N@@H+](C)C2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000179865689 523490616 /nfs/dbraw/zinc/49/06/16/523490616.db2.gz RDVUWTGZWQLPSS-UHFFFAOYSA-N 1 1 308.429 3.723 20 30 DHEDMO COc1ccc(C[NH2+]Cc2cccc(C#N)c2)c(Cl)c1OC ZINC000106366999 524072964 /nfs/dbraw/zinc/07/29/64/524072964.db2.gz RXGOEVLLDSYNGK-UHFFFAOYSA-N 1 1 316.788 3.519 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NCc3ccc(C#N)o3)cc2)C1 ZINC000156098221 524096024 /nfs/dbraw/zinc/09/60/24/524096024.db2.gz WNMAMYJDTPCHOG-HNNXBMFYSA-N 1 1 309.413 3.995 20 30 DHEDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H](c2ccco2)C1 ZINC000156607436 524506650 /nfs/dbraw/zinc/50/66/50/524506650.db2.gz XSROUTPCOCQAPT-JLSDUUJJSA-N 1 1 310.397 3.658 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]2CCCC[C@H]12 ZINC000182477646 524651050 /nfs/dbraw/zinc/65/10/50/524651050.db2.gz LSRKWEHFTWTSTQ-XKQJLSEDSA-N 1 1 322.412 3.619 20 30 DHEDMO C[C@@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccc(C#N)cc1 ZINC000338340985 525562504 /nfs/dbraw/zinc/56/25/04/525562504.db2.gz BSXWLCPDKTYIDP-OAHLLOKOSA-N 1 1 302.381 3.595 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000265231595 526042239 /nfs/dbraw/zinc/04/22/39/526042239.db2.gz QSXRCVMMHATBPV-FOIQADDNSA-N 1 1 306.409 3.865 20 30 DHEDMO N#Cc1cc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)ccc1F ZINC000160628449 526547841 /nfs/dbraw/zinc/54/78/41/526547841.db2.gz WFQSYXNBCAVJNF-UHFFFAOYSA-N 1 1 322.383 3.792 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)s1 ZINC000180507058 526612454 /nfs/dbraw/zinc/61/24/54/526612454.db2.gz WHXWZHNANGROGG-IUODEOHRSA-N 1 1 318.467 3.769 20 30 DHEDMO C=CCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC(C)(C)C ZINC001209163436 1013054453 /nfs/dbraw/zinc/05/44/53/1013054453.db2.gz DYHGJSMQLLUOGI-KRWDZBQOSA-N 1 1 301.430 3.721 20 30 DHEDMO C=CCCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC(C)(C)C ZINC001209163436 1013054465 /nfs/dbraw/zinc/05/44/65/1013054465.db2.gz DYHGJSMQLLUOGI-KRWDZBQOSA-N 1 1 301.430 3.721 20 30 DHEDMO C=C[C@H](CC)CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000931171417 1032059437 /nfs/dbraw/zinc/05/94/37/1032059437.db2.gz ICTRCNLXCRNJDA-OAHLLOKOSA-N 1 1 318.486 3.776 20 30 DHEDMO C=CC[N@@H+](CCC(=O)c1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000537514869 1032067595 /nfs/dbraw/zinc/06/75/95/1032067595.db2.gz YRBWGTRJVJIQLL-UHFFFAOYSA-N 1 1 324.380 3.856 20 30 DHEDMO C=CC[N@H+](CCC(=O)c1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000537514869 1032067611 /nfs/dbraw/zinc/06/76/11/1032067611.db2.gz YRBWGTRJVJIQLL-UHFFFAOYSA-N 1 1 324.380 3.856 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000120725850 1013151065 /nfs/dbraw/zinc/15/10/65/1013151065.db2.gz KTQLOEZSPSRWIX-UHFFFAOYSA-N 1 1 319.408 3.849 20 30 DHEDMO C=CCCCCC[N@H+]1Cc2nn(CC3CC3)cc2[C@@H](COC)C1 ZINC001209422759 1013257449 /nfs/dbraw/zinc/25/74/49/1013257449.db2.gz HTKAMXSGJCADIA-QGZVFWFLSA-N 1 1 317.477 3.585 20 30 DHEDMO C=CCCCCCC[N@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001209432097 1013274074 /nfs/dbraw/zinc/27/40/74/1013274074.db2.gz ZFQNHGZAEJGEBL-KBPBESRZSA-N 1 1 311.363 3.850 20 30 DHEDMO C=CCCCCC[N@@H+]1CCN(C(=O)c2ccccc2)C[C@H]1C ZINC001209432947 1013276137 /nfs/dbraw/zinc/27/61/37/1013276137.db2.gz OHVBZVDPENJFTA-QGZVFWFLSA-N 1 1 300.446 3.579 20 30 DHEDMO COCC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@H](C)c1ccccc1 ZINC000340142655 1013350539 /nfs/dbraw/zinc/35/05/39/1013350539.db2.gz HYYOVHITTYFMLF-MRXNPFEDSA-N 1 1 324.424 3.776 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)C(=O)C(C)(C)c1cccc(Cl)c1 ZINC001626750902 1013384872 /nfs/dbraw/zinc/38/48/72/1013384872.db2.gz LITXVQKYQYGOPQ-UHFFFAOYSA-N 1 1 322.880 3.584 20 30 DHEDMO CC(C)[N@H+](Cc1ccccc1F)C[C@H](O)c1cccc(C#N)c1 ZINC001167248397 1013443612 /nfs/dbraw/zinc/44/36/12/1013443612.db2.gz PSIDVNPQOIANEY-IBGZPJMESA-N 1 1 312.388 3.641 20 30 DHEDMO Cc1cnccc1CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000574449782 1013618310 /nfs/dbraw/zinc/61/83/10/1013618310.db2.gz QNSLWYSZIWXIJB-UHFFFAOYSA-N 1 1 303.409 3.594 20 30 DHEDMO N#Cc1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000317234069 1013658170 /nfs/dbraw/zinc/65/81/70/1013658170.db2.gz DHPIPUFTULUVKY-STQMWFEESA-N 1 1 309.335 3.616 20 30 DHEDMO C[C@@H](O)C[N@@H+](CC#Cc1ccccc1Cl)C1CCCCC1 ZINC000441153561 1013675506 /nfs/dbraw/zinc/67/55/06/1013675506.db2.gz ZLQUPOMCSLYWOO-OAHLLOKOSA-N 1 1 305.849 3.707 20 30 DHEDMO C=CCOc1ccc(CNCC[N@H+](C)C2CCCC2)cc1Cl ZINC000520215234 1013679636 /nfs/dbraw/zinc/67/96/36/1013679636.db2.gz QUEWXCIIQIVGNH-UHFFFAOYSA-N 1 1 322.880 3.869 20 30 DHEDMO C=CCOc1ccc(C[NH2+]CCN(C)C2CCCC2)cc1Cl ZINC000520215234 1013679640 /nfs/dbraw/zinc/67/96/40/1013679640.db2.gz QUEWXCIIQIVGNH-UHFFFAOYSA-N 1 1 322.880 3.869 20 30 DHEDMO Cn1c2ccc(NC[C@@H](C#N)CCC#N)cc2[nH+]c1C(C)(C)C ZINC000520220686 1013681185 /nfs/dbraw/zinc/68/11/85/1013681185.db2.gz JCVUBSQSQJNSIL-CYBMUJFWSA-N 1 1 309.417 3.726 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H](CN2CCCC2)c2ccccc2)s1 ZINC000176944259 1013688504 /nfs/dbraw/zinc/68/85/04/1013688504.db2.gz RIMRXJQVNFMGBO-GOSISDBHSA-N 1 1 311.454 3.546 20 30 DHEDMO N#Cc1cccc(Cl)c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000520307152 1013702287 /nfs/dbraw/zinc/70/22/87/1013702287.db2.gz BJBFNYNXISORSM-MRXNPFEDSA-N 1 1 311.816 3.898 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000441348974 1013723234 /nfs/dbraw/zinc/72/32/34/1013723234.db2.gz RLVAVTUSMCZRGN-QAPCUYQASA-N 1 1 318.436 3.633 20 30 DHEDMO COc1ccc(C[N@H+](C)Cc2csc(C#N)c2)cc1Cl ZINC000894926182 1013744874 /nfs/dbraw/zinc/74/48/74/1013744874.db2.gz QTNNBWGUJKIYIX-UHFFFAOYSA-N 1 1 306.818 3.914 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2csc(C#N)c2)cc1Cl ZINC000894926182 1013744880 /nfs/dbraw/zinc/74/48/80/1013744880.db2.gz QTNNBWGUJKIYIX-UHFFFAOYSA-N 1 1 306.818 3.914 20 30 DHEDMO N#CC1(NC(=O)C[N@@H+]2CCC=C(c3ccccc3)C2)CCCCC1 ZINC000328905446 1013806820 /nfs/dbraw/zinc/80/68/20/1013806820.db2.gz JZPLQHXJJRJCJB-UHFFFAOYSA-N 1 1 323.440 3.959 20 30 DHEDMO N#CC1(NC(=O)C[N@H+]2CCC=C(c3ccccc3)C2)CCCCC1 ZINC000328905446 1013806830 /nfs/dbraw/zinc/80/68/30/1013806830.db2.gz JZPLQHXJJRJCJB-UHFFFAOYSA-N 1 1 323.440 3.959 20 30 DHEDMO C=CCCCCCNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000579974861 1013826373 /nfs/dbraw/zinc/82/63/73/1013826373.db2.gz AULGTSWSKITITJ-IAGOWNOFSA-N 1 1 321.509 3.685 20 30 DHEDMO C[C@@H]1CCC[C@@H](C[N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC001167318625 1013835793 /nfs/dbraw/zinc/83/57/93/1013835793.db2.gz OZBYVZJYZOAPJI-QZTJIDSGSA-N 1 1 311.473 3.897 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441446856 1013881041 /nfs/dbraw/zinc/88/10/41/1013881041.db2.gz JTCQKYGIBNDPAQ-UHFFFAOYSA-N 1 1 310.401 3.786 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(Br)o1)c1cccc(C#N)c1 ZINC000188742201 1013894415 /nfs/dbraw/zinc/89/44/15/1013894415.db2.gz HIMDPYLBTXNPGK-JTQLQIEISA-N 1 1 305.175 3.765 20 30 DHEDMO C[C@@H](CCNCc1cc(C#N)cs1)[N@@H+](C)Cc1ccccc1 ZINC000177708710 1014020695 /nfs/dbraw/zinc/02/06/95/1014020695.db2.gz GWDQWIUWVZGTCI-HNNXBMFYSA-N 1 1 313.470 3.620 20 30 DHEDMO COC(=O)[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)[C@H]2CCC[C@@H]21 ZINC000931262765 1032084958 /nfs/dbraw/zinc/08/49/58/1032084958.db2.gz IIBSMJXIEAHNDB-ZACQAIPSSA-N 1 1 318.461 3.514 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2csc(C(=O)OCC)n2)CCCC1(C)C ZINC000580518101 1014191726 /nfs/dbraw/zinc/19/17/26/1014191726.db2.gz LLLVCNHNCMOYIB-AWEZNQCLSA-N 1 1 322.474 3.887 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2csc(C(=O)OCC)n2)CCCC1(C)C ZINC000580518101 1014191733 /nfs/dbraw/zinc/19/17/33/1014191733.db2.gz LLLVCNHNCMOYIB-AWEZNQCLSA-N 1 1 322.474 3.887 20 30 DHEDMO COC(=O)c1cccc(C[NH2+][C@H](c2ccccc2)C2CC2)c1C#N ZINC000537291936 1014242169 /nfs/dbraw/zinc/24/21/69/1014242169.db2.gz SYKNRQLGHNWJJJ-LJQANCHMSA-N 1 1 320.392 3.586 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cccc(C#N)c1 ZINC000610452191 1014273815 /nfs/dbraw/zinc/27/38/15/1014273815.db2.gz VIXGWQOYDXHGKI-GOSISDBHSA-N 1 1 319.452 3.655 20 30 DHEDMO C[C@@H]1CCN(Cc2ccccc2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000610452191 1014273824 /nfs/dbraw/zinc/27/38/24/1014273824.db2.gz VIXGWQOYDXHGKI-GOSISDBHSA-N 1 1 319.452 3.655 20 30 DHEDMO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000610452191 1014273832 /nfs/dbraw/zinc/27/38/32/1014273832.db2.gz VIXGWQOYDXHGKI-GOSISDBHSA-N 1 1 319.452 3.655 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1ccc(C#N)cc1 ZINC000610451731 1014291725 /nfs/dbraw/zinc/29/17/25/1014291725.db2.gz HCIJDPKVUQJBEZ-GOSISDBHSA-N 1 1 319.452 3.655 20 30 DHEDMO C[C@@H]1CCN(Cc2ccccc2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000610451731 1014291732 /nfs/dbraw/zinc/29/17/32/1014291732.db2.gz HCIJDPKVUQJBEZ-GOSISDBHSA-N 1 1 319.452 3.655 20 30 DHEDMO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000610451731 1014291740 /nfs/dbraw/zinc/29/17/40/1014291740.db2.gz HCIJDPKVUQJBEZ-GOSISDBHSA-N 1 1 319.452 3.655 20 30 DHEDMO C=CCCCN(C)C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000135076435 1014365016 /nfs/dbraw/zinc/36/50/16/1014365016.db2.gz WRQYUSWTXOGUQO-UHFFFAOYSA-N 1 1 300.446 3.709 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2ccccc2F)cc1 ZINC000160729331 1014511652 /nfs/dbraw/zinc/51/16/52/1014511652.db2.gz HHAHSOLPMOYKFO-UHFFFAOYSA-N 1 1 311.404 3.808 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000120960116 1014539023 /nfs/dbraw/zinc/53/90/23/1014539023.db2.gz RAZASBDJOKATQD-UHFFFAOYSA-N 1 1 322.408 3.685 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc(C#N)o2)cc1 ZINC000428191348 1014587219 /nfs/dbraw/zinc/58/72/19/1014587219.db2.gz JWMRMGYDAKVPTL-CQSZACIVSA-N 1 1 323.396 3.778 20 30 DHEDMO Cc1cnc(C(C)(C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000175983941 1014620321 /nfs/dbraw/zinc/62/03/21/1014620321.db2.gz DEOPTDRIEUKSDH-LBPRGKRZSA-N 1 1 315.442 3.767 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cc(C(F)(F)F)n[nH]1 ZINC000442810770 1014740937 /nfs/dbraw/zinc/74/09/37/1014740937.db2.gz NVAGLZLLKUIGPM-UHFFFAOYSA-N 1 1 309.335 3.659 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(C(F)(F)F)n[nH]1 ZINC000442810770 1014740949 /nfs/dbraw/zinc/74/09/49/1014740949.db2.gz NVAGLZLLKUIGPM-UHFFFAOYSA-N 1 1 309.335 3.659 20 30 DHEDMO CC#CCC[N@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 ZINC000581381988 1014753551 /nfs/dbraw/zinc/75/35/51/1014753551.db2.gz MMWPHCHONHEBJN-HNNXBMFYSA-N 1 1 301.430 3.718 20 30 DHEDMO COc1cc(C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)ccc1C#N ZINC000442883030 1014759591 /nfs/dbraw/zinc/75/95/91/1014759591.db2.gz GHLRGPYKDZJIDC-KXBFYZLASA-N 1 1 306.409 3.945 20 30 DHEDMO C[NH+](C)Cc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1Br ZINC000442875545 1014755991 /nfs/dbraw/zinc/75/59/91/1014755991.db2.gz OZJSADOJPMHILG-DGCLKSJQSA-N 1 1 322.250 3.615 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccccc1F)CC(C)C ZINC000521816018 1014809119 /nfs/dbraw/zinc/80/91/19/1014809119.db2.gz FXCGOCJUBCXGOQ-UHFFFAOYSA-N 1 1 320.452 3.708 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](Cc1ccccc1F)CC(C)C ZINC000521816018 1014809128 /nfs/dbraw/zinc/80/91/28/1014809128.db2.gz FXCGOCJUBCXGOQ-UHFFFAOYSA-N 1 1 320.452 3.708 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+](CC)[C@H](CC)c1ccccc1 ZINC000521823861 1014811047 /nfs/dbraw/zinc/81/10/47/1014811047.db2.gz RDODIRXIWWQSRV-GOSISDBHSA-N 1 1 300.446 3.660 20 30 DHEDMO C#CC[NH+](CC#C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC001167464437 1014879453 /nfs/dbraw/zinc/87/94/53/1014879453.db2.gz LTVBYSOZSPTIEB-KRWDZBQOSA-N 1 1 316.404 3.568 20 30 DHEDMO CC1(C)CC[C@H](C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)OC1 ZINC001167464604 1014882657 /nfs/dbraw/zinc/88/26/57/1014882657.db2.gz OATVGMPTWNAUMU-QYZOEREBSA-N 1 1 312.457 3.963 20 30 DHEDMO CC1(C)CC[C@H](C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)OC1 ZINC001167464604 1014882669 /nfs/dbraw/zinc/88/26/69/1014882669.db2.gz OATVGMPTWNAUMU-QYZOEREBSA-N 1 1 312.457 3.963 20 30 DHEDMO CC1(C)CC[C@H](C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)OC1 ZINC001167464602 1014883999 /nfs/dbraw/zinc/88/39/99/1014883999.db2.gz OATVGMPTWNAUMU-GUDVDZBRSA-N 1 1 312.457 3.963 20 30 DHEDMO CC1(C)CC[C@H](C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)OC1 ZINC001167464602 1014884012 /nfs/dbraw/zinc/88/40/12/1014884012.db2.gz OATVGMPTWNAUMU-GUDVDZBRSA-N 1 1 312.457 3.963 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCSC[C@H]2c2ccccc2)ccc1F ZINC000121106433 1014976129 /nfs/dbraw/zinc/97/61/29/1014976129.db2.gz AICCGGVTIVHKTI-SFHVURJKSA-N 1 1 312.413 3.987 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCSC[C@H]2c2ccccc2)ccc1F ZINC000121106433 1014976133 /nfs/dbraw/zinc/97/61/33/1014976133.db2.gz AICCGGVTIVHKTI-SFHVURJKSA-N 1 1 312.413 3.987 20 30 DHEDMO C=CCCCCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000474099398 1015009690 /nfs/dbraw/zinc/00/96/90/1015009690.db2.gz UHDFDTKVHAJWFF-ZWKOTPCHSA-N 1 1 321.509 3.639 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2ccc(C#N)cc2)cc1 ZINC000255326609 1015019305 /nfs/dbraw/zinc/01/93/05/1015019305.db2.gz YHGJNMSCDOBBEV-WDZFZDKYSA-N 1 1 313.360 3.949 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443643730 1015063348 /nfs/dbraw/zinc/06/33/48/1015063348.db2.gz WFYIQDVKOVYZCU-LSDHHAIUSA-N 1 1 309.837 3.510 20 30 DHEDMO CC[N@@H+](CCOc1ccccc1OC)Cc1csc(C#N)c1 ZINC000895463320 1015168858 /nfs/dbraw/zinc/16/88/58/1015168858.db2.gz PQLUWTSSKZAFBX-UHFFFAOYSA-N 1 1 316.426 3.529 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](Cc1ccc(OC)cc1OC)C(C)(C)C ZINC000474186126 1015174166 /nfs/dbraw/zinc/17/41/66/1015174166.db2.gz UFXYFHLPRWLMIV-MRXNPFEDSA-N 1 1 321.461 3.631 20 30 DHEDMO COc1cccc2sc(NC(=O)C[N@@H+]3CCC[C@H](C)C3)nc21 ZINC000051150512 1015186205 /nfs/dbraw/zinc/18/62/05/1015186205.db2.gz OMMBWKYGZIPOGF-NSHDSACASA-N 1 1 319.430 3.625 20 30 DHEDMO COc1cccc2sc(NC(=O)C[N@H+]3CCC[C@H](C)C3)nc21 ZINC000051150512 1015186209 /nfs/dbraw/zinc/18/62/09/1015186209.db2.gz OMMBWKYGZIPOGF-NSHDSACASA-N 1 1 319.430 3.625 20 30 DHEDMO CC(C)Oc1cc(Cl)ccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000895539511 1015194786 /nfs/dbraw/zinc/19/47/86/1015194786.db2.gz VPEQDSGAUGRIEG-UHFFFAOYSA-N 1 1 315.804 3.684 20 30 DHEDMO N#Cc1cc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)cs1 ZINC000895552782 1015201740 /nfs/dbraw/zinc/20/17/40/1015201740.db2.gz YBNUDPULBORWDG-UHFFFAOYSA-N 1 1 316.401 3.802 20 30 DHEDMO C=C(C)C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OCC ZINC000895598857 1015220218 /nfs/dbraw/zinc/22/02/18/1015220218.db2.gz VXKQLCIUCBIKOE-AGIUHOORSA-N 1 1 307.356 3.595 20 30 DHEDMO C=CCC[N@H+](C)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000276515888 1015252392 /nfs/dbraw/zinc/25/23/92/1015252392.db2.gz YFFHMBXNHKJZAO-UHFFFAOYSA-N 1 1 304.415 3.532 20 30 DHEDMO CCCOc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1OC ZINC000127291550 1015310374 /nfs/dbraw/zinc/31/03/74/1015310374.db2.gz CIAVYEVIPXWQRQ-UHFFFAOYSA-N 1 1 324.424 3.988 20 30 DHEDMO C=C1CCC(C(=O)NCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000895844206 1015324244 /nfs/dbraw/zinc/32/42/44/1015324244.db2.gz PHYKERDSIKEPNV-UHFFFAOYSA-N 1 1 300.446 3.501 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2cnn(CC3CCC3)c2)C2CC2)cc1 ZINC000891596013 1015436919 /nfs/dbraw/zinc/43/69/19/1015436919.db2.gz IKZBDVOMZWCLAI-UHFFFAOYSA-N 1 1 320.440 3.719 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cnn(CC3CCC3)c2)C2CC2)cc1 ZINC000891596013 1015436922 /nfs/dbraw/zinc/43/69/22/1015436922.db2.gz IKZBDVOMZWCLAI-UHFFFAOYSA-N 1 1 320.440 3.719 20 30 DHEDMO Cc1cc(NCc2ccccc2C[N@H+](C)C(C)C)cc(C#N)n1 ZINC000341544905 1015493358 /nfs/dbraw/zinc/49/33/58/1015493358.db2.gz IAGGOVNHDAUXTL-UHFFFAOYSA-N 1 1 308.429 3.714 20 30 DHEDMO Cc1nc2ccc(Nc3sc4c(c3C#N)CC[N@H+](C)C4)cc2o1 ZINC001213062857 1015556969 /nfs/dbraw/zinc/55/69/69/1015556969.db2.gz GMTFNYGNTNUIPW-UHFFFAOYSA-N 1 1 324.409 3.801 20 30 DHEDMO C=CC[N@H+](Cc1cnn(C2CCC2)c1)Cc1ccc(OC)cc1 ZINC000891747506 1015584539 /nfs/dbraw/zinc/58/45/39/1015584539.db2.gz KQKMBXVCCIHNGB-UHFFFAOYSA-N 1 1 311.429 3.805 20 30 DHEDMO C=CC[N@@H+](Cc1cnn(C2CCC2)c1)Cc1ccc(OC)cc1 ZINC000891747506 1015584547 /nfs/dbraw/zinc/58/45/47/1015584547.db2.gz KQKMBXVCCIHNGB-UHFFFAOYSA-N 1 1 311.429 3.805 20 30 DHEDMO CC(C)[N@H+](Cc1nc2cccnc2s1)Cc1ccc(C#N)cc1 ZINC000341611858 1015593065 /nfs/dbraw/zinc/59/30/65/1015593065.db2.gz VUFSJDIGNLDZTQ-UHFFFAOYSA-N 1 1 322.437 3.974 20 30 DHEDMO CC(C)[N@@H+](Cc1nc2cccnc2s1)Cc1ccc(C#N)cc1 ZINC000341611858 1015593071 /nfs/dbraw/zinc/59/30/71/1015593071.db2.gz VUFSJDIGNLDZTQ-UHFFFAOYSA-N 1 1 322.437 3.974 20 30 DHEDMO COc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1F ZINC000428301060 1015602780 /nfs/dbraw/zinc/60/27/80/1015602780.db2.gz JANVUHJYCSRBPS-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO C[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC12CCC2 ZINC000329094323 1015640386 /nfs/dbraw/zinc/64/03/86/1015640386.db2.gz BFMQWOOYKLLEHD-HNNXBMFYSA-N 1 1 303.450 3.681 20 30 DHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2conc2C2CC2)C1 ZINC000329087409 1015638112 /nfs/dbraw/zinc/63/81/12/1015638112.db2.gz HHGQFFMMRCRFTN-ZDUSSCGKSA-N 1 1 319.449 3.757 20 30 DHEDMO CCC#C[C@H](C)[N@H+](C)Cc1cc(Br)ccc1OC ZINC001168302567 1032121681 /nfs/dbraw/zinc/12/16/81/1032121681.db2.gz OTUOVJSZOHHIQE-LBPRGKRZSA-N 1 1 310.235 3.691 20 30 DHEDMO CCC#C[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1OC ZINC001168302567 1032121685 /nfs/dbraw/zinc/12/16/85/1032121685.db2.gz OTUOVJSZOHHIQE-LBPRGKRZSA-N 1 1 310.235 3.691 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cn(C)nc1-c1ccccc1 ZINC000329183812 1015655224 /nfs/dbraw/zinc/65/52/24/1015655224.db2.gz PNBGOZVURURXIT-OKILXGFUSA-N 1 1 312.417 3.548 20 30 DHEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000933769668 1015656457 /nfs/dbraw/zinc/65/64/57/1015656457.db2.gz BVHSJJFTIONEBW-SJLPKXTDSA-N 1 1 312.438 3.972 20 30 DHEDMO C[C@H](CC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)NC(=O)C1CCCC1 ZINC000329361357 1015691349 /nfs/dbraw/zinc/69/13/49/1015691349.db2.gz YLMVDZTWIVMSDW-ZIAGYGMSSA-N 1 1 321.465 3.519 20 30 DHEDMO Cc1cc2c(cc1NC(=O)CC[C@@H]1CCCC[N@@H+]1C)OCO2 ZINC000329403267 1015698196 /nfs/dbraw/zinc/69/81/96/1015698196.db2.gz YRTCTCANBJCZKJ-ZDUSSCGKSA-N 1 1 304.390 3.576 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NCc2cc(C#N)n(C)c2)cc1 ZINC000276946579 1015767346 /nfs/dbraw/zinc/76/73/46/1015767346.db2.gz IGCYKMVNQRIDKQ-MRXNPFEDSA-N 1 1 322.456 3.883 20 30 DHEDMO C=CCn1c(=S)n(C[NH+]2C[C@H]3CCCC[C@@H]3C2)nc1C1CC1 ZINC000176190890 1015788142 /nfs/dbraw/zinc/78/81/42/1015788142.db2.gz RUOWWRWPEXIOJH-HUUCEWRRSA-N 1 1 318.490 3.557 20 30 DHEDMO CC[N@@H+](C[C@@H](O)C1CCCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000475047402 1015801699 /nfs/dbraw/zinc/80/16/99/1015801699.db2.gz MNLSWZKMCLXBNO-DNVCBOLYSA-N 1 1 300.446 3.882 20 30 DHEDMO CCCCCCCC[C@H](CCC)[NH+]1CC(N2CCN(C)CC2)C1 ZINC001173309634 1033663293 /nfs/dbraw/zinc/66/32/93/1033663293.db2.gz YLXWSNROZJZUSI-IBGZPJMESA-N 1 1 323.569 3.837 20 30 DHEDMO N#CC1(F)CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000348711119 1015860599 /nfs/dbraw/zinc/86/05/99/1015860599.db2.gz FKZYQJDCGJXJEW-UHFFFAOYSA-N 1 1 318.783 3.558 20 30 DHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@H]1CC[C@@H](CC)C1)CCO2 ZINC001173282441 1033673787 /nfs/dbraw/zinc/67/37/87/1033673787.db2.gz YNHVENMXTQUTLK-YDZRNGNQSA-N 1 1 307.478 3.639 20 30 DHEDMO N#Cc1cc(C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)ccn1 ZINC000610993118 1016005956 /nfs/dbraw/zinc/00/59/56/1016005956.db2.gz DBAUPPNSMAPARN-HXUWFJFHSA-N 1 1 303.409 3.995 20 30 DHEDMO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000610993239 1016006650 /nfs/dbraw/zinc/00/66/50/1016006650.db2.gz JTEQRUBJHHNCAN-GOSISDBHSA-N 1 1 309.438 3.552 20 30 DHEDMO Cc1ccc([C@H]2CSCC[N@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000610993239 1016006659 /nfs/dbraw/zinc/00/66/59/1016006659.db2.gz JTEQRUBJHHNCAN-GOSISDBHSA-N 1 1 309.438 3.552 20 30 DHEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CCCSCC#N ZINC000342113167 1016029956 /nfs/dbraw/zinc/02/99/56/1016029956.db2.gz PBNLVBAFWFNCIJ-KRWDZBQOSA-N 1 1 304.459 3.651 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000533147984 1032139514 /nfs/dbraw/zinc/13/95/14/1032139514.db2.gz JGFUDGVCXSIQHG-CVEARBPZSA-N 1 1 323.864 3.758 20 30 DHEDMO C=CCC[C@@H]([NH2+]Cc1ncnn1C)c1ccc(C(F)(F)F)cc1 ZINC000342190030 1016115786 /nfs/dbraw/zinc/11/57/86/1016115786.db2.gz GUMQODCYPTZYDC-CQSZACIVSA-N 1 1 324.350 3.631 20 30 DHEDMO C=CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000065533765 1016215823 /nfs/dbraw/zinc/21/58/23/1016215823.db2.gz ARYXGDFXRICBGP-UHFFFAOYSA-N 1 1 312.369 3.662 20 30 DHEDMO C[N@@H+](Cc1ccccc1)[C@@H](C/N=C\c1ccccc1O)C1CC1 ZINC000588506974 1016405708 /nfs/dbraw/zinc/40/57/08/1016405708.db2.gz QAUKATNBYPDLPD-IAFWPLRWSA-N 1 1 308.425 3.722 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000043419649 1016440856 /nfs/dbraw/zinc/44/08/56/1016440856.db2.gz BORKQXJWQSUZHC-UHFFFAOYSA-N 1 1 300.324 3.957 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000043419649 1016440876 /nfs/dbraw/zinc/44/08/76/1016440876.db2.gz BORKQXJWQSUZHC-UHFFFAOYSA-N 1 1 300.324 3.957 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934334818 1016464048 /nfs/dbraw/zinc/46/40/48/1016464048.db2.gz XIRBHTYNQPLVNS-LBPRGKRZSA-N 1 1 317.845 3.733 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934334818 1016464061 /nfs/dbraw/zinc/46/40/61/1016464061.db2.gz XIRBHTYNQPLVNS-LBPRGKRZSA-N 1 1 317.845 3.733 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cs1 ZINC000892216556 1016471649 /nfs/dbraw/zinc/47/16/49/1016471649.db2.gz NNCVXJJJPYSVGU-HIFRSBDPSA-N 1 1 318.467 3.769 20 30 DHEDMO C=CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000171953062 1016623303 /nfs/dbraw/zinc/62/33/03/1016623303.db2.gz CQBPJGHENWNESM-CYBMUJFWSA-N 1 1 306.837 3.873 20 30 DHEDMO C=CCCC[NH+](Cc1c(C)noc1C)Cc1c(C)noc1C ZINC000346964440 1016661070 /nfs/dbraw/zinc/66/10/70/1016661070.db2.gz KTRUCWUJEDGQSY-UHFFFAOYSA-N 1 1 303.406 3.865 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1c(C)cc(C)nc1OC ZINC000346982623 1016673334 /nfs/dbraw/zinc/67/33/34/1016673334.db2.gz ZDLFQTKGHIACOI-UHFFFAOYSA-N 1 1 300.402 3.531 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1cc(C(=O)OC)oc1C ZINC000143156122 1016730552 /nfs/dbraw/zinc/73/05/52/1016730552.db2.gz LANUENJSJHVENS-UHFFFAOYSA-N 1 1 305.399 3.624 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc(C(=O)OC)oc1C ZINC000143156122 1016730565 /nfs/dbraw/zinc/73/05/65/1016730565.db2.gz LANUENJSJHVENS-UHFFFAOYSA-N 1 1 305.399 3.624 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000934459963 1016733703 /nfs/dbraw/zinc/73/37/03/1016733703.db2.gz ITNVEFHUBSVBFC-GFCCVEGCSA-N 1 1 312.335 3.684 20 30 DHEDMO Cc1cc(C)c(C#N)c(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000342200565 1016770957 /nfs/dbraw/zinc/77/09/57/1016770957.db2.gz AQFZFZJJJUAKKX-SJLPKXTDSA-N 1 1 320.440 3.645 20 30 DHEDMO CCOc1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)cc1OC)C2 ZINC000347263696 1016834050 /nfs/dbraw/zinc/83/40/50/1016834050.db2.gz FWCDGZRTKMCKPI-UHFFFAOYSA-N 1 1 322.408 3.524 20 30 DHEDMO CCOc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1OC)C2 ZINC000347263696 1016834062 /nfs/dbraw/zinc/83/40/62/1016834062.db2.gz FWCDGZRTKMCKPI-UHFFFAOYSA-N 1 1 322.408 3.524 20 30 DHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000342684618 1017008324 /nfs/dbraw/zinc/00/83/24/1017008324.db2.gz GWPQEIHHGXATCP-BETUJISGSA-N 1 1 319.836 3.803 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000847024450 1032181056 /nfs/dbraw/zinc/18/10/56/1032181056.db2.gz JAZHJWVXLSWMGO-LLVKDONJSA-N 1 1 308.303 3.692 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000847024450 1032181060 /nfs/dbraw/zinc/18/10/60/1032181060.db2.gz JAZHJWVXLSWMGO-LLVKDONJSA-N 1 1 308.303 3.692 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)C1 ZINC000847026216 1032184500 /nfs/dbraw/zinc/18/45/00/1032184500.db2.gz DSEALKCOUMBQQU-YESZJQIVSA-N 1 1 312.457 3.872 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[C@@H](C)CC)C1 ZINC000847026216 1032184503 /nfs/dbraw/zinc/18/45/03/1032184503.db2.gz DSEALKCOUMBQQU-YESZJQIVSA-N 1 1 312.457 3.872 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000847029714 1032185326 /nfs/dbraw/zinc/18/53/26/1032185326.db2.gz NIMVHFMUVHGUOR-ZDUSSCGKSA-N 1 1 300.789 3.840 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)C1 ZINC000847029714 1032185333 /nfs/dbraw/zinc/18/53/33/1032185333.db2.gz NIMVHFMUVHGUOR-ZDUSSCGKSA-N 1 1 300.789 3.840 20 30 DHEDMO C=CCN(C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000361994984 1032188502 /nfs/dbraw/zinc/18/85/02/1032188502.db2.gz GDGWPTCICGNEKH-AWEZNQCLSA-N 1 1 324.428 3.602 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccn(C)n2)cc1 ZINC000840815043 1017077359 /nfs/dbraw/zinc/07/73/59/1017077359.db2.gz BJDOFFLUAGXYMC-KGLIPLIRSA-N 1 1 319.836 3.963 20 30 DHEDMO C=C(C)C[N@@H+](CC)[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000152520915 1032283161 /nfs/dbraw/zinc/28/31/61/1032283161.db2.gz QMINKRRQSIABPF-ZDUSSCGKSA-N 1 1 303.381 3.759 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000152520915 1032283172 /nfs/dbraw/zinc/28/31/72/1032283172.db2.gz QMINKRRQSIABPF-ZDUSSCGKSA-N 1 1 303.381 3.759 20 30 DHEDMO C=CCc1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc(OC)c1O ZINC000537623458 1032317499 /nfs/dbraw/zinc/31/74/99/1032317499.db2.gz GYXADTCPCPLFSU-CALCHBBNSA-N 1 1 301.430 3.751 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccc(C(=O)OC)c(F)c1 ZINC000089129871 1032324918 /nfs/dbraw/zinc/32/49/18/1032324918.db2.gz IJEGIIAWTUIASV-UHFFFAOYSA-N 1 1 320.408 3.764 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(C(=O)OC)c(F)c1 ZINC000089129871 1032324920 /nfs/dbraw/zinc/32/49/20/1032324920.db2.gz IJEGIIAWTUIASV-UHFFFAOYSA-N 1 1 320.408 3.764 20 30 DHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2csc(C)n2)c1 ZINC000772984569 1032335869 /nfs/dbraw/zinc/33/58/69/1032335869.db2.gz OOFYQCIGQKGBSU-DOMZBBRYSA-N 1 1 315.442 3.983 20 30 DHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2csc(C)n2)c1 ZINC000772984571 1032336541 /nfs/dbraw/zinc/33/65/41/1032336541.db2.gz OOFYQCIGQKGBSU-IUODEOHRSA-N 1 1 315.442 3.983 20 30 DHEDMO C=C(CC(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001148388079 1032390079 /nfs/dbraw/zinc/39/00/79/1032390079.db2.gz KNCDESGBCAYPJY-IEBWSBKVSA-N 1 1 314.473 3.616 20 30 DHEDMO C[N@@H+](CCCOCc1ccccc1)Cc1cccc(C#N)c1F ZINC000384280550 1017268741 /nfs/dbraw/zinc/26/87/41/1017268741.db2.gz FQQATIDDALCVFQ-UHFFFAOYSA-N 1 1 312.388 3.736 20 30 DHEDMO C[N@@H+](CC(C)(C)CCC#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000091933124 1032462642 /nfs/dbraw/zinc/46/26/42/1032462642.db2.gz DNWZEMFQRGYNIQ-LJQANCHMSA-N 1 1 313.489 3.913 20 30 DHEDMO CC[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000091930206 1032462955 /nfs/dbraw/zinc/46/29/55/1032462955.db2.gz VEOYTCZHDALIQR-OAHLLOKOSA-N 1 1 302.418 3.610 20 30 DHEDMO C=CC[N@H+](Cc1cn(C)nc1-c1ccncc1)Cc1ccccc1 ZINC000092261637 1032485770 /nfs/dbraw/zinc/48/57/70/1032485770.db2.gz ADUBNEPROCOFAM-UHFFFAOYSA-N 1 1 318.424 3.670 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(NC(C)=O)cc1)Cc1ccccc1F ZINC000092404592 1032493090 /nfs/dbraw/zinc/49/30/90/1032493090.db2.gz NWHCLJWXGOXVNJ-UHFFFAOYSA-N 1 1 312.388 3.972 20 30 DHEDMO C=CC[N@H+](Cc1ccc(NC(C)=O)cc1)Cc1ccccc1F ZINC000092404592 1032493097 /nfs/dbraw/zinc/49/30/97/1032493097.db2.gz NWHCLJWXGOXVNJ-UHFFFAOYSA-N 1 1 312.388 3.972 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C)cc1OCCCC#N ZINC000092737343 1032508679 /nfs/dbraw/zinc/50/86/79/1032508679.db2.gz QOHJZAQTGXBHGW-JKSUJKDBSA-N 1 1 316.445 3.998 20 30 DHEDMO C=CCc1cc(C[N@H+](CCC#N)CCC(C)C)cc(OC)c1O ZINC000093100835 1032522663 /nfs/dbraw/zinc/52/26/63/1032522663.db2.gz SYGSVZOPWCDSFC-UHFFFAOYSA-N 1 1 316.445 3.891 20 30 DHEDMO C=CCc1cc(C[N@@H+](CCC#N)CCC(C)C)cc(OC)c1O ZINC000093100835 1032522667 /nfs/dbraw/zinc/52/26/67/1032522667.db2.gz SYGSVZOPWCDSFC-UHFFFAOYSA-N 1 1 316.445 3.891 20 30 DHEDMO COc1ccc(C[N@H+](CCC#N)CC2CC2)cc1OCC(C)C ZINC000093091223 1032523488 /nfs/dbraw/zinc/52/34/88/1032523488.db2.gz WAKYGAOESIBUTA-UHFFFAOYSA-N 1 1 316.445 3.856 20 30 DHEDMO COc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1OCC(C)C ZINC000093091223 1032523490 /nfs/dbraw/zinc/52/34/90/1032523490.db2.gz WAKYGAOESIBUTA-UHFFFAOYSA-N 1 1 316.445 3.856 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)cc1Cl ZINC000093482106 1032540626 /nfs/dbraw/zinc/54/06/26/1032540626.db2.gz QNPDKXYSUVCKBP-ZFWWWQNUSA-N 1 1 309.837 3.640 20 30 DHEDMO CSC[C@@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000093760961 1032554533 /nfs/dbraw/zinc/55/45/33/1032554533.db2.gz DNMMOQKRGZNGPF-INIZCTEOSA-N 1 1 304.459 3.697 20 30 DHEDMO C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)CCN1Cc1ccccc1 ZINC000093811217 1032557400 /nfs/dbraw/zinc/55/74/00/1032557400.db2.gz AXZJORJXELNAED-SFHVURJKSA-N 1 1 313.489 3.913 20 30 DHEDMO CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C#N)cc1OC ZINC000339494216 1012158837 /nfs/dbraw/zinc/15/88/37/1012158837.db2.gz KFJAENYBGGDBBL-CQSZACIVSA-N 1 1 310.397 3.816 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000424868770 1012163084 /nfs/dbraw/zinc/16/30/84/1012163084.db2.gz IWCFWJWIPLIOAS-KRWDZBQOSA-N 1 1 314.473 3.569 20 30 DHEDMO C=C(C)CN1CCC([NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924985676 1012366624 /nfs/dbraw/zinc/36/66/24/1012366624.db2.gz IRULJFSOVWTTLZ-QGZVFWFLSA-N 1 1 319.880 3.743 20 30 DHEDMO C#CC(=O)N1CCC[C@@]2(CCC[N@H+](C[C@H](CC)CCCC)C2)C1 ZINC001269942581 1012472281 /nfs/dbraw/zinc/47/22/81/1012472281.db2.gz UHFMKNGSVISICO-UYAOXDASSA-N 1 1 318.505 3.541 20 30 DHEDMO Cc1ccc2nc(C[N@@H+](C)[C@@H](C)c3cccc(C#N)c3)cn2c1 ZINC000425364978 1012492067 /nfs/dbraw/zinc/49/20/67/1012492067.db2.gz IATKGUQQVLEUQL-HNNXBMFYSA-N 1 1 304.397 3.707 20 30 DHEDMO Cc1ccc2nc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)cn2c1 ZINC000425364978 1012492078 /nfs/dbraw/zinc/49/20/78/1012492078.db2.gz IATKGUQQVLEUQL-HNNXBMFYSA-N 1 1 304.397 3.707 20 30 DHEDMO C=CC[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](C[C@@H](CC)CCCC)C2 ZINC001269959210 1012509518 /nfs/dbraw/zinc/50/95/18/1012509518.db2.gz BTFRSBUCTQDXFJ-MSOLQXFVSA-N 1 1 320.521 3.949 20 30 DHEDMO C=CC[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](C[C@@H](CC)CCCC)C[C@H]21 ZINC001269961210 1012517477 /nfs/dbraw/zinc/51/74/77/1012517477.db2.gz WWEQWSVAOIDNCC-YDZRNGNQSA-N 1 1 320.521 3.948 20 30 DHEDMO N#Cc1cccc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000336725497 1012545430 /nfs/dbraw/zinc/54/54/30/1012545430.db2.gz VEJKFNDMUYYLSN-GOSISDBHSA-N 1 1 320.440 3.667 20 30 DHEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc(Cl)s1 ZINC000048331279 1012552698 /nfs/dbraw/zinc/55/26/98/1012552698.db2.gz RJZNEZZFXFBNEG-UHFFFAOYSA-N 1 1 306.818 3.784 20 30 DHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](CC)C1CCCCC1 ZINC000515256263 1012592360 /nfs/dbraw/zinc/59/23/60/1012592360.db2.gz FWPABMCAGGNWEY-LJQANCHMSA-N 1 1 317.473 3.809 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC001206799283 1012679333 /nfs/dbraw/zinc/67/93/33/1012679333.db2.gz DBIKQGKLJUGDHH-ZDUSSCGKSA-N 1 1 301.459 3.980 20 30 DHEDMO N#Cc1cccc(CCC[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)c1 ZINC001208844422 1012687317 /nfs/dbraw/zinc/68/73/17/1012687317.db2.gz HOWJAROZVGYOGQ-OAHLLOKOSA-N 1 1 314.326 3.715 20 30 DHEDMO Cc1nsc(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1C#N ZINC000342816998 1012706830 /nfs/dbraw/zinc/70/68/30/1012706830.db2.gz KZTSXMCUKSLYTO-ZDUSSCGKSA-N 1 1 314.458 3.646 20 30 DHEDMO CO[C@H](Cc1ccccc1)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425539634 1012740332 /nfs/dbraw/zinc/74/03/32/1012740332.db2.gz UCUGVUMBWMXJGI-OXQOHEQNSA-N 1 1 308.425 3.809 20 30 DHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NCC(C)(C)CC#N)cc1 ZINC000457990645 1012777299 /nfs/dbraw/zinc/77/72/99/1012777299.db2.gz PYYCHNAVJLNNQB-UHFFFAOYSA-N 1 1 315.461 3.588 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+](C)[C@@H](CC)CSC)c1O ZINC000773253438 1032656851 /nfs/dbraw/zinc/65/68/51/1032656851.db2.gz AGTDQJYRAWPXJM-HNNXBMFYSA-N 1 1 309.475 3.703 20 30 DHEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cc(C#N)ccn1 ZINC000342882318 1012927945 /nfs/dbraw/zinc/92/79/45/1012927945.db2.gz LQYBECWJRSGNSK-GOSISDBHSA-N 1 1 308.429 3.522 20 30 DHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000336864542 1013017326 /nfs/dbraw/zinc/01/73/26/1013017326.db2.gz GYOGQLZLBDLBHI-FUHWJXTLSA-N 1 1 311.429 3.541 20 30 DHEDMO C=CCC[N@H+](C)[C@H](C)C(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000342743351 1017144355 /nfs/dbraw/zinc/14/43/55/1017144355.db2.gz ZYOAZNBNCYKIAJ-MRXNPFEDSA-N 1 1 314.429 3.825 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000347316264 1017199608 /nfs/dbraw/zinc/19/96/08/1017199608.db2.gz USCLOQWJXQYZAD-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000347316264 1017199615 /nfs/dbraw/zinc/19/96/15/1017199615.db2.gz USCLOQWJXQYZAD-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO C=CCCn1cc(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)nn1 ZINC000623752073 1017344936 /nfs/dbraw/zinc/34/49/36/1017344936.db2.gz YJSTZBKGUAEDDM-KRWDZBQOSA-N 1 1 316.836 3.675 20 30 DHEDMO C=C(Br)C[NH+]1CCC(Cc2ccc(OC)cc2)CC1 ZINC000303179779 1017375412 /nfs/dbraw/zinc/37/54/12/1017375412.db2.gz ZXORVPYWSKKUER-UHFFFAOYSA-N 1 1 324.262 3.858 20 30 DHEDMO C=C(CC)C[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000347331201 1017473360 /nfs/dbraw/zinc/47/33/60/1017473360.db2.gz JUCMCCMEOLLTLE-NSHDSACASA-N 1 1 303.328 3.668 20 30 DHEDMO C=C(CC)C[N@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000347331201 1017473367 /nfs/dbraw/zinc/47/33/67/1017473367.db2.gz JUCMCCMEOLLTLE-NSHDSACASA-N 1 1 303.328 3.668 20 30 DHEDMO C=CCN(CC=C)[C@H](C[NH2+][C@H](C)c1nc(C)cs1)C(C)C ZINC000623861187 1017539126 /nfs/dbraw/zinc/53/91/26/1017539126.db2.gz RKCDPXJORQQVSK-HZPDHXFCSA-N 1 1 307.507 3.801 20 30 DHEDMO N#Cc1ccsc1NC(=O)C[N@@H+](CC1CCCCC1)C1CC1 ZINC000053359869 1017543826 /nfs/dbraw/zinc/54/38/26/1017543826.db2.gz DDSPDAZXVOCGIP-UHFFFAOYSA-N 1 1 317.458 3.603 20 30 DHEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268620834 1017566677 /nfs/dbraw/zinc/56/66/77/1017566677.db2.gz NPGWSOLNDVEYKM-UGSOOPFHSA-N 1 1 314.816 3.938 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)N(CCC#N)C(C)C)cc1)C(C)C ZINC000523280658 1017594105 /nfs/dbraw/zinc/59/41/05/1017594105.db2.gz GJTUBCNBYRYXFG-UHFFFAOYSA-N 1 1 315.461 3.681 20 30 DHEDMO N#Cc1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1C(F)(F)F ZINC000166351226 1017663425 /nfs/dbraw/zinc/66/34/25/1017663425.db2.gz HHMRRZJBWUSARW-NSHDSACASA-N 1 1 320.318 3.684 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2nc(CC(F)(F)F)no2)CCCC1(C)C ZINC000444774277 1017670632 /nfs/dbraw/zinc/67/06/32/1017670632.db2.gz IGFSMVCNZQNMRZ-LLVKDONJSA-N 1 1 317.355 3.741 20 30 DHEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2c(F)cccc2F)CCCC1(C)C ZINC000444777387 1017673426 /nfs/dbraw/zinc/67/34/26/1017673426.db2.gz SALDTGRZDISTNV-OAHLLOKOSA-N 1 1 322.399 3.970 20 30 DHEDMO C=CC[C@H]1[N@H+](CC(=O)Nc2c(F)cccc2F)CCCC1(C)C ZINC000444777387 1017673428 /nfs/dbraw/zinc/67/34/28/1017673428.db2.gz SALDTGRZDISTNV-OAHLLOKOSA-N 1 1 322.399 3.970 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2cccc(C(=O)NC)c2)CCCC1(C)C ZINC000444777182 1017674745 /nfs/dbraw/zinc/67/47/45/1017674745.db2.gz DZNNHCDKJQQOHQ-KRWDZBQOSA-N 1 1 300.446 3.613 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2ccc(C(=O)NC)cc2)CCCC1(C)C ZINC000444790907 1017684302 /nfs/dbraw/zinc/68/43/02/1017684302.db2.gz LIWZPXRCCXBTKQ-QGZVFWFLSA-N 1 1 300.446 3.613 20 30 DHEDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000523451085 1017693374 /nfs/dbraw/zinc/69/33/74/1017693374.db2.gz QLFXSTUCSACXLA-AWEZNQCLSA-N 1 1 310.372 3.695 20 30 DHEDMO C=C(C)C[N@@H+](CC)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000524000375 1017849886 /nfs/dbraw/zinc/84/98/86/1017849886.db2.gz VSWGPQDBVJSCFK-UHFFFAOYSA-N 1 1 316.426 3.937 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000524000375 1017849905 /nfs/dbraw/zinc/84/99/05/1017849905.db2.gz VSWGPQDBVJSCFK-UHFFFAOYSA-N 1 1 316.426 3.937 20 30 DHEDMO C[C@H](CC#N)[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000161955866 1017897218 /nfs/dbraw/zinc/89/72/18/1017897218.db2.gz UEENVTWWBMLXOB-SNVBAGLBSA-N 1 1 314.216 3.556 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](Cc2cccc(C)c2Br)C1 ZINC001171491003 1032732396 /nfs/dbraw/zinc/73/23/96/1032732396.db2.gz RNMKSWZCUPNROO-AWEZNQCLSA-N 1 1 306.247 3.993 20 30 DHEDMO C[C@H](CC#N)[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000161955866 1017897198 /nfs/dbraw/zinc/89/71/98/1017897198.db2.gz UEENVTWWBMLXOB-SNVBAGLBSA-N 1 1 314.216 3.556 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000114469411 1018013562 /nfs/dbraw/zinc/01/35/62/1018013562.db2.gz NKHQGYFKAZPPOG-FQEVSTJZSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000114469411 1018013580 /nfs/dbraw/zinc/01/35/80/1018013580.db2.gz NKHQGYFKAZPPOG-FQEVSTJZSA-N 1 1 324.399 3.569 20 30 DHEDMO CC1(C)CCCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000446066307 1018044268 /nfs/dbraw/zinc/04/42/68/1018044268.db2.gz AIACVKXIOTUFEU-UHFFFAOYSA-N 1 1 310.401 3.620 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC000858011461 1032742908 /nfs/dbraw/zinc/74/29/08/1032742908.db2.gz OORCVEITDVNGLZ-GOSISDBHSA-N 1 1 324.424 3.608 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000858011463 1032740479 /nfs/dbraw/zinc/74/04/79/1032740479.db2.gz OORCVEITDVNGLZ-SFHVURJKSA-N 1 1 324.424 3.608 20 30 DHEDMO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H](C)N1CC(F)(F)F ZINC000934790792 1018067126 /nfs/dbraw/zinc/06/71/26/1018067126.db2.gz FOHOLROOWFAJBS-OKILXGFUSA-N 1 1 319.415 3.663 20 30 DHEDMO CC(C)Cc1ncc(C[NH2+]Cc2ccc(C#N)cc2F)s1 ZINC000178789315 1018092516 /nfs/dbraw/zinc/09/25/16/1018092516.db2.gz KWDCLZMFLRTZJP-UHFFFAOYSA-N 1 1 303.406 3.642 20 30 DHEDMO CC(C)(C)OC(=O)c1ccc(C[N@H+](CCC#N)CC2CC2)cc1 ZINC000154257691 1018137936 /nfs/dbraw/zinc/13/79/36/1018137936.db2.gz VDJKPRIIYLVWRZ-UHFFFAOYSA-N 1 1 314.429 3.768 20 30 DHEDMO CC(C)(C)OC(=O)c1ccc(C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000154257691 1018137941 /nfs/dbraw/zinc/13/79/41/1018137941.db2.gz VDJKPRIIYLVWRZ-UHFFFAOYSA-N 1 1 314.429 3.768 20 30 DHEDMO C=CCC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000427459713 1018148797 /nfs/dbraw/zinc/14/87/97/1018148797.db2.gz SEXWLMNIKXHBBE-IEBWSBKVSA-N 1 1 314.473 3.537 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@H]1CCc3cc(F)c(F)cc3C1)C2 ZINC001171476483 1032746447 /nfs/dbraw/zinc/74/64/47/1032746447.db2.gz MGDDDAIJVDYICC-SFHVURJKSA-N 1 1 324.374 3.752 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171543662 1032757417 /nfs/dbraw/zinc/75/74/17/1032757417.db2.gz MRBIDZZRYBRCRI-DEQVHRJGSA-N 1 1 320.358 3.728 20 30 DHEDMO C[C@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)[C@@H](c2ccco2)C1 ZINC000245684770 1018304160 /nfs/dbraw/zinc/30/41/60/1018304160.db2.gz AIYIEMKBXOAKAJ-WMLDXEAASA-N 1 1 320.396 3.772 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@@H](c2ccco2)C1 ZINC000245684770 1018304173 /nfs/dbraw/zinc/30/41/73/1018304173.db2.gz AIYIEMKBXOAKAJ-WMLDXEAASA-N 1 1 320.396 3.772 20 30 DHEDMO C[C@H]1CC(=NOCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000764834445 1018387207 /nfs/dbraw/zinc/38/72/07/1018387207.db2.gz CHDCESRXELBBSD-LBPRGKRZSA-N 1 1 300.324 3.606 20 30 DHEDMO C[C@@H](C1CCCCC1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000447395574 1018388600 /nfs/dbraw/zinc/38/86/00/1018388600.db2.gz KBMIUUAQLVWGDM-HNNXBMFYSA-N 1 1 313.445 3.787 20 30 DHEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC)c1 ZINC000766120134 1018416304 /nfs/dbraw/zinc/41/63/04/1018416304.db2.gz JKHPXDALUJLZIY-HXUWFJFHSA-N 1 1 311.425 3.807 20 30 DHEDMO C=CCOc1cccc(C[NH2+][C@@H](COC)c2ccc(CC)o2)c1 ZINC000174476207 1018433924 /nfs/dbraw/zinc/43/39/24/1018433924.db2.gz FXWJJTOXDIMJAP-SFHVURJKSA-N 1 1 315.413 3.884 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000246321314 1018447690 /nfs/dbraw/zinc/44/76/90/1018447690.db2.gz WZPYVNAIRAVUKF-DNVCBOLYSA-N 1 1 323.415 3.622 20 30 DHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000246321314 1018447697 /nfs/dbraw/zinc/44/76/97/1018447697.db2.gz WZPYVNAIRAVUKF-DNVCBOLYSA-N 1 1 323.415 3.622 20 30 DHEDMO CC(C)c1ccc2ncc(C#N)c(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2c1 ZINC000447691138 1018456340 /nfs/dbraw/zinc/45/63/40/1018456340.db2.gz OOYGAMPVAYOZEZ-YOEHRIQHSA-N 1 1 322.456 3.546 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000343257310 1018511528 /nfs/dbraw/zinc/51/15/28/1018511528.db2.gz FDIVZCBPVRONOD-FUHWJXTLSA-N 1 1 300.446 3.512 20 30 DHEDMO CC1CCC(O)(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000448122040 1018542841 /nfs/dbraw/zinc/54/28/41/1018542841.db2.gz KZZUENQQAJNLTM-BUGOSIMFSA-N 1 1 312.457 3.699 20 30 DHEDMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)CCC(C)(C)C#N ZINC000527299433 1018544521 /nfs/dbraw/zinc/54/45/21/1018544521.db2.gz RWZPEZLYFJUUFD-UHFFFAOYSA-N 1 1 314.351 3.956 20 30 DHEDMO Cc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)[nH+]c1 ZINC000157460263 1018643293 /nfs/dbraw/zinc/64/32/93/1018643293.db2.gz KJKRUUMGSRPNAF-UHFFFAOYSA-N 1 1 317.396 3.779 20 30 DHEDMO CCC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000246614791 1018656415 /nfs/dbraw/zinc/65/64/15/1018656415.db2.gz RMLTWOUIKYFJPC-HIFRSBDPSA-N 1 1 317.433 3.607 20 30 DHEDMO CCC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000246614791 1018656417 /nfs/dbraw/zinc/65/64/17/1018656417.db2.gz RMLTWOUIKYFJPC-HIFRSBDPSA-N 1 1 317.433 3.607 20 30 DHEDMO C=CCC[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccco1 ZINC000278480891 1018730942 /nfs/dbraw/zinc/73/09/42/1018730942.db2.gz ANQNGYOMSKNQLC-LBPRGKRZSA-N 1 1 313.323 3.829 20 30 DHEDMO CC[N@@H+](CCCSCCOC)[C@H](C)c1ccc(C#N)cc1 ZINC000278482486 1018733643 /nfs/dbraw/zinc/73/36/43/1018733643.db2.gz IBCTXFRGRFXMQA-OAHLLOKOSA-N 1 1 306.475 3.711 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000057847896 1018739820 /nfs/dbraw/zinc/73/98/20/1018739820.db2.gz ZPFROYRXGIAWER-OAHLLOKOSA-N 1 1 318.486 3.802 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000057847896 1018739834 /nfs/dbraw/zinc/73/98/34/1018739834.db2.gz ZPFROYRXGIAWER-OAHLLOKOSA-N 1 1 318.486 3.802 20 30 DHEDMO C=C[C@@H](CC(=O)NCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000536160186 1018754184 /nfs/dbraw/zinc/75/41/84/1018754184.db2.gz GCIIEPQULSDKEF-KRWDZBQOSA-N 1 1 314.473 3.727 20 30 DHEDMO Fc1ccc(C#CC[N@@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000676558235 1018772571 /nfs/dbraw/zinc/77/25/71/1018772571.db2.gz IAUKPPVPKGBZHF-HXUWFJFHSA-N 1 1 309.384 3.641 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000676558235 1018772576 /nfs/dbraw/zinc/77/25/76/1018772576.db2.gz IAUKPPVPKGBZHF-HXUWFJFHSA-N 1 1 309.384 3.641 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000158385511 1018799109 /nfs/dbraw/zinc/79/91/09/1018799109.db2.gz PPHAFASDESKTMO-INIZCTEOSA-N 1 1 304.482 3.764 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@H](C)c1cccs1)Cc1ccccc1 ZINC000248383092 1018899744 /nfs/dbraw/zinc/89/97/44/1018899744.db2.gz ZFBZNKFXGNWKSO-OAHLLOKOSA-N 1 1 314.454 3.614 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1cccs1)Cc1ccccc1 ZINC000248383092 1018899761 /nfs/dbraw/zinc/89/97/61/1018899761.db2.gz ZFBZNKFXGNWKSO-OAHLLOKOSA-N 1 1 314.454 3.614 20 30 DHEDMO Cc1cc(F)c(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)c(F)c1 ZINC000922947119 1018930638 /nfs/dbraw/zinc/93/06/38/1018930638.db2.gz QNZYYDRQRKNPNV-CYBMUJFWSA-N 1 1 316.351 3.854 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H](c4ccccn4)C3)cc2)CC1 ZINC000825768140 1032799942 /nfs/dbraw/zinc/79/99/42/1032799942.db2.gz BRWCGKARJARIIZ-KRWDZBQOSA-N 1 1 303.409 3.626 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@@H+](C3CC3)C3CCCC3)o2)cc1 ZINC000075718720 1019045506 /nfs/dbraw/zinc/04/55/06/1019045506.db2.gz NAFXVSMSSBXZLJ-UHFFFAOYSA-N 1 1 308.385 3.515 20 30 DHEDMO CC[N@H+](CCC#N)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000081040533 1019143468 /nfs/dbraw/zinc/14/34/68/1019143468.db2.gz FJSMJLREZCVMFF-UHFFFAOYSA-N 1 1 314.216 3.558 20 30 DHEDMO CC[N@@H+](CCC#N)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000081040533 1019143495 /nfs/dbraw/zinc/14/34/95/1019143495.db2.gz FJSMJLREZCVMFF-UHFFFAOYSA-N 1 1 314.216 3.558 20 30 DHEDMO CC[C@H](C)[C@@H](C)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000112600392 1019144956 /nfs/dbraw/zinc/14/49/56/1019144956.db2.gz YGJZBIBPIJOLTG-LSDHHAIUSA-N 1 1 313.445 3.786 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(C#N)CCC2)cc1 ZINC000265581504 1019156444 /nfs/dbraw/zinc/15/64/44/1019156444.db2.gz IVUKYCVWRKBDFA-HNNXBMFYSA-N 1 1 311.429 3.693 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@@H](CO)C(C)(C)C)cc1 ZINC001168559762 1019160260 /nfs/dbraw/zinc/16/02/60/1019160260.db2.gz OWXONRZAPDMFTG-ROUUACIJSA-N 1 1 302.462 3.828 20 30 DHEDMO C=CCOc1ccc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000666998496 1032814539 /nfs/dbraw/zinc/81/45/39/1032814539.db2.gz XBBPQQJBACNADJ-OAHLLOKOSA-N 1 1 320.864 3.669 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000077248529 1019268902 /nfs/dbraw/zinc/26/89/02/1019268902.db2.gz IUCWXIYIROFXFM-GOSISDBHSA-N 1 1 322.408 3.565 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c(F)c1 ZINC000077381652 1019298743 /nfs/dbraw/zinc/29/87/43/1019298743.db2.gz XFEJYRHIHMFWAG-KRWDZBQOSA-N 1 1 324.355 3.763 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c(F)c1 ZINC000077381652 1019298749 /nfs/dbraw/zinc/29/87/49/1019298749.db2.gz XFEJYRHIHMFWAG-KRWDZBQOSA-N 1 1 324.355 3.763 20 30 DHEDMO CC1(C)C[C@H](NCc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000611182799 1019407815 /nfs/dbraw/zinc/40/78/15/1019407815.db2.gz PVOOSTBLWZWIDS-FQEVSTJZSA-N 1 1 319.452 3.701 20 30 DHEDMO CC1(C)C[C@H](NCc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000611182799 1019407824 /nfs/dbraw/zinc/40/78/24/1019407824.db2.gz PVOOSTBLWZWIDS-FQEVSTJZSA-N 1 1 319.452 3.701 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+](CC(C)C)C(C)C)c1C#N ZINC000611346165 1019454017 /nfs/dbraw/zinc/45/40/17/1019454017.db2.gz RXZUSZUANKRWEV-UHFFFAOYSA-N 1 1 310.445 3.919 20 30 DHEDMO C[C@H]([NH2+]Cc1ccn(-c2cccc(F)c2)n1)c1ccc(C#N)cc1 ZINC000611381768 1019459813 /nfs/dbraw/zinc/45/98/13/1019459813.db2.gz IHCQDBQRNAWZDF-AWEZNQCLSA-N 1 1 320.371 3.734 20 30 DHEDMO COC(=O)c1oc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1C ZINC000611386090 1019462299 /nfs/dbraw/zinc/46/22/99/1019462299.db2.gz CGIOKBONJPNZAQ-CHWSQXEVSA-N 1 1 312.369 3.658 20 30 DHEDMO CCCC[NH+]1CCC(N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392574 1019466506 /nfs/dbraw/zinc/46/65/06/1019466506.db2.gz WMFOCVGGZBPXRN-HXUWFJFHSA-N 1 1 311.473 3.790 20 30 DHEDMO CCCCN1CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392574 1019466515 /nfs/dbraw/zinc/46/65/15/1019466515.db2.gz WMFOCVGGZBPXRN-HXUWFJFHSA-N 1 1 311.473 3.790 20 30 DHEDMO CN(C)CC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)C(C)(C)C ZINC000611393555 1019468629 /nfs/dbraw/zinc/46/86/29/1019468629.db2.gz WUWABRPVDHMLGU-MOPGFXCFSA-N 1 1 313.489 3.892 20 30 DHEDMO CC1CC[NH+](CCCN[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390371 1019475021 /nfs/dbraw/zinc/47/50/21/1019475021.db2.gz WNVJZPHCMRKLBN-FQEVSTJZSA-N 1 1 311.473 3.647 20 30 DHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000611554787 1019514043 /nfs/dbraw/zinc/51/40/43/1019514043.db2.gz ZCBROHMSEDKZDQ-MFKMUULPSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000611554787 1019514046 /nfs/dbraw/zinc/51/40/46/1019514046.db2.gz ZCBROHMSEDKZDQ-MFKMUULPSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000611554241 1019515139 /nfs/dbraw/zinc/51/51/39/1019515139.db2.gz JGMOWDNNCHFZFS-TZMCWYRMSA-N 1 1 321.346 3.974 20 30 DHEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cn2ccccc2c1C#N ZINC000611554241 1019515149 /nfs/dbraw/zinc/51/51/49/1019515149.db2.gz JGMOWDNNCHFZFS-TZMCWYRMSA-N 1 1 321.346 3.974 20 30 DHEDMO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000091897597 1019548981 /nfs/dbraw/zinc/54/89/81/1019548981.db2.gz MUZQPWREOIARFH-INIZCTEOSA-N 1 1 322.437 3.777 20 30 DHEDMO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000091897597 1019548988 /nfs/dbraw/zinc/54/89/88/1019548988.db2.gz MUZQPWREOIARFH-INIZCTEOSA-N 1 1 322.437 3.777 20 30 DHEDMO C=CC[N@H+](CCCC(=O)Nc1c(C)cc(C)cc1C)C1CC1 ZINC000271491525 1019550032 /nfs/dbraw/zinc/55/00/32/1019550032.db2.gz UMZUBSFAKILRRC-UHFFFAOYSA-N 1 1 300.446 3.981 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000186184670 1019607641 /nfs/dbraw/zinc/60/76/41/1019607641.db2.gz YLXYIVHJBUWTCM-UHFFFAOYSA-N 1 1 301.393 3.903 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000487521088 1032843982 /nfs/dbraw/zinc/84/39/82/1032843982.db2.gz UYGZUKCOXNJATG-CQSZACIVSA-N 1 1 308.381 3.522 20 30 DHEDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[C@@H]1C ZINC000347578541 1019719098 /nfs/dbraw/zinc/71/90/98/1019719098.db2.gz ILMOXYJGMOHRMC-STQMWFEESA-N 1 1 319.836 3.518 20 30 DHEDMO C[N@H+](CCOc1ccccc1F)Cc1ccc(Cl)cc1C#N ZINC000480502137 1019727137 /nfs/dbraw/zinc/72/71/37/1019727137.db2.gz VFFNDSRJNBOJCR-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[N@@H+](CCOc1ccccc1F)Cc1ccc(Cl)cc1C#N ZINC000480502137 1019727152 /nfs/dbraw/zinc/72/71/52/1019727152.db2.gz VFFNDSRJNBOJCR-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000336845328 1032850189 /nfs/dbraw/zinc/85/01/89/1032850189.db2.gz KOAAENRWLDMHDC-HOTGVXAUSA-N 1 1 310.507 3.693 20 30 DHEDMO N#Cc1cccc(CNCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000011096025 1019750020 /nfs/dbraw/zinc/75/00/20/1019750020.db2.gz JSEQVAFCNHCYHU-UHFFFAOYSA-N 1 1 319.452 3.834 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000685464463 1019849080 /nfs/dbraw/zinc/84/90/80/1019849080.db2.gz JKNVROITOAVGAE-MSOLQXFVSA-N 1 1 315.457 3.890 20 30 DHEDMO Cn1cc(C[NH2+]CC2(C#N)CCCCC2)c(C2CCCC2)n1 ZINC000922250059 1019931157 /nfs/dbraw/zinc/93/11/57/1019931157.db2.gz NCQDBJHKCQIGGN-UHFFFAOYSA-N 1 1 300.450 3.641 20 30 DHEDMO C[C@H]1C[C@@H](N(CC#N)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001171759398 1032864204 /nfs/dbraw/zinc/86/42/04/1032864204.db2.gz JHYKGVAYSSQLFS-GHTZIAJQSA-N 1 1 319.452 3.675 20 30 DHEDMO CCC[N@@H+](CCCOc1ccc(C#N)cc1)C[C@H]1CCCCO1 ZINC000730261278 1019969287 /nfs/dbraw/zinc/96/92/87/1019969287.db2.gz GJQFPNOJCWWYSC-LJQANCHMSA-N 1 1 316.445 3.608 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@H]1Cc3cccc(Cl)c3C1)C2 ZINC001168721672 1019974447 /nfs/dbraw/zinc/97/44/47/1019974447.db2.gz QSLDBDSCZCXLCQ-KRWDZBQOSA-N 1 1 308.812 3.737 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c(Cl)c1 ZINC000318125782 1020028115 /nfs/dbraw/zinc/02/81/15/1020028115.db2.gz MQKWEVKPQPNTJR-JQHSSLGASA-N 1 1 318.848 3.727 20 30 DHEDMO N#Cc1csc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000092034432 1020070266 /nfs/dbraw/zinc/07/02/66/1020070266.db2.gz YUGRCRXWZYJRKF-UHFFFAOYSA-N 1 1 323.421 3.535 20 30 DHEDMO C=C(C)COC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000731256548 1020086119 /nfs/dbraw/zinc/08/61/19/1020086119.db2.gz MHDIGKPVAAJCOE-INIZCTEOSA-N 1 1 317.429 3.673 20 30 DHEDMO CC(C)(C#N)c1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)cc1 ZINC000922576733 1020137442 /nfs/dbraw/zinc/13/74/42/1020137442.db2.gz FBHRXNJAQLIOJG-KRWDZBQOSA-N 1 1 306.413 3.519 20 30 DHEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1Cc1cccc(C#N)c1 ZINC000731891718 1020164996 /nfs/dbraw/zinc/16/49/96/1020164996.db2.gz CMLZENYMUSWIBC-GUXCAODWSA-N 1 1 306.409 3.909 20 30 DHEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1cccc(C#N)c1 ZINC000731891718 1020164999 /nfs/dbraw/zinc/16/49/99/1020164999.db2.gz CMLZENYMUSWIBC-GUXCAODWSA-N 1 1 306.409 3.909 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OC)c(C#N)c2)cc1 ZINC000155166322 1020195610 /nfs/dbraw/zinc/19/56/10/1020195610.db2.gz XJJUYXWXIKRHKQ-IBGZPJMESA-N 1 1 322.408 3.913 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(OC)c(C#N)c2)cc1 ZINC000155166426 1020196150 /nfs/dbraw/zinc/19/61/50/1020196150.db2.gz XJJUYXWXIKRHKQ-LJQANCHMSA-N 1 1 322.408 3.913 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000186312051 1020226074 /nfs/dbraw/zinc/22/60/74/1020226074.db2.gz MHEXKBDJRQXNLK-NRFANRHFSA-N 1 1 318.420 3.541 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000186310158 1020226434 /nfs/dbraw/zinc/22/64/34/1020226434.db2.gz BQYGMAPAIARJJC-UHFFFAOYSA-N 1 1 321.380 3.940 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000186310158 1020226445 /nfs/dbraw/zinc/22/64/45/1020226445.db2.gz BQYGMAPAIARJJC-UHFFFAOYSA-N 1 1 321.380 3.940 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000922701785 1020228161 /nfs/dbraw/zinc/22/81/61/1020228161.db2.gz QKCQJNYDRBBQMS-UHFFFAOYSA-N 1 1 314.454 3.877 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC000186324356 1020240165 /nfs/dbraw/zinc/24/01/65/1020240165.db2.gz KKNUTWNDPSFMNY-UHFFFAOYSA-N 1 1 308.425 3.640 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3c3cccc(F)c3)n2c1 ZINC000153504076 1020318541 /nfs/dbraw/zinc/31/85/41/1020318541.db2.gz ZDDCAYVAOJYNHX-SFHVURJKSA-N 1 1 320.371 3.682 20 30 DHEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3c3cccc(F)c3)n2c1 ZINC000153504076 1020318551 /nfs/dbraw/zinc/31/85/51/1020318551.db2.gz ZDDCAYVAOJYNHX-SFHVURJKSA-N 1 1 320.371 3.682 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1nc(C)c2ccccc2n1 ZINC000921655622 1020321965 /nfs/dbraw/zinc/32/19/65/1020321965.db2.gz OOMFNSRLFKPJEO-UHFFFAOYSA-N 1 1 316.408 3.717 20 30 DHEDMO C=CCCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000338671176 1020326908 /nfs/dbraw/zinc/32/69/08/1020326908.db2.gz AEENLTDRQBLJOE-MRXNPFEDSA-N 1 1 300.446 3.501 20 30 DHEDMO CC(C)COC1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929319853 1020328307 /nfs/dbraw/zinc/32/83/07/1020328307.db2.gz PIDOXGMXEDIZIN-UHFFFAOYSA-N 1 1 306.837 3.849 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2ccc(F)nc2)cc1 ZINC000186416771 1020360466 /nfs/dbraw/zinc/36/04/66/1020360466.db2.gz WPBXGTNVRAXSJZ-KRXBUXKQSA-N 1 1 307.328 3.611 20 30 DHEDMO CC(C)n1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001203159512 1020378521 /nfs/dbraw/zinc/37/85/21/1020378521.db2.gz NYUZIWBQKPJEEO-UHFFFAOYSA-N 1 1 300.431 3.734 20 30 DHEDMO C=CCCCCCCCC(=O)N1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001273089691 1020416536 /nfs/dbraw/zinc/41/65/36/1020416536.db2.gz XVYYBLXTZXCTAU-HDICACEKSA-N 1 1 306.494 3.703 20 30 DHEDMO CC(C)(C)OCCCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000354736086 1020460600 /nfs/dbraw/zinc/46/06/00/1020460600.db2.gz QOOLWEROYGEWSM-GOSISDBHSA-N 1 1 316.445 3.527 20 30 DHEDMO CC(C)(C)OCCCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000354736086 1020460615 /nfs/dbraw/zinc/46/06/15/1020460615.db2.gz QOOLWEROYGEWSM-GOSISDBHSA-N 1 1 316.445 3.527 20 30 DHEDMO C=CCOCCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000348025648 1020480354 /nfs/dbraw/zinc/48/03/54/1020480354.db2.gz COICNKVBNKAGJD-QUCCMNQESA-N 1 1 316.489 3.564 20 30 DHEDMO C=CCOCCC[N@@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000348045056 1020489861 /nfs/dbraw/zinc/48/98/61/1020489861.db2.gz CGESFKISJWGASQ-MRXNPFEDSA-N 1 1 313.445 3.643 20 30 DHEDMO C=CCOCCC[N@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000348045056 1020489870 /nfs/dbraw/zinc/48/98/70/1020489870.db2.gz CGESFKISJWGASQ-MRXNPFEDSA-N 1 1 313.445 3.643 20 30 DHEDMO C=CCOCCC[N@@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000348045056 1020489876 /nfs/dbraw/zinc/48/98/76/1020489876.db2.gz CGESFKISJWGASQ-MRXNPFEDSA-N 1 1 313.445 3.643 20 30 DHEDMO CC(C)(C#N)C[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227854878 1020582665 /nfs/dbraw/zinc/58/26/65/1020582665.db2.gz DDUSPKPSJRKVSR-UHFFFAOYSA-N 1 1 307.644 3.803 20 30 DHEDMO C=CC[C@@H](C)[N@@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC001171911854 1032916390 /nfs/dbraw/zinc/91/63/90/1032916390.db2.gz ZIBIWRZFRPLZAZ-RHSMWYFYSA-N 1 1 301.430 3.892 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1ccc(F)cn1 ZINC000734364827 1020595214 /nfs/dbraw/zinc/59/52/14/1020595214.db2.gz HTIYXXLCYZHTPN-CQSZACIVSA-N 1 1 312.392 3.531 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000303738174 1020596061 /nfs/dbraw/zinc/59/60/61/1020596061.db2.gz HJKWFGCEZFJGMY-QGZVFWFLSA-N 1 1 316.445 3.706 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC001171906013 1032917976 /nfs/dbraw/zinc/91/79/76/1032917976.db2.gz GPUXMUPTDCLWPK-UHFFFAOYSA-N 1 1 320.436 3.903 20 30 DHEDMO CSc1cc(Br)ccc1C[NH2+]CC(C)(C)C#N ZINC000612585661 1020632603 /nfs/dbraw/zinc/63/26/03/1020632603.db2.gz OJESGNOYQQUZNW-UHFFFAOYSA-N 1 1 313.264 3.810 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(Br)c1C)[C@H](C)COC ZINC001171915337 1032915119 /nfs/dbraw/zinc/91/51/19/1032915119.db2.gz CRQVRMCOCHHSFJ-GFCCVEGCSA-N 1 1 312.251 3.780 20 30 DHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1cccc2[nH]ccc21 ZINC000337229324 1032923158 /nfs/dbraw/zinc/92/31/58/1032923158.db2.gz HOHYPNDLTVEGHP-UHFFFAOYSA-N 1 1 311.429 3.700 20 30 DHEDMO CC(C)OC1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735309120 1020715859 /nfs/dbraw/zinc/71/58/59/1020715859.db2.gz GJMRIFPPKZYZRS-UHFFFAOYSA-N 1 1 322.836 3.632 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1c(C)nn(C)c1Cl ZINC000066155754 1020730729 /nfs/dbraw/zinc/73/07/29/1020730729.db2.gz KOUPNNSMZVNTAY-UHFFFAOYSA-N 1 1 303.837 3.613 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1c(C)nn(C)c1Cl ZINC000066155754 1020730735 /nfs/dbraw/zinc/73/07/35/1020730735.db2.gz KOUPNNSMZVNTAY-UHFFFAOYSA-N 1 1 303.837 3.613 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000580009219 1020798013 /nfs/dbraw/zinc/79/80/13/1020798013.db2.gz AEFJWHYUJROTGT-OXQOHEQNSA-N 1 1 317.436 3.756 20 30 DHEDMO CSCC[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000736318441 1020807659 /nfs/dbraw/zinc/80/76/59/1020807659.db2.gz JEXMFBSLRAFMCM-LBPRGKRZSA-N 1 1 312.866 3.816 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](CC)c2ccc(F)cc2)c1 ZINC000738305433 1020872693 /nfs/dbraw/zinc/87/26/93/1020872693.db2.gz QKNCSYBYMUZGMT-LJQANCHMSA-N 1 1 324.399 3.829 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](CC)c2ccc(F)cc2)c1 ZINC000738305433 1020872700 /nfs/dbraw/zinc/87/27/00/1020872700.db2.gz QKNCSYBYMUZGMT-LJQANCHMSA-N 1 1 324.399 3.829 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000739912116 1020922963 /nfs/dbraw/zinc/92/29/63/1020922963.db2.gz FTOUFWRMZYDOQB-HZPDHXFCSA-N 1 1 308.466 3.674 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000739912117 1020923362 /nfs/dbraw/zinc/92/33/62/1020923362.db2.gz FTOUFWRMZYDOQB-JKSUJKDBSA-N 1 1 308.466 3.674 20 30 DHEDMO C=C(Cl)C[N@H+](C)CCOc1ccc(Br)cc1 ZINC000740177365 1020928726 /nfs/dbraw/zinc/92/87/26/1020928726.db2.gz PYGZQFMSGOJRJF-UHFFFAOYSA-N 1 1 304.615 3.512 20 30 DHEDMO C=C(Cl)C[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000740177365 1020928730 /nfs/dbraw/zinc/92/87/30/1020928730.db2.gz PYGZQFMSGOJRJF-UHFFFAOYSA-N 1 1 304.615 3.512 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)CCC(=O)Nc1ccccc1Cl ZINC000740424027 1020935510 /nfs/dbraw/zinc/93/55/10/1020935510.db2.gz ZTOGNQZITMRTCV-UHFFFAOYSA-N 1 1 307.825 3.540 20 30 DHEDMO C[N@@H+](CCCC(C)(C)C#N)C1CCN(Cc2ccccc2)CC1 ZINC000174861995 1021005921 /nfs/dbraw/zinc/00/59/21/1021005921.db2.gz ODBBUVBTPAVOQZ-UHFFFAOYSA-N 1 1 313.489 3.913 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000829784035 1021035863 /nfs/dbraw/zinc/03/58/63/1021035863.db2.gz FAJDMINRTHLMGP-ZDUSSCGKSA-N 1 1 315.804 3.625 20 30 DHEDMO CCC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1O ZINC000264520642 1032950786 /nfs/dbraw/zinc/95/07/86/1032950786.db2.gz AEPANJHUQUVJLV-UHFFFAOYSA-N 1 1 310.397 3.707 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c(C#N)c1 ZINC001137704671 1021061906 /nfs/dbraw/zinc/06/19/06/1021061906.db2.gz PJZCMOQOGYLGBT-MRXNPFEDSA-N 1 1 310.372 3.695 20 30 DHEDMO COc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)c(Cl)c1 ZINC000742380596 1021108287 /nfs/dbraw/zinc/10/82/87/1021108287.db2.gz HEMMNEZZTUSEFV-UHFFFAOYSA-N 1 1 304.752 3.649 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000264544794 1032958186 /nfs/dbraw/zinc/95/81/86/1032958186.db2.gz JDADRBHTOONNCJ-KRWDZBQOSA-N 1 1 310.372 3.718 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)C(C)C ZINC000917168100 1021205751 /nfs/dbraw/zinc/20/57/51/1021205751.db2.gz MIQCAOHVKBWJCM-CQSZACIVSA-N 1 1 308.853 3.756 20 30 DHEDMO COc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1F ZINC000120144138 1021244372 /nfs/dbraw/zinc/24/43/72/1021244372.db2.gz APESBAAFNKLRHT-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO C=CCCCCC[N@H+](C)CN1C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000743372228 1021271040 /nfs/dbraw/zinc/27/10/40/1021271040.db2.gz ZQIFPTRKUDOIKS-AEFFLSMTSA-N 1 1 300.446 3.842 20 30 DHEDMO C=CC[N@@H+](Cn1ccn(-c2cccc(OC)c2)c1=S)C(C)C ZINC000917481096 1021273811 /nfs/dbraw/zinc/27/38/11/1021273811.db2.gz AWXCKMUOVUXONO-UHFFFAOYSA-N 1 1 317.458 3.871 20 30 DHEDMO C=CC[N@H+](Cn1ccn(-c2cccc(OC)c2)c1=S)C(C)C ZINC000917481096 1021273819 /nfs/dbraw/zinc/27/38/19/1021273819.db2.gz AWXCKMUOVUXONO-UHFFFAOYSA-N 1 1 317.458 3.871 20 30 DHEDMO C=CC[N@H+](Cc1c(O)c(C(=O)OC)cc2ccccc21)C(C)C ZINC000917481662 1021274351 /nfs/dbraw/zinc/27/43/51/1021274351.db2.gz UFCGOIOQSYTPAR-UHFFFAOYSA-N 1 1 313.397 3.728 20 30 DHEDMO C#CC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172057613 1032970697 /nfs/dbraw/zinc/97/06/97/1032970697.db2.gz JZTAAVSLNCLZCH-INIZCTEOSA-N 1 1 320.477 3.654 20 30 DHEDMO Cc1nccc([C@@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000618275956 1021342285 /nfs/dbraw/zinc/34/22/85/1021342285.db2.gz VVQAYCUZXCBKKN-MRXNPFEDSA-N 1 1 300.450 3.685 20 30 DHEDMO COc1ccccc1OCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000189219552 1021352923 /nfs/dbraw/zinc/35/29/23/1021352923.db2.gz AFSCWQSSERYFMH-HNNXBMFYSA-N 1 1 310.397 3.639 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(C#C)cc1 ZINC001202475499 1021362194 /nfs/dbraw/zinc/36/21/94/1021362194.db2.gz XFCCUZTXXCBCBC-UHFFFAOYSA-N 1 1 309.796 3.623 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H](O)c1ccc(F)cc1F ZINC000918025885 1021423026 /nfs/dbraw/zinc/42/30/26/1021423026.db2.gz NTLMGTWYEFLIBN-SFHVURJKSA-N 1 1 321.342 3.826 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)c1ccc(F)cc1F ZINC000918025885 1021423029 /nfs/dbraw/zinc/42/30/29/1021423029.db2.gz NTLMGTWYEFLIBN-SFHVURJKSA-N 1 1 321.342 3.826 20 30 DHEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000189741883 1021435726 /nfs/dbraw/zinc/43/57/26/1021435726.db2.gz ZHJNKDBPRZLZOZ-HXUWFJFHSA-N 1 1 308.425 3.721 20 30 DHEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC000618658402 1021469180 /nfs/dbraw/zinc/46/91/80/1021469180.db2.gz WUIXQHRBLDCKMD-INIZCTEOSA-N 1 1 304.478 3.646 20 30 DHEDMO N#C[C@@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172074900 1032982879 /nfs/dbraw/zinc/98/28/79/1032982879.db2.gz MQNTVOGAWYPRPF-BURNTYAHSA-N 1 1 323.484 3.808 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1nc2c(s1)CCCC2 ZINC000618742126 1021501632 /nfs/dbraw/zinc/50/16/32/1021501632.db2.gz QNRMIHJTZALDNR-HNNXBMFYSA-N 1 1 309.438 3.671 20 30 DHEDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC000618753916 1021515944 /nfs/dbraw/zinc/51/59/44/1021515944.db2.gz AKEBWROLMIRWCZ-FQEVSTJZSA-N 1 1 308.425 3.640 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C2(C)CCCC2)c1C#N ZINC000618779857 1021520474 /nfs/dbraw/zinc/52/04/74/1021520474.db2.gz UDBHRTLQINPPMS-UHFFFAOYSA-N 1 1 308.429 3.817 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)C2(C)CCCC2)c1C#N ZINC000618779857 1021520488 /nfs/dbraw/zinc/52/04/88/1021520488.db2.gz UDBHRTLQINPPMS-UHFFFAOYSA-N 1 1 308.429 3.817 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C)c2)c1 ZINC000744389174 1021526374 /nfs/dbraw/zinc/52/63/74/1021526374.db2.gz MVEKIYVMFGWSKQ-MRXNPFEDSA-N 1 1 306.409 3.608 20 30 DHEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(C(F)F)nc1 ZINC000850445000 1021539961 /nfs/dbraw/zinc/53/99/61/1021539961.db2.gz MXTZUTBRNHMCQZ-JTQLQIEISA-N 1 1 305.303 3.881 20 30 DHEDMO CC[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@@H](C)C#N ZINC000064248892 1021577752 /nfs/dbraw/zinc/57/77/52/1021577752.db2.gz TVLLMPUUWWDOSB-LBPRGKRZSA-N 1 1 300.324 3.609 20 30 DHEDMO CC[N@H+](Cc1cccc(OCC(F)(F)F)c1)C[C@@H](C)C#N ZINC000064248892 1021577763 /nfs/dbraw/zinc/57/77/63/1021577763.db2.gz TVLLMPUUWWDOSB-LBPRGKRZSA-N 1 1 300.324 3.609 20 30 DHEDMO CCCCCCCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC001167717373 1021721893 /nfs/dbraw/zinc/72/18/93/1021721893.db2.gz OUAFEMCGZVISMX-SFHVURJKSA-N 1 1 303.446 3.947 20 30 DHEDMO CCCCCCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC001167717373 1021721909 /nfs/dbraw/zinc/72/19/09/1021721909.db2.gz OUAFEMCGZVISMX-SFHVURJKSA-N 1 1 303.446 3.947 20 30 DHEDMO CCCCCCC[C@@H](C)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000745702943 1021767726 /nfs/dbraw/zinc/76/77/26/1021767726.db2.gz GDLHUQSZGNBVQA-KURKYZTESA-N 1 1 323.525 3.861 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000644659203 1021797844 /nfs/dbraw/zinc/79/78/44/1021797844.db2.gz XGJZUJKBPUXQGJ-QGZVFWFLSA-N 1 1 314.473 3.712 20 30 DHEDMO COc1cc(C[N@H+]2CCS[C@H](c3ccccc3)C2)ccc1C#N ZINC000619674489 1021825374 /nfs/dbraw/zinc/82/53/74/1021825374.db2.gz PYIMSITYNMEGAG-IBGZPJMESA-N 1 1 324.449 3.857 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)ccc1C#N ZINC000619674372 1021825678 /nfs/dbraw/zinc/82/56/78/1021825678.db2.gz RJKDHVCYJKUYSH-GOSISDBHSA-N 1 1 308.381 3.610 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+](CCc1ccccc1)C1CC1 ZINC000746114452 1021857690 /nfs/dbraw/zinc/85/76/90/1021857690.db2.gz ILEKTAMRYPYOFA-UHFFFAOYSA-N 1 1 306.409 3.644 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccn(-c3ccccc3)n2)cc1Cl ZINC000619748986 1021884826 /nfs/dbraw/zinc/88/48/26/1021884826.db2.gz VCIGSKCHZJTYMC-UHFFFAOYSA-N 1 1 322.799 3.687 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000619748202 1021885624 /nfs/dbraw/zinc/88/56/24/1021885624.db2.gz AJGFGZWRFZGLOR-UHFFFAOYSA-N 1 1 319.723 3.549 20 30 DHEDMO CCn1nc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c2ccccc21 ZINC000619748465 1021886379 /nfs/dbraw/zinc/88/63/79/1021886379.db2.gz FWGCMFKQCRCZRW-UHFFFAOYSA-N 1 1 324.815 3.871 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H]2CSCCc3ccccc32)CC1 ZINC000153027019 1021929096 /nfs/dbraw/zinc/92/90/96/1021929096.db2.gz WHMYALVTSCZPLO-IBGZPJMESA-N 1 1 316.514 3.647 20 30 DHEDMO N#CCCOCC[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000338939620 1021943536 /nfs/dbraw/zinc/94/35/36/1021943536.db2.gz WBUUYWNDNYZZNQ-UHFFFAOYSA-N 1 1 312.388 3.758 20 30 DHEDMO N#CCCOCC[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000338939620 1021943541 /nfs/dbraw/zinc/94/35/41/1021943541.db2.gz WBUUYWNDNYZZNQ-UHFFFAOYSA-N 1 1 312.388 3.758 20 30 DHEDMO CCCCOc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1OC ZINC000556910212 1021944165 /nfs/dbraw/zinc/94/41/65/1021944165.db2.gz XTHGKPQOKKGAIB-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO CCCCOc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1OC ZINC000556910212 1021944169 /nfs/dbraw/zinc/94/41/69/1021944169.db2.gz XTHGKPQOKKGAIB-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1cn(C)nc1CC)c1ccc(F)c(F)c1 ZINC000187371297 1021951352 /nfs/dbraw/zinc/95/13/52/1021951352.db2.gz FPLSIRDMIKWXDF-KRWDZBQOSA-N 1 1 305.372 3.668 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000128394415 1022059030 /nfs/dbraw/zinc/05/90/30/1022059030.db2.gz IFVBHKLMAWEFOP-INIZCTEOSA-N 1 1 300.452 3.910 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000128394415 1022059045 /nfs/dbraw/zinc/05/90/45/1022059045.db2.gz IFVBHKLMAWEFOP-INIZCTEOSA-N 1 1 300.452 3.910 20 30 DHEDMO CC[N@@H+](CCc1ccc(C#N)cc1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000852065273 1022067026 /nfs/dbraw/zinc/06/70/26/1022067026.db2.gz FPIYJNXJKHBFCN-OXQOHEQNSA-N 1 1 308.425 3.545 20 30 DHEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(-c2ccccc2OC)n1 ZINC000852097997 1022072787 /nfs/dbraw/zinc/07/27/87/1022072787.db2.gz CEAMLGXJYZKYLZ-QGZVFWFLSA-N 1 1 300.427 3.710 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000852321233 1022104121 /nfs/dbraw/zinc/10/41/21/1022104121.db2.gz SDWZEWAMKABYMH-LBPRGKRZSA-N 1 1 310.319 3.557 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000852321233 1022104127 /nfs/dbraw/zinc/10/41/27/1022104127.db2.gz SDWZEWAMKABYMH-LBPRGKRZSA-N 1 1 310.319 3.557 20 30 DHEDMO Cc1cccc(C)c1C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328441 1022107485 /nfs/dbraw/zinc/10/74/85/1022107485.db2.gz FHXJQAAAPTZLSN-FQEVSTJZSA-N 1 1 305.425 3.756 20 30 DHEDMO Cc1cccc(C)c1C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328441 1022107492 /nfs/dbraw/zinc/10/74/92/1022107492.db2.gz FHXJQAAAPTZLSN-FQEVSTJZSA-N 1 1 305.425 3.756 20 30 DHEDMO Cc1cc(C)cc(C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852327445 1022107878 /nfs/dbraw/zinc/10/78/78/1022107878.db2.gz TXJHPICTWBOPJR-HXUWFJFHSA-N 1 1 305.425 3.756 20 30 DHEDMO Cc1cc(C)cc(C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852327445 1022107880 /nfs/dbraw/zinc/10/78/80/1022107880.db2.gz TXJHPICTWBOPJR-HXUWFJFHSA-N 1 1 305.425 3.756 20 30 DHEDMO C#CC[N@@H+](CC)Cc1cc(Br)ccc1OC(F)F ZINC000746457569 1022112046 /nfs/dbraw/zinc/11/20/46/1022112046.db2.gz IUCKYICZCLBOEF-UHFFFAOYSA-N 1 1 318.161 3.506 20 30 DHEDMO C#CC[N@H+](CC)Cc1cc(Br)ccc1OC(F)F ZINC000746457569 1022112053 /nfs/dbraw/zinc/11/20/53/1022112053.db2.gz IUCKYICZCLBOEF-UHFFFAOYSA-N 1 1 318.161 3.506 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000620309841 1022118835 /nfs/dbraw/zinc/11/88/35/1022118835.db2.gz FGCWAZOCJGNUBR-BBWFWOEESA-N 1 1 318.848 3.652 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000620313113 1022119461 /nfs/dbraw/zinc/11/94/61/1022119461.db2.gz WDKATWDNKMTNPB-SLFFLAALSA-N 1 1 324.468 3.608 20 30 DHEDMO C[C@@H]1[C@H](C)[N@@H+](CCCC(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC000776604954 1022143232 /nfs/dbraw/zinc/14/32/32/1022143232.db2.gz YMVQIUNQOPZSBO-LSDHHAIUSA-N 1 1 323.481 3.646 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000852685968 1022159855 /nfs/dbraw/zinc/15/98/55/1022159855.db2.gz NIRCLGCUNPVJIC-CALCHBBNSA-N 1 1 320.477 3.817 20 30 DHEDMO CC(C)(C)OC(=O)NCCCCCCC[N@H+]1CC[C@](C)(C#N)C1 ZINC000852687906 1022159937 /nfs/dbraw/zinc/15/99/37/1022159937.db2.gz XHVXFFATVSBSQA-GOSISDBHSA-N 1 1 323.481 3.697 20 30 DHEDMO N#CCCC[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000920760893 1022172113 /nfs/dbraw/zinc/17/21/13/1022172113.db2.gz HXLDDFDTHZSISA-HNNXBMFYSA-N 1 1 307.235 3.760 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CC3CC2(c2ccccc2)C3)cc1 ZINC000852761940 1022174271 /nfs/dbraw/zinc/17/42/71/1022174271.db2.gz WEIADNAYTMCXRY-UHFFFAOYSA-N 1 1 304.393 3.710 20 30 DHEDMO N#Cc1c(C[N@H+]2CCC[C@@H](c3nccs3)C2)cn2ccccc12 ZINC000195442414 1022188287 /nfs/dbraw/zinc/18/82/87/1022188287.db2.gz QFTQGROTGUYLBI-CQSZACIVSA-N 1 1 322.437 3.647 20 30 DHEDMO N#CCC[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038817 1022222577 /nfs/dbraw/zinc/22/25/77/1022222577.db2.gz KNTVFZUBBNXVBX-ZBFHGGJFSA-N 1 1 321.808 3.501 20 30 DHEDMO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000120247154 1022251935 /nfs/dbraw/zinc/25/19/35/1022251935.db2.gz GQJPKVMGEGKTQF-DYESRHJHSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@@H]1C[C@H](CNCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000120247154 1022251941 /nfs/dbraw/zinc/25/19/41/1022251941.db2.gz GQJPKVMGEGKTQF-DYESRHJHSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@@H]1C[C@H](CNCc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000120247154 1022251949 /nfs/dbraw/zinc/25/19/49/1022251949.db2.gz GQJPKVMGEGKTQF-DYESRHJHSA-N 1 1 319.452 3.558 20 30 DHEDMO C#Cc1cccnc1NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000853375259 1022264068 /nfs/dbraw/zinc/26/40/68/1022264068.db2.gz IDAWUMSQSLNBIU-RDJZCZTQSA-N 1 1 311.454 3.619 20 30 DHEDMO C#Cc1cccnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000853448317 1022275170 /nfs/dbraw/zinc/27/51/70/1022275170.db2.gz LYFRXRGTCZQOHB-KRWDZBQOSA-N 1 1 311.473 3.544 20 30 DHEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(CCC#N)Cc1ccc(Cl)cc1)C2 ZINC001169145653 1022277410 /nfs/dbraw/zinc/27/74/10/1022277410.db2.gz NDORBKWXFMTSRI-BCDXTJNWSA-N 1 1 317.864 3.681 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000853598141 1022297456 /nfs/dbraw/zinc/29/74/56/1022297456.db2.gz LXUHKGMQXNBMCO-HDICACEKSA-N 1 1 304.397 3.562 20 30 DHEDMO CC(C)[C@@H](C#N)N1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000609539098 1022299047 /nfs/dbraw/zinc/29/90/47/1022299047.db2.gz SCGOFJLPNKLBJQ-HXUWFJFHSA-N 1 1 307.441 3.506 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000609540738 1022300739 /nfs/dbraw/zinc/30/07/39/1022300739.db2.gz WHGURHDDWYZWML-UHFFFAOYSA-N 1 1 320.436 3.987 20 30 DHEDMO N#CC1(C[N@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000538390242 1033048305 /nfs/dbraw/zinc/04/83/05/1033048305.db2.gz QPJUJMVACIHCJZ-UHFFFAOYSA-N 1 1 324.255 3.809 20 30 DHEDMO N#CC1(C[N@@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000538390242 1033048316 /nfs/dbraw/zinc/04/83/16/1033048316.db2.gz QPJUJMVACIHCJZ-UHFFFAOYSA-N 1 1 324.255 3.809 20 30 DHEDMO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccco1 ZINC000155456842 1022400834 /nfs/dbraw/zinc/40/08/34/1022400834.db2.gz CMJKXKSJRWVENK-UHFFFAOYSA-N 1 1 309.287 3.662 20 30 DHEDMO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccco1 ZINC000155456842 1022400837 /nfs/dbraw/zinc/40/08/37/1022400837.db2.gz CMJKXKSJRWVENK-UHFFFAOYSA-N 1 1 309.287 3.662 20 30 DHEDMO CC(C)C[C@H]1CCCCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000610133898 1022424532 /nfs/dbraw/zinc/42/45/32/1022424532.db2.gz IPMGOWNOTSGZSF-QGZVFWFLSA-N 1 1 319.493 3.620 20 30 DHEDMO C=CCn1ccc2c1nc[nH+]c2NC[C@@H](C)c1ccc(O)cc1 ZINC001169534525 1022439765 /nfs/dbraw/zinc/43/97/65/1022439765.db2.gz ICAQYYHZMUCNRY-CYBMUJFWSA-N 1 1 308.385 3.539 20 30 DHEDMO C#C[C@](C)(CC)Nc1[nH+]cnc2c1ccn2Cc1ccccc1F ZINC001169692542 1022504000 /nfs/dbraw/zinc/50/40/00/1022504000.db2.gz ODNDTUKNRXSWCM-LJQANCHMSA-N 1 1 322.387 3.833 20 30 DHEDMO Cc1ccccc1[C@@]1(F)CC[N@H+](CCOc2ccccc2C#N)C1 ZINC001169715207 1022518013 /nfs/dbraw/zinc/51/80/13/1022518013.db2.gz JOFCZTZUGJTBSE-HXUWFJFHSA-N 1 1 324.399 3.816 20 30 DHEDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC001169715207 1022518022 /nfs/dbraw/zinc/51/80/22/1022518022.db2.gz JOFCZTZUGJTBSE-HXUWFJFHSA-N 1 1 324.399 3.816 20 30 DHEDMO C=C1CC(c2noc([C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)n2)C1 ZINC000924122267 1022579595 /nfs/dbraw/zinc/57/95/95/1022579595.db2.gz APHPOOQNPFSCSC-WMLDXEAASA-N 1 1 309.413 3.739 20 30 DHEDMO C#CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000766913152 1022606442 /nfs/dbraw/zinc/60/64/42/1022606442.db2.gz DXQHSOYOKWFMLN-SJORKVTESA-N 1 1 320.477 3.654 20 30 DHEDMO C#CCCC[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000766895788 1022606888 /nfs/dbraw/zinc/60/68/88/1022606888.db2.gz SPGUQPFMYSPOBO-UHFFFAOYSA-N 1 1 324.390 3.627 20 30 DHEDMO C=C[C@H](CC(=O)NCC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000158970040 1022678669 /nfs/dbraw/zinc/67/86/69/1022678669.db2.gz LZNCOOSBNVPPBF-LJQANCHMSA-N 1 1 322.452 3.595 20 30 DHEDMO Cc1ccnc(N=NC2C[C@H](C)C[N@H+](Cc3ccccc3)C2)c1 ZINC000767386067 1022708298 /nfs/dbraw/zinc/70/82/98/1022708298.db2.gz RDHBBIPWCAKJNF-INIZCTEOSA-N 1 1 308.429 3.700 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2nc(Cl)c(C#N)s2)C1 ZINC000804357332 1022724707 /nfs/dbraw/zinc/72/47/07/1022724707.db2.gz DOGNSNBVXAPJLI-TUAOUCFPSA-N 1 1 324.881 3.510 20 30 DHEDMO C[N@H+]1CCN(CC#Cc2cccc(Cl)c2)CC12CCCCC2 ZINC000584787982 1022742813 /nfs/dbraw/zinc/74/28/13/1022742813.db2.gz IHKKFDSUUQMLHF-UHFFFAOYSA-N 1 1 316.876 3.642 20 30 DHEDMO CCCCN1CCC([N@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172312365 1033077939 /nfs/dbraw/zinc/07/79/39/1033077939.db2.gz GHEVGXWVTQDWBW-KRWDZBQOSA-N 1 1 313.489 3.686 20 30 DHEDMO CCCCN1CCC([N@@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172312365 1033077954 /nfs/dbraw/zinc/07/79/54/1033077954.db2.gz GHEVGXWVTQDWBW-KRWDZBQOSA-N 1 1 313.489 3.686 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001172311370 1033079255 /nfs/dbraw/zinc/07/92/55/1033079255.db2.gz RWWAPMAGZXSFPB-MRXNPFEDSA-N 1 1 307.441 3.687 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001172312284 1033079870 /nfs/dbraw/zinc/07/98/70/1033079870.db2.gz GCBOMOHENOZOLU-YWZLYKJASA-N 1 1 324.399 3.782 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001172315484 1033080973 /nfs/dbraw/zinc/08/09/73/1033080973.db2.gz OOLXDDIANUVPIJ-SWLSCSKDSA-N 1 1 314.326 3.713 20 30 DHEDMO COc1ccc2c(c1)C[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)CCC2 ZINC001172313083 1033082420 /nfs/dbraw/zinc/08/24/20/1033082420.db2.gz OQQKJPOJIQIZRK-MRXNPFEDSA-N 1 1 320.436 3.946 20 30 DHEDMO Cc1ccn2cc(C[N@H+](C)[C@@H](C)Cc3ccc(C#N)cc3)nc2c1 ZINC001172315045 1033082497 /nfs/dbraw/zinc/08/24/97/1033082497.db2.gz IYMRDHDRMXFHTR-INIZCTEOSA-N 1 1 318.424 3.577 20 30 DHEDMO COc1cccc2c1CC[N@H+]([C@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172312931 1033083049 /nfs/dbraw/zinc/08/30/49/1033083049.db2.gz MFNQMRXGAREGAM-OAHLLOKOSA-N 1 1 306.409 3.556 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC(=O)[C@H](C)C12CCCC2 ZINC001172317791 1033085040 /nfs/dbraw/zinc/08/50/40/1033085040.db2.gz UQDOQNHUMYAPQG-CVEARBPZSA-N 1 1 310.441 3.713 20 30 DHEDMO C#CCCCCCC[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000876537042 1033085781 /nfs/dbraw/zinc/08/57/81/1033085781.db2.gz KXFNZUASHXLFGK-UHFFFAOYSA-N 1 1 300.446 3.757 20 30 DHEDMO C[N@H+]1CCC[C@H](c2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000856778402 1022865936 /nfs/dbraw/zinc/86/59/36/1022865936.db2.gz LCJJRTHRNBJLGS-SFHVURJKSA-N 1 1 319.408 3.620 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000768237930 1022933986 /nfs/dbraw/zinc/93/39/86/1022933986.db2.gz NZCLKSUDAIGMQW-OXJNMPFZSA-N 1 1 322.408 3.551 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000768237930 1022933995 /nfs/dbraw/zinc/93/39/95/1022933995.db2.gz NZCLKSUDAIGMQW-OXJNMPFZSA-N 1 1 322.408 3.551 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000768237966 1022934170 /nfs/dbraw/zinc/93/41/70/1022934170.db2.gz OHDGHSCHDGYKEB-NRFANRHFSA-N 1 1 321.420 3.662 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000768237966 1022934178 /nfs/dbraw/zinc/93/41/78/1022934178.db2.gz OHDGHSCHDGYKEB-NRFANRHFSA-N 1 1 321.420 3.662 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1I)C(C)C ZINC000768547465 1022994354 /nfs/dbraw/zinc/99/43/54/1022994354.db2.gz NOANUFKMBXIQRI-UHFFFAOYSA-N 1 1 315.198 3.688 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1I)C(C)C ZINC000768547465 1022994364 /nfs/dbraw/zinc/99/43/64/1022994364.db2.gz NOANUFKMBXIQRI-UHFFFAOYSA-N 1 1 315.198 3.688 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC001212324936 1023000217 /nfs/dbraw/zinc/00/02/17/1023000217.db2.gz COKZOEVAPXYDLC-LBPRGKRZSA-N 1 1 310.184 3.847 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC001212325091 1023000841 /nfs/dbraw/zinc/00/08/41/1023000841.db2.gz HDGIYDZHDSJMNW-LBPRGKRZSA-N 1 1 310.184 3.847 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(C)cc2C(F)(F)F)no1 ZINC001212325577 1023004098 /nfs/dbraw/zinc/00/40/98/1023004098.db2.gz VTUFBMKPDGOKFN-ZDUSSCGKSA-N 1 1 323.318 3.867 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccccn1 ZINC000768926903 1023058711 /nfs/dbraw/zinc/05/87/11/1023058711.db2.gz SDLJHOBDYLGSQY-INIZCTEOSA-N 1 1 309.413 3.783 20 30 DHEDMO C=C(Cl)C[NH2+]Cc1sccc1NC(=O)OC(C)(C)C ZINC000893349886 1023071370 /nfs/dbraw/zinc/07/13/70/1023071370.db2.gz CQINMHLJIKHQGW-UHFFFAOYSA-N 1 1 302.827 3.937 20 30 DHEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1cccc(OC(F)F)c1 ZINC000769102389 1023089222 /nfs/dbraw/zinc/08/92/22/1023089222.db2.gz KSQNYKNJTGHIGO-UHFFFAOYSA-N 1 1 308.353 3.853 20 30 DHEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cccc(OC(F)F)c1 ZINC000769102389 1023089224 /nfs/dbraw/zinc/08/92/24/1023089224.db2.gz KSQNYKNJTGHIGO-UHFFFAOYSA-N 1 1 308.353 3.853 20 30 DHEDMO C#CC[N@@H+](CC)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000769104659 1023091153 /nfs/dbraw/zinc/09/11/53/1023091153.db2.gz IYKICEOGQXOWAA-UHFFFAOYSA-N 1 1 315.848 3.657 20 30 DHEDMO C#CC[N@H+](CC)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000769104659 1023091158 /nfs/dbraw/zinc/09/11/58/1023091158.db2.gz IYKICEOGQXOWAA-UHFFFAOYSA-N 1 1 315.848 3.657 20 30 DHEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876617280 1033106030 /nfs/dbraw/zinc/10/60/30/1033106030.db2.gz JBCOKZFKUWKAQG-JKSUJKDBSA-N 1 1 323.481 3.505 20 30 DHEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759857755 1023143507 /nfs/dbraw/zinc/14/35/07/1023143507.db2.gz KEMYBZLBLJRBOD-OAHLLOKOSA-N 1 1 312.816 3.774 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759857755 1023143510 /nfs/dbraw/zinc/14/35/10/1023143510.db2.gz KEMYBZLBLJRBOD-OAHLLOKOSA-N 1 1 312.816 3.774 20 30 DHEDMO CC(C)CC[N@H+](CCC#N)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759856176 1023143862 /nfs/dbraw/zinc/14/38/62/1023143862.db2.gz XLKOGRNLPUKVDX-MRXNPFEDSA-N 1 1 312.816 3.774 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759856176 1023143869 /nfs/dbraw/zinc/14/38/69/1023143869.db2.gz XLKOGRNLPUKVDX-MRXNPFEDSA-N 1 1 312.816 3.774 20 30 DHEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC001252541899 1033108866 /nfs/dbraw/zinc/10/88/66/1033108866.db2.gz VYPQBUSMYSXIOE-HUUCEWRRSA-N 1 1 310.235 3.523 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000769488767 1023154558 /nfs/dbraw/zinc/15/45/58/1023154558.db2.gz YWDDIAXKZZRDKK-UHFFFAOYSA-N 1 1 309.331 3.783 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000769488767 1023154559 /nfs/dbraw/zinc/15/45/59/1023154559.db2.gz YWDDIAXKZZRDKK-UHFFFAOYSA-N 1 1 309.331 3.783 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCC23CCC3)c1C#N ZINC000769983192 1023256410 /nfs/dbraw/zinc/25/64/10/1023256410.db2.gz GESURVXOLLNZBW-UHFFFAOYSA-N 1 1 306.413 3.571 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCCC23CCC3)c1C#N ZINC000769983192 1023256414 /nfs/dbraw/zinc/25/64/14/1023256414.db2.gz GESURVXOLLNZBW-UHFFFAOYSA-N 1 1 306.413 3.571 20 30 DHEDMO CC(C)([NH2+]Cc1ccnc(C#N)c1)c1cccc(Cl)c1F ZINC000613750287 1023276673 /nfs/dbraw/zinc/27/66/73/1023276673.db2.gz RHJMCNRJRQPZSY-UHFFFAOYSA-N 1 1 303.768 3.771 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+](C)CCOCc2ccccc2)cc1 ZINC000770304470 1023294454 /nfs/dbraw/zinc/29/44/54/1023294454.db2.gz FUVLBJZQQUFARK-UHFFFAOYSA-N 1 1 323.436 3.737 20 30 DHEDMO C#CCOc1ccc(C[N@@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000770306145 1023294851 /nfs/dbraw/zinc/29/48/51/1023294851.db2.gz WUODBTKNPRULKH-UHFFFAOYSA-N 1 1 311.347 3.863 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCCC[C@@H](SC)C2)cc1 ZINC000770352052 1023304486 /nfs/dbraw/zinc/30/44/86/1023304486.db2.gz XMVDUNLEWJTANH-GOSISDBHSA-N 1 1 303.471 3.806 20 30 DHEDMO C=CC[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617000230 1023315097 /nfs/dbraw/zinc/31/50/97/1023315097.db2.gz VWXHGKXSBDTZBU-WMZOPIPTSA-N 1 1 314.473 3.583 20 30 DHEDMO C=CC[N@H+](CCCC(=O)Nc1c(C)cccc1C)[C@@H](C)COC ZINC000661249042 1023541324 /nfs/dbraw/zinc/54/13/24/1023541324.db2.gz YKBGYEFWADXZMC-KRWDZBQOSA-N 1 1 318.461 3.545 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1ccc(SC(F)F)cc1)C1CC1 ZINC000772379947 1023551475 /nfs/dbraw/zinc/55/14/75/1023551475.db2.gz CIULOLJALFFIOY-UHFFFAOYSA-N 1 1 312.385 3.590 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1ccc(SC(F)F)cc1)C1CC1 ZINC000772379947 1023551479 /nfs/dbraw/zinc/55/14/79/1023551479.db2.gz CIULOLJALFFIOY-UHFFFAOYSA-N 1 1 312.385 3.590 20 30 DHEDMO C#CC[N@H+](Cc1[nH]nc2ccccc21)[C@@H]1CCc2ccccc21 ZINC000772596972 1023577429 /nfs/dbraw/zinc/57/74/29/1023577429.db2.gz CVPVSBYIEFWJDQ-HXUWFJFHSA-N 1 1 301.393 3.686 20 30 DHEDMO C#CC[N@@H+](Cc1[nH]nc2ccccc21)[C@@H]1CCc2ccccc21 ZINC000772596972 1023577434 /nfs/dbraw/zinc/57/74/34/1023577434.db2.gz CVPVSBYIEFWJDQ-HXUWFJFHSA-N 1 1 301.393 3.686 20 30 DHEDMO C#CC[N@@H+](Cc1cnn(C(C)(C)C)c1)[C@@H]1CCc2ccccc21 ZINC000772599974 1023577610 /nfs/dbraw/zinc/57/76/10/1023577610.db2.gz PVDCGNNFEJVOPK-LJQANCHMSA-N 1 1 307.441 3.761 20 30 DHEDMO C#CC[N@H+](Cc1cnn(C(C)(C)C)c1)[C@@H]1CCc2ccccc21 ZINC000772599974 1023577614 /nfs/dbraw/zinc/57/76/14/1023577614.db2.gz PVDCGNNFEJVOPK-LJQANCHMSA-N 1 1 307.441 3.761 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000661377763 1023583270 /nfs/dbraw/zinc/58/32/70/1023583270.db2.gz UDJONXCSFJPSHO-ZDUSSCGKSA-N 1 1 301.365 3.664 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000785999562 1023650484 /nfs/dbraw/zinc/65/04/84/1023650484.db2.gz WFYWMKSWDLODGM-JKSUJKDBSA-N 1 1 308.466 3.674 20 30 DHEDMO Cc1scc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1C ZINC000876817093 1033151043 /nfs/dbraw/zinc/15/10/43/1033151043.db2.gz XMDHIWVWQIQAKH-GOSISDBHSA-N 1 1 312.438 3.810 20 30 DHEDMO Cc1scc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1C ZINC000876817093 1033151053 /nfs/dbraw/zinc/15/10/53/1033151053.db2.gz XMDHIWVWQIQAKH-GOSISDBHSA-N 1 1 312.438 3.810 20 30 DHEDMO C#CCOc1ccc(C[NH2+][C@@H]2CCCc3cn(C(C)C)nc32)cc1 ZINC000780764764 1033155269 /nfs/dbraw/zinc/15/52/69/1033155269.db2.gz QHRVGFZJSAVGPE-LJQANCHMSA-N 1 1 323.440 3.643 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)C(C)(C)C ZINC000661756232 1023730624 /nfs/dbraw/zinc/73/06/24/1023730624.db2.gz GXBXSHGJNJYGTJ-UHFFFAOYSA-N 1 1 312.360 3.513 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OCc2nccn2C)cc1)C(C)(C)C ZINC000661759212 1023734518 /nfs/dbraw/zinc/73/45/18/1023734518.db2.gz DSVNUHJSLDKBPA-UHFFFAOYSA-N 1 1 313.445 3.786 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)C(C)(C)C ZINC000661760453 1023736245 /nfs/dbraw/zinc/73/62/45/1023736245.db2.gz UBCORXZDELAJJG-SFHVURJKSA-N 1 1 300.446 3.540 20 30 DHEDMO C#CC[N@H+](CC)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000787127405 1023764370 /nfs/dbraw/zinc/76/43/70/1023764370.db2.gz BOECSENWSLZFSD-UHFFFAOYSA-N 1 1 307.319 3.551 20 30 DHEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(Br)cc2cccnc21 ZINC000787996859 1023836046 /nfs/dbraw/zinc/83/60/46/1023836046.db2.gz AJDVNESLEYVHKR-UHFFFAOYSA-N 1 1 317.230 3.841 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)Nc1ccccc1Cl ZINC000662081666 1023887426 /nfs/dbraw/zinc/88/74/26/1023887426.db2.gz XGENMORAYNKFHQ-MCIONIFRSA-N 1 1 304.821 3.850 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1ccccc1Cl ZINC000662081666 1023887428 /nfs/dbraw/zinc/88/74/28/1023887428.db2.gz XGENMORAYNKFHQ-MCIONIFRSA-N 1 1 304.821 3.850 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000662079188 1023889212 /nfs/dbraw/zinc/88/92/12/1023889212.db2.gz IACWXRALMCXAPQ-QRQLOZEOSA-N 1 1 312.457 3.525 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000662079135 1023889640 /nfs/dbraw/zinc/88/96/40/1023889640.db2.gz KLCQKVCZKXVWSS-YTQUADARSA-N 1 1 312.457 3.607 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000662085309 1023893054 /nfs/dbraw/zinc/89/30/54/1023893054.db2.gz CZLBVXVJIMXEFR-BETUJISGSA-N 1 1 321.380 3.765 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000662086555 1023894041 /nfs/dbraw/zinc/89/40/41/1023894041.db2.gz VIGBCEOMGCWUOY-BETUJISGSA-N 1 1 317.339 3.698 20 30 DHEDMO N#Cc1ccc(CNc2[nH+]cccc2C2CCOCC2)cc1F ZINC001170090508 1023941680 /nfs/dbraw/zinc/94/16/80/1023941680.db2.gz FZONIFUYQNRNOE-UHFFFAOYSA-N 1 1 311.360 3.598 20 30 DHEDMO CC[NH+](CC)[C@H](CNCc1cccc(C#N)c1)Cc1ccccc1 ZINC000236894886 1023970150 /nfs/dbraw/zinc/97/01/50/1023970150.db2.gz ONLMXHFGMBLYMQ-NRFANRHFSA-N 1 1 321.468 3.601 20 30 DHEDMO C[NH+](C)Cc1c(F)cc(NCc2ccc(C#N)c(F)c2)cc1F ZINC001170096409 1023979083 /nfs/dbraw/zinc/97/90/83/1023979083.db2.gz RSDZLENSSMREJW-UHFFFAOYSA-N 1 1 319.330 3.649 20 30 DHEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)c1cccc(O)c1 ZINC000266969613 1024046258 /nfs/dbraw/zinc/04/62/58/1024046258.db2.gz ZNPRSNLRMZKOGC-HNNXBMFYSA-N 1 1 310.397 3.878 20 30 DHEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000266969498 1024046968 /nfs/dbraw/zinc/04/69/68/1024046968.db2.gz ZIHMYABUPZBZCC-INIZCTEOSA-N 1 1 306.409 3.636 20 30 DHEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000266969498 1024046980 /nfs/dbraw/zinc/04/69/80/1024046980.db2.gz ZIHMYABUPZBZCC-INIZCTEOSA-N 1 1 306.409 3.636 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000266911023 1024047454 /nfs/dbraw/zinc/04/74/54/1024047454.db2.gz DGCYTPSOFAZBIH-GOSISDBHSA-N 1 1 300.446 3.688 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000789325264 1024048508 /nfs/dbraw/zinc/04/85/08/1024048508.db2.gz BEHQZLWUJMXCKO-UHFFFAOYSA-N 1 1 309.457 3.836 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C(C)(C)C)cc2)n1 ZINC000789325264 1024048522 /nfs/dbraw/zinc/04/85/22/1024048522.db2.gz BEHQZLWUJMXCKO-UHFFFAOYSA-N 1 1 309.457 3.836 20 30 DHEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@H](CC)CC(C)C)C2 ZINC001172401267 1033184939 /nfs/dbraw/zinc/18/49/39/1033184939.db2.gz LLADQJRKJWXPJD-CEXWTWQISA-N 1 1 309.494 3.885 20 30 DHEDMO C=C(Cl)C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000129758832 1024073196 /nfs/dbraw/zinc/07/31/96/1024073196.db2.gz RTFGBPMCBAIHLF-LBPRGKRZSA-N 1 1 304.590 3.918 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000268638926 1024135184 /nfs/dbraw/zinc/13/51/84/1024135184.db2.gz DBHALXADFSDAOV-ZWKOTPCHSA-N 1 1 312.800 3.692 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(F)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000268620551 1024135309 /nfs/dbraw/zinc/13/53/09/1024135309.db2.gz AFQGETBEAUKBRO-IBGZPJMESA-N 1 1 312.388 3.641 20 30 DHEDMO CC(C)[N@H+](Cc1cccc(F)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000268648723 1024137734 /nfs/dbraw/zinc/13/77/34/1024137734.db2.gz VHOOPBUJNGDWAI-IBGZPJMESA-N 1 1 312.388 3.641 20 30 DHEDMO CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000268649409 1024138255 /nfs/dbraw/zinc/13/82/55/1024138255.db2.gz GEWPNOLCRFPVML-FOIQADDNSA-N 1 1 319.408 3.546 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000268676157 1024140400 /nfs/dbraw/zinc/14/04/00/1024140400.db2.gz LJJKMRZUHDZFQG-IBGZPJMESA-N 1 1 310.397 3.629 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000602481511 1024147415 /nfs/dbraw/zinc/14/74/15/1024147415.db2.gz MGIHSTGAFJAUMF-GFCCVEGCSA-N 1 1 315.244 3.728 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)[C@@H]1CCc2ccccc21 ZINC000789725233 1024156193 /nfs/dbraw/zinc/15/61/93/1024156193.db2.gz YEHAXZHFDZFPEC-LJQANCHMSA-N 1 1 317.392 3.792 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000268960445 1024204957 /nfs/dbraw/zinc/20/49/57/1024204957.db2.gz ICPQRXWNOCYIOE-INIZCTEOSA-N 1 1 308.429 3.590 20 30 DHEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H](CO)c1ccccc1 ZINC000269048441 1024229509 /nfs/dbraw/zinc/22/95/09/1024229509.db2.gz ZJENIKRERBJKQI-LJQANCHMSA-N 1 1 308.425 3.653 20 30 DHEDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000024743595 1024232959 /nfs/dbraw/zinc/23/29/59/1024232959.db2.gz TUIJXZTXAJPYAC-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO C#CCCOc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000131186756 1024276186 /nfs/dbraw/zinc/27/61/86/1024276186.db2.gz CGWSHFQTUNGYTE-UHFFFAOYSA-N 1 1 304.393 3.592 20 30 DHEDMO CCc1noc(CC)c1C[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000925248082 1024277159 /nfs/dbraw/zinc/27/71/59/1024277159.db2.gz WPJVYAVGELWNSQ-HNNXBMFYSA-N 1 1 313.401 3.618 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1CC[C@H](C)C1)[C@H]2CC ZINC001170139441 1024322787 /nfs/dbraw/zinc/32/27/87/1024322787.db2.gz UXPBNHUCWRSOHH-ZMMAXQRCSA-N 1 1 304.478 3.597 20 30 DHEDMO CC(C)(C)c1cnc(CO[NH+]=C(N)CCCc2ccccc2)o1 ZINC000131347861 1024332260 /nfs/dbraw/zinc/33/22/60/1024332260.db2.gz JFMYONCKMPLART-UHFFFAOYSA-N 1 1 315.417 3.784 20 30 DHEDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)c1 ZINC000531834906 1024367823 /nfs/dbraw/zinc/36/78/23/1024367823.db2.gz PHYSJPZHGWBCSM-LJQANCHMSA-N 1 1 324.399 3.913 20 30 DHEDMO C=CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)C(C)(C)C ZINC000661759497 1024368740 /nfs/dbraw/zinc/36/87/40/1024368740.db2.gz HWWXVRAPQYYGJY-UHFFFAOYSA-N 1 1 318.852 3.922 20 30 DHEDMO C=CC[N@H+](Cc1nnc(-c2ccc(Cl)cc2)n1C)C(C)(C)C ZINC000661759497 1024368751 /nfs/dbraw/zinc/36/87/51/1024368751.db2.gz HWWXVRAPQYYGJY-UHFFFAOYSA-N 1 1 318.852 3.922 20 30 DHEDMO C=C(Br)C[NH2+]Cc1ccc(Br)cc1F ZINC000105453615 1024383181 /nfs/dbraw/zinc/38/31/81/1024383181.db2.gz BHSRDBBQSFCPAI-UHFFFAOYSA-N 1 1 323.003 3.586 20 30 DHEDMO COc1cc(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)ccc1C#N ZINC000883380782 1024414237 /nfs/dbraw/zinc/41/42/37/1024414237.db2.gz AJAPZVPTQFBDAN-MJGOQNOKSA-N 1 1 310.372 3.682 20 30 DHEDMO C=C1CC[NH+](Cc2cc(OC)ccc2OCc2ccccn2)CC1 ZINC000271159491 1024463784 /nfs/dbraw/zinc/46/37/84/1024463784.db2.gz KEQBZJJRXXAYNA-UHFFFAOYSA-N 1 1 324.424 3.821 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000271153906 1024463850 /nfs/dbraw/zinc/46/38/50/1024463850.db2.gz GUZBDLKJYZALAO-ZDUSSCGKSA-N 1 1 300.427 3.691 20 30 DHEDMO CC#CC[C@@H](CO)[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000717803706 1024470680 /nfs/dbraw/zinc/47/06/80/1024470680.db2.gz HMIKFYMSDWVMPP-VIFPVBQESA-N 1 1 306.620 3.511 20 30 DHEDMO C[N@@H+]1CC[C@@H](NCc2ccc(C#N)c(F)c2)C[C@H]1c1ccccc1 ZINC000453361224 1024487711 /nfs/dbraw/zinc/48/77/11/1024487711.db2.gz APKXQZXKHKVUJK-QUCCMNQESA-N 1 1 323.415 3.622 20 30 DHEDMO C[N@H+]1CC[C@@H](NCc2ccc(C#N)c(F)c2)C[C@H]1c1ccccc1 ZINC000453361224 1024487718 /nfs/dbraw/zinc/48/77/18/1024487718.db2.gz APKXQZXKHKVUJK-QUCCMNQESA-N 1 1 323.415 3.622 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274375339 1024575783 /nfs/dbraw/zinc/57/57/83/1024575783.db2.gz XKFKWAVWWGEZHI-SCTDSRPQSA-N 1 1 314.473 3.616 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCCC[C@@H]2CCO)cc1 ZINC000585754961 1024597761 /nfs/dbraw/zinc/59/77/61/1024597761.db2.gz YXWWACPNRJMDKR-GOSISDBHSA-N 1 1 300.446 3.615 20 30 DHEDMO CC(C)[C@@H]1C[N@H+]([C@@H](C)CCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172497168 1033225316 /nfs/dbraw/zinc/22/53/16/1033225316.db2.gz ZBDGOWZREVIGDY-HOTGVXAUSA-N 1 1 323.481 3.646 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001172493651 1033225904 /nfs/dbraw/zinc/22/59/04/1033225904.db2.gz NIAZYMOGOSTHII-OAGGEKHMSA-N 1 1 323.481 3.551 20 30 DHEDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(C#N)c(F)c2)C2CC2)cc1 ZINC000792205966 1024648812 /nfs/dbraw/zinc/64/88/12/1024648812.db2.gz DKWROIXJEFMFMT-UHFFFAOYSA-N 1 1 323.415 3.928 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001172496592 1033226909 /nfs/dbraw/zinc/22/69/09/1033226909.db2.gz OISGCTHFFICQEG-MAUKXSAKSA-N 1 1 321.465 3.544 20 30 DHEDMO C[C@@H](CCCC#N)[NH+]1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC001172498091 1033227787 /nfs/dbraw/zinc/22/77/87/1033227787.db2.gz IPRWBRRRXKRZRN-FXAWDEMLSA-N 1 1 311.473 3.764 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)c(C#N)c1C ZINC000475745343 1024698430 /nfs/dbraw/zinc/69/84/30/1024698430.db2.gz VDOCCRUNNCTRAR-MDZLAQPJSA-N 1 1 319.474 3.542 20 30 DHEDMO COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@H](C)CCCC#N)c1 ZINC001172505358 1033233837 /nfs/dbraw/zinc/23/38/37/1033233837.db2.gz LXFQUNVNXIVPOW-PBHICJAKSA-N 1 1 300.402 3.692 20 30 DHEDMO C=CCCC[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000349374277 1024707314 /nfs/dbraw/zinc/70/73/14/1024707314.db2.gz QRIVATJMTZOMSX-MRXNPFEDSA-N 1 1 302.466 3.998 20 30 DHEDMO C=CCCC[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000349374277 1024707329 /nfs/dbraw/zinc/70/73/29/1024707329.db2.gz QRIVATJMTZOMSX-MRXNPFEDSA-N 1 1 302.466 3.998 20 30 DHEDMO C=CCCC[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000349374277 1024707333 /nfs/dbraw/zinc/70/73/33/1024707333.db2.gz QRIVATJMTZOMSX-MRXNPFEDSA-N 1 1 302.466 3.998 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+]1Cc2cnc(-c3ccc(F)cc3)nc2C1 ZINC001172497583 1033230368 /nfs/dbraw/zinc/23/03/68/1033230368.db2.gz DAUQWNRFXBIGHL-CYBMUJFWSA-N 1 1 310.376 3.681 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1Cc2cnc(-c3ccc(F)cc3)nc2C1 ZINC001172497583 1033230380 /nfs/dbraw/zinc/23/03/80/1033230380.db2.gz DAUQWNRFXBIGHL-CYBMUJFWSA-N 1 1 310.376 3.681 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(CC)c1cccc2ccccc21)C1CC1 ZINC000538958628 1033230701 /nfs/dbraw/zinc/23/07/01/1033230701.db2.gz LFBZTPUBETZXLC-UHFFFAOYSA-N 1 1 308.425 3.843 20 30 DHEDMO C=CC[N@H+](CC(=O)N(CC)c1cccc2ccccc21)C1CC1 ZINC000538958628 1033230708 /nfs/dbraw/zinc/23/07/08/1033230708.db2.gz LFBZTPUBETZXLC-UHFFFAOYSA-N 1 1 308.425 3.843 20 30 DHEDMO COC[C@@H](C)[N@@H+](Cc1cccc(OC)c1)[C@H](C)CCCC#N ZINC001172502788 1033231784 /nfs/dbraw/zinc/23/17/84/1033231784.db2.gz WTQIQUXZKQBTHD-HZPDHXFCSA-N 1 1 304.434 3.614 20 30 DHEDMO C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001170277288 1024733248 /nfs/dbraw/zinc/73/32/48/1024733248.db2.gz RVVBPPXIXSJHMK-IAQYHMDHSA-N 1 1 307.846 3.545 20 30 DHEDMO C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001170277288 1024733258 /nfs/dbraw/zinc/73/32/58/1024733258.db2.gz RVVBPPXIXSJHMK-IAQYHMDHSA-N 1 1 307.846 3.545 20 30 DHEDMO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000279118633 1024742350 /nfs/dbraw/zinc/74/23/50/1024742350.db2.gz WRTWCOINMWZWMS-INIZCTEOSA-N 1 1 304.777 3.624 20 30 DHEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000279118633 1024742365 /nfs/dbraw/zinc/74/23/65/1024742365.db2.gz WRTWCOINMWZWMS-INIZCTEOSA-N 1 1 304.777 3.624 20 30 DHEDMO CCCCCCCC[C@H](CC)[N@H+]1Cc2ccnn2CC[C@H]1CO ZINC001172501905 1033232422 /nfs/dbraw/zinc/23/24/22/1033232422.db2.gz MWHOZRFKTONNNW-HKUYNNGSSA-N 1 1 321.509 3.979 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001170332110 1024747213 /nfs/dbraw/zinc/74/72/13/1024747213.db2.gz CWADIYNZTJQEKQ-IAGOWNOFSA-N 1 1 322.493 3.922 20 30 DHEDMO CN(C)CCC(C)(C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170367562 1024755117 /nfs/dbraw/zinc/75/51/17/1024755117.db2.gz JZJHPECASYWQKP-UHFFFAOYSA-N 1 1 313.489 3.710 20 30 DHEDMO COCC[N@@H+](C(C)C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170387084 1024761229 /nfs/dbraw/zinc/76/12/29/1024761229.db2.gz PPRPIFXPFRCWEX-UHFFFAOYSA-N 1 1 300.446 3.747 20 30 DHEDMO C[N@@H+](CCc1cccnc1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170389234 1024761386 /nfs/dbraw/zinc/76/13/86/1024761386.db2.gz NUOFNLZWYXVTIO-UHFFFAOYSA-N 1 1 319.452 3.960 20 30 DHEDMO CC(C)[C@@H]1COCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170389411 1024761642 /nfs/dbraw/zinc/76/16/42/1024761642.db2.gz RFNOIJWLRXPCSS-GPJFCIFZSA-N 1 1 312.457 3.747 20 30 DHEDMO C[N@@H+](Cc1cncs1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170397376 1024763224 /nfs/dbraw/zinc/76/32/24/1024763224.db2.gz AAQXDVANEZYZLU-UHFFFAOYSA-N 1 1 311.454 3.979 20 30 DHEDMO Cc1ncc(C[N@H+](C)C2CCC(C#N)(c3ccccc3)CC2)cn1 ZINC001170395961 1024763449 /nfs/dbraw/zinc/76/34/49/1024763449.db2.gz RLSLHGROJVBVIH-UHFFFAOYSA-N 1 1 320.440 3.621 20 30 DHEDMO COC[C@@H]1CCCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378674 1024765386 /nfs/dbraw/zinc/76/53/86/1024765386.db2.gz HSFKWLFZQPQLGH-GPJFCIFZSA-N 1 1 312.457 3.891 20 30 DHEDMO C[C@]1(O)CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170379432 1024768520 /nfs/dbraw/zinc/76/85/20/1024768520.db2.gz YHJPNUTYGNDNAO-GPJFCIFZSA-N 1 1 312.457 3.627 20 30 DHEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001172511532 1033238106 /nfs/dbraw/zinc/23/81/06/1033238106.db2.gz SIZDAWQBNQIGSY-RBUKOAKNSA-N 1 1 310.526 3.922 20 30 DHEDMO CC(C)[C@H]1CCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000350112750 1024792524 /nfs/dbraw/zinc/79/25/24/1024792524.db2.gz FWWDYXAVWUJEKT-GOSISDBHSA-N 1 1 323.440 3.858 20 30 DHEDMO CSc1cc(C)ccc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877087686 1033235723 /nfs/dbraw/zinc/23/57/23/1033235723.db2.gz PKTDABYAOBVMFV-UHFFFAOYSA-N 1 1 317.845 3.927 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792905714 1024831300 /nfs/dbraw/zinc/83/13/00/1024831300.db2.gz QYWQUKMSLWOYII-LSDHHAIUSA-N 1 1 309.240 3.882 20 30 DHEDMO C=CCc1cc(C[NH2+][C@H](C)c2ccncc2F)cc(OC)c1O ZINC000337944598 1033242042 /nfs/dbraw/zinc/24/20/42/1033242042.db2.gz PDFWTQWPLBUTCQ-GFCCVEGCSA-N 1 1 316.376 3.514 20 30 DHEDMO C=C(C)CN1CC[C@]2(CC[N@H+](C[C@@H](C)CCC=C(C)C)C2)C1=O ZINC001275068119 1024899608 /nfs/dbraw/zinc/89/96/08/1024899608.db2.gz DITYZZDIAFRWLT-ICSRJNTNSA-N 1 1 318.505 3.869 20 30 DHEDMO CCCCCCC[N@H+]1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001275111248 1024917041 /nfs/dbraw/zinc/91/70/41/1024917041.db2.gz JNQZFNHKFWSTID-LJQANCHMSA-N 1 1 319.493 3.718 20 30 DHEDMO C#CCN1c2ccccc2[C@@]2(CC[N@H+](CCCCCCC)C2)C1=O ZINC001275112137 1024918829 /nfs/dbraw/zinc/91/88/29/1024918829.db2.gz ZNWNOPRAPACCTN-NRFANRHFSA-N 1 1 324.468 3.580 20 30 DHEDMO C#CCN1CC[C@@]2(CCC[N@@H+]2CCCCCCCCCC)C1=O ZINC001275119795 1024923158 /nfs/dbraw/zinc/92/31/58/1024923158.db2.gz XEOUMOGSLCEGLK-FQEVSTJZSA-N 1 1 318.505 3.827 20 30 DHEDMO CC(C)(C)OC1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000119089888 1024943686 /nfs/dbraw/zinc/94/36/86/1024943686.db2.gz UCCXFHPWSROMOV-UHFFFAOYSA-N 1 1 311.429 3.590 20 30 DHEDMO CC1(C)CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000353259881 1025004589 /nfs/dbraw/zinc/00/45/89/1025004589.db2.gz HOUCXWMYHHXKPU-UHFFFAOYSA-N 1 1 319.836 3.662 20 30 DHEDMO Cc1ccc(C)c(C[N@@H+](C)CCCC2(C#N)CCOCC2)c1 ZINC000337257993 1025046155 /nfs/dbraw/zinc/04/61/55/1025046155.db2.gz UROCMBCOEVNGDG-UHFFFAOYSA-N 1 1 300.446 3.836 20 30 DHEDMO CC[C@@](C)([NH2+]Cc1ccc(F)c(C#N)c1)c1nc(C)cs1 ZINC000121599086 1025104562 /nfs/dbraw/zinc/10/45/62/1025104562.db2.gz VOCDKCITJJBARH-MRXNPFEDSA-N 1 1 303.406 3.877 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1)C1CC1 ZINC000338010256 1033259740 /nfs/dbraw/zinc/25/97/40/1033259740.db2.gz KOXNJNNVLVMVBQ-UHFFFAOYSA-N 1 1 319.408 3.795 20 30 DHEDMO C[NH+](C)C[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccc(F)cc1 ZINC000353598924 1025146100 /nfs/dbraw/zinc/14/61/00/1025146100.db2.gz VIJMYASAKKDOMI-PMACEKPBSA-N 1 1 323.415 3.577 20 30 DHEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1C ZINC001275256460 1025174477 /nfs/dbraw/zinc/17/44/77/1025174477.db2.gz JFLNNJAGKLNKIH-HXUWFJFHSA-N 1 1 312.457 3.528 20 30 DHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)o2)C12CCCCC2 ZINC000353668687 1025190169 /nfs/dbraw/zinc/19/01/69/1025190169.db2.gz ZHYKQBUCOYWHOR-DLBZAZTESA-N 1 1 302.418 3.711 20 30 DHEDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000353767871 1025244377 /nfs/dbraw/zinc/24/43/77/1025244377.db2.gz MQKDDIQMNXNNOC-HZPDHXFCSA-N 1 1 308.429 3.694 20 30 DHEDMO COCCSc1ccc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000112543573 1025249720 /nfs/dbraw/zinc/24/97/20/1025249720.db2.gz TWBLNCOVJJTWJZ-HUUCEWRRSA-N 1 1 317.458 3.519 20 30 DHEDMO CC(C)C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC001167897882 1025258599 /nfs/dbraw/zinc/25/85/99/1025258599.db2.gz KTKWJBRSDFVLAR-GOSISDBHSA-N 1 1 313.445 3.787 20 30 DHEDMO CC[N@@H+](Cc1cc(C(=O)OC)co1)[C@H](C)c1ccc(C#N)cc1 ZINC000171032858 1025285293 /nfs/dbraw/zinc/28/52/93/1025285293.db2.gz NCQBAMHYAPHPPP-CYBMUJFWSA-N 1 1 312.369 3.521 20 30 DHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C1CCC(C)CC1)C2 ZINC001168211372 1025322892 /nfs/dbraw/zinc/32/28/92/1025322892.db2.gz CVOHNZVIWZGVNV-CSODTCANSA-N 1 1 307.478 3.639 20 30 DHEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Br)cc1 ZINC000032514527 1025363344 /nfs/dbraw/zinc/36/33/44/1025363344.db2.gz VMZRRRRSWOMPNW-NEPJUHHUSA-N 1 1 306.207 3.543 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)CN1C ZINC001168245184 1025388487 /nfs/dbraw/zinc/38/84/87/1025388487.db2.gz YMCMTIBFRWVRNM-IAGOWNOFSA-N 1 1 319.452 3.750 20 30 DHEDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001168245184 1025388501 /nfs/dbraw/zinc/38/85/01/1025388501.db2.gz YMCMTIBFRWVRNM-IAGOWNOFSA-N 1 1 319.452 3.750 20 30 DHEDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001168245184 1025388523 /nfs/dbraw/zinc/38/85/23/1025388523.db2.gz YMCMTIBFRWVRNM-IAGOWNOFSA-N 1 1 319.452 3.750 20 30 DHEDMO C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H](O)CC1(C#N)CCC1 ZINC000885956801 1025420153 /nfs/dbraw/zinc/42/01/53/1025420153.db2.gz YSJPIAUOBMVBDG-VQIMIIECSA-N 1 1 312.457 3.732 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](c3ccccc3)CC2)CCC1 ZINC000885983631 1025427349 /nfs/dbraw/zinc/42/73/49/1025427349.db2.gz KYNMKLXTVQVXNG-RTBURBONSA-N 1 1 312.457 3.701 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000265180453 1033281895 /nfs/dbraw/zinc/28/18/95/1033281895.db2.gz DQFZOFVYXTURFX-LJQANCHMSA-N 1 1 324.449 3.879 20 30 DHEDMO N#Cc1sc(NC[C@H]2CCC[N@H+]2C2CCCCC2)nc1Cl ZINC000804682653 1025430919 /nfs/dbraw/zinc/43/09/19/1025430919.db2.gz MCGWJJPNXFJWGZ-GFCCVEGCSA-N 1 1 324.881 3.877 20 30 DHEDMO C=CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC(=C)C ZINC001275329752 1025439774 /nfs/dbraw/zinc/43/97/74/1025439774.db2.gz GKHWGSCKGPFUAD-QZTJIDSGSA-N 1 1 304.478 3.764 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)CCC1 ZINC000886033534 1025445861 /nfs/dbraw/zinc/44/58/61/1025445861.db2.gz WOXKOIRBJMTXBF-QZTJIDSGSA-N 1 1 316.420 3.798 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)CCC1 ZINC000886052449 1025453774 /nfs/dbraw/zinc/45/37/74/1025453774.db2.gz QSXRCJMSLLSONY-MJGOQNOKSA-N 1 1 310.441 3.583 20 30 DHEDMO N#Cc1ccc(CO[NH+]=C(N)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000015397213 1025458122 /nfs/dbraw/zinc/45/81/22/1025458122.db2.gz AYRLJUNBOJXTDU-UHFFFAOYSA-N 1 1 309.413 3.563 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3CC[C@H](C4CC4)O3)CC2)cc1 ZINC000886100281 1025505056 /nfs/dbraw/zinc/50/50/56/1025505056.db2.gz JWRJKUMUTAWGPZ-WOJBJXKFSA-N 1 1 308.425 3.605 20 30 DHEDMO CCS[C@@H](C)c1noc(C[N@H+](C)CCCC(C)(C)C#N)n1 ZINC000128048513 1025564651 /nfs/dbraw/zinc/56/46/51/1025564651.db2.gz HOWVDTNGCMNIDU-LBPRGKRZSA-N 1 1 310.467 3.645 20 30 DHEDMO CCS[C@@H](C)c1noc(C[N@@H+](C)CCCC(C)(C)C#N)n1 ZINC000128048513 1025564660 /nfs/dbraw/zinc/56/46/60/1025564660.db2.gz HOWVDTNGCMNIDU-LBPRGKRZSA-N 1 1 310.467 3.645 20 30 DHEDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccns1 ZINC000860054276 1033290865 /nfs/dbraw/zinc/29/08/65/1033290865.db2.gz NOMIBZDAOKUBMH-JTQLQIEISA-N 1 1 307.806 3.550 20 30 DHEDMO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886252032 1025571549 /nfs/dbraw/zinc/57/15/49/1025571549.db2.gz RNYABPUXSOSNJM-ZWKOTPCHSA-N 1 1 312.457 3.699 20 30 DHEDMO C[C@@H](CSc1ccccc1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886267294 1025574181 /nfs/dbraw/zinc/57/41/81/1025574181.db2.gz JXVZFEIYWXRXTR-HOTGVXAUSA-N 1 1 318.486 3.544 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)CCC1 ZINC000886277669 1025580017 /nfs/dbraw/zinc/58/00/17/1025580017.db2.gz YPOLZVORGHJFQP-RDJZCZTQSA-N 1 1 314.429 3.642 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000886353019 1025598549 /nfs/dbraw/zinc/59/85/49/1025598549.db2.gz AETXCNQOVJLKOS-AWEZNQCLSA-N 1 1 312.438 3.664 20 30 DHEDMO C#CC[C@H]1CC[N@@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000886366102 1025605714 /nfs/dbraw/zinc/60/57/14/1025605714.db2.gz XCMMBAYDVXZZJK-HNNXBMFYSA-N 1 1 317.392 3.735 20 30 DHEDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000886433773 1025625642 /nfs/dbraw/zinc/62/56/42/1025625642.db2.gz UGIPVBWYRIAGJQ-HXUWFJFHSA-N 1 1 322.452 3.962 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCCC3(CCC3)C2)cc(OC)c1O ZINC000355217665 1025641848 /nfs/dbraw/zinc/64/18/48/1025641848.db2.gz JOVQEUCQUWXCOF-UHFFFAOYSA-N 1 1 301.430 3.895 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccc2oc(=O)oc2c1 ZINC000894003016 1025648403 /nfs/dbraw/zinc/64/84/03/1025648403.db2.gz CFKYULADVJOMPT-UHFFFAOYSA-N 1 1 302.374 3.538 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc2oc(=O)oc2c1 ZINC000894003016 1025648411 /nfs/dbraw/zinc/64/84/11/1025648411.db2.gz CFKYULADVJOMPT-UHFFFAOYSA-N 1 1 302.374 3.538 20 30 DHEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573493643 1025721304 /nfs/dbraw/zinc/72/13/04/1025721304.db2.gz FCYPUCBPJDXEFO-KSSFIOAISA-N 1 1 321.380 3.844 20 30 DHEDMO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072543815 1025758323 /nfs/dbraw/zinc/75/83/23/1025758323.db2.gz GUABQPZJUBFLHK-CQSZACIVSA-N 1 1 317.458 3.505 20 30 DHEDMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072543815 1025758330 /nfs/dbraw/zinc/75/83/30/1025758330.db2.gz GUABQPZJUBFLHK-CQSZACIVSA-N 1 1 317.458 3.505 20 30 DHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000246109467 1025760500 /nfs/dbraw/zinc/76/05/00/1025760500.db2.gz DQKNWWCLMQVEPP-IIDMSEBBSA-N 1 1 311.429 3.540 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)CCC(=O)Nc1ccccc1Cl ZINC000072691824 1025764027 /nfs/dbraw/zinc/76/40/27/1025764027.db2.gz JFZHXCAQHRUPMJ-UHFFFAOYSA-N 1 1 321.852 3.930 20 30 DHEDMO N#CCSCCC[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133285582 1025772581 /nfs/dbraw/zinc/77/25/81/1025772581.db2.gz XTBFZBZNJUNQSM-AWEZNQCLSA-N 1 1 324.877 3.830 20 30 DHEDMO CSc1ccc(C[NH2+][C@@H]2CCCc3scnc32)cc1C#N ZINC000886692229 1025799551 /nfs/dbraw/zinc/79/95/51/1025799551.db2.gz UQIVMINHHDQRHM-CYBMUJFWSA-N 1 1 315.467 3.904 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000614179801 1025817593 /nfs/dbraw/zinc/81/75/93/1025817593.db2.gz NIBQBHGGPBMCDU-GJZGRUSLSA-N 1 1 318.848 3.850 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000614179801 1025817610 /nfs/dbraw/zinc/81/76/10/1025817610.db2.gz NIBQBHGGPBMCDU-GJZGRUSLSA-N 1 1 318.848 3.850 20 30 DHEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1O ZINC000614182906 1025823259 /nfs/dbraw/zinc/82/32/59/1025823259.db2.gz LZWNCCCLGYBHIX-ROUUACIJSA-N 1 1 314.473 3.717 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000135133773 1025827593 /nfs/dbraw/zinc/82/75/93/1025827593.db2.gz HCEPHMFYMAZCHS-INIZCTEOSA-N 1 1 308.429 3.590 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000135133773 1025827617 /nfs/dbraw/zinc/82/76/17/1025827617.db2.gz HCEPHMFYMAZCHS-INIZCTEOSA-N 1 1 308.429 3.590 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000135133773 1025827643 /nfs/dbraw/zinc/82/76/43/1025827643.db2.gz HCEPHMFYMAZCHS-INIZCTEOSA-N 1 1 308.429 3.590 20 30 DHEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075837377 1025852249 /nfs/dbraw/zinc/85/22/49/1025852249.db2.gz PTBZCISXSDHCHE-XYPHTWIQSA-N 1 1 322.412 3.761 20 30 DHEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2OC)c1 ZINC000120469527 1025894570 /nfs/dbraw/zinc/89/45/70/1025894570.db2.gz RHSDVIHUZHQDLR-LJQANCHMSA-N 1 1 322.408 3.913 20 30 DHEDMO CCC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(C)cc1 ZINC000536631055 1025899698 /nfs/dbraw/zinc/89/96/98/1025899698.db2.gz FAOFRSKCTYUFSZ-UHFFFAOYSA-N 1 1 318.424 3.927 20 30 DHEDMO C[C@H]1CCN(Cc2ccccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000354011174 1025925454 /nfs/dbraw/zinc/92/54/54/1025925454.db2.gz UGUGSGDTUZAAGG-SFHVURJKSA-N 1 1 319.452 3.655 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000886830545 1025952261 /nfs/dbraw/zinc/95/22/61/1025952261.db2.gz SYOBBPZKJMPFRV-NVXWUHKLSA-N 1 1 323.358 3.558 20 30 DHEDMO N#CCSCCC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000080626835 1025975776 /nfs/dbraw/zinc/97/57/76/1025975776.db2.gz VUFSWHZYNUYTJV-UHFFFAOYSA-N 1 1 300.427 3.929 20 30 DHEDMO CN(C)C(=O)Sc1ccc(C[N@H+](CCC#N)CC2CC2)cc1 ZINC000084088543 1025993775 /nfs/dbraw/zinc/99/37/75/1025993775.db2.gz XNZJUBAOZLEMLD-UHFFFAOYSA-N 1 1 317.458 3.586 20 30 DHEDMO CN(C)C(=O)Sc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000084088543 1025993795 /nfs/dbraw/zinc/99/37/95/1025993795.db2.gz XNZJUBAOZLEMLD-UHFFFAOYSA-N 1 1 317.458 3.586 20 30 DHEDMO C=CCCC1(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000356386929 1026039710 /nfs/dbraw/zinc/03/97/10/1026039710.db2.gz WSDOJUGHVOBWES-FUHWJXTLSA-N 1 1 312.457 3.512 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000245544255 1026066088 /nfs/dbraw/zinc/06/60/88/1026066088.db2.gz RTFOJICSYMQJRV-VQIMIIECSA-N 1 1 306.409 3.967 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000356526674 1026077272 /nfs/dbraw/zinc/07/72/72/1026077272.db2.gz ONJMRTQAPFHFOF-RTBURBONSA-N 1 1 313.441 3.785 20 30 DHEDMO N#Cc1ccc(Cl)cc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000077994907 1026116585 /nfs/dbraw/zinc/11/65/85/1026116585.db2.gz SPVHXWVSOWHGQM-UHFFFAOYSA-N 1 1 303.837 3.666 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC1CCCCC1 ZINC001275500765 1026162486 /nfs/dbraw/zinc/16/24/86/1026162486.db2.gz QRDXRLYOHJDAMJ-IBGZPJMESA-N 1 1 304.478 3.600 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)cc1C#N ZINC000533079807 1026210954 /nfs/dbraw/zinc/21/09/54/1026210954.db2.gz PVDLRUFWOINDJE-BEFAXECRSA-N 1 1 306.409 3.945 20 30 DHEDMO CC(C)c1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1[N+](=O)[O-] ZINC000356932012 1026234254 /nfs/dbraw/zinc/23/42/54/1026234254.db2.gz IUCDZZYXTOZHES-UHFFFAOYSA-N 1 1 301.390 3.844 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000614397326 1026291307 /nfs/dbraw/zinc/29/13/07/1026291307.db2.gz KRMAUEUTGDSNRV-HXUWFJFHSA-N 1 1 306.409 3.830 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000614405933 1026299850 /nfs/dbraw/zinc/29/98/50/1026299850.db2.gz JIVGQDVQKSHRBX-LJQANCHMSA-N 1 1 310.372 3.659 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)Cc2scnc2C)c(O)c(OC)c1 ZINC000178891928 1026480337 /nfs/dbraw/zinc/48/03/37/1026480337.db2.gz KHRFMYBGOBZNHX-UHFFFAOYSA-N 1 1 318.442 3.526 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513371302 1026489390 /nfs/dbraw/zinc/48/93/90/1026489390.db2.gz NPOBURTYWVDJLZ-INIZCTEOSA-N 1 1 323.415 3.971 20 30 DHEDMO COc1ccccc1O[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000513381054 1026489432 /nfs/dbraw/zinc/48/94/32/1026489432.db2.gz OISIVXUFIITRFN-LJQANCHMSA-N 1 1 321.420 3.590 20 30 DHEDMO COc1ccccc1O[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000513381054 1026489435 /nfs/dbraw/zinc/48/94/35/1026489435.db2.gz OISIVXUFIITRFN-LJQANCHMSA-N 1 1 321.420 3.590 20 30 DHEDMO N#Cc1ccc(OCCC[N@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000809568787 1026553406 /nfs/dbraw/zinc/55/34/06/1026553406.db2.gz XHZNNKPWVZZVOC-UHFFFAOYSA-N 1 1 319.408 3.511 20 30 DHEDMO C#Cc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000809545556 1026557095 /nfs/dbraw/zinc/55/70/95/1026557095.db2.gz MYSUSMQBNQFAFC-UHFFFAOYSA-N 1 1 306.365 3.741 20 30 DHEDMO C#Cc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000809545556 1026557100 /nfs/dbraw/zinc/55/71/00/1026557100.db2.gz MYSUSMQBNQFAFC-UHFFFAOYSA-N 1 1 306.365 3.741 20 30 DHEDMO C#CC[N@H+](Cc1ccc(COCCOC)cc1)C1CCCCC1 ZINC000809557674 1026559280 /nfs/dbraw/zinc/55/92/80/1026559280.db2.gz ULBMUYOVMVBSOX-UHFFFAOYSA-N 1 1 315.457 3.618 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000809593245 1026567580 /nfs/dbraw/zinc/56/75/80/1026567580.db2.gz UJGBPWHGMHVTCR-NHCUHLMSSA-N 1 1 300.405 3.940 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)cc1 ZINC000809700472 1026587021 /nfs/dbraw/zinc/58/70/21/1026587021.db2.gz HEKPXEMULZQPBG-IEBWSBKVSA-N 1 1 315.457 3.604 20 30 DHEDMO C#C[C@H]([NH2+]Cc1cccc(C)c1O)c1ccc(Cl)cc1F ZINC000809699161 1026587455 /nfs/dbraw/zinc/58/74/55/1026587455.db2.gz OTXJSJNDOPOJIU-INIZCTEOSA-N 1 1 303.764 3.957 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1Cl)C(C)C ZINC000809685760 1026592880 /nfs/dbraw/zinc/59/28/80/1026592880.db2.gz PWLZGHXONYDCBZ-MRXNPFEDSA-N 1 1 301.821 3.582 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC000809767412 1026605252 /nfs/dbraw/zinc/60/52/52/1026605252.db2.gz KGRLBXPFUXVQOI-LJQANCHMSA-N 1 1 315.420 3.682 20 30 DHEDMO CC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@@H](C)c1cccnc1 ZINC000809763993 1026620432 /nfs/dbraw/zinc/62/04/32/1026620432.db2.gz BWUPJGBKLWCWPF-CVEARBPZSA-N 1 1 309.413 3.956 20 30 DHEDMO C#C[C@H]([NH2+]Cc1csc(COc2ccccc2)n1)C(C)(C)C ZINC000809782540 1026623876 /nfs/dbraw/zinc/62/38/76/1026623876.db2.gz XMQRXAZFILOGNZ-INIZCTEOSA-N 1 1 314.454 3.860 20 30 DHEDMO C#CC[N@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)C1CCCCC1 ZINC001307445236 1026652633 /nfs/dbraw/zinc/65/26/33/1026652633.db2.gz WGMCFIUMLXTNPI-LSDHHAIUSA-N 1 1 303.368 3.754 20 30 DHEDMO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)CCC1(F)F ZINC000810046480 1026668682 /nfs/dbraw/zinc/66/86/82/1026668682.db2.gz UEBWJWYXHAMRGZ-NSHDSACASA-N 1 1 314.763 3.719 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)CCC1(F)F ZINC000810046480 1026668686 /nfs/dbraw/zinc/66/86/86/1026668686.db2.gz UEBWJWYXHAMRGZ-NSHDSACASA-N 1 1 314.763 3.719 20 30 DHEDMO CCCC[N@H+](C)c1ccc(NCc2nc(C#N)cs2)cc1 ZINC000810150221 1026694559 /nfs/dbraw/zinc/69/45/59/1026694559.db2.gz QZXKHBNGMGCXJM-UHFFFAOYSA-N 1 1 300.431 3.863 20 30 DHEDMO CCCC[N@@H+](C)c1ccc(NCc2nc(C#N)cs2)cc1 ZINC000810150221 1026694567 /nfs/dbraw/zinc/69/45/67/1026694567.db2.gz QZXKHBNGMGCXJM-UHFFFAOYSA-N 1 1 300.431 3.863 20 30 DHEDMO C=CCc1ccccc1OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810525843 1026776340 /nfs/dbraw/zinc/77/63/40/1026776340.db2.gz XDUHEJIXCDRYJO-GOSISDBHSA-N 1 1 305.393 3.533 20 30 DHEDMO CC(C)[N@@H+](CCC#N)CCc1cccc(OC(F)(F)F)c1 ZINC000747618692 1026806094 /nfs/dbraw/zinc/80/60/94/1026806094.db2.gz BKRMSSWNWYPCEB-UHFFFAOYSA-N 1 1 300.324 3.752 20 30 DHEDMO C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000420933608 1026882051 /nfs/dbraw/zinc/88/20/51/1026882051.db2.gz GGMPPXVLQHHIHJ-WMZOPIPTSA-N 1 1 320.436 3.676 20 30 DHEDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000421002808 1026910940 /nfs/dbraw/zinc/91/09/40/1026910940.db2.gz DWLWYSGHPSOGJJ-DNVCBOLYSA-N 1 1 306.409 3.570 20 30 DHEDMO C=CCCCCOC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000811010521 1026913369 /nfs/dbraw/zinc/91/33/69/1026913369.db2.gz AWKVFXIQXWBKEC-UHFFFAOYSA-N 1 1 321.327 3.718 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@]23CCOC3)cc1 ZINC000421019898 1026918244 /nfs/dbraw/zinc/91/82/44/1026918244.db2.gz MXYCEDXCCFHRIL-HXUWFJFHSA-N 1 1 304.393 3.590 20 30 DHEDMO COc1ccc(C[NH2+]Cc2ccc(C#N)s2)c(Cl)c1OC ZINC000421356742 1026959218 /nfs/dbraw/zinc/95/92/18/1026959218.db2.gz YFVXWBRHJZVYMM-UHFFFAOYSA-N 1 1 322.817 3.580 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCS[C@@H](C)[C@H]2C)cc1OC ZINC000353854339 1027044960 /nfs/dbraw/zinc/04/49/60/1027044960.db2.gz JGFPTXXBWQEIDH-KGLIPLIRSA-N 1 1 307.459 3.586 20 30 DHEDMO Cl/C=C/CON=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000811669445 1027058284 /nfs/dbraw/zinc/05/82/84/1027058284.db2.gz OZQQRJBOPOXKQS-XVDUKEJLSA-N 1 1 304.821 3.939 20 30 DHEDMO COCC[N@H+](Cc1cccc(C#N)c1F)C[C@@H]1CC=CCC1 ZINC000362258425 1027117173 /nfs/dbraw/zinc/11/71/73/1027117173.db2.gz AZASYFYSZLVQTJ-OAHLLOKOSA-N 1 1 302.393 3.502 20 30 DHEDMO C[C@@H](C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)CO)c1ccccc1 ZINC000561910222 1027119935 /nfs/dbraw/zinc/11/99/35/1027119935.db2.gz OXGCUQLQCGGIJF-IRXDYDNUSA-N 1 1 308.425 3.545 20 30 DHEDMO Cc1ccc(F)c(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000561986165 1027163297 /nfs/dbraw/zinc/16/32/97/1027163297.db2.gz PDBCKQGDTKIRKF-UHFFFAOYSA-N 1 1 312.388 3.654 20 30 DHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CCOc2ccccc2C#N)C1 ZINC000362384741 1027176480 /nfs/dbraw/zinc/17/64/80/1027176480.db2.gz KSDILCKLWPTRER-CVEARBPZSA-N 1 1 304.459 3.543 20 30 DHEDMO CC(C)(C)[C@H]1CSCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000931590298 1027181801 /nfs/dbraw/zinc/18/18/01/1027181801.db2.gz AOXBJTQMHQOHEL-MRXNPFEDSA-N 1 1 304.459 3.552 20 30 DHEDMO C=CCC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000467303057 1027202686 /nfs/dbraw/zinc/20/26/86/1027202686.db2.gz RIIMEFQGZCFPJY-UHFFFAOYSA-N 1 1 315.442 3.565 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000467303057 1027202702 /nfs/dbraw/zinc/20/27/02/1027202702.db2.gz RIIMEFQGZCFPJY-UHFFFAOYSA-N 1 1 315.442 3.565 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)CC1 ZINC000931708643 1027228794 /nfs/dbraw/zinc/22/87/94/1027228794.db2.gz ZTPKILKTWTYRQK-TVPLGVNVSA-N 1 1 304.478 3.845 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2cncc(-c3cc(F)ccc3OC)c2)C1 ZINC000931714396 1027229747 /nfs/dbraw/zinc/22/97/47/1027229747.db2.gz GJVPRWGXKFDZMW-OAHLLOKOSA-N 1 1 324.399 3.742 20 30 DHEDMO Cc1cccc(CC[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 ZINC000572872879 1027239347 /nfs/dbraw/zinc/23/93/47/1027239347.db2.gz VOPJHSIULBDLOF-WOJBJXKFSA-N 1 1 305.425 3.704 20 30 DHEDMO O[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000747788623 1027251615 /nfs/dbraw/zinc/25/16/15/1027251615.db2.gz XRGGXZOUMQKKBN-RTWAWAEBSA-N 1 1 323.411 3.765 20 30 DHEDMO CCC1(CC)CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000362597630 1027302192 /nfs/dbraw/zinc/30/21/92/1027302192.db2.gz ZGWMDWJHNZZRBO-UHFFFAOYSA-N 1 1 317.433 3.609 20 30 DHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccccc2)cc1 ZINC000562249127 1027325012 /nfs/dbraw/zinc/32/50/12/1027325012.db2.gz NEWPGTIDDVJEAI-LJQANCHMSA-N 1 1 319.408 3.724 20 30 DHEDMO Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000422997902 1027385609 /nfs/dbraw/zinc/38/56/09/1027385609.db2.gz PCTVNZFNYVQWAT-DNVCBOLYSA-N 1 1 308.429 3.544 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)nc1 ZINC000562383182 1027400321 /nfs/dbraw/zinc/40/03/21/1027400321.db2.gz NBZCCUWSECVHDU-KRWDZBQOSA-N 1 1 311.816 3.814 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](Cc3nccs3)C2)c1 ZINC000932204112 1027412249 /nfs/dbraw/zinc/41/22/49/1027412249.db2.gz UTIXQUMQZAWSEW-CQSZACIVSA-N 1 1 315.417 3.609 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)cc1F ZINC000932203653 1027413330 /nfs/dbraw/zinc/41/33/30/1027413330.db2.gz LBIFBGWNTFKFFG-CYBMUJFWSA-N 1 1 315.417 3.609 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(OCC)c(F)c1)c1ccc(F)cc1 ZINC000812792248 1027419118 /nfs/dbraw/zinc/41/91/18/1027419118.db2.gz QRXXKFUGWXAYBO-KRWDZBQOSA-N 1 1 301.336 3.828 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(OCC(F)F)cc1)c1ccc(F)cc1 ZINC000812793199 1027419491 /nfs/dbraw/zinc/41/94/91/1027419491.db2.gz OLPJNNQRHUEWMN-KRWDZBQOSA-N 1 1 319.326 3.934 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccc(F)cc1 ZINC000812794331 1027422198 /nfs/dbraw/zinc/42/21/98/1027422198.db2.gz YUGUUDJGHYPSSX-MRXNPFEDSA-N 1 1 305.299 3.891 20 30 DHEDMO N#CC1(c2ccccc2)CCC([NH2+]CC2(N)CCCCC2)CC1 ZINC000423181281 1027440636 /nfs/dbraw/zinc/44/06/36/1027440636.db2.gz OOXAYOCYUBFROD-UHFFFAOYSA-N 1 1 311.473 3.642 20 30 DHEDMO CC[N@@H+](Cc1cccc(C#N)c1F)[C@H](C)[C@H](O)c1ccccc1 ZINC000812848243 1027445635 /nfs/dbraw/zinc/44/56/35/1027445635.db2.gz IMCQINDTHUXJFY-KUHUBIRLSA-N 1 1 312.388 3.641 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812854723 1027452732 /nfs/dbraw/zinc/45/27/32/1027452732.db2.gz VYRDQSKZZBPDCX-LIRRHRJNSA-N 1 1 312.388 3.641 20 30 DHEDMO CCC[N@@H+](C)C[C@H]1CCN(c2cccc(C(F)F)c2C#N)C1 ZINC000575137184 1027455823 /nfs/dbraw/zinc/45/58/23/1027455823.db2.gz RWWCJVJOBYHKNB-CYBMUJFWSA-N 1 1 307.388 3.664 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CN[C@@H](C)c1ccncc1F)C(C)C ZINC000575939630 1027531364 /nfs/dbraw/zinc/53/13/64/1027531364.db2.gz ATHLTWGBRMPUIY-YJBOKZPZSA-N 1 1 305.441 3.570 20 30 DHEDMO C=CC[C@H](C(=O)N(CC)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000576135286 1027569385 /nfs/dbraw/zinc/56/93/85/1027569385.db2.gz DMFOWHIMJLDLLX-MOPGFXCFSA-N 1 1 314.473 3.679 20 30 DHEDMO CC[C@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(C#N)cc1 ZINC000423528909 1027574974 /nfs/dbraw/zinc/57/49/74/1027574974.db2.gz PBOHIAFXWNCRQX-HEJMPPONSA-N 1 1 323.484 3.753 20 30 DHEDMO CCc1ccccc1[C@H](N)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423496411 1027575204 /nfs/dbraw/zinc/57/52/04/1027575204.db2.gz DQUNGNDKLFPDTI-ORAYPTAESA-N 1 1 311.404 3.610 20 30 DHEDMO C[C@H]1C[C@H](Nc2cc(C#N)ccc2C(F)(F)F)C[N@H+]1C1CC1 ZINC000576512714 1027626057 /nfs/dbraw/zinc/62/60/57/1027626057.db2.gz JQZMZWQGAKNSTJ-JQWIXIFHSA-N 1 1 309.335 3.614 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)[nH]n1 ZINC000363500918 1027656805 /nfs/dbraw/zinc/65/68/05/1027656805.db2.gz SCAVVFBHKUBKSA-MRXNPFEDSA-N 1 1 313.832 3.603 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)n[nH]1 ZINC000363500918 1027656811 /nfs/dbraw/zinc/65/68/11/1027656811.db2.gz SCAVVFBHKUBKSA-MRXNPFEDSA-N 1 1 313.832 3.603 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)n[nH]1 ZINC000363500918 1027656817 /nfs/dbraw/zinc/65/68/17/1027656817.db2.gz SCAVVFBHKUBKSA-MRXNPFEDSA-N 1 1 313.832 3.603 20 30 DHEDMO C[C@@H](c1ccccc1F)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000576784669 1027660129 /nfs/dbraw/zinc/66/01/29/1027660129.db2.gz HACMNOZIVQQYLV-HNNXBMFYSA-N 1 1 312.388 3.907 20 30 DHEDMO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 ZINC000933624379 1027777797 /nfs/dbraw/zinc/77/77/97/1027777797.db2.gz HRVPACIJBVMZTE-HXUWFJFHSA-N 1 1 322.408 3.530 20 30 DHEDMO CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 ZINC000933624379 1027777819 /nfs/dbraw/zinc/77/78/19/1027777819.db2.gz HRVPACIJBVMZTE-HXUWFJFHSA-N 1 1 322.408 3.530 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@H+](Cc3cc4ccccc4o3)CCO2)cc1 ZINC000933629337 1027779335 /nfs/dbraw/zinc/77/93/35/1027779335.db2.gz VDEQLVDXEFOMCV-FQEVSTJZSA-N 1 1 318.376 3.878 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@@H+](Cc3cc4ccccc4o3)CCO2)cc1 ZINC000933629337 1027779348 /nfs/dbraw/zinc/77/93/48/1027779348.db2.gz VDEQLVDXEFOMCV-FQEVSTJZSA-N 1 1 318.376 3.878 20 30 DHEDMO C=CC1(CC(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)CCCCC1 ZINC000933777426 1027823780 /nfs/dbraw/zinc/82/37/80/1027823780.db2.gz BKHPBDHDAJHGAI-KRWDZBQOSA-N 1 1 306.494 3.703 20 30 DHEDMO CC[C@H]1CCCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000577580432 1027829838 /nfs/dbraw/zinc/82/98/38/1027829838.db2.gz QCBCEHOPOHUUJL-INIZCTEOSA-N 1 1 310.401 3.763 20 30 DHEDMO C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000933815407 1027836269 /nfs/dbraw/zinc/83/62/69/1027836269.db2.gz UUZJEHMWIBQLJP-HKUYNNGSSA-N 1 1 314.473 3.569 20 30 DHEDMO C=CC1(CC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCCCC1 ZINC000933947154 1027865642 /nfs/dbraw/zinc/86/56/42/1027865642.db2.gz RYEXEYAHZIEDHA-SFHVURJKSA-N 1 1 318.505 3.703 20 30 DHEDMO Cc1ccc(C)c(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000577655552 1027869143 /nfs/dbraw/zinc/86/91/43/1027869143.db2.gz OQDHVKNJKSGDES-UHFFFAOYSA-N 1 1 308.425 3.824 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000298258650 1027898357 /nfs/dbraw/zinc/89/83/57/1027898357.db2.gz VGEPEBNRSNRKTK-AWEZNQCLSA-N 1 1 324.380 3.687 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000298258650 1027898371 /nfs/dbraw/zinc/89/83/71/1027898371.db2.gz VGEPEBNRSNRKTK-AWEZNQCLSA-N 1 1 324.380 3.687 20 30 DHEDMO CC(C)c1ccc(C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000007905671 1027900487 /nfs/dbraw/zinc/90/04/87/1027900487.db2.gz ZOPQZQSWNZUHSU-UHFFFAOYSA-N 1 1 321.424 3.752 20 30 DHEDMO CC(C)c1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000007905671 1027900501 /nfs/dbraw/zinc/90/05/01/1027900501.db2.gz ZOPQZQSWNZUHSU-UHFFFAOYSA-N 1 1 321.424 3.752 20 30 DHEDMO CCc1nccc([C@@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000365413926 1027942855 /nfs/dbraw/zinc/94/28/55/1027942855.db2.gz QYECXLYBTVTOKC-CRAIPNDOSA-N 1 1 320.440 3.851 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2CCCCC(C)(C)C#N)nc1 ZINC000934343469 1027973986 /nfs/dbraw/zinc/97/39/86/1027973986.db2.gz LIABPQDGSACROK-QGZVFWFLSA-N 1 1 301.434 3.947 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Sc3ccccn3)o2)cc1 ZINC000814289517 1027992153 /nfs/dbraw/zinc/99/21/53/1027992153.db2.gz PALODGHOUYVHJQ-UHFFFAOYSA-N 1 1 321.405 3.987 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCc3ccccc3C2)c1O ZINC000008052639 1027993600 /nfs/dbraw/zinc/99/36/00/1027993600.db2.gz NVKPVAOWZQREIU-UHFFFAOYSA-N 1 1 309.409 3.688 20 30 DHEDMO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1nc(-c2ccc(F)cc2)no1 ZINC000365817124 1028009853 /nfs/dbraw/zinc/00/98/53/1028009853.db2.gz PRQAESLWWGOGOB-HUBLWGQQSA-N 1 1 314.364 3.609 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000934470869 1028012283 /nfs/dbraw/zinc/01/22/83/1028012283.db2.gz GJHXQNHAWGQELL-ZDUSSCGKSA-N 1 1 315.442 3.827 20 30 DHEDMO C=CC[C@H]1CC[N@H+]1Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000934470869 1028012297 /nfs/dbraw/zinc/01/22/97/1028012297.db2.gz GJHXQNHAWGQELL-ZDUSSCGKSA-N 1 1 315.442 3.827 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000934468310 1028012516 /nfs/dbraw/zinc/01/25/16/1028012516.db2.gz BQQAILCAGXKQDW-AWEZNQCLSA-N 1 1 303.793 3.583 20 30 DHEDMO C=CCC(CC=C)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000366030543 1028035876 /nfs/dbraw/zinc/03/58/76/1028035876.db2.gz BSBOOCNRWVONSU-KRWDZBQOSA-N 1 1 315.461 3.766 20 30 DHEDMO CC(=O)c1ccc(C#N)c(NC[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000528118910 1028115532 /nfs/dbraw/zinc/11/55/32/1028115532.db2.gz SLRKNILOCIYHPL-GOSISDBHSA-N 1 1 311.429 3.580 20 30 DHEDMO C#CCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000814675690 1028148878 /nfs/dbraw/zinc/14/88/78/1028148878.db2.gz SONHQSUTWSZXTO-HNNXBMFYSA-N 1 1 311.347 3.881 20 30 DHEDMO C#CCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000814675690 1028148890 /nfs/dbraw/zinc/14/88/90/1028148890.db2.gz SONHQSUTWSZXTO-HNNXBMFYSA-N 1 1 311.347 3.881 20 30 DHEDMO CC(N=Nc1ccc(Cl)nc1)c1ccc(C[NH+](C)C)cc1 ZINC000814859246 1028246699 /nfs/dbraw/zinc/24/66/99/1028246699.db2.gz QIRGNZXQDXPHEC-UHFFFAOYSA-N 1 1 302.809 3.633 20 30 DHEDMO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ccc(F)c2ccccc12 ZINC000814885898 1028261825 /nfs/dbraw/zinc/26/18/25/1028261825.db2.gz MLIBZZOECXTYJH-ROUUACIJSA-N 1 1 324.403 3.563 20 30 DHEDMO Cn1cc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000367971683 1028268190 /nfs/dbraw/zinc/26/81/90/1028268190.db2.gz DMEXPYKETBOIBJ-IBGZPJMESA-N 1 1 320.440 3.579 20 30 DHEDMO C[C@@H]1C(=NOCCC(F)(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000814909319 1028275985 /nfs/dbraw/zinc/27/59/85/1028275985.db2.gz HBFDBMUNLBFMMQ-CYBMUJFWSA-N 1 1 314.351 3.996 20 30 DHEDMO COc1cc(F)ccc1N=NC(C)c1ccc(C[NH+](C)C)cc1 ZINC000814916661 1028299211 /nfs/dbraw/zinc/29/92/11/1028299211.db2.gz VIUAFXDMVVWDOY-UHFFFAOYSA-N 1 1 315.392 3.732 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528341114 1028322432 /nfs/dbraw/zinc/32/24/32/1028322432.db2.gz XBAFVNZPYWEXPV-QGZVFWFLSA-N 1 1 318.486 3.670 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528341114 1028322447 /nfs/dbraw/zinc/32/24/47/1028322447.db2.gz XBAFVNZPYWEXPV-QGZVFWFLSA-N 1 1 318.486 3.670 20 30 DHEDMO C#CCNC(=O)CC[N@H+]([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000815035420 1028340846 /nfs/dbraw/zinc/34/08/46/1028340846.db2.gz LERKYSSVXIXQEE-INIZCTEOSA-N 1 1 320.436 3.505 20 30 DHEDMO C[C@H]1CCCCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000579309645 1028377401 /nfs/dbraw/zinc/37/74/01/1028377401.db2.gz ZEQUOAOKPPUXNG-INIZCTEOSA-N 1 1 323.444 3.623 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C3CCCC3)cc2)C1=O ZINC000564253369 1028383050 /nfs/dbraw/zinc/38/30/50/1028383050.db2.gz YYHOVIJVUUNYQK-LJQANCHMSA-N 1 1 312.457 3.563 20 30 DHEDMO C#CCCOc1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)cc1 ZINC000815152764 1028383761 /nfs/dbraw/zinc/38/37/61/1028383761.db2.gz VPEBUTYYAAHTRH-UHFFFAOYSA-N 1 1 319.326 3.796 20 30 DHEDMO COCC[C@H]1CCCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000368659939 1028392303 /nfs/dbraw/zinc/39/23/03/1028392303.db2.gz QCKCSAQHGOCKAS-DLBZAZTESA-N 1 1 316.445 3.616 20 30 DHEDMO C=C[C@@H](CC)CC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000935794118 1028398551 /nfs/dbraw/zinc/39/85/51/1028398551.db2.gz HYLGTVLQOJFHEI-FXAWDEMLSA-N 1 1 314.473 3.617 20 30 DHEDMO C=CC[C@H](C(=O)OCCCCn1cc[nH+]c1C)c1ccccc1 ZINC000778418306 1028428055 /nfs/dbraw/zinc/42/80/55/1028428055.db2.gz LWWUNHZUJATBJK-SFHVURJKSA-N 1 1 312.413 3.875 20 30 DHEDMO CCc1nccc([C@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000369000127 1028433643 /nfs/dbraw/zinc/43/36/43/1028433643.db2.gz HSYPIVURMINMEO-INIZCTEOSA-N 1 1 314.477 3.938 20 30 DHEDMO CC(C)c1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000369032377 1028436022 /nfs/dbraw/zinc/43/60/22/1028436022.db2.gz JIXAYFDTCNJBPE-GOSISDBHSA-N 1 1 308.429 3.715 20 30 DHEDMO C#CC[NH2+]C1(c2nc(-c3ccccc3F)c(C)s2)CCC1 ZINC000815302427 1028454956 /nfs/dbraw/zinc/45/49/56/1028454956.db2.gz RCUMSNDGMNSMCS-UHFFFAOYSA-N 1 1 300.402 3.860 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cccc2ccoc21 ZINC000449329836 1028542409 /nfs/dbraw/zinc/54/24/09/1028542409.db2.gz PZNRDJVDBFRQKU-UHFFFAOYSA-N 1 1 320.392 3.953 20 30 DHEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000370231511 1028579451 /nfs/dbraw/zinc/57/94/51/1028579451.db2.gz SGXWHGWGMIKPBO-UZLBHIALSA-N 1 1 321.424 3.805 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(OCC)ccc1O ZINC000779167356 1028593331 /nfs/dbraw/zinc/59/33/31/1028593331.db2.gz DKZANPCBAVUTHM-UHFFFAOYSA-N 1 1 301.386 3.615 20 30 DHEDMO N#Cc1c(F)ccc(C[NH2+][C@H]2CCOc3ccccc32)c1Cl ZINC000370448676 1028602629 /nfs/dbraw/zinc/60/26/29/1028602629.db2.gz UYDGJAUHDWOTJX-HNNXBMFYSA-N 1 1 316.763 3.964 20 30 DHEDMO C[C@@H]1C[C@H](c2ccsc2)C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000370564502 1028618772 /nfs/dbraw/zinc/61/87/72/1028618772.db2.gz BNDMBTCTAHEMDY-BVGQSLNGSA-N 1 1 312.438 3.531 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000449454605 1028658396 /nfs/dbraw/zinc/65/83/96/1028658396.db2.gz PELPZFQBBSTOPK-AQNXPRMDSA-N 1 1 315.457 3.767 20 30 DHEDMO C=C(C)C[N@@H+](C)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000371249980 1028681695 /nfs/dbraw/zinc/68/16/95/1028681695.db2.gz QODBNHVDFHWBIH-UHFFFAOYSA-N 1 1 319.424 3.578 20 30 DHEDMO C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)(C)C ZINC000566185004 1028685546 /nfs/dbraw/zinc/68/55/46/1028685546.db2.gz SRHCPGYAYCPNQT-UHFFFAOYSA-N 1 1 319.474 3.557 20 30 DHEDMO CC(C)n1cc(C2=CCC[N@@H+](CC(C)(C)CCC#N)CC2)nn1 ZINC000449467248 1028685550 /nfs/dbraw/zinc/68/55/50/1028685550.db2.gz ACEPFELZBKKXID-UHFFFAOYSA-N 1 1 315.465 3.668 20 30 DHEDMO N#CCSCCC[N@@H+]1CC[C@@H](Cc2cccc(Cl)c2)C1 ZINC000371361955 1028695920 /nfs/dbraw/zinc/69/59/20/1028695920.db2.gz WMIOSUYUCBTCFC-HNNXBMFYSA-N 1 1 308.878 3.851 20 30 DHEDMO C[C@@H]1C[C@H](c2cccs2)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000371397878 1028702218 /nfs/dbraw/zinc/70/22/18/1028702218.db2.gz FUCNRABFOWTZAY-HIFRSBDPSA-N 1 1 322.437 3.645 20 30 DHEDMO Cc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)ccc1C#N ZINC000449518590 1028744172 /nfs/dbraw/zinc/74/41/72/1028744172.db2.gz OGYSTRMXOTVMIH-MOPGFXCFSA-N 1 1 310.441 3.648 20 30 DHEDMO N#Cc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]4CCC[C@H]43)o2)cc1 ZINC000371786408 1028758711 /nfs/dbraw/zinc/75/87/11/1028758711.db2.gz IKZMCXAUJICPLY-DOTOQJQBSA-N 1 1 307.397 3.978 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(OC)c1 ZINC000011364979 1028763202 /nfs/dbraw/zinc/76/32/02/1028763202.db2.gz GDGKBYNLQGEEKR-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO COc1ccc(C[N@H+](Cc2cc(C#N)ccc2F)C2CC2)cc1 ZINC000011438821 1028780878 /nfs/dbraw/zinc/78/08/78/1028780878.db2.gz COSDNYXRHXKCIE-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)cc1 ZINC000011438821 1028780898 /nfs/dbraw/zinc/78/08/98/1028780898.db2.gz COSDNYXRHXKCIE-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO C[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1F ZINC000567278685 1028866256 /nfs/dbraw/zinc/86/62/56/1028866256.db2.gz GDWSSMFCEIEJQI-PZROIBLQSA-N 1 1 316.351 3.609 20 30 DHEDMO CC#CCCCC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000816455890 1028878150 /nfs/dbraw/zinc/87/81/50/1028878150.db2.gz XLMGOZMBPSLXOZ-PKOBYXMFSA-N 1 1 313.441 3.634 20 30 DHEDMO C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)C(=O)OCC ZINC000449657187 1028890221 /nfs/dbraw/zinc/89/02/21/1028890221.db2.gz NYPOIOJMWROFME-NXHRZFHOSA-N 1 1 316.445 3.595 20 30 DHEDMO CC(C)C[N@H+](Cc1cnn(C)c1Cl)Cc1ccc(C#N)cc1 ZINC000816491020 1028896781 /nfs/dbraw/zinc/89/67/81/1028896781.db2.gz SOEQLNSAQPWXBO-UHFFFAOYSA-N 1 1 316.836 3.603 20 30 DHEDMO CC(C)C[N@@H+](Cc1cnn(C)c1Cl)Cc1ccc(C#N)cc1 ZINC000816491020 1028896791 /nfs/dbraw/zinc/89/67/91/1028896791.db2.gz SOEQLNSAQPWXBO-UHFFFAOYSA-N 1 1 316.836 3.603 20 30 DHEDMO C[N@@H+](CCCC#N)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000372944945 1028924143 /nfs/dbraw/zinc/92/41/43/1028924143.db2.gz GPLGTIVZPWCJJT-UHFFFAOYSA-N 1 1 301.365 3.649 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000567989739 1028988761 /nfs/dbraw/zinc/98/87/61/1028988761.db2.gz OXGWURFSRVYBEY-UHFFFAOYSA-N 1 1 307.353 3.631 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000567989739 1028988775 /nfs/dbraw/zinc/98/87/75/1028988775.db2.gz OXGWURFSRVYBEY-UHFFFAOYSA-N 1 1 307.353 3.631 20 30 DHEDMO C=CCOc1c(Cl)cc(C[NH+]2CC(C3CC3)C2)cc1OC ZINC000628288648 1028992965 /nfs/dbraw/zinc/99/29/65/1028992965.db2.gz QEKNHZKLRDYRJV-UHFFFAOYSA-N 1 1 307.821 3.755 20 30 DHEDMO CC[N@@H+](CC(=O)N(C(C)C)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000042741839 1029052633 /nfs/dbraw/zinc/05/26/33/1029052633.db2.gz WDKWLDXFQFGOHF-MRXNPFEDSA-N 1 1 315.461 3.587 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(Nc2ccc(OCC#N)cc2)cc1 ZINC001212608844 1029071076 /nfs/dbraw/zinc/07/10/76/1029071076.db2.gz IQGYRCLNZXQDAC-UHFFFAOYSA-N 1 1 304.353 3.827 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000411400535 1029121450 /nfs/dbraw/zinc/12/14/50/1029121450.db2.gz UPJFGZRXCLCOFB-CHWSQXEVSA-N 1 1 301.365 3.839 20 30 DHEDMO CCCCCCCCCC[C@@H](C)[NH2+]CCN1CCN(C)CC1 ZINC001257548732 1029146928 /nfs/dbraw/zinc/14/69/28/1029146928.db2.gz YKGKVZGLMCFVRD-LJQANCHMSA-N 1 1 311.558 3.743 20 30 DHEDMO CC[C@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1ccc(C#N)cc1 ZINC000373924482 1029170108 /nfs/dbraw/zinc/17/01/08/1029170108.db2.gz SDCRGEWKZFHOGC-YOEHRIQHSA-N 1 1 323.444 3.678 20 30 DHEDMO COCC[N@@H+](CCC1(C#N)CCCCC1)[C@@H]1CCCSC1 ZINC000411761691 1029203072 /nfs/dbraw/zinc/20/30/72/1029203072.db2.gz VGDNDEUPGKWIKC-MRXNPFEDSA-N 1 1 310.507 3.695 20 30 DHEDMO N#CC1(CC[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)CCCCC1 ZINC000411815145 1029216140 /nfs/dbraw/zinc/21/61/40/1029216140.db2.gz FISUEYPAMZPQDW-ZWKOTPCHSA-N 1 1 304.478 3.724 20 30 DHEDMO C[N@H+](Cc1c[nH]nc1-c1ccccc1)Cc1cc(C#N)ccc1F ZINC000155398488 1029229550 /nfs/dbraw/zinc/22/95/50/1029229550.db2.gz AUSRBRNJVSFHJR-UHFFFAOYSA-N 1 1 320.371 3.719 20 30 DHEDMO C[N@@H+](Cc1c[nH]nc1-c1ccccc1)Cc1cc(C#N)ccc1F ZINC000155398488 1029229566 /nfs/dbraw/zinc/22/95/66/1029229566.db2.gz AUSRBRNJVSFHJR-UHFFFAOYSA-N 1 1 320.371 3.719 20 30 DHEDMO C[N@H+](Cc1cccc(-n2cccn2)c1)Cc1cc(C#N)ccc1F ZINC000155395942 1029229828 /nfs/dbraw/zinc/22/98/28/1029229828.db2.gz SCZGOSUYDJSUDP-UHFFFAOYSA-N 1 1 320.371 3.515 20 30 DHEDMO C[N@@H+](Cc1cccc(-n2cccn2)c1)Cc1cc(C#N)ccc1F ZINC000155395942 1029229840 /nfs/dbraw/zinc/22/98/40/1029229840.db2.gz SCZGOSUYDJSUDP-UHFFFAOYSA-N 1 1 320.371 3.515 20 30 DHEDMO C[N@@H+](Cc1cc(C#N)ccc1F)CC1=Cc2ccccc2OC1 ZINC000155416525 1029231325 /nfs/dbraw/zinc/23/13/25/1029231325.db2.gz KBTXCZBASBPQLI-UHFFFAOYSA-N 1 1 308.356 3.605 20 30 DHEDMO C[N@H+](Cc1cc(C#N)ccc1F)CC1=Cc2ccccc2OC1 ZINC000155416525 1029231340 /nfs/dbraw/zinc/23/13/40/1029231340.db2.gz KBTXCZBASBPQLI-UHFFFAOYSA-N 1 1 308.356 3.605 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCCO[C@H]3CCC[C@H]32)c1 ZINC000374254700 1029259113 /nfs/dbraw/zinc/25/91/13/1029259113.db2.gz NEUGICJYGPNWOL-MOPGFXCFSA-N 1 1 314.429 3.513 20 30 DHEDMO CC(C)c1nnc([C@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)[nH]1 ZINC000569821477 1029268794 /nfs/dbraw/zinc/26/87/94/1029268794.db2.gz NEEBKASGHHCVTK-SUMWQHHRSA-N 1 1 323.444 3.918 20 30 DHEDMO N#CCSCCC[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411992615 1029271136 /nfs/dbraw/zinc/27/11/36/1029271136.db2.gz VOIIBCZXMKEHCF-QGZVFWFLSA-N 1 1 300.471 3.903 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000411993372 1029273135 /nfs/dbraw/zinc/27/31/35/1029273135.db2.gz ZBGQQVKSYLAHLS-HXUWFJFHSA-N 1 1 318.420 3.912 20 30 DHEDMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC2(C#N)CCC2)c1 ZINC000450248597 1029300587 /nfs/dbraw/zinc/30/05/87/1029300587.db2.gz SVARWIQBBSLJEB-INIZCTEOSA-N 1 1 300.402 3.535 20 30 DHEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC2(C#N)CCC2)c1 ZINC000450248597 1029300601 /nfs/dbraw/zinc/30/06/01/1029300601.db2.gz SVARWIQBBSLJEB-INIZCTEOSA-N 1 1 300.402 3.535 20 30 DHEDMO Cn1cc(C[N@@H+](C)CCc2cccc3ccccc32)cc1C#N ZINC000191285943 1029354552 /nfs/dbraw/zinc/35/45/52/1029354552.db2.gz BDSRHGSQTSNCET-UHFFFAOYSA-N 1 1 303.409 3.724 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCCC1(F)F ZINC000450316986 1029368483 /nfs/dbraw/zinc/36/84/83/1029368483.db2.gz RVWFPWBXADVMNO-QGZVFWFLSA-N 1 1 322.399 3.832 20 30 DHEDMO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1ccc(C#N)cc1 ZINC000374624815 1029408085 /nfs/dbraw/zinc/40/80/85/1029408085.db2.gz RBMSPOROCVLZLK-QRWLVFNGSA-N 1 1 316.408 3.732 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450429545 1029461022 /nfs/dbraw/zinc/46/10/22/1029461022.db2.gz LUWSIGIERHFAEN-UHFFFAOYSA-N 1 1 309.475 3.658 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000121076873 1029492543 /nfs/dbraw/zinc/49/25/43/1029492543.db2.gz IALQEKXKALHTGY-CABCVRRESA-N 1 1 306.475 3.698 20 30 DHEDMO C[C@@H](N[NH+]=Cc1ccc(N2CCCCC2)s1)c1ccncc1 ZINC000819814545 1029612541 /nfs/dbraw/zinc/61/25/41/1029612541.db2.gz BGGXXSBUGWGJMM-CQSZACIVSA-N 1 1 314.458 3.818 20 30 DHEDMO CC(C)C[C@@]1(C)CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000451293155 1029841229 /nfs/dbraw/zinc/84/12/29/1029841229.db2.gz VIGIZLJEKYAABO-LJQANCHMSA-N 1 1 313.445 3.787 20 30 DHEDMO O[C@@H]1CCC[C@H]1[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000451341743 1029851849 /nfs/dbraw/zinc/85/18/49/1029851849.db2.gz LQUOBODFKCLUMJ-QXAKKESOSA-N 1 1 317.860 3.707 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000451413473 1029869844 /nfs/dbraw/zinc/86/98/44/1029869844.db2.gz YPDFDAQGQLJABG-SMDDNHRTSA-N 1 1 312.335 3.730 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCCSCC2)ccc1OC ZINC000357213090 1029949030 /nfs/dbraw/zinc/94/90/30/1029949030.db2.gz LKEWZHGHAXAUAA-UHFFFAOYSA-N 1 1 307.459 3.589 20 30 DHEDMO CC[N@@H+](CCNc1c(C#N)cnc2c(F)cc(F)cc21)C(C)C ZINC000357268033 1029976577 /nfs/dbraw/zinc/97/65/77/1029976577.db2.gz XGYCSJIFNJCCFP-UHFFFAOYSA-N 1 1 318.371 3.527 20 30 DHEDMO CC[C@H]([NH2+]Cc1ccccc1C#N)c1cccc(OC)c1OC ZINC000865757299 1030005003 /nfs/dbraw/zinc/00/50/03/1030005003.db2.gz IGSCUHZLVKXJCO-KRWDZBQOSA-N 1 1 310.397 3.816 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000451902498 1030052954 /nfs/dbraw/zinc/05/29/54/1030052954.db2.gz OMVDJDNFHXLEDC-KRWDZBQOSA-N 1 1 323.358 3.559 20 30 DHEDMO COC[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000452086050 1030123089 /nfs/dbraw/zinc/12/30/89/1030123089.db2.gz OMBMJPXPZUSWKA-INIZCTEOSA-N 1 1 300.446 3.736 20 30 DHEDMO C=C(Br)C[NH2+][C@@H](CC)c1cccc(OC)c1OC ZINC000866259381 1030185861 /nfs/dbraw/zinc/18/58/61/1030185861.db2.gz ASALFRMZVASFPC-LBPRGKRZSA-N 1 1 314.223 3.653 20 30 DHEDMO C=C(C)C[N@@H+](CC[C@@H]1CC1(Cl)Cl)Cc1ccc(CO)o1 ZINC000823116250 1030213816 /nfs/dbraw/zinc/21/38/16/1030213816.db2.gz SPMOOOLRIHMSHK-GFCCVEGCSA-N 1 1 318.244 3.734 20 30 DHEDMO CCSc1ccc(-c2noc([C@H]([NH3+])CCCC#N)n2)cc1 ZINC000823128511 1030216261 /nfs/dbraw/zinc/21/62/61/1030216261.db2.gz IPDWHUDEEPKRPG-CYBMUJFWSA-N 1 1 302.403 3.542 20 30 DHEDMO Cc1ccc([C@@H](c2noc([C@@H]([NH3+])CCCC#N)n2)C(C)C)cc1 ZINC000823200437 1030227420 /nfs/dbraw/zinc/22/74/20/1030227420.db2.gz VQOGRKYFTDWJDD-HOTGVXAUSA-N 1 1 312.417 3.860 20 30 DHEDMO N#CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000924942703 1030232260 /nfs/dbraw/zinc/23/22/60/1030232260.db2.gz PTMJWCHESGVYMU-IHWFROFDSA-N 1 1 311.473 3.856 20 30 DHEDMO CC1(C)CC[C@@H](c2noc([C@@H]([NH3+])CCCC#N)n2)c2ccccc21 ZINC000823287675 1030257464 /nfs/dbraw/zinc/25/74/64/1030257464.db2.gz PSCMXIKNRVJEFP-ZBFHGGJFSA-N 1 1 324.428 3.967 20 30 DHEDMO C[C@H](C#N)C[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823408354 1030280933 /nfs/dbraw/zinc/28/09/33/1030280933.db2.gz CXDOIPPLRNKTML-OAHLLOKOSA-N 1 1 313.470 3.976 20 30 DHEDMO C[C@H](C#N)C[N@@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823408354 1030280947 /nfs/dbraw/zinc/28/09/47/1030280947.db2.gz CXDOIPPLRNKTML-OAHLLOKOSA-N 1 1 313.470 3.976 20 30 DHEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000533390745 1030325436 /nfs/dbraw/zinc/32/54/36/1030325436.db2.gz YREBTLYOTKIPKX-IBGZPJMESA-N 1 1 308.425 3.610 20 30 DHEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@](C)(O)c1ccccc1 ZINC000823598435 1030337519 /nfs/dbraw/zinc/33/75/19/1030337519.db2.gz IEAAKMBWMRCILO-NRFANRHFSA-N 1 1 322.452 3.827 20 30 DHEDMO Cc1cc(F)ccc1[C@H](O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000823619129 1030342096 /nfs/dbraw/zinc/34/20/96/1030342096.db2.gz XYBUYAUDPLRGCP-AUUYWEPGSA-N 1 1 312.388 3.732 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccccc1Cl ZINC000823618743 1030343691 /nfs/dbraw/zinc/34/36/91/1030343691.db2.gz UVZFRCSPHPFVFS-ACJLOTCBSA-N 1 1 314.816 3.938 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000823617291 1030343837 /nfs/dbraw/zinc/34/38/37/1030343837.db2.gz IBCBGPSSRQRKCQ-HNNXBMFYSA-N 1 1 305.381 3.654 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H]2CCOc3c(Cl)cccc32)c(F)c1 ZINC000358206991 1030379435 /nfs/dbraw/zinc/37/94/35/1030379435.db2.gz TYTANXAVSHDYFJ-INIZCTEOSA-N 1 1 316.763 3.964 20 30 DHEDMO C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1CCC(C)(C)C#N ZINC000558118938 1030429840 /nfs/dbraw/zinc/42/98/40/1030429840.db2.gz SSAFYCOEGJARDC-MRXNPFEDSA-N 1 1 322.456 3.685 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1ncccc1F ZINC000794983352 1030509732 /nfs/dbraw/zinc/50/97/32/1030509732.db2.gz GLQCZKBMPMRSTM-AWEZNQCLSA-N 1 1 312.392 3.531 20 30 DHEDMO CC(C)(C)Oc1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C#N ZINC000824722347 1030622938 /nfs/dbraw/zinc/62/29/38/1030622938.db2.gz QMNJXOWLVSDIQS-DLBZAZTESA-N 1 1 313.445 3.774 20 30 DHEDMO C[C@H]1CCC[N@H+](C(C)(C)CNc2ncc(C#N)cc2Cl)C1 ZINC000358868405 1030658304 /nfs/dbraw/zinc/65/83/04/1030658304.db2.gz BNNLLKCSUBTOAQ-LBPRGKRZSA-N 1 1 306.841 3.529 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCCC#N ZINC000249475287 1030797210 /nfs/dbraw/zinc/79/72/10/1030797210.db2.gz VIFLXGGSXLEZRP-XHSDSOJGSA-N 1 1 306.450 3.655 20 30 DHEDMO N#Cc1cccc(Cl)c1C[NH+]1CCC2(CCCOC2)CC1 ZINC001143732875 1030929086 /nfs/dbraw/zinc/92/90/86/1030929086.db2.gz VMOPJEWVZYSGFK-UHFFFAOYSA-N 1 1 304.821 3.604 20 30 DHEDMO C=CCCC[C@H]([NH2+][C@H](C)c1cc(CO)on1)c1ccccc1 ZINC000926856623 1030953143 /nfs/dbraw/zinc/95/31/43/1030953143.db2.gz XSUHQHZHCCKJAU-PBHICJAKSA-N 1 1 300.402 3.915 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000359512758 1030999916 /nfs/dbraw/zinc/99/99/16/1030999916.db2.gz CJOJYQKXLRRFBL-IAGOWNOFSA-N 1 1 316.493 3.929 20 30 DHEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C(C)C)cc1 ZINC001275655822 1031005712 /nfs/dbraw/zinc/00/57/12/1031005712.db2.gz SGOXRTMYJRYUHH-RTBURBONSA-N 1 1 312.457 3.561 20 30 DHEDMO CC[N@@H+](CCC/N=C/c1cccc(O)c1O)C1CCCCC1 ZINC000844270490 1031034168 /nfs/dbraw/zinc/03/41/68/1031034168.db2.gz HZSUONTZLDVKAK-XMHGGMMESA-N 1 1 304.434 3.561 20 30 DHEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)Cc2ccccc21 ZINC000844255850 1031040745 /nfs/dbraw/zinc/04/07/45/1031040745.db2.gz MJRZKIGZRPDSRW-HNNXBMFYSA-N 1 1 319.408 3.506 20 30 DHEDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000844357810 1031083592 /nfs/dbraw/zinc/08/35/92/1031083592.db2.gz QXYXHHOUYHENFK-FQEVSTJZSA-N 1 1 324.399 3.892 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CC2)c(Br)c1 ZINC000611500863 1031096693 /nfs/dbraw/zinc/09/66/93/1031096693.db2.gz WJUASKDWDGSIIA-OAHLLOKOSA-N 1 1 305.219 3.695 20 30 DHEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000359867804 1031171959 /nfs/dbraw/zinc/17/19/59/1031171959.db2.gz BIMVGXYHRQNADB-SUMWQHHRSA-N 1 1 305.853 3.516 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)nc1 ZINC001144150119 1031287437 /nfs/dbraw/zinc/28/74/37/1031287437.db2.gz UQVFZUDFWMTYLU-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)nc1 ZINC001144150119 1031287440 /nfs/dbraw/zinc/28/74/40/1031287440.db2.gz UQVFZUDFWMTYLU-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCS[C@H](C(C)C)C2)cc(OC)c1O ZINC000536672541 1031379680 /nfs/dbraw/zinc/37/96/80/1031379680.db2.gz SIPQYXIGWMTCHC-KRWDZBQOSA-N 1 1 321.486 3.703 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)C[C@@H]1COc2ccccc2O1 ZINC000929229813 1031473284 /nfs/dbraw/zinc/47/32/84/1031473284.db2.gz HKSGIPVJLBHKRI-MRXNPFEDSA-N 1 1 314.429 3.622 20 30 DHEDMO C[C@H]1CCSCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000429765117 1031475200 /nfs/dbraw/zinc/47/52/00/1031475200.db2.gz AALVQZVDAQUTPU-ZDUSSCGKSA-N 1 1 313.388 3.884 20 30 DHEDMO C=CCCCC(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000536925158 1031475429 /nfs/dbraw/zinc/47/54/29/1031475429.db2.gz LVSUICYNHCGBOP-UHFFFAOYSA-N 1 1 308.510 3.949 20 30 DHEDMO COC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)c1C#N ZINC000537105737 1031509100 /nfs/dbraw/zinc/50/91/00/1031509100.db2.gz VVMLSKMHGOBQKO-HNNXBMFYSA-N 1 1 322.408 3.813 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1CF ZINC000929395424 1031511590 /nfs/dbraw/zinc/51/15/90/1031511590.db2.gz RKOMENGLHRUFSC-UHFFFAOYSA-N 1 1 312.388 3.676 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360668708 1031511957 /nfs/dbraw/zinc/51/19/57/1031511957.db2.gz JHWHADQUGYWVHU-FQEVSTJZSA-N 1 1 322.383 3.719 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360668708 1031511966 /nfs/dbraw/zinc/51/19/66/1031511966.db2.gz JHWHADQUGYWVHU-FQEVSTJZSA-N 1 1 322.383 3.719 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000929490168 1031532317 /nfs/dbraw/zinc/53/23/17/1031532317.db2.gz XBWOAMAJNQBUPS-JRSKDTKFSA-N 1 1 320.383 3.668 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000929490168 1031532321 /nfs/dbraw/zinc/53/23/21/1031532321.db2.gz XBWOAMAJNQBUPS-JRSKDTKFSA-N 1 1 320.383 3.668 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000929506465 1031534135 /nfs/dbraw/zinc/53/41/35/1031534135.db2.gz ALLUNDXLJKILEG-VMBOVVBDSA-N 1 1 312.413 3.882 20 30 DHEDMO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1N(C)C)c1ccc(C#N)cc1 ZINC000360759076 1031548921 /nfs/dbraw/zinc/54/89/21/1031548921.db2.gz MHYZVKBDKSWCFJ-IWMITWMQSA-N 1 1 319.452 3.827 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@H](C)c2c(F)cccc2F)no1 ZINC000872174947 1031548940 /nfs/dbraw/zinc/54/89/40/1031548940.db2.gz IDEVGJFCRCJQBJ-KCJUWKMLSA-N 1 1 313.735 3.642 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2ccc(OC(C)C)cc2)no1 ZINC000872175108 1031550212 /nfs/dbraw/zinc/55/02/12/1031550212.db2.gz GSWYEQACDGAXOW-AWEZNQCLSA-N 1 1 321.808 3.590 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(SCC)cc2)no1 ZINC000872179759 1031553798 /nfs/dbraw/zinc/55/37/98/1031553798.db2.gz FZMWKBQCIVFLJZ-GFCCVEGCSA-N 1 1 309.822 3.991 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](CCN(C)C)c1ccccc1 ZINC001171179917 1031563118 /nfs/dbraw/zinc/56/31/18/1031563118.db2.gz YWVOJKLZUIXBNX-DYESRHJHSA-N 1 1 321.468 3.772 20 30 DHEDMO CN1C[C@@H]2C[N@H+](CC(C)(C)CCC#N)C[C@@H]2[C@@H]1c1ccccc1 ZINC000360790285 1031564438 /nfs/dbraw/zinc/56/44/38/1031564438.db2.gz DJWHGYRADHKFPC-QYZOEREBSA-N 1 1 311.473 3.551 20 30 DHEDMO CN1C[C@@H]2C[N@@H+](CC(C)(C)CCC#N)C[C@@H]2[C@@H]1c1ccccc1 ZINC000360790285 1031564440 /nfs/dbraw/zinc/56/44/40/1031564440.db2.gz DJWHGYRADHKFPC-QYZOEREBSA-N 1 1 311.473 3.551 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000360828762 1031577651 /nfs/dbraw/zinc/57/76/51/1031577651.db2.gz AHSDZUYCNOEMOR-GGPKGHCWSA-N 1 1 309.457 3.542 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360828762 1031577663 /nfs/dbraw/zinc/57/76/63/1031577663.db2.gz AHSDZUYCNOEMOR-GGPKGHCWSA-N 1 1 309.457 3.542 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)CCC1 ZINC000929679700 1031578300 /nfs/dbraw/zinc/57/83/00/1031578300.db2.gz PUDUUSOZPZJQNV-AWEZNQCLSA-N 1 1 318.383 3.894 20 30 DHEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000929709174 1031585475 /nfs/dbraw/zinc/58/54/75/1031585475.db2.gz KXAWQMLXQIHJFK-GKSFYBEXSA-N 1 1 316.420 3.917 20 30 DHEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@@H](c2ccsc2)O1 ZINC000929830727 1031617637 /nfs/dbraw/zinc/61/76/37/1031617637.db2.gz ARJYCMAGBXXPCN-VXTDNTOSSA-N 1 1 304.459 3.840 20 30 DHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929837447 1031621166 /nfs/dbraw/zinc/62/11/66/1031621166.db2.gz WIMRTBBGGGEWTA-OFLPRAFFSA-N 1 1 320.477 3.760 20 30 DHEDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC001144487084 1031639045 /nfs/dbraw/zinc/63/90/45/1031639045.db2.gz BRHWTGSNAWNELG-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCC[C@@H]1C#N ZINC000872680187 1031643333 /nfs/dbraw/zinc/64/33/33/1031643333.db2.gz CWFYOFSXTPAVEY-IUODEOHRSA-N 1 1 302.418 3.519 20 30 DHEDMO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCC[C@@H]1C#N ZINC000872680187 1031643343 /nfs/dbraw/zinc/64/33/43/1031643343.db2.gz CWFYOFSXTPAVEY-IUODEOHRSA-N 1 1 302.418 3.519 20 30 DHEDMO N#CC1(CCCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000930060777 1031687473 /nfs/dbraw/zinc/68/74/73/1031687473.db2.gz LQJIPGVZZRCYHJ-HKUYNNGSSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CCC1 ZINC000930060777 1031687501 /nfs/dbraw/zinc/68/75/01/1031687501.db2.gz LQJIPGVZZRCYHJ-HKUYNNGSSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CCCC[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CCC1 ZINC000930060777 1031687509 /nfs/dbraw/zinc/68/75/09/1031687509.db2.gz LQJIPGVZZRCYHJ-HKUYNNGSSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CCCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000930060777 1031687515 /nfs/dbraw/zinc/68/75/15/1031687515.db2.gz LQJIPGVZZRCYHJ-HKUYNNGSSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CCCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000930060777 1031687520 /nfs/dbraw/zinc/68/75/20/1031687520.db2.gz LQJIPGVZZRCYHJ-HKUYNNGSSA-N 1 1 315.505 3.799 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3OC)C2)cc1 ZINC001144573426 1031721149 /nfs/dbraw/zinc/72/11/49/1031721149.db2.gz JLDKISWSKWFAOK-IBGZPJMESA-N 1 1 321.420 3.720 20 30 DHEDMO C[C@@H](CCO)[N@H+](Cc1ccccc1)CC1CCC(C#N)CC1 ZINC000930177545 1031722742 /nfs/dbraw/zinc/72/27/42/1031722742.db2.gz NVEPEZQRYOBWIK-MUYFXNHWSA-N 1 1 300.446 3.589 20 30 DHEDMO CC(C)(CCC#N)C[NH2+]CC(F)(F)c1ccc(F)cc1F ZINC000873156380 1031729931 /nfs/dbraw/zinc/72/99/31/1031729931.db2.gz UTVXIEHLXMDZRK-UHFFFAOYSA-N 1 1 302.315 3.976 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2nccnc2C)cc1Cl ZINC000873187567 1031748622 /nfs/dbraw/zinc/74/86/22/1031748622.db2.gz WLZUGGBPKIOVEF-CYBMUJFWSA-N 1 1 317.820 3.854 20 30 DHEDMO CCOc1cc(C[N@H+](C)Cc2cc(C#N)cs2)ccc1OC ZINC000897625161 1031748944 /nfs/dbraw/zinc/74/89/44/1031748944.db2.gz FZGZNJJQBQKEMR-UHFFFAOYSA-N 1 1 316.426 3.659 20 30 DHEDMO CCOc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)ccc1OC ZINC000897625161 1031748955 /nfs/dbraw/zinc/74/89/55/1031748955.db2.gz FZGZNJJQBQKEMR-UHFFFAOYSA-N 1 1 316.426 3.659 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000897625685 1031750768 /nfs/dbraw/zinc/75/07/68/1031750768.db2.gz MRXVYUDOZHAPAW-UHFFFAOYSA-N 1 1 310.422 3.654 20 30 DHEDMO CCCCCOc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000897632100 1031755242 /nfs/dbraw/zinc/75/52/42/1031755242.db2.gz GOVDHLWGXKFWKY-UHFFFAOYSA-N 1 1 315.442 3.874 20 30 DHEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000476210482 1031763811 /nfs/dbraw/zinc/76/38/11/1031763811.db2.gz MHCLWGYCAMCAGC-GOSISDBHSA-N 1 1 324.399 3.913 20 30 DHEDMO C[C@H]1C[C@H](CCNc2cc(C#N)ccn2)C[N@H+]1Cc1ccccc1 ZINC000561282488 1031799175 /nfs/dbraw/zinc/79/91/75/1031799175.db2.gz TYRQKFAZAKYZRY-LPHOPBHVSA-N 1 1 320.440 3.666 20 30 DHEDMO Cc1cc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)ccc1Cl ZINC000846008778 1031806892 /nfs/dbraw/zinc/80/68/92/1031806892.db2.gz XSEUMGDKFGDCAB-SFHVURJKSA-N 1 1 314.816 3.686 20 30 DHEDMO C=CC[NH+]1CCC(N[C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000361240610 1031809106 /nfs/dbraw/zinc/80/91/06/1031809106.db2.gz OIYKGSBTRUGIJJ-KRWDZBQOSA-N 1 1 320.864 3.794 20 30 DHEDMO Cc1noc([C@H]2CCCC[N@@H+]2CCCCC2(C#N)CCC2)n1 ZINC000930475887 1031834800 /nfs/dbraw/zinc/83/48/00/1031834800.db2.gz IHTXHNWVMMRQJK-OAHLLOKOSA-N 1 1 302.422 3.769 20 30 DHEDMO Cc1noc([C@H]2CCCC[N@H+]2CCCCC2(C#N)CCC2)n1 ZINC000930475887 1031834806 /nfs/dbraw/zinc/83/48/06/1031834806.db2.gz IHTXHNWVMMRQJK-OAHLLOKOSA-N 1 1 302.422 3.769 20 30 DHEDMO Cc1noc([C@H]2CCCC[N@@H+]2Cc2c(C)cc(C#N)cc2C)n1 ZINC000930476287 1031834988 /nfs/dbraw/zinc/83/49/88/1031834988.db2.gz KXMXSBLCNLUIHC-QGZVFWFLSA-N 1 1 310.401 3.594 20 30 DHEDMO Cc1noc([C@H]2CCCC[N@H+]2Cc2c(C)cc(C#N)cc2C)n1 ZINC000930476287 1031835002 /nfs/dbraw/zinc/83/50/02/1031835002.db2.gz KXMXSBLCNLUIHC-QGZVFWFLSA-N 1 1 310.401 3.594 20 30 DHEDMO C[C@H](C[N@@H+](CC1CCC(C#N)CC1)[C@@H](C)CO)c1ccccc1 ZINC000930486890 1031839611 /nfs/dbraw/zinc/83/96/11/1031839611.db2.gz BESOIZNJDHQCLV-SMVLHYPJSA-N 1 1 314.473 3.803 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000846110110 1031860377 /nfs/dbraw/zinc/86/03/77/1031860377.db2.gz ZBOWBCSZKFIBTC-QGZVFWFLSA-N 1 1 319.399 3.658 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000361404193 1031910152 /nfs/dbraw/zinc/91/01/52/1031910152.db2.gz LHNYIKNIVSOOTC-ROUUACIJSA-N 1 1 300.446 3.904 20 30 DHEDMO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC(C)(C)C1 ZINC000361472309 1031940953 /nfs/dbraw/zinc/94/09/53/1031940953.db2.gz XAVISJYEGNBVNJ-HNNXBMFYSA-N 1 1 310.401 3.619 20 30 DHEDMO COc1ccc(CC[N@@H+](C)[C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171225217 1031982255 /nfs/dbraw/zinc/98/22/55/1031982255.db2.gz YREBRIVGWLICOW-MRXNPFEDSA-N 1 1 308.425 3.672 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)CC/C=C/c1cccnc1 ZINC001171229572 1031995352 /nfs/dbraw/zinc/99/53/52/1031995352.db2.gz PEYSQCQNUHDFDY-OPQSBORISA-N 1 1 305.425 3.920 20 30 DHEDMO CC(=O)c1ccc2c(c1)C[N@@H+]([C@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171230026 1032003526 /nfs/dbraw/zinc/00/35/26/1032003526.db2.gz RPLVZTIYOIWDPA-OAHLLOKOSA-N 1 1 318.420 3.750 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000931062698 1032020597 /nfs/dbraw/zinc/02/05/97/1032020597.db2.gz SOQRTHHSPYEQNA-PBHICJAKSA-N 1 1 315.461 3.753 20 30 DHEDMO C[C@@H](C[N@@H+](C)CCC1(C#N)CCCCC1)NC(=O)OC(C)(C)C ZINC000860101252 1033298415 /nfs/dbraw/zinc/29/84/15/1033298415.db2.gz UZBIVKXPHTWWQW-HNNXBMFYSA-N 1 1 323.481 3.696 20 30 DHEDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC001137120602 1033313277 /nfs/dbraw/zinc/31/32/77/1033313277.db2.gz VXSAJJYFIJZVNM-HNNXBMFYSA-N 1 1 310.397 3.791 20 30 DHEDMO C#CCCCCCC[N@@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000877533902 1033340324 /nfs/dbraw/zinc/34/03/24/1033340324.db2.gz UQFNVVRJGKZVBQ-INIZCTEOSA-N 1 1 314.477 3.896 20 30 DHEDMO C#CCCCCCC[N@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000877533902 1033340331 /nfs/dbraw/zinc/34/03/31/1033340331.db2.gz UQFNVVRJGKZVBQ-INIZCTEOSA-N 1 1 314.477 3.896 20 30 DHEDMO CC(C)[C@@H]1[N@H+](Cc2cc(C#N)cnc2Cl)CC12CC=CC2 ZINC000877607560 1033379683 /nfs/dbraw/zinc/37/96/83/1033379683.db2.gz IBEIKIBTFTWOAM-HNNXBMFYSA-N 1 1 301.821 3.783 20 30 DHEDMO CC(C)[C@@H]1[N@@H+](Cc2cc(C#N)cnc2Cl)CC12CC=CC2 ZINC000877607560 1033379692 /nfs/dbraw/zinc/37/96/92/1033379692.db2.gz IBEIKIBTFTWOAM-HNNXBMFYSA-N 1 1 301.821 3.783 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]([C@H](C)C1CC1)C1CC1)c1ccccc1 ZINC000877966874 1033533496 /nfs/dbraw/zinc/53/34/96/1033533496.db2.gz YHJJMUGLPAKIMA-FOIQADDNSA-N 1 1 310.441 3.690 20 30 DHEDMO CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)[C@H](C)C(C)C ZINC000878001268 1033548203 /nfs/dbraw/zinc/54/82/03/1033548203.db2.gz VKKLNMGYZPBIGD-APWZRJJASA-N 1 1 300.446 3.793 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1C[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000878128299 1033589752 /nfs/dbraw/zinc/58/97/52/1033589752.db2.gz BAXJSQCGPRQJKT-FUHIMQAGSA-N 1 1 312.457 3.938 20 30 DHEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC001252558774 1033601438 /nfs/dbraw/zinc/60/14/38/1033601438.db2.gz IVWVUAOBQVBUSU-LSDHHAIUSA-N 1 1 310.235 3.523 20 30 DHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1CC[C@H](CC)C1)C2 ZINC001173274355 1033645499 /nfs/dbraw/zinc/64/54/99/1033645499.db2.gz DOWZZEBNIZNOJL-WJFTUGDTSA-N 1 1 307.478 3.639 20 30 DHEDMO C=CC[NH+]1CCC(N[C@H](c2cc(F)ccc2F)C(C)C)CC1 ZINC000479069957 1033646273 /nfs/dbraw/zinc/64/62/73/1033646273.db2.gz QZCLSGCBKONIGN-SFHVURJKSA-N 1 1 308.416 3.902 20 30 DHEDMO C=C(C)C[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]2CCCC[C@H]21 ZINC000479113893 1033656772 /nfs/dbraw/zinc/65/67/72/1033656772.db2.gz FDMJGFUKRQNOME-DFBDCSAJSA-N 1 1 306.494 3.746 20 30 DHEDMO CCSC[C@H](C)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001173308751 1033662071 /nfs/dbraw/zinc/66/20/71/1033662071.db2.gz ORSQJBPAQMYAKT-WMLDXEAASA-N 1 1 304.459 3.543 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CC[C@H](CC)C1)[C@H]2CC ZINC001173284356 1033676223 /nfs/dbraw/zinc/67/62/23/1033676223.db2.gz ZEKUXQKGOQYUEI-JPLJXNOCSA-N 1 1 318.505 3.987 20 30 DHEDMO CC1(C#N)CC[NH+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000878389552 1033686846 /nfs/dbraw/zinc/68/68/46/1033686846.db2.gz LZSSLJJNAGMLQM-AWEZNQCLSA-N 1 1 313.228 3.652 20 30 DHEDMO COC(=O)[C@H](CC1CCCCC1)[NH2+]C1CCC(CC#N)CC1 ZINC001173330106 1033688832 /nfs/dbraw/zinc/68/88/32/1033688832.db2.gz TYJPLBURERMMLX-PREGVCBESA-N 1 1 306.450 3.560 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000878399397 1033689261 /nfs/dbraw/zinc/68/92/61/1033689261.db2.gz LQFSFDUWUCEVOA-VRXWPRPYSA-N 1 1 324.468 3.938 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@@H](C)CC(C)(C)C1)c1ccccc1 ZINC000878403628 1033691381 /nfs/dbraw/zinc/69/13/81/1033691381.db2.gz DERXJIUFHIDBHJ-OXJNMPFZSA-N 1 1 312.457 3.795 20 30 DHEDMO C[C@H]1CN(Cc2ccccc2)CC[N@H+]1C1CCC(CC#N)CC1 ZINC001173339458 1033694331 /nfs/dbraw/zinc/69/43/31/1033694331.db2.gz PFNPUAWLLASIOJ-ZJRDLVKKSA-N 1 1 311.473 3.665 20 30 DHEDMO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173337525 1033695153 /nfs/dbraw/zinc/69/51/53/1033695153.db2.gz NERHQOIZUFMIQK-WZOJCFFYSA-N 1 1 303.494 3.798 20 30 DHEDMO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1CCC(CC#N)CC1 ZINC001173337525 1033695161 /nfs/dbraw/zinc/69/51/61/1033695161.db2.gz NERHQOIZUFMIQK-WZOJCFFYSA-N 1 1 303.494 3.798 20 30 DHEDMO N#CCC1CCC([N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001173338087 1033695421 /nfs/dbraw/zinc/69/54/21/1033695421.db2.gz WVEPMQJHKGGQJT-OUNSHVDWSA-N 1 1 323.440 3.874 20 30 DHEDMO C[N@H+](Cc1cccc2ccccc21)C[C@@H](O)c1ccc(C#N)cc1 ZINC000127124921 1033719475 /nfs/dbraw/zinc/71/94/75/1033719475.db2.gz GBLFVISUULWWEV-OAQYLSRUSA-N 1 1 316.404 3.877 20 30 DHEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000878488969 1033722530 /nfs/dbraw/zinc/72/25/30/1033722530.db2.gz LBJAXDLHYAYKDM-SFHVURJKSA-N 1 1 314.473 3.617 20 30 DHEDMO C=CC[C@H]1[N@H+](C[C@H]2CC3(CO2)CCOCC3)CCCC1(C)C ZINC000878516850 1033735634 /nfs/dbraw/zinc/73/56/34/1033735634.db2.gz WSZREMDHNMJIGW-IAGOWNOFSA-N 1 1 307.478 3.639 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000829768482 1033747613 /nfs/dbraw/zinc/74/76/13/1033747613.db2.gz DRYQVSKOOMQFRJ-CYBMUJFWSA-N 1 1 315.804 3.625 20 30 DHEDMO C=CCCCC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000479534042 1033797067 /nfs/dbraw/zinc/79/70/67/1033797067.db2.gz CGYWFDASXPYMBT-QGZVFWFLSA-N 1 1 314.473 3.891 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)c(OCC)c(OC)c2)C1 ZINC000862443200 1033854915 /nfs/dbraw/zinc/85/49/15/1033854915.db2.gz LQHDHKRIHVDMRG-ZDUSSCGKSA-N 1 1 307.821 3.593 20 30 DHEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000862442643 1033855766 /nfs/dbraw/zinc/85/57/66/1033855766.db2.gz FAHQRMOHLRWGKT-QGZVFWFLSA-N 1 1 306.409 3.506 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878886696 1033856071 /nfs/dbraw/zinc/85/60/71/1033856071.db2.gz NTMQEKLWIDPRHO-NHYWBVRUSA-N 1 1 313.228 3.652 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878886696 1033856080 /nfs/dbraw/zinc/85/60/80/1033856080.db2.gz NTMQEKLWIDPRHO-NHYWBVRUSA-N 1 1 313.228 3.652 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](CCc2ccccc2Br)C1 ZINC000878887565 1033856456 /nfs/dbraw/zinc/85/64/56/1033856456.db2.gz WBOFMLAWBSVILX-ZDUSSCGKSA-N 1 1 307.235 3.617 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)c(OC)c(OCC)c2)C1 ZINC000862443847 1033857221 /nfs/dbraw/zinc/85/72/21/1033857221.db2.gz VRGYULKPBAXOGB-CYBMUJFWSA-N 1 1 307.821 3.593 20 30 DHEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878954669 1033878288 /nfs/dbraw/zinc/87/82/88/1033878288.db2.gz ZORGQYWWGHOEDA-POAQFYNOSA-N 1 1 312.457 3.938 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878991853 1033885733 /nfs/dbraw/zinc/88/57/33/1033885733.db2.gz PFQDJVCXMJGKJF-HSALFYBXSA-N 1 1 308.425 3.610 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H](C2CCC2)C1)c1ccccc1 ZINC000878994556 1033890474 /nfs/dbraw/zinc/89/04/74/1033890474.db2.gz UESPPIBOIRFEOZ-TZIWHRDSSA-N 1 1 324.468 3.939 20 30 DHEDMO CC(=O)Nc1cccc2c1C[N@H+]([C@@H](C)c1cccc(C#N)c1)CC2 ZINC000879237050 1033957773 /nfs/dbraw/zinc/95/77/73/1033957773.db2.gz DKISMTNXTAWZPU-AWEZNQCLSA-N 1 1 319.408 3.636 20 30 DHEDMO CC(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)c1cccc(C#N)c1)CC2 ZINC000879237050 1033957781 /nfs/dbraw/zinc/95/77/81/1033957781.db2.gz DKISMTNXTAWZPU-AWEZNQCLSA-N 1 1 319.408 3.636 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879245177 1033960912 /nfs/dbraw/zinc/96/09/12/1033960912.db2.gz IWVGFGGPTPUCFL-VQTJNVASSA-N 1 1 306.409 3.565 20 30 DHEDMO C=CCCC[C@@H](C(=O)NCC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000879388706 1034002109 /nfs/dbraw/zinc/00/21/09/1034002109.db2.gz GCCKQBVXIFDYHQ-LJQANCHMSA-N 1 1 312.457 3.505 20 30 DHEDMO C=CCCCCC[N@@H+](C)[C@H](C)c1ncc(Br)cn1 ZINC000554238009 1034034898 /nfs/dbraw/zinc/03/48/98/1034034898.db2.gz AHNPDRFMFBEBGD-GFCCVEGCSA-N 1 1 312.255 3.978 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)c1ncc(Br)cn1 ZINC000554238009 1034034923 /nfs/dbraw/zinc/03/49/23/1034034923.db2.gz AHNPDRFMFBEBGD-GFCCVEGCSA-N 1 1 312.255 3.978 20 30 DHEDMO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCC(C)(C)C#N)no1 ZINC000879681676 1034086037 /nfs/dbraw/zinc/08/60/37/1034086037.db2.gz FUMKSGJTZGWEGD-MQVJKMGUSA-N 1 1 316.449 3.809 20 30 DHEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(CC#N)cc3)C2)[nH]n1 ZINC000879918894 1034159693 /nfs/dbraw/zinc/15/96/93/1034159693.db2.gz JXALDXGSBOXBFG-GOSISDBHSA-N 1 1 322.456 3.979 20 30 DHEDMO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3ccc(CC#N)cc3)C2)n[nH]1 ZINC000879918894 1034159700 /nfs/dbraw/zinc/15/97/00/1034159700.db2.gz JXALDXGSBOXBFG-GOSISDBHSA-N 1 1 322.456 3.979 20 30 DHEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(CC#N)cc3)C2)n[nH]1 ZINC000879918894 1034159704 /nfs/dbraw/zinc/15/97/04/1034159704.db2.gz JXALDXGSBOXBFG-GOSISDBHSA-N 1 1 322.456 3.979 20 30 DHEDMO Cc1csc([C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)n1 ZINC000880010378 1034184633 /nfs/dbraw/zinc/18/46/33/1034184633.db2.gz YQUOQNKSPLLDKE-HNNXBMFYSA-N 1 1 316.857 3.946 20 30 DHEDMO C[C@@H](C#N)OCC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000794565885 1034200190 /nfs/dbraw/zinc/20/01/90/1034200190.db2.gz DOWSLFAWCSARHD-YJBOKZPZSA-N 1 1 324.428 3.532 20 30 DHEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000794565885 1034200200 /nfs/dbraw/zinc/20/02/00/1034200200.db2.gz DOWSLFAWCSARHD-YJBOKZPZSA-N 1 1 324.428 3.532 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880277807 1034272931 /nfs/dbraw/zinc/27/29/31/1034272931.db2.gz PTZMFFOQVSVFRG-DOTOQJQBSA-N 1 1 308.429 3.948 20 30 DHEDMO COC(=O)c1ccc2c(c1)CC[N@H+](CCCCC(C)(C)C#N)C2 ZINC000880351454 1034303458 /nfs/dbraw/zinc/30/34/58/1034303458.db2.gz UOOKHHWCYTVTIG-UHFFFAOYSA-N 1 1 314.429 3.551 20 30 DHEDMO CC[N@@H+](Cc1cnn2ccccc12)[C@@H](C)c1ccc(C#N)cc1 ZINC000179464061 1034311605 /nfs/dbraw/zinc/31/16/05/1034311605.db2.gz MBMQXBLVGWHBQR-HNNXBMFYSA-N 1 1 304.397 3.789 20 30 DHEDMO C[C@@H]1c2sccc2CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000880375992 1034312612 /nfs/dbraw/zinc/31/26/12/1034312612.db2.gz BUWMTPMCMFMNDP-CQSZACIVSA-N 1 1 304.459 3.768 20 30 DHEDMO COc1ccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC001174397060 1034325754 /nfs/dbraw/zinc/32/57/54/1034325754.db2.gz LWVWGOMVQANNCY-UHFFFAOYSA-N 1 1 319.408 3.769 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C[C@H](CCC)CC1=O ZINC000794650392 1034326143 /nfs/dbraw/zinc/32/61/43/1034326143.db2.gz KWFYHLNUNWBZLT-GOSISDBHSA-N 1 1 300.446 3.671 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C[C@H](CCC)CC1=O ZINC000794650392 1034326152 /nfs/dbraw/zinc/32/61/52/1034326152.db2.gz KWFYHLNUNWBZLT-GOSISDBHSA-N 1 1 300.446 3.671 20 30 DHEDMO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCCC(C)(C)C#N)cn1 ZINC000880518089 1034349694 /nfs/dbraw/zinc/34/96/94/1034349694.db2.gz AWMOUODPQSKIDF-ZNXRZULTSA-N 1 1 314.477 3.851 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)c(F)c1 ZINC000880573617 1034364670 /nfs/dbraw/zinc/36/46/70/1034364670.db2.gz BQRPBKGGFPPTGO-KRWDZBQOSA-N 1 1 316.420 3.726 20 30 DHEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000480654738 1034374452 /nfs/dbraw/zinc/37/44/52/1034374452.db2.gz RJFBQBMWCOSKCN-HNNXBMFYSA-N 1 1 307.235 3.941 20 30 DHEDMO C[C@@H](C[N@@H+](C)CCCOc1cccc(C#N)c1)c1nccs1 ZINC000183936404 1034431789 /nfs/dbraw/zinc/43/17/89/1034431789.db2.gz ZDEZIZNOGHOZKO-AWEZNQCLSA-N 1 1 315.442 3.519 20 30 DHEDMO C[C@@H](C[N@@H+](C)Cc1cn2ccccc2c1C#N)c1nccs1 ZINC000184013883 1034438468 /nfs/dbraw/zinc/43/84/68/1034438468.db2.gz OHSRDJCVSJDPPU-ZDUSSCGKSA-N 1 1 310.426 3.503 20 30 DHEDMO CCCCCCCC[N@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000794742493 1034439108 /nfs/dbraw/zinc/43/91/08/1034439108.db2.gz AYOSLCCSJGOLSY-INIZCTEOSA-N 1 1 303.512 3.636 20 30 DHEDMO CCS[C@H]1CCCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000480996894 1034548764 /nfs/dbraw/zinc/54/87/64/1034548764.db2.gz GMSJLIPQMOKFBX-INIZCTEOSA-N 1 1 304.459 3.545 20 30 DHEDMO CC1(C)CCC(C)(C)[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001174724298 1034582528 /nfs/dbraw/zinc/58/25/28/1034582528.db2.gz IIICBLVNZNMYSH-UHFFFAOYSA-N 1 1 301.390 3.867 20 30 DHEDMO CC1(C)CCC(C)(C)[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001174724298 1034582537 /nfs/dbraw/zinc/58/25/37/1034582537.db2.gz IIICBLVNZNMYSH-UHFFFAOYSA-N 1 1 301.390 3.867 20 30 DHEDMO C[C@@H]1CC(=NOCCC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000777459710 1034753028 /nfs/dbraw/zinc/75/30/28/1034753028.db2.gz KVXRYSUUBXJUPC-GFCCVEGCSA-N 1 1 300.324 3.606 20 30 DHEDMO COc1cc(C[NH2+]CC2(C#N)CCCC2)cc(C(F)(F)F)c1 ZINC000600172944 1034778590 /nfs/dbraw/zinc/77/85/90/1034778590.db2.gz JVNIGLOTWWDNFE-UHFFFAOYSA-N 1 1 312.335 3.888 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000600186562 1034796404 /nfs/dbraw/zinc/79/64/04/1034796404.db2.gz QWJMHBUHOXEWIQ-QGZVFWFLSA-N 1 1 320.440 3.862 20 30 DHEDMO CCCn1nc(C)c(C[N@H+]2CCc3c(CC#N)cccc3C2)c1C ZINC000600213764 1034806550 /nfs/dbraw/zinc/80/65/50/1034806550.db2.gz ZAJNCDZQKVSDBE-UHFFFAOYSA-N 1 1 322.456 3.534 20 30 DHEDMO COc1ccccc1/C=C/C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600214985 1034816589 /nfs/dbraw/zinc/81/65/89/1034816589.db2.gz XDYZZRMIDPMKNU-WEVVVXLNSA-N 1 1 318.420 3.833 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001175578038 1035051098 /nfs/dbraw/zinc/05/10/98/1035051098.db2.gz LZNJQMVXOWZIMG-JKSUJKDBSA-N 1 1 308.466 3.674 20 30 DHEDMO C=CC[N@@H+](CCOC)Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000668054921 1035111725 /nfs/dbraw/zinc/11/17/25/1035111725.db2.gz LDSNOLOPSLKJMO-UHFFFAOYSA-N 1 1 316.376 3.647 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000668054921 1035111733 /nfs/dbraw/zinc/11/17/33/1035111733.db2.gz LDSNOLOPSLKJMO-UHFFFAOYSA-N 1 1 316.376 3.647 20 30 DHEDMO Cn1ccc2c1cccc2Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001175863378 1035145404 /nfs/dbraw/zinc/14/54/04/1035145404.db2.gz RYDAUMHYRCBLMW-UHFFFAOYSA-N 1 1 322.437 3.843 20 30 DHEDMO Cc1cc(C)c(Nc2cccc(C[NH+]3CCOCC3)c2)cc1C#N ZINC001175863028 1035146229 /nfs/dbraw/zinc/14/62/29/1035146229.db2.gz HOQOLIOFGUYPBU-UHFFFAOYSA-N 1 1 321.424 3.751 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000160380368 1035180503 /nfs/dbraw/zinc/18/05/03/1035180503.db2.gz PTSVLWHAMGQYSK-FQEVSTJZSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000160380368 1035180505 /nfs/dbraw/zinc/18/05/05/1035180505.db2.gz PTSVLWHAMGQYSK-FQEVSTJZSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC001176089619 1035194121 /nfs/dbraw/zinc/19/41/21/1035194121.db2.gz ZYDGPDHNVVMEEA-CTNGQTDRSA-N 1 1 318.420 3.601 20 30 DHEDMO Cn1cc(C[N@@H+](Cc2cccc(F)c2)C2CCCC2)cc1C#N ZINC000483157197 1035234838 /nfs/dbraw/zinc/23/48/38/1035234838.db2.gz MESLSIHWSSGNQU-UHFFFAOYSA-N 1 1 311.404 3.981 20 30 DHEDMO CC[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CC[C@H]1c1ccccc1 ZINC000483275214 1035250937 /nfs/dbraw/zinc/25/09/37/1035250937.db2.gz YENOMLUOKPTEGU-FXAWDEMLSA-N 1 1 307.441 3.912 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@H]2CCCc2ccccc2)cc1C#N ZINC000483281290 1035252017 /nfs/dbraw/zinc/25/20/17/1035252017.db2.gz BOTYNZHZJJFGML-LJQANCHMSA-N 1 1 307.441 3.884 20 30 DHEDMO N#CC1(CC[N@H+]2CCC[C@@H](C3CCOCC3)C2)CCCCC1 ZINC001176412641 1035267686 /nfs/dbraw/zinc/26/76/86/1035267686.db2.gz QJCZAZHVERSTBE-GOSISDBHSA-N 1 1 304.478 3.989 20 30 DHEDMO C[N@H+](CC#Cc1ccccc1)Cc1ccc(Br)s1 ZINC000483538945 1035278617 /nfs/dbraw/zinc/27/86/17/1035278617.db2.gz AOXFJDMRQSDACV-UHFFFAOYSA-N 1 1 320.255 3.994 20 30 DHEDMO C[N@@H+](CC#Cc1ccccc1)Cc1ccc(Br)s1 ZINC000483538945 1035278619 /nfs/dbraw/zinc/27/86/19/1035278619.db2.gz AOXFJDMRQSDACV-UHFFFAOYSA-N 1 1 320.255 3.994 20 30 DHEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000483610590 1035283388 /nfs/dbraw/zinc/28/33/88/1035283388.db2.gz CLDBTJQROSLLPO-HNNXBMFYSA-N 1 1 313.828 3.960 20 30 DHEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483678713 1035289354 /nfs/dbraw/zinc/28/93/54/1035289354.db2.gz CRZQHVRBJGGHCB-ZWNOBZJWSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483678713 1035289357 /nfs/dbraw/zinc/28/93/57/1035289357.db2.gz CRZQHVRBJGGHCB-ZWNOBZJWSA-N 1 1 300.299 3.860 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000483699519 1035291401 /nfs/dbraw/zinc/29/14/01/1035291401.db2.gz MMIMLBLOHWKGSO-NRFANRHFSA-N 1 1 303.405 3.560 20 30 DHEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(F)c2cccnc12 ZINC001176554259 1035294492 /nfs/dbraw/zinc/29/44/92/1035294492.db2.gz BYMMUVQEQLGAPN-UHFFFAOYSA-N 1 1 311.385 3.939 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC001176650114 1035314785 /nfs/dbraw/zinc/31/47/85/1035314785.db2.gz PDWGQPPACBAJFH-GOSISDBHSA-N 1 1 300.471 3.893 20 30 DHEDMO Cc1cc(C)c(C[N@H+]2CCc3c(C#N)c(N)sc3C2)c(C)c1 ZINC001176771655 1035330157 /nfs/dbraw/zinc/33/01/57/1035330157.db2.gz QGKKCWCRBJYFGR-UHFFFAOYSA-N 1 1 311.454 3.686 20 30 DHEDMO C#CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CCCC1 ZINC000811466312 1035330358 /nfs/dbraw/zinc/33/03/58/1035330358.db2.gz UYSXQPDFSNSUSV-UHFFFAOYSA-N 1 1 306.331 3.955 20 30 DHEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@H](O)COc1cc(C)ccc1Cl ZINC001176771941 1035330626 /nfs/dbraw/zinc/33/06/26/1035330626.db2.gz YRNAEMYYFJJAKA-HOTGVXAUSA-N 1 1 323.864 3.819 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001176927315 1035336566 /nfs/dbraw/zinc/33/65/66/1035336566.db2.gz QTWFWACLTUCANY-IRXDYDNUSA-N 1 1 304.821 3.745 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001176927315 1035336569 /nfs/dbraw/zinc/33/65/69/1035336569.db2.gz QTWFWACLTUCANY-IRXDYDNUSA-N 1 1 304.821 3.745 20 30 DHEDMO CC[N@@H+](CCC(C)(C)C#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001177038960 1035345804 /nfs/dbraw/zinc/34/58/04/1035345804.db2.gz NMCMEQLIYZDLJW-HNNXBMFYSA-N 1 1 323.481 3.648 20 30 DHEDMO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000484613766 1035374059 /nfs/dbraw/zinc/37/40/59/1035374059.db2.gz BRZGDQJMHUTXBO-IBGZPJMESA-N 1 1 319.408 3.642 20 30 DHEDMO C=C(C)CN1CCC([NH2+]Cc2cc(Cl)ccc2OCC)CC1 ZINC001177683493 1035386920 /nfs/dbraw/zinc/38/69/20/1035386920.db2.gz FZPDAUWDVFMCIK-UHFFFAOYSA-N 1 1 322.880 3.869 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(CSC)c2)no1 ZINC000904596676 1035433881 /nfs/dbraw/zinc/43/38/81/1035433881.db2.gz LEFJVRUVKKCOAV-CQSZACIVSA-N 1 1 303.431 3.956 20 30 DHEDMO CCCCCCCC[C@H]([NH3+])c1nc(CC2CCOCC2)no1 ZINC000904598064 1035434063 /nfs/dbraw/zinc/43/40/63/1035434063.db2.gz MROBNPJBMAORNG-HNNXBMFYSA-N 1 1 309.454 3.789 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H](C)c2c(F)cccc2F)no1 ZINC000904614238 1035436016 /nfs/dbraw/zinc/43/60/16/1035436016.db2.gz OSHXZKGDJHWCOX-GWCFXTLKSA-N 1 1 307.344 3.856 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccnc(O[C@@H](C)CC)c2)no1 ZINC000904629241 1035438069 /nfs/dbraw/zinc/43/80/69/1035438069.db2.gz VFUBJRSVIKKNHQ-JSGCOSHPSA-N 1 1 316.405 3.665 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc([C@H](OC)c2ccccc2Cl)no1 ZINC000904639091 1035438905 /nfs/dbraw/zinc/43/89/05/1035438905.db2.gz HCGRISLCRSBTPB-UONOGXRCSA-N 1 1 321.808 3.815 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H]2CSc3ccccc32)no1 ZINC000904728996 1035449199 /nfs/dbraw/zinc/44/91/99/1035449199.db2.gz UXSNCSLBZUBMJG-CHWSQXEVSA-N 1 1 301.415 3.663 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1C[C@@]1(C)Br ZINC001180030512 1035569083 /nfs/dbraw/zinc/56/90/83/1035569083.db2.gz NUIVVSCQVSGZHE-UONOGXRCSA-N 1 1 301.272 3.812 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C#N)Cc1ccc(F)c(Cl)c1 ZINC001193392972 1035627140 /nfs/dbraw/zinc/62/71/40/1035627140.db2.gz QPBVOCMTQBERCN-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCS[C@@H](CC)C1 ZINC001180198906 1035627543 /nfs/dbraw/zinc/62/75/43/1035627543.db2.gz LPJRKMLVYMGKEQ-ZDUSSCGKSA-N 1 1 309.862 3.679 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCS[C@@H](CC)C1 ZINC001180198906 1035627553 /nfs/dbraw/zinc/62/75/53/1035627553.db2.gz LPJRKMLVYMGKEQ-ZDUSSCGKSA-N 1 1 309.862 3.679 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1c(Cl)n[nH]c1CC ZINC001180280252 1035643366 /nfs/dbraw/zinc/64/33/66/1035643366.db2.gz ICNONTCATQSXCI-UHFFFAOYSA-N 1 1 303.837 3.856 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1c(Cl)n[nH]c1CC ZINC001180280252 1035643374 /nfs/dbraw/zinc/64/33/74/1035643374.db2.gz ICNONTCATQSXCI-UHFFFAOYSA-N 1 1 303.837 3.856 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000190949541 1035647168 /nfs/dbraw/zinc/64/71/68/1035647168.db2.gz FWRSBJOLUUJZEN-IBGZPJMESA-N 1 1 306.494 3.703 20 30 DHEDMO C=CC[N@H+](Cc1cnc2nc(C)cc(C)n12)CC1CCCCC1 ZINC001180293143 1035647836 /nfs/dbraw/zinc/64/78/36/1035647836.db2.gz VVLQHXYRIUJAOY-UHFFFAOYSA-N 1 1 312.461 3.914 20 30 DHEDMO C#CC[N@@H+](Cc1cnc2onc(C)c2c1)[C@H]1CCc2ccccc21 ZINC001180297240 1035650703 /nfs/dbraw/zinc/65/07/03/1035650703.db2.gz UHKXWTJUVFJIHL-IBGZPJMESA-N 1 1 317.392 3.654 20 30 DHEDMO C#CC[N@H+](Cc1cnc2onc(C)c2c1)[C@H]1CCc2ccccc21 ZINC001180297240 1035650712 /nfs/dbraw/zinc/65/07/12/1035650712.db2.gz UHKXWTJUVFJIHL-IBGZPJMESA-N 1 1 317.392 3.654 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CC3(CCC3)[C@@H]2c2ccccc2)CCC1 ZINC000905956540 1035714796 /nfs/dbraw/zinc/71/47/96/1035714796.db2.gz KSEXCNLQFAVMKU-MSOLQXFVSA-N 1 1 310.441 3.658 20 30 DHEDMO C#CC[N@@H+](C)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000192223996 1035780468 /nfs/dbraw/zinc/78/04/68/1035780468.db2.gz CSJGXILZPWNGBU-UHFFFAOYSA-N 1 1 306.365 3.568 20 30 DHEDMO C#CC[N@H+](C)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000192223996 1035780491 /nfs/dbraw/zinc/78/04/91/1035780491.db2.gz CSJGXILZPWNGBU-UHFFFAOYSA-N 1 1 306.365 3.568 20 30 DHEDMO COCC[N@@H+](Cc1c(C)cc(C#N)cc1C)[C@H]1CC[C@@H](C)C1 ZINC001193977807 1035784076 /nfs/dbraw/zinc/78/40/76/1035784076.db2.gz WTVBYZYQCCUCLC-KDOFPFPSSA-N 1 1 300.446 3.812 20 30 DHEDMO CC(C)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCCCC1 ZINC000491268654 1035790630 /nfs/dbraw/zinc/79/06/30/1035790630.db2.gz RLOUHXRWTMXXGX-UHFFFAOYSA-N 1 1 313.445 3.930 20 30 DHEDMO C[C@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000539608799 1035793644 /nfs/dbraw/zinc/79/36/44/1035793644.db2.gz GOVLOXWUQUVQHS-ZNMIVQPWSA-N 1 1 303.425 3.611 20 30 DHEDMO C[C@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000539608799 1035793657 /nfs/dbraw/zinc/79/36/57/1035793657.db2.gz GOVLOXWUQUVQHS-ZNMIVQPWSA-N 1 1 303.425 3.611 20 30 DHEDMO Cc1cccc2c1CC(C)(C)[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC001194551965 1035958479 /nfs/dbraw/zinc/95/84/79/1035958479.db2.gz OGOADJXIUMPHQT-FQEVSTJZSA-N 1 1 320.436 3.737 20 30 DHEDMO C=CC[N@@H+](Cc1nc2ccccc2c(C)c1C(=O)OCC)C1CC1 ZINC000540054479 1035960578 /nfs/dbraw/zinc/96/05/78/1035960578.db2.gz SEMOAJXVBGUPMR-UHFFFAOYSA-N 1 1 324.424 3.870 20 30 DHEDMO C=CC[N@H+](Cc1nc2ccccc2c(C)c1C(=O)OCC)C1CC1 ZINC000540054479 1035960590 /nfs/dbraw/zinc/96/05/90/1035960590.db2.gz SEMOAJXVBGUPMR-UHFFFAOYSA-N 1 1 324.424 3.870 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)C23CCCC3)cc1 ZINC001204305913 1035985865 /nfs/dbraw/zinc/98/58/65/1035985865.db2.gz NPWQMETZBXFRKP-MRXNPFEDSA-N 1 1 313.441 3.975 20 30 DHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc(F)cc2C#N)C1 ZINC000540296671 1036032460 /nfs/dbraw/zinc/03/24/60/1036032460.db2.gz ANOQQLCNMKVFRI-RDTXWAMCSA-N 1 1 309.388 3.945 20 30 DHEDMO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1sc2ccccc2c1C#N ZINC001181995887 1036067563 /nfs/dbraw/zinc/06/75/63/1036067563.db2.gz YHOOHDNVSGUMSA-AWEZNQCLSA-N 1 1 313.426 3.586 20 30 DHEDMO CC[N@H+]1CCCC[C@H]1C(=O)Nc1sc2ccccc2c1C#N ZINC001181995887 1036067572 /nfs/dbraw/zinc/06/75/72/1036067572.db2.gz YHOOHDNVSGUMSA-AWEZNQCLSA-N 1 1 313.426 3.586 20 30 DHEDMO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)N1CCC(C)CC1 ZINC000540597868 1036110705 /nfs/dbraw/zinc/11/07/05/1036110705.db2.gz XWIYAYSDIFAAOC-XLIONFOSSA-N 1 1 313.489 3.965 20 30 DHEDMO C#CCCCCCCCCC(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001182185552 1036118230 /nfs/dbraw/zinc/11/82/30/1036118230.db2.gz HWHPOZSHXLLKGY-UHFFFAOYSA-N 1 1 324.428 3.960 20 30 DHEDMO COc1ccc(C[N@@H+](C)CCc2ccc(Cl)cc2)cc1C#N ZINC000540916099 1036193446 /nfs/dbraw/zinc/19/34/46/1036193446.db2.gz SJVOZCODVMKNPX-UHFFFAOYSA-N 1 1 314.816 3.895 20 30 DHEDMO C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(O)c(F)c1F ZINC001182326731 1036226177 /nfs/dbraw/zinc/22/61/77/1036226177.db2.gz MIHMQVCMQRLBSQ-HNNXBMFYSA-N 1 1 303.352 3.947 20 30 DHEDMO C=CCOCC[N@H+](CC)CCc1ccc(C(F)(F)F)cc1 ZINC001195366589 1036231238 /nfs/dbraw/zinc/23/12/38/1036231238.db2.gz BDPQMZZYPIQWMH-UHFFFAOYSA-N 1 1 301.352 3.772 20 30 DHEDMO Cc1cc(Br)cc(C[N@@H+](CCC#N)C(C)C)c1O ZINC000775655334 1036235275 /nfs/dbraw/zinc/23/52/75/1036235275.db2.gz XWSNGQVYVWFIHY-UHFFFAOYSA-N 1 1 311.223 3.587 20 30 DHEDMO Cc1cc(Br)cc(C[N@H+](CCC#N)C(C)C)c1O ZINC000775655334 1036235291 /nfs/dbraw/zinc/23/52/91/1036235291.db2.gz XWSNGQVYVWFIHY-UHFFFAOYSA-N 1 1 311.223 3.587 20 30 DHEDMO C=CC[C@H](CC)NC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000541239513 1036269062 /nfs/dbraw/zinc/26/90/62/1036269062.db2.gz JJWRHXXJHPLSJY-AEFFLSMTSA-N 1 1 317.477 3.551 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC001195515648 1036276701 /nfs/dbraw/zinc/27/67/01/1036276701.db2.gz GEHSTNGBCCIMKQ-IBGZPJMESA-N 1 1 311.812 3.845 20 30 DHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001195526987 1036281095 /nfs/dbraw/zinc/28/10/95/1036281095.db2.gz NLCGSGYLFKLOEO-NVXWUHKLSA-N 1 1 318.436 3.509 20 30 DHEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784512915 1036292836 /nfs/dbraw/zinc/29/28/36/1036292836.db2.gz WAEDSQNPMUCEDT-HRCADAONSA-N 1 1 308.466 3.578 20 30 DHEDMO C[C@@H](CC#N)NC[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001195658829 1036311663 /nfs/dbraw/zinc/31/16/63/1036311663.db2.gz DYRRSAXISMKJEC-GHTZIAJQSA-N 1 1 321.468 3.794 20 30 DHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000495186145 1036325230 /nfs/dbraw/zinc/32/52/30/1036325230.db2.gz CYROFKPXVNSUIZ-HUUCEWRRSA-N 1 1 323.481 3.551 20 30 DHEDMO C#CC[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)c1ccccc1 ZINC000774464529 1036345182 /nfs/dbraw/zinc/34/51/82/1036345182.db2.gz XOVCRFGCGWGWGF-DOTOQJQBSA-N 1 1 303.409 3.989 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2c(Cl)n(C)nc2C(F)(F)F)C1 ZINC001195947120 1036401523 /nfs/dbraw/zinc/40/15/23/1036401523.db2.gz QOLHEOJTJGQQMP-SNVBAGLBSA-N 1 1 321.774 3.880 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(Cl)n(C)nc2C(F)(F)F)C1 ZINC001195947120 1036401532 /nfs/dbraw/zinc/40/15/32/1036401532.db2.gz QOLHEOJTJGQQMP-SNVBAGLBSA-N 1 1 321.774 3.880 20 30 DHEDMO CCC[C@@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000541701337 1036410011 /nfs/dbraw/zinc/41/00/11/1036410011.db2.gz QDOOANXKGWCIEN-MRXNPFEDSA-N 1 1 302.418 3.600 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153389745 1036418336 /nfs/dbraw/zinc/41/83/36/1036418336.db2.gz OGDRBKYGCWYYKC-CYBMUJFWSA-N 1 1 307.353 3.586 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153389745 1036418340 /nfs/dbraw/zinc/41/83/40/1036418340.db2.gz OGDRBKYGCWYYKC-CYBMUJFWSA-N 1 1 307.353 3.586 20 30 DHEDMO C=CC[N@@H+](C[C@@H]1CCC[C@H](c2ccccc2)O1)[C@H](C)COC ZINC001196048499 1036431165 /nfs/dbraw/zinc/43/11/65/1036431165.db2.gz WOTIQNKILWTQJC-NZSAHSFTSA-N 1 1 303.446 3.820 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc(-c2ccc(C)cc2)no1 ZINC000541844150 1036439206 /nfs/dbraw/zinc/43/92/06/1036439206.db2.gz DGMCRZOHLGKJBW-UHFFFAOYSA-N 1 1 323.396 3.869 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1nc(-c2ccc(C)cc2)no1 ZINC000541844150 1036439219 /nfs/dbraw/zinc/43/92/19/1036439219.db2.gz DGMCRZOHLGKJBW-UHFFFAOYSA-N 1 1 323.396 3.869 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001182795755 1036445719 /nfs/dbraw/zinc/44/57/19/1036445719.db2.gz KKONYTZLDCEKBN-HRCADAONSA-N 1 1 308.466 3.578 20 30 DHEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000595866166 1036455175 /nfs/dbraw/zinc/45/51/75/1036455175.db2.gz FQBCDVMQZUGOBX-GXTWGEPZSA-N 1 1 305.447 3.601 20 30 DHEDMO C#CCCCCCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001196219039 1036476079 /nfs/dbraw/zinc/47/60/79/1036476079.db2.gz UUUJCMHKMKDORT-IAGOWNOFSA-N 1 1 307.478 3.870 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccn(C)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542019544 1036490180 /nfs/dbraw/zinc/49/01/80/1036490180.db2.gz XWFNVYCJMZPGAQ-OAHLLOKOSA-N 1 1 316.408 3.810 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001196322817 1036503756 /nfs/dbraw/zinc/50/37/56/1036503756.db2.gz PUYINVNAWQFADD-GASCZTMLSA-N 1 1 304.821 3.770 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2cn(C)nc2-c2cc(F)ccc2F)C1 ZINC001183065104 1036517250 /nfs/dbraw/zinc/51/72/50/1036517250.db2.gz GAKIXSDBPVZESB-ZDUSSCGKSA-N 1 1 317.383 3.763 20 30 DHEDMO N#Cc1cncc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000929732207 1036539442 /nfs/dbraw/zinc/53/94/42/1036539442.db2.gz OAZJRFAOAKAYFC-OAHLLOKOSA-N 1 1 309.438 3.567 20 30 DHEDMO C[C@H]1CC2(CCC2)C[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000762142297 1036557342 /nfs/dbraw/zinc/55/73/42/1036557342.db2.gz NCYQZGKXPVKKKW-HNNXBMFYSA-N 1 1 306.413 3.644 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(C)cc1C ZINC000491424177 1036572123 /nfs/dbraw/zinc/57/21/23/1036572123.db2.gz SDFJZKFDSOEUSP-UHFFFAOYSA-N 1 1 312.413 3.566 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(C)cc1C ZINC000491424177 1036572140 /nfs/dbraw/zinc/57/21/40/1036572140.db2.gz SDFJZKFDSOEUSP-UHFFFAOYSA-N 1 1 312.413 3.566 20 30 DHEDMO C#CC[N@H+](C[C@H](C)c1ccc(C(F)(F)F)cc1)C1CSC1 ZINC001183419200 1036592004 /nfs/dbraw/zinc/59/20/04/1036592004.db2.gz JAXPQPZVPCJCAI-LBPRGKRZSA-N 1 1 313.388 3.860 20 30 DHEDMO C=CCOCC[N@@H+]1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC001196842273 1036622872 /nfs/dbraw/zinc/62/28/72/1036622872.db2.gz QPGRISZFTZPHFA-ZFWWWQNUSA-N 1 1 324.262 3.830 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(OCC)c(OC)c1)c1ccc(F)cc1 ZINC000491735813 1036631377 /nfs/dbraw/zinc/63/13/77/1036631377.db2.gz QCHWJUMGKVVMKF-QGZVFWFLSA-N 1 1 313.372 3.697 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)cs1 ZINC001183779432 1036667551 /nfs/dbraw/zinc/66/75/51/1036667551.db2.gz MJEFJHZANBRGKY-LBPRGKRZSA-N 1 1 304.365 3.887 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)cs1 ZINC001183779432 1036667566 /nfs/dbraw/zinc/66/75/66/1036667566.db2.gz MJEFJHZANBRGKY-LBPRGKRZSA-N 1 1 304.365 3.887 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccccc1OC(F)F ZINC001197105055 1036689136 /nfs/dbraw/zinc/68/91/36/1036689136.db2.gz PAIHVYBXDZEPPV-UHFFFAOYSA-N 1 1 316.351 3.834 20 30 DHEDMO C[C@]1(C(F)(F)F)CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC001197552439 1036798886 /nfs/dbraw/zinc/79/88/86/1036798886.db2.gz JVWNNEFGVNAGBR-HNNXBMFYSA-N 1 1 312.335 3.601 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc([N+](=O)[O-])cc1 ZINC001197646851 1036823768 /nfs/dbraw/zinc/82/37/68/1036823768.db2.gz MDKURRHQUPZEDB-LLVKDONJSA-N 1 1 315.760 3.971 20 30 DHEDMO CC(C)C[N@@H+](Cc1cc(C#N)ccc1Br)C1CC1 ZINC000492358067 1036845567 /nfs/dbraw/zinc/84/55/67/1036845567.db2.gz QBGAWLMOHOLWBO-UHFFFAOYSA-N 1 1 307.235 3.941 20 30 DHEDMO C=CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001184407630 1036836499 /nfs/dbraw/zinc/83/64/99/1036836499.db2.gz SZIGRBAMCNTWMW-MRXNPFEDSA-N 1 1 320.864 3.634 20 30 DHEDMO Cn1cc([C@@H]2C[N@@H+](CCCCC(C)(C)C#N)CC2(C)C)cn1 ZINC000570056774 1036902876 /nfs/dbraw/zinc/90/28/76/1036902876.db2.gz LZDPHVDCSLRPTK-INIZCTEOSA-N 1 1 302.466 3.566 20 30 DHEDMO Cc1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1C#N ZINC000488212605 1036907701 /nfs/dbraw/zinc/90/77/01/1036907701.db2.gz QWDYBMVEQZOLGX-UHFFFAOYSA-N 1 1 321.380 3.940 20 30 DHEDMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000495771575 1036910492 /nfs/dbraw/zinc/91/04/92/1036910492.db2.gz TUGVZFSMGMHLPG-OAHLLOKOSA-N 1 1 323.481 3.696 20 30 DHEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000492584051 1036934311 /nfs/dbraw/zinc/93/43/11/1036934311.db2.gz SOUASLSGHMGJCG-ZDUSSCGKSA-N 1 1 305.219 3.553 20 30 DHEDMO C#CCC1([NH2+]Cc2nc(Cc3ccccc3C)no2)CCCCC1 ZINC001198085411 1036944167 /nfs/dbraw/zinc/94/41/67/1036944167.db2.gz UGKNYXSSRXFOBF-UHFFFAOYSA-N 1 1 323.440 3.785 20 30 DHEDMO C#CC[N@@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@@H]1CCCc2ccccc21 ZINC001198104882 1036955959 /nfs/dbraw/zinc/95/59/59/1036955959.db2.gz VEAPCSXHLSBXAL-MMKMLUHNSA-N 1 1 309.453 3.957 20 30 DHEDMO Cc1cc(C[NH2+]Cc2coc(-c3ccccc3)n2)ccc1C#N ZINC000443993508 1036973524 /nfs/dbraw/zinc/97/35/24/1036973524.db2.gz JPTASFDYSMXYGB-UHFFFAOYSA-N 1 1 303.365 3.812 20 30 DHEDMO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1cc(Cl)cc(C#N)c1 ZINC001198442150 1037034054 /nfs/dbraw/zinc/03/40/54/1037034054.db2.gz XQZUHIAQJXPFNU-UHFFFAOYSA-N 1 1 322.836 3.765 20 30 DHEDMO C=CCCCCC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000488465399 1037036648 /nfs/dbraw/zinc/03/66/48/1037036648.db2.gz OUBURLYPARJHLJ-SFHVURJKSA-N 1 1 314.473 3.875 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC001198490309 1037037049 /nfs/dbraw/zinc/03/70/49/1037037049.db2.gz JFQHPAWTFPKECT-ULQDDVLXSA-N 1 1 322.493 3.968 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000488531297 1037057357 /nfs/dbraw/zinc/05/73/57/1037057357.db2.gz UKOWPYQWGANCQV-UHFFFAOYSA-N 1 1 315.442 3.647 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000488531297 1037057371 /nfs/dbraw/zinc/05/73/71/1037057371.db2.gz UKOWPYQWGANCQV-UHFFFAOYSA-N 1 1 315.442 3.647 20 30 DHEDMO C[C@@H]1CN(c2c(Cl)cccc2C#N)CC[N@H+](C2CCC2)C1 ZINC000488749764 1037130543 /nfs/dbraw/zinc/13/05/43/1037130543.db2.gz JOSQRQULNTVKEC-ZDUSSCGKSA-N 1 1 303.837 3.522 20 30 DHEDMO Cc1cc(F)c(C[NH+]2CCC(S)CC2)c(Br)c1 ZINC001235459554 1037138699 /nfs/dbraw/zinc/13/86/99/1037138699.db2.gz AHOSBIPAEDFMHJ-UHFFFAOYSA-N 1 1 318.255 3.791 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2c(F)cc(C)cc2Br)C1 ZINC001235462282 1037149777 /nfs/dbraw/zinc/14/97/77/1037149777.db2.gz KNIZKAZTUYYKDQ-LBPRGKRZSA-N 1 1 310.210 3.742 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2c(F)cc(C)cc2Br)C1 ZINC001235462282 1037149789 /nfs/dbraw/zinc/14/97/89/1037149789.db2.gz KNIZKAZTUYYKDQ-LBPRGKRZSA-N 1 1 310.210 3.742 20 30 DHEDMO C=C(Cl)C[NH2+]Cc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000775968567 1037265674 /nfs/dbraw/zinc/26/56/74/1037265674.db2.gz JQRYBMLOHMXPER-UHFFFAOYSA-N 1 1 305.761 3.575 20 30 DHEDMO CC1(C)CCC[N@@H+](CCNc2ncc(C#N)c3ccsc32)C1 ZINC001186267487 1037350176 /nfs/dbraw/zinc/35/01/76/1037350176.db2.gz RPBAKBWHRNHHKQ-UHFFFAOYSA-N 1 1 314.458 3.702 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000489494779 1037463829 /nfs/dbraw/zinc/46/38/29/1037463829.db2.gz JYIGPGVHUKHNMK-BBRMVZONSA-N 1 1 306.837 3.558 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000489494779 1037463843 /nfs/dbraw/zinc/46/38/43/1037463843.db2.gz JYIGPGVHUKHNMK-BBRMVZONSA-N 1 1 306.837 3.558 20 30 DHEDMO COCC[N@H+](Cc1ccc(F)cc1C#N)[C@H](C)c1ccccc1 ZINC000489650489 1037506584 /nfs/dbraw/zinc/50/65/84/1037506584.db2.gz RVQPJQFFUFPKMP-OAHLLOKOSA-N 1 1 312.388 3.907 20 30 DHEDMO COCC[N@@H+](Cc1ccc(F)cc1C#N)[C@H](C)c1ccccc1 ZINC000489650489 1037506599 /nfs/dbraw/zinc/50/65/99/1037506599.db2.gz RVQPJQFFUFPKMP-OAHLLOKOSA-N 1 1 312.388 3.907 20 30 DHEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCCc2ccccc21 ZINC000763224435 1037519868 /nfs/dbraw/zinc/51/98/68/1037519868.db2.gz ABPPYWBILMAKLJ-PMACEKPBSA-N 1 1 306.409 3.601 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000150898146 1037522078 /nfs/dbraw/zinc/52/20/78/1037522078.db2.gz IMYHBRGUDZFJHN-ZDUSSCGKSA-N 1 1 309.841 3.740 20 30 DHEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000490004914 1037574126 /nfs/dbraw/zinc/57/41/26/1037574126.db2.gz JFVRXYNSGIBIFN-LJQANCHMSA-N 1 1 321.424 3.514 20 30 DHEDMO COCC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCC[C@H]1C ZINC000488061552 1037609855 /nfs/dbraw/zinc/60/98/55/1037609855.db2.gz KXQJYTJMZYHEHJ-CXAGYDPISA-N 1 1 306.837 3.849 20 30 DHEDMO C[C@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000776156852 1037611934 /nfs/dbraw/zinc/61/19/34/1037611934.db2.gz MMEPGUHCYLCEBT-BBWFWOEESA-N 1 1 315.461 3.502 20 30 DHEDMO C[C@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000776156852 1037611940 /nfs/dbraw/zinc/61/19/40/1037611940.db2.gz MMEPGUHCYLCEBT-BBWFWOEESA-N 1 1 315.461 3.502 20 30 DHEDMO Clc1cccc(N2CCOCC2)c1C=[NH+]Nc1ccccc1 ZINC000915933541 1037617156 /nfs/dbraw/zinc/61/71/56/1037617156.db2.gz YWCSZRZUHGTFAE-UHFFFAOYSA-N 1 1 315.804 3.623 20 30 DHEDMO CCN(CC)c1ccc(C=[NH+]NCc2ccc(F)c(F)c2)cc1 ZINC000915974600 1037626178 /nfs/dbraw/zinc/62/61/78/1037626178.db2.gz JCHUUSSMFGEGGJ-UHFFFAOYSA-N 1 1 317.383 3.935 20 30 DHEDMO N#Cc1cccc(N=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001201470204 1037704740 /nfs/dbraw/zinc/70/47/40/1037704740.db2.gz MYEGEKBSPDAAFE-MOPGFXCFSA-N 1 1 316.408 3.686 20 30 DHEDMO N#Cc1cccc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC001201470204 1037704759 /nfs/dbraw/zinc/70/47/59/1037704759.db2.gz MYEGEKBSPDAAFE-MOPGFXCFSA-N 1 1 316.408 3.686 20 30 DHEDMO CCCCCCCCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000916193968 1037707530 /nfs/dbraw/zinc/70/75/30/1037707530.db2.gz CAZVJOBHLVUVCK-IAGOWNOFSA-N 1 1 309.498 3.663 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)C3(CCC3)C2)cc1 ZINC001168509039 1037711475 /nfs/dbraw/zinc/71/14/75/1037711475.db2.gz GRHDKXAJQQWSOA-INIZCTEOSA-N 1 1 310.441 3.509 20 30 DHEDMO CCCC[C@@H](CC)C[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001201568341 1037783600 /nfs/dbraw/zinc/78/36/00/1037783600.db2.gz QYPGHSIOOOISHA-QGZVFWFLSA-N 1 1 314.477 3.682 20 30 DHEDMO N#Cc1ccccc1O[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001201606113 1037806635 /nfs/dbraw/zinc/80/66/35/1037806635.db2.gz JKCHMUWCMOBKQO-IBGZPJMESA-N 1 1 306.409 3.644 20 30 DHEDMO C=CCOC(=O)N1CCC2(CCC[N@H+](CCC(C)C)C2)CC1 ZINC001201613659 1037809640 /nfs/dbraw/zinc/80/96/40/1037809640.db2.gz XOECYSAMFWAYAQ-UHFFFAOYSA-N 1 1 308.466 3.533 20 30 DHEDMO CCC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763396773 1037816973 /nfs/dbraw/zinc/81/69/73/1037816973.db2.gz FVVQQRZLTNKYAO-FQEVSTJZSA-N 1 1 324.424 3.512 20 30 DHEDMO CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccc(F)cc1 ZINC000763396229 1037818000 /nfs/dbraw/zinc/81/80/00/1037818000.db2.gz CTNULQXZDKVQON-AUUYWEPGSA-N 1 1 312.388 3.814 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000185750218 1037833790 /nfs/dbraw/zinc/83/37/90/1037833790.db2.gz MNZKCCYMQPDVGQ-DLBZAZTESA-N 1 1 302.462 3.616 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@]2(C1)C(=O)NC[C@@H]2c1ccccc1 ZINC001201762522 1037884541 /nfs/dbraw/zinc/88/45/41/1037884541.db2.gz NUBNFYQGCFXCCT-QUCCMNQESA-N 1 1 314.473 3.563 20 30 DHEDMO CCCCCCCC[N@H+]1CCCn2nc(C(=O)OCC)cc2C1 ZINC001201804878 1037899659 /nfs/dbraw/zinc/89/96/59/1037899659.db2.gz WDAOVBVZQSDYOB-UHFFFAOYSA-N 1 1 321.465 3.626 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2cn(CC)nc2[C@@H](COCC)C1 ZINC001201776337 1037904114 /nfs/dbraw/zinc/90/41/14/1037904114.db2.gz BVKMDFOJCCIDNL-QGZVFWFLSA-N 1 1 307.482 3.809 20 30 DHEDMO C#C[C@@H](CC)NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000491141870 1037916100 /nfs/dbraw/zinc/91/61/00/1037916100.db2.gz BWAZBLLMNXJTKX-INIZCTEOSA-N 1 1 324.428 3.588 20 30 DHEDMO COc1ccc(C[C@@H](C)C[N@@H+](CCC#N)CC2CC2)cc1F ZINC000186690169 1037924465 /nfs/dbraw/zinc/92/44/65/1037924465.db2.gz PPPFTRKZWQFDBR-CQSZACIVSA-N 1 1 304.409 3.639 20 30 DHEDMO CCCCCCCCCC[N@@H+](C)C1CCS(=O)(=O)CC1 ZINC001201875427 1037927236 /nfs/dbraw/zinc/92/72/36/1037927236.db2.gz ZRGFRCNXAMMROC-UHFFFAOYSA-N 1 1 303.512 3.636 20 30 DHEDMO C#C[C@@H](C)[N@H+](C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000775183229 1037946219 /nfs/dbraw/zinc/94/62/19/1037946219.db2.gz KBHYKMGLJZHGBD-CYBMUJFWSA-N 1 1 315.848 3.655 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000775183229 1037946241 /nfs/dbraw/zinc/94/62/41/1037946241.db2.gz KBHYKMGLJZHGBD-CYBMUJFWSA-N 1 1 315.848 3.655 20 30 DHEDMO C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000586780145 1037962516 /nfs/dbraw/zinc/96/25/16/1037962516.db2.gz DORZMDKKBMCTIP-LPHOPBHVSA-N 1 1 311.473 3.546 20 30 DHEDMO C[C@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000586780145 1037962530 /nfs/dbraw/zinc/96/25/30/1037962530.db2.gz DORZMDKKBMCTIP-LPHOPBHVSA-N 1 1 311.473 3.546 20 30 DHEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001202055789 1037993542 /nfs/dbraw/zinc/99/35/42/1037993542.db2.gz OULQTPUPRKTQGX-SFHVURJKSA-N 1 1 308.466 3.533 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000570959502 1038042247 /nfs/dbraw/zinc/04/22/47/1038042247.db2.gz FKOHXEGMJFBEEW-KRWDZBQOSA-N 1 1 305.425 3.872 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C)C(C)C ZINC000917068798 1038166175 /nfs/dbraw/zinc/16/61/75/1038166175.db2.gz BZBCFSZRWIRNAG-GOSISDBHSA-N 1 1 306.425 3.535 20 30 DHEDMO C=CC[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C(C)C ZINC000917069389 1038166238 /nfs/dbraw/zinc/16/62/38/1038166238.db2.gz OIPPTPBAJPOOGB-CYBMUJFWSA-N 1 1 318.244 3.630 20 30 DHEDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000571689508 1038181478 /nfs/dbraw/zinc/18/14/78/1038181478.db2.gz UHHVJUZRRRCGGH-GDBMZVCRSA-N 1 1 310.445 3.853 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC000164445011 1038188982 /nfs/dbraw/zinc/18/89/82/1038188982.db2.gz GBNDCCWOJVXYHQ-LJQANCHMSA-N 1 1 319.408 3.506 20 30 DHEDMO C#CC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCc2ccccc21 ZINC000917117484 1038217701 /nfs/dbraw/zinc/21/77/01/1038217701.db2.gz OMTKJXDGDFEULO-HXUWFJFHSA-N 1 1 304.368 3.820 20 30 DHEDMO C#CC[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCc2ccccc21 ZINC000917117484 1038217709 /nfs/dbraw/zinc/21/77/09/1038217709.db2.gz OMTKJXDGDFEULO-HXUWFJFHSA-N 1 1 304.368 3.820 20 30 DHEDMO C=CCCC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000588085698 1038230160 /nfs/dbraw/zinc/23/01/60/1038230160.db2.gz UPHASPTXAPJTAP-CALCHBBNSA-N 1 1 314.473 3.747 20 30 DHEDMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC000571780025 1038251570 /nfs/dbraw/zinc/25/15/70/1038251570.db2.gz FNZSPUYJAUYUFF-NFAWXSAZSA-N 1 1 321.827 3.682 20 30 DHEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000588200472 1038273481 /nfs/dbraw/zinc/27/34/81/1038273481.db2.gz ZALYDXZJFVQDOS-OAHLLOKOSA-N 1 1 305.219 3.695 20 30 DHEDMO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000588200472 1038273496 /nfs/dbraw/zinc/27/34/96/1038273496.db2.gz ZALYDXZJFVQDOS-OAHLLOKOSA-N 1 1 305.219 3.695 20 30 DHEDMO CCC[N@@H+](CCN(C)Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC001190347678 1038302930 /nfs/dbraw/zinc/30/29/30/1038302930.db2.gz FEULFMLJKGVGIX-UHFFFAOYSA-N 1 1 321.468 3.902 20 30 DHEDMO CCCN(CC[N@H+](C)Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC001190347678 1038302947 /nfs/dbraw/zinc/30/29/47/1038302947.db2.gz FEULFMLJKGVGIX-UHFFFAOYSA-N 1 1 321.468 3.902 20 30 DHEDMO CCCN(CC[N@@H+](C)Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC001190347678 1038302962 /nfs/dbraw/zinc/30/29/62/1038302962.db2.gz FEULFMLJKGVGIX-UHFFFAOYSA-N 1 1 321.468 3.902 20 30 DHEDMO CC(C)c1nnc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000775394380 1038330318 /nfs/dbraw/zinc/33/03/18/1038330318.db2.gz FCTXOLXRXQJKKZ-OAHLLOKOSA-N 1 1 312.442 3.700 20 30 DHEDMO C[N@@H+](CCCc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000572410394 1038366505 /nfs/dbraw/zinc/36/65/05/1038366505.db2.gz YRUNIGGROZAWFU-UHFFFAOYSA-N 1 1 309.369 3.531 20 30 DHEDMO CCc1cccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC001190817587 1038389406 /nfs/dbraw/zinc/38/94/06/1038389406.db2.gz BLFQAZMJHCVMNV-UHFFFAOYSA-N 1 1 319.452 3.833 20 30 DHEDMO Cn1cc(C[N@@H+](C)[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)cc1C#N ZINC000589205882 1038449766 /nfs/dbraw/zinc/44/97/66/1038449766.db2.gz UCXIPBBRQYZCEU-RBUKOAKNSA-N 1 1 323.440 3.575 20 30 DHEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1coc(-c3ccccc3)n1)CC2 ZINC000589340686 1038461774 /nfs/dbraw/zinc/46/17/74/1038461774.db2.gz OYRXBQKPBAJYRM-LJQANCHMSA-N 1 1 315.376 3.990 20 30 DHEDMO C#CCCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001191289254 1038481229 /nfs/dbraw/zinc/48/12/29/1038481229.db2.gz KRGZEVRKEVUBNL-MRXNPFEDSA-N 1 1 308.466 3.511 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CCCC3(C2)CCCCCC3)CCC1 ZINC001191350649 1038488169 /nfs/dbraw/zinc/48/81/69/1038488169.db2.gz PCSOVCCYKDDPPN-KRWDZBQOSA-N 1 1 304.478 3.868 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCCC3(C2)CCCCCC3)CCC1 ZINC001191350650 1038488255 /nfs/dbraw/zinc/48/82/55/1038488255.db2.gz PCSOVCCYKDDPPN-QGZVFWFLSA-N 1 1 304.478 3.868 20 30 DHEDMO Cc1ccnc([C@H]2CC[N@@H+](CCCOc3cccc(C#N)c3)C2)c1 ZINC000572778434 1038501089 /nfs/dbraw/zinc/50/10/89/1038501089.db2.gz IEKVAAMOFFXVQA-SFHVURJKSA-N 1 1 321.424 3.520 20 30 DHEDMO Cc1ccnc([C@@H]2CC[N@@H+](CCCOc3cccc(C#N)c3)C2)c1 ZINC000572778433 1038501207 /nfs/dbraw/zinc/50/12/07/1038501207.db2.gz IEKVAAMOFFXVQA-GOSISDBHSA-N 1 1 321.424 3.520 20 30 DHEDMO C=C(C)COc1cccc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000589701120 1038533130 /nfs/dbraw/zinc/53/31/30/1038533130.db2.gz GLWYJVNOOCNTFJ-OWCLPIDISA-N 1 1 316.445 3.841 20 30 DHEDMO C=C(C)COc1cccc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000589701121 1038534156 /nfs/dbraw/zinc/53/41/56/1038534156.db2.gz GLWYJVNOOCNTFJ-XHSDSOJGSA-N 1 1 316.445 3.841 20 30 DHEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001191741188 1038541079 /nfs/dbraw/zinc/54/10/79/1038541079.db2.gz IAKCWTBLTYKGEE-IRXDYDNUSA-N 1 1 304.409 3.723 20 30 DHEDMO COC(=O)c1cccc(C[N@H+](C)Cc2cccc(C)c2C)c1C#N ZINC000589999043 1038563243 /nfs/dbraw/zinc/56/32/43/1038563243.db2.gz VKWHQTMDXJMQKX-UHFFFAOYSA-N 1 1 322.408 3.594 20 30 DHEDMO COC(=O)c1cccc(C[N@@H+](C)Cc2cccc(C)c2C)c1C#N ZINC000589999043 1038563255 /nfs/dbraw/zinc/56/32/55/1038563255.db2.gz VKWHQTMDXJMQKX-UHFFFAOYSA-N 1 1 322.408 3.594 20 30 DHEDMO COC(=O)[C@H](CC(C)C)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000590025804 1038568870 /nfs/dbraw/zinc/56/88/70/1038568870.db2.gz VZOAEYPYIYHICA-KRWDZBQOSA-N 1 1 316.445 3.507 20 30 DHEDMO COC(=O)[C@H](CC(C)C)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000590025804 1038568875 /nfs/dbraw/zinc/56/88/75/1038568875.db2.gz VZOAEYPYIYHICA-KRWDZBQOSA-N 1 1 316.445 3.507 20 30 DHEDMO CSCc1cnc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000590188338 1038603954 /nfs/dbraw/zinc/60/39/54/1038603954.db2.gz UWWCZTGLPXBZCJ-OAHLLOKOSA-N 1 1 315.467 3.655 20 30 DHEDMO C=CCCCC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001192471899 1038657067 /nfs/dbraw/zinc/65/70/67/1038657067.db2.gz RSHSOGRSIGWPIP-YESZJQIVSA-N 1 1 322.493 3.968 20 30 DHEDMO N#CCC1CC[NH+](Cc2cccc(Br)c2F)CC1 ZINC000590649019 1038686016 /nfs/dbraw/zinc/68/60/16/1038686016.db2.gz WZVWVIHAFROHRI-UHFFFAOYSA-N 1 1 311.198 3.714 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000590755458 1038698160 /nfs/dbraw/zinc/69/81/60/1038698160.db2.gz JRDXOTBZHRLXLV-OTWHNJEPSA-N 1 1 312.457 3.613 20 30 DHEDMO CN(C)C(=O)c1cccc(C[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000775551251 1038706672 /nfs/dbraw/zinc/70/66/72/1038706672.db2.gz VIEWIAGOONSISG-IBGZPJMESA-N 1 1 321.424 3.523 20 30 DHEDMO CCc1ccc(C2=CC[N@H+](Cc3cncc(C#N)c3)CC2)cc1 ZINC001192857217 1038710033 /nfs/dbraw/zinc/71/00/33/1038710033.db2.gz ANCPCGDGZYEASK-UHFFFAOYSA-N 1 1 303.409 3.805 20 30 DHEDMO CCc1ccc(C2=CC[N@@H+](Cc3cncc(C#N)c3)CC2)cc1 ZINC001192857217 1038710041 /nfs/dbraw/zinc/71/00/41/1038710041.db2.gz ANCPCGDGZYEASK-UHFFFAOYSA-N 1 1 303.409 3.805 20 30 DHEDMO N#CCCCOc1cccc(C[NH+]2CC(CC(F)(F)F)C2)c1 ZINC000590969220 1038733712 /nfs/dbraw/zinc/73/37/12/1038733712.db2.gz QOQSKYNBHTXVGP-UHFFFAOYSA-N 1 1 312.335 3.753 20 30 DHEDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000591020974 1038749723 /nfs/dbraw/zinc/74/97/23/1038749723.db2.gz MCMLQAMDVBYCEA-KRWDZBQOSA-N 1 1 320.477 3.906 20 30 DHEDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000591020975 1038750236 /nfs/dbraw/zinc/75/02/36/1038750236.db2.gz MCMLQAMDVBYCEA-QGZVFWFLSA-N 1 1 320.477 3.906 20 30 DHEDMO Cn1cc(C[N@H+]2CC[C@@H](C3CCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000591063224 1038755078 /nfs/dbraw/zinc/75/50/78/1038755078.db2.gz LOJUZJHESKHXLZ-GOSISDBHSA-N 1 1 320.440 3.581 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1F ZINC000598626452 1038800391 /nfs/dbraw/zinc/80/03/91/1038800391.db2.gz WMLACTJCMKPDJB-QFBILLFUSA-N 1 1 318.436 3.523 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1F ZINC000598626453 1038802815 /nfs/dbraw/zinc/80/28/15/1038802815.db2.gz WMLACTJCMKPDJB-VQIMIIECSA-N 1 1 318.436 3.523 20 30 DHEDMO CCOc1cncc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000598679425 1038819822 /nfs/dbraw/zinc/81/98/22/1038819822.db2.gz SPIAXYTZDFAYMH-HNNXBMFYSA-N 1 1 309.413 3.935 20 30 DHEDMO CCOc1cncc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000598672966 1038828095 /nfs/dbraw/zinc/82/80/95/1038828095.db2.gz MOGXYMUJMUUZAV-UHFFFAOYSA-N 1 1 319.408 3.641 20 30 DHEDMO CCOc1cncc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000598672966 1038828120 /nfs/dbraw/zinc/82/81/20/1038828120.db2.gz MOGXYMUJMUUZAV-UHFFFAOYSA-N 1 1 319.408 3.641 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(CNc2ccc(C#N)cc2COC)c1 ZINC000603276664 1038903164 /nfs/dbraw/zinc/90/31/64/1038903164.db2.gz GRGMXYWNQZXINF-UHFFFAOYSA-N 1 1 323.440 3.768 20 30 DHEDMO C#CCC[N@@H+](C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000760834760 1038910577 /nfs/dbraw/zinc/91/05/77/1038910577.db2.gz SWWYMTQVBUYEDT-UHFFFAOYSA-N 1 1 313.420 3.884 20 30 DHEDMO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(C#N)c(Cl)c1 ZINC000591573304 1038937301 /nfs/dbraw/zinc/93/73/01/1038937301.db2.gz IIOIBBDXODAKGB-BBRMVZONSA-N 1 1 305.853 3.612 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c(C(F)(F)F)c1 ZINC000593697564 1039077195 /nfs/dbraw/zinc/07/71/95/1039077195.db2.gz MCFKJUYYJKUGEY-CYBMUJFWSA-N 1 1 316.273 3.808 20 30 DHEDMO COc1ccc(C[C@@H](C)C[N@@H+]2Cc3cccc(C#N)c3C2)cc1F ZINC000593697105 1039077655 /nfs/dbraw/zinc/07/76/55/1039077655.db2.gz LHBDTYWCPPIMRJ-CQSZACIVSA-N 1 1 324.399 3.900 20 30 DHEDMO COc1ccc(C[C@@H](C)C[N@H+]2Cc3cccc(C#N)c3C2)cc1F ZINC000593697105 1039077676 /nfs/dbraw/zinc/07/76/76/1039077676.db2.gz LHBDTYWCPPIMRJ-CQSZACIVSA-N 1 1 324.399 3.900 20 30 DHEDMO CC(C)C[N@H+](Cc1ccncc1C#N)[C@@H]1CCCc2cccnc21 ZINC000592106680 1039113260 /nfs/dbraw/zinc/11/32/60/1039113260.db2.gz LWCICEJMBXPYSL-LJQANCHMSA-N 1 1 320.440 3.884 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccncc1C#N)[C@@H]1CCCc2cccnc21 ZINC000592106680 1039113272 /nfs/dbraw/zinc/11/32/72/1039113272.db2.gz LWCICEJMBXPYSL-LJQANCHMSA-N 1 1 320.440 3.884 20 30 DHEDMO COc1ccc(C[N@H+](Cc2ccncc2C#N)[C@H](C)C2CC2)cc1 ZINC000592063886 1039116050 /nfs/dbraw/zinc/11/60/50/1039116050.db2.gz LQMUMRTYAPYVGM-OAHLLOKOSA-N 1 1 321.424 3.763 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccncc2C#N)[C@H](C)C2CC2)cc1 ZINC000592063886 1039116054 /nfs/dbraw/zinc/11/60/54/1039116054.db2.gz LQMUMRTYAPYVGM-OAHLLOKOSA-N 1 1 321.424 3.763 20 30 DHEDMO CC[C@@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@H]1c1ccccc1 ZINC000592071502 1039117522 /nfs/dbraw/zinc/11/75/22/1039117522.db2.gz KFQXRSSXICRKKA-OXQOHEQNSA-N 1 1 305.425 3.969 20 30 DHEDMO CCCC[N@@H+](Cc1ccncc1C#N)[C@@H]1CCCC[C@H]1OC ZINC000592125704 1039123126 /nfs/dbraw/zinc/12/31/26/1039123126.db2.gz HSOKAOURTKYAEQ-QZTJIDSGSA-N 1 1 301.434 3.513 20 30 DHEDMO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1Cc1ccncc1C#N ZINC000592123255 1039124428 /nfs/dbraw/zinc/12/44/28/1039124428.db2.gz RIVVCYAVWFOSHW-DNVCBOLYSA-N 1 1 321.424 3.935 20 30 DHEDMO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1Cc1ccncc1C#N ZINC000592123255 1039124438 /nfs/dbraw/zinc/12/44/38/1039124438.db2.gz RIVVCYAVWFOSHW-DNVCBOLYSA-N 1 1 321.424 3.935 20 30 DHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCC(C)(C)C ZINC000592144817 1039125865 /nfs/dbraw/zinc/12/58/65/1039125865.db2.gz IYEMZEHNSLHFKS-MRXNPFEDSA-N 1 1 315.461 3.690 20 30 DHEDMO Cc1ccc(C[N@@H+](Cc2ccc(C#N)cc2F)CC2CC2)cn1 ZINC000592145527 1039139037 /nfs/dbraw/zinc/13/90/37/1039139037.db2.gz UPCDSZXLSVNCLH-UHFFFAOYSA-N 1 1 309.388 3.813 20 30 DHEDMO Cc1ccc(C[N@H+](Cc2ccc(C#N)cc2F)CC2CC2)cn1 ZINC000592145527 1039139042 /nfs/dbraw/zinc/13/90/42/1039139042.db2.gz UPCDSZXLSVNCLH-UHFFFAOYSA-N 1 1 309.388 3.813 20 30 DHEDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1C#N ZINC000599393592 1039148095 /nfs/dbraw/zinc/14/80/95/1039148095.db2.gz KMRNSWNCYFOZER-XUVXKRRUSA-N 1 1 312.457 3.772 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000592168622 1039162424 /nfs/dbraw/zinc/16/24/24/1039162424.db2.gz SWIGOUTVJXYKOQ-SFTDATJTSA-N 1 1 320.436 3.516 20 30 DHEDMO C[N@@H+](CCOc1cccc(C#N)c1)[C@@H]1CCCc2ccccc21 ZINC000603837443 1039176422 /nfs/dbraw/zinc/17/64/22/1039176422.db2.gz UXMKMMYXQQDJBN-HXUWFJFHSA-N 1 1 306.409 3.946 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000603868489 1039203773 /nfs/dbraw/zinc/20/37/73/1039203773.db2.gz PBLKVGSEDASGJA-LJQANCHMSA-N 1 1 310.372 3.913 20 30 DHEDMO Cc1ccc(-c2nn(C)cc2C[N@H+](CCC#N)CC(C)(C)C)o1 ZINC000592499586 1039217201 /nfs/dbraw/zinc/21/72/01/1039217201.db2.gz LSWCUMHDZQQRQX-UHFFFAOYSA-N 1 1 314.433 3.750 20 30 DHEDMO Cc1ccc(-c2nn(C)cc2C[N@@H+](CCC#N)CC(C)(C)C)o1 ZINC000592499586 1039217215 /nfs/dbraw/zinc/21/72/15/1039217215.db2.gz LSWCUMHDZQQRQX-UHFFFAOYSA-N 1 1 314.433 3.750 20 30 DHEDMO CC(C)Sc1cccc(Cl)c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592521998 1039224444 /nfs/dbraw/zinc/22/44/44/1039224444.db2.gz GMKKAWJJSSAULK-MRXNPFEDSA-N 1 1 324.877 3.691 20 30 DHEDMO CC(C)Sc1cccc(Cl)c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592521998 1039224457 /nfs/dbraw/zinc/22/44/57/1039224457.db2.gz GMKKAWJJSSAULK-MRXNPFEDSA-N 1 1 324.877 3.691 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000599621388 1039228324 /nfs/dbraw/zinc/22/83/24/1039228324.db2.gz LEWIESCBXCSLES-IRXDYDNUSA-N 1 1 318.436 3.694 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000599621389 1039229214 /nfs/dbraw/zinc/22/92/14/1039229214.db2.gz LEWIESCBXCSLES-SJORKVTESA-N 1 1 318.436 3.694 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679292 1039266434 /nfs/dbraw/zinc/26/64/34/1039266434.db2.gz XRKIRHHDIMNFCL-OAHLLOKOSA-N 1 1 301.393 3.744 20 30 DHEDMO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000593094277 1039435796 /nfs/dbraw/zinc/43/57/96/1039435796.db2.gz XRYMUEPACLORSE-HNNXBMFYSA-N 1 1 308.466 3.903 20 30 DHEDMO C[C@@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000592404490 1039447106 /nfs/dbraw/zinc/44/71/06/1039447106.db2.gz YQPUPFCLRJEBQH-HBGVWJBISA-N 1 1 319.452 3.554 20 30 DHEDMO C[C@@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000592404490 1039447116 /nfs/dbraw/zinc/44/71/16/1039447116.db2.gz YQPUPFCLRJEBQH-HBGVWJBISA-N 1 1 319.452 3.554 20 30 DHEDMO C[C@@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000592404490 1039447121 /nfs/dbraw/zinc/44/71/21/1039447121.db2.gz YQPUPFCLRJEBQH-HBGVWJBISA-N 1 1 319.452 3.554 20 30 DHEDMO N#CCSCCC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593126459 1039451281 /nfs/dbraw/zinc/45/12/81/1039451281.db2.gz VOTVBIZWYUSRIT-BZSNNMDCSA-N 1 1 316.470 3.628 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000604392926 1039464518 /nfs/dbraw/zinc/46/45/18/1039464518.db2.gz LHAHXRLEDOXRIP-ZIFCJYIRSA-N 1 1 314.473 3.678 20 30 DHEDMO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)CC(C)C ZINC000604492883 1039485765 /nfs/dbraw/zinc/48/57/65/1039485765.db2.gz PNRKLMBZKBYTFN-UHFFFAOYSA-N 1 1 307.825 3.518 20 30 DHEDMO CCCC[N@H+](CC(=O)N(CC)CCC#N)[C@@H](C)c1ccc(C)o1 ZINC000604493620 1039485821 /nfs/dbraw/zinc/48/58/21/1039485821.db2.gz QMQJFGUFOZBCRO-INIZCTEOSA-N 1 1 319.449 3.513 20 30 DHEDMO CCCC[N@@H+](CC(=O)N(CC)CCC#N)[C@@H](C)c1ccc(C)o1 ZINC000604493620 1039485827 /nfs/dbraw/zinc/48/58/27/1039485827.db2.gz QMQJFGUFOZBCRO-INIZCTEOSA-N 1 1 319.449 3.513 20 30 DHEDMO COc1ccc(Br)cc1C[NH2+]CC1(C#N)CCCC1 ZINC000593649366 1039576208 /nfs/dbraw/zinc/57/62/08/1039576208.db2.gz BHQLXQVPTDXTCG-UHFFFAOYSA-N 1 1 323.234 3.631 20 30 DHEDMO COc1ccc(C[NH2+]CC2(C#N)CCCC2)cc1OCC(C)C ZINC000593649444 1039577200 /nfs/dbraw/zinc/57/72/00/1039577200.db2.gz FAYOYXNQYMPPTG-UHFFFAOYSA-N 1 1 316.445 3.904 20 30 DHEDMO COc1cc(C[NH2+]CC2(C#N)CCCC2)c(SC)cc1OC ZINC000593652829 1039579217 /nfs/dbraw/zinc/57/92/17/1039579217.db2.gz QIGZLBBLWWQAJL-UHFFFAOYSA-N 1 1 320.458 3.599 20 30 DHEDMO Cn1cc(C[NH2+]CC2(C#N)CCCC2)c(C2CCCCC2)n1 ZINC000593653549 1039581578 /nfs/dbraw/zinc/58/15/78/1039581578.db2.gz PYIYYWQNVSIAHI-UHFFFAOYSA-N 1 1 300.450 3.641 20 30 DHEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000593659357 1039584058 /nfs/dbraw/zinc/58/40/58/1039584058.db2.gz LBVFKXVXBGNVTL-IBGZPJMESA-N 1 1 316.445 3.759 20 30 DHEDMO C=CCCC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000605149921 1039638251 /nfs/dbraw/zinc/63/82/51/1039638251.db2.gz QDCJEZREXUHTDR-GJZGRUSLSA-N 1 1 300.229 3.850 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000046477130 1039681268 /nfs/dbraw/zinc/68/12/68/1039681268.db2.gz LLWSBMXACXIUFM-UHFFFAOYSA-N 1 1 324.424 3.899 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CC2(CCCCC2)O1 ZINC000594057785 1039691208 /nfs/dbraw/zinc/69/12/08/1039691208.db2.gz MPYJZJQYPSIZLP-QGZVFWFLSA-N 1 1 320.477 3.511 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000605738762 1039744084 /nfs/dbraw/zinc/74/40/84/1039744084.db2.gz NCQFVANECQHSKH-SFHVURJKSA-N 1 1 302.462 3.788 20 30 DHEDMO C=CCCC[N@H+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000605740728 1039744337 /nfs/dbraw/zinc/74/43/37/1039744337.db2.gz VICIPQVPAMLWSZ-KRWDZBQOSA-N 1 1 305.462 3.622 20 30 DHEDMO CC(C)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000574640487 1039764814 /nfs/dbraw/zinc/76/48/14/1039764814.db2.gz JKRNDBLMELOLSN-UHFFFAOYSA-N 1 1 309.369 3.877 20 30 DHEDMO C[C@H]1CN(c2cccc(C(F)F)c2C#N)CC[N@H+](C2CCC2)C1 ZINC000594585597 1039861958 /nfs/dbraw/zinc/86/19/58/1039861958.db2.gz AQYXVXDLSYNTPT-CYBMUJFWSA-N 1 1 319.399 3.806 20 30 DHEDMO CC(C)(CNCc1ccc(C2(C#N)CC2)cc1)[NH+]1CCCCC1 ZINC000594919619 1039925918 /nfs/dbraw/zinc/92/59/18/1039925918.db2.gz CNTVCXOUZSVXJM-UHFFFAOYSA-N 1 1 311.473 3.596 20 30 DHEDMO CC[C@H]1CCCC[N@@H+]1CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594923976 1039929225 /nfs/dbraw/zinc/92/92/25/1039929225.db2.gz KTROPSLNHFOROP-IBGZPJMESA-N 1 1 311.473 3.596 20 30 DHEDMO CC[C@H]1CCCC[N@H+]1CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594923976 1039929232 /nfs/dbraw/zinc/92/92/32/1039929232.db2.gz KTROPSLNHFOROP-IBGZPJMESA-N 1 1 311.473 3.596 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCC2(C#N)CCCCC2)C1 ZINC000594981210 1039991135 /nfs/dbraw/zinc/99/11/35/1039991135.db2.gz KSPWISGSDWJFSR-MJGOQNOKSA-N 1 1 311.473 3.886 20 30 DHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC2(C#N)CCCCC2)C1 ZINC000594981210 1039991150 /nfs/dbraw/zinc/99/11/50/1039991150.db2.gz KSPWISGSDWJFSR-MJGOQNOKSA-N 1 1 311.473 3.886 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc2c(n1)CCC2 ZINC000574855827 1040059837 /nfs/dbraw/zinc/05/98/37/1040059837.db2.gz AVBFFIMOJCYJFY-TZIWHRDSSA-N 1 1 317.436 3.842 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc2c(n1)CCC2 ZINC000574855827 1040059849 /nfs/dbraw/zinc/05/98/49/1040059849.db2.gz AVBFFIMOJCYJFY-TZIWHRDSSA-N 1 1 317.436 3.842 20 30 DHEDMO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 ZINC000595327739 1040099476 /nfs/dbraw/zinc/09/94/76/1040099476.db2.gz QWNBVBVVLJJHGL-QRWLVFNGSA-N 1 1 324.399 3.702 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000595307930 1040106230 /nfs/dbraw/zinc/10/62/30/1040106230.db2.gz NLZNOWUYATXUOS-GOSISDBHSA-N 1 1 320.392 3.667 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000595432932 1040135969 /nfs/dbraw/zinc/13/59/69/1040135969.db2.gz WRMOJPMERWXZDD-LJQANCHMSA-N 1 1 306.409 3.502 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000595450604 1040144598 /nfs/dbraw/zinc/14/45/98/1040144598.db2.gz UHRQHLJTPKOKRP-NRFANRHFSA-N 1 1 318.420 3.622 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000593019953 1040146158 /nfs/dbraw/zinc/14/61/58/1040146158.db2.gz NZBOBNKNIAWKGM-KRWDZBQOSA-N 1 1 323.352 3.509 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000593019953 1040146161 /nfs/dbraw/zinc/14/61/61/1040146161.db2.gz NZBOBNKNIAWKGM-KRWDZBQOSA-N 1 1 323.352 3.509 20 30 DHEDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595478036 1040149407 /nfs/dbraw/zinc/14/94/07/1040149407.db2.gz ZQVWXJQYPDCZSC-SFHVURJKSA-N 1 1 308.429 3.544 20 30 DHEDMO C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CCCSCC#N ZINC000595514161 1040157362 /nfs/dbraw/zinc/15/73/62/1040157362.db2.gz BARLZMATTGOVSZ-LLVKDONJSA-N 1 1 322.865 3.856 20 30 DHEDMO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@H+](C)CCCSCC#N ZINC000595514161 1040157375 /nfs/dbraw/zinc/15/73/75/1040157375.db2.gz BARLZMATTGOVSZ-LLVKDONJSA-N 1 1 322.865 3.856 20 30 DHEDMO C[C@H](c1nc2ccc(Cl)cc2[nH]1)[N@@H+](C)CCCSCC#N ZINC000595514161 1040157382 /nfs/dbraw/zinc/15/73/82/1040157382.db2.gz BARLZMATTGOVSZ-LLVKDONJSA-N 1 1 322.865 3.856 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000595616640 1040191893 /nfs/dbraw/zinc/19/18/93/1040191893.db2.gz VGSGFBPXEIJIEQ-ZDUSSCGKSA-N 1 1 312.335 3.710 20 30 DHEDMO CC1(C)C[C@@H]([N@H+](Cc2ccccc2)Cc2ccc(C#N)cn2)CO1 ZINC000595637922 1040199358 /nfs/dbraw/zinc/19/93/58/1040199358.db2.gz NEPJOWPELWMQGL-LJQANCHMSA-N 1 1 321.424 3.523 20 30 DHEDMO CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)Cc2ccc(C#N)cn2)CO1 ZINC000595637922 1040199363 /nfs/dbraw/zinc/19/93/63/1040199363.db2.gz NEPJOWPELWMQGL-LJQANCHMSA-N 1 1 321.424 3.523 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000595616098 1040206791 /nfs/dbraw/zinc/20/67/91/1040206791.db2.gz PHBLSMUQMPEBTP-MRXNPFEDSA-N 1 1 321.424 3.794 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H](C)[C@@H]2CCC)c1=S ZINC000173387755 1040239297 /nfs/dbraw/zinc/23/92/97/1040239297.db2.gz RLHLCIJGACZURQ-ZFWWWQNUSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H](C)[C@@H]2CCC)c1=S ZINC000173387755 1040239312 /nfs/dbraw/zinc/23/93/12/1040239312.db2.gz RLHLCIJGACZURQ-ZFWWWQNUSA-N 1 1 308.495 3.767 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822305 1040249070 /nfs/dbraw/zinc/24/90/70/1040249070.db2.gz PZYHTTQGSKMNRA-UHFFFAOYSA-N 1 1 324.468 3.879 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCOc3ccc(O)cc3C2)cc1 ZINC000595845474 1040263334 /nfs/dbraw/zinc/26/33/34/1040263334.db2.gz NWIFSXVAFBHIPA-UHFFFAOYSA-N 1 1 322.408 3.588 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOc3ccc(O)cc3C2)cc1 ZINC000595845474 1040263351 /nfs/dbraw/zinc/26/33/51/1040263351.db2.gz NWIFSXVAFBHIPA-UHFFFAOYSA-N 1 1 322.408 3.588 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(=O)OC)c1Cl ZINC000595845902 1040263502 /nfs/dbraw/zinc/26/35/02/1040263502.db2.gz VTACQGOLMGWOPS-OKILXGFUSA-N 1 1 305.805 3.810 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000173539306 1040319398 /nfs/dbraw/zinc/31/93/98/1040319398.db2.gz DUOGXKYRHZIKRH-INIZCTEOSA-N 1 1 323.481 3.505 20 30 DHEDMO CCC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000063499536 1040327215 /nfs/dbraw/zinc/32/72/15/1040327215.db2.gz QGHTZSTUMMOQKW-LBPRGKRZSA-N 1 1 307.825 3.661 20 30 DHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000063551556 1040354428 /nfs/dbraw/zinc/35/44/28/1040354428.db2.gz WODWYXIVJOPKJL-SFHVURJKSA-N 1 1 311.429 3.541 20 30 DHEDMO CC(C)[N@@H+](CCOc1ccccc1C#N)Cc1ccc(C#N)cc1 ZINC000063750347 1040487053 /nfs/dbraw/zinc/48/70/53/1040487053.db2.gz WNIJHGJPPIWKSM-UHFFFAOYSA-N 1 1 319.408 3.719 20 30 DHEDMO C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccc(C#N)cc2CO)c1 ZINC000596634539 1040532584 /nfs/dbraw/zinc/53/25/84/1040532584.db2.gz JPYLNRYYBHGBIW-HNNXBMFYSA-N 1 1 306.409 3.702 20 30 DHEDMO C[C@@H](C#N)c1ccc(-c2ccccc2CN2CC[NH+](C)CC2)cc1 ZINC000596638776 1040534769 /nfs/dbraw/zinc/53/47/69/1040534769.db2.gz CLTSYNBDBUKAJO-KRWDZBQOSA-N 1 1 319.452 3.728 20 30 DHEDMO C[N@@H+](CCCNC(=O)CC1(C#N)CCCCC1)C1CCCCC1 ZINC000596726035 1040561587 /nfs/dbraw/zinc/56/15/87/1040561587.db2.gz PZRDVTSIADVAJQ-UHFFFAOYSA-N 1 1 319.493 3.621 20 30 DHEDMO C[N@@H+](CCOc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596984376 1040618437 /nfs/dbraw/zinc/61/84/37/1040618437.db2.gz NTQGTHTTWMECDS-UHFFFAOYSA-N 1 1 306.409 3.753 20 30 DHEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H](CCO)c1ccccc1 ZINC000597009498 1040625060 /nfs/dbraw/zinc/62/50/60/1040625060.db2.gz SJKLXIOSGGKARJ-FQEVSTJZSA-N 1 1 320.436 3.797 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1n1ccnc1 ZINC000597028199 1040629981 /nfs/dbraw/zinc/62/99/81/1040629981.db2.gz VBJUMLRNZPTOTA-VQIMIIECSA-N 1 1 320.440 3.521 20 30 DHEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCS1 ZINC000597025520 1040631335 /nfs/dbraw/zinc/63/13/35/1040631335.db2.gz BSLBHGJLFVTHEC-KRWDZBQOSA-N 1 1 300.471 3.815 20 30 DHEDMO COc1cccc2c1CC[N@@H+](Cc1ccc(C3(C#N)CC3)cc1)C2 ZINC000597082759 1040648042 /nfs/dbraw/zinc/64/80/42/1040648042.db2.gz PRXKJJOASAZCAD-UHFFFAOYSA-N 1 1 318.420 3.809 20 30 DHEDMO C[C@@H](C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1)c1nccs1 ZINC000597080496 1040648603 /nfs/dbraw/zinc/64/86/03/1040648603.db2.gz OHIMBZZQGPMIPS-AWEZNQCLSA-N 1 1 311.454 3.934 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H](C[C@H]4CCOC4)C3)cc2)CC1 ZINC000597133860 1040661623 /nfs/dbraw/zinc/66/16/23/1040661623.db2.gz WQKGNGMCLIWZQI-RBUKOAKNSA-N 1 1 324.468 3.880 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H]3[C@@H]3CCCOC3)cc2)CC1 ZINC000597154030 1040667658 /nfs/dbraw/zinc/66/76/58/1040667658.db2.gz LCTONXBZPRGUBJ-MJGOQNOKSA-N 1 1 310.441 3.633 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC2(CCCC2)O1 ZINC000597156223 1040669618 /nfs/dbraw/zinc/66/96/18/1040669618.db2.gz LNSFPEBIPYJUFG-INIZCTEOSA-N 1 1 310.441 3.775 20 30 DHEDMO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C3(C#N)CC3)cc1)C2 ZINC000597159242 1040669844 /nfs/dbraw/zinc/66/98/44/1040669844.db2.gz ZVGYEDHBYWLUMJ-UHFFFAOYSA-N 1 1 304.393 3.766 20 30 DHEDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(C3(C#N)CC3)cc1)C2 ZINC000597159242 1040669851 /nfs/dbraw/zinc/66/98/51/1040669851.db2.gz ZVGYEDHBYWLUMJ-UHFFFAOYSA-N 1 1 304.393 3.766 20 30 DHEDMO COCc1csc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000597157122 1040671019 /nfs/dbraw/zinc/67/10/19/1040671019.db2.gz FBGUTOKODUWRJO-ZDUSSCGKSA-N 1 1 300.427 3.959 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(-c2ccnn2C)c1 ZINC000597175442 1040675568 /nfs/dbraw/zinc/67/55/68/1040675568.db2.gz AZAYJHSUMFPWGI-MRXNPFEDSA-N 1 1 308.429 3.521 20 30 DHEDMO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1[N+](=O)[O-] ZINC000597175380 1040676712 /nfs/dbraw/zinc/67/67/12/1040676712.db2.gz YOUMKNSJURGOOA-AWEZNQCLSA-N 1 1 301.390 3.844 20 30 DHEDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1[N+](=O)[O-] ZINC000597175380 1040676722 /nfs/dbraw/zinc/67/67/22/1040676722.db2.gz YOUMKNSJURGOOA-AWEZNQCLSA-N 1 1 301.390 3.844 20 30 DHEDMO N#CCC1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000597194637 1040676779 /nfs/dbraw/zinc/67/67/79/1040676779.db2.gz UUNXOAXYEWEODR-UHFFFAOYSA-N 1 1 313.382 3.669 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2C[C@@H](C)CCC#N)cc1OC ZINC000602436499 1041031034 /nfs/dbraw/zinc/03/10/34/1041031034.db2.gz OWHVYQQSAWZDMI-GOEBONIOSA-N 1 1 302.418 3.781 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)[C@H](c1nccn1C)C1CC1 ZINC000602438498 1041031540 /nfs/dbraw/zinc/03/15/40/1041031540.db2.gz DHAVIBGSBRGOMJ-SFHVURJKSA-N 1 1 308.429 3.653 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000602445328 1041037663 /nfs/dbraw/zinc/03/76/63/1041037663.db2.gz PVXMICJWRWGFAM-SNVBAGLBSA-N 1 1 301.253 3.882 20 30 DHEDMO CC[N@@H+](Cc1c2c(nn1C)CCCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000602443145 1041037923 /nfs/dbraw/zinc/03/79/23/1041037923.db2.gz GIONURBMFPUZJD-HNNXBMFYSA-N 1 1 322.456 3.754 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000602463151 1041047544 /nfs/dbraw/zinc/04/75/44/1041047544.db2.gz RPVPJWPPJMHTPB-CZUORRHYSA-N 1 1 324.371 3.601 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1CCSCC1 ZINC000602485088 1041053632 /nfs/dbraw/zinc/05/36/32/1041053632.db2.gz PRSUFANFEJXOQD-ZWKOTPCHSA-N 1 1 300.471 3.901 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000602487006 1041057779 /nfs/dbraw/zinc/05/77/79/1041057779.db2.gz YBDROOCHIIGZAF-MJGOQNOKSA-N 1 1 300.446 3.650 20 30 DHEDMO COc1ccc2oc([C@@H](C)[NH2+]Cc3cccc(C#N)n3)c(C)c2c1 ZINC000602537316 1041091579 /nfs/dbraw/zinc/09/15/79/1041091579.db2.gz DFTIZPUVNBBZKE-CYBMUJFWSA-N 1 1 321.380 3.867 20 30 DHEDMO COc1ccc2oc([C@H](C)[NH2+]Cc3cccc(C#N)n3)c(C)c2c1 ZINC000602537321 1041094119 /nfs/dbraw/zinc/09/41/19/1041094119.db2.gz DFTIZPUVNBBZKE-ZDUSSCGKSA-N 1 1 321.380 3.867 20 30 DHEDMO Cc1ccc(C[NH2+]Cc2cccc(C#N)n2)c(OC(C)(C)C)c1 ZINC000602571615 1041102067 /nfs/dbraw/zinc/10/20/67/1041102067.db2.gz WOIYMHOVYNXWIJ-UHFFFAOYSA-N 1 1 309.413 3.729 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000602648116 1041132813 /nfs/dbraw/zinc/13/28/13/1041132813.db2.gz LNWBJLGAEGHGEC-LBPRGKRZSA-N 1 1 323.234 3.583 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCOc2c(Br)cccc2C1 ZINC000602648116 1041132818 /nfs/dbraw/zinc/13/28/18/1041132818.db2.gz LNWBJLGAEGHGEC-LBPRGKRZSA-N 1 1 323.234 3.583 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)N(C)[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000602692902 1041155350 /nfs/dbraw/zinc/15/53/50/1041155350.db2.gz OCQYWSKGXYZRDS-KDOFPFPSSA-N 1 1 323.444 3.991 20 30 DHEDMO COc1ccc2c(c1)OC(C)(C)C[N@H+](C[C@@H](C)CCC#N)C2 ZINC000602700717 1041164253 /nfs/dbraw/zinc/16/42/53/1041164253.db2.gz WRXIOZVLQYSYHG-AWEZNQCLSA-N 1 1 302.418 3.608 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000602707900 1041170493 /nfs/dbraw/zinc/17/04/93/1041170493.db2.gz VXQMSXZPBLNKAM-GFCCVEGCSA-N 1 1 301.340 3.639 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000602707900 1041170501 /nfs/dbraw/zinc/17/05/01/1041170501.db2.gz VXQMSXZPBLNKAM-GFCCVEGCSA-N 1 1 301.340 3.639 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@H](O)C[C@H]2c2ccccc2)ccc1C#N ZINC000602732233 1041185015 /nfs/dbraw/zinc/18/50/15/1041185015.db2.gz QXIDRZLUFXBNQM-PMACEKPBSA-N 1 1 306.409 3.565 20 30 DHEDMO CC[C@@H](C)[N@H+](Cc1nc2ccccc2c(=O)[nH]1)CC1(CC#N)CC1 ZINC000602795713 1041219277 /nfs/dbraw/zinc/21/92/77/1041219277.db2.gz VCEMLGZKVOBVPX-CQSZACIVSA-N 1 1 324.428 3.630 20 30 DHEDMO CC[C@@H](C)[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)CC1(CC#N)CC1 ZINC000602795713 1041219293 /nfs/dbraw/zinc/21/92/93/1041219293.db2.gz VCEMLGZKVOBVPX-CQSZACIVSA-N 1 1 324.428 3.630 20 30 DHEDMO C[N@@H+](CC1(CC#N)CC1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000602808604 1041232069 /nfs/dbraw/zinc/23/20/69/1041232069.db2.gz MPQMXTRGQGEDHW-IRXDYDNUSA-N 1 1 302.393 3.671 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)cc1Cl ZINC001232112136 1041258214 /nfs/dbraw/zinc/25/82/14/1041258214.db2.gz PLNNFAFTKVESFZ-ZDUSSCGKSA-N 1 1 320.717 3.936 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)cc1Cl ZINC001232112136 1041258275 /nfs/dbraw/zinc/25/82/75/1041258275.db2.gz PLNNFAFTKVESFZ-ZDUSSCGKSA-N 1 1 320.717 3.936 20 30 DHEDMO CC1=Nc2ccccc2C12CC[NH+](Cc1nc(C#N)cs1)CC2 ZINC000602860878 1041263074 /nfs/dbraw/zinc/26/30/74/1041263074.db2.gz IJRNGGHVTXMLBT-UHFFFAOYSA-N 1 1 322.437 3.655 20 30 DHEDMO N#CCCCC[N@@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000602923527 1041316290 /nfs/dbraw/zinc/31/62/90/1041316290.db2.gz XFZZPKUKWCJYPA-HXUWFJFHSA-N 1 1 308.425 3.916 20 30 DHEDMO N#CCC1(C[N@H+](Cc2ccccc2)[C@@H](CO)c2ccccc2)CC1 ZINC000602918209 1041317386 /nfs/dbraw/zinc/31/73/86/1041317386.db2.gz MUUTUKVBYZGIHB-FQEVSTJZSA-N 1 1 320.436 3.916 20 30 DHEDMO C[N@H+](Cc1cccc(OCc2ccccn2)c1)[C@@H]1CCC[C@H]1C#N ZINC000602982613 1041329542 /nfs/dbraw/zinc/32/95/42/1041329542.db2.gz VKCYFLIYHJYSLC-FXAWDEMLSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@@H+](Cc1cccc(OCc2ccccn2)c1)[C@@H]1CCC[C@H]1C#N ZINC000602982613 1041329556 /nfs/dbraw/zinc/32/95/56/1041329556.db2.gz VKCYFLIYHJYSLC-FXAWDEMLSA-N 1 1 321.424 3.785 20 30 DHEDMO N#CC1(CCC[N@H+]2CCC[C@H](C3CCC3)CC2)CCOCC1 ZINC000603000031 1041337957 /nfs/dbraw/zinc/33/79/57/1041337957.db2.gz RYDKVJXDPLWRES-SFHVURJKSA-N 1 1 304.478 3.989 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000598584689 1041348538 /nfs/dbraw/zinc/34/85/38/1041348538.db2.gz RYKJOIGXKKJEJX-CQSZACIVSA-N 1 1 318.442 3.644 20 30 DHEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598592559 1041352516 /nfs/dbraw/zinc/35/25/16/1041352516.db2.gz MFKIWPSROQFZAI-CZUORRHYSA-N 1 1 308.853 3.504 20 30 DHEDMO C[C@]1(C2CCCCC2)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000603028315 1041354520 /nfs/dbraw/zinc/35/45/20/1041354520.db2.gz DETBYMFLNQZDBM-QGZVFWFLSA-N 1 1 317.458 3.603 20 30 DHEDMO C[C@]1(C2CCCCC2)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000603028315 1041354527 /nfs/dbraw/zinc/35/45/27/1041354527.db2.gz DETBYMFLNQZDBM-QGZVFWFLSA-N 1 1 317.458 3.603 20 30 DHEDMO Cc1cccc(C)c1[C@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598624774 1041365134 /nfs/dbraw/zinc/36/51/34/1041365134.db2.gz HCLPWRMXERSQOR-DLBZAZTESA-N 1 1 300.446 3.741 20 30 DHEDMO CC[C@@H](C[N@@H+](CC)C[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598609206 1041368693 /nfs/dbraw/zinc/36/86/93/1041368693.db2.gz RYUUAAAQGQSNQH-FUHWJXTLSA-N 1 1 302.462 3.803 20 30 DHEDMO C=C(C)C[N@@H+](CC)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000135096660 335019428 /nfs/dbraw/zinc/01/94/28/335019428.db2.gz BCAFVEYMBSNSFD-UHFFFAOYSA-N 1 1 311.307 3.552 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000135096660 335019430 /nfs/dbraw/zinc/01/94/30/335019430.db2.gz BCAFVEYMBSNSFD-UHFFFAOYSA-N 1 1 311.307 3.552 20 30 DHEDMO C#CCOc1ccccc1C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000286063675 335031877 /nfs/dbraw/zinc/03/18/77/335031877.db2.gz KUGWYWMUHVUWSO-LJQANCHMSA-N 1 1 323.440 3.833 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425543068 335036211 /nfs/dbraw/zinc/03/62/11/335036211.db2.gz AUKYIGVUSPLBCF-KRWDZBQOSA-N 1 1 304.478 3.988 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)ncc2F)cc1 ZINC000287190962 335041610 /nfs/dbraw/zinc/04/16/10/335041610.db2.gz VVVUEZGLADZBLE-ZDUSSCGKSA-N 1 1 316.376 3.645 20 30 DHEDMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000106054096 194183385 /nfs/dbraw/zinc/18/33/85/194183385.db2.gz UAACZQQDSNMTRQ-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000106054096 194183388 /nfs/dbraw/zinc/18/33/88/194183388.db2.gz UAACZQQDSNMTRQ-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000106054094 194183448 /nfs/dbraw/zinc/18/34/48/194183448.db2.gz UAACZQQDSNMTRQ-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000106054094 194183451 /nfs/dbraw/zinc/18/34/51/194183451.db2.gz UAACZQQDSNMTRQ-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO C=CC[N@H+](CCCOCC(F)(F)F)Cc1cccc(C#N)c1 ZINC000063388166 335049611 /nfs/dbraw/zinc/04/96/11/335049611.db2.gz ZQCWBJLWLRRLPS-UHFFFAOYSA-N 1 1 312.335 3.515 20 30 DHEDMO C#Cc1ccc(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)cc1 ZINC000289355821 335058309 /nfs/dbraw/zinc/05/83/09/335058309.db2.gz YBMXSWVGBXPBFV-IVZQSRNASA-N 1 1 311.450 3.598 20 30 DHEDMO C[C@H](Nc1snc(Cl)c1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273041869 130085726 /nfs/dbraw/zinc/08/57/26/130085726.db2.gz WHROXAXVFKNNNE-WDEREUQCSA-N 1 1 324.881 3.733 20 30 DHEDMO COc1ccc([C@H](C[NH+](C)C)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000284363322 131074237 /nfs/dbraw/zinc/07/42/37/131074237.db2.gz NFFQAUSENFKIET-QRWLVFNGSA-N 1 1 323.440 3.520 20 30 DHEDMO COc1ccc([C@@H](C[NH+](C)C)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000284454513 131082184 /nfs/dbraw/zinc/08/21/84/131082184.db2.gz UPSOBKNLBVXQKX-FOIQADDNSA-N 1 1 323.440 3.520 20 30 DHEDMO C[C@@]12CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]1C2(Cl)Cl ZINC000284804636 131112463 /nfs/dbraw/zinc/11/24/63/131112463.db2.gz OWUIBGYGDDBJAL-UONOGXRCSA-N 1 1 313.203 3.713 20 30 DHEDMO C[C@@]12CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]1C2(Cl)Cl ZINC000284804636 131112464 /nfs/dbraw/zinc/11/24/64/131112464.db2.gz OWUIBGYGDDBJAL-UONOGXRCSA-N 1 1 313.203 3.713 20 30 DHEDMO Cc1nsc(NC[C@H](c2ccco2)[NH+]2CCCCC2)c1C#N ZINC000285561944 131181025 /nfs/dbraw/zinc/18/10/25/131181025.db2.gz JGXQGAHSZZYMHZ-CQSZACIVSA-N 1 1 316.430 3.555 20 30 DHEDMO C[N@H+]1CC[C@H](Nc2nc(Cl)c(C#N)s2)[C@H]1c1ccccc1 ZINC000286562472 131241430 /nfs/dbraw/zinc/24/14/30/131241430.db2.gz QYYSLAQKPGJORX-WCQYABFASA-N 1 1 318.833 3.525 20 30 DHEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000289583916 131397965 /nfs/dbraw/zinc/39/79/65/131397965.db2.gz ZFBVLEFCCDIMSW-VQTJNVASSA-N 1 1 324.424 3.683 20 30 DHEDMO CCC[N@@H+](C)C[C@H]1CCN(c2nc3ccccc3c(C)c2C#N)C1 ZINC000297187661 132003330 /nfs/dbraw/zinc/00/33/30/132003330.db2.gz QLNUWVNLDZFFGC-MRXNPFEDSA-N 1 1 322.456 3.583 20 30 DHEDMO Cc1[nH+]ccn1CCCN(C)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000120209235 132143142 /nfs/dbraw/zinc/14/31/42/132143142.db2.gz RLARYZPIXGZNNU-UHFFFAOYSA-N 1 1 322.334 3.609 20 30 DHEDMO COCc1cccc(OCC2(C[N@H+](C)[C@H](C)CC#N)CCC2)c1 ZINC000343315444 335066879 /nfs/dbraw/zinc/06/68/79/335066879.db2.gz QGWQWGYXQCEGKH-MRXNPFEDSA-N 1 1 316.445 3.616 20 30 DHEDMO COCc1cccc(OCC2(C[N@@H+](C)[C@H](C)CC#N)CCC2)c1 ZINC000343315444 335066881 /nfs/dbraw/zinc/06/68/81/335066881.db2.gz QGWQWGYXQCEGKH-MRXNPFEDSA-N 1 1 316.445 3.616 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1cc(C#N)c2ccccc2n1 ZINC000320564227 335083693 /nfs/dbraw/zinc/08/36/93/335083693.db2.gz KVRHRVYHWFRORO-OAHLLOKOSA-N 1 1 308.429 3.783 20 30 DHEDMO COc1cc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)ccc1OC(C)C ZINC000030533485 331852200 /nfs/dbraw/zinc/85/22/00/331852200.db2.gz YPAUKJRXTGZEHF-LSDHHAIUSA-N 1 1 315.417 3.577 20 30 DHEDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000127222967 332000408 /nfs/dbraw/zinc/00/04/08/332000408.db2.gz AQDLDRGESDDBRC-GFCCVEGCSA-N 1 1 311.360 3.507 20 30 DHEDMO C=CC[C@H](CC)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000410138461 332093178 /nfs/dbraw/zinc/09/31/78/332093178.db2.gz RKOZYXSWTWZADP-WMZOPIPTSA-N 1 1 318.436 3.509 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+](CCC)[C@H](CC)c2ccccc2)C1=O ZINC000410337358 332114014 /nfs/dbraw/zinc/11/40/14/332114014.db2.gz AMVVVWTWVPTIDE-QZTJIDSGSA-N 1 1 300.446 3.637 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)cc1OC ZINC000092504210 332131100 /nfs/dbraw/zinc/13/11/00/332131100.db2.gz YQSKYEBUYSAXDU-UHFFFAOYSA-N 1 1 322.408 3.764 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)cc1OC ZINC000092504210 332131101 /nfs/dbraw/zinc/13/11/01/332131101.db2.gz YQSKYEBUYSAXDU-UHFFFAOYSA-N 1 1 322.408 3.764 20 30 DHEDMO COCC[N@@H+](CCCc1ccccc1)Cc1cc(C#N)cs1 ZINC000092541837 332133065 /nfs/dbraw/zinc/13/30/65/332133065.db2.gz PWIQHXVNEVUQBS-UHFFFAOYSA-N 1 1 314.454 3.701 20 30 DHEDMO N#CCC[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)CC1CC1 ZINC000093091470 332133932 /nfs/dbraw/zinc/13/39/32/332133932.db2.gz SYESJQFPKYZMHT-UHFFFAOYSA-N 1 1 314.820 3.856 20 30 DHEDMO N#CCC[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)CC1CC1 ZINC000093091470 332133933 /nfs/dbraw/zinc/13/39/33/332133933.db2.gz SYESJQFPKYZMHT-UHFFFAOYSA-N 1 1 314.820 3.856 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000569562363 332138643 /nfs/dbraw/zinc/13/86/43/332138643.db2.gz JOOBVRVSKMNUHI-CQSZACIVSA-N 1 1 324.359 3.546 20 30 DHEDMO C=C(C)C[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000181260954 332188769 /nfs/dbraw/zinc/18/87/69/332188769.db2.gz KWLLRFLDXWEFAW-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000181288457 332189868 /nfs/dbraw/zinc/18/98/68/332189868.db2.gz RZAHUNLAFTXZIH-JTQLQIEISA-N 1 1 301.217 3.828 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000181288457 332189870 /nfs/dbraw/zinc/18/98/70/332189870.db2.gz RZAHUNLAFTXZIH-JTQLQIEISA-N 1 1 301.217 3.828 20 30 DHEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000181326252 332190325 /nfs/dbraw/zinc/19/03/25/332190325.db2.gz KDCVPJRQXFRBGT-UHFFFAOYSA-N 1 1 308.425 3.724 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000181326252 332190327 /nfs/dbraw/zinc/19/03/27/332190327.db2.gz KDCVPJRQXFRBGT-UHFFFAOYSA-N 1 1 308.425 3.724 20 30 DHEDMO C[C@H]1C[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)C[N@H+]1C1CC1 ZINC000317815574 332200413 /nfs/dbraw/zinc/20/04/13/332200413.db2.gz YGIZZFJPZVTPJJ-CMPLNLGQSA-N 1 1 309.335 3.614 20 30 DHEDMO CO[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000363684221 332220615 /nfs/dbraw/zinc/22/06/15/332220615.db2.gz GDWXNCQHNAINHU-MRXNPFEDSA-N 1 1 311.347 3.558 20 30 DHEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CCCCC#N ZINC000102397937 332225475 /nfs/dbraw/zinc/22/54/75/332225475.db2.gz QIVXFMCOAKTISI-UHFFFAOYSA-N 1 1 310.445 3.923 20 30 DHEDMO CCCC(N)=[NH+]OCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000105605269 332252944 /nfs/dbraw/zinc/25/29/44/332252944.db2.gz XKGBLDVBFLXKIB-UHFFFAOYSA-N 1 1 319.449 3.961 20 30 DHEDMO N#CCCCC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000152683596 332319256 /nfs/dbraw/zinc/31/92/56/332319256.db2.gz WHVRGKHQFBYDRU-AWEZNQCLSA-N 1 1 303.475 3.895 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc([S@](C)=O)cc1 ZINC000119946235 332327050 /nfs/dbraw/zinc/32/70/50/332327050.db2.gz QHCCTHNZNCRPAL-HXUWFJFHSA-N 1 1 305.468 3.674 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc([S@](C)=O)cc1 ZINC000119946235 332327051 /nfs/dbraw/zinc/32/70/51/332327051.db2.gz QHCCTHNZNCRPAL-HXUWFJFHSA-N 1 1 305.468 3.674 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000152983789 332332285 /nfs/dbraw/zinc/33/22/85/332332285.db2.gz FSGSOQPRGNOOEM-HNNXBMFYSA-N 1 1 317.433 3.594 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000152988817 332332301 /nfs/dbraw/zinc/33/23/01/332332301.db2.gz OIYNUABIGMGJEG-LBPRGKRZSA-N 1 1 312.379 3.795 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H]2CCCc3nc(CC)sc32)CC1 ZINC000152996193 332333687 /nfs/dbraw/zinc/33/36/87/332333687.db2.gz YCTITYXATZNCKS-OAHLLOKOSA-N 1 1 319.518 3.713 20 30 DHEDMO C=C(C)CNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000156585095 332472341 /nfs/dbraw/zinc/47/23/41/332472341.db2.gz HJXMVQMZWCDRGV-UHFFFAOYSA-N 1 1 312.417 3.752 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C1CC1 ZINC000170984132 333043529 /nfs/dbraw/zinc/04/35/29/333043529.db2.gz CNWSBDJOBPHQIN-ZDUSSCGKSA-N 1 1 317.458 3.504 20 30 DHEDMO C[N@@H+](CCCC(C)(C)C#N)CC(=O)Nc1cccc(Cl)c1 ZINC000174819515 333091272 /nfs/dbraw/zinc/09/12/72/333091272.db2.gz CSBVRIYKIQHGDH-UHFFFAOYSA-N 1 1 307.825 3.540 20 30 DHEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCC(C)(C)C#N ZINC000175399242 333098511 /nfs/dbraw/zinc/09/85/11/333098511.db2.gz BHOKVFRZTPOMBE-SZNDQCEHSA-N 1 1 306.475 3.747 20 30 DHEDMO CCC[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)C1CC1 ZINC000180098675 333158419 /nfs/dbraw/zinc/15/84/19/333158419.db2.gz QWDAFDNPKLAFMB-UHFFFAOYSA-N 1 1 302.418 3.752 20 30 DHEDMO COC[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1ccc(C)o1 ZINC000181847865 333172932 /nfs/dbraw/zinc/17/29/32/333172932.db2.gz OUOOWISXMSBDOG-YOEHRIQHSA-N 1 1 314.385 3.529 20 30 DHEDMO COC[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccc(C)o1 ZINC000184765677 333201286 /nfs/dbraw/zinc/20/12/86/333201286.db2.gz DPHYZWCWNHOCCE-KRWDZBQOSA-N 1 1 312.413 3.867 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](CN[C@@H](C)c1cc(C)ccn1)C(C)C ZINC000517046498 333215952 /nfs/dbraw/zinc/21/59/52/333215952.db2.gz ZRLSXTGKDAFFQP-PKOBYXMFSA-N 1 1 301.478 3.739 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000497202125 333220593 /nfs/dbraw/zinc/22/05/93/333220593.db2.gz YKUWQFWIJPDIHO-UHFFFAOYSA-N 1 1 316.357 3.871 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000364061159 333229583 /nfs/dbraw/zinc/22/95/83/333229583.db2.gz BLPXKKJFMAXSPE-YQVWRLOYSA-N 1 1 314.473 3.616 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](c1ccccc1)C(C)C ZINC000497424311 333249729 /nfs/dbraw/zinc/24/97/29/333249729.db2.gz BROBJSVYEXVJLZ-IBGZPJMESA-N 1 1 302.462 3.740 20 30 DHEDMO C=CCCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000364579417 333325486 /nfs/dbraw/zinc/32/54/86/333325486.db2.gz WJZFEOAZFMNVBK-DFNIBXOVSA-N 1 1 312.457 3.607 20 30 DHEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000188448594 333367168 /nfs/dbraw/zinc/36/71/68/333367168.db2.gz LINANXOFZYVTBS-UWWQBHOKSA-N 1 1 320.502 3.850 20 30 DHEDMO C=C[C@](C)(CC)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000188478823 333367999 /nfs/dbraw/zinc/36/79/99/333367999.db2.gz SMSPOEJVEAJYJV-QFBILLFUSA-N 1 1 302.462 3.616 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000185724917 335147243 /nfs/dbraw/zinc/14/72/43/335147243.db2.gz NIFIXVBCNORNNP-PKOBYXMFSA-N 1 1 314.473 3.569 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000185704459 335148741 /nfs/dbraw/zinc/14/87/41/335148741.db2.gz ZXFOFQCQWWUSOQ-HZPDHXFCSA-N 1 1 316.445 3.621 20 30 DHEDMO N#CC1(C[NH2+][C@H]2CCOc3c(Br)cccc32)CCC1 ZINC000450924878 333693572 /nfs/dbraw/zinc/69/35/72/333693572.db2.gz HCMXQABKWLNRCG-ZDUSSCGKSA-N 1 1 321.218 3.556 20 30 DHEDMO C=CCCC[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000186343436 335157322 /nfs/dbraw/zinc/15/73/22/335157322.db2.gz SBJNRMZLPOIJIM-UHFFFAOYSA-N 1 1 304.825 3.534 20 30 DHEDMO C=CCCC[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000186343436 335157323 /nfs/dbraw/zinc/15/73/23/335157323.db2.gz SBJNRMZLPOIJIM-UHFFFAOYSA-N 1 1 304.825 3.534 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@H](C)c1cn(C)nc1C)c1ccc(F)c(F)c1 ZINC000186447565 335158135 /nfs/dbraw/zinc/15/81/35/335158135.db2.gz JBMSEVSRBHAKRG-PIGZYNQJSA-N 1 1 305.372 3.975 20 30 DHEDMO C[C@H](c1cccc(NCC(C)(C)CCC#N)c1)[NH+]1CCOCC1 ZINC000269315892 334000173 /nfs/dbraw/zinc/00/01/73/334000173.db2.gz MABMZFBVEUROOH-MRXNPFEDSA-N 1 1 315.461 3.822 20 30 DHEDMO CC1(C#N)CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000272509149 334036241 /nfs/dbraw/zinc/03/62/41/334036241.db2.gz IQVQETHIYMCMSK-UHFFFAOYSA-N 1 1 314.820 3.651 20 30 DHEDMO C[N@@H+](CCCSCC#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273425258 334046747 /nfs/dbraw/zinc/04/67/47/334046747.db2.gz KOHCZQFCBHAFDT-DLBZAZTESA-N 1 1 322.449 3.624 20 30 DHEDMO C[C@H](c1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1)[NH+]1CCOCC1 ZINC000274236001 334057686 /nfs/dbraw/zinc/05/76/86/334057686.db2.gz ULWRVMDXVJBIAB-NUJGCVRESA-N 1 1 313.445 3.574 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)CC(=O)Nc1cccc(Cl)c1 ZINC000277549234 334089003 /nfs/dbraw/zinc/08/90/03/334089003.db2.gz BXBPZACDJFIOOJ-UHFFFAOYSA-N 1 1 321.852 3.930 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000278609888 334098731 /nfs/dbraw/zinc/09/87/31/334098731.db2.gz FHYMIPIRVASNDT-GOSISDBHSA-N 1 1 300.446 3.650 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000278797515 334101160 /nfs/dbraw/zinc/10/11/60/334101160.db2.gz QXPDQFVDIWSTKJ-OJAHFUOMSA-N 1 1 311.473 3.569 20 30 DHEDMO Cc1ccnc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1C#N ZINC000343512812 335173103 /nfs/dbraw/zinc/17/31/03/335173103.db2.gz OLULSAKCGUKDCJ-NVXWUHKLSA-N 1 1 306.413 3.509 20 30 DHEDMO N#CCc1ccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000343616464 335181760 /nfs/dbraw/zinc/18/17/60/335181760.db2.gz RIBVQKKKZQTJPS-OAQYLSRUSA-N 1 1 320.436 3.625 20 30 DHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)CC1(c2ccccc2)CC1 ZINC000281215215 334124064 /nfs/dbraw/zinc/12/40/64/334124064.db2.gz DKMJUJZCMDBXJZ-UHFFFAOYSA-N 1 1 312.457 3.751 20 30 DHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCc2ccccc2C1 ZINC000281907984 334129532 /nfs/dbraw/zinc/12/95/32/334129532.db2.gz GGLLYLRMQHQNBN-LJQANCHMSA-N 1 1 312.457 3.576 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000281983303 334130144 /nfs/dbraw/zinc/13/01/44/334130144.db2.gz MCNQOSZBIAGWKD-MJGOQNOKSA-N 1 1 312.457 3.965 20 30 DHEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000282115410 334131362 /nfs/dbraw/zinc/13/13/62/334131362.db2.gz XIKMODPSMFANBM-HNNXBMFYSA-N 1 1 304.409 3.919 20 30 DHEDMO COc1ccc(C[N@@H+](CCCCC#N)CC2CC2)c(OC)c1 ZINC000282915972 334138268 /nfs/dbraw/zinc/13/82/68/334138268.db2.gz XQINQYRNXWIQLK-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000343585487 335179686 /nfs/dbraw/zinc/17/96/86/335179686.db2.gz UMQFWIPNVMUSCV-OXJNMPFZSA-N 1 1 306.409 3.715 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000343585487 335179687 /nfs/dbraw/zinc/17/96/87/335179687.db2.gz UMQFWIPNVMUSCV-OXJNMPFZSA-N 1 1 306.409 3.715 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)s1 ZINC000289800375 334167902 /nfs/dbraw/zinc/16/79/02/334167902.db2.gz SJWFMIAEEVKWET-CEXWTWQISA-N 1 1 324.449 3.624 20 30 DHEDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H]1CC[C@H](C#N)C1 ZINC000292705506 334191213 /nfs/dbraw/zinc/19/12/13/334191213.db2.gz DOCJZAJZGPWUMM-FZMZJTMJSA-N 1 1 323.234 3.669 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@](C)(COC)C2)ccc1OC ZINC000295186366 334220307 /nfs/dbraw/zinc/22/03/07/334220307.db2.gz WRCJAWJEFOSHRA-IBGZPJMESA-N 1 1 319.445 3.509 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298189790 334247076 /nfs/dbraw/zinc/24/70/76/334247076.db2.gz BDHXVWDFEWQQLB-DOTOQJQBSA-N 1 1 304.384 3.965 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2cccc3ccccc32)C1=O ZINC000531949941 334303835 /nfs/dbraw/zinc/30/38/35/334303835.db2.gz VVTCTXAHLBWEMW-HNAYVOBHSA-N 1 1 308.425 3.620 20 30 DHEDMO N#Cc1ccc(CN2CCC[N@@H+](CCC3CCCC3)CC2)cc1 ZINC000303888046 334340472 /nfs/dbraw/zinc/34/04/72/334340472.db2.gz JWKRJACFZCHYJD-UHFFFAOYSA-N 1 1 311.473 3.646 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000121108173 334340896 /nfs/dbraw/zinc/34/08/96/334340896.db2.gz NOVXLROJSARBRK-INIZCTEOSA-N 1 1 315.461 3.512 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000121066679 334341346 /nfs/dbraw/zinc/34/13/46/334341346.db2.gz KKWOTWYJIZMMTL-GFCCVEGCSA-N 1 1 316.361 3.604 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000340868379 334391746 /nfs/dbraw/zinc/39/17/46/334391746.db2.gz AUPMBZSEEVXBHD-OAHLLOKOSA-N 1 1 310.372 3.695 20 30 DHEDMO C=C1CC[NH+]([C@H](C)C(=O)N[C@@H](CCC)c2ccccc2)CC1 ZINC000341986489 334503155 /nfs/dbraw/zinc/50/31/55/334503155.db2.gz VVAJNOXOUNUGRK-AEFFLSMTSA-N 1 1 300.446 3.685 20 30 DHEDMO C=CCC[C@H]([NH2+]Cc1cn(C)nn1)c1ccc(C(F)(F)F)cc1 ZINC000342202221 334520887 /nfs/dbraw/zinc/52/08/87/334520887.db2.gz ACTOQCDEFOKXIG-HNNXBMFYSA-N 1 1 324.350 3.631 20 30 DHEDMO C[N@@H+](CCCOCc1ccccc1)Cc1cc(C#N)cs1 ZINC000343658756 335185800 /nfs/dbraw/zinc/18/58/00/335185800.db2.gz NIPKGHGYVQHGLO-UHFFFAOYSA-N 1 1 300.427 3.658 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1cncc(OC)c1)c1ccc(F)c(F)c1 ZINC000343872176 335199043 /nfs/dbraw/zinc/19/90/43/335199043.db2.gz YOMUZILHIGFEGL-QGZVFWFLSA-N 1 1 304.340 3.775 20 30 DHEDMO CCOc1ccccc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344122572 335219365 /nfs/dbraw/zinc/21/93/65/335219365.db2.gz UCLOIERKAAVCBH-UHFFFAOYSA-N 1 1 324.424 3.606 20 30 DHEDMO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2nc3ccccc3s2)CC1 ZINC000348178511 335560495 /nfs/dbraw/zinc/56/04/95/335560495.db2.gz DZTZHUFESJZWFS-LBPRGKRZSA-N 1 1 315.442 3.521 20 30 DHEDMO Cn1cc(C[NH+]2CCC(=Cc3cccc(F)c3)CC2)cc1C#N ZINC000349063140 335631355 /nfs/dbraw/zinc/63/13/55/335631355.db2.gz PJMZLFCVKJSYST-UHFFFAOYSA-N 1 1 309.388 3.715 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000191694730 335829812 /nfs/dbraw/zinc/82/98/12/335829812.db2.gz FJTZOJPNBJJUBF-ZETCQYMHSA-N 1 1 307.644 3.946 20 30 DHEDMO C[C@H](CNC(=O)c1coc(C2CCCC2)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000329956953 336099598 /nfs/dbraw/zinc/09/95/98/336099598.db2.gz LOOOJVBVTHXKMV-ZIAGYGMSSA-N 1 1 319.449 3.757 20 30 DHEDMO C[C@]1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCC[C@H]1O ZINC000329991725 336103424 /nfs/dbraw/zinc/10/34/24/336103424.db2.gz AECAHJXACXGQSZ-SZVBFZGTSA-N 1 1 322.493 3.539 20 30 DHEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332622444 336176778 /nfs/dbraw/zinc/17/67/78/336176778.db2.gz COXKZNUZJIMOLJ-CJNGLKHVSA-N 1 1 310.401 3.619 20 30 DHEDMO C[C@@H]([NH2+]CCCN(C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000192919265 336197074 /nfs/dbraw/zinc/19/70/74/336197074.db2.gz PCEXGICGJPNMOD-QGZVFWFLSA-N 1 1 307.441 3.731 20 30 DHEDMO C[C@@H](NCCC[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000192919265 336197075 /nfs/dbraw/zinc/19/70/75/336197075.db2.gz PCEXGICGJPNMOD-QGZVFWFLSA-N 1 1 307.441 3.731 20 30 DHEDMO C[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000192919265 336197076 /nfs/dbraw/zinc/19/70/76/336197076.db2.gz PCEXGICGJPNMOD-QGZVFWFLSA-N 1 1 307.441 3.731 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000352433380 336218312 /nfs/dbraw/zinc/21/83/12/336218312.db2.gz VASKSMIVWIYALD-SJORKVTESA-N 1 1 316.832 3.745 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000352433380 336218313 /nfs/dbraw/zinc/21/83/13/336218313.db2.gz VASKSMIVWIYALD-SJORKVTESA-N 1 1 316.832 3.745 20 30 DHEDMO CC[N@H+](CC(=O)Nc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741556 336242503 /nfs/dbraw/zinc/24/25/03/336242503.db2.gz RBOPXBYITJLISO-HNNXBMFYSA-N 1 1 307.397 3.580 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741556 336242504 /nfs/dbraw/zinc/24/25/04/336242504.db2.gz RBOPXBYITJLISO-HNNXBMFYSA-N 1 1 307.397 3.580 20 30 DHEDMO CC(C)COc1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352808682 336243680 /nfs/dbraw/zinc/24/36/80/336243680.db2.gz CSSMWQSKACZMIU-CYBMUJFWSA-N 1 1 315.442 3.900 20 30 DHEDMO C[C@H]([N@@H+](C)CC(=O)Nc1ccccc1SCC#N)C(C)(C)C ZINC000532489698 336250283 /nfs/dbraw/zinc/25/02/83/336250283.db2.gz PEBPUSFOAQEHDK-ZDUSSCGKSA-N 1 1 319.474 3.607 20 30 DHEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000532586463 336256667 /nfs/dbraw/zinc/25/66/67/336256667.db2.gz WMCGWTMUIOERNR-ZFWWWQNUSA-N 1 1 319.474 3.849 20 30 DHEDMO COc1ccc([C@H]([NH2+]Cc2nc(C#N)cs2)C(C)C)cc1 ZINC000352825018 336259480 /nfs/dbraw/zinc/25/94/80/336259480.db2.gz SIXOWWWFFQILCY-MRXNPFEDSA-N 1 1 301.415 3.510 20 30 DHEDMO CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538506523 336269216 /nfs/dbraw/zinc/26/92/16/336269216.db2.gz CQUUEQRGCQBRHN-MAUKXSAKSA-N 1 1 317.452 3.858 20 30 DHEDMO CC(C)CN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538506523 336269217 /nfs/dbraw/zinc/26/92/17/336269217.db2.gz CQUUEQRGCQBRHN-MAUKXSAKSA-N 1 1 317.452 3.858 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000526942176 336275319 /nfs/dbraw/zinc/27/53/19/336275319.db2.gz JDUKVRPFWJYSFF-ZDUSSCGKSA-N 1 1 307.353 3.586 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000526942176 336275320 /nfs/dbraw/zinc/27/53/20/336275320.db2.gz JDUKVRPFWJYSFF-ZDUSSCGKSA-N 1 1 307.353 3.586 20 30 DHEDMO CCC(CC)[C@@H](CN[C@@H](C)c1ccc(OCC#N)cc1)[NH+](C)C ZINC000192953873 336285960 /nfs/dbraw/zinc/28/59/60/336285960.db2.gz KENVTQXYWFYAKP-HNAYVOBHSA-N 1 1 317.477 3.606 20 30 DHEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000301107856 336290348 /nfs/dbraw/zinc/29/03/48/336290348.db2.gz VFDMUOCMWSYNSI-UHFFFAOYSA-N 1 1 311.816 3.534 20 30 DHEDMO N#Cc1ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000301112102 336290566 /nfs/dbraw/zinc/29/05/66/336290566.db2.gz XAZFPKJMNYCGGL-UHFFFAOYSA-N 1 1 311.816 3.534 20 30 DHEDMO C[C@@H](CNc1ccc(C#N)cc1F)[N@H+]1CCc2ccccc2C1 ZINC000301163522 336292707 /nfs/dbraw/zinc/29/27/07/336292707.db2.gz UUEQRFSEVZPEEH-AWEZNQCLSA-N 1 1 309.388 3.556 20 30 DHEDMO N#Cc1ccc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000301197471 336294353 /nfs/dbraw/zinc/29/43/53/336294353.db2.gz OCGHYDZKFGNNCD-GOSISDBHSA-N 1 1 323.415 3.674 20 30 DHEDMO N#Cc1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000301778514 336329089 /nfs/dbraw/zinc/32/90/89/336329089.db2.gz MCGIGECOYNGHFI-KBXCAEBGSA-N 1 1 315.848 3.665 20 30 DHEDMO N#Cc1cccc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c1F ZINC000352885736 336330824 /nfs/dbraw/zinc/33/08/24/336330824.db2.gz DCKSVLVAIIHAMG-KRWDZBQOSA-N 1 1 302.393 3.621 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000302060772 336346218 /nfs/dbraw/zinc/34/62/18/336346218.db2.gz RBDRWEZAGVRMCG-DOTOQJQBSA-N 1 1 315.436 3.788 20 30 DHEDMO CCc1cc(NCc2cccc(O[C@H](C#N)CC)c2)nc(C)[nH+]1 ZINC000302068557 336346698 /nfs/dbraw/zinc/34/66/98/336346698.db2.gz XEUCHWKHDKERLV-INIZCTEOSA-N 1 1 310.401 3.641 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc(C)c(C#N)n2)cc1F ZINC000302604181 336362446 /nfs/dbraw/zinc/36/24/46/336362446.db2.gz CVOMYVUXFPGPTE-UHFFFAOYSA-N 1 1 321.359 3.507 20 30 DHEDMO C#CCCOc1ccc(C[NH2+][C@H](C)c2csc(CC)n2)cc1 ZINC000113341737 336400600 /nfs/dbraw/zinc/40/06/00/336400600.db2.gz JUUYJLVQNMCIMF-CQSZACIVSA-N 1 1 314.454 3.958 20 30 DHEDMO COc1cc(C[NH2+]Cc2cc(Cl)ccc2F)ccc1C#N ZINC000353209097 336406707 /nfs/dbraw/zinc/40/67/07/336406707.db2.gz JPQAHENGOGEFPO-UHFFFAOYSA-N 1 1 304.752 3.649 20 30 DHEDMO C[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccc(C#N)cc1F ZINC000358555620 336634472 /nfs/dbraw/zinc/63/44/72/336634472.db2.gz ANPYQANKTRXIOE-AWEZNQCLSA-N 1 1 320.371 3.734 20 30 DHEDMO CC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000358567844 336634924 /nfs/dbraw/zinc/63/49/24/336634924.db2.gz JYJXJZIDMHQOFX-LBPRGKRZSA-N 1 1 311.360 3.507 20 30 DHEDMO N#Cc1csc(C[NH2+][C@H]2CCOc3c(F)ccc(F)c32)c1 ZINC000361254034 336747171 /nfs/dbraw/zinc/74/71/71/336747171.db2.gz VRRDHVGFQSKZMY-ZDUSSCGKSA-N 1 1 306.337 3.511 20 30 DHEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000362276029 336790558 /nfs/dbraw/zinc/79/05/58/336790558.db2.gz GLMAJSYTKQJSMR-LBPRGKRZSA-N 1 1 314.408 3.808 20 30 DHEDMO Cc1cccc(OC2CC[NH+](Cc3ccc(C#N)o3)CC2)c1C ZINC000371413407 336903160 /nfs/dbraw/zinc/90/31/60/336903160.db2.gz RWIXOXKNHPCHIQ-UHFFFAOYSA-N 1 1 310.397 3.812 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000375120222 337003723 /nfs/dbraw/zinc/00/37/23/337003723.db2.gz IXOCJGXUDFUBQC-HOTGVXAUSA-N 1 1 303.450 3.600 20 30 DHEDMO Cc1ccc(C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)cc1C#N ZINC000375583394 337013796 /nfs/dbraw/zinc/01/37/96/337013796.db2.gz JTVZHCJMZFVQJJ-UHFFFAOYSA-N 1 1 317.392 3.597 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)CC2)ccc1F ZINC000377557216 337055247 /nfs/dbraw/zinc/05/52/47/337055247.db2.gz STFYKOVQDQLPOZ-FQEVSTJZSA-N 1 1 324.399 3.571 20 30 DHEDMO COc1ccc([C@H](O)[C@@H]2CCC[N@H+]2CCCC(C)(C)C#N)cc1 ZINC000378248070 337068705 /nfs/dbraw/zinc/06/87/05/337068705.db2.gz MPQHHEJPLKQHIE-ROUUACIJSA-N 1 1 316.445 3.523 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](C3CC3)C2)cc1OCCCC#N ZINC000378350318 337070565 /nfs/dbraw/zinc/07/05/65/337070565.db2.gz RFYOZVOYMBGSHA-KRWDZBQOSA-N 1 1 314.429 3.610 20 30 DHEDMO Cc1cnc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)s1 ZINC000360077744 337085167 /nfs/dbraw/zinc/08/51/67/337085167.db2.gz UGAHQSPQGXEENF-GFCCVEGCSA-N 1 1 303.456 3.764 20 30 DHEDMO Cc1cnccc1CC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000582662675 337117539 /nfs/dbraw/zinc/11/75/39/337117539.db2.gz INROOHDJSFZAHG-UHFFFAOYSA-N 1 1 307.441 3.962 20 30 DHEDMO CCOC(=O)CCCC[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000172621579 337130363 /nfs/dbraw/zinc/13/03/63/337130363.db2.gz UNAHNPVEAGBXRX-OAHLLOKOSA-N 1 1 302.418 3.675 20 30 DHEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176129482 337150294 /nfs/dbraw/zinc/15/02/94/337150294.db2.gz DGHOPYOZSOBINT-FUHWJXTLSA-N 1 1 300.446 3.512 20 30 DHEDMO FC(F)(F)[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000178961493 337166297 /nfs/dbraw/zinc/16/62/97/337166297.db2.gz IQKWNUHOJKMFLH-ZDUSSCGKSA-N 1 1 301.739 3.966 20 30 DHEDMO FC(F)(F)[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000178961493 337166298 /nfs/dbraw/zinc/16/62/98/337166298.db2.gz IQKWNUHOJKMFLH-ZDUSSCGKSA-N 1 1 301.739 3.966 20 30 DHEDMO CCOCc1cc(C[N@H+](CCC#N)CC(C)(C)C)ccc1OC ZINC000179456236 337169664 /nfs/dbraw/zinc/16/96/64/337169664.db2.gz YVWHXRWXBAAJAF-UHFFFAOYSA-N 1 1 318.461 3.993 20 30 DHEDMO CCOCc1cc(C[N@@H+](CCC#N)CC(C)(C)C)ccc1OC ZINC000179456236 337169665 /nfs/dbraw/zinc/16/96/65/337169665.db2.gz YVWHXRWXBAAJAF-UHFFFAOYSA-N 1 1 318.461 3.993 20 30 DHEDMO CC[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000179941942 337172746 /nfs/dbraw/zinc/17/27/46/337172746.db2.gz HNCLWJFIKKLOKY-HNNXBMFYSA-N 1 1 308.429 3.581 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000181272237 337180760 /nfs/dbraw/zinc/18/07/60/337180760.db2.gz TZHYJSQXQHJLJK-ZIAGYGMSSA-N 1 1 300.402 3.506 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000181272267 337180799 /nfs/dbraw/zinc/18/07/99/337180799.db2.gz TZHYJSQXQHJLJK-KGLIPLIRSA-N 1 1 300.402 3.506 20 30 DHEDMO CCOc1cc(C[NH2+][C@H](CC)CC#N)ccc1OCC(C)C ZINC000184097822 337196168 /nfs/dbraw/zinc/19/61/68/337196168.db2.gz UMJVPVPCXXLFBA-MRXNPFEDSA-N 1 1 304.434 3.902 20 30 DHEDMO N#CCC1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000397230936 337257551 /nfs/dbraw/zinc/25/75/51/337257551.db2.gz QSWWULHLHFEXKQ-UHFFFAOYSA-N 1 1 311.198 3.714 20 30 DHEDMO Cc1ccc(C[N@H+](CCO)Cc2ccc(Cl)cc2C#N)cc1 ZINC000187471004 337266206 /nfs/dbraw/zinc/26/62/06/337266206.db2.gz AWFJNVWYVUKMJX-UHFFFAOYSA-N 1 1 314.816 3.515 20 30 DHEDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(Cl)cc2C#N)cc1 ZINC000187471004 337266207 /nfs/dbraw/zinc/26/62/07/337266207.db2.gz AWFJNVWYVUKMJX-UHFFFAOYSA-N 1 1 314.816 3.515 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000063751231 337288974 /nfs/dbraw/zinc/28/89/74/337288974.db2.gz HCCQUVBDGVYWAV-UHFFFAOYSA-N 1 1 309.369 3.877 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000191105275 337293975 /nfs/dbraw/zinc/29/39/75/337293975.db2.gz WPWNHJYNVHSZKL-UHFFFAOYSA-N 1 1 324.424 3.573 20 30 DHEDMO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000191105630 337294041 /nfs/dbraw/zinc/29/40/41/337294041.db2.gz CMBNVCNABATQNX-HOTGVXAUSA-N 1 1 318.461 3.662 20 30 DHEDMO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000191105630 337294042 /nfs/dbraw/zinc/29/40/42/337294042.db2.gz CMBNVCNABATQNX-HOTGVXAUSA-N 1 1 318.461 3.662 20 30 DHEDMO N#CCSCCC[N@@H+]1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191687376 337300464 /nfs/dbraw/zinc/30/04/64/337300464.db2.gz ARBHQSHSMHPIMK-CYBMUJFWSA-N 1 1 310.413 3.791 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)cc1F ZINC000192024238 337302044 /nfs/dbraw/zinc/30/20/44/337302044.db2.gz JBIRSXJZNCBQTH-UHFFFAOYSA-N 1 1 310.372 3.815 20 30 DHEDMO Cc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)c(C)c1 ZINC000532929992 337393471 /nfs/dbraw/zinc/39/34/71/337393471.db2.gz CMKVOGAUCDWTHW-INIZCTEOSA-N 1 1 321.424 3.807 20 30 DHEDMO CC(C)CC[N@@H+](CC(=O)Nc1sccc1C#N)C1CCCC1 ZINC000532932120 337393740 /nfs/dbraw/zinc/39/37/40/337393740.db2.gz DQIWASGMIVJZRA-UHFFFAOYSA-N 1 1 319.474 3.849 20 30 DHEDMO C=CCC[C@@H]([NH2+]Cc1nncn1C)c1ccc(C(F)(F)F)cc1 ZINC000537129285 337894257 /nfs/dbraw/zinc/89/42/57/337894257.db2.gz OJKGBBYNZRNGNN-CQSZACIVSA-N 1 1 324.350 3.631 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1SC)OCCO2 ZINC000426557232 338034667 /nfs/dbraw/zinc/03/46/67/338034667.db2.gz DVIAGAJAKJMZFC-CQSZACIVSA-N 1 1 305.443 3.720 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000426577609 338035041 /nfs/dbraw/zinc/03/50/41/338035041.db2.gz DHDHSLXNGGJQKG-QGZVFWFLSA-N 1 1 314.429 3.918 20 30 DHEDMO CC(C)(O)C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000426724815 338039384 /nfs/dbraw/zinc/03/93/84/338039384.db2.gz WBJQRAKEMMEYIW-UHFFFAOYSA-N 1 1 320.436 3.961 20 30 DHEDMO N#Cc1c(F)cccc1C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000428240160 338043953 /nfs/dbraw/zinc/04/39/53/338043953.db2.gz COHSNOBAXNTLRC-UHFFFAOYSA-N 1 1 316.420 3.869 20 30 DHEDMO Cc1cccc(C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)c1C ZINC000428724197 338059609 /nfs/dbraw/zinc/05/96/09/338059609.db2.gz PKNBNBMESYZTLW-UHFFFAOYSA-N 1 1 321.424 3.636 20 30 DHEDMO CC(C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000428851041 338062427 /nfs/dbraw/zinc/06/24/27/338062427.db2.gz QFMSBDMLDAAKLZ-MRXNPFEDSA-N 1 1 321.424 3.968 20 30 DHEDMO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000429300760 338077184 /nfs/dbraw/zinc/07/71/84/338077184.db2.gz JIVWUCLTSVULEQ-AWEZNQCLSA-N 1 1 319.246 3.966 20 30 DHEDMO C[C@@H]1CC[C@H]([N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000429560447 338084170 /nfs/dbraw/zinc/08/41/70/338084170.db2.gz NJEKHSWIWIDYHT-CVEARBPZSA-N 1 1 323.440 3.858 20 30 DHEDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000429566383 338084330 /nfs/dbraw/zinc/08/43/30/338084330.db2.gz JSUIHHBVEMXDQG-KDOFPFPSSA-N 1 1 308.429 3.579 20 30 DHEDMO COc1ccc(C[N@@H+]2CC(C)=C[C@@H](C)C2)cc1OCCCC#N ZINC000430866583 338117490 /nfs/dbraw/zinc/11/74/90/338117490.db2.gz HGKPDEUOOAQFOJ-OAHLLOKOSA-N 1 1 314.429 3.776 20 30 DHEDMO N#CCCC[C@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1ccccc1 ZINC000433019762 338176627 /nfs/dbraw/zinc/17/66/27/338176627.db2.gz AFBRNCNLCFSNEQ-HNNXBMFYSA-N 1 1 322.368 3.854 20 30 DHEDMO N#CC1(C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000433294119 338189676 /nfs/dbraw/zinc/18/96/76/338189676.db2.gz JVKAVZHLTFFQIH-AWEZNQCLSA-N 1 1 319.246 3.617 20 30 DHEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](CCCSCC#N)C1 ZINC000434907638 338227906 /nfs/dbraw/zinc/22/79/06/338227906.db2.gz SVEZDVJVYIBBQZ-SFHVURJKSA-N 1 1 302.487 3.978 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1Cl ZINC000154445343 338243487 /nfs/dbraw/zinc/24/34/87/338243487.db2.gz OXBFMWZICPJAFT-MRXNPFEDSA-N 1 1 309.837 3.640 20 30 DHEDMO N#Cc1ccc(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)c(F)c1 ZINC000435728824 338246507 /nfs/dbraw/zinc/24/65/07/338246507.db2.gz QQIMNGRENQVCKA-SFHVURJKSA-N 1 1 315.436 3.584 20 30 DHEDMO N#Cc1c(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cn2ccccc12 ZINC000437536160 338312933 /nfs/dbraw/zinc/31/29/33/338312933.db2.gz MWRBRMFJACAEMU-ZWKOTPCHSA-N 1 1 311.454 3.671 20 30 DHEDMO CCc1ccc[nH+]c1NCc1cccn1Cc1ccccc1C#N ZINC000437761513 338320390 /nfs/dbraw/zinc/32/03/90/338320390.db2.gz HDRZSGUYDKLGPB-UHFFFAOYSA-N 1 1 316.408 3.978 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000437849367 338323280 /nfs/dbraw/zinc/32/32/80/338323280.db2.gz GCVOFULZAPKVRI-QAPCUYQASA-N 1 1 306.409 3.945 20 30 DHEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000438607264 338349890 /nfs/dbraw/zinc/34/98/90/338349890.db2.gz KOIBQDBFTGYWEX-OAHLLOKOSA-N 1 1 313.828 3.960 20 30 DHEDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000439263933 338365353 /nfs/dbraw/zinc/36/53/53/338365353.db2.gz SWXMCOSEWDFNPE-NRFANRHFSA-N 1 1 322.452 3.916 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)CC1(O)CCCCCC1 ZINC000439446973 338369718 /nfs/dbraw/zinc/36/97/18/338369718.db2.gz RBYKCCGIMHQVHP-UHFFFAOYSA-N 1 1 306.837 3.729 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CCCSC ZINC000439464619 338370446 /nfs/dbraw/zinc/37/04/46/338370446.db2.gz DCFXSWVKRZDXGY-UHFFFAOYSA-N 1 1 324.515 3.588 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)CCCSC ZINC000439464619 338370447 /nfs/dbraw/zinc/37/04/47/338370447.db2.gz DCFXSWVKRZDXGY-UHFFFAOYSA-N 1 1 324.515 3.588 20 30 DHEDMO COc1cc(C[NH+]2CC(c3cccc(Cl)c3)C2)ccc1C#N ZINC000449556264 338637404 /nfs/dbraw/zinc/63/74/04/338637404.db2.gz LRWQUJHMKUVMJR-UHFFFAOYSA-N 1 1 312.800 3.820 20 30 DHEDMO C=CCC[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OCC ZINC000449652688 338644429 /nfs/dbraw/zinc/64/44/29/338644429.db2.gz BEWXUQCYYSZUDB-XQQFMLRXSA-N 1 1 307.356 3.595 20 30 DHEDMO C=CCC[C@H]([NH2+][C@H]1CCC[C@H](c2cccnc2)C1)C(=O)OCC ZINC000449657188 338644672 /nfs/dbraw/zinc/64/46/72/338644672.db2.gz NYPOIOJMWROFME-SZMVWBNQSA-N 1 1 316.445 3.595 20 30 DHEDMO C=CCC(C)(C)CNC(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000458813144 339006197 /nfs/dbraw/zinc/00/61/97/339006197.db2.gz SGCXYZPWNJPKPH-UHFFFAOYSA-N 1 1 323.525 3.742 20 30 DHEDMO CC[N@H+](CCc1cccs1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459329107 339022170 /nfs/dbraw/zinc/02/21/70/339022170.db2.gz QPWCDJGICZVRRA-UHFFFAOYSA-N 1 1 315.398 3.593 20 30 DHEDMO CC[N@@H+](CCc1cccs1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459329107 339022171 /nfs/dbraw/zinc/02/21/71/339022171.db2.gz QPWCDJGICZVRRA-UHFFFAOYSA-N 1 1 315.398 3.593 20 30 DHEDMO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459357541 339024149 /nfs/dbraw/zinc/02/41/49/339024149.db2.gz ORHYOUYVFVEFNC-ZIAGYGMSSA-N 1 1 319.430 3.572 20 30 DHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459357541 339024150 /nfs/dbraw/zinc/02/41/50/339024150.db2.gz ORHYOUYVFVEFNC-ZIAGYGMSSA-N 1 1 319.430 3.572 20 30 DHEDMO C[C@]1([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])CCCc2ccccc21 ZINC000459371455 339025200 /nfs/dbraw/zinc/02/52/00/339025200.db2.gz PMBQEUNJJWLHFD-IBGZPJMESA-N 1 1 321.380 3.808 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459545187 339035026 /nfs/dbraw/zinc/03/50/26/339035026.db2.gz GGNVSEKTDNFKFC-INIZCTEOSA-N 1 1 315.461 3.659 20 30 DHEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000459728188 339044698 /nfs/dbraw/zinc/04/46/98/339044698.db2.gz IFQQPFYRNDAELM-AWEZNQCLSA-N 1 1 310.397 3.735 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC000459742754 339045565 /nfs/dbraw/zinc/04/55/65/339045565.db2.gz BVLOINZTAJUHSU-VQTJNVASSA-N 1 1 315.457 3.624 20 30 DHEDMO N#Cc1ccc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1Cl ZINC000462948111 339098866 /nfs/dbraw/zinc/09/88/66/339098866.db2.gz WAYVBYADWWUSRY-INIZCTEOSA-N 1 1 303.837 3.888 20 30 DHEDMO C=CC[N@H+](CCCC1CCOCC1)Cc1ccc(OC)cc1 ZINC000463291086 339113612 /nfs/dbraw/zinc/11/36/12/339113612.db2.gz VSFHXIJWEFFJPL-UHFFFAOYSA-N 1 1 303.446 3.890 20 30 DHEDMO CCC[C@@]1(C)CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000464830838 339155591 /nfs/dbraw/zinc/15/55/91/339155591.db2.gz AZMRNDVAHXWLGO-SFHVURJKSA-N 1 1 319.493 3.573 20 30 DHEDMO CCC[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000464839917 339156588 /nfs/dbraw/zinc/15/65/88/339156588.db2.gz RVHUDFODPKOCGT-FUHWJXTLSA-N 1 1 319.493 3.620 20 30 DHEDMO CCC[C@]1(C)CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000464842550 339156983 /nfs/dbraw/zinc/15/69/83/339156983.db2.gz IWEZLYPHQOIZRW-LJQANCHMSA-N 1 1 313.445 3.789 20 30 DHEDMO CCC[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000464843299 339157019 /nfs/dbraw/zinc/15/70/19/339157019.db2.gz SHFDNRDIULENCJ-KXBFYZLASA-N 1 1 313.445 3.787 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000466317211 339199475 /nfs/dbraw/zinc/19/94/75/339199475.db2.gz KGEJXPAUOBDMPK-HKUYNNGSSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CC[C@H](CC)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000466391560 339202168 /nfs/dbraw/zinc/20/21/68/339202168.db2.gz HHGHWHLWFCIRTH-KSZLIROESA-N 1 1 321.509 3.637 20 30 DHEDMO CC#CCCCC(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000466654061 339212063 /nfs/dbraw/zinc/21/20/63/339212063.db2.gz FZVJYNWHXVCGTE-UHFFFAOYSA-N 1 1 318.505 3.541 20 30 DHEDMO COCC[C@H]1CCCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000467272520 339229500 /nfs/dbraw/zinc/22/95/00/339229500.db2.gz DLSZQUQGFPIKRL-QGZVFWFLSA-N 1 1 305.849 3.830 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000467300482 339230396 /nfs/dbraw/zinc/23/03/96/339230396.db2.gz DIQWTRQJRLDRED-LJQANCHMSA-N 1 1 318.436 3.681 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000467306592 339230818 /nfs/dbraw/zinc/23/08/18/339230818.db2.gz XUQNLNRCEQQSOC-UHFFFAOYSA-N 1 1 310.397 3.925 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)ccc1F ZINC000468273007 339258437 /nfs/dbraw/zinc/25/84/37/339258437.db2.gz ZSNCFANDHCRZNM-INIZCTEOSA-N 1 1 312.363 3.901 20 30 DHEDMO C=C[C@@H](CC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC000468480246 339263682 /nfs/dbraw/zinc/26/36/82/339263682.db2.gz UCFLCIATPUUSAG-FUHWJXTLSA-N 1 1 314.473 3.583 20 30 DHEDMO CCC[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000469279990 339285024 /nfs/dbraw/zinc/28/50/24/339285024.db2.gz XVPGIXWGDPLSID-KURKYZTESA-N 1 1 316.420 3.723 20 30 DHEDMO CCc1cccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000469725531 339296952 /nfs/dbraw/zinc/29/69/52/339296952.db2.gz OIWLFCWBIAMSHG-FQEVSTJZSA-N 1 1 306.409 3.694 20 30 DHEDMO CCc1cccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000469725531 339296953 /nfs/dbraw/zinc/29/69/53/339296953.db2.gz OIWLFCWBIAMSHG-FQEVSTJZSA-N 1 1 306.409 3.694 20 30 DHEDMO CC[C@H](C[N@H+](C)CCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000469735638 339297287 /nfs/dbraw/zinc/29/72/87/339297287.db2.gz UEOUOMALTCWFGJ-LLVKDONJSA-N 1 1 301.217 3.996 20 30 DHEDMO CC[C@H](C[N@@H+](C)CCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000469735638 339297288 /nfs/dbraw/zinc/29/72/88/339297288.db2.gz UEOUOMALTCWFGJ-LLVKDONJSA-N 1 1 301.217 3.996 20 30 DHEDMO C=C[C@@H](CC(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC000470299195 339316606 /nfs/dbraw/zinc/31/66/06/339316606.db2.gz VGUOWFFDYWCVJC-KRWDZBQOSA-N 1 1 314.473 3.585 20 30 DHEDMO C=CCOCCC[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000470726814 339326391 /nfs/dbraw/zinc/32/63/91/339326391.db2.gz OUOPBZSNQCLUJQ-UHFFFAOYSA-N 1 1 303.324 3.610 20 30 DHEDMO C=CCOCCC[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000470761124 339327102 /nfs/dbraw/zinc/32/71/02/339327102.db2.gz VFBINWFJTDVKPY-IKGGRYGDSA-N 1 1 323.477 3.554 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)cc1 ZINC000470925923 339331327 /nfs/dbraw/zinc/33/13/27/339331327.db2.gz LSSNFIZEWLXYAH-IBGZPJMESA-N 1 1 324.399 3.879 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000473119945 339381369 /nfs/dbraw/zinc/38/13/69/339381369.db2.gz RJJFQQREJFCION-NRFANRHFSA-N 1 1 321.420 3.883 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccc(F)cc1 ZINC000491631554 339869586 /nfs/dbraw/zinc/86/95/86/339869586.db2.gz OFAOVCVEAYVGGH-KUHUBIRLSA-N 1 1 308.356 3.581 20 30 DHEDMO C[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)CC(C)(C)C#N ZINC000496623583 340009107 /nfs/dbraw/zinc/00/91/07/340009107.db2.gz MSDTVFXZWIKSEE-UHFFFAOYSA-N 1 1 323.481 3.505 20 30 DHEDMO CC(C)[N@@H+](CCC#N)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496730029 340011459 /nfs/dbraw/zinc/01/14/59/340011459.db2.gz IEDZOPGETJPVCP-HZPDHXFCSA-N 1 1 323.481 3.646 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000499047178 340028480 /nfs/dbraw/zinc/02/84/80/340028480.db2.gz BJLFEFIIVGVWGT-INMHGKMJSA-N 1 1 320.502 3.820 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000499047178 340028481 /nfs/dbraw/zinc/02/84/81/340028481.db2.gz BJLFEFIIVGVWGT-INMHGKMJSA-N 1 1 320.502 3.820 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000501199529 340076105 /nfs/dbraw/zinc/07/61/05/340076105.db2.gz AQXDLNWAUOMCEL-DNVCBOLYSA-N 1 1 306.409 3.945 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000502468866 340105040 /nfs/dbraw/zinc/10/50/40/340105040.db2.gz NFSKQODPXMDBBK-INIZCTEOSA-N 1 1 324.424 3.710 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000502468866 340105041 /nfs/dbraw/zinc/10/50/41/340105041.db2.gz NFSKQODPXMDBBK-INIZCTEOSA-N 1 1 324.424 3.710 20 30 DHEDMO CN(C)c1ccccc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502535034 340107091 /nfs/dbraw/zinc/10/70/91/340107091.db2.gz UUEZLVZKSIWDRZ-UHFFFAOYSA-N 1 1 317.436 3.914 20 30 DHEDMO C=CC[N@@H+](CCO[C@H]1CCCCO1)Cc1ccc(Cl)s1 ZINC000502895970 340116005 /nfs/dbraw/zinc/11/60/05/340116005.db2.gz LMKOFGMQGLPCJF-HNNXBMFYSA-N 1 1 315.866 3.933 20 30 DHEDMO C=CC[N@H+](CCO[C@H]1CCCCO1)Cc1ccc(Cl)s1 ZINC000502895970 340116006 /nfs/dbraw/zinc/11/60/06/340116006.db2.gz LMKOFGMQGLPCJF-HNNXBMFYSA-N 1 1 315.866 3.933 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000505010555 340158606 /nfs/dbraw/zinc/15/86/06/340158606.db2.gz IKDZDTXFVMUKDP-SJORKVTESA-N 1 1 313.445 3.506 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000505023016 340159086 /nfs/dbraw/zinc/15/90/86/340159086.db2.gz IRGKBTBOZBEVCJ-MSOLQXFVSA-N 1 1 313.445 3.554 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC000505034991 340159438 /nfs/dbraw/zinc/15/94/38/340159438.db2.gz JGRUPIMTVBGAJY-INIZCTEOSA-N 1 1 315.461 3.659 20 30 DHEDMO Cc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000505760729 340176866 /nfs/dbraw/zinc/17/68/66/340176866.db2.gz XCNOAMGTTIBHBR-UHFFFAOYSA-N 1 1 305.425 3.579 20 30 DHEDMO Cc1cccc2ncc(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)n21 ZINC000507172798 340211204 /nfs/dbraw/zinc/21/12/04/340211204.db2.gz IKFXPHUZDQXKNG-UHFFFAOYSA-N 1 1 318.424 3.925 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCO[C@H](CC)C1 ZINC000507798956 340231916 /nfs/dbraw/zinc/23/19/16/340231916.db2.gz WRFMDSIOLJKFDA-RTBURBONSA-N 1 1 300.446 3.975 20 30 DHEDMO C=CC[C@@H]1N(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CCCC1(C)C ZINC000509092296 340261083 /nfs/dbraw/zinc/26/10/83/340261083.db2.gz GDXUXEJNQSUVPO-IRXDYDNUSA-N 1 1 306.494 3.844 20 30 DHEDMO C=CC[C@@H]1N(C(=O)CC[C@H]2CCCC[N@@H+]2C)CCCC1(C)C ZINC000509092297 340261108 /nfs/dbraw/zinc/26/11/08/340261108.db2.gz GDXUXEJNQSUVPO-SJORKVTESA-N 1 1 306.494 3.844 20 30 DHEDMO C=C(C)CC[N@H+](Cc1cccc(OC)c1)C1CCC(O)CC1 ZINC000509688320 340276984 /nfs/dbraw/zinc/27/69/84/340276984.db2.gz YYVXXDAEUNQCJB-UHFFFAOYSA-N 1 1 303.446 3.767 20 30 DHEDMO C=CCCCCC[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000510934161 340315463 /nfs/dbraw/zinc/31/54/63/340315463.db2.gz QNQMOJJVJWTWJD-CQSZACIVSA-N 1 1 320.399 3.513 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](CC)C2)ccc1OC ZINC000511837744 340339775 /nfs/dbraw/zinc/33/97/75/340339775.db2.gz JCUHVGIYOALXFR-RDJZCZTQSA-N 1 1 319.445 3.649 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2C[C@H](C)O[C@@H](CC)C2)ccc1OC ZINC000511837744 340339776 /nfs/dbraw/zinc/33/97/76/340339776.db2.gz JCUHVGIYOALXFR-RDJZCZTQSA-N 1 1 319.445 3.649 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1nc2ccccc2n1C ZINC000512041138 340346429 /nfs/dbraw/zinc/34/64/29/340346429.db2.gz SINYJHSNNOBKLP-UHFFFAOYSA-N 1 1 305.425 3.804 20 30 DHEDMO C=C(C)C[N@H+](CCc1ccc(CC)cc1)Cc1ccc(CO)o1 ZINC000512227388 340353225 /nfs/dbraw/zinc/35/32/25/340353225.db2.gz LMOQJZXRPDFOIW-UHFFFAOYSA-N 1 1 313.441 3.955 20 30 DHEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000512415679 340361159 /nfs/dbraw/zinc/36/11/59/340361159.db2.gz NYZSUHZXBKQQAJ-DOTOQJQBSA-N 1 1 305.849 3.707 20 30 DHEDMO COC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000512617967 340369253 /nfs/dbraw/zinc/36/92/53/340369253.db2.gz HDKGEGDJBUADRI-SGTLLEGYSA-N 1 1 316.351 3.875 20 30 DHEDMO CC(C)C[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000512665885 340371885 /nfs/dbraw/zinc/37/18/85/340371885.db2.gz HVGBSKHZVHWWRK-DOTOQJQBSA-N 1 1 317.452 3.716 20 30 DHEDMO CCC[N@@H+](CCCC(C)(C)C#N)C[C@@H]1COc2ccccc2O1 ZINC000174819146 340396630 /nfs/dbraw/zinc/39/66/30/340396630.db2.gz FTJKLPSHVGPCRL-MRXNPFEDSA-N 1 1 316.445 3.868 20 30 DHEDMO C[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174949353 340399885 /nfs/dbraw/zinc/39/98/85/340399885.db2.gz KAEOOQIKVCIWOS-LJQANCHMSA-N 1 1 313.489 3.913 20 30 DHEDMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC(CC#N)CC1 ZINC000542879378 341024834 /nfs/dbraw/zinc/02/48/34/341024834.db2.gz HBDXYYRYBROSEG-CYBMUJFWSA-N 1 1 319.836 3.601 20 30 DHEDMO C[N@@H+](Cc1ccc(OCC(F)F)cc1)Cc1cccc(C#N)c1 ZINC000130753517 341040843 /nfs/dbraw/zinc/04/08/43/341040843.db2.gz XCXBPWJWPRGHTM-UHFFFAOYSA-N 1 1 316.351 3.834 20 30 DHEDMO C[C@H]([NH2+]CCCC(C)(C)C#N)c1noc(Cc2ccccc2)n1 ZINC000543543005 341048749 /nfs/dbraw/zinc/04/87/49/341048749.db2.gz CHGCQUPRNAUTDR-AWEZNQCLSA-N 1 1 312.417 3.641 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(CC)s1 ZINC000564307075 341177952 /nfs/dbraw/zinc/17/79/52/341177952.db2.gz UBQJVPFZRBIKQQ-UHFFFAOYSA-N 1 1 305.443 3.974 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(CC)s1 ZINC000564307075 341177953 /nfs/dbraw/zinc/17/79/53/341177953.db2.gz UBQJVPFZRBIKQQ-UHFFFAOYSA-N 1 1 305.443 3.974 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000075864180 341186554 /nfs/dbraw/zinc/18/65/54/341186554.db2.gz DIXYSXSPGVAVAF-HXUWFJFHSA-N 1 1 306.409 3.597 20 30 DHEDMO CC[N@@H+](Cc1ccccc1C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000133974676 341203559 /nfs/dbraw/zinc/20/35/59/341203559.db2.gz VTEBEGIHSJLVKV-INIZCTEOSA-N 1 1 321.424 3.716 20 30 DHEDMO CC(C)([NH2+]Cc1ccc(C#N)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000547284162 341203651 /nfs/dbraw/zinc/20/36/51/341203651.db2.gz KMIYVODJLUOGGO-UHFFFAOYSA-N 1 1 313.332 3.630 20 30 DHEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000134218813 341209790 /nfs/dbraw/zinc/20/97/90/341209790.db2.gz PHCICNKUHFBKBX-DJJJIMSYSA-N 1 1 310.372 3.521 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000076737365 341213382 /nfs/dbraw/zinc/21/33/82/341213382.db2.gz ZQLAYOFRCUZHBB-GFCCVEGCSA-N 1 1 312.360 3.513 20 30 DHEDMO N#Cc1csc(CNC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000237849933 341221980 /nfs/dbraw/zinc/22/19/80/341221980.db2.gz IJNOGXCGFNSYGR-KRWDZBQOSA-N 1 1 317.502 3.754 20 30 DHEDMO N#Cc1csc(C[NH2+]C[C@@H]2CCCN2CC2CCCCC2)c1 ZINC000237849933 341221981 /nfs/dbraw/zinc/22/19/81/341221981.db2.gz IJNOGXCGFNSYGR-KRWDZBQOSA-N 1 1 317.502 3.754 20 30 DHEDMO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1ccccc1C(C)(C)C#N ZINC000135287351 341235594 /nfs/dbraw/zinc/23/55/94/341235594.db2.gz XWSTVJSCOGMITL-UHFFFAOYSA-N 1 1 316.445 3.651 20 30 DHEDMO C=CCC[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000548631337 341267957 /nfs/dbraw/zinc/26/79/57/341267957.db2.gz CVAXAROQRPMPPR-MJGOQNOKSA-N 1 1 314.473 3.583 20 30 DHEDMO CC[N@@H+](CCOc1cccc(C#N)c1)[C@H](C)c1cccc(O)c1 ZINC000080932733 341276925 /nfs/dbraw/zinc/27/69/25/341276925.db2.gz DMEOTYXZMLXIRR-OAHLLOKOSA-N 1 1 310.397 3.726 20 30 DHEDMO C=CCC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000549035617 341284132 /nfs/dbraw/zinc/28/41/32/341284132.db2.gz FFXHLQCMRDOVDP-VQIMIIECSA-N 1 1 309.413 3.666 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](Oc3ccccc3Cl)C2)C1 ZINC000549532265 341296595 /nfs/dbraw/zinc/29/65/95/341296595.db2.gz NNXMRPQDUHJLRI-ILXRZTDVSA-N 1 1 304.821 3.875 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(CC(C)C)C(C)C)Cc1ccccc1 ZINC000549541184 341296956 /nfs/dbraw/zinc/29/69/56/341296956.db2.gz DUYUHHIZESFXDH-UHFFFAOYSA-N 1 1 302.462 3.568 20 30 DHEDMO C=CC[N@H+](CC(=O)N(CC(C)C)C(C)C)Cc1ccccc1 ZINC000549541184 341296957 /nfs/dbraw/zinc/29/69/57/341296957.db2.gz DUYUHHIZESFXDH-UHFFFAOYSA-N 1 1 302.462 3.568 20 30 DHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081573819 341297286 /nfs/dbraw/zinc/29/72/86/341297286.db2.gz KTNOTPKZMJKCLY-VCBZYWHSSA-N 1 1 319.408 3.578 20 30 DHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081573819 341297287 /nfs/dbraw/zinc/29/72/87/341297287.db2.gz KTNOTPKZMJKCLY-VCBZYWHSSA-N 1 1 319.408 3.578 20 30 DHEDMO C=CCOCC[N@H+](Cc1ccc(OC)cc1OC)C(C)(C)C ZINC000549866150 341305492 /nfs/dbraw/zinc/30/54/92/341305492.db2.gz PDHOAAKPLWURBB-UHFFFAOYSA-N 1 1 307.434 3.507 20 30 DHEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000550041201 341309010 /nfs/dbraw/zinc/30/90/10/341309010.db2.gz XAMOPZZUVUKLSD-CQSZACIVSA-N 1 1 319.246 3.943 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)cc1C#N ZINC000552274200 341383033 /nfs/dbraw/zinc/38/30/33/341383033.db2.gz GAYOHMYDLYLLQN-GOSISDBHSA-N 1 1 306.409 3.946 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCCC[C@H]1C ZINC000249319202 341396373 /nfs/dbraw/zinc/39/63/73/341396373.db2.gz FVKBOVGLCKIXMQ-HIFRSBDPSA-N 1 1 319.474 3.849 20 30 DHEDMO C=CCC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000249564869 341399299 /nfs/dbraw/zinc/39/92/99/341399299.db2.gz MTUANDPTYIIQNI-PKOBYXMFSA-N 1 1 314.473 3.537 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000572980679 341712292 /nfs/dbraw/zinc/71/22/92/341712292.db2.gz IMEBQZAOSCRLMS-BXUZGUMPSA-N 1 1 305.834 3.910 20 30 DHEDMO CC(=O)Nc1ccccc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000180030785 519750816 /nfs/dbraw/zinc/75/08/16/519750816.db2.gz FQTIPOAXYNXXNR-UHFFFAOYSA-N 1 1 319.408 3.681 20 30 DHEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000156837960 521360721 /nfs/dbraw/zinc/36/07/21/521360721.db2.gz DNLAVYFJGMJXLE-AWEZNQCLSA-N 1 1 319.474 3.849 20 30 DHEDMO CCn1c(C[NH2+][C@@H](C)c2ccc(C#N)cc2)nc2cc(F)ccc21 ZINC000338372106 523195986 /nfs/dbraw/zinc/19/59/86/523195986.db2.gz JMANVYRRCDSANV-ZDUSSCGKSA-N 1 1 322.387 3.918 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCSC1 ZINC000356089601 523213331 /nfs/dbraw/zinc/21/33/31/523213331.db2.gz QMMVDHCRQNSMDX-LBPRGKRZSA-N 1 1 300.349 3.514 20 30 DHEDMO Cn1cc(C[N@@H+](C)C(C2CC2)C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180015002 523491244 /nfs/dbraw/zinc/49/12/44/523491244.db2.gz LETLYSSDUSZNGB-UHFFFAOYSA-N 1 1 320.440 3.579 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000157816324 524758270 /nfs/dbraw/zinc/75/82/70/524758270.db2.gz PVQAMHPUFVBBIW-OAHLLOKOSA-N 1 1 310.372 3.695 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000157924773 524759519 /nfs/dbraw/zinc/75/95/19/524759519.db2.gz OFJBYDIYDWTHSG-OAHLLOKOSA-N 1 1 310.372 3.695 20 30 DHEDMO C[C@H](Nc1ncc(C#N)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182816759 525681474 /nfs/dbraw/zinc/68/14/74/525681474.db2.gz DUWGWRFJMAINFO-JSGCOSHPSA-N 1 1 318.852 3.672 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCCO)Cc2cccc(Cl)c2)s1 ZINC000180752693 526607923 /nfs/dbraw/zinc/60/79/23/526607923.db2.gz FMRALQTZXQIUKK-UHFFFAOYSA-N 1 1 320.845 3.658 20 30 DHEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(C#N)ccc1F)CCC2 ZINC000264729614 527110600 /nfs/dbraw/zinc/11/06/00/527110600.db2.gz PKYUBVLERNHAMM-MRXNPFEDSA-N 1 1 315.417 3.972 20 30 DHEDMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(C#N)ccc1F)CCC2 ZINC000264729614 527110599 /nfs/dbraw/zinc/11/05/99/527110599.db2.gz PKYUBVLERNHAMM-MRXNPFEDSA-N 1 1 315.417 3.972 20 30 DHEDMO CCOC1CC2(C1)CC[N@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC000285581609 535397059 /nfs/dbraw/zinc/39/70/59/535397059.db2.gz VEFYVCDIAQZFQI-UHFFFAOYSA-N 1 1 304.821 3.603 20 30 DHEDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC000285581609 535397062 /nfs/dbraw/zinc/39/70/62/535397062.db2.gz VEFYVCDIAQZFQI-UHFFFAOYSA-N 1 1 304.821 3.603 20 30 DHEDMO CN(c1ccc(C#N)cc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286434676 536488274 /nfs/dbraw/zinc/48/82/74/536488274.db2.gz QWHKSIHKRZINTJ-PBWFPOADSA-N 1 1 323.362 3.638 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2nonc2c1 ZINC000846781988 1032067254 /nfs/dbraw/zinc/06/72/54/1032067254.db2.gz LNTGPQVOJSADDZ-UHFFFAOYSA-N 1 1 306.369 3.505 20 30 DHEDMO CC1(C)CN(c2ccc(F)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000383110437 1013194099 /nfs/dbraw/zinc/19/40/99/1013194099.db2.gz NVRGKBAOLBRMCL-UHFFFAOYSA-N 1 1 323.415 3.798 20 30 DHEDMO C=CCCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001209431961 1013272944 /nfs/dbraw/zinc/27/29/44/1013272944.db2.gz XCBVTUREXBCWPT-OSYLJGHBSA-N 1 1 322.493 3.825 20 30 DHEDMO C=CCCCCCC[N@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001209432104 1013273950 /nfs/dbraw/zinc/27/39/50/1013273950.db2.gz ZFQNHGZAEJGEBL-KGLIPLIRSA-N 1 1 311.363 3.850 20 30 DHEDMO C=CCCCCCC[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC001209436029 1013279302 /nfs/dbraw/zinc/27/93/02/1013279302.db2.gz MRIGDXAHHJAMHY-UHFFFAOYSA-N 1 1 318.436 3.720 20 30 DHEDMO C=CCCCCCCCC[N@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001209442184 1013290744 /nfs/dbraw/zinc/29/07/44/1013290744.db2.gz BJHNSRJICDXNJV-KRWDZBQOSA-N 1 1 319.493 3.882 20 30 DHEDMO Cc1ccc([C@H](C)[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c(C)c1 ZINC001167147306 1013312880 /nfs/dbraw/zinc/31/28/80/1013312880.db2.gz UDMUFIRJMIOLFP-JXFKEZNVSA-N 1 1 308.425 3.902 20 30 DHEDMO C#CC[N@H+](Cc1ccc(OCOCC)cc1)C1CCCCC1 ZINC000783437903 1013331032 /nfs/dbraw/zinc/33/10/32/1013331032.db2.gz HSYZPMCCPMIENF-UHFFFAOYSA-N 1 1 301.430 3.827 20 30 DHEDMO N#Cc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cs1 ZINC000894408078 1013334879 /nfs/dbraw/zinc/33/48/79/1013334879.db2.gz XKIWXJFAPHZVBU-CEXWTWQISA-N 1 1 324.449 3.624 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001204472858 1013428213 /nfs/dbraw/zinc/42/82/13/1013428213.db2.gz QSPGMVRVAUFLTH-NSHDSACASA-N 1 1 300.299 3.970 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2F)C1 ZINC001204472858 1013428218 /nfs/dbraw/zinc/42/82/18/1013428218.db2.gz QSPGMVRVAUFLTH-NSHDSACASA-N 1 1 300.299 3.970 20 30 DHEDMO C=CCCCN(CC)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000890810952 1013510228 /nfs/dbraw/zinc/51/02/28/1013510228.db2.gz KZWBIEBGGZDYFY-IBGZPJMESA-N 1 1 314.473 3.924 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000353681962 1013527180 /nfs/dbraw/zinc/52/71/80/1013527180.db2.gz NEBWFECDUUULIW-UHFFFAOYSA-N 1 1 301.430 3.644 20 30 DHEDMO Cc1ccccc1C[N@H+]1CCCN(c2ccc(F)cc2C#N)CC1 ZINC000610273270 1013556342 /nfs/dbraw/zinc/55/63/42/1013556342.db2.gz MBRSULJXCFEWQR-UHFFFAOYSA-N 1 1 323.415 3.718 20 30 DHEDMO COc1ccccc1CC[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000729478082 1013564397 /nfs/dbraw/zinc/56/43/97/1013564397.db2.gz VFDWMOHZFSWURR-UHFFFAOYSA-N 1 1 324.424 3.510 20 30 DHEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000248358824 1013612159 /nfs/dbraw/zinc/61/21/59/1013612159.db2.gz RFSSOIOOPPMDMP-FOIQADDNSA-N 1 1 319.408 3.580 20 30 DHEDMO CC(C)[N@@H+](CCOc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000519908774 1013622402 /nfs/dbraw/zinc/62/24/02/1013622402.db2.gz PFOWHSZLVFUTIR-UHFFFAOYSA-N 1 1 312.388 3.987 20 30 DHEDMO C=CCCn1cc(COc2cc(C)[nH+]c3cc(C)ccc32)nn1 ZINC000655681321 1013635643 /nfs/dbraw/zinc/63/56/43/1013635643.db2.gz JTXRTFLVMQZIGK-UHFFFAOYSA-N 1 1 308.385 3.598 20 30 DHEDMO FC(F)CON=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000758898946 1013645109 /nfs/dbraw/zinc/64/51/09/1013645109.db2.gz AZBAKFLOSNOGOF-HUUCEWRRSA-N 1 1 308.372 3.556 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2cccnc2OC2CCCC2)s1 ZINC000176947114 1013687784 /nfs/dbraw/zinc/68/77/84/1013687784.db2.gz OTQOQNQFXWUAPM-UHFFFAOYSA-N 1 1 313.426 3.626 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+](CCC(C)C)C2CC2)c(C#N)c1C ZINC000177249495 1013711604 /nfs/dbraw/zinc/71/16/04/1013711604.db2.gz OAWUUVNAJPUFRO-UHFFFAOYSA-N 1 1 319.474 3.686 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000441348973 1013723133 /nfs/dbraw/zinc/72/31/33/1013723133.db2.gz RLVAVTUSMCZRGN-MAUKXSAKSA-N 1 1 318.436 3.633 20 30 DHEDMO CC(C)(C)OC(=O)Nc1ccsc1C[NH2+]CC1(C#N)CCC1 ZINC000894965651 1013753563 /nfs/dbraw/zinc/75/35/63/1013753563.db2.gz HTACIOIGEKEHGS-UHFFFAOYSA-N 1 1 321.446 3.879 20 30 DHEDMO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328686782 1013792654 /nfs/dbraw/zinc/79/26/54/1013792654.db2.gz GMVMYBTUKGMYAD-HOTGVXAUSA-N 1 1 312.417 3.505 20 30 DHEDMO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328686782 1013792659 /nfs/dbraw/zinc/79/26/59/1013792659.db2.gz GMVMYBTUKGMYAD-HOTGVXAUSA-N 1 1 312.417 3.505 20 30 DHEDMO Cc1nc2cc(NC(=O)CC[N@@H+]3CCCC[C@@H]3C)ccc2o1 ZINC000328800045 1013799793 /nfs/dbraw/zinc/79/97/93/1013799793.db2.gz YCISDXFUYASJJA-LBPRGKRZSA-N 1 1 301.390 3.989 20 30 DHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2c(C)noc2C)C1 ZINC000330721655 1013835464 /nfs/dbraw/zinc/83/54/64/1013835464.db2.gz FNJVYGAGGXMYDA-CQSZACIVSA-N 1 1 322.453 3.518 20 30 DHEDMO CCc1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cnn1C(CC)CC ZINC000331087849 1013855582 /nfs/dbraw/zinc/85/55/82/1013855582.db2.gz RFEOYAYVLRBFNH-ZIAGYGMSSA-N 1 1 320.481 3.594 20 30 DHEDMO Cc1noc(C(C)C)c1C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000331320401 1013872387 /nfs/dbraw/zinc/87/23/87/1013872387.db2.gz LFYHCNOWEKYUHR-OAHLLOKOSA-N 1 1 321.465 3.779 20 30 DHEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)c1 ZINC000118867919 1014001564 /nfs/dbraw/zinc/00/15/64/1014001564.db2.gz LCJKCQFNNXJGEL-HXUWFJFHSA-N 1 1 305.425 3.961 20 30 DHEDMO CCC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000580136902 1014040804 /nfs/dbraw/zinc/04/08/04/1014040804.db2.gz SSJFYFONXOEVQD-RCCFBDPRSA-N 1 1 316.420 3.723 20 30 DHEDMO C[N@@H+](CCCSCC#N)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000610409648 1014077090 /nfs/dbraw/zinc/07/70/90/1014077090.db2.gz GQEHQCLDMNPPBV-MSOLQXFVSA-N 1 1 318.486 3.733 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccc(Br)cc1C#N)C1CC1 ZINC000310850778 1014085217 /nfs/dbraw/zinc/08/52/17/1014085217.db2.gz APYIUXLEHFNPHQ-UHFFFAOYSA-N 1 1 307.235 3.941 20 30 DHEDMO C=CC[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)CC1CCCCC1 ZINC001167390914 1014111057 /nfs/dbraw/zinc/11/10/57/1014111057.db2.gz CAFLZKPMXNECFP-OAHLLOKOSA-N 1 1 310.482 3.968 20 30 DHEDMO Cc1cc(C)cc(C2=CC[N@H+](Cc3ccc(C#N)cn3)CC2)c1 ZINC000579608589 1014111877 /nfs/dbraw/zinc/11/18/77/1014111877.db2.gz XGFAZGVDFMRPRA-UHFFFAOYSA-N 1 1 303.409 3.859 20 30 DHEDMO Cc1cc(C)cc(C2=CC[N@@H+](Cc3ccc(C#N)cn3)CC2)c1 ZINC000579608589 1014111882 /nfs/dbraw/zinc/11/18/82/1014111882.db2.gz XGFAZGVDFMRPRA-UHFFFAOYSA-N 1 1 303.409 3.859 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1C#N ZINC000610451887 1014288750 /nfs/dbraw/zinc/28/87/50/1014288750.db2.gz LZIYPXFMIPDTAN-GOSISDBHSA-N 1 1 319.452 3.655 20 30 DHEDMO CCC[C@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000048071092 1014369111 /nfs/dbraw/zinc/36/91/11/1014369111.db2.gz YCNNWWQKJYALSX-KRWDZBQOSA-N 1 1 315.461 3.671 20 30 DHEDMO C[C@H](O[NH+]=C(N)C1CCCCCC1)c1nc(C(C)(C)C)no1 ZINC000179003242 1014433244 /nfs/dbraw/zinc/43/32/44/1014433244.db2.gz YALJYVRKQPOAKN-NSHDSACASA-N 1 1 308.426 3.687 20 30 DHEDMO CCn1cc(C[NH2+]CC2(C#N)CCCC2)c(-c2ccccc2)n1 ZINC000895133521 1014522512 /nfs/dbraw/zinc/52/25/12/1014522512.db2.gz LABAQTHWKKWXFS-UHFFFAOYSA-N 1 1 308.429 3.744 20 30 DHEDMO CN(Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442780723 1014729569 /nfs/dbraw/zinc/72/95/69/1014729569.db2.gz NITKIJIZNIZIEY-VQIMIIECSA-N 1 1 323.440 3.693 20 30 DHEDMO COc1cc(C[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)ccc1C#N ZINC000442802551 1014740140 /nfs/dbraw/zinc/74/01/40/1014740140.db2.gz QABCLPFMACNQQB-YWZLYKJASA-N 1 1 322.408 3.529 20 30 DHEDMO COc1cc(C[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)ccc1C#N ZINC000442802551 1014740149 /nfs/dbraw/zinc/74/01/49/1014740149.db2.gz QABCLPFMACNQQB-YWZLYKJASA-N 1 1 322.408 3.529 20 30 DHEDMO CC[N@@H+](Cc1cc(F)ccc1C#N)C[C@H](O)c1ccc(C)cc1 ZINC000160871146 1014748187 /nfs/dbraw/zinc/74/81/87/1014748187.db2.gz INQMYIYJDPZWIT-IBGZPJMESA-N 1 1 312.388 3.561 20 30 DHEDMO CC[N@H+](Cc1cc(F)ccc1C#N)C[C@H](O)c1ccc(C)cc1 ZINC000160871146 1014748194 /nfs/dbraw/zinc/74/81/94/1014748194.db2.gz INQMYIYJDPZWIT-IBGZPJMESA-N 1 1 312.388 3.561 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)ccc1C#N ZINC000442888354 1014763578 /nfs/dbraw/zinc/76/35/78/1014763578.db2.gz GCDLCWWLDVZQHA-DNVCBOLYSA-N 1 1 306.409 3.945 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000442894191 1014766189 /nfs/dbraw/zinc/76/61/89/1014766189.db2.gz BNNIFYSQZGIUAS-HNAYVOBHSA-N 1 1 316.408 3.916 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)cc1 ZINC000442972569 1014783078 /nfs/dbraw/zinc/78/30/78/1014783078.db2.gz YMVVWUDAPPNRIA-QZTJIDSGSA-N 1 1 301.430 3.783 20 30 DHEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000267318350 1014786347 /nfs/dbraw/zinc/78/63/47/1014786347.db2.gz YNQHMYIGVHPGGK-DYESRHJHSA-N 1 1 319.452 3.558 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)cc1Cl ZINC000443062088 1014798117 /nfs/dbraw/zinc/79/81/17/1014798117.db2.gz AFKUIXAWVDUZTK-ZFWWWQNUSA-N 1 1 309.837 3.904 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC001167461417 1014840962 /nfs/dbraw/zinc/84/09/62/1014840962.db2.gz HVADORNXSPULMH-UHFFFAOYSA-N 1 1 320.389 3.560 20 30 DHEDMO N#Cc1ccc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c(F)c1 ZINC000084134004 1014926229 /nfs/dbraw/zinc/92/62/29/1014926229.db2.gz FSXBUHVNDXCATK-IBGZPJMESA-N 1 1 324.399 3.531 20 30 DHEDMO Cn1cc[nH+]c1C[C@H](Nc1cccc(F)c1C#N)c1ccccc1 ZINC000078559006 1014984246 /nfs/dbraw/zinc/98/42/46/1014984246.db2.gz BZWORPILZSJWJK-SFHVURJKSA-N 1 1 320.371 3.827 20 30 DHEDMO COc1cccc2sc(NC(=O)C[NH+]3CCCCCC3)nc21 ZINC000051093520 1015020326 /nfs/dbraw/zinc/02/03/26/1015020326.db2.gz NRLRFYGYZPTOGP-UHFFFAOYSA-N 1 1 319.430 3.769 20 30 DHEDMO N#CCC[N@@H+](C[C@H](O)c1ccc(Cl)c(Cl)c1)CC1CC1 ZINC000878159853 1033605029 /nfs/dbraw/zinc/60/50/29/1033605029.db2.gz XQZXLRRTNCJNRH-HNNXBMFYSA-N 1 1 313.228 3.652 20 30 DHEDMO N#CCC[N@H+](C[C@H](O)c1ccc(Cl)c(Cl)c1)CC1CC1 ZINC000878159853 1033605040 /nfs/dbraw/zinc/60/50/40/1033605040.db2.gz XQZXLRRTNCJNRH-HNNXBMFYSA-N 1 1 313.228 3.652 20 30 DHEDMO CCC#C[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000677048021 1015167936 /nfs/dbraw/zinc/16/79/36/1015167936.db2.gz NLFJSUIOUKFXNF-CYBMUJFWSA-N 1 1 307.459 3.659 20 30 DHEDMO CCC#C[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000677048021 1015167947 /nfs/dbraw/zinc/16/79/47/1015167947.db2.gz NLFJSUIOUKFXNF-CYBMUJFWSA-N 1 1 307.459 3.659 20 30 DHEDMO C=C(C)C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OCC ZINC000895598858 1015220671 /nfs/dbraw/zinc/22/06/71/1015220671.db2.gz VXKQLCIUCBIKOE-AVGNSLFASA-N 1 1 307.356 3.595 20 30 DHEDMO C=CCC[N@H+](C)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000276509107 1015236875 /nfs/dbraw/zinc/23/68/75/1015236875.db2.gz XGSBJFSGAQEZPF-UHFFFAOYSA-N 1 1 303.431 3.685 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000398972453 1015255827 /nfs/dbraw/zinc/25/58/27/1015255827.db2.gz ACXXFVJOJIWYNO-AQNXPRMDSA-N 1 1 312.457 3.658 20 30 DHEDMO C=CC[N@H+](CCOc1ccccc1OC)Cc1cccs1 ZINC000051262519 1015387527 /nfs/dbraw/zinc/38/75/27/1015387527.db2.gz ZPFNRUXEBQBMSQ-UHFFFAOYSA-N 1 1 303.427 3.824 20 30 DHEDMO CC[N@H+](Cc1ccnc(OC)c1F)[C@H](C)c1ccc(C#N)cc1 ZINC000891654569 1015490942 /nfs/dbraw/zinc/49/09/42/1015490942.db2.gz AWEXRHKFTAOLBS-CYBMUJFWSA-N 1 1 313.376 3.684 20 30 DHEDMO CC[N@@H+](Cc1ccnc(OC)c1F)[C@H](C)c1ccc(C#N)cc1 ZINC000891654569 1015490946 /nfs/dbraw/zinc/49/09/46/1015490946.db2.gz AWEXRHKFTAOLBS-CYBMUJFWSA-N 1 1 313.376 3.684 20 30 DHEDMO CC[N@@H+](Cc1cccc2[nH]c(=O)oc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000891655590 1015492750 /nfs/dbraw/zinc/49/27/50/1015492750.db2.gz GYYKHRPYWFUOCH-ZDUSSCGKSA-N 1 1 321.380 3.988 20 30 DHEDMO CC[N@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@H](C)C#N ZINC000107299497 1032119132 /nfs/dbraw/zinc/11/91/32/1032119132.db2.gz JKFHEIMREJSFOC-GFCCVEGCSA-N 1 1 300.324 3.566 20 30 DHEDMO CC[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@H](C)C#N ZINC000107299497 1032119138 /nfs/dbraw/zinc/11/91/38/1032119138.db2.gz JKFHEIMREJSFOC-GFCCVEGCSA-N 1 1 300.324 3.566 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000522472605 1015609157 /nfs/dbraw/zinc/60/91/57/1015609157.db2.gz AIIWLWYUUIEDAZ-APWZRJJASA-N 1 1 306.409 3.815 20 30 DHEDMO CC(=O)Nc1cccc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000329199519 1015657921 /nfs/dbraw/zinc/65/79/21/1015657921.db2.gz XAHPACKNBKCQFI-MRXNPFEDSA-N 1 1 315.417 3.616 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610604769 1015664062 /nfs/dbraw/zinc/66/40/62/1015664062.db2.gz KXLPSWAEQBYSJE-AOOOYVTPSA-N 1 1 316.289 3.989 20 30 DHEDMO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(Br)ccc1C#N ZINC001141903112 1015669734 /nfs/dbraw/zinc/66/97/34/1015669734.db2.gz QSBNJNVIJWXJTM-NWDGAFQWSA-N 1 1 307.235 3.941 20 30 DHEDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(Br)ccc1C#N ZINC001141903112 1015669737 /nfs/dbraw/zinc/66/97/37/1015669737.db2.gz QSBNJNVIJWXJTM-NWDGAFQWSA-N 1 1 307.235 3.941 20 30 DHEDMO O=C(Nc1cccc2c1OCO2)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000329354659 1015691518 /nfs/dbraw/zinc/69/15/18/1015691518.db2.gz YOJJFPMQYGLQPO-ZDUSSCGKSA-N 1 1 316.401 3.658 20 30 DHEDMO Cc1nc(CO[NH+]=C(N)CCCc2ccccc2)sc1C ZINC000176124648 1015704777 /nfs/dbraw/zinc/70/47/77/1015704777.db2.gz PCFPFAKSMJBGSZ-UHFFFAOYSA-N 1 1 303.431 3.572 20 30 DHEDMO Cc1ccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)c2n[nH]cc21 ZINC000329469884 1015709906 /nfs/dbraw/zinc/70/99/06/1015709906.db2.gz YKWYEWXBTJVUSU-ZDUSSCGKSA-N 1 1 300.406 3.724 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1OC(F)F)c1cccc(O)c1 ZINC000341807683 1015745372 /nfs/dbraw/zinc/74/53/72/1015745372.db2.gz DRZYEOLGUJNDBT-NSHDSACASA-N 1 1 318.323 3.716 20 30 DHEDMO CSc1nc(C[N@H+]2CC[C@H](c3ccccc3)C2)ccc1C#N ZINC001141929436 1015770441 /nfs/dbraw/zinc/77/04/41/1015770441.db2.gz VUYVWEOKAXVUON-INIZCTEOSA-N 1 1 309.438 3.665 20 30 DHEDMO C=C1CC(c2noc(C3CCN(c4ccc(C)c[nH+]4)CC3)n2)C1 ZINC000896881389 1015797644 /nfs/dbraw/zinc/79/76/44/1015797644.db2.gz ARQDCPCRYFSSHF-UHFFFAOYSA-N 1 1 310.401 3.591 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1OC ZINC000535780532 1015825464 /nfs/dbraw/zinc/82/54/64/1015825464.db2.gz CCMOQEKCAZYJKT-GOSISDBHSA-N 1 1 324.424 3.992 20 30 DHEDMO C=CCC[C@@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458226605 1015830803 /nfs/dbraw/zinc/83/08/03/1015830803.db2.gz SVFGJLGGSSRCGC-IEBWSBKVSA-N 1 1 314.473 3.585 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000341998803 1015867229 /nfs/dbraw/zinc/86/72/29/1015867229.db2.gz VQFFFCBSWLRORH-GUYCJALGSA-N 1 1 324.415 3.819 20 30 DHEDMO N#Cc1cc(C[NH2+][C@H](c2ccccc2)c2cccc(F)c2)ccn1 ZINC000610956841 1015963271 /nfs/dbraw/zinc/96/32/71/1015963271.db2.gz OFJXXOJKFXUZAM-HXUWFJFHSA-N 1 1 317.367 3.972 20 30 DHEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610993938 1015998455 /nfs/dbraw/zinc/99/84/55/1015998455.db2.gz OMLBLBQVMKKZFK-IBGZPJMESA-N 1 1 311.404 3.791 20 30 DHEDMO CCN(CC)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)CC(C)C ZINC000538397505 1016107731 /nfs/dbraw/zinc/10/77/31/1016107731.db2.gz JREOEURBYAYUPP-LPHOPBHVSA-N 1 1 301.478 3.965 20 30 DHEDMO Cc1cc(Br)cc2c1C[N@@H+](CCCCC#N)CC2 ZINC000342292778 1016241957 /nfs/dbraw/zinc/24/19/57/1016241957.db2.gz JVQVVJFVWXEGFL-UHFFFAOYSA-N 1 1 307.235 3.810 20 30 DHEDMO CCC[N@@H+](CCOCCC#N)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001167533761 1016306417 /nfs/dbraw/zinc/30/64/17/1016306417.db2.gz LAEYVSXOQFAMPB-ROUUACIJSA-N 1 1 322.493 3.757 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@H](C)[C@@H]2CC)c1=S ZINC000184975016 1016485182 /nfs/dbraw/zinc/48/51/82/1016485182.db2.gz NCYFNGAEPWDADD-JSGCOSHPSA-N 1 1 306.479 3.555 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@H](C)[C@@H]2CC)c1=S ZINC000184975016 1016485194 /nfs/dbraw/zinc/48/51/94/1016485194.db2.gz NCYFNGAEPWDADD-JSGCOSHPSA-N 1 1 306.479 3.555 20 30 DHEDMO COCC[N@H+](CCC#N)C[C@H](C)CSc1ccccc1C ZINC001167558810 1016537313 /nfs/dbraw/zinc/53/73/13/1016537313.db2.gz UGINDYZXRZDSBL-HNNXBMFYSA-N 1 1 306.475 3.585 20 30 DHEDMO COCC[N@@H+](CCC#N)C[C@H](C)CSc1ccccc1C ZINC001167558810 1016537327 /nfs/dbraw/zinc/53/73/27/1016537327.db2.gz UGINDYZXRZDSBL-HNNXBMFYSA-N 1 1 306.475 3.585 20 30 DHEDMO Cc1cc(F)ncc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000892246380 1016577304 /nfs/dbraw/zinc/57/73/04/1016577304.db2.gz RAKMHMOWUDTLHK-UHFFFAOYSA-N 1 1 307.372 3.690 20 30 DHEDMO Cc1cc(F)ncc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000892246380 1016577318 /nfs/dbraw/zinc/57/73/18/1016577318.db2.gz RAKMHMOWUDTLHK-UHFFFAOYSA-N 1 1 307.372 3.690 20 30 DHEDMO C=CC[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C(C)C ZINC000917069761 1038167551 /nfs/dbraw/zinc/16/75/51/1038167551.db2.gz UXNLODONNFBJBE-LBPRGKRZSA-N 1 1 318.244 3.630 20 30 DHEDMO CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CCCC#N ZINC000582340352 1016603644 /nfs/dbraw/zinc/60/36/44/1016603644.db2.gz YXHBRVZWEMBJBP-CYBMUJFWSA-N 1 1 307.235 3.890 20 30 DHEDMO CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1CCCC#N ZINC000582340352 1016603649 /nfs/dbraw/zinc/60/36/49/1016603649.db2.gz YXHBRVZWEMBJBP-CYBMUJFWSA-N 1 1 307.235 3.890 20 30 DHEDMO CSc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)s1 ZINC001142018364 1017211165 /nfs/dbraw/zinc/21/11/65/1017211165.db2.gz DTZAXAAJULAGPV-UHFFFAOYSA-N 1 1 300.452 3.900 20 30 DHEDMO CSc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)s1 ZINC001142018364 1017211173 /nfs/dbraw/zinc/21/11/73/1017211173.db2.gz DTZAXAAJULAGPV-UHFFFAOYSA-N 1 1 300.452 3.900 20 30 DHEDMO COc1nc(C)cc(C)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000611587882 1016612878 /nfs/dbraw/zinc/61/28/78/1016612878.db2.gz IICBLEZKDSKCNT-ZDUSSCGKSA-N 1 1 313.376 3.569 20 30 DHEDMO Cc1cc(Br)ccc1C[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000582373548 1016636411 /nfs/dbraw/zinc/63/64/11/1016636411.db2.gz XTZYIFOIRHHYGJ-WFASDCNBSA-N 1 1 307.235 3.882 20 30 DHEDMO N#Cc1ccc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC000281875850 1016775079 /nfs/dbraw/zinc/77/50/79/1016775079.db2.gz LDENEUOYMKSWPY-HNNXBMFYSA-N 1 1 324.403 3.614 20 30 DHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000072663607 1016777993 /nfs/dbraw/zinc/77/79/93/1016777993.db2.gz OUNIKXMYJCIERK-HFTRVMKXSA-N 1 1 311.429 3.540 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2F)o1 ZINC000342590185 1016817595 /nfs/dbraw/zinc/81/75/95/1016817595.db2.gz SHEUNFWOEBQVOQ-MRXNPFEDSA-N 1 1 314.360 3.774 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C#N)c2F)o1 ZINC000342590185 1016817615 /nfs/dbraw/zinc/81/76/15/1016817615.db2.gz SHEUNFWOEBQVOQ-MRXNPFEDSA-N 1 1 314.360 3.774 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1OC)[C@@H](C)c1ccccc1 ZINC000347250640 1016820895 /nfs/dbraw/zinc/82/08/95/1016820895.db2.gz GVMXGKCHFNHWIU-INIZCTEOSA-N 1 1 324.424 3.776 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(Br)o1 ZINC000186162199 1017021561 /nfs/dbraw/zinc/02/15/61/1017021561.db2.gz QQHVMLMFHATNFD-UHFFFAOYSA-N 1 1 319.202 3.854 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(Br)o1 ZINC000186162199 1017021570 /nfs/dbraw/zinc/02/15/70/1017021570.db2.gz QQHVMLMFHATNFD-UHFFFAOYSA-N 1 1 319.202 3.854 20 30 DHEDMO N#Cc1ccc2c(c1)[C@H](NC[C@H]1CCC[N@H+]1C1CCCCC1)CC2 ZINC000562100604 1017029561 /nfs/dbraw/zinc/02/95/61/1017029561.db2.gz TXLNMBCUFYPTHS-TZIWHRDSSA-N 1 1 323.484 3.932 20 30 DHEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCN1C1CCCCC1)CC2 ZINC000562100604 1017029567 /nfs/dbraw/zinc/02/95/67/1017029567.db2.gz TXLNMBCUFYPTHS-TZIWHRDSSA-N 1 1 323.484 3.932 20 30 DHEDMO C#CC[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CC1 ZINC000763950553 1017045399 /nfs/dbraw/zinc/04/53/99/1017045399.db2.gz XBXIZIXTNGJTFU-UHFFFAOYSA-N 1 1 304.393 3.537 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)C1 ZINC000847020579 1032181835 /nfs/dbraw/zinc/18/18/35/1032181835.db2.gz BSQKGVXJXWREDJ-OAHLLOKOSA-N 1 1 314.429 3.879 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc(OC)c3)n2)C1 ZINC000847024266 1032182158 /nfs/dbraw/zinc/18/21/58/1032182158.db2.gz QCJLPILWSKFBJV-CQSZACIVSA-N 1 1 312.438 3.664 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(-c3cccc(OC)c3)n2)C1 ZINC000847024266 1032182163 /nfs/dbraw/zinc/18/21/63/1032182163.db2.gz QCJLPILWSKFBJV-CQSZACIVSA-N 1 1 312.438 3.664 20 30 DHEDMO C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000847023113 1032180850 /nfs/dbraw/zinc/18/08/50/1032180850.db2.gz KYEBZZVDWQVNPQ-IRXDYDNUSA-N 1 1 312.457 3.791 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000847023113 1032180860 /nfs/dbraw/zinc/18/08/60/1032180860.db2.gz KYEBZZVDWQVNPQ-IRXDYDNUSA-N 1 1 312.457 3.791 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000847033722 1032184041 /nfs/dbraw/zinc/18/40/41/1032184041.db2.gz ZMLUOMJAHYVKDG-KRWDZBQOSA-N 1 1 318.420 3.784 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000847031326 1032184943 /nfs/dbraw/zinc/18/49/43/1032184943.db2.gz BPAZUDXVAOURPM-QGZVFWFLSA-N 1 1 306.409 3.506 20 30 DHEDMO C[C@@H]1[C@H](C)C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC001171305305 1032310783 /nfs/dbraw/zinc/31/07/83/1032310783.db2.gz AWPDKTSXGKHVGD-UPJWGTAASA-N 1 1 319.836 3.517 20 30 DHEDMO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000537626148 1032350714 /nfs/dbraw/zinc/35/07/14/1032350714.db2.gz GAZZKGISLVSINO-QZTJIDSGSA-N 1 1 322.456 3.979 20 30 DHEDMO CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000537626148 1032350726 /nfs/dbraw/zinc/35/07/26/1032350726.db2.gz GAZZKGISLVSINO-QZTJIDSGSA-N 1 1 322.456 3.979 20 30 DHEDMO COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CCC[C@@H](C#N)CC1)CC2 ZINC001171321991 1032366300 /nfs/dbraw/zinc/36/63/00/1032366300.db2.gz QGKRYMPHWRHDIP-KGLIPLIRSA-N 1 1 318.848 3.832 20 30 DHEDMO COc1ccc(Cl)c2c1C[C@H]([N@H+]1CCC[C@H](C#N)CC1)CC2 ZINC001171321992 1032366868 /nfs/dbraw/zinc/36/68/68/1032366868.db2.gz QGKRYMPHWRHDIP-UONOGXRCSA-N 1 1 318.848 3.832 20 30 DHEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000342718069 1017081363 /nfs/dbraw/zinc/08/13/63/1017081363.db2.gz HMKZOTBXWVQBHY-NSHDSACASA-N 1 1 300.324 3.540 20 30 DHEDMO C=C(C)COc1cc(C[N@H+](CC)C[C@@H](C)C#N)ccc1OC ZINC000091984229 1032468343 /nfs/dbraw/zinc/46/83/43/1032468343.db2.gz KAGOMPTZBPHNPE-HNNXBMFYSA-N 1 1 302.418 3.632 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](CC)C[C@@H](C)C#N)ccc1OC ZINC000091984229 1032468345 /nfs/dbraw/zinc/46/83/45/1032468345.db2.gz KAGOMPTZBPHNPE-HNNXBMFYSA-N 1 1 302.418 3.632 20 30 DHEDMO CC(C)(CCC#N)C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000091902480 1032464269 /nfs/dbraw/zinc/46/42/69/1032464269.db2.gz YGAPRYSUUWLLSB-GOSISDBHSA-N 1 1 300.446 3.650 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](OCC(C)C)C2)cc1OC ZINC000091964411 1032466288 /nfs/dbraw/zinc/46/62/88/1032466288.db2.gz GICKZFRIOVQFOA-KRWDZBQOSA-N 1 1 319.445 3.507 20 30 DHEDMO CCc1nc(C[NH2+]Cc2cccc(O[C@@H](C#N)CC)c2)cs1 ZINC000073012194 1017090382 /nfs/dbraw/zinc/09/03/82/1017090382.db2.gz GCZVUXKVBJAJCT-OAHLLOKOSA-N 1 1 315.442 3.676 20 30 DHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2c(F)cccc2F)c1 ZINC000073012009 1017090851 /nfs/dbraw/zinc/09/08/51/1017090851.db2.gz ZJRFMKVGJNLZAI-CQSZACIVSA-N 1 1 316.351 3.936 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1NC(C)=O ZINC000092504576 1032500007 /nfs/dbraw/zinc/50/00/07/1032500007.db2.gz HVWMXSNMGNJNDN-UHFFFAOYSA-N 1 1 319.408 3.705 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1NC(C)=O ZINC000092504576 1032500012 /nfs/dbraw/zinc/50/00/12/1032500012.db2.gz HVWMXSNMGNJNDN-UHFFFAOYSA-N 1 1 319.408 3.705 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc(OC)c1OC ZINC000092504424 1032500181 /nfs/dbraw/zinc/50/01/81/1032500181.db2.gz VWKRTOZUTVYJBS-UHFFFAOYSA-N 1 1 322.408 3.764 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(OC)c1OC ZINC000092504424 1032500185 /nfs/dbraw/zinc/50/01/85/1032500185.db2.gz VWKRTOZUTVYJBS-UHFFFAOYSA-N 1 1 322.408 3.764 20 30 DHEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cnn(-c2ccccc2)c1 ZINC000773030158 1032534402 /nfs/dbraw/zinc/53/44/02/1032534402.db2.gz LXWKWQLCABPNBX-AWEZNQCLSA-N 1 1 320.371 3.734 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171379034 1032548537 /nfs/dbraw/zinc/54/85/37/1032548537.db2.gz BBIYUFUKESVIFR-QGZVFWFLSA-N 1 1 312.363 3.826 20 30 DHEDMO N#CCC[N@@H+](C1CCCC1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171379278 1032549885 /nfs/dbraw/zinc/54/98/85/1032549885.db2.gz CGDYLTIEXNLUKU-MRXNPFEDSA-N 1 1 304.384 3.980 20 30 DHEDMO CC(C)[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCS1 ZINC000093869171 1032562566 /nfs/dbraw/zinc/56/25/66/1032562566.db2.gz DVRQNKZUCDRBHX-SFHVURJKSA-N 1 1 318.486 3.943 20 30 DHEDMO C=CCn1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C(C)C)nn1 ZINC000424293577 1011961218 /nfs/dbraw/zinc/96/12/18/1011961218.db2.gz IQOQGFURVZGVEL-MRXNPFEDSA-N 1 1 304.825 3.604 20 30 DHEDMO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000577646222 1012065633 /nfs/dbraw/zinc/06/56/33/1012065633.db2.gz IIKSWQYQPBRKCF-HNAYVOBHSA-N 1 1 321.424 3.935 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424755787 1012126965 /nfs/dbraw/zinc/12/69/65/1012126965.db2.gz AERPOWINLFETTJ-FUHWJXTLSA-N 1 1 314.473 3.616 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425045619 1012197719 /nfs/dbraw/zinc/19/77/19/1012197719.db2.gz SRNQDWJBRVWRLU-GFCCVEGCSA-N 1 1 321.490 3.841 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425046415 1012198234 /nfs/dbraw/zinc/19/82/34/1012198234.db2.gz UDXGHKMORGDIJT-KRWDZBQOSA-N 1 1 321.490 3.841 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000514082236 1012265182 /nfs/dbraw/zinc/26/51/82/1012265182.db2.gz GJYMVCNABUQFAL-CQSZACIVSA-N 1 1 308.853 3.757 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)c(F)c1 ZINC000924980563 1012278936 /nfs/dbraw/zinc/27/89/36/1012278936.db2.gz QRAOZTFLFHRNQJ-MRXNPFEDSA-N 1 1 315.779 3.913 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(OC)cn1)c1ccc(F)c(F)c1 ZINC000514191825 1012291238 /nfs/dbraw/zinc/29/12/38/1012291238.db2.gz CAYVRCFHEAQZFJ-QGZVFWFLSA-N 1 1 304.340 3.775 20 30 DHEDMO Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)c1C ZINC000122885281 1032624127 /nfs/dbraw/zinc/62/41/27/1032624127.db2.gz TWNIDAQJDPISKV-MRXNPFEDSA-N 1 1 321.424 3.807 20 30 DHEDMO Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)c1C ZINC000122885281 1032624122 /nfs/dbraw/zinc/62/41/22/1032624122.db2.gz TWNIDAQJDPISKV-MRXNPFEDSA-N 1 1 321.424 3.807 20 30 DHEDMO N#Cc1cccc(OCC[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000610215030 1012423428 /nfs/dbraw/zinc/42/34/28/1012423428.db2.gz RVFGYVNUHPHPGS-IBGZPJMESA-N 1 1 306.409 3.502 20 30 DHEDMO Cc1cccc2ncc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)n21 ZINC000425363151 1012490398 /nfs/dbraw/zinc/49/03/98/1012490398.db2.gz BBGOUIAYILGJEU-OAHLLOKOSA-N 1 1 304.397 3.707 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2c(c1)ncn2C ZINC000425365088 1012491776 /nfs/dbraw/zinc/49/17/76/1012491776.db2.gz IRPCRKJHIIVLHY-AWEZNQCLSA-N 1 1 304.397 3.638 20 30 DHEDMO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425367778 1012496249 /nfs/dbraw/zinc/49/62/49/1012496249.db2.gz UOAGIQSGEHLDIW-CQSZACIVSA-N 1 1 308.381 3.538 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1C#N ZINC000425368621 1012499662 /nfs/dbraw/zinc/49/96/62/1012499662.db2.gz XENXRWBAOVFJSL-AWEZNQCLSA-N 1 1 305.381 3.632 20 30 DHEDMO CCCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000514974757 1012520617 /nfs/dbraw/zinc/52/06/17/1012520617.db2.gz JKSKOSBTPHMROG-CRAIPNDOSA-N 1 1 313.445 3.564 20 30 DHEDMO C=CC[C@@H](C)C(=O)N1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001269959773 1012521544 /nfs/dbraw/zinc/52/15/44/1012521544.db2.gz IXYZDEUCBFMBRK-QGZVFWFLSA-N 1 1 318.505 3.846 20 30 DHEDMO Cc1cc(C#N)cc(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000336708363 1012535972 /nfs/dbraw/zinc/53/59/72/1012535972.db2.gz MGEBELRUMLNZHJ-QFBILLFUSA-N 1 1 320.440 3.584 20 30 DHEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)Cc1cccs1 ZINC000048331292 1012567019 /nfs/dbraw/zinc/56/70/19/1012567019.db2.gz UKIPXQADLIJSKJ-UHFFFAOYSA-N 1 1 300.427 3.911 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000515162969 1012567798 /nfs/dbraw/zinc/56/77/98/1012567798.db2.gz YILIMXHHWQRQHF-UHFFFAOYSA-N 1 1 323.392 3.625 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000515162969 1012567805 /nfs/dbraw/zinc/56/78/05/1012567805.db2.gz YILIMXHHWQRQHF-UHFFFAOYSA-N 1 1 323.392 3.625 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)N[C@H](C)C[N@H+](CC)CCC ZINC000515416442 1012618517 /nfs/dbraw/zinc/61/85/17/1012618517.db2.gz MLYLOSVNWYKPLA-OAHLLOKOSA-N 1 1 323.506 3.566 20 30 DHEDMO Cc1cccc(-c2noc(C[NH+]3CCC(CCC#N)CC3)n2)c1 ZINC000515643745 1012691179 /nfs/dbraw/zinc/69/11/79/1012691179.db2.gz ZBMZKKGJVWOLKX-UHFFFAOYSA-N 1 1 310.401 3.561 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000425523740 1012723765 /nfs/dbraw/zinc/72/37/65/1012723765.db2.gz ZTDRNJZJADXKBP-KRWDZBQOSA-N 1 1 314.473 3.712 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCOCC(F)(F)F ZINC000425538548 1012735389 /nfs/dbraw/zinc/73/53/89/1012735389.db2.gz SDIAOAKQCBGLKS-GFCCVEGCSA-N 1 1 300.324 3.520 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425536547 1012738046 /nfs/dbraw/zinc/73/80/46/1012738046.db2.gz OUAPFLXAAGDYLC-AWEZNQCLSA-N 1 1 305.381 3.632 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2OC(F)F)c(F)c1 ZINC000105642837 1012781243 /nfs/dbraw/zinc/78/12/43/1012781243.db2.gz YGISYJVIJLEENR-UHFFFAOYSA-N 1 1 306.287 3.589 20 30 DHEDMO C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(CCC#N)CC1 ZINC000517233151 1012942502 /nfs/dbraw/zinc/94/25/02/1012942502.db2.gz RKVNSLHGOLYZBT-GFCCVEGCSA-N 1 1 316.430 3.875 20 30 DHEDMO C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1ccc(C#N)s1 ZINC000366683627 1012988167 /nfs/dbraw/zinc/98/81/67/1012988167.db2.gz VUQRQMNTOHBOTD-ACJLOTCBSA-N 1 1 322.437 3.793 20 30 DHEDMO C=CCC[N@H+](C)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000475325113 1017143580 /nfs/dbraw/zinc/14/35/80/1017143580.db2.gz RDEVGVNQTNOBPV-AWEZNQCLSA-N 1 1 313.228 3.607 20 30 DHEDMO Cc1cc(C#N)ccc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000186328483 1017164317 /nfs/dbraw/zinc/16/43/17/1017164317.db2.gz FLSFXXGBGLKMJY-APWZRJJASA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1cc(C#N)ccc1CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000186328483 1017164327 /nfs/dbraw/zinc/16/43/27/1017164327.db2.gz FLSFXXGBGLKMJY-APWZRJJASA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1cc(C#N)ccc1CN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000186328483 1017164334 /nfs/dbraw/zinc/16/43/34/1017164334.db2.gz FLSFXXGBGLKMJY-APWZRJJASA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1cc(C#N)ccc1C[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000186327927 1017164631 /nfs/dbraw/zinc/16/46/31/1017164631.db2.gz WLGAIHOWQDOJFX-SFHVURJKSA-N 1 1 312.413 3.963 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](Cc2ccc(C)cc2C)CC(C)C)C1=O ZINC001171446515 1032692536 /nfs/dbraw/zinc/69/25/36/1032692536.db2.gz LRJQGDMZFLIBHJ-IBGZPJMESA-N 1 1 314.473 3.548 20 30 DHEDMO C=C(Br)C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000125107123 1032697858 /nfs/dbraw/zinc/69/78/58/1032697858.db2.gz RMXWORGEIMBAGV-CYBMUJFWSA-N 1 1 308.219 3.931 20 30 DHEDMO CC[C@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1ccc(C#N)cc1 ZINC000342815372 1017433042 /nfs/dbraw/zinc/43/30/42/1017433042.db2.gz PMQDXWOSTYOBHG-SFHVURJKSA-N 1 1 304.397 3.718 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)cc1 ZINC000614777608 1017441202 /nfs/dbraw/zinc/44/12/02/1017441202.db2.gz NEAKNNKPTAGSFY-IBGZPJMESA-N 1 1 320.440 3.692 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]2c2nc3c([nH]2)CCCC3)cc1 ZINC000614777608 1017441206 /nfs/dbraw/zinc/44/12/06/1017441206.db2.gz NEAKNNKPTAGSFY-IBGZPJMESA-N 1 1 320.440 3.692 20 30 DHEDMO N#Cc1cccc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1 ZINC000347335976 1017499105 /nfs/dbraw/zinc/49/91/05/1017499105.db2.gz KCIIJFCVBPGHGH-ZWKOTPCHSA-N 1 1 324.449 3.559 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)cc1 ZINC000347339808 1017542779 /nfs/dbraw/zinc/54/27/79/1017542779.db2.gz NCBXJFVLAZDNCK-MSOLQXFVSA-N 1 1 324.449 3.559 20 30 DHEDMO C[N@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)Cc1ccc(C#N)cc1 ZINC000046527191 1017646581 /nfs/dbraw/zinc/64/65/81/1017646581.db2.gz PBDFVKOMWFIDDA-UHFFFAOYSA-N 1 1 322.452 3.776 20 30 DHEDMO C[N@@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)Cc1ccc(C#N)cc1 ZINC000046527191 1017646588 /nfs/dbraw/zinc/64/65/88/1017646588.db2.gz PBDFVKOMWFIDDA-UHFFFAOYSA-N 1 1 322.452 3.776 20 30 DHEDMO C=CC[C@@H]1[N@H+](CCS(=O)(=O)c2ccccc2)CCCC1(C)C ZINC000444776865 1017674932 /nfs/dbraw/zinc/67/49/32/1017674932.db2.gz CZOAOUIJUMOHRN-KRWDZBQOSA-N 1 1 321.486 3.527 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCCC23CCC3)c(Br)c1 ZINC000444784653 1017679462 /nfs/dbraw/zinc/67/94/62/1017679462.db2.gz OIDYVBRPCSNCJD-UHFFFAOYSA-N 1 1 305.219 3.839 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000523438533 1017698885 /nfs/dbraw/zinc/69/88/85/1017698885.db2.gz FKWCGGABCWRMGU-KRWDZBQOSA-N 1 1 302.462 3.721 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cc(C)cc(OC)c1O ZINC000164298630 1017750661 /nfs/dbraw/zinc/75/06/61/1017750661.db2.gz FIORCIYPKULNMC-UHFFFAOYSA-N 1 1 304.434 3.861 20 30 DHEDMO CCC(C#N)(CC)C(=O)OCCCc1[nH+]cc(C)c(OC)c1C ZINC000860642555 1033441393 /nfs/dbraw/zinc/44/13/93/1033441393.db2.gz LWVDQDLLPIAVEV-UHFFFAOYSA-N 1 1 318.417 3.513 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000625700756 1017777696 /nfs/dbraw/zinc/77/76/96/1017777696.db2.gz LEGWPJDHPGAAQF-SNVBAGLBSA-N 1 1 323.318 3.552 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000625699862 1017780923 /nfs/dbraw/zinc/78/09/23/1017780923.db2.gz HZGWWWRDUFTBMO-LBPRGKRZSA-N 1 1 303.793 3.788 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000091534708 1017950074 /nfs/dbraw/zinc/95/00/74/1017950074.db2.gz XRIMIOUATXQOAS-QGZVFWFLSA-N 1 1 300.446 3.579 20 30 DHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCCC3(CCCC3)C2)c1 ZINC000445849220 1017993329 /nfs/dbraw/zinc/99/33/29/1017993329.db2.gz KJTCITXHMGIJHD-UHFFFAOYSA-N 1 1 311.429 3.543 20 30 DHEDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000245416842 1018150707 /nfs/dbraw/zinc/15/07/07/1018150707.db2.gz FMJRAWAAJKSENU-CRAIPNDOSA-N 1 1 323.444 3.671 20 30 DHEDMO N#Cc1cccc(OCCC[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC000441048714 1018165778 /nfs/dbraw/zinc/16/57/78/1018165778.db2.gz SONVAKBQQVZZSJ-UHFFFAOYSA-N 1 1 310.372 3.525 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000525121855 1018175227 /nfs/dbraw/zinc/17/52/27/1018175227.db2.gz HOMHNKYYQSUJBG-PKOBYXMFSA-N 1 1 314.473 3.537 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cccc2nsnc21 ZINC000766084248 1018207818 /nfs/dbraw/zinc/20/78/18/1018207818.db2.gz MDCHAEOJTJGFJY-UHFFFAOYSA-N 1 1 302.447 3.843 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000155061063 1018242651 /nfs/dbraw/zinc/24/26/51/1018242651.db2.gz RTFOJICSYMQJRV-LPHOPBHVSA-N 1 1 306.409 3.967 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000052247435 1018320486 /nfs/dbraw/zinc/32/04/86/1018320486.db2.gz AGQPNYHDQOHQGM-CQSZACIVSA-N 1 1 316.405 3.533 20 30 DHEDMO CCn1nc(C)c([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000926479826 1018346273 /nfs/dbraw/zinc/34/62/73/1018346273.db2.gz MUOZQSCTRSZALV-YOEHRIQHSA-N 1 1 311.433 3.692 20 30 DHEDMO CCn1nc(C)c([C@@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000926479820 1018347189 /nfs/dbraw/zinc/34/71/89/1018347189.db2.gz MUOZQSCTRSZALV-PBHICJAKSA-N 1 1 311.433 3.692 20 30 DHEDMO CSc1ccc(OCC[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000441248701 1018378908 /nfs/dbraw/zinc/37/89/08/1018378908.db2.gz WFWYQPYMUDLDAQ-UHFFFAOYSA-N 1 1 312.438 3.791 20 30 DHEDMO FC(F)(F)CON=C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000764846489 1018400601 /nfs/dbraw/zinc/40/06/01/1018400601.db2.gz JDMJPWUTJAXQFX-UHFFFAOYSA-N 1 1 320.742 3.871 20 30 DHEDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)o2)cnn1-c1ccc(F)cc1 ZINC000174319444 1018416895 /nfs/dbraw/zinc/41/68/95/1018416895.db2.gz HEBQJFKRKVEKCY-GFCCVEGCSA-N 1 1 324.359 3.635 20 30 DHEDMO CC[C@@H](N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(C#N)cc1 ZINC000447546268 1018417859 /nfs/dbraw/zinc/41/78/59/1018417859.db2.gz UNIUALBTABVZAQ-VQTJNVASSA-N 1 1 311.473 3.863 20 30 DHEDMO CC[C@@H](N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(C#N)cc1 ZINC000447546268 1018417865 /nfs/dbraw/zinc/41/78/65/1018417865.db2.gz UNIUALBTABVZAQ-VQTJNVASSA-N 1 1 311.473 3.863 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)NC(CC)CC)c1ccc(F)c(F)c1 ZINC000187781774 1018457934 /nfs/dbraw/zinc/45/79/34/1018457934.db2.gz QOZNAOVDIYIWJC-SJKOYZFVSA-N 1 1 324.415 3.865 20 30 DHEDMO COc1ccc(C[N@H+]2CCCC2(C)C)cc1OCCCC#N ZINC000127275340 1018479614 /nfs/dbraw/zinc/47/96/14/1018479614.db2.gz XDKRMXYEKZPBCP-UHFFFAOYSA-N 1 1 302.418 3.752 20 30 DHEDMO C[C@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1ccc(C#N)cc1 ZINC000447834777 1018484122 /nfs/dbraw/zinc/48/41/22/1018484122.db2.gz XSCVSSXFRVYETL-AWEZNQCLSA-N 1 1 302.381 3.799 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000527190871 1018527570 /nfs/dbraw/zinc/52/75/70/1018527570.db2.gz KNZBSBRUFLHPGU-DOMZBBRYSA-N 1 1 312.335 3.663 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000527190872 1018527919 /nfs/dbraw/zinc/52/79/19/1018527919.db2.gz KNZBSBRUFLHPGU-IUODEOHRSA-N 1 1 312.335 3.663 20 30 DHEDMO CCCCCCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000858111226 1032771467 /nfs/dbraw/zinc/77/14/67/1032771467.db2.gz XVYPXQIIBSXEPS-SJLPKXTDSA-N 1 1 321.509 3.615 20 30 DHEDMO C=C(CNC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000675783579 1018590116 /nfs/dbraw/zinc/59/01/16/1018590116.db2.gz LMELSRDBLGHROJ-UHFFFAOYSA-N 1 1 320.480 3.997 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2CCC(C)(C)C#N)c(OC)c1 ZINC000157461386 1018636830 /nfs/dbraw/zinc/63/68/30/1018636830.db2.gz UJCXIOPVCBLVRM-INIZCTEOSA-N 1 1 302.418 3.781 20 30 DHEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CCCCC1 ZINC000448821911 1018648945 /nfs/dbraw/zinc/64/89/45/1018648945.db2.gz IKIDIPBBGKEHKL-KRWDZBQOSA-N 1 1 306.494 3.750 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC001171560971 1032781314 /nfs/dbraw/zinc/78/13/14/1032781314.db2.gz LQJQFLFVKSZACO-HNNXBMFYSA-N 1 1 311.816 3.986 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC001171560971 1032781317 /nfs/dbraw/zinc/78/13/17/1032781317.db2.gz LQJQFLFVKSZACO-HNNXBMFYSA-N 1 1 311.816 3.986 20 30 DHEDMO Oc1cccc(F)c1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001137840413 1018778622 /nfs/dbraw/zinc/77/86/22/1018778622.db2.gz ZREOZVHDFNYBMB-UHFFFAOYSA-N 1 1 309.384 3.795 20 30 DHEDMO C=CC[N@H+](CCOc1ccc(OC)cc1)Cc1cccs1 ZINC000248135619 1018838194 /nfs/dbraw/zinc/83/81/94/1018838194.db2.gz NJGSQGVRWKDZMZ-UHFFFAOYSA-N 1 1 303.427 3.824 20 30 DHEDMO Cc1ccc(CN2CC[C@@H](C[N@H+](C)CCCCC#N)C2)s1 ZINC000584164987 1018994491 /nfs/dbraw/zinc/99/44/91/1018994491.db2.gz MAPKCYAUTYHECT-INIZCTEOSA-N 1 1 305.491 3.504 20 30 DHEDMO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)CCCCC#N)C2)s1 ZINC000584164987 1018994498 /nfs/dbraw/zinc/99/44/98/1018994498.db2.gz MAPKCYAUTYHECT-INIZCTEOSA-N 1 1 305.491 3.504 20 30 DHEDMO C[C@@H](Nc1ncc2c(c1C#N)CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000584228102 1019034400 /nfs/dbraw/zinc/03/44/00/1019034400.db2.gz LTWWSTLJCLZSGL-ZBFHGGJFSA-N 1 1 324.472 3.507 20 30 DHEDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135229292 1019072833 /nfs/dbraw/zinc/07/28/33/1019072833.db2.gz MHZLGWNRJZOCDX-MRXNPFEDSA-N 1 1 300.446 3.736 20 30 DHEDMO C[C@@H](Nc1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309876691 1019112300 /nfs/dbraw/zinc/11/23/00/1019112300.db2.gz UJXGOPQKTVFADQ-APWZRJJASA-N 1 1 305.425 3.881 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(C#N)CCC2)cc1 ZINC000265581508 1019157650 /nfs/dbraw/zinc/15/76/50/1019157650.db2.gz IVUKYCVWRKBDFA-OAHLLOKOSA-N 1 1 311.429 3.693 20 30 DHEDMO CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000554958877 1019172943 /nfs/dbraw/zinc/17/29/43/1019172943.db2.gz YGBXGSVLPHUYKK-NSHDSACASA-N 1 1 307.463 3.686 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000118390299 1019227074 /nfs/dbraw/zinc/22/70/74/1019227074.db2.gz FOVCZIGIXDDNQI-HNNXBMFYSA-N 1 1 309.388 3.581 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1C#N ZINC000158812922 1019239038 /nfs/dbraw/zinc/23/90/38/1019239038.db2.gz RTAYCRIAMJPUSQ-UHFFFAOYSA-N 1 1 307.372 3.980 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1C#N ZINC000158812922 1019239042 /nfs/dbraw/zinc/23/90/42/1019239042.db2.gz RTAYCRIAMJPUSQ-UHFFFAOYSA-N 1 1 307.372 3.980 20 30 DHEDMO N#CCCN1CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC000611174199 1019408753 /nfs/dbraw/zinc/40/87/53/1019408753.db2.gz XWGNWAWODVRTTD-UHFFFAOYSA-N 1 1 321.424 3.510 20 30 DHEDMO C[C@@H]([NH2+]Cc1nc2ccc(Cl)cc2n1C)c1cccc(C#N)c1 ZINC000611198750 1019410224 /nfs/dbraw/zinc/41/02/24/1019410224.db2.gz IDOXVSUXKPYFGT-GFCCVEGCSA-N 1 1 324.815 3.949 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000611235889 1019416410 /nfs/dbraw/zinc/41/64/10/1019416410.db2.gz MXJWPOUDTGMENT-GOSISDBHSA-N 1 1 308.381 3.610 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000611235685 1019417189 /nfs/dbraw/zinc/41/71/89/1019417189.db2.gz CLXWCAWTDVFOHI-IBGZPJMESA-N 1 1 324.449 3.857 20 30 DHEDMO Cn1nc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c2ccccc21 ZINC000611254239 1019422341 /nfs/dbraw/zinc/42/23/41/1019422341.db2.gz ATMJRFVCQZTPLX-UHFFFAOYSA-N 1 1 316.408 3.610 20 30 DHEDMO Cn1nc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c2ccccc21 ZINC000611254239 1019422345 /nfs/dbraw/zinc/42/23/45/1019422345.db2.gz ATMJRFVCQZTPLX-UHFFFAOYSA-N 1 1 316.408 3.610 20 30 DHEDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1cc(C#N)cs1 ZINC000611285843 1019434247 /nfs/dbraw/zinc/43/42/47/1019434247.db2.gz BRCUIWXKCIXICK-INIZCTEOSA-N 1 1 311.454 3.850 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[NH+]2[C@@H](C)CCC[C@@H]2C)c1C#N ZINC000611347092 1019453952 /nfs/dbraw/zinc/45/39/52/1019453952.db2.gz GFCFRNZNSOKWFP-GJZGRUSLSA-N 1 1 308.429 3.815 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](C)[C@H]2C)c1C#N ZINC000611348380 1019454164 /nfs/dbraw/zinc/45/41/64/1019454164.db2.gz WGLZYYCAIYAYAG-GOEBONIOSA-N 1 1 308.429 3.673 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](C)[C@H]2C)c1C#N ZINC000611348380 1019454170 /nfs/dbraw/zinc/45/41/70/1019454170.db2.gz WGLZYYCAIYAYAG-GOEBONIOSA-N 1 1 308.429 3.673 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c1F ZINC000611371594 1019460622 /nfs/dbraw/zinc/46/06/22/1019460622.db2.gz CIJBQIZAVWZOKP-GOSISDBHSA-N 1 1 310.372 3.661 20 30 DHEDMO Cc1ccc(C#N)nc1NCc1ccccc1C[N@H+](C)C(C)C ZINC000611399451 1019471033 /nfs/dbraw/zinc/47/10/33/1019471033.db2.gz QFEWJMIOXAUSOC-UHFFFAOYSA-N 1 1 308.429 3.714 20 30 DHEDMO C[NH+](C)C1(CN[C@H]2CCCc3cc(C#N)ccc32)CCCCC1 ZINC000611390191 1019475077 /nfs/dbraw/zinc/47/50/77/1019475077.db2.gz ILIMRRDOFIVTTE-IBGZPJMESA-N 1 1 311.473 3.790 20 30 DHEDMO Cc1cccc(C[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000611553107 1019521571 /nfs/dbraw/zinc/52/15/71/1019521571.db2.gz REVCWDFKMBZGGJ-FQEVSTJZSA-N 1 1 323.415 3.517 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cccc(CC)c1 ZINC000491273111 1019532883 /nfs/dbraw/zinc/53/28/83/1019532883.db2.gz WMDGMVPQAJOCNM-UHFFFAOYSA-N 1 1 312.413 3.511 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cccc(CC)c1 ZINC000491273111 1019532888 /nfs/dbraw/zinc/53/28/88/1019532888.db2.gz WMDGMVPQAJOCNM-UHFFFAOYSA-N 1 1 312.413 3.511 20 30 DHEDMO C#CCCCCCC[N@@H+](C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001171641433 1032838530 /nfs/dbraw/zinc/83/85/30/1032838530.db2.gz KBGAJSCRLLYJSS-UHFFFAOYSA-N 1 1 320.477 3.654 20 30 DHEDMO C=CCCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000338663024 1019578324 /nfs/dbraw/zinc/57/83/24/1019578324.db2.gz SJHXQPRHSAMQAY-MRXNPFEDSA-N 1 1 300.446 3.643 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)CCc2ccc(Cl)cc21 ZINC001171719356 1032844792 /nfs/dbraw/zinc/84/47/92/1032844792.db2.gz RGNNJCNQBQTTOD-CYBMUJFWSA-N 1 1 311.816 3.768 20 30 DHEDMO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@H](C)c1ccc(C#N)cc1 ZINC000255958279 1019678750 /nfs/dbraw/zinc/67/87/50/1019678750.db2.gz DOKPTRXWXMTEIU-QAPCUYQASA-N 1 1 322.408 3.781 20 30 DHEDMO N#Cc1cc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)cs1 ZINC000922164430 1019740948 /nfs/dbraw/zinc/74/09/48/1019740948.db2.gz ZBVOQFFWMAYEIY-GFCCVEGCSA-N 1 1 308.328 3.814 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000685464442 1019848916 /nfs/dbraw/zinc/84/89/16/1019848916.db2.gz ITDAMEXZCDQZGE-OALUTQOASA-N 1 1 315.457 3.890 20 30 DHEDMO CC[C@H](C)[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000068449815 1019899021 /nfs/dbraw/zinc/89/90/21/1019899021.db2.gz PIODZNJNYKFALU-LBPRGKRZSA-N 1 1 319.474 3.557 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000060478793 1032866403 /nfs/dbraw/zinc/86/64/03/1032866403.db2.gz PCPDEJRVHOEPAA-UHFFFAOYSA-N 1 1 310.372 3.741 20 30 DHEDMO C[N@H+]1CCCC[C@H]1c1ccc(NCCc2ccc(C#N)cc2)nc1 ZINC001167678595 1019955092 /nfs/dbraw/zinc/95/50/92/1019955092.db2.gz QAGRXNNYMIOTMH-IBGZPJMESA-N 1 1 320.440 3.765 20 30 DHEDMO N#Cc1ccc(OCCC[N@H+]2CCCc3sccc3C2)cc1 ZINC000730433446 1019990810 /nfs/dbraw/zinc/99/08/10/1019990810.db2.gz ZEUABSRNRVBPEC-UHFFFAOYSA-N 1 1 312.438 3.837 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(F)c(F)c1 ZINC000657983073 1020067408 /nfs/dbraw/zinc/06/74/08/1020067408.db2.gz QZLGSGZFJJWYQW-WBVHZDCISA-N 1 1 303.356 3.903 20 30 DHEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CC2(CCCC2)O1 ZINC001171734048 1032873280 /nfs/dbraw/zinc/87/32/80/1032873280.db2.gz AUNFXTSKQJLFKV-OAHLLOKOSA-N 1 1 303.833 3.725 20 30 DHEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CC2(CCCC2)O1 ZINC001171734048 1032873346 /nfs/dbraw/zinc/87/33/46/1032873346.db2.gz AUNFXTSKQJLFKV-OAHLLOKOSA-N 1 1 303.833 3.725 20 30 DHEDMO COc1c(C)cc(C[N@@H+](C)Cc2ccc(OCC#N)cc2)cc1C ZINC000731212283 1020081559 /nfs/dbraw/zinc/08/15/59/1020081559.db2.gz CSUHGNWQGJAGBH-UHFFFAOYSA-N 1 1 324.424 3.846 20 30 DHEDMO C=C(Br)C[N@H+](CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000731399368 1020102279 /nfs/dbraw/zinc/10/22/79/1020102279.db2.gz JYABGMHRWRNSQZ-ZDUSSCGKSA-N 1 1 312.251 3.857 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000092588056 1020100161 /nfs/dbraw/zinc/10/01/61/1020100161.db2.gz YEPKJMVPFGCBGW-JKSUJKDBSA-N 1 1 317.502 3.706 20 30 DHEDMO C=C(Br)C[N@@H+](CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000731399368 1020102274 /nfs/dbraw/zinc/10/22/74/1020102274.db2.gz JYABGMHRWRNSQZ-ZDUSSCGKSA-N 1 1 312.251 3.857 20 30 DHEDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000123962994 1020123078 /nfs/dbraw/zinc/12/30/78/1020123078.db2.gz BBIXPLXGMBXFSN-FQEVSTJZSA-N 1 1 306.409 3.572 20 30 DHEDMO CC(C)[C@@H](CO)[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000093530008 1020156591 /nfs/dbraw/zinc/15/65/91/1020156591.db2.gz ZLZBZMJBZHHMEF-GOSISDBHSA-N 1 1 314.454 3.639 20 30 DHEDMO CC(C)[C@H](CO)[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000093530009 1020157613 /nfs/dbraw/zinc/15/76/13/1020157613.db2.gz ZLZBZMJBZHHMEF-SFHVURJKSA-N 1 1 314.454 3.639 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000154939478 1020166511 /nfs/dbraw/zinc/16/65/11/1020166511.db2.gz UEIDNCOICIZPFT-GOSISDBHSA-N 1 1 309.388 3.774 20 30 DHEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000093889922 1020182509 /nfs/dbraw/zinc/18/25/09/1020182509.db2.gz KXGDNJUKVCBWMT-GTJPDFRWSA-N 1 1 318.467 3.550 20 30 DHEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093889922 1020182520 /nfs/dbraw/zinc/18/25/20/1020182520.db2.gz KXGDNJUKVCBWMT-GTJPDFRWSA-N 1 1 318.467 3.550 20 30 DHEDMO Cc1ccc(C[N@@H+](CCCC2(C#N)CCOCC2)C2CC2)o1 ZINC000619620083 1020222211 /nfs/dbraw/zinc/22/22/11/1020222211.db2.gz GFMDJHDFRROCIP-UHFFFAOYSA-N 1 1 302.418 3.653 20 30 DHEDMO CCCCCCC[C@@H](C)CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732449142 1020241597 /nfs/dbraw/zinc/24/15/97/1020241597.db2.gz JAYPHEQGHRGGMD-SJLPKXTDSA-N 1 1 323.525 3.861 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000330906021 1020247242 /nfs/dbraw/zinc/24/72/42/1020247242.db2.gz BFZHHCVIOJXWSV-WMLDXEAASA-N 1 1 314.429 3.673 20 30 DHEDMO CCCCCCCC[C@H](C)OCCCC[C@H]([NH3+])C(=O)OC ZINC001217889863 1020261244 /nfs/dbraw/zinc/26/12/44/1020261244.db2.gz DXTZICIMLATGGX-HOTGVXAUSA-N 1 1 301.471 3.813 20 30 DHEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)c1 ZINC000153517810 1020323471 /nfs/dbraw/zinc/32/34/71/1020323471.db2.gz ACKBFHFCAPIGJJ-IBGZPJMESA-N 1 1 316.408 3.852 20 30 DHEDMO C#CC[N@@H+](CC(=C)C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195095 1020342550 /nfs/dbraw/zinc/34/25/50/1020342550.db2.gz CVWVZDYPBYRTBH-OAHLLOKOSA-N 1 1 320.230 3.784 20 30 DHEDMO C#CC[N@H+](CC(=C)C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195095 1020342564 /nfs/dbraw/zinc/34/25/64/1020342564.db2.gz CVWVZDYPBYRTBH-OAHLLOKOSA-N 1 1 320.230 3.784 20 30 DHEDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1ccc(OCC#N)cc1 ZINC000733313642 1020363662 /nfs/dbraw/zinc/36/36/62/1020363662.db2.gz ZEEIYBCOPUFSQP-UHFFFAOYSA-N 1 1 314.816 3.917 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)cc1 ZINC000733313395 1020364137 /nfs/dbraw/zinc/36/41/37/1020364137.db2.gz QOWCGLRIQOIOGH-HXUWFJFHSA-N 1 1 322.408 3.632 20 30 DHEDMO C#CCOc1ccc(C[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000733326125 1020371505 /nfs/dbraw/zinc/37/15/05/1020371505.db2.gz KJSMTFJGHBYMLD-UHFFFAOYSA-N 1 1 303.764 3.781 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)o1 ZINC000091963147 1020404616 /nfs/dbraw/zinc/40/46/16/1020404616.db2.gz WQVFLHGVHRBXPH-YOEHRIQHSA-N 1 1 314.385 3.613 20 30 DHEDMO C=CCCCCCCCC(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001273089708 1020416691 /nfs/dbraw/zinc/41/66/91/1020416691.db2.gz YFCIVHNXPGAGQR-LJQANCHMSA-N 1 1 306.494 3.847 20 30 DHEDMO N#Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C(F)(F)F ZINC000364172073 1020424131 /nfs/dbraw/zinc/42/41/31/1020424131.db2.gz BVGSMMGOLJXINN-ZIAGYGMSSA-N 1 1 309.335 3.616 20 30 DHEDMO COc1cc(C[N@@H+](CCC(F)(F)F)CC2CC2)ccc1C#N ZINC000282290759 1020435432 /nfs/dbraw/zinc/43/54/32/1020435432.db2.gz LRNBLPFOULASEL-UHFFFAOYSA-N 1 1 312.335 3.731 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000364519506 1020464048 /nfs/dbraw/zinc/46/40/48/1020464048.db2.gz LHESJHZRDQTDAO-SFHVURJKSA-N 1 1 316.408 3.745 20 30 DHEDMO C[C@@H]1CCN(c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000301467848 1020513673 /nfs/dbraw/zinc/51/36/73/1020513673.db2.gz YLVNQDRZEDPKNC-QGZVFWFLSA-N 1 1 305.425 3.659 20 30 DHEDMO CC(C)c1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000359865320 1020574189 /nfs/dbraw/zinc/57/41/89/1020574189.db2.gz DJQZDJGYNFSXAC-AWEZNQCLSA-N 1 1 314.458 3.604 20 30 DHEDMO CCCCCCC[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000734269354 1020579917 /nfs/dbraw/zinc/57/99/17/1020579917.db2.gz IBNVLDTVKSWUCG-JKSUJKDBSA-N 1 1 309.498 3.519 20 30 DHEDMO N#Cc1cc(F)ccc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000303407587 1020580330 /nfs/dbraw/zinc/58/03/30/1020580330.db2.gz SNVSIUNOARFCCB-HXUWFJFHSA-N 1 1 324.399 3.643 20 30 DHEDMO CC[C@H](C)[C@@H](C)[N@@H+](CCC(=O)Nc1sccc1C#N)C1CC1 ZINC000109025706 1020584798 /nfs/dbraw/zinc/58/47/98/1020584798.db2.gz DMHVKAMZOCSRJR-QWHCGFSZSA-N 1 1 319.474 3.847 20 30 DHEDMO Cc1ccccc1[C@@H](C)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000136681636 1020589704 /nfs/dbraw/zinc/58/97/04/1020589704.db2.gz MPVPTNQBZGXEMS-QGZVFWFLSA-N 1 1 320.440 3.535 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1cccc(C)c1C ZINC000065959836 1020605472 /nfs/dbraw/zinc/60/54/72/1020605472.db2.gz QVUSLOOTWVQBAT-UHFFFAOYSA-N 1 1 322.452 3.973 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1cccc(C)c1C ZINC000065959836 1020605529 /nfs/dbraw/zinc/60/55/29/1020605529.db2.gz QVUSLOOTWVQBAT-UHFFFAOYSA-N 1 1 322.452 3.973 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1N(C)C ZINC000303853469 1020608696 /nfs/dbraw/zinc/60/86/96/1020608696.db2.gz LBDYHRCTTNXFRD-UHFFFAOYSA-N 1 1 310.441 3.949 20 30 DHEDMO CC[N@H+](Cc1cc(F)c(C#N)c(F)c1)Cc1ccccc1F ZINC001140755288 1020662486 /nfs/dbraw/zinc/66/24/86/1020662486.db2.gz YQOVUJCRJBUSSN-UHFFFAOYSA-N 1 1 304.315 3.998 20 30 DHEDMO CC[N@@H+](Cc1cc(F)c(C#N)c(F)c1)Cc1ccccc1F ZINC001140755288 1020662489 /nfs/dbraw/zinc/66/24/89/1020662489.db2.gz YQOVUJCRJBUSSN-UHFFFAOYSA-N 1 1 304.315 3.998 20 30 DHEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337207461 1032919380 /nfs/dbraw/zinc/91/93/80/1032919380.db2.gz OQHUNOZTSWNUHS-LJQANCHMSA-N 1 1 312.457 3.924 20 30 DHEDMO CC[N@@H+](CCCCC1(C#N)CCC1)[C@H](C)C(=O)OC(C)(C)C ZINC001171920356 1032919980 /nfs/dbraw/zinc/91/99/80/1032919980.db2.gz DJSSNOVKXJOBOJ-OAHLLOKOSA-N 1 1 308.466 3.903 20 30 DHEDMO C[C@H](c1cccc(NCc2ccc(C#N)cc2)c1)[NH+]1CCOCC1 ZINC000264376199 1032920748 /nfs/dbraw/zinc/92/07/48/1032920748.db2.gz MXDNNOGJBLAGCI-MRXNPFEDSA-N 1 1 321.424 3.564 20 30 DHEDMO Cc1ccc(N=NC(C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000735608631 1020752279 /nfs/dbraw/zinc/75/22/79/1020752279.db2.gz CXIACSNMSGZVTK-HXUWFJFHSA-N 1 1 323.440 3.684 20 30 DHEDMO Cc1ccc(N=NC(C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000735608631 1020752290 /nfs/dbraw/zinc/75/22/90/1020752290.db2.gz CXIACSNMSGZVTK-HXUWFJFHSA-N 1 1 323.440 3.684 20 30 DHEDMO C=CCCC(=O)OC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000735888857 1020774961 /nfs/dbraw/zinc/77/49/61/1020774961.db2.gz JSCKRUAZLOZLDJ-CQSZACIVSA-N 1 1 323.383 3.686 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000735920103 1020780391 /nfs/dbraw/zinc/78/03/91/1020780391.db2.gz NQHDJOLYFYOQIK-IBGZPJMESA-N 1 1 322.408 3.700 20 30 DHEDMO Cc1cccc(C(C)C)c1NC(=O)CO[NH+]=C(N)CCC(C)C ZINC000066374486 1020831962 /nfs/dbraw/zinc/83/19/62/1020831962.db2.gz VORLHNZZLHORFP-UHFFFAOYSA-N 1 1 319.449 3.782 20 30 DHEDMO CC[C@H]1CCC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000738252763 1020870516 /nfs/dbraw/zinc/87/05/16/1020870516.db2.gz AWSXASOLQWZTPE-INIZCTEOSA-N 1 1 308.429 3.891 20 30 DHEDMO CCn1ccnc1C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000740011668 1020921807 /nfs/dbraw/zinc/92/18/07/1020921807.db2.gz QMWRELXLLTZYQP-UHFFFAOYSA-N 1 1 322.437 3.793 20 30 DHEDMO C[C@H]1C[C@H](CCNc2cccnc2C#N)C[N@H+]1Cc1ccccc1 ZINC000582214114 1020929537 /nfs/dbraw/zinc/92/95/37/1020929537.db2.gz UTBOVXGCUQKRGG-WMZOPIPTSA-N 1 1 320.440 3.666 20 30 DHEDMO C=CCCOC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000740247712 1020930444 /nfs/dbraw/zinc/93/04/44/1020930444.db2.gz XMDHHOQEBSTAOZ-INIZCTEOSA-N 1 1 317.429 3.673 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)CCC(=O)Nc1cccc(Cl)c1 ZINC000740423781 1020934669 /nfs/dbraw/zinc/93/46/69/1020934669.db2.gz PSSIJNIVXSSAJE-UHFFFAOYSA-N 1 1 307.825 3.540 20 30 DHEDMO C[C@H]1CC(N=Nc2ccnc3cc(Cl)ccc23)CC[N@H+]1C ZINC000741451752 1021011981 /nfs/dbraw/zinc/01/19/81/1021011981.db2.gz NXUMENXNXRUAKA-NSHDSACASA-N 1 1 302.809 3.770 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCCO1 ZINC000170768439 1021022201 /nfs/dbraw/zinc/02/22/01/1021022201.db2.gz GHBUUQRWOGQOIF-INIZCTEOSA-N 1 1 306.409 3.836 20 30 DHEDMO N#Cc1cccc(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1Cl ZINC001140808321 1021034991 /nfs/dbraw/zinc/03/49/91/1021034991.db2.gz QSZOOXCXXACGAL-VXGBXAGGSA-N 1 1 320.717 3.791 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1Cl ZINC001140808321 1021034995 /nfs/dbraw/zinc/03/49/95/1021034995.db2.gz QSZOOXCXXACGAL-VXGBXAGGSA-N 1 1 320.717 3.791 20 30 DHEDMO CC(C)(CCC#N)C[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000374277200 1021136600 /nfs/dbraw/zinc/13/66/00/1021136600.db2.gz JELOTVZEPISQQT-HXUWFJFHSA-N 1 1 313.489 3.818 20 30 DHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)CCC(C)C)cc1C ZINC000917170632 1021207829 /nfs/dbraw/zinc/20/78/29/1021207829.db2.gz RXHSKEVXQIBXRF-UHFFFAOYSA-N 1 1 315.461 3.528 20 30 DHEDMO Fc1cccc(N=NC2CC[N@@H+](Cc3ccccc3)C2)c1F ZINC000743443124 1021293298 /nfs/dbraw/zinc/29/32/98/1021293298.db2.gz RRCGYEDPNMWKFC-UHFFFAOYSA-N 1 1 301.340 3.639 20 30 DHEDMO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000781420524 1021296033 /nfs/dbraw/zinc/29/60/33/1021296033.db2.gz AWOJDPZKEXGXJD-APPDUMDISA-N 1 1 310.376 3.524 20 30 DHEDMO CC1(C)C[C@H]([NH+]2CCC(S)CC2)CCN1Cc1ccccc1 ZINC001171987796 1032970128 /nfs/dbraw/zinc/97/01/28/1032970128.db2.gz JVPWNXFLCGDIIN-QGZVFWFLSA-N 1 1 318.530 3.824 20 30 DHEDMO N#CCCOCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000338920839 1021329530 /nfs/dbraw/zinc/32/95/30/1021329530.db2.gz NXJVHXNMZQXGDX-OAHLLOKOSA-N 1 1 323.234 3.516 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000538016092 1032974654 /nfs/dbraw/zinc/97/46/54/1032974654.db2.gz ZCTGFZZMYVBYKB-OAHLLOKOSA-N 1 1 319.424 3.625 20 30 DHEDMO CC[C@@H](CC#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077455 1032980151 /nfs/dbraw/zinc/98/01/51/1032980151.db2.gz SUCLHWDZLDZFMD-LWYYNNOASA-N 1 1 311.473 3.854 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000174855730 1021435664 /nfs/dbraw/zinc/43/56/64/1021435664.db2.gz FRLOQGQSYVQSHO-KRWDZBQOSA-N 1 1 314.429 3.524 20 30 DHEDMO C=CCCn1cc(CNc2ccc([N@@H+](C)CCCC)cc2)nn1 ZINC000850213190 1021443393 /nfs/dbraw/zinc/44/33/93/1021443393.db2.gz RUZFXNJHUVSMJJ-UHFFFAOYSA-N 1 1 313.449 3.703 20 30 DHEDMO C=CCCn1cc(CNc2ccc([N@H+](C)CCCC)cc2)nn1 ZINC000850213190 1021443399 /nfs/dbraw/zinc/44/33/99/1021443399.db2.gz RUZFXNJHUVSMJJ-UHFFFAOYSA-N 1 1 313.449 3.703 20 30 DHEDMO COCC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)c1ccccc1 ZINC000264568752 1032981260 /nfs/dbraw/zinc/98/12/60/1032981260.db2.gz QOSUYJIMVFSENS-KRWDZBQOSA-N 1 1 324.424 3.799 20 30 DHEDMO N#C[C@@H]1CCCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079961 1032981886 /nfs/dbraw/zinc/98/18/86/1032981886.db2.gz RJUISAOYGPGQNA-ZGXWSNOMSA-N 1 1 309.457 3.560 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H](O)c1cc(F)ccc1F ZINC000744211490 1021469664 /nfs/dbraw/zinc/46/96/64/1021469664.db2.gz SZNUMINWSWDNNT-LJQANCHMSA-N 1 1 317.379 3.729 20 30 DHEDMO N#C[C@H]1CCCCN1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073581 1032982779 /nfs/dbraw/zinc/98/27/79/1032982779.db2.gz APINDPASDFPWOA-MHTWAQMVSA-N 1 1 323.484 3.950 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(F)c(F)cc1F ZINC000618742251 1021501077 /nfs/dbraw/zinc/50/10/77/1021501077.db2.gz LHNRJBSVSWHJDB-KRWDZBQOSA-N 1 1 302.299 3.753 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C)c2)c1 ZINC000744389173 1021525833 /nfs/dbraw/zinc/52/58/33/1021525833.db2.gz MVEKIYVMFGWSKQ-INIZCTEOSA-N 1 1 306.409 3.608 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CCc1ccccc1 ZINC000182278206 1021576901 /nfs/dbraw/zinc/57/69/01/1021576901.db2.gz RSAPCXWGLDVBOB-NRFANRHFSA-N 1 1 322.452 3.762 20 30 DHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cnn(-c2ccccc2)c1 ZINC000850550328 1021598555 /nfs/dbraw/zinc/59/85/55/1021598555.db2.gz PCFPPGYRDFOORM-INIZCTEOSA-N 1 1 308.429 3.997 20 30 DHEDMO CC(C)(C)[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000619179503 1021672543 /nfs/dbraw/zinc/67/25/43/1021672543.db2.gz QXRWKHWGAUACBA-KRWDZBQOSA-N 1 1 300.446 3.735 20 30 DHEDMO CC[N@@H+](CCOCCC#N)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000339013843 1033001154 /nfs/dbraw/zinc/00/11/54/1033001154.db2.gz OEHSASQWBUFACW-GOSISDBHSA-N 1 1 306.425 3.645 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](COCC)C2)cc1Cl ZINC000093838648 1021686243 /nfs/dbraw/zinc/68/62/43/1021686243.db2.gz QWIWDQKEBVXNGC-OAHLLOKOSA-N 1 1 309.837 3.763 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337455787 1033006038 /nfs/dbraw/zinc/00/60/38/1033006038.db2.gz MYLNPVHDBNLEQN-UHFFFAOYSA-N 1 1 310.372 3.573 20 30 DHEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173190480 1021752126 /nfs/dbraw/zinc/75/21/26/1021752126.db2.gz BCWFBIQWDTYGQV-CJNGLKHVSA-N 1 1 310.401 3.619 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337455787 1033006053 /nfs/dbraw/zinc/00/60/53/1033006053.db2.gz MYLNPVHDBNLEQN-UHFFFAOYSA-N 1 1 310.372 3.573 20 30 DHEDMO Cc1cc(-c2noc([C@H](C)[NH2+]CC3(CC#N)CC3)n2)ccc1F ZINC000619526419 1021779107 /nfs/dbraw/zinc/77/91/07/1021779107.db2.gz YJARHSOULIGPLQ-LBPRGKRZSA-N 1 1 314.364 3.529 20 30 DHEDMO CC[NH+](CC)[C@H](C(=O)O[C@@H](C)CC(C)(C)C#N)c1ccccc1 ZINC000851208203 1021781746 /nfs/dbraw/zinc/78/17/46/1021781746.db2.gz PPCJXPICTLGADR-RDJZCZTQSA-N 1 1 316.445 3.941 20 30 DHEDMO COc1cc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)ccc1C#N ZINC000619674490 1021825207 /nfs/dbraw/zinc/82/52/07/1021825207.db2.gz PYIMSITYNMEGAG-LJQANCHMSA-N 1 1 324.449 3.857 20 30 DHEDMO COCC[N@H+](CCC#N)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000619718665 1021848757 /nfs/dbraw/zinc/84/87/57/1021848757.db2.gz UPAIPXOPXYFPGI-CYBMUJFWSA-N 1 1 314.351 3.671 20 30 DHEDMO COCC[N@@H+](CCC#N)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000619718665 1021848771 /nfs/dbraw/zinc/84/87/71/1021848771.db2.gz UPAIPXOPXYFPGI-CYBMUJFWSA-N 1 1 314.351 3.671 20 30 DHEDMO N#CCCOCC[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000339014970 1033010701 /nfs/dbraw/zinc/01/07/01/1033010701.db2.gz OBHIEQHUYYJGDI-UHFFFAOYSA-N 1 1 308.372 3.640 20 30 DHEDMO C=C[C@H](Nc1ccc([N@@H+]2CCCC[C@H]2C)cc1C)C(=O)OC ZINC000619734847 1021854594 /nfs/dbraw/zinc/85/45/94/1021854594.db2.gz VCDMDCBORPMWDE-ZBFHGGJFSA-N 1 1 302.418 3.513 20 30 DHEDMO C=C[C@H](Nc1ccc([N@H+]2CCCC[C@H]2C)cc1C)C(=O)OC ZINC000619734847 1021854607 /nfs/dbraw/zinc/85/46/07/1021854607.db2.gz VCDMDCBORPMWDE-ZBFHGGJFSA-N 1 1 302.418 3.513 20 30 DHEDMO Cc1noc([C@@H]2CCCC[N@@H+]2CCC2(C#N)CCCCC2)n1 ZINC000556820335 1021879696 /nfs/dbraw/zinc/87/96/96/1021879696.db2.gz GBIYEMQUCKTXNY-HNNXBMFYSA-N 1 1 302.422 3.769 20 30 DHEDMO Cc1noc([C@@H]2CCCC[N@H+]2CCC2(C#N)CCCCC2)n1 ZINC000556820335 1021879713 /nfs/dbraw/zinc/87/97/13/1021879713.db2.gz GBIYEMQUCKTXNY-HNNXBMFYSA-N 1 1 302.422 3.769 20 30 DHEDMO N#CCCOCC[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000338939319 1021936908 /nfs/dbraw/zinc/93/69/08/1021936908.db2.gz SHNKFSWNCBBTLD-UHFFFAOYSA-N 1 1 312.388 3.758 20 30 DHEDMO CCCCCCCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000763444312 1021959398 /nfs/dbraw/zinc/95/93/98/1021959398.db2.gz ILGBLCZHJSSSIU-SJORKVTESA-N 1 1 309.450 3.764 20 30 DHEDMO CCCCCCCC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000763444312 1021959457 /nfs/dbraw/zinc/95/94/57/1021959457.db2.gz ILGBLCZHJSSSIU-SJORKVTESA-N 1 1 309.450 3.764 20 30 DHEDMO N#Cc1ccc(OC2CC[NH+](CC=C(Cl)Cl)CC2)cc1 ZINC000851751786 1021989533 /nfs/dbraw/zinc/98/95/33/1021989533.db2.gz SXKZNJSOKHUBNA-UHFFFAOYSA-N 1 1 311.212 3.720 20 30 DHEDMO C[N@@H+](CC[C@H]1CCc2ccccc21)C[C@H](O)c1cccc(C#N)c1 ZINC000852210562 1022088302 /nfs/dbraw/zinc/08/83/02/1022088302.db2.gz HTOYRJZEHHGFGV-NQIIRXRSSA-N 1 1 320.436 3.644 20 30 DHEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000852328648 1022107723 /nfs/dbraw/zinc/10/77/23/1022107723.db2.gz JTWMUQKEWYZKBH-OAQYLSRUSA-N 1 1 317.436 3.628 20 30 DHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000852328648 1022107728 /nfs/dbraw/zinc/10/77/28/1022107728.db2.gz JTWMUQKEWYZKBH-OAQYLSRUSA-N 1 1 317.436 3.628 20 30 DHEDMO C=CC[N@@H+](Cc1cc(Cl)nc2ccccc12)[C@@H](C)COC ZINC000852357271 1022113145 /nfs/dbraw/zinc/11/31/45/1022113145.db2.gz ZLSMLRVSADNGSH-ZDUSSCGKSA-N 1 1 304.821 3.911 20 30 DHEDMO Cn1cc(-c2ccc(C[N@@H+](C)Cc3cccc(C#N)c3)s2)cn1 ZINC000338946565 1022129716 /nfs/dbraw/zinc/12/97/16/1022129716.db2.gz YUUVYWAPCIHWQL-UHFFFAOYSA-N 1 1 322.437 3.652 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccccc1Br ZINC000852685934 1022159706 /nfs/dbraw/zinc/15/97/06/1022159706.db2.gz MYNZTZPCLBLZKH-ZENOOKHLSA-N 1 1 322.246 3.666 20 30 DHEDMO COc1ccc(C#N)cc1C[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000183546781 1022182874 /nfs/dbraw/zinc/18/28/74/1022182874.db2.gz RSGHNXBRAPTGKQ-INIZCTEOSA-N 1 1 313.426 3.573 20 30 DHEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000110981453 1022189890 /nfs/dbraw/zinc/18/98/90/1022189890.db2.gz GQYYKZULHJWNDV-HXUWFJFHSA-N 1 1 318.420 3.638 20 30 DHEDMO C[N@H+](Cc1ccc(F)cc1Br)[C@@H]1CC[C@H](C#N)C1 ZINC000339136614 1022218694 /nfs/dbraw/zinc/21/86/94/1022218694.db2.gz XPUFZLRSGDKVGS-GXFFZTMASA-N 1 1 311.198 3.712 20 30 DHEDMO C[N@@H+](Cc1ccc(F)cc1Br)[C@@H]1CC[C@H](C#N)C1 ZINC000339136614 1022218697 /nfs/dbraw/zinc/21/86/97/1022218697.db2.gz XPUFZLRSGDKVGS-GXFFZTMASA-N 1 1 311.198 3.712 20 30 DHEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc2ccccc2n1 ZINC000921065271 1022206447 /nfs/dbraw/zinc/20/64/47/1022206447.db2.gz BVXVQDPRKRDSDX-UHFFFAOYSA-N 1 1 302.377 3.537 20 30 DHEDMO CCCC[NH+](CCCC)CCNc1c[nH]c2c(C#N)cnc-2c1 ZINC001167734774 1022207573 /nfs/dbraw/zinc/20/75/73/1022207573.db2.gz LYSQNELLAVJLEF-UHFFFAOYSA-N 1 1 313.449 3.749 20 30 DHEDMO Oc1ccccc1/C=N/C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000921261046 1022238563 /nfs/dbraw/zinc/23/85/63/1022238563.db2.gz LCNLFBGZUCSCRM-KNGGAZFVSA-N 1 1 308.425 3.866 20 30 DHEDMO C=CC[C@@](C)([NH2+][C@@H](Cc1ccccc1)CC(C)C)C(=O)OC ZINC001169069812 1022240839 /nfs/dbraw/zinc/24/08/39/1022240839.db2.gz KTPUHULKOJIZLJ-IEBWSBKVSA-N 1 1 303.446 3.741 20 30 DHEDMO CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001169072121 1022241420 /nfs/dbraw/zinc/24/14/20/1022241420.db2.gz YPFAJORLOFREPB-ROUUACIJSA-N 1 1 315.482 3.918 20 30 DHEDMO CC(N=Nc1ccnc(Cl)c1)c1ccc(C[NH+](C)C)cc1 ZINC000853395369 1022267765 /nfs/dbraw/zinc/26/77/65/1022267765.db2.gz UUTMGOSNMAGQHW-UHFFFAOYSA-N 1 1 302.809 3.633 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](CCF)C2)c(O)c(OC)c1 ZINC000853564682 1022293817 /nfs/dbraw/zinc/29/38/17/1022293817.db2.gz SIWODUOABIMDOC-AWEZNQCLSA-N 1 1 307.409 3.701 20 30 DHEDMO CCN(CC)[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)CC(C)C ZINC000538397504 1033046592 /nfs/dbraw/zinc/04/65/92/1033046592.db2.gz JREOEURBYAYUPP-APWZRJJASA-N 1 1 301.478 3.965 20 30 DHEDMO C[C@H](C[N@H+]1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000609739410 1022344308 /nfs/dbraw/zinc/34/43/08/1022344308.db2.gz GKPLCKIUACKSEO-GOSISDBHSA-N 1 1 319.452 3.874 20 30 DHEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCOc1ccccc1C#N ZINC000609916422 1022383686 /nfs/dbraw/zinc/38/36/86/1022383686.db2.gz NIWIYXUOSUUFJJ-QAPCUYQASA-N 1 1 324.399 3.954 20 30 DHEDMO Cc1cccc(C)c1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000610000925 1022396998 /nfs/dbraw/zinc/39/69/98/1022396998.db2.gz BZWUUKKPIJKLJG-UHFFFAOYSA-N 1 1 319.452 3.887 20 30 DHEDMO Cc1ccc(C[C@@H](C)[N@@H+](C)CCOc2ccc(C#N)cc2)cc1 ZINC000610003556 1022400132 /nfs/dbraw/zinc/40/01/32/1022400132.db2.gz OLSFQLHCEAGAKY-QGZVFWFLSA-N 1 1 308.425 3.809 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000132725283 1033058313 /nfs/dbraw/zinc/05/83/13/1033058313.db2.gz VQYMWHISBVVTKV-CQSZACIVSA-N 1 1 301.365 3.631 20 30 DHEDMO N#CC12CCC(Nc3cc(N)cc(C(F)(F)F)[nH+]3)(CC1)CC2 ZINC001169746503 1022521288 /nfs/dbraw/zinc/52/12/88/1022521288.db2.gz JSFQXMAZZSHHLJ-UHFFFAOYSA-N 1 1 310.323 3.711 20 30 DHEDMO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2nc(C)cs2)cc1 ZINC000162338809 1022592399 /nfs/dbraw/zinc/59/23/99/1022592399.db2.gz MSQZDQCTRZZMIW-UONOGXRCSA-N 1 1 300.427 3.875 20 30 DHEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc(C)cs2)cc1 ZINC000162339155 1022592723 /nfs/dbraw/zinc/59/27/23/1022592723.db2.gz MSQZDQCTRZZMIW-KGLIPLIRSA-N 1 1 300.427 3.875 20 30 DHEDMO C=C(Cl)C[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000766929530 1022610223 /nfs/dbraw/zinc/61/02/23/1022610223.db2.gz FIDKWCXEBZZSGT-UHFFFAOYSA-N 1 1 309.837 3.689 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616135060 1022644776 /nfs/dbraw/zinc/64/47/76/1022644776.db2.gz HEWPQTLXKTYRBF-HZPDHXFCSA-N 1 1 323.415 3.969 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616135060 1022644783 /nfs/dbraw/zinc/64/47/83/1022644783.db2.gz HEWPQTLXKTYRBF-HZPDHXFCSA-N 1 1 323.415 3.969 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000616135061 1022645653 /nfs/dbraw/zinc/64/56/53/1022645653.db2.gz HEWPQTLXKTYRBF-JKSUJKDBSA-N 1 1 323.415 3.969 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000616135061 1022645660 /nfs/dbraw/zinc/64/56/60/1022645660.db2.gz HEWPQTLXKTYRBF-JKSUJKDBSA-N 1 1 323.415 3.969 20 30 DHEDMO C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@H]1C(=O)OC(C)(C)C ZINC000584720391 1022661609 /nfs/dbraw/zinc/66/16/09/1022661609.db2.gz HEHDEPCDSFXZKV-HUUCEWRRSA-N 1 1 308.466 3.616 20 30 DHEDMO CCOC[C@@]12CCC[C@@H]1C[N@H+]([C@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172305456 1033076234 /nfs/dbraw/zinc/07/62/34/1033076234.db2.gz SPXJHCOYAZIPMY-AHRSYUTCSA-N 1 1 312.457 3.628 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001172306924 1033076740 /nfs/dbraw/zinc/07/67/40/1033076740.db2.gz LSMCXJOQXOPZNF-UZLBHIALSA-N 1 1 305.425 3.591 20 30 DHEDMO CCCCCCN1CC[NH+]([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172308183 1033077913 /nfs/dbraw/zinc/07/79/13/1033077913.db2.gz UWWFRBSFKJPPFW-GOSISDBHSA-N 1 1 313.489 3.687 20 30 DHEDMO COc1cc(C[N@@H+](C)[C@H](C)Cc2ccc(C#N)cc2)cc(OC)c1 ZINC001172308126 1033078813 /nfs/dbraw/zinc/07/88/13/1033078813.db2.gz TZANCTVWBPITEB-OAHLLOKOSA-N 1 1 324.424 3.638 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H]2CCCCC)c1=S ZINC000767764628 1022801551 /nfs/dbraw/zinc/80/15/51/1022801551.db2.gz ZAKVAJNPTTZCKL-OAHLLOKOSA-N 1 1 308.495 3.911 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H]2CCCCC)c1=S ZINC000767764628 1022801563 /nfs/dbraw/zinc/80/15/63/1022801563.db2.gz ZAKVAJNPTTZCKL-OAHLLOKOSA-N 1 1 308.495 3.911 20 30 DHEDMO C=CCSc1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000617008905 1022807650 /nfs/dbraw/zinc/80/76/50/1022807650.db2.gz OFDJEBMVEUYFFW-AWEZNQCLSA-N 1 1 318.486 3.567 20 30 DHEDMO C=C[C@H](CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000616998458 1022812376 /nfs/dbraw/zinc/81/23/76/1022812376.db2.gz OIDNHDIJCWRPQC-DLBZAZTESA-N 1 1 314.473 3.583 20 30 DHEDMO N#CCCOCC[N@H+](CCc1ccc(Cl)cc1)CC1CC1 ZINC000338996124 1022820773 /nfs/dbraw/zinc/82/07/73/1022820773.db2.gz FZBSFQCKZXXROH-UHFFFAOYSA-N 1 1 306.837 3.525 20 30 DHEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000767880926 1022827267 /nfs/dbraw/zinc/82/72/67/1022827267.db2.gz DUXIVVAPWUAUEN-LJQANCHMSA-N 1 1 306.409 3.926 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1c[nH]c3c1cccc3F)CC2 ZINC001137051567 1022835906 /nfs/dbraw/zinc/83/59/06/1022835906.db2.gz VYYJZWFAXHUCGK-UHFFFAOYSA-N 1 1 305.356 3.737 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1c[nH]c3c1cccc3F)CC2 ZINC001137051567 1022835926 /nfs/dbraw/zinc/83/59/26/1022835926.db2.gz VYYJZWFAXHUCGK-UHFFFAOYSA-N 1 1 305.356 3.737 20 30 DHEDMO CC[C@H](C)c1nc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000617097575 1022843556 /nfs/dbraw/zinc/84/35/56/1022843556.db2.gz LZQRARQEVIKURL-OGHNNQOOSA-N 1 1 323.444 3.918 20 30 DHEDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)[nH]1 ZINC000617097575 1022843569 /nfs/dbraw/zinc/84/35/69/1022843569.db2.gz LZQRARQEVIKURL-OGHNNQOOSA-N 1 1 323.444 3.918 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC001172317439 1033085089 /nfs/dbraw/zinc/08/50/89/1033085089.db2.gz RKAJQSHSXFSUEB-CYBMUJFWSA-N 1 1 312.363 3.826 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1C#N ZINC000859164212 1033088465 /nfs/dbraw/zinc/08/84/65/1033088465.db2.gz WJINFHPKGPWMNM-ZWKOTPCHSA-N 1 1 310.397 3.548 20 30 DHEDMO C#CC[N@@H+](Cc1c(CC)nn(C)c1CC)[C@H]1CCc2ccccc21 ZINC000768129672 1022899886 /nfs/dbraw/zinc/89/98/86/1022899886.db2.gz JGELULAUQBOTRZ-NRFANRHFSA-N 1 1 321.468 3.668 20 30 DHEDMO C#CC[N@H+](Cc1c(CC)nn(C)c1CC)[C@H]1CCc2ccccc21 ZINC000768129672 1022899902 /nfs/dbraw/zinc/89/99/02/1022899902.db2.gz JGELULAUQBOTRZ-NRFANRHFSA-N 1 1 321.468 3.668 20 30 DHEDMO C=CCOc1ccc(C[N@H+](CCC#N)CC(C)C)cc1OC ZINC000768153977 1022905588 /nfs/dbraw/zinc/90/55/88/1022905588.db2.gz QZVQQCDMCBSSBT-UHFFFAOYSA-N 1 1 302.418 3.632 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1OC ZINC000768153977 1022905597 /nfs/dbraw/zinc/90/55/97/1022905597.db2.gz QZVQQCDMCBSSBT-UHFFFAOYSA-N 1 1 302.418 3.632 20 30 DHEDMO C[C@H]1C[C@@H](C(=O)Nc2csc(-c3ccncc3)n2)CC[N@H+]1C ZINC000329560997 1022923208 /nfs/dbraw/zinc/92/32/08/1022923208.db2.gz JBKVGZWHXMNHIE-AAEUAGOBSA-N 1 1 316.430 3.523 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857170398 1022961214 /nfs/dbraw/zinc/96/12/14/1022961214.db2.gz OTEPXINDRKOILB-APWZRJJASA-N 1 1 314.473 3.970 20 30 DHEDMO C=CCCCCNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857182720 1022963084 /nfs/dbraw/zinc/96/30/84/1022963084.db2.gz NEDFWBQPPXBOLL-SFHVURJKSA-N 1 1 300.446 3.582 20 30 DHEDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@H]1C ZINC000418125164 1022964154 /nfs/dbraw/zinc/96/41/54/1022964154.db2.gz JBASWMABTOGHAI-ZACQAIPSSA-N 1 1 322.456 3.940 20 30 DHEDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000418125163 1022964408 /nfs/dbraw/zinc/96/44/08/1022964408.db2.gz JBASWMABTOGHAI-IXDOHACOSA-N 1 1 322.456 3.940 20 30 DHEDMO CCOP(=O)(CCC[N@@H+](C)Cc1ccc(C#N)cc1)OCC ZINC000876573968 1033096577 /nfs/dbraw/zinc/09/65/77/1033096577.db2.gz JGCMNAAWSHIERJ-UHFFFAOYSA-N 1 1 324.361 3.646 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@](C)(C(F)F)O1 ZINC000931080818 1022970688 /nfs/dbraw/zinc/97/06/88/1022970688.db2.gz GDXPIHDHGHELTD-UKRRQHHQSA-N 1 1 300.393 3.595 20 30 DHEDMO CCOP(=O)(CCC[N@@H+](C)Cc1cccc(C#N)c1)OCC ZINC000876573085 1033096683 /nfs/dbraw/zinc/09/66/83/1033096683.db2.gz UWGPVWUVHGZRHP-UHFFFAOYSA-N 1 1 324.361 3.646 20 30 DHEDMO CCCOc1c(Cl)cc(C[NH2+]CC2(C#N)CCC2)cc1OC ZINC000418140440 1022973445 /nfs/dbraw/zinc/97/34/45/1022973445.db2.gz JKZLNJCOUIICGK-UHFFFAOYSA-N 1 1 322.836 3.921 20 30 DHEDMO N#CC1(CNC2CC[NH+](Cc3ccccc3Cl)CC2)CCC1 ZINC000418144021 1022974002 /nfs/dbraw/zinc/97/40/02/1022974002.db2.gz RZSKYCZJGYRNQM-UHFFFAOYSA-N 1 1 317.864 3.588 20 30 DHEDMO C=CC[N@@H+](Cc1cnn(Cc2ccccc2Cl)c1)C(C)C ZINC000768547799 1022993022 /nfs/dbraw/zinc/99/30/22/1022993022.db2.gz PLPUJLAFECXCQZ-UHFFFAOYSA-N 1 1 303.837 3.981 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC001212325100 1023000273 /nfs/dbraw/zinc/00/02/73/1023000273.db2.gz HVBKMVOHVHWSIT-LBPRGKRZSA-N 1 1 309.291 3.559 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801572921 1023030042 /nfs/dbraw/zinc/03/00/42/1023030042.db2.gz JHDNIJUWZJWNJZ-MAUKXSAKSA-N 1 1 310.482 3.968 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCNc1nc(C(C)(C)C)ccc1C#N ZINC001167752989 1023039002 /nfs/dbraw/zinc/03/90/02/1023039002.db2.gz ZLVOYOKDHKPVFN-HNNXBMFYSA-N 1 1 314.477 3.927 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000025477608 1023048417 /nfs/dbraw/zinc/04/84/17/1023048417.db2.gz WAUBKPCBADAKOF-UHFFFAOYSA-N 1 1 324.424 3.899 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C2Cc3ccccc3C2)cc1 ZINC000769033329 1023072759 /nfs/dbraw/zinc/07/27/59/1023072759.db2.gz KJXGUQVHWSTTCJ-HNNXBMFYSA-N 1 1 306.409 3.577 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cc1 ZINC000769308267 1023117358 /nfs/dbraw/zinc/11/73/58/1023117358.db2.gz NXJUSLWRHYEWQY-LAUBAEHRSA-N 1 1 321.420 3.661 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cc1 ZINC000769308267 1023117362 /nfs/dbraw/zinc/11/73/62/1023117362.db2.gz NXJUSLWRHYEWQY-LAUBAEHRSA-N 1 1 321.420 3.661 20 30 DHEDMO CCN(CC)c1ccc(C[N@H+](CCC#N)CC2CC2)cc1F ZINC000769335590 1023127175 /nfs/dbraw/zinc/12/71/75/1023127175.db2.gz NYIHUTPCJSARPZ-UHFFFAOYSA-N 1 1 303.425 3.798 20 30 DHEDMO CCN(CC)c1ccc(C[N@@H+](CCC#N)CC2CC2)cc1F ZINC000769335590 1023127179 /nfs/dbraw/zinc/12/71/79/1023127179.db2.gz NYIHUTPCJSARPZ-UHFFFAOYSA-N 1 1 303.425 3.798 20 30 DHEDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769482536 1023151885 /nfs/dbraw/zinc/15/18/85/1023151885.db2.gz FQKSKYPEOCTBCG-KRWDZBQOSA-N 1 1 319.452 3.983 20 30 DHEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000769475137 1023165046 /nfs/dbraw/zinc/16/50/46/1023165046.db2.gz UKVQWXYPFPHIED-QGZVFWFLSA-N 1 1 321.420 3.697 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000876622714 1033110042 /nfs/dbraw/zinc/11/00/42/1033110042.db2.gz KZJHOOIRDKLHQC-HZPDHXFCSA-N 1 1 323.481 3.505 20 30 DHEDMO C[N@H+](Cc1cc(Cl)ccc1F)C[C@@H](O)c1ccc(C#N)cc1 ZINC000769854016 1023219287 /nfs/dbraw/zinc/21/92/87/1023219287.db2.gz LQJAHCNKFCOHFD-QGZVFWFLSA-N 1 1 318.779 3.516 20 30 DHEDMO C=CC[C@@H]1[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1(C)C ZINC000769953457 1023244112 /nfs/dbraw/zinc/24/41/12/1023244112.db2.gz NBCIVZJCJCIIET-SJORKVTESA-N 1 1 318.417 3.695 20 30 DHEDMO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000769953040 1023244713 /nfs/dbraw/zinc/24/47/13/1023244713.db2.gz JJFVCKOJRZFFBZ-ARGWCVDVSA-N 1 1 324.399 3.739 20 30 DHEDMO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000769953047 1023245050 /nfs/dbraw/zinc/24/50/50/1023245050.db2.gz JJFVCKOJRZFFBZ-JZKQVHKSSA-N 1 1 324.399 3.739 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2ccc(-n3ccnc3)nc2)CCCC1(C)C ZINC000769954570 1023245344 /nfs/dbraw/zinc/24/53/44/1023245344.db2.gz VCZWICJUAFMUTD-QGZVFWFLSA-N 1 1 310.445 3.834 20 30 DHEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC001167765699 1023269532 /nfs/dbraw/zinc/26/95/32/1023269532.db2.gz HDFLJDDZPCXFLV-ROUUACIJSA-N 1 1 300.446 3.892 20 30 DHEDMO C#CCCOc1ccc(CNc2ccc3c(c2)[nH+]cn3C)cc1 ZINC000770588788 1023328517 /nfs/dbraw/zinc/32/85/17/1023328517.db2.gz MREZSOWGNUQCCY-UHFFFAOYSA-N 1 1 305.381 3.588 20 30 DHEDMO CCCCCCC[C@H](CC)N1CC[NH+](C2CCOCC2)CC1 ZINC001172355426 1033136569 /nfs/dbraw/zinc/13/65/69/1033136569.db2.gz OGWGAGFOBRTHKF-SFHVURJKSA-N 1 1 310.526 3.922 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1ccc(N(CC)C(C)C)cc1)C1CC1 ZINC000772380979 1023551402 /nfs/dbraw/zinc/55/14/02/1023551402.db2.gz HIKXUPGTGMXPLG-UHFFFAOYSA-N 1 1 315.461 3.510 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1ccc(N(CC)C(C)C)cc1)C1CC1 ZINC000772380979 1023551404 /nfs/dbraw/zinc/55/14/04/1023551404.db2.gz HIKXUPGTGMXPLG-UHFFFAOYSA-N 1 1 315.461 3.510 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000661380567 1023581457 /nfs/dbraw/zinc/58/14/57/1023581457.db2.gz OFGSUVLIJXADPT-GOEBONIOSA-N 1 1 314.429 3.504 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000661380567 1023581464 /nfs/dbraw/zinc/58/14/64/1023581464.db2.gz OFGSUVLIJXADPT-GOEBONIOSA-N 1 1 314.429 3.504 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000661383902 1023583351 /nfs/dbraw/zinc/58/33/51/1023583351.db2.gz FWIMQMGVOUZNDH-CQSZACIVSA-N 1 1 315.392 3.588 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000661383902 1023583356 /nfs/dbraw/zinc/58/33/56/1023583356.db2.gz FWIMQMGVOUZNDH-CQSZACIVSA-N 1 1 315.392 3.588 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000859444031 1033143292 /nfs/dbraw/zinc/14/32/92/1033143292.db2.gz AJIUEFMXLPTFHO-AWEZNQCLSA-N 1 1 304.459 3.858 20 30 DHEDMO CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594511478 1023588359 /nfs/dbraw/zinc/58/83/59/1023588359.db2.gz NWDSHOYFGSZAGD-UHFFFAOYSA-N 1 1 301.478 3.555 20 30 DHEDMO CC(C)C[N@H+](C)CCCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594511478 1023588363 /nfs/dbraw/zinc/58/83/63/1023588363.db2.gz NWDSHOYFGSZAGD-UHFFFAOYSA-N 1 1 301.478 3.555 20 30 DHEDMO CC(C)C[N@@H+](C)CCCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594511478 1023588366 /nfs/dbraw/zinc/58/83/66/1023588366.db2.gz NWDSHOYFGSZAGD-UHFFFAOYSA-N 1 1 301.478 3.555 20 30 DHEDMO C=CCCCCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000785722570 1023610014 /nfs/dbraw/zinc/61/00/14/1023610014.db2.gz WFFQRMMPTOLMTR-SFHVURJKSA-N 1 1 316.445 3.845 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000876808403 1033147478 /nfs/dbraw/zinc/14/74/78/1033147478.db2.gz QYWOZBZJGJSOJY-BRWVUGGUSA-N 1 1 304.434 3.888 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000785999559 1023650175 /nfs/dbraw/zinc/65/01/75/1023650175.db2.gz WFYWMKSWDLODGM-CVEARBPZSA-N 1 1 308.466 3.674 20 30 DHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172370849 1033151844 /nfs/dbraw/zinc/15/18/44/1033151844.db2.gz BOXNZRFEVBULQB-AJYBTWMASA-N 1 1 318.505 3.844 20 30 DHEDMO C=CCC[N@@H+](C)CCOc1ccccc1C(=O)OC(C)(C)C ZINC000786439136 1023691689 /nfs/dbraw/zinc/69/16/89/1023691689.db2.gz XQKJGGHVWGWYCZ-UHFFFAOYSA-N 1 1 305.418 3.529 20 30 DHEDMO C=CCC[N@@H+](C)Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC000786439233 1023691953 /nfs/dbraw/zinc/69/19/53/1023691953.db2.gz YHTMHBSPBWCKDS-UHFFFAOYSA-N 1 1 303.837 3.901 20 30 DHEDMO C=CCC[N@H+](C)Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC000786439233 1023691955 /nfs/dbraw/zinc/69/19/55/1023691955.db2.gz YHTMHBSPBWCKDS-UHFFFAOYSA-N 1 1 303.837 3.901 20 30 DHEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000786447160 1023696424 /nfs/dbraw/zinc/69/64/24/1023696424.db2.gz UAGHSCAECJNHNH-MRXNPFEDSA-N 1 1 315.461 3.512 20 30 DHEDMO CN(C)c1ccccc1C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597133527 1023766163 /nfs/dbraw/zinc/76/61/63/1023766163.db2.gz VFMWTZXMDYPCPG-UHFFFAOYSA-N 1 1 319.452 3.940 20 30 DHEDMO C[N@@H+](C1CCCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172980232 1033490163 /nfs/dbraw/zinc/49/01/63/1033490163.db2.gz VOACHIHZWINWKA-CVEARBPZSA-N 1 1 321.465 3.543 20 30 DHEDMO C=C(Br)C[N@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000746707510 1023811799 /nfs/dbraw/zinc/81/17/99/1023811799.db2.gz HPIUJVSOWHYQLZ-AWEZNQCLSA-N 1 1 310.235 3.611 20 30 DHEDMO C=C(Br)C[N@@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000746707510 1023811803 /nfs/dbraw/zinc/81/18/03/1023811803.db2.gz HPIUJVSOWHYQLZ-AWEZNQCLSA-N 1 1 310.235 3.611 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000661874103 1023791717 /nfs/dbraw/zinc/79/17/17/1023791717.db2.gz IFZFMIGZQXEBPN-IEBWSBKVSA-N 1 1 317.860 3.973 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000048617400 1023800988 /nfs/dbraw/zinc/80/09/88/1023800988.db2.gz AQGNSSTWUBUVJA-UHFFFAOYSA-N 1 1 300.324 3.542 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000048617400 1023800991 /nfs/dbraw/zinc/80/09/91/1023800991.db2.gz AQGNSSTWUBUVJA-UHFFFAOYSA-N 1 1 300.324 3.542 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@H](C)CCCC(C)C)C2)C1=O ZINC001170076785 1023811893 /nfs/dbraw/zinc/81/18/93/1023811893.db2.gz BCZWZLLZUWRWFS-IEBWSBKVSA-N 1 1 306.494 3.702 20 30 DHEDMO C[C@H]1CCCCC[N@H+]1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172983140 1033491681 /nfs/dbraw/zinc/49/16/81/1033491681.db2.gz GYHHMVGSRVJGRU-JYJNAYRXSA-N 1 1 321.465 3.543 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000662081622 1023888132 /nfs/dbraw/zinc/88/81/32/1023888132.db2.gz WLEWFDDLDIRHEG-RRQGHBQHSA-N 1 1 318.848 3.528 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1ccccc1SC ZINC000662079071 1023888847 /nfs/dbraw/zinc/88/88/47/1023888847.db2.gz FSJSCKMCHWSKLP-KFWWJZLASA-N 1 1 316.470 3.919 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000662080269 1023889002 /nfs/dbraw/zinc/88/90/02/1023889002.db2.gz OHIYWUBZNTWFAC-XWTMOSNGSA-N 1 1 312.457 3.744 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000662078218 1023889294 /nfs/dbraw/zinc/88/92/94/1023889294.db2.gz AEOCISGPELNDEW-DFEHZGFQSA-N 1 1 316.420 3.574 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000662080262 1023890232 /nfs/dbraw/zinc/89/02/32/1023890232.db2.gz OHIYWUBZNTWFAC-XDNAFOTISA-N 1 1 312.457 3.744 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000662086479 1023895992 /nfs/dbraw/zinc/89/59/92/1023895992.db2.gz UBFFTBWYMLWPDT-OAGGEKHMSA-N 1 1 321.424 3.745 20 30 DHEDMO C#CCOc1ccccc1C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000788532265 1023906747 /nfs/dbraw/zinc/90/67/47/1023906747.db2.gz PJJXOUIWOHNUJP-UHFFFAOYSA-N 1 1 321.754 3.920 20 30 DHEDMO CC[N@@H+](Cc1cccc(Br)c1)C[C@H](C#N)CCC#N ZINC000264876713 1033172008 /nfs/dbraw/zinc/17/20/08/1033172008.db2.gz PWEOFVQNKROLDX-AWEZNQCLSA-N 1 1 320.234 3.715 20 30 DHEDMO CC[N@H+](Cc1cccc(Br)c1)C[C@H](C#N)CCC#N ZINC000264876713 1033172011 /nfs/dbraw/zinc/17/20/11/1033172011.db2.gz PWEOFVQNKROLDX-AWEZNQCLSA-N 1 1 320.234 3.715 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2ccc(N)nc2C)cc1 ZINC001167788161 1023923743 /nfs/dbraw/zinc/92/37/43/1023923743.db2.gz QESCYNLZLAHBJU-IBGZPJMESA-N 1 1 322.456 3.907 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859587938 1033175462 /nfs/dbraw/zinc/17/54/62/1033175462.db2.gz CNHOUKDAEUBHBN-IBGZPJMESA-N 1 1 300.446 3.690 20 30 DHEDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000266930435 1024046400 /nfs/dbraw/zinc/04/64/00/1024046400.db2.gz LYMQFQIAVUGQKG-LJQANCHMSA-N 1 1 309.413 3.655 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000266938944 1024047039 /nfs/dbraw/zinc/04/70/39/1024047039.db2.gz PAJDMSVKKFPAIE-GOSISDBHSA-N 1 1 300.446 3.688 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)Cc2cccc3ccccc32)n1 ZINC000789326113 1024049661 /nfs/dbraw/zinc/04/96/61/1024049661.db2.gz NNDZOEFFWSUOIP-UHFFFAOYSA-N 1 1 303.409 3.692 20 30 DHEDMO C=C(Cl)C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000129758633 1024073952 /nfs/dbraw/zinc/07/39/52/1024073952.db2.gz RTFGBPMCBAIHLF-GFCCVEGCSA-N 1 1 304.590 3.918 20 30 DHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@H](CC)CC(C)C)CCO2 ZINC001172397165 1033182235 /nfs/dbraw/zinc/18/22/35/1033182235.db2.gz JMPMHXDXADBJRQ-IPMKNSEASA-N 1 1 309.494 3.885 20 30 DHEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268637197 1024134231 /nfs/dbraw/zinc/13/42/31/1024134231.db2.gz RKRHTBMVIFXOMM-SGTLLEGYSA-N 1 1 316.351 3.563 20 30 DHEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268642377 1024138151 /nfs/dbraw/zinc/13/81/51/1024138151.db2.gz DSUBKPJDARSWGW-HEFCMCLBSA-N 1 1 324.399 3.609 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc(CC#N)cc1Cl)[NH+]1CCCCCC1 ZINC000452644656 1024151626 /nfs/dbraw/zinc/15/16/26/1024151626.db2.gz LTGIDAUROSFRIX-ZDUSSCGKSA-N 1 1 319.836 3.609 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2c(C)cc(Cl)cc2C)n1 ZINC000789762301 1024157748 /nfs/dbraw/zinc/15/77/48/1024157748.db2.gz VEMAAXINBVRKBY-UHFFFAOYSA-N 1 1 315.848 3.809 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)Cc2c(C)cc(Cl)cc2C)n1 ZINC000789762301 1024157756 /nfs/dbraw/zinc/15/77/56/1024157756.db2.gz VEMAAXINBVRKBY-UHFFFAOYSA-N 1 1 315.848 3.809 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCc3c2cccc3F)c1 ZINC000876973770 1033194063 /nfs/dbraw/zinc/19/40/63/1033194063.db2.gz PBUOYFREXJMXJI-HNNXBMFYSA-N 1 1 301.752 3.523 20 30 DHEDMO C[C@@H](CCCC#N)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001172481897 1033195979 /nfs/dbraw/zinc/19/59/79/1033195979.db2.gz ZDDCGTDNLCZVGW-FFGOWVMKSA-N 1 1 311.473 3.854 20 30 DHEDMO CCC[C@@H]([NH2+][C@@H](C)CCCC#N)C(=O)OCc1ccccc1 ZINC001172487018 1033197680 /nfs/dbraw/zinc/19/76/80/1033197680.db2.gz IWIWUEMNZBVJHY-DOTOQJQBSA-N 1 1 302.418 3.570 20 30 DHEDMO CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(C#N)cc1F ZINC000269431592 1024278035 /nfs/dbraw/zinc/27/80/35/1024278035.db2.gz PVPYHOYKMVAERT-SFHVURJKSA-N 1 1 310.372 3.873 20 30 DHEDMO C=CCC[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccccc1 ZINC000269434569 1024279760 /nfs/dbraw/zinc/27/97/60/1024279760.db2.gz QLIOAYVUNAKDCF-KRWDZBQOSA-N 1 1 310.445 3.802 20 30 DHEDMO COc1ccc(Cl)cc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000269610548 1024293676 /nfs/dbraw/zinc/29/36/76/1024293676.db2.gz LSXITIUOUMPCQX-UHFFFAOYSA-N 1 1 312.800 3.999 20 30 DHEDMO CCOc1cccc([C@@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000876992102 1033200336 /nfs/dbraw/zinc/20/03/36/1033200336.db2.gz ZISKISNUEYVKRU-GFCCVEGCSA-N 1 1 315.804 3.856 20 30 DHEDMO C=CCC[C@@H](COc1ccccc1)[NH2+][C@H](C)c1csnn1 ZINC000883229153 1024306055 /nfs/dbraw/zinc/30/60/55/1024306055.db2.gz BWXKATKKNFMCGW-KGLIPLIRSA-N 1 1 303.431 3.603 20 30 DHEDMO C=CCSCC[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453128264 1024356139 /nfs/dbraw/zinc/35/61/39/1024356139.db2.gz CJXDWKUTPILRFI-HNNXBMFYSA-N 1 1 321.877 3.672 20 30 DHEDMO C#CC[C@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccccc1 ZINC000790981174 1024423800 /nfs/dbraw/zinc/42/38/00/1024423800.db2.gz SQVSFMCQYQGZRD-IBGZPJMESA-N 1 1 301.393 3.727 20 30 DHEDMO CC(C)OCC[C@H](C)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001172456493 1033210674 /nfs/dbraw/zinc/21/06/74/1033210674.db2.gz ODRXHDCPKXBQRS-WMZOPIPTSA-N 1 1 316.445 3.605 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C1CC1 ZINC001170151843 1024460824 /nfs/dbraw/zinc/46/08/24/1024460824.db2.gz ZERWAAKPWWORDH-FOIQADDNSA-N 1 1 306.409 3.817 20 30 DHEDMO C=CCN(C(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000647741718 1024461887 /nfs/dbraw/zinc/46/18/87/1024461887.db2.gz DYVYRTKHIMVDKY-KRWDZBQOSA-N 1 1 320.436 3.652 20 30 DHEDMO C=CCN(C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000647741718 1024461894 /nfs/dbraw/zinc/46/18/94/1024461894.db2.gz DYVYRTKHIMVDKY-KRWDZBQOSA-N 1 1 320.436 3.652 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000453352265 1024478509 /nfs/dbraw/zinc/47/85/09/1024478509.db2.gz HLAWFQFJTHWXCS-UXHICEINSA-N 1 1 310.441 3.828 20 30 DHEDMO C[N@@H+]1CC[C@H](NCc2ccc(C#N)c(F)c2)C[C@@H]1c1ccccc1 ZINC000453361220 1024487383 /nfs/dbraw/zinc/48/73/83/1024487383.db2.gz APKXQZXKHKVUJK-AZUAARDMSA-N 1 1 323.415 3.622 20 30 DHEDMO C[N@H+]1CC[C@H](NCc2ccc(C#N)c(F)c2)C[C@@H]1c1ccccc1 ZINC000453361220 1024487387 /nfs/dbraw/zinc/48/73/87/1024487387.db2.gz APKXQZXKHKVUJK-AZUAARDMSA-N 1 1 323.415 3.622 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)C1CC1 ZINC000271327772 1024488389 /nfs/dbraw/zinc/48/83/89/1024488389.db2.gz AFBNDGBTDYIMCH-UHFFFAOYSA-N 1 1 306.409 3.943 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)C1CC1 ZINC000271327772 1024488400 /nfs/dbraw/zinc/48/84/00/1024488400.db2.gz AFBNDGBTDYIMCH-UHFFFAOYSA-N 1 1 306.409 3.943 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1F)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000453378225 1024497540 /nfs/dbraw/zinc/49/75/40/1024497540.db2.gz VVQOQNKVHOWHPY-CXAGYDPISA-N 1 1 304.434 3.977 20 30 DHEDMO C#CC[C@@H]([NH2+]Cc1cc(F)cc2c1OCOC2)c1ccccc1 ZINC000271648342 1024555693 /nfs/dbraw/zinc/55/56/93/1024555693.db2.gz AREWKDJACSIETP-GOSISDBHSA-N 1 1 311.356 3.546 20 30 DHEDMO C[N@@H+](Cc1ccc(Br)c(F)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000339126667 1024569634 /nfs/dbraw/zinc/56/96/34/1024569634.db2.gz SVVGVJHLGDYZQQ-CMPLNLGQSA-N 1 1 311.198 3.712 20 30 DHEDMO CN(CC[C@@H]1CCCC[N@H+]1C)[C@H](C#N)c1ccc(Cl)cc1 ZINC000585719847 1024571966 /nfs/dbraw/zinc/57/19/66/1024571966.db2.gz VTSCUWAJIQXLIS-DLBZAZTESA-N 1 1 305.853 3.711 20 30 DHEDMO C=C(C)CN(Cc1ccccc1)C(=O)CCCn1cc[nH+]c1C ZINC000791866479 1024591876 /nfs/dbraw/zinc/59/18/76/1024591876.db2.gz ZCHUZPBSWQRXEG-UHFFFAOYSA-N 1 1 311.429 3.577 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)CCC1 ZINC000930178476 1024592459 /nfs/dbraw/zinc/59/24/59/1024592459.db2.gz ACGXHMDEYHFVMD-ROUUACIJSA-N 1 1 304.478 3.989 20 30 DHEDMO C[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000106862170 1024603969 /nfs/dbraw/zinc/60/39/69/1024603969.db2.gz QQDBKMNTCNFBFK-OAHLLOKOSA-N 1 1 319.408 3.506 20 30 DHEDMO COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)[C@H](C)CCCC#N ZINC001172497307 1033228504 /nfs/dbraw/zinc/22/85/04/1033228504.db2.gz AQPKGWZEYYOODK-HZPDHXFCSA-N 1 1 302.418 3.523 20 30 DHEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C#N)c(F)c1 ZINC000792201261 1024648688 /nfs/dbraw/zinc/64/86/88/1024648688.db2.gz AEOCCGFZVKSMEH-UHFFFAOYSA-N 1 1 311.404 3.785 20 30 DHEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1F ZINC000182026942 1024648699 /nfs/dbraw/zinc/64/86/99/1024648699.db2.gz JAJAEUSYZQXVFY-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001172497290 1033226570 /nfs/dbraw/zinc/22/65/70/1033226570.db2.gz APGPIEKNWUJKHH-GFCCVEGCSA-N 1 1 315.244 3.870 20 30 DHEDMO O[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000792246995 1024653397 /nfs/dbraw/zinc/65/33/97/1024653397.db2.gz UADJVUXKFZFQNX-NHCUHLMSSA-N 1 1 305.421 3.626 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001172495036 1033226717 /nfs/dbraw/zinc/22/67/17/1033226717.db2.gz AZYIKFRJKMDJLN-CRAIPNDOSA-N 1 1 321.465 3.544 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 ZINC001172495073 1033226747 /nfs/dbraw/zinc/22/67/47/1033226747.db2.gz MLZJZQLDYJXMSV-SCTDSRPQSA-N 1 1 313.445 3.645 20 30 DHEDMO O=C(C[C@H]1CCC[N@H+]1CC#Cc1ccccc1)c1ccccc1 ZINC000792257748 1024657752 /nfs/dbraw/zinc/65/77/52/1024657752.db2.gz BFIOMZGZMLUPJD-HXUWFJFHSA-N 1 1 303.405 3.776 20 30 DHEDMO Clc1ccc(C2=CC[N@H+](CC#Cc3ccccc3)CC2)cn1 ZINC000792268456 1024657905 /nfs/dbraw/zinc/65/79/05/1024657905.db2.gz KKBSPJVKUKPIKK-UHFFFAOYSA-N 1 1 308.812 3.876 20 30 DHEDMO Clc1ccc(C2=CC[N@@H+](CC#Cc3ccccc3)CC2)cn1 ZINC000792268456 1024657908 /nfs/dbraw/zinc/65/79/08/1024657908.db2.gz KKBSPJVKUKPIKK-UHFFFAOYSA-N 1 1 308.812 3.876 20 30 DHEDMO COc1cc(C[N@H+](Cc2ccc(O)cc2)CC2CC2)ccc1C#N ZINC000349035390 1024666510 /nfs/dbraw/zinc/66/65/10/1024666510.db2.gz IQOCYMLGNSGYNG-UHFFFAOYSA-N 1 1 322.408 3.685 20 30 DHEDMO C#C[C@H](CC)Nc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000792569871 1024693270 /nfs/dbraw/zinc/69/32/70/1024693270.db2.gz YZHPRDJCRREFMT-CQSZACIVSA-N 1 1 308.385 3.513 20 30 DHEDMO C[C@H](CCCC#N)[NH+]1CC(Oc2ccccc2C(F)(F)F)C1 ZINC001172503343 1033229463 /nfs/dbraw/zinc/22/94/63/1033229463.db2.gz AETNJHFXCOSHFD-GFCCVEGCSA-N 1 1 312.335 3.851 20 30 DHEDMO CCOc1cc2c(cc1OCC)C[N@H+]([C@@H](C)CCCC#N)CC2 ZINC001172498100 1033229983 /nfs/dbraw/zinc/22/99/83/1033229983.db2.gz IUPVFLLVZARBBK-HNNXBMFYSA-N 1 1 316.445 3.924 20 30 DHEDMO COC(=O)C[C@@H](C)[N@@H+](Cc1ccccc1)[C@@H](C)CCCC#N ZINC001172497308 1033230655 /nfs/dbraw/zinc/23/06/55/1033230655.db2.gz AQPKGWZEYYOODK-JKSUJKDBSA-N 1 1 302.418 3.523 20 30 DHEDMO CCOC(=O)CCC[N@@H+](Cc1ccccc1)[C@H](C)CCCC#N ZINC001172503331 1033231103 /nfs/dbraw/zinc/23/11/03/1033231103.db2.gz FLIGUEOBOHZNPK-QGZVFWFLSA-N 1 1 316.445 3.914 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCc2ccc(Br)cc2C1 ZINC001172507585 1033233783 /nfs/dbraw/zinc/23/37/83/1033233783.db2.gz XAGFUEYERSARKI-LBPRGKRZSA-N 1 1 307.235 3.890 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCOC[C@@H]2C2CC2)CC1 ZINC001170395480 1024762787 /nfs/dbraw/zinc/76/27/87/1024762787.db2.gz MFYTWYCTWXIJCL-IOJLRTSASA-N 1 1 310.441 3.501 20 30 DHEDMO CN(C1CC1)[C@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170399188 1024763906 /nfs/dbraw/zinc/76/39/06/1024763906.db2.gz YWVNXUWXQCPYPD-KBWCOIMZSA-N 1 1 323.484 3.559 20 30 DHEDMO C[N@H+](C1CC1)[C@H]1CCN(C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170399188 1024763917 /nfs/dbraw/zinc/76/39/17/1024763917.db2.gz YWVNXUWXQCPYPD-KBWCOIMZSA-N 1 1 323.484 3.559 20 30 DHEDMO C[N@@H+](C1CC1)[C@H]1CCN(C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170399188 1024763926 /nfs/dbraw/zinc/76/39/26/1024763926.db2.gz YWVNXUWXQCPYPD-KBWCOIMZSA-N 1 1 323.484 3.559 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@@]23CCOC3)CC1 ZINC001170395126 1024764599 /nfs/dbraw/zinc/76/45/99/1024764599.db2.gz HJRFYIYYIVZZJT-MHJFOBGBSA-N 1 1 310.441 3.645 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@]3(CCCO3)C2)CC1 ZINC001170378702 1024766295 /nfs/dbraw/zinc/76/62/95/1024766295.db2.gz IQXVAGJDNBIICK-MHJFOBGBSA-N 1 1 310.441 3.645 20 30 DHEDMO C[C@]1(O)CCCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170378427 1024766562 /nfs/dbraw/zinc/76/65/62/1024766562.db2.gz AUVVQLPJIPDASM-GPJFCIFZSA-N 1 1 312.457 3.627 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC001170379295 1024768640 /nfs/dbraw/zinc/76/86/40/1024768640.db2.gz VLCKEGOGGGFUFU-GPJFCIFZSA-N 1 1 310.441 3.503 20 30 DHEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000348293311 1024770346 /nfs/dbraw/zinc/77/03/46/1024770346.db2.gz ZKBXHYPPUUUOPE-RISCZKNCSA-N 1 1 307.319 3.584 20 30 DHEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000348293311 1024770360 /nfs/dbraw/zinc/77/03/60/1024770360.db2.gz ZKBXHYPPUUUOPE-RISCZKNCSA-N 1 1 307.319 3.584 20 30 DHEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000348293309 1024771301 /nfs/dbraw/zinc/77/13/01/1024771301.db2.gz ZKBXHYPPUUUOPE-FZMZJTMJSA-N 1 1 307.319 3.584 20 30 DHEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000348293309 1024771307 /nfs/dbraw/zinc/77/13/07/1024771307.db2.gz ZKBXHYPPUUUOPE-FZMZJTMJSA-N 1 1 307.319 3.584 20 30 DHEDMO CC[N@@H+](CCC(=O)OC)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000349962773 1024773670 /nfs/dbraw/zinc/77/36/70/1024773670.db2.gz HZNLTLCNVNPDGM-UHFFFAOYSA-N 1 1 322.408 3.610 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCCC2(CN(Cc3ccccc3)C2)C1 ZINC001172509842 1033238372 /nfs/dbraw/zinc/23/83/72/1033238372.db2.gz RPJBZWKTMXJBFL-GOSISDBHSA-N 1 1 311.473 3.667 20 30 DHEDMO COc1cccc([C@H]2CSCC[N@H+]2[C@@H](C)CCCC#N)c1 ZINC001172509659 1033238559 /nfs/dbraw/zinc/23/85/59/1033238559.db2.gz NJJIPURCQSMHEU-WMLDXEAASA-N 1 1 304.459 3.867 20 30 DHEDMO C[N@H+](CCCC(C)(C)C#N)Cc1nccn1Cc1ccccc1 ZINC000350066049 1024787650 /nfs/dbraw/zinc/78/76/50/1024787650.db2.gz CSAVOBSCWSPHOR-UHFFFAOYSA-N 1 1 310.445 3.693 20 30 DHEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1nccn1Cc1ccccc1 ZINC000350066049 1024787660 /nfs/dbraw/zinc/78/76/60/1024787660.db2.gz CSAVOBSCWSPHOR-UHFFFAOYSA-N 1 1 310.445 3.693 20 30 DHEDMO COC(=O)c1cccc([C@H]2CCC[N@H+]2[C@H](C)CCCC#N)c1 ZINC001172505359 1033235478 /nfs/dbraw/zinc/23/54/78/1033235478.db2.gz LXFQUNVNXIVPOW-RHSMWYFYSA-N 1 1 300.402 3.692 20 30 DHEDMO COc1ccccc1O[C@@H]1CCC[N@H+]([C@H](C)CCCC#N)C1 ZINC001172507265 1033235599 /nfs/dbraw/zinc/23/55/99/1033235599.db2.gz RMGYHTCDELBBAU-HZPDHXFCSA-N 1 1 302.418 3.621 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)ccc1C#N ZINC000792910615 1024832168 /nfs/dbraw/zinc/83/21/68/1024832168.db2.gz FDCVOWRZGRGYCZ-LSDHHAIUSA-N 1 1 309.240 3.882 20 30 DHEDMO C[C@@]12CC[N@H+](Cc3cccc(C#N)c3F)C[C@@H]1C2(Cl)Cl ZINC000792910821 1024837395 /nfs/dbraw/zinc/83/73/95/1024837395.db2.gz WMNVWKKOYDDTND-GXTWGEPZSA-N 1 1 313.203 3.713 20 30 DHEDMO C[C@@]12CC[N@@H+](Cc3cccc(C#N)c3F)C[C@@H]1C2(Cl)Cl ZINC000792910821 1024837419 /nfs/dbraw/zinc/83/74/19/1024837419.db2.gz WMNVWKKOYDDTND-GXTWGEPZSA-N 1 1 313.203 3.713 20 30 DHEDMO C#CCCCCCCCCC(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001274796007 1024866712 /nfs/dbraw/zinc/86/67/12/1024866712.db2.gz LTWSGZVHIWSIEZ-HXUWFJFHSA-N 1 1 318.505 3.685 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3c3cccs3)n2c1 ZINC000162693365 1024870423 /nfs/dbraw/zinc/87/04/23/1024870423.db2.gz SAWUOXSSZPBPIE-OAHLLOKOSA-N 1 1 308.410 3.605 20 30 DHEDMO COC(=O)c1cc(N[NH+]=C(C)c2ccc(N)cc2C)ccc1C ZINC000793090480 1024887929 /nfs/dbraw/zinc/88/79/29/1024887929.db2.gz UYHAGAYDUJRYIU-UHFFFAOYSA-N 1 1 311.385 3.508 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@H+](CC(CC)CC)CC2)C1=O ZINC001275075487 1024902845 /nfs/dbraw/zinc/90/28/45/1024902845.db2.gz ZAUAHLWRVKIGDC-LJQANCHMSA-N 1 1 306.494 3.703 20 30 DHEDMO C[C@@H]1C(N=Nc2cccc(Cl)n2)CC[N@H+]1Cc1ccccc1 ZINC000793175915 1024921277 /nfs/dbraw/zinc/92/12/77/1024921277.db2.gz XROHWNCIVYCPDX-CYBMUJFWSA-N 1 1 314.820 3.797 20 30 DHEDMO C=CCN1CC[C@@]2(CC[N@H+](CC[C@H](C)CCC=C(C)C)C2)C1=O ZINC001275125665 1024923926 /nfs/dbraw/zinc/92/39/26/1024923926.db2.gz YXZCBXCRMNTHKM-UYAOXDASSA-N 1 1 318.505 3.869 20 30 DHEDMO CC(C)Oc1cccc(C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000120551054 1025042092 /nfs/dbraw/zinc/04/20/92/1025042092.db2.gz ZMSOTQLUAXMUSB-HXUWFJFHSA-N 1 1 324.424 3.511 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000121021961 1025068461 /nfs/dbraw/zinc/06/84/61/1025068461.db2.gz NPBCLZMZUMPLLG-MRXNPFEDSA-N 1 1 322.408 3.565 20 30 DHEDMO CC[C@](C)([NH2+]Cc1ccc(F)c(C#N)c1)c1nc(C)cs1 ZINC000121598940 1025104718 /nfs/dbraw/zinc/10/47/18/1025104718.db2.gz VOCDKCITJJBARH-INIZCTEOSA-N 1 1 303.406 3.877 20 30 DHEDMO C=CCCCCC[C@@H](C)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000793532107 1025109316 /nfs/dbraw/zinc/10/93/16/1025109316.db2.gz FMVLMPISWOXYFU-MSOLQXFVSA-N 1 1 308.510 3.602 20 30 DHEDMO C#CC[N@@H+](Cc1cnc(C(C)(C)C)nc1)[C@H]1CCc2ccccc21 ZINC000793575378 1025113929 /nfs/dbraw/zinc/11/39/29/1025113929.db2.gz WUWAYJBRWRBQPU-IBGZPJMESA-N 1 1 319.452 3.897 20 30 DHEDMO C#CC[N@H+](Cc1cnc(C(C)(C)C)nc1)[C@H]1CCc2ccccc21 ZINC000793575378 1025113935 /nfs/dbraw/zinc/11/39/35/1025113935.db2.gz WUWAYJBRWRBQPU-IBGZPJMESA-N 1 1 319.452 3.897 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134786229 1025131456 /nfs/dbraw/zinc/13/14/56/1025131456.db2.gz MWWXIDDRBLMSCP-UXHICEINSA-N 1 1 324.399 3.785 20 30 DHEDMO Cc1csc(C2([NH2+][C@@H]3CCc4ccc(C#N)cc43)CCC2)n1 ZINC000353679679 1025195224 /nfs/dbraw/zinc/19/52/24/1025195224.db2.gz RROCTIGDTRSTHL-MRXNPFEDSA-N 1 1 309.438 3.980 20 30 DHEDMO Cc1ccc(N2CCC[N@H+](Cc3cccc(F)c3C#N)CC2)cc1 ZINC000794289150 1025249476 /nfs/dbraw/zinc/24/94/76/1025249476.db2.gz ROIUFNSXCIQUJA-UHFFFAOYSA-N 1 1 323.415 3.718 20 30 DHEDMO Cc1ccc(N2CCC[N@@H+](Cc3cccc(F)c3C#N)CC2)cc1 ZINC000794289150 1025249481 /nfs/dbraw/zinc/24/94/81/1025249481.db2.gz ROIUFNSXCIQUJA-UHFFFAOYSA-N 1 1 323.415 3.718 20 30 DHEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCc2ccccc2C1 ZINC000265136875 1033271223 /nfs/dbraw/zinc/27/12/23/1033271223.db2.gz KPMPMUYEGMUBFY-IBGZPJMESA-N 1 1 306.409 3.578 20 30 DHEDMO C[N@@H+](CCC1CCOCC1)Cc1ccccc1C(C)(C)C#N ZINC000135285805 1033271576 /nfs/dbraw/zinc/27/15/76/1033271576.db2.gz ZHZUQCWIFBKWFG-UHFFFAOYSA-N 1 1 300.446 3.736 20 30 DHEDMO C[C@H]1CCC[N@H+](C(C)(C)CNc2nc(Cl)c(C#N)s2)C1 ZINC000804416568 1025294445 /nfs/dbraw/zinc/29/44/45/1025294445.db2.gz PMCKYQISHWNYCW-JTQLQIEISA-N 1 1 312.870 3.591 20 30 DHEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C1CCC(C)CC1)C2 ZINC001168211374 1025321652 /nfs/dbraw/zinc/32/16/52/1025321652.db2.gz CVOHNZVIWZGVNV-WZOJCFFYSA-N 1 1 307.478 3.639 20 30 DHEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1coc2ccccc12 ZINC001275294501 1025323366 /nfs/dbraw/zinc/32/33/66/1025323366.db2.gz XMMBAINCDOXOGT-QZTJIDSGSA-N 1 1 324.424 3.574 20 30 DHEDMO CC[C@](C)([NH2+]Cc1ccc(C#N)c(OC)c1)c1nc(C)cs1 ZINC000281467534 1025366392 /nfs/dbraw/zinc/36/63/92/1025366392.db2.gz BGRBOOHMPOKGJH-KRWDZBQOSA-N 1 1 315.442 3.747 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)CN1C ZINC001168245185 1025387915 /nfs/dbraw/zinc/38/79/15/1025387915.db2.gz YMCMTIBFRWVRNM-IRXDYDNUSA-N 1 1 319.452 3.750 20 30 DHEDMO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001168245185 1025387927 /nfs/dbraw/zinc/38/79/27/1025387927.db2.gz YMCMTIBFRWVRNM-IRXDYDNUSA-N 1 1 319.452 3.750 20 30 DHEDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001168245185 1025387935 /nfs/dbraw/zinc/38/79/35/1025387935.db2.gz YMCMTIBFRWVRNM-IRXDYDNUSA-N 1 1 319.452 3.750 20 30 DHEDMO N#CC1(C[C@H](O)C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)CCC1 ZINC000885958470 1025418768 /nfs/dbraw/zinc/41/87/68/1025418768.db2.gz HNXJXXWSXPWVBE-KRWDZBQOSA-N 1 1 318.848 3.749 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)CCC1 ZINC000885958471 1025420109 /nfs/dbraw/zinc/42/01/09/1025420109.db2.gz HNXJXXWSXPWVBE-QGZVFWFLSA-N 1 1 318.848 3.749 20 30 DHEDMO CC[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@H](C)c1cccc(OC)c1 ZINC000885965351 1025422259 /nfs/dbraw/zinc/42/22/59/1025422259.db2.gz MWCHFQBGPNEQTD-NVXWUHKLSA-N 1 1 316.445 3.523 20 30 DHEDMO C=CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC ZINC001275328685 1025437180 /nfs/dbraw/zinc/43/71/80/1025437180.db2.gz ARXOHAFVKOERMI-QZTJIDSGSA-N 1 1 306.494 3.988 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CCC1 ZINC000886006882 1025437179 /nfs/dbraw/zinc/43/71/79/1025437179.db2.gz YDHGJMUNCPEPEP-WBVHZDCISA-N 1 1 318.848 3.574 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CCCCC[C@@H]2c2ccco2)CCC1 ZINC000886014760 1025438624 /nfs/dbraw/zinc/43/86/24/1025438624.db2.gz OYSVSXNMYNFFME-JKSUJKDBSA-N 1 1 302.418 3.642 20 30 DHEDMO C=CCCCCCC[N@@H+]1CCC[C@]12CCN([C@@H](C)CC)C2=O ZINC001275329303 1025440569 /nfs/dbraw/zinc/44/05/69/1025440569.db2.gz RSJOXEKORNFVOF-PKOBYXMFSA-N 1 1 306.494 3.988 20 30 DHEDMO C#C[C@H](Nc1[nH+]cnc2[nH]ccc21)c1ccc(Cl)cc1F ZINC000804807495 1025477288 /nfs/dbraw/zinc/47/72/88/1025477288.db2.gz GYFBIPCWURGATO-ZDUSSCGKSA-N 1 1 300.724 3.537 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000125964396 1025497377 /nfs/dbraw/zinc/49/73/77/1025497377.db2.gz NYXCPVJBANPHQQ-LSDHHAIUSA-N 1 1 306.475 3.698 20 30 DHEDMO N#CCCCC[N@@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932254819 1025506764 /nfs/dbraw/zinc/50/67/64/1025506764.db2.gz FHSOLDMFMFPHDX-AWEZNQCLSA-N 1 1 308.223 3.675 20 30 DHEDMO CCc1nc([C@H](C)[NH2+]C2CC(C#N)(c3ccccc3)C2)cs1 ZINC000126870583 1025521106 /nfs/dbraw/zinc/52/11/06/1025521106.db2.gz QITVPPWMYUAGDV-UQHVZDHRSA-N 1 1 311.454 3.980 20 30 DHEDMO CCS[C@H](C)c1noc(C[N@H+](C)CCCC(C)(C)C#N)n1 ZINC000128048792 1025566807 /nfs/dbraw/zinc/56/68/07/1025566807.db2.gz HOWVDTNGCMNIDU-GFCCVEGCSA-N 1 1 310.467 3.645 20 30 DHEDMO CCS[C@H](C)c1noc(C[N@@H+](C)CCCC(C)(C)C#N)n1 ZINC000128048792 1025566815 /nfs/dbraw/zinc/56/68/15/1025566815.db2.gz HOWVDTNGCMNIDU-GFCCVEGCSA-N 1 1 310.467 3.645 20 30 DHEDMO C=C[C@@H](CC)CC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC001130142322 1025571147 /nfs/dbraw/zinc/57/11/47/1025571147.db2.gz CBEKBFBFFZSYQR-LBPRGKRZSA-N 1 1 321.490 3.841 20 30 DHEDMO C=C[C@H](CC)CC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC001130142321 1025571542 /nfs/dbraw/zinc/57/15/42/1025571542.db2.gz CBEKBFBFFZSYQR-GFCCVEGCSA-N 1 1 321.490 3.841 20 30 DHEDMO C[C@H](CSc1ccccc1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886267293 1025573556 /nfs/dbraw/zinc/57/35/56/1025573556.db2.gz JXVZFEIYWXRXTR-CVEARBPZSA-N 1 1 318.486 3.544 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143544158 1025598946 /nfs/dbraw/zinc/59/89/46/1025598946.db2.gz BTJZLAWQJNFNSI-LLVKDONJSA-N 1 1 316.298 3.850 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143544158 1025598958 /nfs/dbraw/zinc/59/89/58/1025598958.db2.gz BTJZLAWQJNFNSI-LLVKDONJSA-N 1 1 316.298 3.850 20 30 DHEDMO C#CC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000886355984 1025601658 /nfs/dbraw/zinc/60/16/58/1025601658.db2.gz RDCJAQIWWYQWCD-CABCVRRESA-N 1 1 318.848 3.629 20 30 DHEDMO C#CC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000886355984 1025601690 /nfs/dbraw/zinc/60/16/90/1025601690.db2.gz RDCJAQIWWYQWCD-CABCVRRESA-N 1 1 318.848 3.629 20 30 DHEDMO C#CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000886355985 1025603786 /nfs/dbraw/zinc/60/37/86/1025603786.db2.gz RDCJAQIWWYQWCD-GJZGRUSLSA-N 1 1 318.848 3.629 20 30 DHEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000886355985 1025603791 /nfs/dbraw/zinc/60/37/91/1025603791.db2.gz RDCJAQIWWYQWCD-GJZGRUSLSA-N 1 1 318.848 3.629 20 30 DHEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000886355854 1025603880 /nfs/dbraw/zinc/60/38/80/1025603880.db2.gz OTKFJXDKIHVLLI-KBPBESRZSA-N 1 1 313.376 3.590 20 30 DHEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000886359326 1025603942 /nfs/dbraw/zinc/60/39/42/1025603942.db2.gz ARFQHAPSQQDMJK-JKSUJKDBSA-N 1 1 309.413 3.760 20 30 DHEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000886355438 1025603982 /nfs/dbraw/zinc/60/39/82/1025603982.db2.gz IQZNACRBLLOARO-IRXDYDNUSA-N 1 1 312.457 3.791 20 30 DHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)O[C@@H](C#N)C(C)C)cc1 ZINC000805873830 1025694153 /nfs/dbraw/zinc/69/41/53/1025694153.db2.gz SLIUSQCSGISZEI-KRWDZBQOSA-N 1 1 302.418 3.623 20 30 DHEDMO COc1ccccc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000355367642 1025695469 /nfs/dbraw/zinc/69/54/69/1025695469.db2.gz PORKCRTUQMSQQM-UHFFFAOYSA-N 1 1 304.393 3.856 20 30 DHEDMO C=CCCC1(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000355373881 1025699476 /nfs/dbraw/zinc/69/94/76/1025699476.db2.gz UTXVWHJZVUZSJK-BBWFWOEESA-N 1 1 304.478 3.597 20 30 DHEDMO C=CCCC1(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)CC1 ZINC000475909746 1025699728 /nfs/dbraw/zinc/69/97/28/1025699728.db2.gz GGVQFNJUEAOKPG-MRXNPFEDSA-N 1 1 306.494 3.750 20 30 DHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000245452462 1025714844 /nfs/dbraw/zinc/71/48/44/1025714844.db2.gz QKKASMMHUJIVEY-UONOGXRCSA-N 1 1 317.458 3.504 20 30 DHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000245452462 1025714861 /nfs/dbraw/zinc/71/48/61/1025714861.db2.gz QKKASMMHUJIVEY-UONOGXRCSA-N 1 1 317.458 3.504 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573493645 1025719928 /nfs/dbraw/zinc/71/99/28/1025719928.db2.gz FCYPUCBPJDXEFO-RDTXWAMCSA-N 1 1 321.380 3.844 20 30 DHEDMO C=CCCC[C@H](COc1ccccc1)[NH2+][C@@H](C)c1csnn1 ZINC000886627344 1025748256 /nfs/dbraw/zinc/74/82/56/1025748256.db2.gz ZMQWSPZRVHVTIK-LSDHHAIUSA-N 1 1 317.458 3.993 20 30 DHEDMO COC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(Cl)c1F ZINC000806131959 1025794132 /nfs/dbraw/zinc/79/41/32/1025794132.db2.gz PPBMEEWXMDRHFU-INIZCTEOSA-N 1 1 318.779 3.828 20 30 DHEDMO COCCCC[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000052798097 1025813164 /nfs/dbraw/zinc/81/31/64/1025813164.db2.gz QFQBUKMRGADNGR-UHFFFAOYSA-N 1 1 308.425 3.987 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000614179805 1025818183 /nfs/dbraw/zinc/81/81/83/1025818183.db2.gz NIBQBHGGPBMCDU-LSDHHAIUSA-N 1 1 318.848 3.850 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000614179805 1025818189 /nfs/dbraw/zinc/81/81/89/1025818189.db2.gz NIBQBHGGPBMCDU-LSDHHAIUSA-N 1 1 318.848 3.850 20 30 DHEDMO CCCCCCCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000886731685 1025842671 /nfs/dbraw/zinc/84/26/71/1025842671.db2.gz LKMSAFLLESVNKX-GOSISDBHSA-N 1 1 302.462 3.862 20 30 DHEDMO CCCCCCCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000886731685 1025842691 /nfs/dbraw/zinc/84/26/91/1025842691.db2.gz LKMSAFLLESVNKX-GOSISDBHSA-N 1 1 302.462 3.862 20 30 DHEDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135605846 1025849949 /nfs/dbraw/zinc/84/99/49/1025849949.db2.gz DHDNUYKVVYZXTD-SFHVURJKSA-N 1 1 322.456 3.731 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccccc1C#N ZINC000353755982 1025889017 /nfs/dbraw/zinc/88/90/17/1025889017.db2.gz ULVVLPQBRQBRSD-SFHVURJKSA-N 1 1 319.452 3.655 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c(C(F)(F)F)c1 ZINC000356108368 1025948734 /nfs/dbraw/zinc/94/87/34/1025948734.db2.gz IOGZLHHESOYJMV-HOCLYGCPSA-N 1 1 324.346 3.578 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c(C(F)(F)F)c1 ZINC000356108371 1025948894 /nfs/dbraw/zinc/94/88/94/1025948894.db2.gz IOGZLHHESOYJMV-ZBFHGGJFSA-N 1 1 324.346 3.578 20 30 DHEDMO CCCCCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2 ZINC000887050954 1026035579 /nfs/dbraw/zinc/03/55/79/1026035579.db2.gz OJAGVGCBHXQUQB-DZFIZOCASA-N 1 1 319.493 3.595 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC001137638191 1026058234 /nfs/dbraw/zinc/05/82/34/1026058234.db2.gz VURQOXHQYPWXHG-NEPJUHHUSA-N 1 1 307.235 3.941 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000245544253 1026067527 /nfs/dbraw/zinc/06/75/27/1026067527.db2.gz RTFOJICSYMQJRV-QFBILLFUSA-N 1 1 306.409 3.967 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000356532313 1026074647 /nfs/dbraw/zinc/07/46/47/1026074647.db2.gz UCNWPLWFQCUMJT-INIZCTEOSA-N 1 1 317.820 3.548 20 30 DHEDMO C=CCCCCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000807572946 1026083894 /nfs/dbraw/zinc/08/38/94/1026083894.db2.gz UYEMWMJKKAGPSW-MSOLQXFVSA-N 1 1 321.509 3.780 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)cc1OCCCC#N ZINC000245564326 1026089793 /nfs/dbraw/zinc/08/97/93/1026089793.db2.gz QOHJZAQTGXBHGW-CVEARBPZSA-N 1 1 316.445 3.998 20 30 DHEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000091081149 1026098898 /nfs/dbraw/zinc/09/88/98/1026098898.db2.gz XKNNLEKOFZHVBT-GOSISDBHSA-N 1 1 324.428 3.504 20 30 DHEDMO CC[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CCOC(C)(C)C1 ZINC000289640069 1026111637 /nfs/dbraw/zinc/11/16/37/1026111637.db2.gz CYBFGVHNAIIHHN-MRXNPFEDSA-N 1 1 311.429 3.590 20 30 DHEDMO C=C(Br)C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000222051067 1026128383 /nfs/dbraw/zinc/12/83/83/1026128383.db2.gz QMTJUZLPVUMNFG-UHFFFAOYSA-N 1 1 310.113 3.583 20 30 DHEDMO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000532957856 1026155431 /nfs/dbraw/zinc/15/54/31/1026155431.db2.gz KHDPTGXVKDGQIO-KKSFZXQISA-N 1 1 320.436 3.961 20 30 DHEDMO N#CCSCCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000121888795 1026162153 /nfs/dbraw/zinc/16/21/53/1026162153.db2.gz ZJJZNKDUUKYWKE-JKSUJKDBSA-N 1 1 322.474 3.595 20 30 DHEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1CCC1CCCCC1 ZINC000356973415 1026254357 /nfs/dbraw/zinc/25/43/57/1026254357.db2.gz CKWLDZZVXNMYQU-SFHVURJKSA-N 1 1 319.493 3.573 20 30 DHEDMO Cc1ccc(Br)cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397842555 1026275701 /nfs/dbraw/zinc/27/57/01/1026275701.db2.gz YOSXTNSZBQBTEH-CYBMUJFWSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1ccc(Br)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397842555 1026275716 /nfs/dbraw/zinc/27/57/16/1026275716.db2.gz YOSXTNSZBQBTEH-CYBMUJFWSA-N 1 1 307.235 3.883 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(C#N)cc1 ZINC000398007410 1026287527 /nfs/dbraw/zinc/28/75/27/1026287527.db2.gz BOKBQRVDOJQRLA-OXQOHEQNSA-N 1 1 305.425 3.881 20 30 DHEDMO COCC[N@@H+](Cc1cccs1)Cc1ccc(C#N)cc1C ZINC000614396078 1026288762 /nfs/dbraw/zinc/28/87/62/1026288762.db2.gz UZTPWHLOVGEYOV-UHFFFAOYSA-N 1 1 300.427 3.577 20 30 DHEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1ccc(C#N)cc1C ZINC000614396077 1026290089 /nfs/dbraw/zinc/29/00/89/1026290089.db2.gz UYGFGPWMXZFCAL-UHFFFAOYSA-N 1 1 324.424 3.906 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000614400915 1026296100 /nfs/dbraw/zinc/29/61/00/1026296100.db2.gz OXISPRJJRVCAQH-GUDVDZBRSA-N 1 1 312.457 3.892 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000614400920 1026296299 /nfs/dbraw/zinc/29/62/99/1026296299.db2.gz OXISPRJJRVCAQH-QRVBRYPASA-N 1 1 312.457 3.892 20 30 DHEDMO C#Cc1ccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)cc1 ZINC000809575651 1026551851 /nfs/dbraw/zinc/55/18/51/1026551851.db2.gz JVKBVMLVNMNSKD-NRFANRHFSA-N 1 1 305.421 3.540 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)cc1 ZINC000809700471 1026587468 /nfs/dbraw/zinc/58/74/68/1026587468.db2.gz HEKPXEMULZQPBG-HKUYNNGSSA-N 1 1 315.457 3.604 20 30 DHEDMO C#C[C@H]([NH2+]Cc1csc(-c2ccc(OC)cc2)n1)C(C)C ZINC000809684594 1026590819 /nfs/dbraw/zinc/59/08/19/1026590819.db2.gz IBFLNIBHMCFAKF-INIZCTEOSA-N 1 1 300.427 3.566 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000809764169 1026620366 /nfs/dbraw/zinc/62/03/66/1026620366.db2.gz UBWFTNVMZSRWDG-OAHLLOKOSA-N 1 1 307.397 3.537 20 30 DHEDMO C#CC[N@H+](C[C@H]1CCC[C@@H](C(F)(F)F)O1)C1CCCCC1 ZINC001307445222 1026652413 /nfs/dbraw/zinc/65/24/13/1026652413.db2.gz WGMCFIUMLXTNPI-CABCVRRESA-N 1 1 303.368 3.754 20 30 DHEDMO C=C(C)C[N@@H+](C)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000809973716 1026652694 /nfs/dbraw/zinc/65/26/94/1026652694.db2.gz YYNIOYUKHQRKLR-WKILWMFISA-N 1 1 310.482 3.825 20 30 DHEDMO CC(C)n1cc2c(n1)[C@@H]([NH2+][C@H]1CCc3ccc(C#N)cc31)CCC2 ZINC000810236657 1026725093 /nfs/dbraw/zinc/72/50/93/1026725093.db2.gz KSLZYOMYDVLYTR-OALUTQOASA-N 1 1 320.440 3.990 20 30 DHEDMO C=CCSc1ccccc1C(=O)O[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000810850894 1026874990 /nfs/dbraw/zinc/87/49/90/1026874990.db2.gz OZQWYQFOKNUUAE-CABCVRRESA-N 1 1 317.454 3.748 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1F ZINC000420944272 1026888103 /nfs/dbraw/zinc/88/81/03/1026888103.db2.gz JIZCCZKFJWKUPX-NSHDSACASA-N 1 1 300.299 3.862 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c1F ZINC000420944272 1026888108 /nfs/dbraw/zinc/88/81/08/1026888108.db2.gz JIZCCZKFJWKUPX-NSHDSACASA-N 1 1 300.299 3.862 20 30 DHEDMO CC(CCc1ccc(F)cc1)=[NH+]n1cc(Br)cn1 ZINC000752742225 1026972052 /nfs/dbraw/zinc/97/20/52/1026972052.db2.gz BWNGJDDMDSQATH-UHFFFAOYSA-N 1 1 310.170 3.642 20 30 DHEDMO CC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000811511849 1027026936 /nfs/dbraw/zinc/02/69/36/1027026936.db2.gz VZUAHKOKGHFVAN-NVXWUHKLSA-N 1 1 316.445 3.757 20 30 DHEDMO C#C[C@H]([NH2+]Cc1cnc2c(C)cccn12)c1ccc(Cl)cc1 ZINC000811516279 1027029238 /nfs/dbraw/zinc/02/92/38/1027029238.db2.gz INOSAHHIXVQOOP-KRWDZBQOSA-N 1 1 309.800 3.760 20 30 DHEDMO O=[N+]([O-])c1cc(C=[NH+]OC/C=C/Cl)ccc1N1CCCCC1 ZINC000811670067 1027059511 /nfs/dbraw/zinc/05/95/11/1027059511.db2.gz MTNISOZYYJUKDB-RCYQAAHFSA-N 1 1 323.780 3.688 20 30 DHEDMO CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1Cc1cncc(C#N)c1 ZINC000931553014 1027165814 /nfs/dbraw/zinc/16/58/14/1027165814.db2.gz APBSOFQTAALBNV-QGZVFWFLSA-N 1 1 309.388 3.860 20 30 DHEDMO C=CCSc1ccccc1C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000362390426 1027182197 /nfs/dbraw/zinc/18/21/97/1027182197.db2.gz SMXPMSCFMBJPNU-OAHLLOKOSA-N 1 1 318.486 3.569 20 30 DHEDMO Cc1nc(CC[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cs1 ZINC000362407753 1027192495 /nfs/dbraw/zinc/19/24/95/1027192495.db2.gz MXZSMAPMRTVXJG-QZTJIDSGSA-N 1 1 311.454 3.766 20 30 DHEDMO Cc1nc(CC[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cs1 ZINC000362407753 1027192500 /nfs/dbraw/zinc/19/25/00/1027192500.db2.gz MXZSMAPMRTVXJG-QZTJIDSGSA-N 1 1 311.454 3.766 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000058754377 1027228712 /nfs/dbraw/zinc/22/87/12/1027228712.db2.gz SOYKVXPPZIQHQT-UHFFFAOYSA-N 1 1 300.324 3.542 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000058754377 1027228729 /nfs/dbraw/zinc/22/87/29/1027228729.db2.gz SOYKVXPPZIQHQT-UHFFFAOYSA-N 1 1 300.324 3.542 20 30 DHEDMO C=CCCC[N@H+](C)CN1C[C@H](c2cccc(Cl)c2)CC1=O ZINC000812282995 1027233114 /nfs/dbraw/zinc/23/31/14/1027233114.db2.gz DUAOHVWQSKSJNP-OAHLLOKOSA-N 1 1 306.837 3.511 20 30 DHEDMO Cc1cccc(CC[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000572872876 1027238400 /nfs/dbraw/zinc/23/84/00/1027238400.db2.gz VOPJHSIULBDLOF-PMACEKPBSA-N 1 1 305.425 3.704 20 30 DHEDMO C[N@@H+](CCC(C)(C)C#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273506979 1027249696 /nfs/dbraw/zinc/24/96/96/1027249696.db2.gz OCKSYKWMJQLXNL-IRXDYDNUSA-N 1 1 304.409 3.917 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCc3nc[nH]c3[C@@H]2c2ccccc2)CC1 ZINC000931796127 1027259414 /nfs/dbraw/zinc/25/94/14/1027259414.db2.gz CJIYLOHHNDTFKK-PMTKGXAQSA-N 1 1 320.440 3.687 20 30 DHEDMO O[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000747788624 1027277017 /nfs/dbraw/zinc/27/70/17/1027277017.db2.gz XRGGXZOUMQKKBN-SFTDATJTSA-N 1 1 323.411 3.765 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000931907094 1027295482 /nfs/dbraw/zinc/29/54/82/1027295482.db2.gz CJYDXLWKHTZZSV-DQLDELGASA-N 1 1 318.420 3.519 20 30 DHEDMO C=C(C)COc1cc(C[NH+]2CC3(CCC3(F)F)C2)ccc1OC ZINC000562214866 1027299756 /nfs/dbraw/zinc/29/97/56/1027299756.db2.gz YQERAPITGGDLQC-UHFFFAOYSA-N 1 1 323.383 3.881 20 30 DHEDMO C=CCCCCCCCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000812494673 1027302001 /nfs/dbraw/zinc/30/20/01/1027302001.db2.gz PFQIZFLTQYWBNA-QZTJIDSGSA-N 1 1 321.509 3.639 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931916827 1027304204 /nfs/dbraw/zinc/30/42/04/1027304204.db2.gz WSRIKQDJMAWALO-BXUZGUMPSA-N 1 1 312.310 3.986 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)N[C@@H](C)C[N@H+](CC)CCC ZINC000562254094 1027326250 /nfs/dbraw/zinc/32/62/50/1027326250.db2.gz MLYLOSVNWYKPLA-HNNXBMFYSA-N 1 1 323.506 3.566 20 30 DHEDMO Cc1nccn1CCCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000362722540 1027358301 /nfs/dbraw/zinc/35/83/01/1027358301.db2.gz FEYVNZXZBCGLAI-UXHICEINSA-N 1 1 322.456 3.744 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932192032 1027404040 /nfs/dbraw/zinc/40/40/40/1027404040.db2.gz ZYHLWQGQEFDYMM-CYBMUJFWSA-N 1 1 303.475 3.751 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)s1 ZINC000932199708 1027410925 /nfs/dbraw/zinc/41/09/25/1027410925.db2.gz ZTXVUYMROIECBV-GFCCVEGCSA-N 1 1 303.456 3.531 20 30 DHEDMO CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812849787 1027444843 /nfs/dbraw/zinc/44/48/43/1027444843.db2.gz JPHFFJRGEPYOOG-MGPUTAFESA-N 1 1 324.424 3.511 20 30 DHEDMO CC[N@@H+](Cc1cccc(C#N)c1F)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812848245 1027446981 /nfs/dbraw/zinc/44/69/81/1027446981.db2.gz IMCQINDTHUXJFY-LIRRHRJNSA-N 1 1 312.388 3.641 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1CCCCOc1c(OC)cccc1OC ZINC000575090101 1027452544 /nfs/dbraw/zinc/45/25/44/1027452544.db2.gz LJRUGSWENGLSQL-INIZCTEOSA-N 1 1 319.445 3.903 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@@H+](Cc2cccc(F)c2)C2CCC2)CCC1 ZINC000932403385 1027482781 /nfs/dbraw/zinc/48/27/81/1027482781.db2.gz TVANKISYPSMLMG-GOSISDBHSA-N 1 1 316.420 3.625 20 30 DHEDMO C#CC[N@H+](Cc1nnc(-c2cccc(Cl)c2)o1)C(C)(C)C ZINC000932464672 1027504838 /nfs/dbraw/zinc/50/48/38/1027504838.db2.gz SCCLYWFHFAHTPL-UHFFFAOYSA-N 1 1 303.793 3.624 20 30 DHEDMO C#CC[N@@H+](Cc1nnc(-c2cccc(Cl)c2)o1)C(C)(C)C ZINC000932464672 1027504905 /nfs/dbraw/zinc/50/49/05/1027504905.db2.gz SCCLYWFHFAHTPL-UHFFFAOYSA-N 1 1 303.793 3.624 20 30 DHEDMO CCc1ccccc1[C@@H](N)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423496410 1027574470 /nfs/dbraw/zinc/57/44/70/1027574470.db2.gz DQUNGNDKLFPDTI-DJJJIMSYSA-N 1 1 311.404 3.610 20 30 DHEDMO N#Cc1csc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)n1 ZINC000576511464 1027625368 /nfs/dbraw/zinc/62/53/68/1027625368.db2.gz ODVQVAJYJZRUGK-BRWVUGGUSA-N 1 1 309.438 3.783 20 30 DHEDMO C=CCN1CC[C@]2(CC[N@H+](CCCCC/C=C\CC)C2)C1=O ZINC001275863054 1027764112 /nfs/dbraw/zinc/76/41/12/1027764112.db2.gz ULZWTUBWKPWUQD-VOFKWLDRSA-N 1 1 304.478 3.623 20 30 DHEDMO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933613193 1027773364 /nfs/dbraw/zinc/77/33/64/1027773364.db2.gz RUBMZCLCCZXUPL-ZDUSSCGKSA-N 1 1 322.412 3.759 20 30 DHEDMO CC(C)n1ccnc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933612027 1027774496 /nfs/dbraw/zinc/77/44/96/1027774496.db2.gz WFKHVZWVJDHSFV-UHFFFAOYSA-N 1 1 308.429 3.715 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933630051 1027779575 /nfs/dbraw/zinc/77/95/75/1027779575.db2.gz VOTUKQZFNCCCNE-FOIQADDNSA-N 1 1 317.392 3.564 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933630051 1027779594 /nfs/dbraw/zinc/77/95/94/1027779594.db2.gz VOTUKQZFNCCCNE-FOIQADDNSA-N 1 1 317.392 3.564 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@H+](Cc3ccc(CF)cc3)CCO2)cc1 ZINC000933626342 1027780602 /nfs/dbraw/zinc/78/06/02/1027780602.db2.gz ABOBNJAQKSHMLV-LJQANCHMSA-N 1 1 310.372 3.601 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@@H+](Cc3ccc(CF)cc3)CCO2)cc1 ZINC000933626342 1027780620 /nfs/dbraw/zinc/78/06/20/1027780620.db2.gz ABOBNJAQKSHMLV-LJQANCHMSA-N 1 1 310.372 3.601 20 30 DHEDMO C=CC1(CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC000933648149 1027786591 /nfs/dbraw/zinc/78/65/91/1027786591.db2.gz SAURKWFAPYPKJN-ALOPSCKCSA-N 1 1 304.478 3.645 20 30 DHEDMO COC(=O)c1oc([C@H](C)[N@H+](C)Cc2cc(C#N)cs2)cc1C ZINC000933774389 1027820204 /nfs/dbraw/zinc/82/02/04/1027820204.db2.gz POQHNLVZYCJPBZ-NSHDSACASA-N 1 1 318.398 3.501 20 30 DHEDMO COC(=O)c1oc([C@H](C)[N@@H+](C)Cc2cc(C#N)cs2)cc1C ZINC000933774389 1027820222 /nfs/dbraw/zinc/82/02/22/1027820222.db2.gz POQHNLVZYCJPBZ-NSHDSACASA-N 1 1 318.398 3.501 20 30 DHEDMO C#CC[N@@H+](CC)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000778221957 1027901073 /nfs/dbraw/zinc/90/10/73/1027901073.db2.gz YWCLDBKQFMFKMP-UHFFFAOYSA-N 1 1 320.392 3.959 20 30 DHEDMO C#CC[N@H+](CC)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000778221957 1027901086 /nfs/dbraw/zinc/90/10/86/1027901086.db2.gz YWCLDBKQFMFKMP-UHFFFAOYSA-N 1 1 320.392 3.959 20 30 DHEDMO C=CCC(C)(C)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000814127529 1027906450 /nfs/dbraw/zinc/90/64/50/1027906450.db2.gz LHRZNKNIGDWEDH-HXUWFJFHSA-N 1 1 314.473 3.617 20 30 DHEDMO C=CCC(C)(C)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000814127528 1027907981 /nfs/dbraw/zinc/90/79/81/1027907981.db2.gz LHRZNKNIGDWEDH-FQEVSTJZSA-N 1 1 314.473 3.617 20 30 DHEDMO Cc1ccncc1C1=CC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000365254993 1027911013 /nfs/dbraw/zinc/91/10/13/1027911013.db2.gz JYADOJSYZQVLHY-UHFFFAOYSA-N 1 1 307.372 3.690 20 30 DHEDMO Cc1ccncc1C1=CC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000365254993 1027911029 /nfs/dbraw/zinc/91/10/29/1027911029.db2.gz JYADOJSYZQVLHY-UHFFFAOYSA-N 1 1 307.372 3.690 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000779031689 1027934621 /nfs/dbraw/zinc/93/46/21/1027934621.db2.gz FQOPLHKORBBTOI-QZTJIDSGSA-N 1 1 310.372 3.803 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000563215732 1027936227 /nfs/dbraw/zinc/93/62/27/1027936227.db2.gz PDGSATWCKMZTHR-SFHVURJKSA-N 1 1 321.380 3.674 20 30 DHEDMO CC[C@H](C)[C@@H](C)[N@@H+](CCOc1ccc(C#N)cc1OC)C1CC1 ZINC000577906336 1027984168 /nfs/dbraw/zinc/98/41/68/1027984168.db2.gz HBYRDDSOEGWQBV-LSDHHAIUSA-N 1 1 316.445 3.845 20 30 DHEDMO C=CC[C@H]1CC[N@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000934472145 1028016286 /nfs/dbraw/zinc/01/62/86/1028016286.db2.gz OZQYZVXKLVBLOH-ZDUSSCGKSA-N 1 1 323.318 3.906 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000934472145 1028016303 /nfs/dbraw/zinc/01/63/03/1028016303.db2.gz OZQYZVXKLVBLOH-ZDUSSCGKSA-N 1 1 323.318 3.906 20 30 DHEDMO COc1cc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc2ccccc21 ZINC000934633629 1028058683 /nfs/dbraw/zinc/05/86/83/1028058683.db2.gz AHCYYUQFRDWMJJ-HUUCEWRRSA-N 1 1 307.397 3.943 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000934878526 1028136742 /nfs/dbraw/zinc/13/67/42/1028136742.db2.gz NGQAIEKQIDCMOQ-HNNXBMFYSA-N 1 1 301.434 3.525 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814672160 1028147631 /nfs/dbraw/zinc/14/76/31/1028147631.db2.gz BPXQANDAPSOOKG-IAGOWNOFSA-N 1 1 322.493 3.922 20 30 DHEDMO C=CC[C@@H](C(=O)N[C@H](C)C[N@H+](CC)CCC)c1ccccc1 ZINC000563758498 1028189343 /nfs/dbraw/zinc/18/93/43/1028189343.db2.gz CVRNAYKUEWXRBP-SJLPKXTDSA-N 1 1 302.462 3.583 20 30 DHEDMO CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC[C@H](Oc4ccccc4C#N)C3)C[C@@H]21 ZINC001170762213 1028190702 /nfs/dbraw/zinc/19/07/02/1028190702.db2.gz SBUFTXNYFUBCQY-XLAORIBOSA-N 1 1 310.441 3.836 20 30 DHEDMO CC(=[NH+]Nc1cccc2c1CCCC2)c1cc([N+](=O)[O-])ccc1N ZINC000814811370 1028222026 /nfs/dbraw/zinc/22/20/26/1028222026.db2.gz BQXIAHNKUZZUOT-UHFFFAOYSA-N 1 1 324.384 3.892 20 30 DHEDMO COCC[N@@H+](Cc1csc(C)c1)Cc1ccc(C#N)cc1 ZINC000449012597 1028245004 /nfs/dbraw/zinc/24/50/04/1028245004.db2.gz FGZQGSLZHKGUQH-UHFFFAOYSA-N 1 1 300.427 3.577 20 30 DHEDMO COc1ccccc1CO[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814923347 1028283938 /nfs/dbraw/zinc/28/39/38/1028283938.db2.gz FBOLPTQNLRJMHK-CYBMUJFWSA-N 1 1 308.381 3.919 20 30 DHEDMO C=CCOCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000815059952 1028344228 /nfs/dbraw/zinc/34/42/28/1028344228.db2.gz FSGLSHVMUBMGOQ-JKSUJKDBSA-N 1 1 309.475 3.619 20 30 DHEDMO C[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@H]1C)c1ccc(C#N)s1 ZINC000368582701 1028377981 /nfs/dbraw/zinc/37/79/81/1028377981.db2.gz GLIVFCWOBLNFGM-PUTJDCORSA-N 1 1 302.374 3.932 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C3CCCC3)cc2)C1=O ZINC000564253368 1028382084 /nfs/dbraw/zinc/38/20/84/1028382084.db2.gz YYHOVIJVUUNYQK-IBGZPJMESA-N 1 1 312.457 3.563 20 30 DHEDMO C#CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815202431 1028424320 /nfs/dbraw/zinc/42/43/20/1028424320.db2.gz RIKYFGCMSKCMSN-IAGOWNOFSA-N 1 1 320.477 3.511 20 30 DHEDMO C[N@@H+](CCCC#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000368925576 1028426238 /nfs/dbraw/zinc/42/62/38/1028426238.db2.gz TUODZVIYTWDJTA-CYBMUJFWSA-N 1 1 309.207 3.508 20 30 DHEDMO COc1cc([C@@H]2CCC[N@H+]2CCCCC#N)cc(OC)c1OC ZINC000368955218 1028427207 /nfs/dbraw/zinc/42/72/07/1028427207.db2.gz SIEOZVONZQVYKL-HNNXBMFYSA-N 1 1 318.417 3.543 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)ccc1C#N ZINC000369114218 1028447847 /nfs/dbraw/zinc/44/78/47/1028447847.db2.gz ABXGOJKFXSMQBK-SFHVURJKSA-N 1 1 307.397 3.607 20 30 DHEDMO N#Cc1ccc(OCCC[N@@H+]2CC=C(c3cccnc3)CC2)cc1 ZINC000369263920 1028465146 /nfs/dbraw/zinc/46/51/46/1028465146.db2.gz GOHAAKMVOFDYLB-UHFFFAOYSA-N 1 1 319.408 3.511 20 30 DHEDMO C=CCSc1ccccc1C(=O)N[C@@H](C)C[N@H+](CC)CCC ZINC000564598107 1028480029 /nfs/dbraw/zinc/48/00/29/1028480029.db2.gz DZLKYNWNHWXEIS-HNNXBMFYSA-N 1 1 320.502 3.815 20 30 DHEDMO C=CCCC[N@@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000564916804 1028518495 /nfs/dbraw/zinc/51/84/95/1028518495.db2.gz SUYWAGDUOHBDAL-KRWDZBQOSA-N 1 1 318.436 3.510 20 30 DHEDMO C=CCCCC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000370067523 1028561935 /nfs/dbraw/zinc/56/19/35/1028561935.db2.gz ZKEDGZOXXLUEIT-CRAIPNDOSA-N 1 1 320.864 3.805 20 30 DHEDMO C[N@H+](CCCCC#N)[C@@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000370077956 1028562468 /nfs/dbraw/zinc/56/24/68/1028562468.db2.gz PHMHDXQMQHEWLF-INIZCTEOSA-N 1 1 314.820 3.845 20 30 DHEDMO C[N@@H+](CCCCC#N)[C@@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000370077956 1028562472 /nfs/dbraw/zinc/56/24/72/1028562472.db2.gz PHMHDXQMQHEWLF-INIZCTEOSA-N 1 1 314.820 3.845 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(N(C)CCC#N)cc1 ZINC000779167154 1028592062 /nfs/dbraw/zinc/59/20/62/1028592062.db2.gz COYWLLWLPHGOPU-UHFFFAOYSA-N 1 1 323.440 3.860 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)cc1OC ZINC000565512563 1028597461 /nfs/dbraw/zinc/59/74/61/1028597461.db2.gz AQUUGEOSRGOOJH-GOSISDBHSA-N 1 1 301.430 3.880 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccsc2)C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000370564503 1028618111 /nfs/dbraw/zinc/61/81/11/1028618111.db2.gz BNDMBTCTAHEMDY-FSPWUOQZSA-N 1 1 312.438 3.531 20 30 DHEDMO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)c(F)c1)CC2 ZINC000370631783 1028626753 /nfs/dbraw/zinc/62/67/53/1028626753.db2.gz SOAUPGWVTRWFOJ-UHFFFAOYSA-N 1 1 322.383 3.501 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000565860995 1028643902 /nfs/dbraw/zinc/64/39/02/1028643902.db2.gz JIZRQVHSRJFGOU-FQEVSTJZSA-N 1 1 322.383 3.667 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000565860995 1028643912 /nfs/dbraw/zinc/64/39/12/1028643912.db2.gz JIZRQVHSRJFGOU-FQEVSTJZSA-N 1 1 322.383 3.667 20 30 DHEDMO C=C[C@@H](CC(=O)N[C@@H](C)C[N@H+](C)CCCC)c1ccccc1 ZINC000565858305 1028644505 /nfs/dbraw/zinc/64/45/05/1028644505.db2.gz HIGRSRUSDBAFOA-IRXDYDNUSA-N 1 1 302.462 3.583 20 30 DHEDMO C=C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CCCC)c1ccccc1 ZINC000565858304 1028645596 /nfs/dbraw/zinc/64/55/96/1028645596.db2.gz HIGRSRUSDBAFOA-DLBZAZTESA-N 1 1 302.462 3.583 20 30 DHEDMO C=CCCCC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000565922354 1028653606 /nfs/dbraw/zinc/65/36/06/1028653606.db2.gz JCZJPFYTNKLLQU-IBGZPJMESA-N 1 1 314.473 3.761 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000449458748 1028661764 /nfs/dbraw/zinc/66/17/64/1028661764.db2.gz WQLUJZWAHVPGDA-ZCNNSNEGSA-N 1 1 315.457 3.767 20 30 DHEDMO C[C@H](/N=C\c1ccccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778518496 1028682876 /nfs/dbraw/zinc/68/28/76/1028682876.db2.gz QFLRVXMJNQKATB-JSAODNLDSA-N 1 1 308.425 3.722 20 30 DHEDMO Cc1cc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(C)s1 ZINC000371290267 1028687810 /nfs/dbraw/zinc/68/78/10/1028687810.db2.gz BCFOTJRFIYXSSN-GOSISDBHSA-N 1 1 312.438 3.810 20 30 DHEDMO Cc1cc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c(C)s1 ZINC000371290267 1028687816 /nfs/dbraw/zinc/68/78/16/1028687816.db2.gz BCFOTJRFIYXSSN-GOSISDBHSA-N 1 1 312.438 3.810 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OCC)[C@H](C)C2)cc1OC ZINC000449489754 1028698892 /nfs/dbraw/zinc/69/88/92/1028698892.db2.gz AXVDQJLNNNNHIN-WBVHZDCISA-N 1 1 319.445 3.507 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000076736014 1028703251 /nfs/dbraw/zinc/70/32/51/1028703251.db2.gz ABMVYNLVLCLTAM-GFCCVEGCSA-N 1 1 312.360 3.513 20 30 DHEDMO N#CCCn1cc(C[N@H+]2CCC[C@@H]2C2CC2)c(-c2ccccc2)n1 ZINC000371418319 1028705480 /nfs/dbraw/zinc/70/54/80/1028705480.db2.gz CAPZSTSMZGLFGO-LJQANCHMSA-N 1 1 320.440 3.838 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc2nccn21 ZINC000371478268 1028723498 /nfs/dbraw/zinc/72/34/98/1028723498.db2.gz VIMMPNPBQNGYAY-RBUKOAKNSA-N 1 1 316.408 3.606 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc2nccn21 ZINC000371478268 1028723509 /nfs/dbraw/zinc/72/35/09/1028723509.db2.gz VIMMPNPBQNGYAY-RBUKOAKNSA-N 1 1 316.408 3.606 20 30 DHEDMO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000528744455 1028750060 /nfs/dbraw/zinc/75/00/60/1028750060.db2.gz LJHUUQNASFVXMC-HNNXBMFYSA-N 1 1 315.417 3.922 20 30 DHEDMO C=C[C@@H](CC)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001135462220 1028783373 /nfs/dbraw/zinc/78/33/73/1028783373.db2.gz XWFZPGBJFYUOMD-BBRMVZONSA-N 1 1 308.853 3.661 20 30 DHEDMO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000566805589 1028784015 /nfs/dbraw/zinc/78/40/15/1028784015.db2.gz RWUGQFCCUWSLOE-BFYDXBDKSA-N 1 1 323.440 3.687 20 30 DHEDMO N#CCCC1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000566853035 1028793745 /nfs/dbraw/zinc/79/37/45/1028793745.db2.gz WCNJMIDLNJHETJ-UHFFFAOYSA-N 1 1 318.371 3.947 20 30 DHEDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000449567513 1028811102 /nfs/dbraw/zinc/81/11/02/1028811102.db2.gz WOURNKIMAQSUPO-LLVKDONJSA-N 1 1 322.334 3.644 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2cnc(CC)o2)cc1Cl ZINC000449608004 1028841918 /nfs/dbraw/zinc/84/19/18/1028841918.db2.gz DCCNINYSRGFMOW-UHFFFAOYSA-N 1 1 306.793 3.745 20 30 DHEDMO C=CCCCC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816453710 1028875689 /nfs/dbraw/zinc/87/56/89/1028875689.db2.gz SZAMVWFCLJHPSF-WMZOPIPTSA-N 1 1 301.430 3.797 20 30 DHEDMO C#CCCCCC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816450899 1028888066 /nfs/dbraw/zinc/88/80/66/1028888066.db2.gz DXTAKTXSQJNJFX-IEBWSBKVSA-N 1 1 313.441 3.634 20 30 DHEDMO C=CCC[C@H]([NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)C(=O)OCC ZINC000449657185 1028889520 /nfs/dbraw/zinc/88/95/20/1028889520.db2.gz NYPOIOJMWROFME-JQHSSLGASA-N 1 1 316.445 3.595 20 30 DHEDMO C[C@H]1[C@@H](OC(=O)CC(C)(C)C#N)CCC[N@H+]1Cc1ccccc1 ZINC000816472109 1028902151 /nfs/dbraw/zinc/90/21/51/1028902151.db2.gz VAECWTOVMCITNE-RDJZCZTQSA-N 1 1 314.429 3.523 20 30 DHEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1Cl)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000372986244 1028929820 /nfs/dbraw/zinc/92/98/20/1028929820.db2.gz VQLDPTMIZZVYGP-LYRGGWFBSA-N 1 1 322.811 3.596 20 30 DHEDMO C#CCOc1ccccc1C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000816621660 1028968790 /nfs/dbraw/zinc/96/87/90/1028968790.db2.gz MWIPXABOAHULQT-IBGZPJMESA-N 1 1 306.409 3.677 20 30 DHEDMO C#CCOc1ccccc1C[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000816621660 1028968804 /nfs/dbraw/zinc/96/88/04/1028968804.db2.gz MWIPXABOAHULQT-IBGZPJMESA-N 1 1 306.409 3.677 20 30 DHEDMO C=CCC1(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CCCC1 ZINC000449813868 1029025739 /nfs/dbraw/zinc/02/57/39/1029025739.db2.gz ZKXJOTULPAIAKW-FGTMMUONSA-N 1 1 318.505 3.987 20 30 DHEDMO CO[C@]1(C)CCC[N@@H+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000373464088 1029052824 /nfs/dbraw/zinc/05/28/24/1029052824.db2.gz CXRAIUOFYHLGGC-LJQANCHMSA-N 1 1 316.445 3.760 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000411306078 1029093357 /nfs/dbraw/zinc/09/33/57/1029093357.db2.gz LACIKBABWYSJFJ-AZUAARDMSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@@H](CCC#N)[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000411306078 1029093370 /nfs/dbraw/zinc/09/33/70/1029093370.db2.gz LACIKBABWYSJFJ-AZUAARDMSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@@H](CCC#N)[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000411306078 1029093386 /nfs/dbraw/zinc/09/33/86/1029093386.db2.gz LACIKBABWYSJFJ-AZUAARDMSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@@H](CCC#N)[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000411306078 1029093398 /nfs/dbraw/zinc/09/33/98/1029093398.db2.gz LACIKBABWYSJFJ-AZUAARDMSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000411306078 1029093415 /nfs/dbraw/zinc/09/34/15/1029093415.db2.gz LACIKBABWYSJFJ-AZUAARDMSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@@H](CCC#N)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000411306078 1029093429 /nfs/dbraw/zinc/09/34/29/1029093429.db2.gz LACIKBABWYSJFJ-AZUAARDMSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@@H](CCC#N)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000411306078 1029093439 /nfs/dbraw/zinc/09/34/39/1029093439.db2.gz LACIKBABWYSJFJ-AZUAARDMSA-N 1 1 311.473 3.667 20 30 DHEDMO CCCCCCCCCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000779331125 1029094759 /nfs/dbraw/zinc/09/47/59/1029094759.db2.gz SJRSCFSUBNVTJR-MSOLQXFVSA-N 1 1 323.525 3.863 20 30 DHEDMO Cc1cc(C2CC[NH+](CCC3(C#N)CCCCC3)CC2)n[nH]1 ZINC000411438553 1029130492 /nfs/dbraw/zinc/13/04/92/1029130492.db2.gz CKLVETWWHGOKJB-UHFFFAOYSA-N 1 1 300.450 3.762 20 30 DHEDMO Cc1cnccc1CC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000568877035 1029140552 /nfs/dbraw/zinc/14/05/52/1029140552.db2.gz NGEVOTFQBWRWHQ-PMACEKPBSA-N 1 1 305.425 3.704 20 30 DHEDMO N#CC1(CC[N@H+]2CC[C@@]3(C2)OCc2ccccc23)CCCCC1 ZINC000411547342 1029153979 /nfs/dbraw/zinc/15/39/79/1029153979.db2.gz VUPOECPMINWDLX-FQEVSTJZSA-N 1 1 310.441 3.982 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)cc1Cl ZINC000373895633 1029162927 /nfs/dbraw/zinc/16/29/27/1029162927.db2.gz AUQLHBLNLGRYOZ-GOEBONIOSA-N 1 1 307.821 3.516 20 30 DHEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000411603447 1029167408 /nfs/dbraw/zinc/16/74/08/1029167408.db2.gz MJFDWEWCNLFEKP-MAUKXSAKSA-N 1 1 313.445 3.787 20 30 DHEDMO CC1(C)C[N@@H+](C[C@@H](O)c2cccc(C#N)c2)[C@H]1c1cccs1 ZINC001170869710 1029173199 /nfs/dbraw/zinc/17/31/99/1029173199.db2.gz BILUJGUOJNHWRN-WBVHZDCISA-N 1 1 312.438 3.736 20 30 DHEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2ccc(C#N)cn2)c1 ZINC000569235667 1029200048 /nfs/dbraw/zinc/20/00/48/1029200048.db2.gz XDWAJIRBLDEBJX-IFXJQAMLSA-N 1 1 307.397 3.545 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)cc1 ZINC000190962303 1029227881 /nfs/dbraw/zinc/22/78/81/1029227881.db2.gz PYVZCSGOQGUSIX-JXFKEZNVSA-N 1 1 306.409 3.677 20 30 DHEDMO C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H](C#N)C1 ZINC001257565607 1029229359 /nfs/dbraw/zinc/22/93/59/1029229359.db2.gz RZYCFOZLBRCATK-GXTWGEPZSA-N 1 1 307.235 3.616 20 30 DHEDMO C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@H](C#N)C1 ZINC001257565607 1029229374 /nfs/dbraw/zinc/22/93/74/1029229374.db2.gz RZYCFOZLBRCATK-GXTWGEPZSA-N 1 1 307.235 3.616 20 30 DHEDMO C=CCC1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCC1 ZINC000450191027 1029249971 /nfs/dbraw/zinc/24/99/71/1029249971.db2.gz WLJQKWBHLYIRGD-AEFFLSMTSA-N 1 1 316.489 3.598 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000411982620 1029267534 /nfs/dbraw/zinc/26/75/34/1029267534.db2.gz DMEYKKBQAGLFHB-FQEVSTJZSA-N 1 1 318.420 3.912 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc4c[nH]nc4c3)CC2)cc1 ZINC000374283033 1029271171 /nfs/dbraw/zinc/27/11/71/1029271171.db2.gz IPBWLDCHVSKIQR-UHFFFAOYSA-N 1 1 314.392 3.724 20 30 DHEDMO C=CCOCC[N@H+](CC)Cc1cc(Br)ccc1F ZINC000569829843 1029271957 /nfs/dbraw/zinc/27/19/57/1029271957.db2.gz PSEXQZWQAFZECH-UHFFFAOYSA-N 1 1 316.214 3.613 20 30 DHEDMO C#CC[N@@H+](Cc1nc2ccccc2n1C(F)F)C1CCCC1 ZINC000155769005 1029296390 /nfs/dbraw/zinc/29/63/90/1029296390.db2.gz HOLBDINOPHPXNU-UHFFFAOYSA-N 1 1 303.356 3.809 20 30 DHEDMO C#CC[N@H+](Cc1nc2ccccc2n1C(F)F)C1CCCC1 ZINC000155769005 1029296403 /nfs/dbraw/zinc/29/64/03/1029296403.db2.gz HOLBDINOPHPXNU-UHFFFAOYSA-N 1 1 303.356 3.809 20 30 DHEDMO C=CCC[C@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000570015376 1029299255 /nfs/dbraw/zinc/29/92/55/1029299255.db2.gz NTXBNUHXWKUFEK-WMZOPIPTSA-N 1 1 302.462 3.581 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000817966497 1029307383 /nfs/dbraw/zinc/30/73/83/1029307383.db2.gz PBQUAWHBULIMJV-MAUKXSAKSA-N 1 1 322.880 3.858 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000817970757 1029312031 /nfs/dbraw/zinc/31/20/31/1029312031.db2.gz DLPJZUNYKWNPLC-YCPHGPKFSA-N 1 1 308.853 3.609 20 30 DHEDMO C[C@H]1Cc2ccc(Br)cc2C[N@H+]1CCCCC#N ZINC000347352891 1029433749 /nfs/dbraw/zinc/43/37/49/1029433749.db2.gz ONHZFLMEYJNKBR-LBPRGKRZSA-N 1 1 307.235 3.890 20 30 DHEDMO N#CCCCOc1cccc(C[NH2+]Cc2noc3ccccc23)c1 ZINC000570863179 1029433507 /nfs/dbraw/zinc/43/35/07/1029433507.db2.gz KDKREGCVSDMHFZ-UHFFFAOYSA-N 1 1 321.380 3.800 20 30 DHEDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC(C)(C)C#N ZINC000374794577 1029461594 /nfs/dbraw/zinc/46/15/94/1029461594.db2.gz PNKULDAUNCSVNV-ALOPSCKCSA-N 1 1 314.477 3.851 20 30 DHEDMO CC[N@@H+](CCC1CC[NH+](CC2(C#N)CCC2)CC1)CC1CC1 ZINC000450644080 1029586052 /nfs/dbraw/zinc/58/60/52/1029586052.db2.gz AQPWMXCAORQRHY-UHFFFAOYSA-N 1 1 303.494 3.514 20 30 DHEDMO CC[N@H+](CCC1CCN(CC2(C#N)CCC2)CC1)CC1CC1 ZINC000450644080 1029586060 /nfs/dbraw/zinc/58/60/60/1029586060.db2.gz AQPWMXCAORQRHY-UHFFFAOYSA-N 1 1 303.494 3.514 20 30 DHEDMO CC[N@@H+](CCC1CCN(CC2(C#N)CCC2)CC1)CC1CC1 ZINC000450644080 1029586070 /nfs/dbraw/zinc/58/60/70/1029586070.db2.gz AQPWMXCAORQRHY-UHFFFAOYSA-N 1 1 303.494 3.514 20 30 DHEDMO CC(=NN[C@@H](C)c1ccncc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000819816547 1029613301 /nfs/dbraw/zinc/61/33/01/1029613301.db2.gz KVKXDEZITBHUOS-JXFKEZNVSA-N 1 1 322.456 3.630 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)cc1C#N ZINC001168125502 1029740728 /nfs/dbraw/zinc/74/07/28/1029740728.db2.gz JZIOSHNHNRNADS-FQEVSTJZSA-N 1 1 306.409 3.614 20 30 DHEDMO Cc1ccc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)cc1C#N ZINC001168125502 1029740733 /nfs/dbraw/zinc/74/07/33/1029740733.db2.gz JZIOSHNHNRNADS-FQEVSTJZSA-N 1 1 306.409 3.614 20 30 DHEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@]2(C)CC(C)C)c(C#N)c1C ZINC000451291444 1029841182 /nfs/dbraw/zinc/84/11/82/1029841182.db2.gz OTQHZHCMWBKXPI-GOSISDBHSA-N 1 1 317.433 3.607 20 30 DHEDMO C=C1CC(C)(C(=O)N2CCC(CC[N@H+](CC)CC(C)C)CC2)C1 ZINC000632291327 1029843016 /nfs/dbraw/zinc/84/30/16/1029843016.db2.gz XUSUHEWNLKYRCS-UHFFFAOYSA-N 1 1 320.521 3.949 20 30 DHEDMO O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000451347394 1029847447 /nfs/dbraw/zinc/84/74/47/1029847447.db2.gz UHRHZPPZFWRJEI-GBESFXJTSA-N 1 1 317.860 3.707 20 30 DHEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000451407568 1029862645 /nfs/dbraw/zinc/86/26/45/1029862645.db2.gz MAPYXBAZNLJQBX-MFKMUULPSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000451407568 1029862651 /nfs/dbraw/zinc/86/26/51/1029862651.db2.gz MAPYXBAZNLJQBX-MFKMUULPSA-N 1 1 300.299 3.860 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1nnc(-c2ccccc2OC)o1 ZINC000121874678 1029867398 /nfs/dbraw/zinc/86/73/98/1029867398.db2.gz JDICSMQIZRTGGU-UHFFFAOYSA-N 1 1 315.417 3.923 20 30 DHEDMO N#Cc1ccc(C2([NH2+]Cc3cc4c(cc[nH]c4=O)o3)CCC2)cc1 ZINC000865618897 1029945598 /nfs/dbraw/zinc/94/55/98/1029945598.db2.gz JWXOPYUZMKRVSL-UHFFFAOYSA-N 1 1 319.364 3.574 20 30 DHEDMO C[N@@H+](CCCCNc1ccc(C(F)(F)F)c(C#N)c1)C1CC1 ZINC000413348809 1029964508 /nfs/dbraw/zinc/96/45/08/1029964508.db2.gz PNTQQGJZIVYSTL-UHFFFAOYSA-N 1 1 311.351 3.863 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+](CCCC(C)C)CC2)C1=O ZINC001276260335 1029967001 /nfs/dbraw/zinc/96/70/01/1029967001.db2.gz VATUHTYDBWBISA-IBGZPJMESA-N 1 1 306.494 3.703 20 30 DHEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1(C)CCCCC1 ZINC001276290766 1029974465 /nfs/dbraw/zinc/97/44/65/1029974465.db2.gz ZTMCEVNVRJGOOR-LJQANCHMSA-N 1 1 304.478 3.600 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357299883 1029983882 /nfs/dbraw/zinc/98/38/82/1029983882.db2.gz JQWLLRAMSFYDFR-CQSZACIVSA-N 1 1 316.405 3.533 20 30 DHEDMO CCOc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c(O)c1 ZINC000822526806 1030044911 /nfs/dbraw/zinc/04/49/11/1030044911.db2.gz YEEWELXNPPEJIK-CQSZACIVSA-N 1 1 310.397 3.856 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451962458 1030069257 /nfs/dbraw/zinc/06/92/57/1030069257.db2.gz FWVVFOHUJKRPIJ-MRXNPFEDSA-N 1 1 306.862 3.931 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451962458 1030069269 /nfs/dbraw/zinc/06/92/69/1030069269.db2.gz FWVVFOHUJKRPIJ-MRXNPFEDSA-N 1 1 306.862 3.931 20 30 DHEDMO CC(C)[C@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000357482481 1030072456 /nfs/dbraw/zinc/07/24/56/1030072456.db2.gz KSTCTEYFVVMDCY-AWEZNQCLSA-N 1 1 321.852 3.563 20 30 DHEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)S1 ZINC000530939062 1030083337 /nfs/dbraw/zinc/08/33/37/1030083337.db2.gz MYEULHGTYJUURU-BETUJISGSA-N 1 1 313.388 3.883 20 30 DHEDMO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCc1cc(C#N)cs1 ZINC000530953015 1030094279 /nfs/dbraw/zinc/09/42/79/1030094279.db2.gz UMVHFGSIYRQBKZ-NVXWUHKLSA-N 1 1 305.491 3.610 20 30 DHEDMO N#CCCC[C@H]([NH3+])c1nc(Cc2cccc3ccccc32)no1 ZINC000822701220 1030104636 /nfs/dbraw/zinc/10/46/36/1030104636.db2.gz MDKLDPJNZLDXGL-INIZCTEOSA-N 1 1 306.369 3.507 20 30 DHEDMO COc1ccc2cc(-c3noc([C@@H]([NH3+])CCCC#N)n3)ccc2c1 ZINC000822722629 1030107660 /nfs/dbraw/zinc/10/76/60/1030107660.db2.gz IMSOJHGDSJYXDN-INIZCTEOSA-N 1 1 322.368 3.592 20 30 DHEDMO Cc1[nH]c2ccc(-c3noc([C@@H]([NH3+])CCCC#N)n3)cc2c1C ZINC000822760506 1030119280 /nfs/dbraw/zinc/11/92/80/1030119280.db2.gz NVXJDHFUWHCOLT-AWEZNQCLSA-N 1 1 309.373 3.528 20 30 DHEDMO CCC[N@H+]1Cc2cccc(N=Cc3cc(OC)ccc3O)c2C1 ZINC000263634171 1030191253 /nfs/dbraw/zinc/19/12/53/1030191253.db2.gz NQCFCQVKMZUGIA-UHFFFAOYSA-N 1 1 310.397 3.877 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccccc1OCC1CC1)c1cccc(C#N)c1O ZINC000866270743 1030192908 /nfs/dbraw/zinc/19/29/08/1030192908.db2.gz UGEPIGWXJBEKMJ-CQSZACIVSA-N 1 1 322.408 3.903 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)C(C)C ZINC000533256433 1030227606 /nfs/dbraw/zinc/22/76/06/1030227606.db2.gz UYZNPEKUTHXKDL-GFCCVEGCSA-N 1 1 307.825 3.517 20 30 DHEDMO COCC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc(C)o1 ZINC000866337439 1030236561 /nfs/dbraw/zinc/23/65/61/1030236561.db2.gz RUSMIJJHJBIYJZ-XJKSGUPXSA-N 1 1 314.385 3.594 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1F ZINC000533290242 1030247420 /nfs/dbraw/zinc/24/74/20/1030247420.db2.gz VREDBSZLCVSJMZ-HNNXBMFYSA-N 1 1 306.425 3.509 20 30 DHEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000533292930 1030252576 /nfs/dbraw/zinc/25/25/76/1030252576.db2.gz IIPWWBITRDNQAD-QWHCGFSZSA-N 1 1 319.836 3.661 20 30 DHEDMO CC1(C)CC[C@H](c2noc([C@H]([NH3+])CCCC#N)n2)c2ccccc21 ZINC000823287673 1030258530 /nfs/dbraw/zinc/25/85/30/1030258530.db2.gz PSCMXIKNRVJEFP-GOEBONIOSA-N 1 1 324.428 3.967 20 30 DHEDMO C=CC[N@@H+](C)Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000777544081 1030262679 /nfs/dbraw/zinc/26/26/79/1030262679.db2.gz KCXLHWHGNMQXRN-UHFFFAOYSA-N 1 1 324.197 3.527 20 30 DHEDMO C=CC[N@H+](C)Cn1cc(Br)c(-c2ccc(F)cc2)n1 ZINC000777544081 1030262688 /nfs/dbraw/zinc/26/26/88/1030262688.db2.gz KCXLHWHGNMQXRN-UHFFFAOYSA-N 1 1 324.197 3.527 20 30 DHEDMO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1cccc(C#N)c1O ZINC000866400003 1030278982 /nfs/dbraw/zinc/27/89/82/1030278982.db2.gz UVFXWLOPOUXZCS-FZKQIMNGSA-N 1 1 307.397 3.851 20 30 DHEDMO CCC(=NNc1cc[nH+]cc1)c1ccc(OC(F)(F)F)cc1 ZINC000794928371 1030341845 /nfs/dbraw/zinc/34/18/45/1030341845.db2.gz XTSOADYZIHNCMM-UHFFFAOYSA-N 1 1 309.291 3.628 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccc(F)c(F)c1 ZINC000823616629 1030342141 /nfs/dbraw/zinc/34/21/41/1030342141.db2.gz BGWVABXITQNGOI-XIKOKIGWSA-N 1 1 316.351 3.563 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccc(F)cc1F ZINC000823616832 1030342221 /nfs/dbraw/zinc/34/22/21/1030342221.db2.gz CDMHICNHLOEUJP-KPZWWZAWSA-N 1 1 316.351 3.563 20 30 DHEDMO C=C(C)C[N@@H+]1CC2(C[C@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823642074 1030352707 /nfs/dbraw/zinc/35/27/07/1030352707.db2.gz AHVMGSPHCVQGLN-OAHLLOKOSA-N 1 1 308.466 3.674 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000533437245 1030356292 /nfs/dbraw/zinc/35/62/92/1030356292.db2.gz UCQAQYSGJIVHJQ-LBPRGKRZSA-N 1 1 314.351 3.930 20 30 DHEDMO COc1ccc2c(c1)CCC[N@H+](Cc1cc(C#N)ccc1OC)C2 ZINC000533469067 1030371801 /nfs/dbraw/zinc/37/18/01/1030371801.db2.gz QBFRJDUMRBELCS-UHFFFAOYSA-N 1 1 322.408 3.524 20 30 DHEDMO C=C(C)C[N@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000533532676 1030407761 /nfs/dbraw/zinc/40/77/61/1030407761.db2.gz AFYXQFCFQQCWSD-UHFFFAOYSA-N 1 1 316.493 3.775 20 30 DHEDMO CCCOc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000533537537 1030414627 /nfs/dbraw/zinc/41/46/27/1030414627.db2.gz AHJVVZYEFLWZRX-UHFFFAOYSA-N 1 1 306.409 3.905 20 30 DHEDMO COc1ccc(C[N@@H+](CCc2cccc(F)c2)C2CC2)cc1C#N ZINC000533538907 1030418432 /nfs/dbraw/zinc/41/84/32/1030418432.db2.gz NNCZBYXMHFQUFO-UHFFFAOYSA-N 1 1 324.399 3.913 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000558126657 1030432750 /nfs/dbraw/zinc/43/27/50/1030432750.db2.gz IESPOFCEAPCXQG-DZGCQCFKSA-N 1 1 315.379 3.895 20 30 DHEDMO C=CCCCC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000246874084 1030657224 /nfs/dbraw/zinc/65/72/24/1030657224.db2.gz MLFSBICGTMXCQN-YOEHRIQHSA-N 1 1 306.475 3.604 20 30 DHEDMO CC[C@H]1C[N@@H+](CCCCC#N)[C@@H](CC)CN1CCCCC#N ZINC000247145128 1030679693 /nfs/dbraw/zinc/67/96/93/1030679693.db2.gz YEGCUSTUSXSAMJ-ROUUACIJSA-N 1 1 304.482 3.549 20 30 DHEDMO COc1cccc2c1C[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC2 ZINC000824982710 1030694394 /nfs/dbraw/zinc/69/43/94/1030694394.db2.gz JSHBLPOUCPWOJL-HNNXBMFYSA-N 1 1 322.408 3.544 20 30 DHEDMO Clc1cncc(C[NH+]2CCC(C#Cc3ccccc3)CC2)c1 ZINC001136997670 1030745997 /nfs/dbraw/zinc/74/59/97/1030745997.db2.gz JRYAYFLTHCPLQZ-UHFFFAOYSA-N 1 1 310.828 3.999 20 30 DHEDMO Cc1cc(C)c(COC(=O)C2(c3ccc(C#N)cc3)CC2)c(C)[nH+]1 ZINC000869478722 1030779363 /nfs/dbraw/zinc/77/93/63/1030779363.db2.gz OUOIGEOXKCSMRU-UHFFFAOYSA-N 1 1 320.392 3.654 20 30 DHEDMO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000926602494 1030821873 /nfs/dbraw/zinc/82/18/73/1030821873.db2.gz MCDWMMWWOWKXJG-IRXDYDNUSA-N 1 1 307.397 3.899 20 30 DHEDMO N#Cc1ccccc1N1CCC[N@H+]([C@@H]2CCc3ccccc32)CC1 ZINC000614963904 1030873931 /nfs/dbraw/zinc/87/39/31/1030873931.db2.gz OTHMGIIEDZLCCF-OAQYLSRUSA-N 1 1 317.436 3.758 20 30 DHEDMO CC[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cccc(C#N)c1O ZINC000926710729 1030877602 /nfs/dbraw/zinc/87/76/02/1030877602.db2.gz KMRZJJVELXHDPX-QGZVFWFLSA-N 1 1 324.428 3.506 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001143693480 1030907808 /nfs/dbraw/zinc/90/78/08/1030907808.db2.gz PMSMUPPAYIBXPN-UHFFFAOYSA-N 1 1 305.422 3.827 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC001171098239 1030927925 /nfs/dbraw/zinc/92/79/25/1030927925.db2.gz JGJASBKSWJNLFS-KRWDZBQOSA-N 1 1 305.874 3.911 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)OCC2(C#N)CCC2)cc1)C(C)C ZINC000805919289 1030970529 /nfs/dbraw/zinc/97/05/29/1030970529.db2.gz IPNIHSXMHNNSJX-UHFFFAOYSA-N 1 1 314.429 3.768 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001143791532 1030971447 /nfs/dbraw/zinc/97/14/47/1030971447.db2.gz SWXUYUFHXHPZRS-NSHDSACASA-N 1 1 301.283 3.570 20 30 DHEDMO Cc1ccc(C#N)c(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000359512288 1030999063 /nfs/dbraw/zinc/99/90/63/1030999063.db2.gz ZJGJWXCLQLYNIX-YJBOKZPZSA-N 1 1 306.413 3.509 20 30 DHEDMO N#Cc1csc(CNCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000237849656 1031034488 /nfs/dbraw/zinc/03/44/88/1031034488.db2.gz IBDWVYKOILPWCX-UHFFFAOYSA-N 1 1 317.502 3.898 20 30 DHEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)Cc2ccccc21 ZINC000844255763 1031039754 /nfs/dbraw/zinc/03/97/54/1031039754.db2.gz DXISIBSYLHQXTQ-HNNXBMFYSA-N 1 1 319.408 3.506 20 30 DHEDMO CC(C)(C)OC(=O)NCCCCCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000844317712 1031066257 /nfs/dbraw/zinc/06/62/57/1031066257.db2.gz JHFQWGCYJQAKPA-SFHVURJKSA-N 1 1 323.481 3.697 20 30 DHEDMO CC(C)Oc1ccccc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370250 1031068592 /nfs/dbraw/zinc/06/85/92/1031068592.db2.gz POLNXQNYUZOXFQ-LJQANCHMSA-N 1 1 324.424 3.511 20 30 DHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)[C@H]1CC[C@@H](C#N)C1 ZINC000559070346 1031084804 /nfs/dbraw/zinc/08/48/04/1031084804.db2.gz ZTBGHCTZDVAQHX-QAPCUYQASA-N 1 1 308.429 3.633 20 30 DHEDMO Cn1nc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1C1CC1 ZINC000927106738 1031090067 /nfs/dbraw/zinc/09/00/67/1031090067.db2.gz DDEWCONAIAJRIT-IBGZPJMESA-N 1 1 320.440 3.726 20 30 DHEDMO C[C@@H]1CCC[N@@H+](CCCCC#N)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844397361 1031101339 /nfs/dbraw/zinc/10/13/39/1031101339.db2.gz NKQFWIZJUJFZPB-CVEARBPZSA-N 1 1 323.481 3.696 20 30 DHEDMO C[C@H]1CCC[N@@H+](CCCCC#N)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844397363 1031103039 /nfs/dbraw/zinc/10/30/39/1031103039.db2.gz NKQFWIZJUJFZPB-HOTGVXAUSA-N 1 1 323.481 3.696 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCc2ccccc21 ZINC000844424509 1031123017 /nfs/dbraw/zinc/12/30/17/1031123017.db2.gz DCBFVFGEPPQBCB-MRXNPFEDSA-N 1 1 306.409 3.751 20 30 DHEDMO C=CCCn1cc(C[N@H+]2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)nn1 ZINC000653712469 1031170003 /nfs/dbraw/zinc/17/00/03/1031170003.db2.gz GLJVJJFQCFWMJV-MDZRGWNJSA-N 1 1 310.445 3.621 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1 ZINC001144163578 1031282858 /nfs/dbraw/zinc/28/28/58/1031282858.db2.gz LEKKJZVWLDOISE-INIZCTEOSA-N 1 1 309.388 3.547 20 30 DHEDMO COc1cccc(C=NOCc2c(C)cc(C)[nH+]c2C)c1OC ZINC000871723601 1031292556 /nfs/dbraw/zinc/29/25/56/1031292556.db2.gz OPWCJLFAGZZHJO-UHFFFAOYSA-N 1 1 314.385 3.575 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(c3ccccc3Cl)CC2)nc1 ZINC001144163326 1031299640 /nfs/dbraw/zinc/29/96/40/1031299640.db2.gz BERMTIUVGOTHBF-UHFFFAOYSA-N 1 1 311.816 3.986 20 30 DHEDMO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1c(C)nn(C)c1C ZINC000360249427 1031348697 /nfs/dbraw/zinc/34/86/97/1031348697.db2.gz MCDMANUJJIFLGX-MRXNPFEDSA-N 1 1 316.836 3.803 20 30 DHEDMO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2cncc(C#N)c2)cc1 ZINC000929136784 1031443421 /nfs/dbraw/zinc/44/34/21/1031443421.db2.gz YSISEEIEQHHQKI-IBGZPJMESA-N 1 1 307.397 3.689 20 30 DHEDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cncc(C#N)c2)cc1 ZINC000929136784 1031443434 /nfs/dbraw/zinc/44/34/34/1031443434.db2.gz YSISEEIEQHHQKI-IBGZPJMESA-N 1 1 307.397 3.689 20 30 DHEDMO CCC[N@@H+](CCOC1CCSCC1)Cc1ccc(C#N)cc1 ZINC000929270526 1031481896 /nfs/dbraw/zinc/48/18/96/1031481896.db2.gz QCVHFVZQRLQOGY-UHFFFAOYSA-N 1 1 318.486 3.682 20 30 DHEDMO COC(=O)C[N@H+](CCCCC1(C#N)CCC1)Cc1ccccc1 ZINC000929357520 1031502830 /nfs/dbraw/zinc/50/28/30/1031502830.db2.gz LIIMVSPHIURGOO-UHFFFAOYSA-N 1 1 314.429 3.526 20 30 DHEDMO COC(=O)C[N@@H+](CCCCC1(C#N)CCC1)Cc1ccccc1 ZINC000929357520 1031502847 /nfs/dbraw/zinc/50/28/47/1031502847.db2.gz LIIMVSPHIURGOO-UHFFFAOYSA-N 1 1 314.429 3.526 20 30 DHEDMO N#Cc1ccc(C[N@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)C2CC2)cc1 ZINC000929368010 1031503912 /nfs/dbraw/zinc/50/39/12/1031503912.db2.gz UGZJTUCIZOXEML-HOTGVXAUSA-N 1 1 324.346 3.633 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2c[nH]c3cc(C)ccc23)no1 ZINC000872175083 1031551216 /nfs/dbraw/zinc/55/12/16/1031551216.db2.gz NVJYFRBCFJOICD-ZDUSSCGKSA-N 1 1 316.792 3.593 20 30 DHEDMO Cc1cc2cc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)ncc2[nH]1 ZINC001171177375 1031552941 /nfs/dbraw/zinc/55/29/41/1031552941.db2.gz RRNCXEHASBRANG-UHFFFAOYSA-N 1 1 316.364 3.767 20 30 DHEDMO COC(=O)c1ccc2c(c1)C[N@@H+](CCCCC1(C#N)CCC1)C2 ZINC000929592921 1031554821 /nfs/dbraw/zinc/55/48/21/1031554821.db2.gz JELYOUJVTAINFE-UHFFFAOYSA-N 1 1 312.413 3.653 20 30 DHEDMO COC(=O)c1ccc2c(c1)C[N@H+](CCCCC1(C#N)CCC1)C2 ZINC000929592921 1031554830 /nfs/dbraw/zinc/55/48/30/1031554830.db2.gz JELYOUJVTAINFE-UHFFFAOYSA-N 1 1 312.413 3.653 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)c(F)c1 ZINC000872261436 1031563853 /nfs/dbraw/zinc/56/38/53/1031563853.db2.gz FDUPOVIXZIMPJJ-KRWDZBQOSA-N 1 1 302.393 3.621 20 30 DHEDMO C=C(Cl)CN1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000777808097 1031571222 /nfs/dbraw/zinc/57/12/22/1031571222.db2.gz MVZAJXDTPHIJRI-AWEZNQCLSA-N 1 1 308.857 3.784 20 30 DHEDMO C=C(Cl)CN1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000777808097 1031571230 /nfs/dbraw/zinc/57/12/30/1031571230.db2.gz MVZAJXDTPHIJRI-AWEZNQCLSA-N 1 1 308.857 3.784 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000360828763 1031578653 /nfs/dbraw/zinc/57/86/53/1031578653.db2.gz AHSDZUYCNOEMOR-HBFSDRIKSA-N 1 1 309.457 3.542 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360828763 1031578659 /nfs/dbraw/zinc/57/86/59/1031578659.db2.gz AHSDZUYCNOEMOR-HBFSDRIKSA-N 1 1 309.457 3.542 20 30 DHEDMO C[C@@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1ccc(C#N)c(F)c1 ZINC000537406771 1031595441 /nfs/dbraw/zinc/59/54/41/1031595441.db2.gz IYJXWLCMNMIJES-AUUYWEPGSA-N 1 1 317.452 3.858 20 30 DHEDMO CC[N@H+]1CC[C@@H](N(C)Cc2cc(Cl)cc(C#N)c2)C[C@H]1C ZINC000929782294 1031608342 /nfs/dbraw/zinc/60/83/42/1031608342.db2.gz UNMABGOPHVHQFK-CXAGYDPISA-N 1 1 305.853 3.516 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000929833686 1031621431 /nfs/dbraw/zinc/62/14/31/1031621431.db2.gz ZZDXPQINWOUSDO-HKUYNNGSSA-N 1 1 324.424 3.856 20 30 DHEDMO C[C@@H]1CC[C@@H](C)N1[C@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929966533 1031663088 /nfs/dbraw/zinc/66/30/88/1031663088.db2.gz YAESTVXPHXYXGS-DEFHTRQUSA-N 1 1 303.494 3.654 20 30 DHEDMO C[C@@H]1CC[C@@H](C)N1[C@H]1CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929966533 1031663082 /nfs/dbraw/zinc/66/30/82/1031663082.db2.gz YAESTVXPHXYXGS-DEFHTRQUSA-N 1 1 303.494 3.654 20 30 DHEDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000930067091 1031691343 /nfs/dbraw/zinc/69/13/43/1031691343.db2.gz UQTHOSNLOHFLDM-INIZCTEOSA-N 1 1 300.450 3.593 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361044229 1031692971 /nfs/dbraw/zinc/69/29/71/1031692971.db2.gz HUNPBNIFCXQQLJ-AWEZNQCLSA-N 1 1 308.381 3.522 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1Cc2ccccc2[C@@H]1C ZINC000361044229 1031692980 /nfs/dbraw/zinc/69/29/80/1031692980.db2.gz HUNPBNIFCXQQLJ-AWEZNQCLSA-N 1 1 308.381 3.522 20 30 DHEDMO CC[N@@H+](CCc1nccs1)Cc1cc(Cl)cc(C#N)c1 ZINC000930087354 1031696168 /nfs/dbraw/zinc/69/61/68/1031696168.db2.gz MXGVSPBCZOYTMV-UHFFFAOYSA-N 1 1 305.834 3.733 20 30 DHEDMO N#CC1CCC(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000930140953 1031714034 /nfs/dbraw/zinc/71/40/34/1031714034.db2.gz LSTZXQXGSFIZAY-UHFFFAOYSA-N 1 1 313.401 3.889 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCCN(c3ccc(F)cc3)CC2)cc1 ZINC001144581292 1031719023 /nfs/dbraw/zinc/71/90/23/1031719023.db2.gz OPEWFAIRROJQNT-UHFFFAOYSA-N 1 1 308.400 3.519 20 30 DHEDMO C#Cc1ccc(C[N@H+](C[C@@H](O)c2ccccc2OC)C(C)C)cc1 ZINC001144576833 1031724752 /nfs/dbraw/zinc/72/47/52/1031724752.db2.gz RYBLDYBTWREYJA-HXUWFJFHSA-N 1 1 323.436 3.621 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCC[C@H](OCc3ccccc3)C2)cc1 ZINC001144576890 1031724852 /nfs/dbraw/zinc/72/48/52/1031724852.db2.gz VIGGNSBQUWSRIU-NRFANRHFSA-N 1 1 305.421 3.849 20 30 DHEDMO C#Cc1ccc(C[N@H+](C[C@H](O)c2ccccc2OC)C(C)C)cc1 ZINC001144576832 1031725665 /nfs/dbraw/zinc/72/56/65/1031725665.db2.gz RYBLDYBTWREYJA-FQEVSTJZSA-N 1 1 323.436 3.621 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000930299073 1031773574 /nfs/dbraw/zinc/77/35/74/1031773574.db2.gz AOVCKMBNZHMPGC-JIARVOFWSA-N 1 1 304.478 3.722 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000930308361 1031775739 /nfs/dbraw/zinc/77/57/39/1031775739.db2.gz YAAFLXHVISWBAN-IBGZPJMESA-N 1 1 308.429 3.636 20 30 DHEDMO C=CCCc1ccccc1NC(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000897667903 1031775928 /nfs/dbraw/zinc/77/59/28/1031775928.db2.gz AORJAFTUXHXIRJ-SFHVURJKSA-N 1 1 324.428 3.547 20 30 DHEDMO C=CCCc1ccccc1NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000897667903 1031775938 /nfs/dbraw/zinc/77/59/38/1031775938.db2.gz AORJAFTUXHXIRJ-SFHVURJKSA-N 1 1 324.428 3.547 20 30 DHEDMO C[N@@H+](C[C@H](O)CC#N)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000930311105 1031776302 /nfs/dbraw/zinc/77/63/02/1031776302.db2.gz ZGFKASVGBNAKBZ-IAGOWNOFSA-N 1 1 306.837 3.778 20 30 DHEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1)[C@H]1CCCO1 ZINC000845955339 1031776978 /nfs/dbraw/zinc/77/69/78/1031776978.db2.gz BZYYABDJDCGJDE-ZAAXVRCTSA-N 1 1 306.409 3.580 20 30 DHEDMO N#Cc1cncc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1 ZINC000930352611 1031789278 /nfs/dbraw/zinc/78/92/78/1031789278.db2.gz AQXOBBMSNDMGCJ-ACDBMABISA-N 1 1 303.409 3.864 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)nc1 ZINC000845959796 1031796063 /nfs/dbraw/zinc/79/60/63/1031796063.db2.gz NORROWQJPQXWAU-CQSZACIVSA-N 1 1 301.752 3.523 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H]2CCOc3c(F)ccc(F)c32)s1 ZINC000361226365 1031796934 /nfs/dbraw/zinc/79/69/34/1031796934.db2.gz BBYITAGYMYSHDB-ZDUSSCGKSA-N 1 1 306.337 3.511 20 30 DHEDMO C[C@@H](CC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000846006509 1031805984 /nfs/dbraw/zinc/80/59/84/1031805984.db2.gz IVAVVBYSBZMDPZ-JXFKEZNVSA-N 1 1 308.425 3.717 20 30 DHEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000846109266 1031861080 /nfs/dbraw/zinc/86/10/80/1031861080.db2.gz UDZKVJNVBUXKQD-QGZVFWFLSA-N 1 1 320.383 3.990 20 30 DHEDMO N#CCCC[C@@H]([NH2+]Cc1c(F)cncc1F)c1ccccc1 ZINC000930567726 1031870765 /nfs/dbraw/zinc/87/07/65/1031870765.db2.gz OOIKIPTWHBVABO-QGZVFWFLSA-N 1 1 301.340 3.885 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000930703242 1031920918 /nfs/dbraw/zinc/92/09/18/1031920918.db2.gz NOXKVGTUENJBMQ-VQTJNVASSA-N 1 1 312.457 3.548 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001171221126 1031959931 /nfs/dbraw/zinc/95/99/31/1031959931.db2.gz IJVCLQCAIPAPEE-QFBILLFUSA-N 1 1 305.425 3.764 20 30 DHEDMO C=CCC[C@@H](C)[NH2+][C@@H](c1nccn1C)c1ccc(F)cc1F ZINC000898104328 1031961983 /nfs/dbraw/zinc/96/19/83/1031961983.db2.gz DXFPXNNLCLEGPG-MLGOLLRUSA-N 1 1 305.372 3.732 20 30 DHEDMO CC(C)(C)OC(=O)C1(CC[N@H+]2CCC[C@H](CC#N)C2)CCC1 ZINC000930923030 1031985643 /nfs/dbraw/zinc/98/56/43/1031985643.db2.gz FTRDAWFTKDPBMN-OAHLLOKOSA-N 1 1 306.450 3.514 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000877488967 1033319205 /nfs/dbraw/zinc/31/92/05/1033319205.db2.gz JTMZCLPRGGJVHC-AEFFLSMTSA-N 1 1 314.429 3.524 20 30 DHEDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1ccc(OCC#N)cc1 ZINC001137121457 1033326963 /nfs/dbraw/zinc/32/69/63/1033326963.db2.gz MKAQMHDVIMNMQJ-GORDUTHDSA-N 1 1 307.397 3.519 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000877657762 1033399486 /nfs/dbraw/zinc/39/94/86/1033399486.db2.gz IGPDWACUJYPRQB-CRAIPNDOSA-N 1 1 313.445 3.742 20 30 DHEDMO CCn1c2ccccc2nc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877704513 1033418961 /nfs/dbraw/zinc/41/89/61/1033418961.db2.gz PNZZFSIIZOVONU-UHFFFAOYSA-N 1 1 318.424 3.602 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)cc1 ZINC000877812155 1033464411 /nfs/dbraw/zinc/46/44/11/1033464411.db2.gz IGZUYCPZCXUXKU-IUODEOHRSA-N 1 1 312.335 3.752 20 30 DHEDMO C[C@@H]1CCCCC[N@H+]1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172983145 1033491109 /nfs/dbraw/zinc/49/11/09/1033491109.db2.gz GYHHMVGSRVJGRU-PMPSAXMXSA-N 1 1 321.465 3.543 20 30 DHEDMO C=CC[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C(C)(C)C ZINC001172990747 1033496448 /nfs/dbraw/zinc/49/64/48/1033496448.db2.gz RLNYAYHEHOPYQI-GJZGRUSLSA-N 1 1 321.465 3.565 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1cccc(C)c1)c1ccccc1 ZINC000877976059 1033540914 /nfs/dbraw/zinc/54/09/14/1033540914.db2.gz RZZCWYRVGATKCM-NRFANRHFSA-N 1 1 320.436 3.868 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CCC2(CCOCC2)O1 ZINC000877987537 1033544386 /nfs/dbraw/zinc/54/43/86/1033544386.db2.gz KSUVEAXOLBSLFM-QGZVFWFLSA-N 1 1 319.420 3.542 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H]1CCC2(CCOCC2)O1 ZINC000877987537 1033544391 /nfs/dbraw/zinc/54/43/91/1033544391.db2.gz KSUVEAXOLBSLFM-QGZVFWFLSA-N 1 1 319.420 3.542 20 30 DHEDMO C=CC1CC[NH+]([C@H](C)C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000878094409 1033577135 /nfs/dbraw/zinc/57/71/35/1033577135.db2.gz UIUDHMYLHXEJBN-CYBMUJFWSA-N 1 1 306.837 3.873 20 30 DHEDMO C=CCCCC[N@H+](C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173191908 1033584817 /nfs/dbraw/zinc/58/48/17/1033584817.db2.gz HJPGCISAVYEURV-ZDUSSCGKSA-N 1 1 324.396 3.962 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1C[C@H](C)CCC[C@H]1C)c1ccccc1 ZINC000878128300 1033589877 /nfs/dbraw/zinc/58/98/77/1033589877.db2.gz BAXJSQCGPRQJKT-MBOZVWFJSA-N 1 1 312.457 3.938 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H]1c1ccc[nH]1)c1ccccc1 ZINC000878213447 1033625042 /nfs/dbraw/zinc/62/50/42/1033625042.db2.gz JCQHCGUFUYRONV-WOJBJXKFSA-N 1 1 321.424 3.592 20 30 DHEDMO CCCCCCCCC[C@@H](CCC)[NH2+]Cc1noc(C(N)=O)n1 ZINC001173284418 1033676194 /nfs/dbraw/zinc/67/61/94/1033676194.db2.gz GBOSDOBJESXCHU-CQSZACIVSA-N 1 1 324.469 3.568 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@@H](Oc3ccccc3C)C2)CC1 ZINC001173321285 1033686156 /nfs/dbraw/zinc/68/61/56/1033686156.db2.gz ZRJPVOHXTXAAIJ-CTWPCTMYSA-N 1 1 315.457 3.962 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)C[C@H]1CC=CCC1)c1ccccc1 ZINC000878404747 1033691737 /nfs/dbraw/zinc/69/17/37/1033691737.db2.gz TXJRATIZEYTSNL-AZUAARDMSA-N 1 1 310.441 3.715 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000878542207 1033743405 /nfs/dbraw/zinc/74/34/05/1033743405.db2.gz LTVNKGNCMYGKIT-ICSRJNTNSA-N 1 1 312.457 3.938 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@H]1CCC(C)(C)C1)c1ccccc1 ZINC000878542206 1033744099 /nfs/dbraw/zinc/74/40/99/1033744099.db2.gz LTVNKGNCMYGKIT-AZUAARDMSA-N 1 1 312.457 3.938 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+](CC1CC1)C1CCC1)c1ccccc1 ZINC000878544840 1033744368 /nfs/dbraw/zinc/74/43/68/1033744368.db2.gz ZXMXSVFFEHLLIB-HXUWFJFHSA-N 1 1 310.441 3.692 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1CC(C)(C)OC1(C)C ZINC000878607453 1033767496 /nfs/dbraw/zinc/76/74/96/1033767496.db2.gz VRTMPJVPDFLDJG-OAHLLOKOSA-N 1 1 321.461 3.744 20 30 DHEDMO C=C(C)C[N@@H+](CC[C@H]1CCCC1(F)F)Cc1ccc(CO)o1 ZINC000878606950 1033767827 /nfs/dbraw/zinc/76/78/27/1033767827.db2.gz QUJLNIYXGANYHU-CQSZACIVSA-N 1 1 313.388 3.976 20 30 DHEDMO CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)CC(C)(C)C ZINC000878638118 1033777052 /nfs/dbraw/zinc/77/70/52/1033777052.db2.gz YJMVGKAGFIAKQG-IBGZPJMESA-N 1 1 300.446 3.795 20 30 DHEDMO Cc1cccc(O[C@H]2CCC[N@H+](C3CCC(C)(C#N)CC3)C2)n1 ZINC001173597411 1033785001 /nfs/dbraw/zinc/78/50/01/1033785001.db2.gz SECAKKKQBZKLGD-HFCFLWKCSA-N 1 1 313.445 3.706 20 30 DHEDMO C=CCCCC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000479534041 1033796313 /nfs/dbraw/zinc/79/63/13/1033796313.db2.gz CGYWFDASXPYMBT-KRWDZBQOSA-N 1 1 314.473 3.891 20 30 DHEDMO C#CCCCCC[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000878694117 1033801393 /nfs/dbraw/zinc/80/13/93/1033801393.db2.gz CGJDYUGRYMFETK-UHFFFAOYSA-N 1 1 304.400 3.529 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H](C2CCC2)C1)c1ccccc1 ZINC000878716699 1033807427 /nfs/dbraw/zinc/80/74/27/1033807427.db2.gz NROBSHNIRRICPC-AZUAARDMSA-N 1 1 310.441 3.549 20 30 DHEDMO C=CC(C)(C)CC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000878742189 1033815522 /nfs/dbraw/zinc/81/55/22/1033815522.db2.gz WEPNJOLEMHNELI-OAHLLOKOSA-N 1 1 316.445 3.621 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000862443354 1033856362 /nfs/dbraw/zinc/85/63/62/1033856362.db2.gz ONOAATVWRVTBAH-ZDUSSCGKSA-N 1 1 316.836 3.511 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3F)s2)C1 ZINC000862448359 1033860114 /nfs/dbraw/zinc/86/01/14/1033860114.db2.gz XPDSMOPQOATEHU-ZDUSSCGKSA-N 1 1 300.402 3.794 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000862447358 1033860275 /nfs/dbraw/zinc/86/02/75/1033860275.db2.gz MEJVHVSPRNJRNH-LBPRGKRZSA-N 1 1 315.310 3.612 20 30 DHEDMO C#CC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000862446786 1033860401 /nfs/dbraw/zinc/86/04/01/1033860401.db2.gz DSRPMLBHAAFWSH-JTQLQIEISA-N 1 1 313.184 3.747 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000862446786 1033860412 /nfs/dbraw/zinc/86/04/12/1033860412.db2.gz DSRPMLBHAAFWSH-JTQLQIEISA-N 1 1 313.184 3.747 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879245175 1033961921 /nfs/dbraw/zinc/96/19/21/1033961921.db2.gz IWVGFGGPTPUCFL-PMACEKPBSA-N 1 1 306.409 3.565 20 30 DHEDMO C[N@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC000879308619 1033977961 /nfs/dbraw/zinc/97/79/61/1033977961.db2.gz FJOIJQSEHQQBEV-BYCMXARLSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@@H]1C#N ZINC000879308619 1033977966 /nfs/dbraw/zinc/97/79/66/1033977966.db2.gz FJOIJQSEHQQBEV-BYCMXARLSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCC[C@H]1C#N ZINC000879310286 1033979834 /nfs/dbraw/zinc/97/98/34/1033979834.db2.gz SKNQBQITWQQDKC-LKTVYLICSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCC[C@H]1C#N ZINC000879310286 1033979846 /nfs/dbraw/zinc/97/98/46/1033979846.db2.gz SKNQBQITWQQDKC-LKTVYLICSA-N 1 1 313.228 3.651 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)C1 ZINC000339050315 1033986912 /nfs/dbraw/zinc/98/69/12/1033986912.db2.gz BCMFIEZCJUAYIR-IPYPFGDCSA-N 1 1 313.376 3.839 20 30 DHEDMO COc1ccc([C@@H]2C[N@@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)cc1 ZINC000879632838 1034063393 /nfs/dbraw/zinc/06/33/93/1034063393.db2.gz AQDWVHWIOIRTFT-QRWLVFNGSA-N 1 1 322.408 3.701 20 30 DHEDMO COc1ccc([C@@H]2C[N@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)cc1 ZINC000879632838 1034063407 /nfs/dbraw/zinc/06/34/07/1034063407.db2.gz AQDWVHWIOIRTFT-QRWLVFNGSA-N 1 1 322.408 3.701 20 30 DHEDMO C[N@@H+](CCCSCC#N)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000554304633 1034086237 /nfs/dbraw/zinc/08/62/37/1034086237.db2.gz ZSXAASQYEFZGIJ-IAGOWNOFSA-N 1 1 318.486 3.811 20 30 DHEDMO CC1(C)CC(=NNCCC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000794546689 1034171911 /nfs/dbraw/zinc/17/19/11/1034171911.db2.gz ATWZNJGJWYJHBL-UHFFFAOYSA-N 1 1 313.367 3.569 20 30 DHEDMO CC1(C)CC(=NNCCC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000794546689 1034171916 /nfs/dbraw/zinc/17/19/16/1034171916.db2.gz ATWZNJGJWYJHBL-UHFFFAOYSA-N 1 1 313.367 3.569 20 30 DHEDMO N#CC1(CCC[N@H+]2CC[C@@]3(CCc4ccccc43)C2)CCOCC1 ZINC000879995434 1034174780 /nfs/dbraw/zinc/17/47/80/1034174780.db2.gz DORACJKYLAXWMZ-NRFANRHFSA-N 1 1 324.468 3.677 20 30 DHEDMO CC(=O)Nc1ccc2c(c1)C[N@@H+]([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000880030231 1034191473 /nfs/dbraw/zinc/19/14/73/1034191473.db2.gz JLAZXWOJKVQEMZ-CQSZACIVSA-N 1 1 319.408 3.636 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880062997 1034197308 /nfs/dbraw/zinc/19/73/08/1034197308.db2.gz TYDGBOVHTBPMRI-LALPHHSUSA-N 1 1 312.335 3.661 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CC[C@@H](C(F)(F)F)O1 ZINC000880066524 1034200051 /nfs/dbraw/zinc/20/00/51/1034200051.db2.gz HUXMVTNNHZWNOS-OLZOCXBDSA-N 1 1 306.372 3.748 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000554552360 1034203141 /nfs/dbraw/zinc/20/31/41/1034203141.db2.gz UULUQOXXHKNXDC-LJQANCHMSA-N 1 1 319.408 3.799 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000880235967 1034257115 /nfs/dbraw/zinc/25/71/15/1034257115.db2.gz UHGDHJAUOYWTNI-AWEZNQCLSA-N 1 1 322.449 3.585 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880235967 1034257125 /nfs/dbraw/zinc/25/71/25/1034257125.db2.gz UHGDHJAUOYWTNI-AWEZNQCLSA-N 1 1 322.449 3.585 20 30 DHEDMO N#CCC1(C[N@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)CC1 ZINC000880278188 1034276070 /nfs/dbraw/zinc/27/60/70/1034276070.db2.gz UPDULBPTQMVZGP-QGZVFWFLSA-N 1 1 320.440 3.950 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000880320082 1034296710 /nfs/dbraw/zinc/29/67/10/1034296710.db2.gz NSXZYRIWQASGES-OAHLLOKOSA-N 1 1 311.454 3.934 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cn1cnc(-c2ccccc2)n1 ZINC000794651994 1034330628 /nfs/dbraw/zinc/33/06/28/1034330628.db2.gz ZJRYXSYRDVZFSC-UHFFFAOYSA-N 1 1 318.424 3.981 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)Cn1cnc(-c2ccccc2)n1 ZINC000794651994 1034330644 /nfs/dbraw/zinc/33/06/44/1034330644.db2.gz ZJRYXSYRDVZFSC-UHFFFAOYSA-N 1 1 318.424 3.981 20 30 DHEDMO C[C@@H](CN1CCCCCC1)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000480702914 1034401694 /nfs/dbraw/zinc/40/16/94/1034401694.db2.gz XDSMUGHFZJWBQK-GJZGRUSLSA-N 1 1 303.425 3.612 20 30 DHEDMO C[C@H](CN1CCCCCC1)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000480702913 1034401841 /nfs/dbraw/zinc/40/18/41/1034401841.db2.gz XDSMUGHFZJWBQK-CABCVRRESA-N 1 1 303.425 3.612 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1Br)C1CC1 ZINC000480708597 1034415489 /nfs/dbraw/zinc/41/54/89/1034415489.db2.gz WXBAUUSRUJVJJT-UHFFFAOYSA-N 1 1 307.235 3.941 20 30 DHEDMO CN(C)c1cccc(C[N@H+](C)Cc2ccc(Cl)cc2C#N)c1 ZINC000480871302 1034482997 /nfs/dbraw/zinc/48/29/97/1034482997.db2.gz UICDLGAPHUHYAM-UHFFFAOYSA-N 1 1 313.832 3.910 20 30 DHEDMO CN(C)c1cccc(C[N@@H+](C)Cc2ccc(Cl)cc2C#N)c1 ZINC000480871302 1034483004 /nfs/dbraw/zinc/48/30/04/1034483004.db2.gz UICDLGAPHUHYAM-UHFFFAOYSA-N 1 1 313.832 3.910 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC001174593420 1034497529 /nfs/dbraw/zinc/49/75/29/1034497529.db2.gz VBVAHMLSLJEWIC-DLBZAZTESA-N 1 1 323.864 3.819 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC001174593420 1034497532 /nfs/dbraw/zinc/49/75/32/1034497532.db2.gz VBVAHMLSLJEWIC-DLBZAZTESA-N 1 1 323.864 3.819 20 30 DHEDMO CCC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000185858105 1034579445 /nfs/dbraw/zinc/57/94/45/1034579445.db2.gz MGAXYIVGZOPKCD-MRXNPFEDSA-N 1 1 310.401 3.763 20 30 DHEDMO C#CCCOc1ccc(C[NH2+]Cc2ccn(C3CCCC3)n2)cc1 ZINC000129028963 1034599402 /nfs/dbraw/zinc/59/94/02/1034599402.db2.gz NQMXJBNZRRNNAQ-UHFFFAOYSA-N 1 1 323.440 3.690 20 30 DHEDMO COc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1C ZINC001174829144 1034624140 /nfs/dbraw/zinc/62/41/40/1034624140.db2.gz FMDQOIZLHGGIOA-UHFFFAOYSA-N 1 1 313.426 3.668 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C1 ZINC001174891724 1034664352 /nfs/dbraw/zinc/66/43/52/1034664352.db2.gz VNXOLBZGGDKXRP-PBHICJAKSA-N 1 1 320.502 3.850 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)C1 ZINC001174891725 1034665128 /nfs/dbraw/zinc/66/51/28/1034665128.db2.gz VNXOLBZGGDKXRP-RHSMWYFYSA-N 1 1 320.502 3.850 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cc(F)c(F)cc3F)sc2C1 ZINC001175086245 1034804943 /nfs/dbraw/zinc/80/49/43/1034804943.db2.gz SPMQQJYYKWLKCK-UHFFFAOYSA-N 1 1 323.343 3.769 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+](Cc1cnc(C3CC3)s1)C2 ZINC000600213026 1034807911 /nfs/dbraw/zinc/80/79/11/1034807911.db2.gz OYELTIWJJAMUON-UHFFFAOYSA-N 1 1 309.438 3.645 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cnc(C3CC3)s1)C2 ZINC000600213026 1034807927 /nfs/dbraw/zinc/80/79/27/1034807927.db2.gz OYELTIWJJAMUON-UHFFFAOYSA-N 1 1 309.438 3.645 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)NCCCCC)c1ccc(F)c(F)c1 ZINC000481600031 1034896970 /nfs/dbraw/zinc/89/69/70/1034896970.db2.gz QEGJUTKTVPNJLB-GUYCJALGSA-N 1 1 324.415 3.867 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)NCCCCC)c1ccc(F)c(F)c1 ZINC000481600032 1034897447 /nfs/dbraw/zinc/89/74/47/1034897447.db2.gz QEGJUTKTVPNJLB-SUMWQHHRSA-N 1 1 324.415 3.867 20 30 DHEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000481721161 1034951242 /nfs/dbraw/zinc/95/12/42/1034951242.db2.gz HTKFYLOFMSZWKA-ZWNOBZJWSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000481721161 1034951248 /nfs/dbraw/zinc/95/12/48/1034951248.db2.gz HTKFYLOFMSZWKA-ZWNOBZJWSA-N 1 1 300.299 3.860 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2C)cc1C#N ZINC000481753092 1034965900 /nfs/dbraw/zinc/96/59/00/1034965900.db2.gz FDCUJMAIMUKALF-BXUZGUMPSA-N 1 1 312.335 3.730 20 30 DHEDMO COc1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c(C#N)c1 ZINC001175506080 1035016640 /nfs/dbraw/zinc/01/66/40/1035016640.db2.gz NGSMZFNOYGFMSF-UHFFFAOYSA-N 1 1 319.408 3.769 20 30 DHEDMO Cc1cncc([C@H]2CCC[N@H+]2CCCOc2cccc(C#N)c2)c1 ZINC001175550864 1035039436 /nfs/dbraw/zinc/03/94/36/1035039436.db2.gz DPKSVFWXYPUHHR-HXUWFJFHSA-N 1 1 321.424 3.868 20 30 DHEDMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cn3ccccc3c2C#N)n1 ZINC000159744853 1035084785 /nfs/dbraw/zinc/08/47/85/1035084785.db2.gz VHHRTWCWUIJCTJ-HXUWFJFHSA-N 1 1 316.408 3.852 20 30 DHEDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2cn3ccccc3c2C#N)n1 ZINC000159744853 1035084792 /nfs/dbraw/zinc/08/47/92/1035084792.db2.gz VHHRTWCWUIJCTJ-HXUWFJFHSA-N 1 1 316.408 3.852 20 30 DHEDMO CC(C)[N@@H+](CCc1nccs1)Cc1ccc(C#N)cc1F ZINC000159792158 1035090422 /nfs/dbraw/zinc/09/04/22/1035090422.db2.gz GBZKMMSZVGSHHP-UHFFFAOYSA-N 1 1 303.406 3.607 20 30 DHEDMO CC(C)[N@@H+](CCc1nccs1)Cc1cc(C#N)ccc1F ZINC000159791828 1035090715 /nfs/dbraw/zinc/09/07/15/1035090715.db2.gz JMQGCEYOWISDEW-UHFFFAOYSA-N 1 1 303.406 3.607 20 30 DHEDMO Cc1cccc([C@H]2CCC[N@H+]2CCCOc2cccc(C#N)c2)n1 ZINC000160044849 1035128386 /nfs/dbraw/zinc/12/83/86/1035128386.db2.gz WRXPJNRMDAEMJH-HXUWFJFHSA-N 1 1 321.424 3.868 20 30 DHEDMO Cc1csc(Nc2cccc(C[NH+]3CCOCC3)c2)c1C#N ZINC001175857455 1035144846 /nfs/dbraw/zinc/14/48/46/1035144846.db2.gz AEVXAYDBQKRNQU-UHFFFAOYSA-N 1 1 313.426 3.504 20 30 DHEDMO C=CCCC[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001176187354 1035215582 /nfs/dbraw/zinc/21/55/82/1035215582.db2.gz CKPJIQDGNMRCEL-FUHWJXTLSA-N 1 1 300.446 3.542 20 30 DHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483255656 1035247784 /nfs/dbraw/zinc/24/77/84/1035247784.db2.gz BLRXRBWFXHLUPL-GDBMZVCRSA-N 1 1 313.445 3.643 20 30 DHEDMO CC[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CC[C@@H]1c1ccccc1 ZINC000483275215 1035250517 /nfs/dbraw/zinc/25/05/17/1035250517.db2.gz YENOMLUOKPTEGU-PXNSSMCTSA-N 1 1 307.441 3.912 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1ccc(-c2ccccc2OC)cc1 ZINC000483423293 1035268338 /nfs/dbraw/zinc/26/83/38/1035268338.db2.gz STYOKLDYBFNNIJ-UHFFFAOYSA-N 1 1 311.425 3.997 20 30 DHEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC001176797548 1035329470 /nfs/dbraw/zinc/32/94/70/1035329470.db2.gz AANWZFBEEDKDNA-CQSZACIVSA-N 1 1 302.418 3.504 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001176813912 1035331747 /nfs/dbraw/zinc/33/17/47/1035331747.db2.gz IAYBVCKFPZQKSR-JKSUJKDBSA-N 1 1 308.466 3.674 20 30 DHEDMO CCOc1ccc(CC[N@@H+](C)Cc2ccc(C)c(C#N)c2)cc1 ZINC001176832969 1035332140 /nfs/dbraw/zinc/33/21/40/1035332140.db2.gz OCEDUEWCGWBYKI-UHFFFAOYSA-N 1 1 308.425 3.940 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1cccs1)CC1CCCCC1 ZINC000484485659 1035339220 /nfs/dbraw/zinc/33/92/20/1035339220.db2.gz JFEUKNGRTUFZKR-OAHLLOKOSA-N 1 1 320.502 3.994 20 30 DHEDMO C=CC[NH2+]Cc1c(F)ccc(C(F)(F)F)c1Br ZINC001177148562 1035352148 /nfs/dbraw/zinc/35/21/48/1035352148.db2.gz IZFSUBYJHGHQLC-UHFFFAOYSA-N 1 1 312.104 3.883 20 30 DHEDMO C=CC[N@H+](CC(=O)NCc1sccc1C)CC1CCCCC1 ZINC000484544701 1035359646 /nfs/dbraw/zinc/35/96/46/1035359646.db2.gz SFFHTMDWRHWNOF-UHFFFAOYSA-N 1 1 320.502 3.741 20 30 DHEDMO C=CC[N@@H+](CC[S@](=O)c1ccccc1)CC1CCCCC1 ZINC000484661761 1035383097 /nfs/dbraw/zinc/38/30/97/1035383097.db2.gz DTDUPDICERULDE-NRFANRHFSA-N 1 1 305.487 3.863 20 30 DHEDMO CCCCCCCC[C@H]([NH3+])c1nc(Cc2ccccn2)no1 ZINC000904510896 1035420821 /nfs/dbraw/zinc/42/08/21/1035420821.db2.gz NQZPVSQVWXBONR-HNNXBMFYSA-N 1 1 302.422 3.806 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(C(F)(F)c2ccc(F)cc2)no1 ZINC000904586826 1035427931 /nfs/dbraw/zinc/42/79/31/1035427931.db2.gz KUSLOZVJUIQVDZ-GFCCVEGCSA-N 1 1 311.307 3.705 20 30 DHEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2ccc(=O)[nH]c2)no1 ZINC000904683104 1035441339 /nfs/dbraw/zinc/44/13/39/1035441339.db2.gz JATZOGHHLHMLAT-ZDUSSCGKSA-N 1 1 304.394 3.588 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H](OCC)c2ccccc2)no1 ZINC000904700252 1035445262 /nfs/dbraw/zinc/44/52/62/1035445262.db2.gz LDZCAGIDEMVMJI-HUUCEWRRSA-N 1 1 301.390 3.552 20 30 DHEDMO C#Cc1cccc(CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001178949050 1035457223 /nfs/dbraw/zinc/45/72/23/1035457223.db2.gz COHHIVZPITYBBB-OAQYLSRUSA-N 1 1 318.464 3.811 20 30 DHEDMO C#Cc1cccc(CN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001178949050 1035457228 /nfs/dbraw/zinc/45/72/28/1035457228.db2.gz COHHIVZPITYBBB-OAQYLSRUSA-N 1 1 318.464 3.811 20 30 DHEDMO COc1cc(C)[nH+]c(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000535282585 1035538618 /nfs/dbraw/zinc/53/86/18/1035538618.db2.gz CXSMUGMXFDNECA-UXHICEINSA-N 1 1 321.424 3.670 20 30 DHEDMO C=CC[N@@H+](C[C@@H](O)c1ccc(F)c(Br)c1)C(C)C ZINC000775573176 1035571642 /nfs/dbraw/zinc/57/16/42/1035571642.db2.gz WZUKUCHDTZYFKQ-CQSZACIVSA-N 1 1 316.214 3.518 20 30 DHEDMO C[C@@H]([NH2+]Cc1cnns1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001193293774 1035603071 /nfs/dbraw/zinc/60/30/71/1035603071.db2.gz RPORZLGBMFCZBH-CYBMUJFWSA-N 1 1 320.421 3.928 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C3CC3)cc2)c1 ZINC001180161670 1035613869 /nfs/dbraw/zinc/61/38/69/1035613869.db2.gz LHWHKABAYRSRFT-UHFFFAOYSA-N 1 1 318.420 3.616 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C3CC3)cc2)c1 ZINC001180161670 1035613879 /nfs/dbraw/zinc/61/38/79/1035613879.db2.gz LHWHKABAYRSRFT-UHFFFAOYSA-N 1 1 318.420 3.616 20 30 DHEDMO C#CC[N@H+](CC)C[C@H](CCC(C)(C)C)NC(=O)OC(C)(C)C ZINC001180280882 1035644304 /nfs/dbraw/zinc/64/43/04/1035644304.db2.gz OZRSPXZPKADTFW-HNNXBMFYSA-N 1 1 310.482 3.661 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cc2c(cc[nH]c2=O)o1 ZINC001180280944 1035644495 /nfs/dbraw/zinc/64/44/95/1035644495.db2.gz RCCIHBWBIPKJGC-UHFFFAOYSA-N 1 1 308.381 3.764 20 30 DHEDMO C=CCCN(CC[N@@H+]1C[C@H](C)C[C@H](C)C1)OCc1ccccc1 ZINC001193562561 1035665373 /nfs/dbraw/zinc/66/53/73/1035665373.db2.gz CAYUTVJJFKLKCP-KDURUIRLSA-N 1 1 316.489 3.974 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2OC)C1 ZINC000668493674 1035669106 /nfs/dbraw/zinc/66/91/06/1035669106.db2.gz QGTWYMCLBMPBGR-CQSZACIVSA-N 1 1 305.418 3.501 20 30 DHEDMO CCc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)nc1 ZINC000569006940 1035712888 /nfs/dbraw/zinc/71/28/88/1035712888.db2.gz QJEWNIVFHOVSLP-PMACEKPBSA-N 1 1 305.425 3.916 20 30 DHEDMO CCc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)nc1 ZINC000569006940 1035712908 /nfs/dbraw/zinc/71/29/08/1035712908.db2.gz QJEWNIVFHOVSLP-PMACEKPBSA-N 1 1 305.425 3.916 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000325425426 1035718462 /nfs/dbraw/zinc/71/84/62/1035718462.db2.gz XYJKQQSTBFJNDA-OAHLLOKOSA-N 1 1 324.424 3.638 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000192018832 1035746566 /nfs/dbraw/zinc/74/65/66/1035746566.db2.gz SVTQZJYVEIFHIV-UHFFFAOYSA-N 1 1 319.448 3.967 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)Cc1csc(-c2ccc(C)o2)n1 ZINC001193913054 1035768315 /nfs/dbraw/zinc/76/83/15/1035768315.db2.gz CSQJZCCMXRBNCQ-UHFFFAOYSA-N 1 1 319.474 3.651 20 30 DHEDMO Cc1ccccc1[C@H]([C@H](C)NCC#Cc1ccccc1)[NH+](C)C ZINC001180943706 1035791952 /nfs/dbraw/zinc/79/19/52/1035791952.db2.gz PWOKJTSUKRNNTO-RXVVDRJESA-N 1 1 306.453 3.628 20 30 DHEDMO Cc1ccccc1[C@@H]([C@H](C)NCC#Cc1ccccc1)[NH+](C)C ZINC001180943704 1035793877 /nfs/dbraw/zinc/79/38/77/1035793877.db2.gz PWOKJTSUKRNNTO-GHTZIAJQSA-N 1 1 306.453 3.628 20 30 DHEDMO CCCCCCC[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001181120009 1035840879 /nfs/dbraw/zinc/84/08/79/1035840879.db2.gz DKQIKSIHPXPCEC-KURKYZTESA-N 1 1 308.510 3.783 20 30 DHEDMO C[C@@H](C#N)c1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2)cc1 ZINC001181139405 1035850481 /nfs/dbraw/zinc/85/04/81/1035850481.db2.gz GCCZJQUNYQABGY-INIZCTEOSA-N 1 1 321.424 3.774 20 30 DHEDMO C=CCc1cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc(OC)c1O ZINC000569122087 1035901804 /nfs/dbraw/zinc/90/18/04/1035901804.db2.gz CSHNHIMDFYHLKD-GOSISDBHSA-N 1 1 324.424 3.514 20 30 DHEDMO C=CC[N@@H+](CCOC)Cc1c(C)ccc(Br)c1F ZINC001181458369 1035917861 /nfs/dbraw/zinc/91/78/61/1035917861.db2.gz VOARMKINODTJHH-UHFFFAOYSA-N 1 1 316.214 3.531 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1c(C)ccc(Br)c1F ZINC001181458369 1035917874 /nfs/dbraw/zinc/91/78/74/1035917874.db2.gz VOARMKINODTJHH-UHFFFAOYSA-N 1 1 316.214 3.531 20 30 DHEDMO CC(C)([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1F ZINC001194683317 1035991850 /nfs/dbraw/zinc/99/18/50/1035991850.db2.gz NEQIIKAUKYUQOD-UHFFFAOYSA-N 1 1 313.332 3.630 20 30 DHEDMO Cc1cc(N(C)C[C@@H](C)C#N)c2cc(OC(F)F)ccc2[nH+]1 ZINC000540288227 1036034227 /nfs/dbraw/zinc/03/42/27/1036034227.db2.gz NKXDKSHGKBXBQZ-JTQLQIEISA-N 1 1 305.328 3.741 20 30 DHEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001194845010 1036063078 /nfs/dbraw/zinc/06/30/78/1036063078.db2.gz CMAKKVDWDPUEFF-QGZVFWFLSA-N 1 1 308.466 3.866 20 30 DHEDMO C=CCC[C@H](C(=O)NC[C@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000494829961 1036073765 /nfs/dbraw/zinc/07/37/65/1036073765.db2.gz RIGIZZZWDSUHPY-MJGOQNOKSA-N 1 1 314.473 3.585 20 30 DHEDMO Cc1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c(F)c1 ZINC001182136864 1036106506 /nfs/dbraw/zinc/10/65/06/1036106506.db2.gz FIVUEPUGBSNKJZ-UHFFFAOYSA-N 1 1 312.388 3.654 20 30 DHEDMO C#CCCCCC(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000773982135 1036106599 /nfs/dbraw/zinc/10/65/99/1036106599.db2.gz PPUFSXYRQPOCEW-UHFFFAOYSA-N 1 1 320.521 3.787 20 30 DHEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC001195093097 1036134035 /nfs/dbraw/zinc/13/40/35/1036134035.db2.gz HIGXWNNWGUHEHY-QGZVFWFLSA-N 1 1 305.874 3.911 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC001195093097 1036134042 /nfs/dbraw/zinc/13/40/42/1036134042.db2.gz HIGXWNNWGUHEHY-QGZVFWFLSA-N 1 1 305.874 3.911 20 30 DHEDMO COC(=O)c1cccc(C[N@H+](C)Cc2ccc(C)c(C)c2)c1C#N ZINC001195148157 1036152382 /nfs/dbraw/zinc/15/23/82/1036152382.db2.gz RVOBOEBPGYNVLB-UHFFFAOYSA-N 1 1 322.408 3.594 20 30 DHEDMO COC(=O)c1cccc(C[N@@H+](C)Cc2ccc(C)c(C)c2)c1C#N ZINC001195148157 1036152388 /nfs/dbraw/zinc/15/23/88/1036152388.db2.gz RVOBOEBPGYNVLB-UHFFFAOYSA-N 1 1 322.408 3.594 20 30 DHEDMO COc1cc2c(cc1F)C[N@@H+]([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000540838120 1036167133 /nfs/dbraw/zinc/16/71/33/1036167133.db2.gz QPJKAZFRZOETCV-CYBMUJFWSA-N 1 1 310.372 3.825 20 30 DHEDMO COc1cc2c(cc1F)C[N@H+]([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000540838120 1036167141 /nfs/dbraw/zinc/16/71/41/1036167141.db2.gz QPJKAZFRZOETCV-CYBMUJFWSA-N 1 1 310.372 3.825 20 30 DHEDMO COC(=O)[C@@H]1CCCC[C@H]1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC001195366649 1036229153 /nfs/dbraw/zinc/22/91/53/1036229153.db2.gz BYPBEYCIQOTTSZ-JCGIZDLHSA-N 1 1 314.429 3.530 20 30 DHEDMO C=C[C@H](CC)CC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001127247498 1036236024 /nfs/dbraw/zinc/23/60/24/1036236024.db2.gz XLPNTJXCOMGVCX-FGTMMUONSA-N 1 1 314.473 3.710 20 30 DHEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001195464486 1036255045 /nfs/dbraw/zinc/25/50/45/1036255045.db2.gz VSALEFIYKGGLDW-GOSISDBHSA-N 1 1 320.436 3.896 20 30 DHEDMO C[N@@H+](CCOc1cccc(Cl)c1)Cc1ccc(CC#N)cc1 ZINC000541281229 1036279190 /nfs/dbraw/zinc/27/91/90/1036279190.db2.gz NKQNVVCGBBOAFH-UHFFFAOYSA-N 1 1 314.816 3.917 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1F)Cc1cc(OC)ccc1O ZINC000775662207 1036280608 /nfs/dbraw/zinc/28/06/08/1036280608.db2.gz DSYAEVYLRGBZNI-UHFFFAOYSA-N 1 1 301.361 3.728 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1F)Cc1cc(OC)ccc1O ZINC000775662207 1036280629 /nfs/dbraw/zinc/28/06/29/1036280629.db2.gz DSYAEVYLRGBZNI-UHFFFAOYSA-N 1 1 301.361 3.728 20 30 DHEDMO CC[N@@H+](CCCc1ccccc1Br)C[C@@H](C)C#N ZINC000541271147 1036280837 /nfs/dbraw/zinc/28/08/37/1036280837.db2.gz JAMCWCYMNOMBLS-ZDUSSCGKSA-N 1 1 309.251 3.863 20 30 DHEDMO Fc1ccc(CN[NH+]=C2CCCNc3ccccc32)cc1F ZINC000774366714 1036299940 /nfs/dbraw/zinc/29/99/40/1036299940.db2.gz DDLAVPUXVDBTPU-UHFFFAOYSA-N 1 1 301.340 3.664 20 30 DHEDMO CC(=NN1CC[NH+](C)CC1)c1ccc(-c2ccccc2F)s1 ZINC000914771996 1036323966 /nfs/dbraw/zinc/32/39/66/1036323966.db2.gz GQCKALTYUZAGTD-UHFFFAOYSA-N 1 1 317.433 3.526 20 30 DHEDMO CC(=[NH+]OC1CCOCC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000774450804 1036340715 /nfs/dbraw/zinc/34/07/15/1036340715.db2.gz LHMRSKTYOBIXOP-UHFFFAOYSA-N 1 1 320.408 3.736 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC001195945711 1036378464 /nfs/dbraw/zinc/37/84/64/1036378464.db2.gz BLWRONJPVVZEDF-CQSZACIVSA-N 1 1 315.392 3.972 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC001182542768 1036384894 /nfs/dbraw/zinc/38/48/94/1036384894.db2.gz FYMAYIDRALQPAW-CYBMUJFWSA-N 1 1 322.246 3.698 20 30 DHEDMO N#CCc1ccc(C[NH2+]Cc2c(Cl)ccnc2Cl)cc1 ZINC001182573852 1036390473 /nfs/dbraw/zinc/39/04/73/1036390473.db2.gz FPMGRCIHHANUKJ-UHFFFAOYSA-N 1 1 306.196 3.744 20 30 DHEDMO Cc1cnc(C(C)(C)[NH2+]CC#Cc2ccccc2Cl)s1 ZINC000541652061 1036398889 /nfs/dbraw/zinc/39/88/89/1036398889.db2.gz JBNDQNYIVCXTSE-UHFFFAOYSA-N 1 1 304.846 3.981 20 30 DHEDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000541697934 1036405997 /nfs/dbraw/zinc/40/59/97/1036405997.db2.gz QRYCXEFAWMGAAR-OAHLLOKOSA-N 1 1 319.836 3.805 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC001195956226 1036407301 /nfs/dbraw/zinc/40/73/01/1036407301.db2.gz XRCFHJAMWYWCFW-IBGZPJMESA-N 1 1 322.383 3.583 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153389664 1036418656 /nfs/dbraw/zinc/41/86/56/1036418656.db2.gz OGDRBKYGCWYYKC-ZDUSSCGKSA-N 1 1 307.353 3.586 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153389664 1036418662 /nfs/dbraw/zinc/41/86/62/1036418662.db2.gz OGDRBKYGCWYYKC-ZDUSSCGKSA-N 1 1 307.353 3.586 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)CCc2ccc(F)cc21 ZINC001182655111 1036422762 /nfs/dbraw/zinc/42/27/62/1036422762.db2.gz VMNUTPSUFMBNQV-CYBMUJFWSA-N 1 1 312.363 3.998 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2c(C)[nH]c(C(=O)OCC)c2C)C1 ZINC001182795673 1036445492 /nfs/dbraw/zinc/44/54/92/1036445492.db2.gz JDLDWQIEICMTAT-HNNXBMFYSA-N 1 1 304.434 3.596 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2c3ccccc3[nH]c2C(=O)OC)C1 ZINC001182796773 1036448742 /nfs/dbraw/zinc/44/87/42/1036448742.db2.gz YVDNTDFPPGCYGL-AWEZNQCLSA-N 1 1 312.413 3.743 20 30 DHEDMO N#Cc1cccc(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)c1F ZINC000774551002 1036462774 /nfs/dbraw/zinc/46/27/74/1036462774.db2.gz MXJJAUKKTOFEGU-FQEVSTJZSA-N 1 1 324.399 3.643 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C)C[C@H](C)C2)c(C#N)c1C ZINC000443660503 1036491456 /nfs/dbraw/zinc/49/14/56/1036491456.db2.gz SBIQIKOVTQRAID-RYUDHWBXSA-N 1 1 319.474 3.543 20 30 DHEDMO CC[N@@H+](CC#CCOC)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001196314046 1036495481 /nfs/dbraw/zinc/49/54/81/1036495481.db2.gz VWOKSKVRUYBZIX-AWEZNQCLSA-N 1 1 313.363 3.608 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC001196323799 1036502867 /nfs/dbraw/zinc/50/28/67/1036502867.db2.gz XPTXFDADJUUWTN-CAKACJFASA-N 1 1 316.489 3.739 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC1(C)C ZINC001196468066 1036540397 /nfs/dbraw/zinc/54/03/97/1036540397.db2.gz CIFUDWDQWAGUBE-GJZGRUSLSA-N 1 1 320.502 3.629 20 30 DHEDMO CC(=[NH+]OC1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000774601358 1036547592 /nfs/dbraw/zinc/54/75/92/1036547592.db2.gz BYTYSDCMYZTNBN-UHFFFAOYSA-N 1 1 322.836 3.860 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1ccnc(N(C)C)c1)c1ccc(F)c(F)c1 ZINC000775723868 1036557855 /nfs/dbraw/zinc/55/78/55/1036557855.db2.gz OIBLEVNPRGCVQF-GOSISDBHSA-N 1 1 317.383 3.833 20 30 DHEDMO Cc1cc(Br)cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1O ZINC000775732855 1036586305 /nfs/dbraw/zinc/58/63/05/1036586305.db2.gz REQXCUFRNXPCPW-JTQLQIEISA-N 1 1 323.234 3.587 20 30 DHEDMO Cc1cc(Br)cc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1O ZINC000775732855 1036586315 /nfs/dbraw/zinc/58/63/15/1036586315.db2.gz REQXCUFRNXPCPW-JTQLQIEISA-N 1 1 323.234 3.587 20 30 DHEDMO C#CC[N@@H+](C/C(C)=C\c1ccccc1OC(F)F)C1CSC1 ZINC001183418883 1036592377 /nfs/dbraw/zinc/59/23/77/1036592377.db2.gz DSAGVQACRVIWTO-LCYFTJDESA-N 1 1 323.408 3.742 20 30 DHEDMO C#CC[N@H+](C/C(C)=C\c1ccccc1OC(F)F)C1CSC1 ZINC001183418883 1036592390 /nfs/dbraw/zinc/59/23/90/1036592390.db2.gz DSAGVQACRVIWTO-LCYFTJDESA-N 1 1 323.408 3.742 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000303525465 1036593637 /nfs/dbraw/zinc/59/36/37/1036593637.db2.gz DUQAHWQDZJUHSO-UHFFFAOYSA-N 1 1 320.452 3.851 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000487303430 1036652344 /nfs/dbraw/zinc/65/23/44/1036652344.db2.gz APNNRPGJLJFAIS-PBHICJAKSA-N 1 1 300.446 3.675 20 30 DHEDMO CSc1ccc(C[NH2+]Cc2cccc(F)c2C#N)cc1C#N ZINC001183801511 1036680033 /nfs/dbraw/zinc/68/00/33/1036680033.db2.gz RVNOYTGFFLBTKJ-UHFFFAOYSA-N 1 1 311.385 3.581 20 30 DHEDMO CCCCCCCC[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001273739097 1036709555 /nfs/dbraw/zinc/70/95/55/1036709555.db2.gz XHWAJOYUIDNZSI-XMTFNYHQSA-N 1 1 306.494 3.536 20 30 DHEDMO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000669943200 1036727661 /nfs/dbraw/zinc/72/76/61/1036727661.db2.gz MWJDWBHJTAZSJQ-CABCVRRESA-N 1 1 317.326 3.513 20 30 DHEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000669943200 1036727677 /nfs/dbraw/zinc/72/76/77/1036727677.db2.gz MWJDWBHJTAZSJQ-CABCVRRESA-N 1 1 317.326 3.513 20 30 DHEDMO C[C@@H]1CC[C@H](CO)[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001197336548 1036761035 /nfs/dbraw/zinc/76/10/35/1036761035.db2.gz ZLYVCGAHSFVIRS-DNVCBOLYSA-N 1 1 306.409 3.570 20 30 DHEDMO COc1cc(C[N@H+]2CCO[C@@H](c3ccccc3)CC2)ccc1C#N ZINC001184352175 1036820407 /nfs/dbraw/zinc/82/04/07/1036820407.db2.gz XYZZCRFNGBEVPT-LJQANCHMSA-N 1 1 322.408 3.530 20 30 DHEDMO CC(C)c1[nH+]c(/C=C\C(=O)c2cncc(F)c2)c2ccccn21 ZINC000762604103 1036871114 /nfs/dbraw/zinc/87/11/14/1036871114.db2.gz MNLKAEQFIVJAND-SREVYHEPSA-N 1 1 309.344 3.888 20 30 DHEDMO Cc1oc(NC(=O)C[N@H+](C(C)C)C2CCCCC2)c(C#N)c1C ZINC000155390005 1036887142 /nfs/dbraw/zinc/88/71/42/1036887142.db2.gz HJXRDBXKAZIUFY-UHFFFAOYSA-N 1 1 317.433 3.750 20 30 DHEDMO CCCCCCCCNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000754865473 1036896294 /nfs/dbraw/zinc/89/62/94/1036896294.db2.gz OFKILRVOBVRUSI-QGZVFWFLSA-N 1 1 311.514 3.767 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(Cl)nc1C(F)(F)F)C(C)(C)C ZINC001197937361 1036913425 /nfs/dbraw/zinc/91/34/25/1036913425.db2.gz MTIRIFJJDWQGTR-UHFFFAOYSA-N 1 1 304.743 3.988 20 30 DHEDMO CC(C)C[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC001198085221 1036944027 /nfs/dbraw/zinc/94/40/27/1036944027.db2.gz QIKZNIWGNNLAOU-GOSISDBHSA-N 1 1 313.489 3.650 20 30 DHEDMO CC(C)C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1C(C)(C)C#N ZINC001198085221 1036944041 /nfs/dbraw/zinc/94/40/41/1036944041.db2.gz QIKZNIWGNNLAOU-GOSISDBHSA-N 1 1 313.489 3.650 20 30 DHEDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1C(C)(C)C#N ZINC001198085221 1036944061 /nfs/dbraw/zinc/94/40/61/1036944061.db2.gz QIKZNIWGNNLAOU-GOSISDBHSA-N 1 1 313.489 3.650 20 30 DHEDMO Cc1cc(CNC2CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC000443976292 1036960248 /nfs/dbraw/zinc/96/02/48/1036960248.db2.gz CVVXDOMBBYUBSY-UHFFFAOYSA-N 1 1 319.452 3.621 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000488420851 1037005510 /nfs/dbraw/zinc/00/55/10/1037005510.db2.gz JHFCDRIABKGKME-OTWHNJEPSA-N 1 1 312.457 3.892 20 30 DHEDMO CC(=O)Nc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000193613619 1037022446 /nfs/dbraw/zinc/02/24/46/1037022446.db2.gz REOCDUYOZQPKDH-UHFFFAOYSA-N 1 1 319.408 3.681 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)CCCC(=O)OC(C)(C)C ZINC001198440536 1037029430 /nfs/dbraw/zinc/02/94/30/1037029430.db2.gz FZGJUKVQPDHARF-UHFFFAOYSA-N 1 1 308.466 3.904 20 30 DHEDMO N#CCc1ccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000237835988 1037029887 /nfs/dbraw/zinc/02/98/87/1037029887.db2.gz MHOPQSKYGWAPFL-FQEVSTJZSA-N 1 1 305.425 3.829 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001198563138 1037058846 /nfs/dbraw/zinc/05/88/46/1037058846.db2.gz IIFQLHCYXDNVKL-ZWKOTPCHSA-N 1 1 317.860 3.830 20 30 DHEDMO C=C(C)CN(CC)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000175647817 1037065698 /nfs/dbraw/zinc/06/56/98/1037065698.db2.gz ZHNVCGLCIPCGNN-QGZVFWFLSA-N 1 1 317.477 3.505 20 30 DHEDMO CCN(C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1)CC(F)(F)F ZINC000176404527 1037138633 /nfs/dbraw/zinc/13/86/33/1037138633.db2.gz XJWUTZMBGOEJBN-AWEZNQCLSA-N 1 1 319.415 3.522 20 30 DHEDMO N#Cc1ccc(Br)c(C[NH2+]Cc2ccccc2F)c1 ZINC001199014088 1037184691 /nfs/dbraw/zinc/18/46/91/1037184691.db2.gz QAOZZIAABQLMFW-UHFFFAOYSA-N 1 1 319.177 3.750 20 30 DHEDMO Cc1cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)ccc1C#N ZINC000774911505 1037206978 /nfs/dbraw/zinc/20/69/78/1037206978.db2.gz HEVDPTUHZKOHED-QZTJIDSGSA-N 1 1 310.397 3.548 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](CNCc1cc(F)cc(F)c1)C(C)C ZINC001199198179 1037212990 /nfs/dbraw/zinc/21/29/90/1037212990.db2.gz NAHJYAFXVAFQAW-GOSISDBHSA-N 1 1 308.416 3.753 20 30 DHEDMO c1ccc(C[N@H+]2C[C@H]3CCCC(=NNC4CCCC4)[C@@H]3C2)cc1 ZINC000781122321 1037230169 /nfs/dbraw/zinc/23/01/69/1037230169.db2.gz MRPHFNWJCXGUBX-IEBWSBKVSA-N 1 1 311.473 3.807 20 30 DHEDMO C=CC[C@@H](NC(=O)c1c[nH+]ccc1N1CCCC1)c1ccccc1 ZINC001199371509 1037252431 /nfs/dbraw/zinc/25/24/31/1037252431.db2.gz WDICWFBOQZNYFZ-GOSISDBHSA-N 1 1 321.424 3.729 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3F)o2)nc1 ZINC000780555092 1037260270 /nfs/dbraw/zinc/26/02/70/1037260270.db2.gz NNTXBICXOAJFSQ-UHFFFAOYSA-N 1 1 307.328 3.642 20 30 DHEDMO C[C@H]1C[C@H](C[N@@H+](C)CC(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC000496136080 1037426123 /nfs/dbraw/zinc/42/61/23/1037426123.db2.gz YEAZTGODWAYOCF-LSDHHAIUSA-N 1 1 323.481 3.504 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c(F)c1 ZINC000609233423 1037443692 /nfs/dbraw/zinc/44/36/92/1037443692.db2.gz BHNGMRCKPSBQAG-LJQANCHMSA-N 1 1 310.372 3.661 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000489466162 1037447318 /nfs/dbraw/zinc/44/73/18/1037447318.db2.gz WNVHGLQMUMFHJD-GOSISDBHSA-N 1 1 324.424 3.750 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000489487050 1037460984 /nfs/dbraw/zinc/46/09/84/1037460984.db2.gz ZXRLXHGTVQFEGM-PKOBYXMFSA-N 1 1 301.430 3.785 20 30 DHEDMO C[N@H+](CCOc1ccccc1Cl)Cc1ccc(F)cc1C#N ZINC000489605968 1037495714 /nfs/dbraw/zinc/49/57/14/1037495714.db2.gz QATSCEQBBROOOS-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[N@@H+](CCOc1ccccc1Cl)Cc1ccc(F)cc1C#N ZINC000489605968 1037495730 /nfs/dbraw/zinc/49/57/30/1037495730.db2.gz QATSCEQBBROOOS-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO CC(=[NH+]Nc1ccc(Br)cc1)c1ccc(N)cc1 ZINC000912828159 1037614938 /nfs/dbraw/zinc/61/49/38/1037614938.db2.gz UPZUWZZUNYMVFR-UHFFFAOYSA-N 1 1 304.191 3.867 20 30 DHEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000493980955 1037618633 /nfs/dbraw/zinc/61/86/33/1037618633.db2.gz HUGNMMUWYWMWKI-LSDHHAIUSA-N 1 1 323.481 3.551 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2ccc3nc(C)sc3c2)CC1 ZINC000494069147 1037638193 /nfs/dbraw/zinc/63/81/93/1037638193.db2.gz MUNRJVKXHFSUQB-UHFFFAOYSA-N 1 1 315.486 3.735 20 30 DHEDMO C=C(CC)C[N@@H+](CCOC)Cc1ccc(Br)s1 ZINC000494070660 1037639275 /nfs/dbraw/zinc/63/92/75/1037639275.db2.gz YELULFROAJRCMN-UHFFFAOYSA-N 1 1 318.280 3.925 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1CCCCC1)[C@@H]2CC ZINC001201388965 1037645829 /nfs/dbraw/zinc/64/58/29/1037645829.db2.gz GXKVZNOJRCSQBR-QUCCMNQESA-N 1 1 318.505 3.988 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H](C)CCC)[C@@H]2CC ZINC001201542841 1037748933 /nfs/dbraw/zinc/74/89/33/1037748933.db2.gz MEYWPHSJNPLUIJ-LMMKCTJWSA-N 1 1 306.494 3.844 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000185030835 1037772769 /nfs/dbraw/zinc/77/27/69/1037772769.db2.gz XEWYUMCELZLJFN-XJKSGUPXSA-N 1 1 308.853 3.661 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000185300740 1037794749 /nfs/dbraw/zinc/79/47/49/1037794749.db2.gz PSIYNDRXHKYRPP-QFBILLFUSA-N 1 1 314.473 3.616 20 30 DHEDMO CCC[N@H+](Cc1ccc(C)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763397996 1037817769 /nfs/dbraw/zinc/81/77/69/1037817769.db2.gz GMMRPXDUMUHYSM-HXUWFJFHSA-N 1 1 308.425 3.812 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC000763404030 1037828807 /nfs/dbraw/zinc/82/88/07/1037828807.db2.gz QJYFAUYQXKXWEZ-CTNGQTDRSA-N 1 1 320.436 3.546 20 30 DHEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763412295 1037831317 /nfs/dbraw/zinc/83/13/17/1037831317.db2.gz WXDYQNZDEKOVCF-NHCUHLMSSA-N 1 1 320.436 3.607 20 30 DHEDMO Cc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1C#N ZINC000488160821 1037848852 /nfs/dbraw/zinc/84/88/52/1037848852.db2.gz UBGYBYJQYBKJKY-UHFFFAOYSA-N 1 1 321.380 3.940 20 30 DHEDMO Cc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)ccc1C#N ZINC000488160821 1037848873 /nfs/dbraw/zinc/84/88/73/1037848873.db2.gz UBGYBYJQYBKJKY-UHFFFAOYSA-N 1 1 321.380 3.940 20 30 DHEDMO CCCCCCC[N@H+]1C[C@H]2CCN(c3ccc(C)nn3)C[C@H]2C1 ZINC001201762829 1037884345 /nfs/dbraw/zinc/88/43/45/1037884345.db2.gz XFDFVEXWAUCEIG-QZTJIDSGSA-N 1 1 316.493 3.514 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@]2(CCN(CC3CC3)C2=O)C1 ZINC001201762454 1037886428 /nfs/dbraw/zinc/88/64/28/1037886428.db2.gz LRJDHBOEWWWGSB-IBGZPJMESA-N 1 1 306.494 3.681 20 30 DHEDMO CCCCCCCC[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001201804759 1037902390 /nfs/dbraw/zinc/90/23/90/1037902390.db2.gz RXBBFUPOPZMVMI-BGYRXZFFSA-N 1 1 315.505 3.806 20 30 DHEDMO CCCCCCC[NH+]1CCN(C(=O)c2ccccc2F)CC1 ZINC001201787746 1037909205 /nfs/dbraw/zinc/90/92/05/1037909205.db2.gz KNILDDJEMXJGFH-UHFFFAOYSA-N 1 1 306.425 3.554 20 30 DHEDMO CCCCCCCCN1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001201826133 1037910494 /nfs/dbraw/zinc/91/04/94/1037910494.db2.gz NRCSHLZVYDXZIL-LJQANCHMSA-N 1 1 310.526 3.922 20 30 DHEDMO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1CCCCCCCC ZINC001201826349 1037911382 /nfs/dbraw/zinc/91/13/82/1037911382.db2.gz SPXRYCGCAKGGLH-GOSISDBHSA-N 1 1 319.493 3.882 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2cc(OC)c(OC)cc2O)CCCC1(C)C ZINC000775180235 1037936509 /nfs/dbraw/zinc/93/65/09/1037936509.db2.gz WICABSWYPPFGJZ-GOSISDBHSA-N 1 1 319.445 3.976 20 30 DHEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000586776207 1037951345 /nfs/dbraw/zinc/95/13/45/1037951345.db2.gz YZXONIHOERBVAS-KXBFYZLASA-N 1 1 321.424 3.935 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](CC)CC(=C)C ZINC000125966515 1037994582 /nfs/dbraw/zinc/99/45/82/1037994582.db2.gz HXVGTTUEYDOKJT-OAHLLOKOSA-N 1 1 306.475 3.549 20 30 DHEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156375205 1038057070 /nfs/dbraw/zinc/05/70/70/1038057070.db2.gz IUGPZFLHKUDUGS-VQTJNVASSA-N 1 1 308.425 3.921 20 30 DHEDMO Cc1nc(C(C)(C)[NH2+]CC#Cc2ccc(F)cc2)sc1C ZINC000126779934 1038104486 /nfs/dbraw/zinc/10/44/86/1038104486.db2.gz NAHRPUUPQRMIAC-UHFFFAOYSA-N 1 1 302.418 3.775 20 30 DHEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1ccccc1C)CC2 ZINC001203704148 1038159634 /nfs/dbraw/zinc/15/96/34/1038159634.db2.gz FYRQPJSYZMNIDO-HXUWFJFHSA-N 1 1 312.457 3.528 20 30 DHEDMO C=CC[N@@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C(C)C ZINC000917069496 1038166762 /nfs/dbraw/zinc/16/67/62/1038166762.db2.gz PXVRJRVQBLQCBI-ZDUSSCGKSA-N 1 1 318.244 3.630 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@H](CC)c1ccc(Cl)cc1)C(C)C ZINC000917068848 1038167157 /nfs/dbraw/zinc/16/71/57/1038167157.db2.gz DTMREVUYWMMRJL-MRXNPFEDSA-N 1 1 308.853 3.804 20 30 DHEDMO C=CC[N@@H+](C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)C(C)C ZINC000917069076 1038167980 /nfs/dbraw/zinc/16/79/80/1038167980.db2.gz GILKDUUHLHJUPV-PBHICJAKSA-N 1 1 311.853 3.675 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)cc1OC ZINC000045004311 1038183982 /nfs/dbraw/zinc/18/39/82/1038183982.db2.gz ZNDBISQNCFGSTK-SFHVURJKSA-N 1 1 322.408 3.913 20 30 DHEDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2C#N)cc1OC ZINC000045004282 1038184278 /nfs/dbraw/zinc/18/42/78/1038184278.db2.gz NMZRZJHTNUNPBJ-GOSISDBHSA-N 1 1 322.408 3.913 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2C#N)cc1OC ZINC000045004282 1038184285 /nfs/dbraw/zinc/18/42/85/1038184285.db2.gz NMZRZJHTNUNPBJ-GOSISDBHSA-N 1 1 322.408 3.913 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1c(CC)cccc1CC ZINC001189788344 1038218198 /nfs/dbraw/zinc/21/81/98/1038218198.db2.gz SLJIVVRABLRZNX-KRWDZBQOSA-N 1 1 315.461 3.583 20 30 DHEDMO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000588200471 1038273904 /nfs/dbraw/zinc/27/39/04/1038273904.db2.gz ZALYDXZJFVQDOS-HNNXBMFYSA-N 1 1 305.219 3.695 20 30 DHEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000588200471 1038273894 /nfs/dbraw/zinc/27/38/94/1038273894.db2.gz ZALYDXZJFVQDOS-HNNXBMFYSA-N 1 1 305.219 3.695 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCCCCC#N)C1 ZINC000588365298 1038309433 /nfs/dbraw/zinc/30/94/33/1038309433.db2.gz PVMMMEORDAUKHN-ZWKOTPCHSA-N 1 1 319.493 3.573 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001190458126 1038324494 /nfs/dbraw/zinc/32/44/94/1038324494.db2.gz XEMOKZYTXIFRMB-NZSAHSFTSA-N 1 1 301.430 3.641 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC001190502804 1038330514 /nfs/dbraw/zinc/33/05/14/1038330514.db2.gz DZWRZFSNGCGSDE-LJQANCHMSA-N 1 1 324.424 3.949 20 30 DHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCC[C@@H]1O ZINC001190616674 1038346892 /nfs/dbraw/zinc/34/68/92/1038346892.db2.gz PUKLDRSBOWUQOC-MOPGFXCFSA-N 1 1 300.446 3.567 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC000775408128 1038375469 /nfs/dbraw/zinc/37/54/69/1038375469.db2.gz HOCFNOVNRORGHJ-AWEZNQCLSA-N 1 1 310.426 3.845 20 30 DHEDMO C[C@@H](O)C[N@@H+](Cc1cc(Cl)cc(C#N)c1)C1CCCCC1 ZINC001190854130 1038395750 /nfs/dbraw/zinc/39/57/50/1038395750.db2.gz FHVHMSRASLESBX-CYBMUJFWSA-N 1 1 306.837 3.727 20 30 DHEDMO CN(CC[N@@H+](C)CC#Cc1cccc(Cl)c1)c1ccccc1 ZINC001190894959 1038402057 /nfs/dbraw/zinc/40/20/57/1038402057.db2.gz KYTDLGGKOJFRNJ-UHFFFAOYSA-N 1 1 312.844 3.760 20 30 DHEDMO CCCCCCCCNC(=O)Nc1cnc2c(c1)C[N@@H+](C)CC2 ZINC001191051368 1038424457 /nfs/dbraw/zinc/42/44/57/1038424457.db2.gz LBLNMXDSOXXSAI-UHFFFAOYSA-N 1 1 318.465 3.552 20 30 DHEDMO CCCCCCCCNC(=O)Nc1cnc2c(c1)C[N@H+](C)CC2 ZINC001191051368 1038424461 /nfs/dbraw/zinc/42/44/61/1038424461.db2.gz LBLNMXDSOXXSAI-UHFFFAOYSA-N 1 1 318.465 3.552 20 30 DHEDMO CC(C)(C)OC(=O)NCCCCCC[N@H+](CC#N)C1CCCC1 ZINC001191110675 1038440133 /nfs/dbraw/zinc/44/01/33/1038440133.db2.gz DEIVGIMAJIEWPH-UHFFFAOYSA-N 1 1 323.481 3.840 20 30 DHEDMO CC(C)(C)OC(=O)NCCCCCC[N@@H+](CC#N)C1CCCC1 ZINC001191110675 1038440138 /nfs/dbraw/zinc/44/01/38/1038440138.db2.gz DEIVGIMAJIEWPH-UHFFFAOYSA-N 1 1 323.481 3.840 20 30 DHEDMO C=C(C)C[NH+]1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000589256548 1038453154 /nfs/dbraw/zinc/45/31/54/1038453154.db2.gz LKBZRXGWRGNXAU-AWEZNQCLSA-N 1 1 301.459 3.551 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000589272789 1038456468 /nfs/dbraw/zinc/45/64/68/1038456468.db2.gz WREADEGWAYTRJJ-ROUUACIJSA-N 1 1 312.457 3.877 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)[C@H](C)c1ccccc1 ZINC001191367088 1038497365 /nfs/dbraw/zinc/49/73/65/1038497365.db2.gz KZUKRNXJXPIERZ-VQIMIIECSA-N 1 1 302.462 3.803 20 30 DHEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)nc1 ZINC000589513809 1038498289 /nfs/dbraw/zinc/49/82/89/1038498289.db2.gz HOVNSLKITWUQRX-UHFFFAOYSA-N 1 1 319.330 3.913 20 30 DHEDMO Cc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)nc1 ZINC000589513809 1038498293 /nfs/dbraw/zinc/49/82/93/1038498293.db2.gz HOVNSLKITWUQRX-UHFFFAOYSA-N 1 1 319.330 3.913 20 30 DHEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001191741184 1038541693 /nfs/dbraw/zinc/54/16/93/1038541693.db2.gz IAKCWTBLTYKGEE-IAGOWNOFSA-N 1 1 304.409 3.723 20 30 DHEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001192185110 1038600013 /nfs/dbraw/zinc/60/00/13/1038600013.db2.gz WGPUZKQSGULKDK-ZDUSSCGKSA-N 1 1 314.816 3.980 20 30 DHEDMO CC[C@@H](C)Oc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1OC ZINC000590373266 1038632644 /nfs/dbraw/zinc/63/26/44/1038632644.db2.gz OTSDSWJEBFYMDQ-CQSZACIVSA-N 1 1 304.434 3.854 20 30 DHEDMO CC[C@@H](C)Oc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1OC ZINC000590373266 1038632690 /nfs/dbraw/zinc/63/26/90/1038632690.db2.gz OTSDSWJEBFYMDQ-CQSZACIVSA-N 1 1 304.434 3.854 20 30 DHEDMO Cc1c(C#N)c(N2CCC[N@H+](C(C)(C)C)CC2)nc2ccccc12 ZINC000590687329 1038683399 /nfs/dbraw/zinc/68/33/99/1038683399.db2.gz NYSWJCKHMWHKIJ-UHFFFAOYSA-N 1 1 322.456 3.726 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1F ZINC000598626451 1038801290 /nfs/dbraw/zinc/80/12/90/1038801290.db2.gz WMLACTJCMKPDJB-LPHOPBHVSA-N 1 1 318.436 3.523 20 30 DHEDMO COc1nc(C)cc(C)c1C[N@H+](C)Cc1ccc(C#N)cc1C ZINC000598649248 1038807879 /nfs/dbraw/zinc/80/78/79/1038807879.db2.gz MWMIBGARESJEPD-UHFFFAOYSA-N 1 1 309.413 3.519 20 30 DHEDMO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000598649248 1038807897 /nfs/dbraw/zinc/80/78/97/1038807897.db2.gz MWMIBGARESJEPD-UHFFFAOYSA-N 1 1 309.413 3.519 20 30 DHEDMO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(C#N)c(Cl)c1 ZINC000591573305 1038935803 /nfs/dbraw/zinc/93/58/03/1038935803.db2.gz IIOIBBDXODAKGB-CJNGLKHVSA-N 1 1 305.853 3.612 20 30 DHEDMO CC(C)c1ncc2c(n1)CC[N@H+](CCCCC(C)(C)C#N)C2 ZINC000598936767 1038948614 /nfs/dbraw/zinc/94/86/14/1038948614.db2.gz KDYDSAVIEPRVGO-UHFFFAOYSA-N 1 1 300.450 3.678 20 30 DHEDMO N#Cc1cnccc1S[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000591827423 1039013260 /nfs/dbraw/zinc/01/32/60/1039013260.db2.gz CSTKQCZISIJFAV-KRWDZBQOSA-N 1 1 309.438 3.710 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nn(C)c2ccccc12 ZINC000591839133 1039015882 /nfs/dbraw/zinc/01/58/82/1039015882.db2.gz SPPXMKRJSMTVNX-AWEZNQCLSA-N 1 1 304.397 3.638 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nn(C)c2ccccc12 ZINC000591839133 1039015898 /nfs/dbraw/zinc/01/58/98/1039015898.db2.gz SPPXMKRJSMTVNX-AWEZNQCLSA-N 1 1 304.397 3.638 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCOC1 ZINC000593674382 1039034467 /nfs/dbraw/zinc/03/44/67/1039034467.db2.gz RACPCCHDACKOAG-AWEZNQCLSA-N 1 1 312.335 3.578 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000592062735 1039108800 /nfs/dbraw/zinc/10/88/00/1039108800.db2.gz DAYUYYFJEFHLDR-KRWDZBQOSA-N 1 1 311.816 3.814 20 30 DHEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000592062735 1039108806 /nfs/dbraw/zinc/10/88/06/1039108806.db2.gz DAYUYYFJEFHLDR-KRWDZBQOSA-N 1 1 311.816 3.814 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)cc1C#N ZINC000599300396 1039116064 /nfs/dbraw/zinc/11/60/64/1039116064.db2.gz XKICJRQICOKJMO-HXUWFJFHSA-N 1 1 306.409 3.749 20 30 DHEDMO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3C)C2)cc1C#N ZINC000599300396 1039116072 /nfs/dbraw/zinc/11/60/72/1039116072.db2.gz XKICJRQICOKJMO-HXUWFJFHSA-N 1 1 306.409 3.749 20 30 DHEDMO Cc1ccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc1C#N ZINC000599300570 1039116883 /nfs/dbraw/zinc/11/68/83/1039116883.db2.gz SLBKRBXFJCNRQT-HXUWFJFHSA-N 1 1 320.436 3.905 20 30 DHEDMO C=C(C)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132220 1039123242 /nfs/dbraw/zinc/12/32/42/1039123242.db2.gz CNLULDCKRNBYMF-QAQDUYKDSA-N 1 1 318.417 3.667 20 30 DHEDMO C[N@H+](Cc1ccncc1C#N)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000592121828 1039123959 /nfs/dbraw/zinc/12/39/59/1039123959.db2.gz IUOKUMAZOOCTND-MOPGFXCFSA-N 1 1 321.424 3.631 20 30 DHEDMO C[N@@H+](Cc1ccncc1C#N)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000592121828 1039123966 /nfs/dbraw/zinc/12/39/66/1039123966.db2.gz IUOKUMAZOOCTND-MOPGFXCFSA-N 1 1 321.424 3.631 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+](Cc1cccc(Cl)c1)C(C)C ZINC000061254965 1039134239 /nfs/dbraw/zinc/13/42/39/1039134239.db2.gz ZNACBWUFVMTCLP-UHFFFAOYSA-N 1 1 320.864 3.751 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000592168626 1039137174 /nfs/dbraw/zinc/13/71/74/1039137174.db2.gz SXUSUJNBYOQLSS-OALUTQOASA-N 1 1 314.473 3.774 20 30 DHEDMO CC[N@H+](CCSC)Cc1ccc(C#N)cc1Br ZINC000592204388 1039182136 /nfs/dbraw/zinc/18/21/36/1039182136.db2.gz RUBMCMBMHQWSTF-UHFFFAOYSA-N 1 1 313.264 3.506 20 30 DHEDMO CC[N@@H+](CCSC)Cc1ccc(C#N)cc1Br ZINC000592204388 1039182144 /nfs/dbraw/zinc/18/21/44/1039182144.db2.gz RUBMCMBMHQWSTF-UHFFFAOYSA-N 1 1 313.264 3.506 20 30 DHEDMO C[N@@H+](CCCCc1ccccc1)CCOc1cccc(C#N)c1 ZINC000603854581 1039189394 /nfs/dbraw/zinc/18/93/94/1039189394.db2.gz FXUNNKGPQKIKPU-UHFFFAOYSA-N 1 1 308.425 3.892 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000599529546 1039201330 /nfs/dbraw/zinc/20/13/30/1039201330.db2.gz NSHKVANSEOJYGU-LBPRGKRZSA-N 1 1 305.219 3.719 20 30 DHEDMO COCC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C)cc1C ZINC000603895372 1039205504 /nfs/dbraw/zinc/20/55/04/1039205504.db2.gz RNPYVQMVJLNTLR-UHFFFAOYSA-N 1 1 308.425 3.824 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000599629803 1039236000 /nfs/dbraw/zinc/23/60/00/1039236000.db2.gz MSBCXGQOZVXTGN-IRXDYDNUSA-N 1 1 318.436 3.694 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CCCC#N ZINC000599653891 1039255685 /nfs/dbraw/zinc/25/56/85/1039255685.db2.gz WSMUSWFDIAUVAZ-TZMCWYRMSA-N 1 1 307.235 3.931 20 30 DHEDMO C/C=C\C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000599690239 1039261345 /nfs/dbraw/zinc/26/13/45/1039261345.db2.gz LZQUOYYHUZRKPL-RXYHWBRQSA-N 1 1 322.412 3.786 20 30 DHEDMO Cc1ccc(CN2CC[C@H](C[N@H+](C)[C@@H]3CC[C@H](C#N)C3)C2)s1 ZINC000593030874 1039359446 /nfs/dbraw/zinc/35/94/46/1039359446.db2.gz PIXCPZRNKNNPON-GVDBMIGSSA-N 1 1 317.502 3.503 20 30 DHEDMO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)CCc2ccc(Cl)cc21 ZINC000593068076 1039361767 /nfs/dbraw/zinc/36/17/67/1039361767.db2.gz XYUVLRFEIRITSO-ZIAGYGMSSA-N 1 1 301.821 3.745 20 30 DHEDMO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CCc2ccc(Cl)cc21 ZINC000593068076 1039361783 /nfs/dbraw/zinc/36/17/83/1039361783.db2.gz XYUVLRFEIRITSO-ZIAGYGMSSA-N 1 1 301.821 3.745 20 30 DHEDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCCCC(C)(C)C#N ZINC000593053240 1039377844 /nfs/dbraw/zinc/37/78/44/1039377844.db2.gz YWBPMHYDRXPYSC-HUUCEWRRSA-N 1 1 308.466 3.901 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2F)ccn1 ZINC000593080092 1039428842 /nfs/dbraw/zinc/42/88/42/1039428842.db2.gz DVCAQPRAUMWTBA-SFHVURJKSA-N 1 1 309.388 3.690 20 30 DHEDMO N#CCSCCC[N@@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000593083531 1039431869 /nfs/dbraw/zinc/43/18/69/1039431869.db2.gz OHHMGCPXBSAHAM-INIZCTEOSA-N 1 1 306.450 3.870 20 30 DHEDMO C[C@H](CCO)[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000593108924 1039438955 /nfs/dbraw/zinc/43/89/55/1039438955.db2.gz UCKXONXKAMKOCA-GOSISDBHSA-N 1 1 322.452 3.589 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000604392924 1039462707 /nfs/dbraw/zinc/46/27/07/1039462707.db2.gz LHAHXRLEDOXRIP-JENIJYKNSA-N 1 1 314.473 3.678 20 30 DHEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc(OC)cc1 ZINC000604492892 1039485302 /nfs/dbraw/zinc/48/53/02/1039485302.db2.gz RCBFDPPVLCFSNI-UHFFFAOYSA-N 1 1 324.424 3.858 20 30 DHEDMO N#Cc1ccc(C[NH2+]CC2(C#N)CCCC2)c(C(F)(F)F)c1 ZINC000593654536 1039579698 /nfs/dbraw/zinc/57/96/98/1039579698.db2.gz GEGCJBJAIJQWGN-UHFFFAOYSA-N 1 1 307.319 3.751 20 30 DHEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CCCC1 ZINC000593652983 1039580613 /nfs/dbraw/zinc/58/06/13/1039580613.db2.gz USZXYCRJXHYEMR-UHFFFAOYSA-N 1 1 314.820 3.904 20 30 DHEDMO Cn1c2ccc(F)cc2[nH+]c1NCc1ccc(C(C)(C)C#N)cc1 ZINC000593945316 1039632608 /nfs/dbraw/zinc/63/26/08/1039632608.db2.gz UUHSJFROAWWCGR-UHFFFAOYSA-N 1 1 322.387 4.126 20 30 DHEDMO N#CCCCC[C@H]([NH3+])c1nc(C23CC4CC(CC(C4)C2)C3)no1 ZINC000593941869 1039633617 /nfs/dbraw/zinc/63/36/17/1039633617.db2.gz CCJZLEFAZWXBLI-URZJAHPPSA-N 1 1 314.433 3.621 20 30 DHEDMO Cc1cc(C[NH+]2CCC(C#N)CC2)cc(C)c1Br ZINC001232517834 1039695629 /nfs/dbraw/zinc/69/56/29/1039695629.db2.gz AAOCCGPKCBGRDG-UHFFFAOYSA-N 1 1 307.235 3.802 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2c(c(Cl)c1)OCO2 ZINC000046528812 1039734292 /nfs/dbraw/zinc/73/42/92/1039734292.db2.gz SOKIEKGIZITMKZ-UHFFFAOYSA-N 1 1 314.772 3.572 20 30 DHEDMO C[N@H+](Cc1cc(-c2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000046529272 1039735533 /nfs/dbraw/zinc/73/55/33/1039735533.db2.gz SFHKZRWUSCFMPV-UHFFFAOYSA-N 1 1 303.365 3.845 20 30 DHEDMO C[N@@H+](Cc1cc(-c2ccccc2)no1)Cc1ccc(C#N)cc1 ZINC000046529272 1039735546 /nfs/dbraw/zinc/73/55/46/1039735546.db2.gz SFHKZRWUSCFMPV-UHFFFAOYSA-N 1 1 303.365 3.845 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000605738769 1039747033 /nfs/dbraw/zinc/74/70/33/1039747033.db2.gz RKWACBSQQJOVBP-QGZVFWFLSA-N 1 1 314.473 3.712 20 30 DHEDMO C[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)[N@@H+]1CCCC[C@H]1C ZINC000594496031 1039797460 /nfs/dbraw/zinc/79/74/60/1039797460.db2.gz XSGHNDRHBGPFMA-SJORKVTESA-N 1 1 313.489 3.840 20 30 DHEDMO C[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)[N@H+]1CCCC[C@H]1C ZINC000594496031 1039797480 /nfs/dbraw/zinc/79/74/80/1039797480.db2.gz XSGHNDRHBGPFMA-SJORKVTESA-N 1 1 313.489 3.840 20 30 DHEDMO CC(C)[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)N1CCCC1 ZINC000594494922 1039798992 /nfs/dbraw/zinc/79/89/92/1039798992.db2.gz LKLLZFUCPNSCHW-LJQANCHMSA-N 1 1 313.489 3.698 20 30 DHEDMO N#Cc1ccc2nc(N[C@H]3CCC[N@H+]4CCCC[C@@H]34)ccc2c1 ZINC000594598769 1039844204 /nfs/dbraw/zinc/84/42/04/1039844204.db2.gz HTZTZBPHNQCDIW-ROUUACIJSA-N 1 1 306.413 3.535 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000606454350 1039891732 /nfs/dbraw/zinc/89/17/32/1039891732.db2.gz LYZNWGWSQSKWAX-QGZVFWFLSA-N 1 1 318.461 3.930 20 30 DHEDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000615224989 1039933721 /nfs/dbraw/zinc/93/37/21/1039933721.db2.gz GDDHWGKUGXGHNK-KRWDZBQOSA-N 1 1 314.820 3.591 20 30 DHEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000615224989 1039933734 /nfs/dbraw/zinc/93/37/34/1039933734.db2.gz GDDHWGKUGXGHNK-KRWDZBQOSA-N 1 1 314.820 3.591 20 30 DHEDMO CSCc1cnc(C[NH2+]C(C)(C)c2cccc(C#N)c2)s1 ZINC000594970035 1039949989 /nfs/dbraw/zinc/94/99/89/1039949989.db2.gz RZGHMADAMLYYJN-UHFFFAOYSA-N 1 1 317.483 3.903 20 30 DHEDMO COC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(C)o1 ZINC000594941291 1039957083 /nfs/dbraw/zinc/95/70/83/1039957083.db2.gz RMHXJARSBHXQGZ-QGZVFWFLSA-N 1 1 310.397 3.621 20 30 DHEDMO CCCCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C(C)C ZINC000059385049 1039967923 /nfs/dbraw/zinc/96/79/23/1039967923.db2.gz PJPZLHQRFYNMRX-UHFFFAOYSA-N 1 1 315.461 3.834 20 30 DHEDMO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)cc1OC ZINC000595101602 1040068048 /nfs/dbraw/zinc/06/80/48/1040068048.db2.gz XIHNFHAZNVFMCU-CQSZACIVSA-N 1 1 302.418 3.828 20 30 DHEDMO COc1ccc2c(c1)[C@H]([NH2+]CC1(C#N)CCCCC1)CCCO2 ZINC000595090167 1040075086 /nfs/dbraw/zinc/07/50/86/1040075086.db2.gz DPSPINVJZYHVNA-QGZVFWFLSA-N 1 1 314.429 3.973 20 30 DHEDMO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000595327734 1040098818 /nfs/dbraw/zinc/09/88/18/1040098818.db2.gz QWNBVBVVLJJHGL-FOIQADDNSA-N 1 1 324.399 3.702 20 30 DHEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](C#N)c1ccccc1 ZINC000595334023 1040102427 /nfs/dbraw/zinc/10/24/27/1040102427.db2.gz LMRRTYVOPSWOPT-FPOVZHCZSA-N 1 1 319.452 3.705 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN([C@H](C#N)c2ccccc2)C1 ZINC000595323786 1040109223 /nfs/dbraw/zinc/10/92/23/1040109223.db2.gz PHWOAELVPXBSQR-QWFCFKBJSA-N 1 1 311.473 3.838 20 30 DHEDMO C[C@@H]1CN([C@H](C#N)c2ccc(Cl)cc2)CC[N@H+](C2CCC2)C1 ZINC000595502992 1040156242 /nfs/dbraw/zinc/15/62/42/1040156242.db2.gz YHCKSQSAAHFRNY-KBXCAEBGSA-N 1 1 317.864 3.711 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000595620254 1040193114 /nfs/dbraw/zinc/19/31/14/1040193114.db2.gz LDVZMETZWDRVTN-OAHLLOKOSA-N 1 1 322.330 3.562 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000595620254 1040193118 /nfs/dbraw/zinc/19/31/18/1040193118.db2.gz LDVZMETZWDRVTN-OAHLLOKOSA-N 1 1 322.330 3.562 20 30 DHEDMO C[C@@H](CCC#N)[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595619326 1040193267 /nfs/dbraw/zinc/19/32/67/1040193267.db2.gz XUSFYDKMLHZOPY-YOEHRIQHSA-N 1 1 314.429 3.620 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c(Br)c1 ZINC000595623983 1040195499 /nfs/dbraw/zinc/19/54/99/1040195499.db2.gz ZXTAKHBOTZXLBM-CYBMUJFWSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(Br)c1 ZINC000595623983 1040195508 /nfs/dbraw/zinc/19/55/08/1040195508.db2.gz ZXTAKHBOTZXLBM-CYBMUJFWSA-N 1 1 307.235 3.883 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000595623061 1040196289 /nfs/dbraw/zinc/19/62/89/1040196289.db2.gz GCCWJAMOYWYPKG-KRWDZBQOSA-N 1 1 321.424 3.786 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000595623061 1040196296 /nfs/dbraw/zinc/19/62/96/1040196296.db2.gz GCCWJAMOYWYPKG-KRWDZBQOSA-N 1 1 321.424 3.786 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CCc2ccccc21 ZINC000593089869 1040207538 /nfs/dbraw/zinc/20/75/38/1040207538.db2.gz FXRYSWUAKCDHCU-AWEZNQCLSA-N 1 1 321.380 3.628 20 30 DHEDMO CCOc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1OCC ZINC000595610462 1040208381 /nfs/dbraw/zinc/20/83/81/1040208381.db2.gz ZDJISOADEDBKRH-HNNXBMFYSA-N 1 1 302.418 3.610 20 30 DHEDMO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@H](CC(F)(F)F)O1 ZINC000595892160 1040270026 /nfs/dbraw/zinc/27/00/26/1040270026.db2.gz KESKJGWVAMROQK-KGLIPLIRSA-N 1 1 318.383 3.892 20 30 DHEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@H](CC(F)(F)F)O1 ZINC000595892160 1040270038 /nfs/dbraw/zinc/27/00/38/1040270038.db2.gz KESKJGWVAMROQK-KGLIPLIRSA-N 1 1 318.383 3.892 20 30 DHEDMO CCC[N@@H+](C)CC(C)(C)NCc1ccccc1C(C)(C)C#N ZINC000595873138 1040277863 /nfs/dbraw/zinc/27/78/63/1040277863.db2.gz LFGMFBSAIDVXMG-UHFFFAOYSA-N 1 1 301.478 3.698 20 30 DHEDMO CCCN(C)CC(C)(C)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000595873138 1040277878 /nfs/dbraw/zinc/27/78/78/1040277878.db2.gz LFGMFBSAIDVXMG-UHFFFAOYSA-N 1 1 301.478 3.698 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094812 1040306867 /nfs/dbraw/zinc/30/68/67/1040306867.db2.gz MKTGHHSEIMJKLS-WIYYLYMNSA-N 1 1 323.484 3.647 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094812 1040306881 /nfs/dbraw/zinc/30/68/81/1040306881.db2.gz MKTGHHSEIMJKLS-WIYYLYMNSA-N 1 1 323.484 3.647 20 30 DHEDMO CC1(C)C[N@@H+](CCCOc2cccc(C#N)c2)[C@@H]1c1ccncc1 ZINC000596591215 1040502899 /nfs/dbraw/zinc/50/28/99/1040502899.db2.gz IHEIADKBSQMQBR-LJQANCHMSA-N 1 1 321.424 3.805 20 30 DHEDMO Cn1ncc2c1CC(C)(C)C[N@@H+](CCC1(C#N)CCCCC1)C2 ZINC000596597736 1040507527 /nfs/dbraw/zinc/50/75/27/1040507527.db2.gz DZPDCLYYGQEEGG-UHFFFAOYSA-N 1 1 314.477 3.669 20 30 DHEDMO C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccc(C#N)cc2CO)c1 ZINC000596634540 1040531662 /nfs/dbraw/zinc/53/16/62/1040531662.db2.gz JPYLNRYYBHGBIW-OAHLLOKOSA-N 1 1 306.409 3.702 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000076737878 1040576908 /nfs/dbraw/zinc/57/69/08/1040576908.db2.gz PHCQFDUJFAWSLM-QGZVFWFLSA-N 1 1 313.445 3.528 20 30 DHEDMO CC[N@@H+](Cc1c(C2CC2)cnn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000596983675 1040617858 /nfs/dbraw/zinc/61/78/58/1040617858.db2.gz DPGYYGWOAKGOOD-CQSZACIVSA-N 1 1 308.429 3.752 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCOC4(CCCCC4)C3)cc2)CC1 ZINC000597013409 1040625214 /nfs/dbraw/zinc/62/52/14/1040625214.db2.gz GDQCWKGUMPGOBR-UHFFFAOYSA-N 1 1 310.441 3.777 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCOC[C@H]3c3ccccc3)cc2)CC1 ZINC000597015066 1040634149 /nfs/dbraw/zinc/63/41/49/1040634149.db2.gz UUOJQVXBGOQNOL-FQEVSTJZSA-N 1 1 318.420 3.815 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCOC[C@H]3c3ccccc3)cc2)CC1 ZINC000597015066 1040634156 /nfs/dbraw/zinc/63/41/56/1040634156.db2.gz UUOJQVXBGOQNOL-FQEVSTJZSA-N 1 1 318.420 3.815 20 30 DHEDMO COc1ccc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)cc1C#N ZINC000174415452 1040634605 /nfs/dbraw/zinc/63/46/05/1040634605.db2.gz KEXSRGVGKYOVOH-UHFFFAOYSA-N 1 1 315.442 3.665 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000597085374 1040650788 /nfs/dbraw/zinc/65/07/88/1040650788.db2.gz DYQGZEXERZTABT-GFCCVEGCSA-N 1 1 307.191 3.977 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000597085375 1040651443 /nfs/dbraw/zinc/65/14/43/1040651443.db2.gz DYQGZEXERZTABT-LBPRGKRZSA-N 1 1 307.191 3.977 20 30 DHEDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597131107 1040659330 /nfs/dbraw/zinc/65/93/30/1040659330.db2.gz WIQNWMQUCGXHHZ-MRXNPFEDSA-N 1 1 300.471 3.817 20 30 DHEDMO C[N@H+]1CCN(Cc2ccc(C3(C#N)CC3)cc2)c2ccccc2C1 ZINC000597135331 1040660903 /nfs/dbraw/zinc/66/09/03/1040660903.db2.gz NSPBZWNTYWAXQY-UHFFFAOYSA-N 1 1 317.436 3.694 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)cc2)CC1 ZINC000597137799 1040662097 /nfs/dbraw/zinc/66/20/97/1040662097.db2.gz YTAGMDHJXBSRRC-XUVXKRRUSA-N 1 1 324.468 3.757 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCOCC34CCCCC4)cc2)CC1 ZINC000597143355 1040663755 /nfs/dbraw/zinc/66/37/55/1040663755.db2.gz GQBMYAGIBZRKIC-UHFFFAOYSA-N 1 1 310.441 3.777 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@]4(CCSC4)C3)cc2)CC1 ZINC000597145517 1040665443 /nfs/dbraw/zinc/66/54/43/1040665443.db2.gz ZZRNAHFBFVLCFI-GOSISDBHSA-N 1 1 312.482 3.961 20 30 DHEDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C12CCC2 ZINC000597151485 1040666771 /nfs/dbraw/zinc/66/67/71/1040666771.db2.gz NBDRHUPOPSVFOC-QZTJIDSGSA-N 1 1 310.441 3.631 20 30 DHEDMO C[C@@H]1CC2(C[N@H+]1Cc1ccc(C3(C#N)CC3)cc1)CCOCC2 ZINC000597154566 1040667400 /nfs/dbraw/zinc/66/74/00/1040667400.db2.gz ATKIOIMDLJEOOG-MRXNPFEDSA-N 1 1 310.441 3.633 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000597175384 1040675703 /nfs/dbraw/zinc/67/57/03/1040675703.db2.gz YPVFIUYBWNBDMQ-AWEZNQCLSA-N 1 1 314.820 3.651 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000597218272 1040690008 /nfs/dbraw/zinc/69/00/08/1040690008.db2.gz ONQYECOOVVKTJE-MRXNPFEDSA-N 1 1 302.418 3.763 20 30 DHEDMO CC[N@@H+](CCOc1ccccc1OC)CC(C)(C)CCC#N ZINC000597240603 1040699853 /nfs/dbraw/zinc/69/98/53/1040699853.db2.gz XFAXNANWTYFXRR-UHFFFAOYSA-N 1 1 304.434 3.726 20 30 DHEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)ccc1Br ZINC001232894348 1040705443 /nfs/dbraw/zinc/70/54/43/1040705443.db2.gz YKPFORTWDJDVNJ-OKILXGFUSA-N 1 1 319.246 3.943 20 30 DHEDMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H]1CCC[C@H]1O ZINC000534381707 1040839141 /nfs/dbraw/zinc/83/91/41/1040839141.db2.gz BNEOUDURPSSRMK-TZIWHRDSSA-N 1 1 320.436 3.818 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1csc(Br)c1 ZINC000602451037 1041029584 /nfs/dbraw/zinc/02/95/84/1041029584.db2.gz YQZRUMJTBYSWNW-SNVBAGLBSA-N 1 1 301.253 3.882 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H](C)CCC#N)c(OC)c1 ZINC000602437376 1041031441 /nfs/dbraw/zinc/03/14/41/1041031441.db2.gz VTDXGKLDNVOHLE-YOEHRIQHSA-N 1 1 302.418 3.781 20 30 DHEDMO Cc1ncc([C@@H](C)[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(C)n1 ZINC000602440270 1041034480 /nfs/dbraw/zinc/03/44/80/1041034480.db2.gz PMWQAMMTPAJMFH-OAHLLOKOSA-N 1 1 308.429 3.937 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000602448310 1041035947 /nfs/dbraw/zinc/03/59/47/1041035947.db2.gz DWEDTACSIFCAEQ-MXWKQRLJSA-N 1 1 316.289 3.989 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000602474831 1041039219 /nfs/dbraw/zinc/03/92/19/1041039219.db2.gz NZVVLKZRAJBQSP-HBFSDRIKSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NCc3cccc(C#N)n3)cc2)C1 ZINC000602482597 1041053491 /nfs/dbraw/zinc/05/34/91/1041053491.db2.gz FLVHXURUOPJIDQ-MRXNPFEDSA-N 1 1 320.440 3.797 20 30 DHEDMO Cc1ncc([C@H](C)[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C)n1 ZINC000602483572 1041054745 /nfs/dbraw/zinc/05/47/45/1041054745.db2.gz MUEAIKZASDATHF-QKYXUNIQSA-N 1 1 320.440 3.926 20 30 DHEDMO Cc1ncc([C@H](C)[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C)n1 ZINC000602483572 1041054762 /nfs/dbraw/zinc/05/47/62/1041054762.db2.gz MUEAIKZASDATHF-QKYXUNIQSA-N 1 1 320.440 3.926 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000602488445 1041057196 /nfs/dbraw/zinc/05/71/96/1041057196.db2.gz YDCBVQNCGFNBTJ-GFCCVEGCSA-N 1 1 300.324 3.957 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000602488025 1041058176 /nfs/dbraw/zinc/05/81/76/1041058176.db2.gz YNCMYQDGCYTSEQ-BBBLOLIVSA-N 1 1 302.262 3.599 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000602637643 1041140544 /nfs/dbraw/zinc/14/05/44/1041140544.db2.gz NNGNWRVDJIXOJG-SJORKVTESA-N 1 1 322.456 3.685 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000602707903 1041170909 /nfs/dbraw/zinc/17/09/09/1041170909.db2.gz VXQMSXZPBLNKAM-LBPRGKRZSA-N 1 1 301.340 3.639 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000602707903 1041170918 /nfs/dbraw/zinc/17/09/18/1041170918.db2.gz VXQMSXZPBLNKAM-LBPRGKRZSA-N 1 1 301.340 3.639 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)ccc1C#N ZINC000602732234 1041185049 /nfs/dbraw/zinc/18/50/49/1041185049.db2.gz QXIDRZLUFXBNQM-UXHICEINSA-N 1 1 306.409 3.565 20 30 DHEDMO C[C@@H]1C[N@H+](CCCCc2cccc(Cl)c2)C[C@H](C)N1CC#N ZINC000602849054 1041259001 /nfs/dbraw/zinc/25/90/01/1041259001.db2.gz JNZQMOMTWQKEBW-IYBDPMFKSA-N 1 1 319.880 3.581 20 30 DHEDMO C[C@@H](CC#N)[NH2+]CCSc1ccnc2cc(Cl)ccc21 ZINC000602870892 1041280022 /nfs/dbraw/zinc/28/00/22/1041280022.db2.gz YIKJHOAXULQBPP-NSHDSACASA-N 1 1 305.834 3.872 20 30 DHEDMO Cc1ccc([C@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)cc1C ZINC000598585819 1041347144 /nfs/dbraw/zinc/34/71/44/1041347144.db2.gz AHVAWJXJWNZCEI-QZTJIDSGSA-N 1 1 300.446 3.741 20 30 DHEDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C2CC2)o1 ZINC000598585163 1041347469 /nfs/dbraw/zinc/34/74/69/1041347469.db2.gz VKMJASXXIDRIPU-UKPHBRMFSA-N 1 1 316.445 3.668 20 30 DHEDMO C[N@@H+](Cc1c(Cl)cccc1Cl)C[C@@H](O)CC(C)(C)C#N ZINC000598587030 1041348453 /nfs/dbraw/zinc/34/84/53/1041348453.db2.gz LWMTVEDXYROQFP-NSHDSACASA-N 1 1 315.244 3.726 20 30 DHEDMO C[N@H+](Cc1c(Cl)cccc1Cl)C[C@@H](O)CC(C)(C)C#N ZINC000598587030 1041348484 /nfs/dbraw/zinc/34/84/84/1041348484.db2.gz LWMTVEDXYROQFP-NSHDSACASA-N 1 1 315.244 3.726 20 30 DHEDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598590172 1041350747 /nfs/dbraw/zinc/35/07/47/1041350747.db2.gz LNEFKHUKZJPTCM-IPMKNSEASA-N 1 1 314.473 3.945 20 30 DHEDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598592101 1041351488 /nfs/dbraw/zinc/35/14/88/1041351488.db2.gz FMLBNGDISFUGRO-WMZOPIPTSA-N 1 1 300.446 3.543 20 30 DHEDMO COc1ccccc1[C@H]1CCCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598589669 1041352408 /nfs/dbraw/zinc/35/24/08/1041352408.db2.gz UMNGSFKCQQDLGC-NVXWUHKLSA-N 1 1 316.445 3.523 20 30 DHEDMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)c1C ZINC000598592831 1041352428 /nfs/dbraw/zinc/35/24/28/1041352428.db2.gz NSLZKNYXFOCLNU-AEFFLSMTSA-N 1 1 300.446 3.741 20 30 DHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598595543 1041354047 /nfs/dbraw/zinc/35/40/47/1041354047.db2.gz PAOQRGVRRFJSRT-ZWKOTPCHSA-N 1 1 302.462 3.549 20 30 DHEDMO Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598593817 1041354088 /nfs/dbraw/zinc/35/40/88/1041354088.db2.gz WXDKZHICUFMYNX-FUHWJXTLSA-N 1 1 300.446 3.741 20 30 DHEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598595535 1041355301 /nfs/dbraw/zinc/35/53/01/1041355301.db2.gz PAOQRGVRRFJSRT-QZTJIDSGSA-N 1 1 302.462 3.549 20 30 DHEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598594755 1041355426 /nfs/dbraw/zinc/35/54/26/1041355426.db2.gz JCJPNHPXXNQIJG-BPUTZDHNSA-N 1 1 304.434 3.662 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000598622173 1041363823 /nfs/dbraw/zinc/36/38/23/1041363823.db2.gz MEXGGRCKAPSRIV-IRXDYDNUSA-N 1 1 300.446 3.555 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000598621604 1041364774 /nfs/dbraw/zinc/36/47/74/1041364774.db2.gz ARGRNEBDNQYERQ-KRWDZBQOSA-N 1 1 324.424 3.605 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000016338889 182040628 /nfs/dbraw/zinc/04/06/28/182040628.db2.gz VIJBPTKYPPSZQU-INIZCTEOSA-N 1 1 310.441 3.915 20 30 DHEDMO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1nc(CCCC)no1 ZINC000285262924 335022717 /nfs/dbraw/zinc/02/27/17/335022717.db2.gz XMZIRVCAUIQYHR-NVXWUHKLSA-N 1 1 311.429 3.697 20 30 DHEDMO CCOC1CC2(C1)CC[N@@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000285554639 335027070 /nfs/dbraw/zinc/02/70/70/335027070.db2.gz RWWFCSAXGQCTOH-UHFFFAOYSA-N 1 1 303.833 3.583 20 30 DHEDMO C#CCOc1ccccc1C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000286063673 335032395 /nfs/dbraw/zinc/03/23/95/335032395.db2.gz KUGWYWMUHVUWSO-IBGZPJMESA-N 1 1 323.440 3.833 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3cc(-c4ccccc4)no3)CC2)c1 ZINC000563826735 335033564 /nfs/dbraw/zinc/03/35/64/335033564.db2.gz FZPIEAYMOOJKBR-UHFFFAOYSA-N 1 1 315.376 3.992 20 30 DHEDMO C#Cc1ccc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)cc1 ZINC000289355822 335058226 /nfs/dbraw/zinc/05/82/26/335058226.db2.gz YBMXSWVGBXPBFV-NYHFZMIOSA-N 1 1 311.450 3.598 20 30 DHEDMO CC(=O)Nc1ccn([C@@H]2CC[N@H+](C[C@H]3CCCC[C@H]3C)C2)n1 ZINC000328628995 257263465 /nfs/dbraw/zinc/26/34/65/257263465.db2.gz OIMFXVRWMRDMOP-FVQBIDKESA-N 1 1 304.438 3.564 20 30 DHEDMO C[C@@H](Nc1ccc(Cl)c(C#N)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273028543 130084007 /nfs/dbraw/zinc/08/40/07/130084007.db2.gz USNCIVXSPSGPMP-CHWSQXEVSA-N 1 1 318.852 3.672 20 30 DHEDMO CCC[N@@H+](Cc1cn(C)nc1C(F)F)Cc1ccc(C#N)cc1 ZINC000274435891 130234565 /nfs/dbraw/zinc/23/45/65/130234565.db2.gz AKQFWZJSXWEANT-UHFFFAOYSA-N 1 1 318.371 3.642 20 30 DHEDMO COc1ccc([C@H](C)[NH2+]Cc2ccccc2C#N)c(C)c1OC ZINC000286971494 131257866 /nfs/dbraw/zinc/25/78/66/131257866.db2.gz OBTVIEVZVQPDBT-AWEZNQCLSA-N 1 1 310.397 3.735 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425556308 335087686 /nfs/dbraw/zinc/08/76/86/335087686.db2.gz SOLONDBPXKUEBU-DNVCBOLYSA-N 1 1 310.441 3.900 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425556310 335087845 /nfs/dbraw/zinc/08/78/45/335087845.db2.gz SOLONDBPXKUEBU-KXBFYZLASA-N 1 1 310.441 3.900 20 30 DHEDMO CC[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000091929301 332115216 /nfs/dbraw/zinc/11/52/16/332115216.db2.gz RBIILLYETYQUEM-INIZCTEOSA-N 1 1 308.429 3.696 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+]2CCCCC[C@@H]2c2ccc(CC)o2)C1=O ZINC000410381669 332121165 /nfs/dbraw/zinc/12/11/65/332121165.db2.gz XVALWSQLFHNFSV-SJORKVTESA-N 1 1 316.445 3.546 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+]2CCCCC[C@H]2c2ccc(CC)o2)C1=O ZINC000410381660 332121173 /nfs/dbraw/zinc/12/11/73/332121173.db2.gz XVALWSQLFHNFSV-DLBZAZTESA-N 1 1 316.445 3.546 20 30 DHEDMO C=CCC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC000427013940 332164758 /nfs/dbraw/zinc/16/47/58/332164758.db2.gz YGCUSELKXAMHHH-OALUTQOASA-N 1 1 314.473 3.727 20 30 DHEDMO C=C(C)C[N@@H+](C)Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000181243797 332187941 /nfs/dbraw/zinc/18/79/41/332187941.db2.gz AXHCFARQSBVVDL-UHFFFAOYSA-N 1 1 318.442 3.835 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000181243797 332187943 /nfs/dbraw/zinc/18/79/43/332187943.db2.gz AXHCFARQSBVVDL-UHFFFAOYSA-N 1 1 318.442 3.835 20 30 DHEDMO C=C(C)C[N@@H+](C)CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000181272419 332188971 /nfs/dbraw/zinc/18/89/71/332188971.db2.gz PBBWOJLBUQLZEI-UHFFFAOYSA-N 1 1 303.381 3.625 20 30 DHEDMO C=CCC(C)(C)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000292867741 335097099 /nfs/dbraw/zinc/09/70/99/335097099.db2.gz RSIGZCVSJHHTGO-UHFFFAOYSA-N 1 1 315.392 3.538 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000292908148 335097492 /nfs/dbraw/zinc/09/74/92/335097492.db2.gz VLDZYWGNKSTGNW-AEFFLSMTSA-N 1 1 314.473 3.758 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000292908157 335097550 /nfs/dbraw/zinc/09/75/50/335097550.db2.gz VLDZYWGNKSTGNW-WMZOPIPTSA-N 1 1 314.473 3.758 20 30 DHEDMO N#Cc1cccc(OCCC[N@@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000559504781 332267500 /nfs/dbraw/zinc/26/75/00/332267500.db2.gz UETCCFJHPXKVLZ-UHFFFAOYSA-N 1 1 310.319 3.522 20 30 DHEDMO CCC(CC)[C@H](CN[C@H](CC)c1ccc(C#N)cc1)[NH+](C)C ZINC000559984747 332299472 /nfs/dbraw/zinc/29/94/72/332299472.db2.gz PMQMRQCKHQLZGV-MOPGFXCFSA-N 1 1 301.478 3.965 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(N2CCCC2)nc1 ZINC000119934570 332326927 /nfs/dbraw/zinc/32/69/27/332326927.db2.gz BOMJPRYECPUSPU-UHFFFAOYSA-N 1 1 313.470 3.932 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(N2CCCC2)nc1 ZINC000119934570 332326928 /nfs/dbraw/zinc/32/69/28/332326928.db2.gz BOMJPRYECPUSPU-UHFFFAOYSA-N 1 1 313.470 3.932 20 30 DHEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(OC)cc2F)CC1 ZINC000152947657 332332188 /nfs/dbraw/zinc/33/21/88/332332188.db2.gz PODSGDYFFPXVLW-CQSZACIVSA-N 1 1 306.425 3.525 20 30 DHEDMO C=CC[NH+](CC=C)CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000248376283 332584662 /nfs/dbraw/zinc/58/46/62/332584662.db2.gz CDSXRHIZTLDBDU-MRXNPFEDSA-N 1 1 308.425 3.691 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H](CC(F)(F)F)c2ccccc2)nc1 ZINC000569936656 332694311 /nfs/dbraw/zinc/69/43/11/332694311.db2.gz BRIZEIXBUTZIDP-OAHLLOKOSA-N 1 1 305.303 3.737 20 30 DHEDMO FC(F)(F)C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177352482 332984487 /nfs/dbraw/zinc/98/44/87/332984487.db2.gz UHKSRUQGODBKHS-UHFFFAOYSA-N 1 1 301.739 3.966 20 30 DHEDMO C[N@@H+](CCCCC#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000171031917 333044485 /nfs/dbraw/zinc/04/44/85/333044485.db2.gz LBMZZMPULSZDQT-LSDHHAIUSA-N 1 1 313.228 3.577 20 30 DHEDMO CC[N@@H+](CCCC(C)(C)C#N)CC(=O)Nc1c(C)cccc1C ZINC000174876025 333092071 /nfs/dbraw/zinc/09/20/71/333092071.db2.gz XDIHNZPARWVOPX-UHFFFAOYSA-N 1 1 315.461 3.894 20 30 DHEDMO CC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000108365793 333175961 /nfs/dbraw/zinc/17/59/61/333175961.db2.gz XCJFBDZEXXLEOF-KGLIPLIRSA-N 1 1 319.474 3.750 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000184095965 333192177 /nfs/dbraw/zinc/19/21/77/333192177.db2.gz PCNCFYUAVYVXGD-GOSISDBHSA-N 1 1 310.445 3.639 20 30 DHEDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)CC(C)(C)CCC#N ZINC000188581675 333249059 /nfs/dbraw/zinc/24/90/59/333249059.db2.gz UEKMQWJMPXCAMK-IBGZPJMESA-N 1 1 302.462 3.980 20 30 DHEDMO Cc1ccnc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000310555554 333254022 /nfs/dbraw/zinc/25/40/22/333254022.db2.gz YEZFGPDLIZGQRJ-SJLPKXTDSA-N 1 1 320.440 3.584 20 30 DHEDMO COc1ccccc1C[N@@H+](CCOc1ccccc1C#N)C1CC1 ZINC000497495579 333256640 /nfs/dbraw/zinc/25/66/40/333256640.db2.gz SIQATHJKNHCRBD-UHFFFAOYSA-N 1 1 322.408 3.610 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)cc1OC ZINC000294919261 335130442 /nfs/dbraw/zinc/13/04/42/335130442.db2.gz FLWUKGRETPEQNW-SFHVURJKSA-N 1 1 319.445 3.507 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)cc1C#N ZINC000319193389 333271447 /nfs/dbraw/zinc/27/14/47/333271447.db2.gz PINZVZMOEDSVLD-AWEZNQCLSA-N 1 1 312.335 3.730 20 30 DHEDMO C[C@@H](O)CC[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000191512475 333280420 /nfs/dbraw/zinc/28/04/20/333280420.db2.gz AQSQLCQFHPFJFA-GOSISDBHSA-N 1 1 322.452 3.589 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)cc2c1OCC2 ZINC000388409125 333299141 /nfs/dbraw/zinc/29/91/41/333299141.db2.gz ALPOBJXCQWPEJV-UHFFFAOYSA-N 1 1 312.800 3.779 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)cc2c1OCC2 ZINC000388409125 333299143 /nfs/dbraw/zinc/29/91/43/333299143.db2.gz ALPOBJXCQWPEJV-UHFFFAOYSA-N 1 1 312.800 3.779 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000531441864 333353495 /nfs/dbraw/zinc/35/34/95/333353495.db2.gz IRLDXMLZJNLZQH-QWHCGFSZSA-N 1 1 324.827 3.719 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000521424413 333380078 /nfs/dbraw/zinc/38/00/78/333380078.db2.gz ANKYULFDMKOVPE-LJQANCHMSA-N 1 1 324.399 3.783 20 30 DHEDMO CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc1OC ZINC000112529377 333465092 /nfs/dbraw/zinc/46/50/92/333465092.db2.gz XSYKGGAKWXOBFT-HUUCEWRRSA-N 1 1 315.417 3.578 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000411164836 333639100 /nfs/dbraw/zinc/63/91/00/333639100.db2.gz NEMNDPSAWSEUOT-HNNXBMFYSA-N 1 1 300.446 3.812 20 30 DHEDMO Cc1cc(C[N@@H+](C)C[C@@H](C)C#N)cc(C)c1OCc1ccccn1 ZINC000271116796 334018802 /nfs/dbraw/zinc/01/88/02/334018802.db2.gz FTLBNBYEINFUIO-HNNXBMFYSA-N 1 1 323.440 3.869 20 30 DHEDMO Cc1cc(C[N@H+](C)C[C@@H](C)C#N)cc(C)c1OCc1ccccn1 ZINC000271116796 334018803 /nfs/dbraw/zinc/01/88/03/334018803.db2.gz FTLBNBYEINFUIO-HNNXBMFYSA-N 1 1 323.440 3.869 20 30 DHEDMO CCCOc1c(C[NH+]2CCC(C)(C#N)CC2)cccc1OCC ZINC000272498846 334035731 /nfs/dbraw/zinc/03/57/31/334035731.db2.gz GKBRIWOEXAVPJJ-UHFFFAOYSA-N 1 1 316.445 4.000 20 30 DHEDMO CN(C)C(=O)Sc1cccc(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000272523746 334036511 /nfs/dbraw/zinc/03/65/11/334036511.db2.gz HQHNYAFXXNWJSB-UHFFFAOYSA-N 1 1 317.458 3.586 20 30 DHEDMO N#CCCC[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000273860318 334052612 /nfs/dbraw/zinc/05/26/12/334052612.db2.gz NRRXQAWRQUTDLQ-UHFFFAOYSA-N 1 1 305.219 3.842 20 30 DHEDMO N#CCc1ccc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)cc1 ZINC000343532664 335175500 /nfs/dbraw/zinc/17/55/00/335175500.db2.gz FCXNZKMFUFYHGQ-UHFFFAOYSA-N 1 1 306.409 3.870 20 30 DHEDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(C)(C)C#N ZINC000276205124 334075153 /nfs/dbraw/zinc/07/51/53/334075153.db2.gz JWOXCQONDCRMOT-DZFIZOCASA-N 1 1 313.489 3.672 20 30 DHEDMO C[N@@H+](CCCSCC#N)[C@@]1(c2ccccc2)CCCCC1=O ZINC000276437461 334078094 /nfs/dbraw/zinc/07/80/94/334078094.db2.gz KRPUIDLLJSBQPK-GOSISDBHSA-N 1 1 316.470 3.604 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3ccc(Br)o3)CC2)c1 ZINC000276608119 334083567 /nfs/dbraw/zinc/08/35/67/334083567.db2.gz HVTUOBRMFGXIDC-UHFFFAOYSA-N 1 1 317.186 3.693 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1OCCc2ccccc21 ZINC000277873513 334091522 /nfs/dbraw/zinc/09/15/22/334091522.db2.gz YRZQZEZSHPYWAT-SFHVURJKSA-N 1 1 300.446 3.952 20 30 DHEDMO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1nc(C(F)(F)F)cs1 ZINC000279605325 334110656 /nfs/dbraw/zinc/11/06/56/334110656.db2.gz WUMRSNBGCGQSCS-AEJSXWLSSA-N 1 1 303.353 3.895 20 30 DHEDMO N#CC1(CCC[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)CCOCC1 ZINC000281921309 334129482 /nfs/dbraw/zinc/12/94/82/334129482.db2.gz HENZKUDHGBVAEQ-QGZVFWFLSA-N 1 1 316.420 3.716 20 30 DHEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(OC)cc1 ZINC000281901031 334129527 /nfs/dbraw/zinc/12/95/27/334129527.db2.gz FQMBAMAOFUTGHW-UHFFFAOYSA-N 1 1 316.445 3.618 20 30 DHEDMO C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000285380789 334147445 /nfs/dbraw/zinc/14/74/45/334147445.db2.gz BKSFUUZJZOOGBT-AEFFLSMTSA-N 1 1 311.473 3.546 20 30 DHEDMO C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000285380789 334147447 /nfs/dbraw/zinc/14/74/47/334147447.db2.gz BKSFUUZJZOOGBT-AEFFLSMTSA-N 1 1 311.473 3.546 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)[C@H](c2ccccc2)CO1 ZINC000343585486 335179627 /nfs/dbraw/zinc/17/96/27/335179627.db2.gz UMQFWIPNVMUSCV-JXFKEZNVSA-N 1 1 306.409 3.715 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)[C@H](c2ccccc2)CO1 ZINC000343585486 335179628 /nfs/dbraw/zinc/17/96/28/335179628.db2.gz UMQFWIPNVMUSCV-JXFKEZNVSA-N 1 1 306.409 3.715 20 30 DHEDMO CN(CCC#N)c1ccc(CNc2cc(C3CC3)cc[nH+]2)cc1 ZINC000289755859 334167624 /nfs/dbraw/zinc/16/76/24/334167624.db2.gz INDCQPLBMREGJQ-UHFFFAOYSA-N 1 1 306.413 3.921 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000290593551 334173563 /nfs/dbraw/zinc/17/35/63/334173563.db2.gz VKSFLXFOGVLIDC-UHFFFAOYSA-N 1 1 320.440 3.596 20 30 DHEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCCO1 ZINC000293208454 334196446 /nfs/dbraw/zinc/19/64/46/334196446.db2.gz ZPZYFRLCXBDXDZ-SFHVURJKSA-N 1 1 300.446 3.735 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCCN(c3ccccc3Cl)CC2)C1 ZINC000296123393 334230084 /nfs/dbraw/zinc/23/00/84/334230084.db2.gz YOQFNJXSLBHVKC-HUUCEWRRSA-N 1 1 303.837 3.544 20 30 DHEDMO CCOc1cc2c(cc1OCC)C[N@H+]([C@@H](C)CCC#N)CC2 ZINC000297751562 334243927 /nfs/dbraw/zinc/24/39/27/334243927.db2.gz DTXQKKQPQCMMJM-AWEZNQCLSA-N 1 1 302.418 3.534 20 30 DHEDMO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000111258792 334314363 /nfs/dbraw/zinc/31/43/63/334314363.db2.gz NVHIAOUWFTWESW-LBPRGKRZSA-N 1 1 322.836 3.574 20 30 DHEDMO C=C[C@@H](CC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000534679538 334324065 /nfs/dbraw/zinc/32/40/65/334324065.db2.gz DFQSYHBIMOUSHL-KSZLIROESA-N 1 1 314.473 3.725 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000534692036 334327175 /nfs/dbraw/zinc/32/71/75/334327175.db2.gz POVKPLXKOJPKLX-SFHVURJKSA-N 1 1 312.800 3.865 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000534692036 334327177 /nfs/dbraw/zinc/32/71/77/334327177.db2.gz POVKPLXKOJPKLX-SFHVURJKSA-N 1 1 312.800 3.865 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)C1CCCCCC1 ZINC000303841470 334334658 /nfs/dbraw/zinc/33/46/58/334334658.db2.gz MZNACPJDWQGKJF-UHFFFAOYSA-N 1 1 302.418 3.600 20 30 DHEDMO COc1cc2c(cc1C[N@H+](C)Cc1cccc(C#N)c1)O[C@H](C)C2 ZINC000535067874 334363436 /nfs/dbraw/zinc/36/34/36/334363436.db2.gz ATTLQTQKHKWCJM-CQSZACIVSA-N 1 1 322.408 3.522 20 30 DHEDMO COc1cc2c(cc1C[N@@H+](C)Cc1cccc(C#N)c1)O[C@H](C)C2 ZINC000535067874 334363439 /nfs/dbraw/zinc/36/34/39/334363439.db2.gz ATTLQTQKHKWCJM-CQSZACIVSA-N 1 1 322.408 3.522 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000340934836 334394706 /nfs/dbraw/zinc/39/47/06/334394706.db2.gz XRHYDOIJNFJSPI-SJORKVTESA-N 1 1 315.461 3.785 20 30 DHEDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000343708754 335189533 /nfs/dbraw/zinc/18/95/33/335189533.db2.gz LIKBFSFESXDMMD-IRXDYDNUSA-N 1 1 315.461 3.690 20 30 DHEDMO C=C(C)CC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343751350 335190543 /nfs/dbraw/zinc/19/05/43/335190543.db2.gz QBOSPRABSADCSR-GFCCVEGCSA-N 1 1 301.356 3.585 20 30 DHEDMO Cc1nc([C@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)cs1 ZINC000366877451 335272267 /nfs/dbraw/zinc/27/22/67/335272267.db2.gz BNTXOOCSTDDLBZ-MRXNPFEDSA-N 1 1 319.474 3.689 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccc(C#N)c(F)c1 ZINC000346182958 335378803 /nfs/dbraw/zinc/37/88/03/335378803.db2.gz MFWXRQHYTWJEBK-CYBMUJFWSA-N 1 1 312.392 3.860 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)Cc1cc(-n2ccnc2)cs1 ZINC000346147139 335381655 /nfs/dbraw/zinc/38/16/55/335381655.db2.gz UXAIWJUAYXAXND-UHFFFAOYSA-N 1 1 302.447 3.696 20 30 DHEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000520604066 335994238 /nfs/dbraw/zinc/99/42/38/335994238.db2.gz KDJPRAIRIAMPKU-UHFFFAOYSA-N 1 1 317.314 3.751 20 30 DHEDMO C=C(C)C[N@@H+](C)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000351105940 336014037 /nfs/dbraw/zinc/01/40/37/336014037.db2.gz WKVCMCRAXCQZEE-UHFFFAOYSA-N 1 1 324.384 3.708 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000351105940 336014038 /nfs/dbraw/zinc/01/40/38/336014038.db2.gz WKVCMCRAXCQZEE-UHFFFAOYSA-N 1 1 324.384 3.708 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000351591733 336047969 /nfs/dbraw/zinc/04/79/69/336047969.db2.gz GTHCQBNJNJPIHD-MRXNPFEDSA-N 1 1 301.430 3.642 20 30 DHEDMO C=CCCCCC[N@H+](C)CCC(=O)N1CCc2ccccc21 ZINC000351885275 336090791 /nfs/dbraw/zinc/09/07/91/336090791.db2.gz DEIFONSDZGFTHU-UHFFFAOYSA-N 1 1 300.446 3.644 20 30 DHEDMO Cc1nc2c(cccc2C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)o1 ZINC000329922321 336095462 /nfs/dbraw/zinc/09/54/62/336095462.db2.gz GFMIDENDMSDKNZ-CHWSQXEVSA-N 1 1 315.417 3.561 20 30 DHEDMO C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000329964764 336100739 /nfs/dbraw/zinc/10/07/39/336100739.db2.gz UBYFFGPWWDANLV-SYAUCNOPSA-N 1 1 321.465 3.547 20 30 DHEDMO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000329964764 336100741 /nfs/dbraw/zinc/10/07/41/336100741.db2.gz UBYFFGPWWDANLV-SYAUCNOPSA-N 1 1 321.465 3.547 20 30 DHEDMO NC(=O)C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC000330166623 336120126 /nfs/dbraw/zinc/12/01/26/336120126.db2.gz YEBBDLXPHGMJKT-AWEZNQCLSA-N 1 1 321.465 3.693 20 30 DHEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Oc2cccnc2)cc1 ZINC000352266420 336208541 /nfs/dbraw/zinc/20/85/41/336208541.db2.gz WHFCUZWDQZCPCJ-JKSUJKDBSA-N 1 1 320.396 3.968 20 30 DHEDMO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000352358324 336214033 /nfs/dbraw/zinc/21/40/33/336214033.db2.gz TWFQDMHXNDNLFM-SFHVURJKSA-N 1 1 312.388 3.547 20 30 DHEDMO N#CC1(F)CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC000352464021 336220554 /nfs/dbraw/zinc/22/05/54/336220554.db2.gz NQDLRUQDCMLLCH-UHFFFAOYSA-N 1 1 301.390 3.638 20 30 DHEDMO C=CCC(C)(C)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000352487255 336221545 /nfs/dbraw/zinc/22/15/45/336221545.db2.gz BSADPMLIFZNLHP-QGZVFWFLSA-N 1 1 318.436 3.509 20 30 DHEDMO C=CCC(C)(C)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000352487255 336221546 /nfs/dbraw/zinc/22/15/46/336221546.db2.gz BSADPMLIFZNLHP-QGZVFWFLSA-N 1 1 318.436 3.509 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc([N+](=O)[O-])cc1F ZINC000352721878 336232393 /nfs/dbraw/zinc/23/23/93/336232393.db2.gz YSROSJYPLDKLBY-UHFFFAOYSA-N 1 1 304.321 3.558 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc([N+](=O)[O-])cc1F ZINC000352721878 336232394 /nfs/dbraw/zinc/23/23/94/336232394.db2.gz YSROSJYPLDKLBY-UHFFFAOYSA-N 1 1 304.321 3.558 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000532573008 336256841 /nfs/dbraw/zinc/25/68/41/336256841.db2.gz KOGUMIMWLLFLGL-SFHVURJKSA-N 1 1 300.446 3.685 20 30 DHEDMO CC(C)[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC1CC1 ZINC000532666557 336266563 /nfs/dbraw/zinc/26/65/63/336266563.db2.gz HQFHSHLQXNHYEB-UHFFFAOYSA-N 1 1 323.440 3.858 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000532764107 336269948 /nfs/dbraw/zinc/26/99/48/336269948.db2.gz UPBVHPPKKNZING-AWEZNQCLSA-N 1 1 308.381 3.522 20 30 DHEDMO C[C@H](NCCC[N@@H+]1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000192918866 336284332 /nfs/dbraw/zinc/28/43/32/336284332.db2.gz BONGQGORFJXYQB-SJORKVTESA-N 1 1 315.461 3.504 20 30 DHEDMO C[C@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000192918866 336284333 /nfs/dbraw/zinc/28/43/33/336284333.db2.gz BONGQGORFJXYQB-SJORKVTESA-N 1 1 315.461 3.504 20 30 DHEDMO Cc1cc(C)c(C#N)c(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000192954356 336285897 /nfs/dbraw/zinc/28/58/97/336285897.db2.gz XEBTVRZSISCLHM-GOSISDBHSA-N 1 1 320.440 3.504 20 30 DHEDMO CCCC[NH+]1CCC(N[C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000193023318 336287111 /nfs/dbraw/zinc/28/71/11/336287111.db2.gz ULTBUXXHSMSGSP-MRXNPFEDSA-N 1 1 315.461 3.504 20 30 DHEDMO N#CCC[C@H](C#N)C[NH+]1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000367138514 336287354 /nfs/dbraw/zinc/28/73/54/336287354.db2.gz PYRRQHULJXJDAG-RDTXWAMCSA-N 1 1 317.383 3.992 20 30 DHEDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc(Cl)cc2C#N)C[C@H](C)O1 ZINC000301204630 336294822 /nfs/dbraw/zinc/29/48/22/336294822.db2.gz RAIQYTUQVMBZGP-BETUJISGSA-N 1 1 321.852 3.511 20 30 DHEDMO N#Cc1c(F)cccc1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000301215484 336295251 /nfs/dbraw/zinc/29/52/51/336295251.db2.gz XLSFYMRPCOVBQU-QGZVFWFLSA-N 1 1 323.415 3.674 20 30 DHEDMO CCCC[N@H+]1CCCC[C@H]1CNc1snc(Cl)c1C#N ZINC000301251911 336296889 /nfs/dbraw/zinc/29/68/89/336296889.db2.gz SBDJMCBFYAJPFP-NSHDSACASA-N 1 1 312.870 3.735 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2cccc(C#N)n2)cc1 ZINC000301267450 336297704 /nfs/dbraw/zinc/29/77/04/336297704.db2.gz IGWDWBOSKYLYSB-INIZCTEOSA-N 1 1 320.440 3.940 20 30 DHEDMO C[C@@H](CNc1ccc(F)cc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000301343128 336301659 /nfs/dbraw/zinc/30/16/59/336301659.db2.gz GGMBZJSSADXEBC-AWEZNQCLSA-N 1 1 309.388 3.556 20 30 DHEDMO C[N@H+]1CCC[C@@H](CNc2ccc(C#N)nc2)[C@H]1c1cccs1 ZINC000301584339 336316566 /nfs/dbraw/zinc/31/65/66/336316566.db2.gz VPXPSYLXLODORG-GUYCJALGSA-N 1 1 312.442 3.510 20 30 DHEDMO CCC[N@H+]1CC[C@H](CNc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000301995296 336342045 /nfs/dbraw/zinc/34/20/45/336342045.db2.gz SGRFEMVLRCTTAN-GFCCVEGCSA-N 1 1 311.351 3.721 20 30 DHEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(Cl)c(C#N)n1 ZINC000302050188 336345582 /nfs/dbraw/zinc/34/55/82/336345582.db2.gz ZZJBWVGUYWYPJZ-CYBMUJFWSA-N 1 1 314.820 3.539 20 30 DHEDMO CC(=O)c1ccc(C#N)c(N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000302159143 336351526 /nfs/dbraw/zinc/35/15/26/336351526.db2.gz XPLSORXXTQXNDO-OAHLLOKOSA-N 1 1 321.424 3.693 20 30 DHEDMO Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1C#N ZINC000302610370 336362564 /nfs/dbraw/zinc/36/25/64/336362564.db2.gz DUIKRAHXMOZCEN-WMZOPIPTSA-N 1 1 320.440 3.727 20 30 DHEDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1ccc(C(F)(F)F)cc1C#N)C2 ZINC000302697118 336365332 /nfs/dbraw/zinc/36/53/32/336365332.db2.gz WMSHQTYAHYHUFV-CYBMUJFWSA-N 1 1 320.318 3.509 20 30 DHEDMO C=CC[NH+](CC=C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000514113250 336365422 /nfs/dbraw/zinc/36/54/22/336365422.db2.gz QIWODXKPXPVHPX-MRXNPFEDSA-N 1 1 306.475 3.626 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)CC1CCCC1 ZINC000352922342 336377393 /nfs/dbraw/zinc/37/73/93/336377393.db2.gz QJCIWLAQDHBACA-IBGZPJMESA-N 1 1 319.493 3.783 20 30 DHEDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c2nccn21 ZINC000514652623 336393108 /nfs/dbraw/zinc/39/31/08/336393108.db2.gz HHMYGCSLVFNWCD-YGRLFVJLSA-N 1 1 320.318 3.569 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)o1 ZINC000418093352 336399300 /nfs/dbraw/zinc/39/93/00/336399300.db2.gz JCPRGGTUMRLIAJ-CQSZACIVSA-N 1 1 302.324 3.637 20 30 DHEDMO C#CCOc1ccc(C[NH2+]Cc2csc(C(C)(C)C)n2)cc1 ZINC000113332261 336400831 /nfs/dbraw/zinc/40/08/31/336400831.db2.gz DEQVFJFHSDKLDR-UHFFFAOYSA-N 1 1 314.454 3.742 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000358289560 336621701 /nfs/dbraw/zinc/62/17/01/336621701.db2.gz PPUDNZBFMSJVLJ-LJQANCHMSA-N 1 1 319.408 3.919 20 30 DHEDMO CCO[C@@H]1C[C@H]([NH2+]CC2(C#N)CCC2)[C@H]1Sc1ccccc1 ZINC000418143758 336896615 /nfs/dbraw/zinc/89/66/15/336896615.db2.gz QWZQKUNCSNDDPV-GVDBMIGSSA-N 1 1 316.470 3.608 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2/C=C/c2cccs2)cc1 ZINC000375150927 337004545 /nfs/dbraw/zinc/00/45/45/337004545.db2.gz HSRDPWXRIUPQGL-OYEZICKXSA-N 1 1 324.449 3.831 20 30 DHEDMO C[C@H]1[N@@H+](CC#Cc2cccc(Cl)c2)CCC12CCOCC2 ZINC000375240919 337006450 /nfs/dbraw/zinc/00/64/50/337006450.db2.gz JNULGQFWRIPHDX-OAHLLOKOSA-N 1 1 303.833 3.583 20 30 DHEDMO C[C@H]1[N@@H+](CC#Cc2ccc(Cl)cc2)CCC12CCOCC2 ZINC000375242996 337006502 /nfs/dbraw/zinc/00/65/02/337006502.db2.gz SNYJDLVBKCJQMH-OAHLLOKOSA-N 1 1 303.833 3.583 20 30 DHEDMO CCS[C@H]1CCCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000375615562 337014763 /nfs/dbraw/zinc/01/47/63/337014763.db2.gz ZUZUARMDIBEVDI-INIZCTEOSA-N 1 1 310.507 3.695 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC23CCOCC3)cc1Cl ZINC000375735066 337018284 /nfs/dbraw/zinc/01/82/84/337018284.db2.gz XGWWUNATVZJUJY-UHFFFAOYSA-N 1 1 307.821 3.660 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC2(CCC2)C1 ZINC000123098995 337035453 /nfs/dbraw/zinc/03/54/53/337035453.db2.gz OWISVNBTQLTCKW-OAHLLOKOSA-N 1 1 318.486 3.527 20 30 DHEDMO C=CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000123243924 337041304 /nfs/dbraw/zinc/04/13/04/337041304.db2.gz OVJNDMVORLISSH-KBPBESRZSA-N 1 1 312.417 3.506 20 30 DHEDMO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000377407962 337052205 /nfs/dbraw/zinc/05/22/05/337052205.db2.gz OCBRVJCKRHHZJM-BTDLBPIBSA-N 1 1 316.763 3.963 20 30 DHEDMO CCc1noc(C)c1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000378083269 337066189 /nfs/dbraw/zinc/06/61/89/337066189.db2.gz ASYOUSQOILYZOS-VQIMIIECSA-N 1 1 309.413 3.817 20 30 DHEDMO CCc1noc(C)c1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000378083269 337066190 /nfs/dbraw/zinc/06/61/90/337066190.db2.gz ASYOUSQOILYZOS-VQIMIIECSA-N 1 1 309.413 3.817 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2C)c1 ZINC000378370068 337071049 /nfs/dbraw/zinc/07/10/49/337071049.db2.gz KQGSMANWXHOOKJ-LJQANCHMSA-N 1 1 311.429 3.630 20 30 DHEDMO Cn1cc(C[N@H+]2C[C@@H]3CCCCC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000378501880 337074498 /nfs/dbraw/zinc/07/44/98/337074498.db2.gz ZVIWCGZAAKKGSW-HKUYNNGSSA-N 1 1 320.440 3.723 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000360037903 337084248 /nfs/dbraw/zinc/08/42/48/337084248.db2.gz SLDWHHVJMYGRIT-ZBFHGGJFSA-N 1 1 300.402 3.682 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173476335 337135439 /nfs/dbraw/zinc/13/54/39/337135439.db2.gz KRBOZCQHQKAYAK-AWEZNQCLSA-N 1 1 318.380 3.801 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173476335 337135440 /nfs/dbraw/zinc/13/54/40/337135440.db2.gz KRBOZCQHQKAYAK-AWEZNQCLSA-N 1 1 318.380 3.801 20 30 DHEDMO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000173454783 337135454 /nfs/dbraw/zinc/13/54/54/337135454.db2.gz UHWBMEPEVHOLQX-UHFFFAOYSA-N 1 1 318.380 3.630 20 30 DHEDMO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)Cc1ccccc1 ZINC000173454783 337135455 /nfs/dbraw/zinc/13/54/55/337135455.db2.gz UHWBMEPEVHOLQX-UHFFFAOYSA-N 1 1 318.380 3.630 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)CC ZINC000176984170 337153559 /nfs/dbraw/zinc/15/35/59/337153559.db2.gz CSILGAYIWIQFMH-GFCCVEGCSA-N 1 1 314.351 3.930 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+](C(C)C)C2CCCC2)c(C#N)c1C ZINC000177275866 337156626 /nfs/dbraw/zinc/15/66/26/337156626.db2.gz ACMFUYZWOKUEDH-UHFFFAOYSA-N 1 1 319.474 3.828 20 30 DHEDMO C=CCCCC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000177782886 337158600 /nfs/dbraw/zinc/15/86/00/337158600.db2.gz CMDKGHAVMALJPX-UHFFFAOYSA-N 1 1 304.459 3.530 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000321013641 337170421 /nfs/dbraw/zinc/17/04/21/337170421.db2.gz ABBAFAWBXRKMKT-AWEZNQCLSA-N 1 1 312.388 3.769 20 30 DHEDMO Cn1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000180161960 337175129 /nfs/dbraw/zinc/17/51/29/337175129.db2.gz JXQPCNJZXVHBLG-HDICACEKSA-N 1 1 320.440 3.581 20 30 DHEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000181302788 337181018 /nfs/dbraw/zinc/18/10/18/337181018.db2.gz UYGWBPCTMUMAGU-CQSZACIVSA-N 1 1 317.458 3.527 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000181302788 337181019 /nfs/dbraw/zinc/18/10/19/337181019.db2.gz UYGWBPCTMUMAGU-CQSZACIVSA-N 1 1 317.458 3.527 20 30 DHEDMO C=C1CC[NH+](CC(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000583100348 337240698 /nfs/dbraw/zinc/24/06/98/337240698.db2.gz MQZQTCRQAHFEPA-MRXNPFEDSA-N 1 1 308.425 3.669 20 30 DHEDMO N#CCC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000397220832 337257411 /nfs/dbraw/zinc/25/74/11/337257411.db2.gz JRAMXHMXNWPTMR-UHFFFAOYSA-N 1 1 311.198 3.714 20 30 DHEDMO C[N@H+]1CC[C@H](CSc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000187697482 337269239 /nfs/dbraw/zinc/26/92/39/337269239.db2.gz XZHACBJUQULQOG-JTQLQIEISA-N 1 1 300.349 3.621 20 30 DHEDMO C[N@@H+](CCC(=O)N[C@](C)(C#N)C1CCCCC1)C1CCCCC1 ZINC000583237763 337282869 /nfs/dbraw/zinc/28/28/69/337282869.db2.gz FYQWVHVLOFYYFF-LJQANCHMSA-N 1 1 319.493 3.620 20 30 DHEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)cc1F ZINC000192042441 337302257 /nfs/dbraw/zinc/30/22/57/337302257.db2.gz OOEOLQNONALWOG-KRWDZBQOSA-N 1 1 302.393 3.621 20 30 DHEDMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000583310376 337313534 /nfs/dbraw/zinc/31/35/34/337313534.db2.gz PJPPRWMEZDEUAO-TZMCWYRMSA-N 1 1 312.335 3.708 20 30 DHEDMO C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ccc(C#N)cc2)CC1 ZINC000116367469 337392655 /nfs/dbraw/zinc/39/26/55/337392655.db2.gz VWUQGBABDIYOCO-KRWDZBQOSA-N 1 1 319.452 3.873 20 30 DHEDMO CCc1noc(C)c1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000119524040 337394809 /nfs/dbraw/zinc/39/48/09/337394809.db2.gz ASYOUSQOILYZOS-QFBILLFUSA-N 1 1 309.413 3.817 20 30 DHEDMO CCc1noc(C)c1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000119524040 337394810 /nfs/dbraw/zinc/39/48/10/337394810.db2.gz ASYOUSQOILYZOS-QFBILLFUSA-N 1 1 309.413 3.817 20 30 DHEDMO C[N@@H+](CCC(C)(C)C#N)C1CCN(c2ccc(F)cc2)CC1 ZINC000119909893 337395222 /nfs/dbraw/zinc/39/52/22/337395222.db2.gz FOYCIPRHZCSHOS-UHFFFAOYSA-N 1 1 303.425 3.666 20 30 DHEDMO C=CCn1cc(C[NH2+][C@H](CC(C)C)c2ccc(Cl)cc2)nn1 ZINC000424300602 337817434 /nfs/dbraw/zinc/81/74/34/337817434.db2.gz XYXVHNTUSJQDED-QGZVFWFLSA-N 1 1 318.852 3.995 20 30 DHEDMO CC(C)(C#N)CC[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000537367783 337932877 /nfs/dbraw/zinc/93/28/77/337932877.db2.gz JNGGHPARPXJEFD-UHFFFAOYSA-N 1 1 309.816 3.541 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000084133889 338000199 /nfs/dbraw/zinc/00/01/99/338000199.db2.gz DEICKNMOLGWOKW-HXUWFJFHSA-N 1 1 324.399 3.531 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000426469143 338032943 /nfs/dbraw/zinc/03/29/43/338032943.db2.gz PHFILOIDKNSKPI-UHFFFAOYSA-N 1 1 319.474 3.853 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@H]2CC2(C)C)cc1OCCCC#N ZINC000426578335 338035001 /nfs/dbraw/zinc/03/50/01/338035001.db2.gz HNQMRFSBVSPOMK-KRWDZBQOSA-N 1 1 302.418 3.608 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cccc(F)c2C#N)C1 ZINC000428394407 338050088 /nfs/dbraw/zinc/05/00/88/338050088.db2.gz UUZFFMAMPNGIHC-HLLBOEOZSA-N 1 1 315.436 3.535 20 30 DHEDMO N#CCCn1cc(C[N@H+]2CC[C@H]3CCC[C@@H]32)c(-c2ccccc2)n1 ZINC000428462724 338053304 /nfs/dbraw/zinc/05/33/04/338053304.db2.gz LYYVAYLTXAWFKX-APWZRJJASA-N 1 1 320.440 3.838 20 30 DHEDMO CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428785187 338061076 /nfs/dbraw/zinc/06/10/76/338061076.db2.gz QFNZKODPQORDJW-MSOLQXFVSA-N 1 1 307.397 3.558 20 30 DHEDMO CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)c1ccccc1 ZINC000428851561 338062371 /nfs/dbraw/zinc/06/23/71/338062371.db2.gz RXUDLVLIWRZOTC-QFBILLFUSA-N 1 1 315.461 3.512 20 30 DHEDMO C[N@@H+](Cc1cccc(F)c1C#N)C1CCN(c2ccccc2)CC1 ZINC000428971429 338067295 /nfs/dbraw/zinc/06/72/95/338067295.db2.gz VUWVQLCWXZBOPD-UHFFFAOYSA-N 1 1 323.415 3.798 20 30 DHEDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2Br)C1 ZINC000429555703 338083850 /nfs/dbraw/zinc/08/38/50/338083850.db2.gz BLVKERYGMYTYNM-RISCZKNCSA-N 1 1 307.235 3.941 20 30 DHEDMO Cc1ccc2c(C[N@@H+](C)Cc3cccc(C#N)c3)ccc(O)c2n1 ZINC000429705625 338087913 /nfs/dbraw/zinc/08/79/13/338087913.db2.gz DBWPFEJDTMXWJA-UHFFFAOYSA-N 1 1 317.392 3.753 20 30 DHEDMO C=CCCCCC[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430293867 338104655 /nfs/dbraw/zinc/10/46/55/338104655.db2.gz FQALPYJOPNHVMV-QGZVFWFLSA-N 1 1 300.446 3.718 20 30 DHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000433204704 338185774 /nfs/dbraw/zinc/18/57/74/338185774.db2.gz CJSXCRCRDWKYRJ-IBGZPJMESA-N 1 1 319.408 3.724 20 30 DHEDMO C[N@H+](CCOc1ccccc1C(F)(F)F)CC(C)(C)C#N ZINC000433303091 338190537 /nfs/dbraw/zinc/19/05/37/338190537.db2.gz KGSKZXSSAAUPTJ-UHFFFAOYSA-N 1 1 300.324 3.566 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C(F)(F)F)CC(C)(C)C#N ZINC000433303091 338190538 /nfs/dbraw/zinc/19/05/38/338190538.db2.gz KGSKZXSSAAUPTJ-UHFFFAOYSA-N 1 1 300.324 3.566 20 30 DHEDMO C[N@@H+](CCc1cccc(OC(F)(F)F)c1)CC(C)(C)C#N ZINC000433316228 338191976 /nfs/dbraw/zinc/19/19/76/338191976.db2.gz HGVCEJDCSHWJJC-UHFFFAOYSA-N 1 1 300.324 3.609 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CC1(O)CCC(C)CC1 ZINC000434762280 338225085 /nfs/dbraw/zinc/22/50/85/338225085.db2.gz GZRLVNSKUOWXKB-UHFFFAOYSA-N 1 1 300.446 3.710 20 30 DHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000435066894 338231474 /nfs/dbraw/zinc/23/14/74/338231474.db2.gz WYFRSEGDXUJSSG-AEFFLSMTSA-N 1 1 314.429 3.530 20 30 DHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000435066894 338231475 /nfs/dbraw/zinc/23/14/75/338231475.db2.gz WYFRSEGDXUJSSG-AEFFLSMTSA-N 1 1 314.429 3.530 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435134229 338232954 /nfs/dbraw/zinc/23/29/54/338232954.db2.gz GNASSZXQBKFZLQ-UHFFFAOYSA-N 1 1 307.397 3.900 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCc3ccccc3C2)cc(OC)c1O ZINC000435236609 338234878 /nfs/dbraw/zinc/23/48/78/338234878.db2.gz JZZQJKBQKKEERH-UHFFFAOYSA-N 1 1 309.409 3.688 20 30 DHEDMO C=CCC[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000435268152 338235795 /nfs/dbraw/zinc/23/57/95/338235795.db2.gz DEAOCSXFKWZFOF-HXUWFJFHSA-N 1 1 322.452 3.942 20 30 DHEDMO C=CCC[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000435268152 338235796 /nfs/dbraw/zinc/23/57/96/338235796.db2.gz DEAOCSXFKWZFOF-HXUWFJFHSA-N 1 1 322.452 3.942 20 30 DHEDMO CC(C)(C)C[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000435447010 338240282 /nfs/dbraw/zinc/24/02/82/338240282.db2.gz DVPPKADAHMXWQT-QGZVFWFLSA-N 1 1 313.445 3.787 20 30 DHEDMO C=CCC1(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CCCCC1 ZINC000448578769 338287862 /nfs/dbraw/zinc/28/78/62/338287862.db2.gz HCPKHQAKGFNBAB-OAHLLOKOSA-N 1 1 304.434 3.525 20 30 DHEDMO CC(C)(C)C[N@H+](CCC#N)Cc1c[nH]nc1-c1ccsc1 ZINC000438100769 338331701 /nfs/dbraw/zinc/33/17/01/338331701.db2.gz DKHLPBAKUQVKSS-UHFFFAOYSA-N 1 1 302.447 3.900 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccsc1 ZINC000438100769 338331702 /nfs/dbraw/zinc/33/17/02/338331702.db2.gz DKHLPBAKUQVKSS-UHFFFAOYSA-N 1 1 302.447 3.900 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000438181250 338335273 /nfs/dbraw/zinc/33/52/73/338335273.db2.gz UNYVFXYCDXQDHG-MRXNPFEDSA-N 1 1 311.400 3.749 20 30 DHEDMO CC(C)[C@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000438493955 338346113 /nfs/dbraw/zinc/34/61/13/338346113.db2.gz WNIDRQBYVWHITH-INIZCTEOSA-N 1 1 323.440 3.716 20 30 DHEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2Cl)C12CCC2 ZINC000439430207 338369088 /nfs/dbraw/zinc/36/90/88/338369088.db2.gz KWPZGAAEPOSTLO-IRXDYDNUSA-N 1 1 318.848 3.991 20 30 DHEDMO C=CCOc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000440122931 338383691 /nfs/dbraw/zinc/38/36/91/338383691.db2.gz ZEHMPYMPRCUHJL-SFHVURJKSA-N 1 1 314.429 3.597 20 30 DHEDMO C=CCC1(C(=O)NCCCCn2cc[nH+]c2C)CCCCC1 ZINC000449935531 338659604 /nfs/dbraw/zinc/65/96/04/338659604.db2.gz RLRKKKXKKAXWOL-UHFFFAOYSA-N 1 1 303.450 3.615 20 30 DHEDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459317661 339021251 /nfs/dbraw/zinc/02/12/51/339021251.db2.gz BOKVCNLPUXBNHZ-INIZCTEOSA-N 1 1 321.380 3.764 20 30 DHEDMO CC(C)(C#N)C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000164678929 339028578 /nfs/dbraw/zinc/02/85/78/339028578.db2.gz YUWWGOKNUJRHPY-UHFFFAOYSA-N 1 1 301.615 3.742 20 30 DHEDMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000459471302 339031218 /nfs/dbraw/zinc/03/12/18/339031218.db2.gz SWCFOTBKFSQRTA-PKOBYXMFSA-N 1 1 319.408 3.721 20 30 DHEDMO N#Cc1ccc(C[NH+]2CC(Cc3ccccc3Cl)C2)s1 ZINC000459565284 339036158 /nfs/dbraw/zinc/03/61/58/339036158.db2.gz SCVVYGIZSNZSQU-UHFFFAOYSA-N 1 1 302.830 3.948 20 30 DHEDMO C[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1nc2c(s1)CCC2 ZINC000459626805 339038969 /nfs/dbraw/zinc/03/89/69/339038969.db2.gz ANAIUXXMXPQWQF-GFCCVEGCSA-N 1 1 316.857 3.988 20 30 DHEDMO C=CCOc1ccc(C[NH+]2CC(C)(CCOC)C2)cc1Cl ZINC000459630633 339039207 /nfs/dbraw/zinc/03/92/07/339039207.db2.gz IUJYSOIWGGEFQF-UHFFFAOYSA-N 1 1 309.837 3.763 20 30 DHEDMO C[C@H](Cc1ccccc1)N1CCC([NH2+]CC(C)(C)CC#N)CC1 ZINC000459660046 339041322 /nfs/dbraw/zinc/04/13/22/339041322.db2.gz AQLRVBJCADWKOB-QGZVFWFLSA-N 1 1 313.489 3.611 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc1 ZINC000459792204 339048796 /nfs/dbraw/zinc/04/87/96/339048796.db2.gz JETXILNSCFJDPD-ROUUACIJSA-N 1 1 306.434 3.915 20 30 DHEDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000461361338 339062266 /nfs/dbraw/zinc/06/22/66/339062266.db2.gz LTVUHLHUYLBLJP-IBGZPJMESA-N 1 1 305.425 3.659 20 30 DHEDMO Cc1nc(NCC[N@H+](C)C2CCCCC2)c(Cl)cc1C#N ZINC000461779878 339066965 /nfs/dbraw/zinc/06/69/65/339066965.db2.gz RSJQJDLUBBUFKY-UHFFFAOYSA-N 1 1 306.841 3.592 20 30 DHEDMO CC#CCC[N@H+](CCc1ccc(OC)c(OC)c1)CC(C)C ZINC000462314845 339075664 /nfs/dbraw/zinc/07/56/64/339075664.db2.gz IAZDOFRIDOULFS-UHFFFAOYSA-N 1 1 303.446 3.618 20 30 DHEDMO CC#CCC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C ZINC000462346336 339076290 /nfs/dbraw/zinc/07/62/90/339076290.db2.gz DGDDMAWDPCZURV-CZUORRHYSA-N 1 1 322.246 3.624 20 30 DHEDMO CC#CCC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C ZINC000462346336 339076291 /nfs/dbraw/zinc/07/62/91/339076291.db2.gz DGDDMAWDPCZURV-CZUORRHYSA-N 1 1 322.246 3.624 20 30 DHEDMO C=CC[N@@H+](Cc1nc2ccc(Br)cc2o1)C1CC1 ZINC000463148295 339107291 /nfs/dbraw/zinc/10/72/91/339107291.db2.gz JHUHXUSGCZIEEX-UHFFFAOYSA-N 1 1 307.191 3.741 20 30 DHEDMO C=CC[N@H+](Cc1nc2ccc(Br)cc2o1)C1CC1 ZINC000463148295 339107292 /nfs/dbraw/zinc/10/72/92/339107292.db2.gz JHUHXUSGCZIEEX-UHFFFAOYSA-N 1 1 307.191 3.741 20 30 DHEDMO N#C[C@H]1CCC[C@H]([NH2+]CC2(N3CCCCC3)CCCCC2)C1 ZINC000463283658 339113246 /nfs/dbraw/zinc/11/32/46/339113246.db2.gz OAGVHEWRFGIPDU-ROUUACIJSA-N 1 1 303.494 3.847 20 30 DHEDMO CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCOC1 ZINC000463447783 339118201 /nfs/dbraw/zinc/11/82/01/339118201.db2.gz ZSNIHMVMZNXOLI-IBGZPJMESA-N 1 1 306.409 3.836 20 30 DHEDMO CCC1(CC)C[N@@H+](Cc2cc(C#N)ccc2OC)CCS1 ZINC000464591111 339146536 /nfs/dbraw/zinc/14/65/36/339146536.db2.gz WJUIBYMPSMZCJJ-UHFFFAOYSA-N 1 1 304.459 3.674 20 30 DHEDMO CCC[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000464839916 339156673 /nfs/dbraw/zinc/15/66/73/339156673.db2.gz RVHUDFODPKOCGT-AEFFLSMTSA-N 1 1 319.493 3.620 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000466682217 339212856 /nfs/dbraw/zinc/21/28/56/339212856.db2.gz XHERSRQMVRNMRS-ZIAGYGMSSA-N 1 1 304.459 3.776 20 30 DHEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000467294574 339230087 /nfs/dbraw/zinc/23/00/87/339230087.db2.gz AISMUUKFNNPINU-HOTGVXAUSA-N 1 1 310.441 3.913 20 30 DHEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000467295111 339230150 /nfs/dbraw/zinc/23/01/50/339230150.db2.gz ITLCVOLCCPKYFY-JTQLQIEISA-N 1 1 301.217 3.828 20 30 DHEDMO N#Cc1cccc(CC[NH2+][C@H](Cc2ccccc2)C(F)F)c1 ZINC000467431425 339237996 /nfs/dbraw/zinc/23/79/96/339237996.db2.gz ZDGKUPSNKJJEHR-QGZVFWFLSA-N 1 1 300.352 3.567 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)c1 ZINC000467552482 339242173 /nfs/dbraw/zinc/24/21/73/339242173.db2.gz WWZAJSLUZIRWGK-LJQANCHMSA-N 1 1 311.429 3.712 20 30 DHEDMO COCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)c1ccccc1 ZINC000468268899 339258257 /nfs/dbraw/zinc/25/82/57/339258257.db2.gz CXSNOMFRLYSDMT-HNNXBMFYSA-N 1 1 312.388 3.907 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CCCC[C@@H](CCOC)C1 ZINC000468698965 339269166 /nfs/dbraw/zinc/26/91/66/339269166.db2.gz QVTRQSWNKCWMEH-KRWDZBQOSA-N 1 1 303.446 3.890 20 30 DHEDMO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCCN(c2ccccc2)C1 ZINC000469292114 339285364 /nfs/dbraw/zinc/28/53/64/339285364.db2.gz FFLWRTDXZKJKLY-FQEVSTJZSA-N 1 1 323.415 3.798 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000470001413 339307880 /nfs/dbraw/zinc/30/78/80/339307880.db2.gz XAGRWSZZOALUCZ-CQSZACIVSA-N 1 1 312.335 3.730 20 30 DHEDMO C=CCOCCC[N@H+]1CCc2c(Br)cccc2[C@H]1C ZINC000470762156 339326946 /nfs/dbraw/zinc/32/69/46/339326946.db2.gz PMVWTRBRDZMFKN-CYBMUJFWSA-N 1 1 324.262 3.961 20 30 DHEDMO C=C(C)C[N@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1 ZINC000470921835 339331322 /nfs/dbraw/zinc/33/13/22/339331322.db2.gz DGSBOTDUCJMQTR-UHFFFAOYSA-N 1 1 312.388 3.843 20 30 DHEDMO C=C(C)C[N@@H+](CC(=O)Nc1ccccc1F)Cc1ccccc1 ZINC000470921835 339331323 /nfs/dbraw/zinc/33/13/23/339331323.db2.gz DGSBOTDUCJMQTR-UHFFFAOYSA-N 1 1 312.388 3.843 20 30 DHEDMO C=C(C)CN(Cc1ccccc1)C(=O)NCC[N@H+](CC)CCC ZINC000471977476 339358640 /nfs/dbraw/zinc/35/86/40/339358640.db2.gz HKIYPRKLCJKGAJ-UHFFFAOYSA-N 1 1 317.477 3.506 20 30 DHEDMO C=CCCC[N@@H+](C)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000472237478 339367172 /nfs/dbraw/zinc/36/71/72/339367172.db2.gz DJEDJEDOKYTKSO-UHFFFAOYSA-N 1 1 323.502 3.656 20 30 DHEDMO C=CCCC[N@H+](C)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000472237478 339367173 /nfs/dbraw/zinc/36/71/73/339367173.db2.gz DJEDJEDOKYTKSO-UHFFFAOYSA-N 1 1 323.502 3.656 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](C)c1ccccc1Br ZINC000472752194 339376916 /nfs/dbraw/zinc/37/69/16/339376916.db2.gz QOHGSCDNAAICBW-STQMWFEESA-N 1 1 312.251 3.769 20 30 DHEDMO C=CCCCN(C)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000473011965 339380188 /nfs/dbraw/zinc/38/01/88/339380188.db2.gz WPMSUUNWCNRYJG-KRWDZBQOSA-N 1 1 317.477 3.505 20 30 DHEDMO C=C[C@@H](C)NC(=O)NCc1cccc(C[N@H+](CC)CCCC)c1 ZINC000473738695 339391063 /nfs/dbraw/zinc/39/10/63/339391063.db2.gz FVEPMWLYDSTNKC-MRXNPFEDSA-N 1 1 317.477 3.682 20 30 DHEDMO C=CCCCC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000479503859 339538479 /nfs/dbraw/zinc/53/84/79/339538479.db2.gz SJJBQGBFSYSZQN-UHFFFAOYSA-N 1 1 307.463 3.814 20 30 DHEDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCCCC(C)(C)C#N ZINC000496598747 340008549 /nfs/dbraw/zinc/00/85/49/340008549.db2.gz FJGXJZZQGIPLRL-AWEZNQCLSA-N 1 1 311.470 3.551 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000499048494 340028432 /nfs/dbraw/zinc/02/84/32/340028432.db2.gz QTICVUFIPHKTHI-HNNXBMFYSA-N 1 1 320.502 3.821 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000499048494 340028433 /nfs/dbraw/zinc/02/84/33/340028433.db2.gz QTICVUFIPHKTHI-HNNXBMFYSA-N 1 1 320.502 3.821 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2ccc(C(C)(C)C)cc2)C1=O ZINC000499986099 340048121 /nfs/dbraw/zinc/04/81/21/340048121.db2.gz AYQUBWQHEGLMQA-YJBOKZPZSA-N 1 1 314.473 3.764 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(-c3ccccc3)c2)C1=O ZINC000500447951 340059024 /nfs/dbraw/zinc/05/90/24/340059024.db2.gz OKKAXOUFYZWDAB-HXUWFJFHSA-N 1 1 320.436 3.572 20 30 DHEDMO C=CCOc1ccccc1CNCC[N@@H+]1CCCC[C@H]1CC ZINC000500885524 340069178 /nfs/dbraw/zinc/06/91/78/340069178.db2.gz DLUPMJAYEGMVOQ-GOSISDBHSA-N 1 1 302.462 3.606 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]CCN1CCCC[C@H]1CC ZINC000500885524 340069179 /nfs/dbraw/zinc/06/91/79/340069179.db2.gz DLUPMJAYEGMVOQ-GOSISDBHSA-N 1 1 302.462 3.606 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000505046320 340159927 /nfs/dbraw/zinc/15/99/27/340159927.db2.gz RTXRIVHLXXSIOP-IRXDYDNUSA-N 1 1 313.445 3.554 20 30 DHEDMO C=CCc1cc(C[N@H+](C)Cc2ccccc2F)cc(OC)c1O ZINC000505608008 340172783 /nfs/dbraw/zinc/17/27/83/340172783.db2.gz GUYBWKSAEAHQJM-UHFFFAOYSA-N 1 1 315.388 3.900 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)Cc2ccccc2F)cc(OC)c1O ZINC000505608008 340172784 /nfs/dbraw/zinc/17/27/84/340172784.db2.gz GUYBWKSAEAHQJM-UHFFFAOYSA-N 1 1 315.388 3.900 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505814387 340178711 /nfs/dbraw/zinc/17/87/11/340178711.db2.gz WTROICLHQREEFV-OAHLLOKOSA-N 1 1 310.372 3.598 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505814387 340178712 /nfs/dbraw/zinc/17/87/12/340178712.db2.gz WTROICLHQREEFV-OAHLLOKOSA-N 1 1 310.372 3.598 20 30 DHEDMO C=CCOc1ccc(C[N@H+](Cc2ccn(C)n2)C(C)(C)C)cc1 ZINC000506045215 340184245 /nfs/dbraw/zinc/18/42/45/340184245.db2.gz AFNFJYQCLCCGKE-UHFFFAOYSA-N 1 1 313.445 3.786 20 30 DHEDMO C=CCC[N@@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000516600188 340191881 /nfs/dbraw/zinc/19/18/81/340191881.db2.gz UETPKEFBCAYCFV-CQSZACIVSA-N 1 1 321.770 3.684 20 30 DHEDMO N#Cc1c(F)cccc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000506829839 340202407 /nfs/dbraw/zinc/20/24/07/340202407.db2.gz ADXNLYICEQUBRM-UHFFFAOYSA-N 1 1 315.436 3.790 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2c1OC(C)(C)C2 ZINC000507203655 340212994 /nfs/dbraw/zinc/21/29/94/340212994.db2.gz NZGTVYREVGYCMD-UHFFFAOYSA-N 1 1 306.409 3.904 20 30 DHEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507279183 340216456 /nfs/dbraw/zinc/21/64/56/340216456.db2.gz NQRPMKOXZGPDDA-HNNXBMFYSA-N 1 1 309.388 3.581 20 30 DHEDMO Cc1ccc(F)c(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000509122415 340261805 /nfs/dbraw/zinc/26/18/05/340261805.db2.gz JDJCEGHIDHTPEO-UHFFFAOYSA-N 1 1 323.415 3.718 20 30 DHEDMO C=C(C)CC[NH+]1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000509386425 340267952 /nfs/dbraw/zinc/26/79/52/340267952.db2.gz KMUIZAKWPQJNIX-UHFFFAOYSA-N 1 1 320.483 3.687 20 30 DHEDMO C=CC[N@@H+](Cc1sccc1OC)Cc1ccc(OC)cc1 ZINC000510635005 340304581 /nfs/dbraw/zinc/30/45/81/340304581.db2.gz VETJXGXTMBGQOF-UHFFFAOYSA-N 1 1 303.427 3.954 20 30 DHEDMO C=CC[N@H+](Cc1sccc1OC)Cc1ccc(OC)cc1 ZINC000510635005 340304582 /nfs/dbraw/zinc/30/45/82/340304582.db2.gz VETJXGXTMBGQOF-UHFFFAOYSA-N 1 1 303.427 3.954 20 30 DHEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000512445114 340362032 /nfs/dbraw/zinc/36/20/32/340362032.db2.gz WNIKFESLLZTAGO-DYVFJYSZSA-N 1 1 306.837 3.727 20 30 DHEDMO C[C@@H](N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512618821 340369247 /nfs/dbraw/zinc/36/92/47/340369247.db2.gz JVIJKURQRRBNAZ-XUWVNRHRSA-N 1 1 317.452 3.714 20 30 DHEDMO C[C@@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H]1C ZINC000174873910 340398250 /nfs/dbraw/zinc/39/82/50/340398250.db2.gz MYULOBDBHJSQHD-HZPDHXFCSA-N 1 1 323.440 3.858 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000189875212 340540685 /nfs/dbraw/zinc/54/06/85/340540685.db2.gz JHDLYTZMERCLSC-RDJZCZTQSA-N 1 1 308.853 3.661 20 30 DHEDMO CCC(C#N)(CC)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000529224510 340749021 /nfs/dbraw/zinc/74/90/21/340749021.db2.gz DMCVJUOYEQWDDV-UHFFFAOYSA-N 1 1 307.825 3.670 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@H]1CC=CCC1 ZINC000542248643 341001857 /nfs/dbraw/zinc/00/18/57/341001857.db2.gz UQKQJUUKDWJXHJ-ZDUSSCGKSA-N 1 1 306.356 3.948 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000542630600 341015309 /nfs/dbraw/zinc/01/53/09/341015309.db2.gz KBHBFONSBATDJI-LAUBAEHRSA-N 1 1 320.436 3.953 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000542630600 341015310 /nfs/dbraw/zinc/01/53/10/341015310.db2.gz KBHBFONSBATDJI-LAUBAEHRSA-N 1 1 320.436 3.953 20 30 DHEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(-c3ccccc3)on1)CC2 ZINC000564259418 341020637 /nfs/dbraw/zinc/02/06/37/341020637.db2.gz MYUREMDRGAIOGE-IBGZPJMESA-N 1 1 315.376 3.990 20 30 DHEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccc(OC)cc1OC ZINC000543129866 341033210 /nfs/dbraw/zinc/03/32/10/341033210.db2.gz RGOSTDHDLMPPMS-UHFFFAOYSA-N 1 1 324.424 3.792 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)Cc2ccc(CC#N)cc2)cc1 ZINC000543139701 341033768 /nfs/dbraw/zinc/03/37/68/341033768.db2.gz WFOMVRBNJRYEJN-UHFFFAOYSA-N 1 1 308.425 3.826 20 30 DHEDMO COCC[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccco1 ZINC000543458645 341045784 /nfs/dbraw/zinc/04/57/84/341045784.db2.gz IWRSTYXMVWEANO-INIZCTEOSA-N 1 1 303.789 3.652 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C1CC1 ZINC000543620745 341051384 /nfs/dbraw/zinc/05/13/84/341051384.db2.gz KNCCMELEAYXMKV-UHFFFAOYSA-N 1 1 303.299 3.917 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1N1CCCC1 ZINC000131204843 341065111 /nfs/dbraw/zinc/06/51/11/341065111.db2.gz OXGDBHYIPBJMNF-UHFFFAOYSA-N 1 1 323.415 3.930 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1N1CCCC1 ZINC000131204843 341065112 /nfs/dbraw/zinc/06/51/12/341065112.db2.gz OXGDBHYIPBJMNF-UHFFFAOYSA-N 1 1 323.415 3.930 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000544142878 341071934 /nfs/dbraw/zinc/07/19/34/341071934.db2.gz DFRRGZYIVBJCAH-GOSISDBHSA-N 1 1 320.392 3.818 20 30 DHEDMO CCC[C@@]1(C)CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072896134 341110152 /nfs/dbraw/zinc/11/01/52/341110152.db2.gz ZKFLTCBDJWHYDB-IBGZPJMESA-N 1 1 313.445 3.789 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1cc2c(cc1OC)OCO2 ZINC000545561813 341130507 /nfs/dbraw/zinc/13/05/07/341130507.db2.gz OWPPIAJAONTAFH-UHFFFAOYSA-N 1 1 317.410 3.674 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc2c(cc1OC)OCO2 ZINC000545561813 341130508 /nfs/dbraw/zinc/13/05/08/341130508.db2.gz OWPPIAJAONTAFH-UHFFFAOYSA-N 1 1 317.410 3.674 20 30 DHEDMO C[C@H](NC(C)(C)C[NH2+]Cc1ccc(C#N)cc1)c1ccccc1 ZINC000074372293 341144850 /nfs/dbraw/zinc/14/48/50/341144850.db2.gz BYDVBKSTDDHUPW-INIZCTEOSA-N 1 1 307.441 3.777 20 30 DHEDMO COc1ccc(C[C@H](C)C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1F ZINC000547017660 341191640 /nfs/dbraw/zinc/19/16/40/341191640.db2.gz VFZXEYUPVKZLCG-KBPBESRZSA-N 1 1 304.409 3.637 20 30 DHEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000134221593 341209929 /nfs/dbraw/zinc/20/99/29/341209929.db2.gz REQOQNCKIFVKFT-YJYMSZOUSA-N 1 1 310.372 3.521 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccc(OC)c(C#N)c2)C2CC2)cc1 ZINC000134955228 341227232 /nfs/dbraw/zinc/22/72/32/341227232.db2.gz CAMTWBGXHMYENI-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO CC(C)C[C@H]1COCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135229539 341233668 /nfs/dbraw/zinc/23/36/68/341233668.db2.gz ZLQJGPZCLHFHDI-KRWDZBQOSA-N 1 1 300.446 3.735 20 30 DHEDMO C=CC[C@@H](C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC000547978555 341241817 /nfs/dbraw/zinc/24/18/17/341241817.db2.gz JSPLZQABRRMPEY-UXHICEINSA-N 1 1 320.436 3.649 20 30 DHEDMO C=CC[C@@H](C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC000547978555 341241818 /nfs/dbraw/zinc/24/18/18/341241818.db2.gz JSPLZQABRRMPEY-UXHICEINSA-N 1 1 320.436 3.649 20 30 DHEDMO CCCC[N@H+]1CCCC[C@H]1CNc1ncc(C#N)cc1Cl ZINC000078650296 341245647 /nfs/dbraw/zinc/24/56/47/341245647.db2.gz TWPMTVQLXQVUBP-AWEZNQCLSA-N 1 1 306.841 3.673 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)c1 ZINC000079502716 341260314 /nfs/dbraw/zinc/26/03/14/341260314.db2.gz RKKYVZPWMMEYEM-OAQYLSRUSA-N 1 1 320.436 3.782 20 30 DHEDMO COC(=O)c1cccc(C[NH2+]C(C)(C)c2ccccc2C)c1C#N ZINC000549867926 341305604 /nfs/dbraw/zinc/30/56/04/341305604.db2.gz IEUWFUWUNGFZHL-UHFFFAOYSA-N 1 1 322.408 3.678 20 30 DHEDMO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc(C#N)c2)[C@@H](C)CO1 ZINC000247532471 341366801 /nfs/dbraw/zinc/36/68/01/341366801.db2.gz OHSIUYFVAIJSPX-OXJNMPFZSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@@H](C)CO1 ZINC000247532471 341366802 /nfs/dbraw/zinc/36/68/02/341366802.db2.gz OHSIUYFVAIJSPX-OXJNMPFZSA-N 1 1 306.409 3.829 20 30 DHEDMO C=CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000249583018 341399545 /nfs/dbraw/zinc/39/95/45/341399545.db2.gz RWTLWCOESNQXLQ-PKOBYXMFSA-N 1 1 314.473 3.583 20 30 DHEDMO C=C1CC[NH+](CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000553277567 341423027 /nfs/dbraw/zinc/42/30/27/341423027.db2.gz PPXQXEKPBWVCKN-UHFFFAOYSA-N 1 1 307.821 3.696 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000576508690 341849802 /nfs/dbraw/zinc/84/98/02/341849802.db2.gz IHKXXLKZNSVPDD-SWLSCSKDSA-N 1 1 303.793 3.587 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(CNc2ccc(Cl)c(C#N)n2)c1 ZINC000264810440 520257590 /nfs/dbraw/zinc/25/75/90/520257590.db2.gz DRXOTIPSDNIXBW-UHFFFAOYSA-N 1 1 314.820 3.670 20 30 DHEDMO CC(C)(C)C1=CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000340191362 534541017 /nfs/dbraw/zinc/54/10/17/534541017.db2.gz LYCCSOGKFCJPNV-UHFFFAOYSA-N 1 1 311.429 3.565 20 30 DHEDMO CCC(C)(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000156838094 521365457 /nfs/dbraw/zinc/36/54/57/521365457.db2.gz DNLAVYFJGMJXLE-CQSZACIVSA-N 1 1 319.474 3.849 20 30 DHEDMO CCCc1[nH+]ccn1Cc1ccc(C#N)cc1Br ZINC000182381573 521553410 /nfs/dbraw/zinc/55/34/10/521553410.db2.gz OMBHYVIYZGBNHO-UHFFFAOYSA-N 1 1 304.191 3.518 20 30 DHEDMO CC[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000245459325 523562658 /nfs/dbraw/zinc/56/26/58/523562658.db2.gz VHCQYHHOFGSGII-FZKQIMNGSA-N 1 1 317.433 3.607 20 30 DHEDMO CC[C@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000245459325 523562671 /nfs/dbraw/zinc/56/26/71/523562671.db2.gz VHCQYHHOFGSGII-FZKQIMNGSA-N 1 1 317.433 3.607 20 30 DHEDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)cc1OC ZINC000124655439 525416143 /nfs/dbraw/zinc/41/61/43/525416143.db2.gz PEQYKJDAFSZGNF-MRXNPFEDSA-N 1 1 312.369 3.506 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)o2)cc1OC ZINC000124655439 525416147 /nfs/dbraw/zinc/41/61/47/525416147.db2.gz PEQYKJDAFSZGNF-MRXNPFEDSA-N 1 1 312.369 3.506 20 30 DHEDMO C[C@H]([NH2+]Cc1cccnc1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000366288367 525464374 /nfs/dbraw/zinc/46/43/74/525464374.db2.gz GFIMOZSCUZKWIZ-ZDUSSCGKSA-N 1 1 320.421 3.928 20 30 DHEDMO C[C@@H]([NH2+]Cc1cccnc1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000366288366 525539802 /nfs/dbraw/zinc/53/98/02/525539802.db2.gz GFIMOZSCUZKWIZ-CYBMUJFWSA-N 1 1 320.421 3.928 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189172560 526552888 /nfs/dbraw/zinc/55/28/88/526552888.db2.gz JVNSMFTZSHMXDE-KRWDZBQOSA-N 1 1 304.821 3.603 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCCSCC2)c(C(F)(F)F)c1 ZINC000356312968 526610784 /nfs/dbraw/zinc/61/07/84/526610784.db2.gz CWEUHRFFJOSQHK-UHFFFAOYSA-N 1 1 300.349 3.516 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000267439526 526704165 /nfs/dbraw/zinc/70/41/65/526704165.db2.gz HMSQIIVYNCPYSC-DLBZAZTESA-N 1 1 312.438 3.708 20 30 DHEDMO N#Cc1cccc(C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)c1 ZINC000106471264 526709047 /nfs/dbraw/zinc/70/90/47/526709047.db2.gz HTPQSFSTWMFDIT-FQEVSTJZSA-N 1 1 317.367 3.972 20 30 DHEDMO C=CC[NH+]1CCN(c2nc(Cl)ccc2-c2ccccc2)CC1 ZINC001165031718 721866419 /nfs/dbraw/zinc/86/64/19/721866419.db2.gz RSLWPIDJCXIIGW-UHFFFAOYSA-N 1 1 313.832 3.710 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182780269 1013060359 /nfs/dbraw/zinc/06/03/59/1013060359.db2.gz JWKDJOSOXYISMF-YESZJQIVSA-N 1 1 321.509 3.683 20 30 DHEDMO C=CCCCC[N@H+]1Cc2cn(CC3CC3)nc2[C@@H](COCC)C1 ZINC001209200054 1013080937 /nfs/dbraw/zinc/08/09/37/1013080937.db2.gz FTISKXGGIHIBCD-GOSISDBHSA-N 1 1 317.477 3.585 20 30 DHEDMO C=CCCCC[N@H+]1CCC[C@]2(CCC(=O)N2CC=C)[C@@H]1CC ZINC001209200038 1013081290 /nfs/dbraw/zinc/08/12/90/1013081290.db2.gz FKLHJGGILONNMC-HKUYNNGSSA-N 1 1 304.478 3.764 20 30 DHEDMO C=CCCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)CC[C@H]1C ZINC001209200069 1013081649 /nfs/dbraw/zinc/08/16/49/1013081649.db2.gz AXIHLNHYLYIVGL-CVEARBPZSA-N 1 1 310.482 3.968 20 30 DHEDMO C=CCN(Cc1ccc(OC)cc1)C[C@@H]1CCCC[N@H+]1C(C)C ZINC001167115897 1013185280 /nfs/dbraw/zinc/18/52/80/1013185280.db2.gz KUBMNNGNBKKDKN-IBGZPJMESA-N 1 1 316.489 3.946 20 30 DHEDMO CSc1cc(Br)ccc1C[NH2+]CC1(C#N)CC1 ZINC000518879645 1013239707 /nfs/dbraw/zinc/23/97/07/1013239707.db2.gz IGYQCCZXFWGPQY-UHFFFAOYSA-N 1 1 311.248 3.564 20 30 DHEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001209432734 1013275269 /nfs/dbraw/zinc/27/52/69/1013275269.db2.gz JRLVABFWSDLNKI-GOSISDBHSA-N 1 1 318.436 3.766 20 30 DHEDMO C=CCCCCCC[N@@H+]1CC[C@@H](Oc2ncccc2OC)C1 ZINC001209438535 1013279734 /nfs/dbraw/zinc/27/97/34/1013279734.db2.gz NDXSNMBDYSOOOU-MRXNPFEDSA-N 1 1 304.434 3.680 20 30 DHEDMO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cn1 ZINC000358591309 1013495689 /nfs/dbraw/zinc/49/56/89/1013495689.db2.gz OQQGHTSXEKVCHV-ZDUSSCGKSA-N 1 1 313.376 3.730 20 30 DHEDMO N#Cc1cccc(C[NH2+]Cc2csc(-c3ccccc3)n2)c1 ZINC000126717745 1013574535 /nfs/dbraw/zinc/57/45/35/1013574535.db2.gz IEXXLKYLPMYPBF-UHFFFAOYSA-N 1 1 305.406 3.972 20 30 DHEDMO CC(C)(C#N)C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000232524577 1013589130 /nfs/dbraw/zinc/58/91/30/1013589130.db2.gz SEGVSPDAUGUWFJ-UHFFFAOYSA-N 1 1 301.615 3.742 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)nc1 ZINC000519769157 1013600454 /nfs/dbraw/zinc/60/04/54/1013600454.db2.gz YPZLEBDJWJOPPF-OAQYLSRUSA-N 1 1 317.436 3.823 20 30 DHEDMO CCOc1cncc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)c1 ZINC000598679426 1013601222 /nfs/dbraw/zinc/60/12/22/1013601222.db2.gz SPIAXYTZDFAYMH-OAHLLOKOSA-N 1 1 309.413 3.935 20 30 DHEDMO CC[N@@H+](CCc1cccs1)Cc1cn2ccccc2c1C#N ZINC000519906044 1013619914 /nfs/dbraw/zinc/61/99/14/1013619914.db2.gz CYTGYKOOANCPSP-UHFFFAOYSA-N 1 1 309.438 3.937 20 30 DHEDMO CCCCCCC[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC001167291210 1013623424 /nfs/dbraw/zinc/62/34/24/1013623424.db2.gz IZKDVBFXFLMGRD-UHFFFAOYSA-N 1 1 324.415 3.693 20 30 DHEDMO CC(C)[N@@H+](CCOc1ccccc1C#N)Cc1ccc(F)cc1 ZINC000519918591 1013623607 /nfs/dbraw/zinc/62/36/07/1013623607.db2.gz ZSOWUHHOTGGTQK-UHFFFAOYSA-N 1 1 312.388 3.987 20 30 DHEDMO Cc1ccccc1C[N@@H+](CCOc1cccc(C#N)c1)C1CC1 ZINC000520174861 1013668155 /nfs/dbraw/zinc/66/81/55/1013668155.db2.gz GEDJBEZUEBSKRY-UHFFFAOYSA-N 1 1 306.409 3.910 20 30 DHEDMO Cn1c2ccc(NC[C@H](C#N)CCC#N)cc2[nH+]c1C(C)(C)C ZINC000520220687 1013680617 /nfs/dbraw/zinc/68/06/17/1013680617.db2.gz JCVUBSQSQJNSIL-ZDUSSCGKSA-N 1 1 309.417 3.726 20 30 DHEDMO Cc1cccc(OCC[N@@H+](C)Cc2cn3ccccc3c2C#N)c1 ZINC000141282793 1013690314 /nfs/dbraw/zinc/69/03/14/1013690314.db2.gz AYBAPWHOUVTHDP-UHFFFAOYSA-N 1 1 319.408 3.630 20 30 DHEDMO Cc1cccc(OCC[N@H+](C)Cc2cn3ccccc3c2C#N)c1 ZINC000141282793 1013690320 /nfs/dbraw/zinc/69/03/20/1013690320.db2.gz AYBAPWHOUVTHDP-UHFFFAOYSA-N 1 1 319.408 3.630 20 30 DHEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000441179580 1013696175 /nfs/dbraw/zinc/69/61/75/1013696175.db2.gz VCSYTKUKFRDRNL-SFHVURJKSA-N 1 1 303.833 3.584 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000441179580 1013696176 /nfs/dbraw/zinc/69/61/76/1013696176.db2.gz VCSYTKUKFRDRNL-SFHVURJKSA-N 1 1 303.833 3.584 20 30 DHEDMO C=CC[N@@H+](CCc1ccc2c(c1)CCO2)Cc1cccc(C#N)c1 ZINC000441280328 1013706386 /nfs/dbraw/zinc/70/63/86/1013706386.db2.gz DKCPOFMGQLLNFG-UHFFFAOYSA-N 1 1 318.420 3.724 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000120901662 1013706692 /nfs/dbraw/zinc/70/66/92/1013706692.db2.gz SBNWOPBYNNTREL-GFCCVEGCSA-N 1 1 315.442 3.833 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000120901662 1013706686 /nfs/dbraw/zinc/70/66/86/1013706686.db2.gz SBNWOPBYNNTREL-GFCCVEGCSA-N 1 1 315.442 3.833 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000441348971 1013724595 /nfs/dbraw/zinc/72/45/95/1013724595.db2.gz RLVAVTUSMCZRGN-CRAIPNDOSA-N 1 1 318.436 3.633 20 30 DHEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1coc(C2CCCC2)n1 ZINC000328770497 1013796762 /nfs/dbraw/zinc/79/67/62/1013796762.db2.gz RBOFJBCSDMYNCZ-AWEZNQCLSA-N 1 1 305.422 3.511 20 30 DHEDMO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1cccc(C#N)c1 ZINC000610343468 1013952612 /nfs/dbraw/zinc/95/26/12/1013952612.db2.gz IMQJCLSHNGUVEW-OLZOCXBDSA-N 1 1 318.380 3.619 20 30 DHEDMO CC(C)[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000610369637 1013999198 /nfs/dbraw/zinc/99/91/98/1013999198.db2.gz KSMCZYYXANOLQQ-INIZCTEOSA-N 1 1 324.428 3.866 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)s1 ZINC000119059396 1014106955 /nfs/dbraw/zinc/10/69/55/1014106955.db2.gz LCDXGJMQDLRNIB-MRXNPFEDSA-N 1 1 312.438 3.801 20 30 DHEDMO C=CC[N@@H+](CC(=O)OCc1ccccc1)CC1CCCCC1 ZINC001167388003 1014106975 /nfs/dbraw/zinc/10/69/75/1014106975.db2.gz ZYRSOVIKXONOIZ-UHFFFAOYSA-N 1 1 301.430 3.798 20 30 DHEDMO C=CC[N@H+](CC(=O)OCc1ccccc1)CC1CCCCC1 ZINC001167388003 1014106976 /nfs/dbraw/zinc/10/69/76/1014106976.db2.gz ZYRSOVIKXONOIZ-UHFFFAOYSA-N 1 1 301.430 3.798 20 30 DHEDMO CC(C)C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000119189900 1014208537 /nfs/dbraw/zinc/20/85/37/1014208537.db2.gz TWGOXHVLGWDPBA-INIZCTEOSA-N 1 1 313.445 3.645 20 30 DHEDMO C=C(Br)CN1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000374404685 1029323517 /nfs/dbraw/zinc/32/35/17/1029323517.db2.gz KHTXYJQDRJLYOJ-CYBMUJFWSA-N 1 1 312.255 3.552 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000056267412 1014267684 /nfs/dbraw/zinc/26/76/84/1014267684.db2.gz VQPLDGCPGGHREQ-UHFFFAOYSA-N 1 1 300.446 3.711 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1ccc(C#N)cc1 ZINC000610451733 1014292611 /nfs/dbraw/zinc/29/26/11/1014292611.db2.gz HCIJDPKVUQJBEZ-SFHVURJKSA-N 1 1 319.452 3.655 20 30 DHEDMO C[C@H]1CCN(Cc2ccccc2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000610451733 1014292621 /nfs/dbraw/zinc/29/26/21/1014292621.db2.gz HCIJDPKVUQJBEZ-SFHVURJKSA-N 1 1 319.452 3.655 20 30 DHEDMO C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000610451733 1014292626 /nfs/dbraw/zinc/29/26/26/1014292626.db2.gz HCIJDPKVUQJBEZ-SFHVURJKSA-N 1 1 319.452 3.655 20 30 DHEDMO Cc1cnc([C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000175858569 1014365718 /nfs/dbraw/zinc/36/57/18/1014365718.db2.gz YSLDZBDAMGXVMA-AAEUAGOBSA-N 1 1 301.415 3.593 20 30 DHEDMO C=CCCCCC[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000193362306 1014395824 /nfs/dbraw/zinc/39/58/24/1014395824.db2.gz NAXMRRXXIMCLEV-UHFFFAOYSA-N 1 1 314.429 3.748 20 30 DHEDMO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000895114081 1014447968 /nfs/dbraw/zinc/44/79/68/1014447968.db2.gz DGNVOGNMQNRETB-UHFFFAOYSA-N 1 1 320.458 3.564 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C2(CC2)C1 ZINC001141662412 1014451608 /nfs/dbraw/zinc/45/16/08/1014451608.db2.gz IVFUEDIPHGFETD-LLVKDONJSA-N 1 1 305.219 3.695 20 30 DHEDMO C=CCC[C@H](C(=O)N[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000427809909 1014531444 /nfs/dbraw/zinc/53/14/44/1014531444.db2.gz WRUNAQYIPKNYKY-OALUTQOASA-N 1 1 314.473 3.725 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000521069074 1014637805 /nfs/dbraw/zinc/63/78/05/1014637805.db2.gz ZWWBWMHKNVBAOW-ROUUACIJSA-N 1 1 314.473 3.507 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000521069074 1014637807 /nfs/dbraw/zinc/63/78/07/1014637807.db2.gz ZWWBWMHKNVBAOW-ROUUACIJSA-N 1 1 314.473 3.507 20 30 DHEDMO N#CCCC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000521231663 1014671935 /nfs/dbraw/zinc/67/19/35/1014671935.db2.gz ZUGRFQGYWOBJBT-UHFFFAOYSA-N 1 1 312.442 3.721 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000276094393 1014675015 /nfs/dbraw/zinc/67/50/15/1014675015.db2.gz DHRMUCDVHXAHEI-IMFGXOCKSA-N 1 1 314.473 3.616 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000442675822 1014713502 /nfs/dbraw/zinc/71/35/02/1014713502.db2.gz BMSYCLYEELEJTI-HNNXBMFYSA-N 1 1 305.381 3.502 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(OC)c2)cc1 ZINC000442794744 1014736217 /nfs/dbraw/zinc/73/62/17/1014736217.db2.gz DJAXOBIBPGIIAN-LJQANCHMSA-N 1 1 322.408 3.913 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)ccc1C#N ZINC000442801545 1014736600 /nfs/dbraw/zinc/73/66/00/1014736600.db2.gz MXMNMJRCJJZSQP-SFHVURJKSA-N 1 1 306.409 3.631 20 30 DHEDMO COc1cc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)ccc1C#N ZINC000442798119 1014737530 /nfs/dbraw/zinc/73/75/30/1014737530.db2.gz JHPSTDIDZYJYGI-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)ccc1C#N ZINC000442813335 1014742361 /nfs/dbraw/zinc/74/23/61/1014742361.db2.gz RVIZYROSCXQGSA-LJQANCHMSA-N 1 1 306.409 3.774 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@@H](c3cccc(C)c3)C2)ccc1C#N ZINC000442839225 1014748001 /nfs/dbraw/zinc/74/80/01/1014748001.db2.gz VMQPJRVTEJFLQP-LJQANCHMSA-N 1 1 306.409 3.865 20 30 DHEDMO CCC[N@@H+](C)CC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000521647373 1014760947 /nfs/dbraw/zinc/76/09/47/1014760947.db2.gz VQTWSGRWZDIWFZ-UHFFFAOYSA-N 1 1 323.396 3.631 20 30 DHEDMO COc1cc(C[N@@H+](CCc2ccc(F)cc2)C2CC2)ccc1C#N ZINC000442885145 1014763428 /nfs/dbraw/zinc/76/34/28/1014763428.db2.gz MJVMEGFBPLZKED-UHFFFAOYSA-N 1 1 324.399 3.913 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Br)s1 ZINC000442998035 1014786397 /nfs/dbraw/zinc/78/63/97/1014786397.db2.gz IDEBEQPWQRWVMO-MRVPVSSYSA-N 1 1 311.204 3.826 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@@H+](CCO)CCc1ccccc1 ZINC000135224623 1014864315 /nfs/dbraw/zinc/86/43/15/1014864315.db2.gz UOQMVKNFFCSYMR-UHFFFAOYSA-N 1 1 322.452 3.525 20 30 DHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2OC)C1 ZINC000121091428 1014925233 /nfs/dbraw/zinc/92/52/33/1014925233.db2.gz WUNUCZVMFSQULC-JKSUJKDBSA-N 1 1 304.459 3.673 20 30 DHEDMO CC(C)(C)OC(=O)c1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)s1 ZINC000895229790 1014954693 /nfs/dbraw/zinc/95/46/93/1014954693.db2.gz YGKQPUCIHIQJDN-CYBMUJFWSA-N 1 1 320.458 3.829 20 30 DHEDMO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)s1 ZINC000895229790 1014954709 /nfs/dbraw/zinc/95/47/09/1014954709.db2.gz YGKQPUCIHIQJDN-CYBMUJFWSA-N 1 1 320.458 3.829 20 30 DHEDMO CC[N@@H+](CCCOc1cccc(C(F)(F)F)c1)C[C@@H](C)C#N ZINC000522230207 1014973807 /nfs/dbraw/zinc/97/38/07/1014973807.db2.gz WMGHYFQNWNARIS-ZDUSSCGKSA-N 1 1 314.351 3.956 20 30 DHEDMO C=CCC[N@H+](C)Cc1csc(-c2cccc(OC)c2OC)n1 ZINC000276353620 1014994087 /nfs/dbraw/zinc/99/40/87/1014994087.db2.gz DSGSJLAAZDYAKM-UHFFFAOYSA-N 1 1 318.442 3.835 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000121113021 1014996695 /nfs/dbraw/zinc/99/66/95/1014996695.db2.gz RIYIJDFTCQUYFZ-GOSISDBHSA-N 1 1 309.413 3.633 20 30 DHEDMO N#Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1C(F)(F)F ZINC000317625906 1015125736 /nfs/dbraw/zinc/12/57/36/1015125736.db2.gz VQTHHTQWDFEXOW-KGLIPLIRSA-N 1 1 309.335 3.616 20 30 DHEDMO C=CCC[N@@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000276440883 1015169975 /nfs/dbraw/zinc/16/99/75/1015169975.db2.gz OPARFFIWXFFUSI-UHFFFAOYSA-N 1 1 322.206 3.507 20 30 DHEDMO C=CCC[N@H+](C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000276440883 1015169980 /nfs/dbraw/zinc/16/99/80/1015169980.db2.gz OPARFFIWXFFUSI-UHFFFAOYSA-N 1 1 322.206 3.507 20 30 DHEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OCC ZINC000895598860 1015220777 /nfs/dbraw/zinc/22/07/77/1015220777.db2.gz VXKQLCIUCBIKOE-XQQFMLRXSA-N 1 1 307.356 3.595 20 30 DHEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000276505162 1015231559 /nfs/dbraw/zinc/23/15/59/1015231559.db2.gz WVKNIDCLCZCPQW-JTQLQIEISA-N 1 1 301.217 3.828 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000025360094 1015250077 /nfs/dbraw/zinc/25/00/77/1015250077.db2.gz ROKTWGJGCARWGX-LJQANCHMSA-N 1 1 310.372 3.913 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3csc(C#N)c3)C2)cc1F ZINC000895666530 1015252645 /nfs/dbraw/zinc/25/26/45/1015252645.db2.gz NGRBGXFFQASKIP-CQSZACIVSA-N 1 1 316.401 3.757 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2ccsc2C(F)(F)F)CC1 ZINC000895834234 1015327249 /nfs/dbraw/zinc/32/72/49/1015327249.db2.gz IEVZMSRIJRSLPP-UHFFFAOYSA-N 1 1 305.365 3.670 20 30 DHEDMO COc1cc(C)c(C[N@H+](C)Cc2csc(C#N)c2)cc1OC ZINC000891512866 1015343148 /nfs/dbraw/zinc/34/31/48/1015343148.db2.gz YFUUTPATUCWOEK-UHFFFAOYSA-N 1 1 316.426 3.577 20 30 DHEDMO COc1cc(C)c(C[N@@H+](C)Cc2csc(C#N)c2)cc1OC ZINC000891512866 1015343156 /nfs/dbraw/zinc/34/31/56/1015343156.db2.gz YFUUTPATUCWOEK-UHFFFAOYSA-N 1 1 316.426 3.577 20 30 DHEDMO CC(C)[N@@H+](Cc1cnn(C2CCC2)c1)Cc1ccc(C#N)cc1 ZINC000891623925 1015462211 /nfs/dbraw/zinc/46/22/11/1015462211.db2.gz SFTXNKVKYJSCHU-UHFFFAOYSA-N 1 1 308.429 3.890 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC)[C@@H](C)c1cccc(OC)c1 ZINC000054340034 1015488002 /nfs/dbraw/zinc/48/80/02/1015488002.db2.gz WMUDWTNYRYPRQJ-INIZCTEOSA-N 1 1 318.461 3.503 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000084133766 1015513145 /nfs/dbraw/zinc/51/31/45/1015513145.db2.gz WPBLLZGMRVAESN-SFHVURJKSA-N 1 1 300.446 3.650 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2cc(C#N)ccn2)cc1 ZINC000341553905 1015519345 /nfs/dbraw/zinc/51/93/45/1015519345.db2.gz VXYQZADGYINOKT-MRXNPFEDSA-N 1 1 320.440 3.940 20 30 DHEDMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CC1(C)C ZINC000896364490 1015562665 /nfs/dbraw/zinc/56/26/65/1015562665.db2.gz FZCAOFBROIEYSK-CQSZACIVSA-N 1 1 323.481 3.551 20 30 DHEDMO C=CC[N@H+](C)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000121579846 1015635950 /nfs/dbraw/zinc/63/59/50/1015635950.db2.gz SUVMRKPMJJYPCB-UHFFFAOYSA-N 1 1 302.805 3.932 20 30 DHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2conc2C2CC2)C1 ZINC000329087408 1015637503 /nfs/dbraw/zinc/63/75/03/1015637503.db2.gz HHGQFFMMRCRFTN-CYBMUJFWSA-N 1 1 319.449 3.757 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](C4CCCC4)C3)o2)cc1 ZINC000562933685 1015645050 /nfs/dbraw/zinc/64/50/50/1015645050.db2.gz PRCNRKLHIJZJLX-QGZVFWFLSA-N 1 1 322.412 3.620 20 30 DHEDMO CCOc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)nc1 ZINC000610675364 1015702877 /nfs/dbraw/zinc/70/28/77/1015702877.db2.gz GIFCPGOZXMVZIC-UHFFFAOYSA-N 1 1 307.397 3.517 20 30 DHEDMO CCOc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)nc1 ZINC000610675364 1015702883 /nfs/dbraw/zinc/70/28/83/1015702883.db2.gz GIFCPGOZXMVZIC-UHFFFAOYSA-N 1 1 307.397 3.517 20 30 DHEDMO C=C(C)C[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@H]21 ZINC000479113897 1033656264 /nfs/dbraw/zinc/65/62/64/1033656264.db2.gz FDMJGFUKRQNOME-HSFUPAIVSA-N 1 1 306.494 3.746 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H](O)C3CCCCC3)CC2)cc1 ZINC000474964571 1015731574 /nfs/dbraw/zinc/73/15/74/1015731574.db2.gz HFDCDTYRRNWGIF-HXUWFJFHSA-N 1 1 310.441 3.589 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)ccc1F ZINC000610719642 1015740961 /nfs/dbraw/zinc/74/09/61/1015740961.db2.gz WOFHCQOUTFDBSD-LJQANCHMSA-N 1 1 310.372 3.661 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc(C#N)cc2F)C1 ZINC000538099570 1015763073 /nfs/dbraw/zinc/76/30/73/1015763073.db2.gz VQLBYOHOHOODSS-WMLDXEAASA-N 1 1 309.388 3.945 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(CNc2cc(C)nc(C#N)c2)cc1F ZINC000341851664 1015771066 /nfs/dbraw/zinc/77/10/66/1015771066.db2.gz ZKTQHJHKSSZTBF-UHFFFAOYSA-N 1 1 321.359 3.507 20 30 DHEDMO COc1cc2c(cc1C[N@H+](C)Cc1ccc(C#N)cc1)O[C@H](C)C2 ZINC000535785878 1015824192 /nfs/dbraw/zinc/82/41/92/1015824192.db2.gz ZJWALHMMJGYAEC-CQSZACIVSA-N 1 1 322.408 3.522 20 30 DHEDMO COc1cc2c(cc1C[N@@H+](C)Cc1ccc(C#N)cc1)O[C@H](C)C2 ZINC000535785878 1015824197 /nfs/dbraw/zinc/82/41/97/1015824197.db2.gz ZJWALHMMJGYAEC-CQSZACIVSA-N 1 1 322.408 3.522 20 30 DHEDMO C=CCOC1CCC([N@H+](C)CCc2ccc(OC)cc2)CC1 ZINC001173327849 1033689498 /nfs/dbraw/zinc/68/94/98/1033689498.db2.gz UEZRMNSGVVMEIJ-UHFFFAOYSA-N 1 1 303.446 3.683 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000187715314 1016219116 /nfs/dbraw/zinc/21/91/16/1016219116.db2.gz YJCBYWOEAKKNQL-XFQXTVEOSA-N 1 1 309.457 3.568 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000187715314 1016219152 /nfs/dbraw/zinc/21/91/52/1016219152.db2.gz YJCBYWOEAKKNQL-XFQXTVEOSA-N 1 1 309.457 3.568 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000187715314 1016219158 /nfs/dbraw/zinc/21/91/58/1016219158.db2.gz YJCBYWOEAKKNQL-XFQXTVEOSA-N 1 1 309.457 3.568 20 30 DHEDMO COc1ccc(C[N@H+](C)Cc2cn3ccccc3c2C#N)cc1C ZINC000071959557 1016285222 /nfs/dbraw/zinc/28/52/22/1016285222.db2.gz SRKRGJCRYZGKMV-UHFFFAOYSA-N 1 1 319.408 3.760 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2cn3ccccc3c2C#N)cc1C ZINC000071959557 1016285226 /nfs/dbraw/zinc/28/52/26/1016285226.db2.gz SRKRGJCRYZGKMV-UHFFFAOYSA-N 1 1 319.408 3.760 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1OCCCC#N ZINC000157709187 1016315839 /nfs/dbraw/zinc/31/58/39/1016315839.db2.gz HAOIROASFIJCQU-OAHLLOKOSA-N 1 1 302.418 3.610 20 30 DHEDMO C[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)[N@@H+]1CCCC[C@@H]1C ZINC000539607483 1016364508 /nfs/dbraw/zinc/36/45/08/1016364508.db2.gz KAMHBTSXCNUCLG-ZNMIVQPWSA-N 1 1 303.425 3.611 20 30 DHEDMO C[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)[N@H+]1CCCC[C@@H]1C ZINC000539607483 1016364520 /nfs/dbraw/zinc/36/45/20/1016364520.db2.gz KAMHBTSXCNUCLG-ZNMIVQPWSA-N 1 1 303.425 3.611 20 30 DHEDMO N#CCCC[N@@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000346469963 1016402387 /nfs/dbraw/zinc/40/23/87/1016402387.db2.gz NVLBMTHWMPTJLP-UHFFFAOYSA-N 1 1 311.198 3.856 20 30 DHEDMO N#CCCC[N@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000346469963 1016402389 /nfs/dbraw/zinc/40/23/89/1016402389.db2.gz NVLBMTHWMPTJLP-UHFFFAOYSA-N 1 1 311.198 3.856 20 30 DHEDMO C[N@@H+](Cc1ccccc1)[C@H](C/N=C\c1ccccc1O)C1CC1 ZINC000588506975 1016404523 /nfs/dbraw/zinc/40/45/23/1016404523.db2.gz QAUKATNBYPDLPD-UOIFGXKSSA-N 1 1 308.425 3.722 20 30 DHEDMO Cn1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C2CC2)n1 ZINC000892199590 1016413595 /nfs/dbraw/zinc/41/35/95/1016413595.db2.gz AMTFVUDCCGDAJY-OALUTQOASA-N 1 1 320.440 3.569 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C2CC2)n1 ZINC000892199590 1016413601 /nfs/dbraw/zinc/41/36/01/1016413601.db2.gz AMTFVUDCCGDAJY-OALUTQOASA-N 1 1 320.440 3.569 20 30 DHEDMO C=CC1(CC(=O)N2CCC(c3cnc[nH]3)CC2)CCCCC1 ZINC000934316686 1016422852 /nfs/dbraw/zinc/42/28/52/1016422852.db2.gz PDRWPDGTBCFURQ-UHFFFAOYSA-N 1 1 301.434 3.642 20 30 DHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2csc(C#N)c2)C1 ZINC000892224228 1016513516 /nfs/dbraw/zinc/51/35/16/1016513516.db2.gz CGQGUSPVWCJFGI-CYBMUJFWSA-N 1 1 320.458 3.564 20 30 DHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000892224228 1016513522 /nfs/dbraw/zinc/51/35/22/1016513522.db2.gz CGQGUSPVWCJFGI-CYBMUJFWSA-N 1 1 320.458 3.564 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000120032658 1016547803 /nfs/dbraw/zinc/54/78/03/1016547803.db2.gz RGIKLEQFPOARSR-INIZCTEOSA-N 1 1 321.424 3.797 20 30 DHEDMO Cc1nc(-c2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)cs1 ZINC000540595678 1016568416 /nfs/dbraw/zinc/56/84/16/1016568416.db2.gz OKZJQCVGOSQZRV-UHFFFAOYSA-N 1 1 309.394 3.873 20 30 DHEDMO CCc1ccc([C@@H]2CCC[N@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000582332679 1016594429 /nfs/dbraw/zinc/59/44/29/1016594429.db2.gz YCCVDWAGKAOLGQ-MRXNPFEDSA-N 1 1 311.454 3.957 20 30 DHEDMO CCc1ccc([C@@H]2CCC[N@@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000582332679 1016594438 /nfs/dbraw/zinc/59/44/38/1016594438.db2.gz YCCVDWAGKAOLGQ-MRXNPFEDSA-N 1 1 311.454 3.957 20 30 DHEDMO C#CCC(C)(C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000185134205 1016626707 /nfs/dbraw/zinc/62/67/07/1016626707.db2.gz YYFGWFODZMAUBS-INIZCTEOSA-N 1 1 312.457 3.907 20 30 DHEDMO CO[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000281754769 1016703689 /nfs/dbraw/zinc/70/36/89/1016703689.db2.gz REULZVDBGDULMK-XJKSGUPXSA-N 1 1 311.347 3.556 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000347062307 1016720069 /nfs/dbraw/zinc/72/00/69/1016720069.db2.gz VKBWFRCTNFSYTP-INIZCTEOSA-N 1 1 308.853 3.505 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000934459965 1016734690 /nfs/dbraw/zinc/73/46/90/1016734690.db2.gz ITNVEFHUBSVBFC-LBPRGKRZSA-N 1 1 312.335 3.684 20 30 DHEDMO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC[C@@H]1CCCO1 ZINC000342568696 1016779399 /nfs/dbraw/zinc/77/93/99/1016779399.db2.gz MGXXHTQLGCYVAB-INIZCTEOSA-N 1 1 311.347 3.558 20 30 DHEDMO Cc1cnc([C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C2CC2)s1 ZINC000185358345 1016875361 /nfs/dbraw/zinc/87/53/61/1016875361.db2.gz YXGWZDSSOBLSED-OAHLLOKOSA-N 1 1 301.390 3.703 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C#N)ccc1F ZINC000339711673 1016953601 /nfs/dbraw/zinc/95/36/01/1016953601.db2.gz XDJOGLPJSBDRMV-UHFFFAOYSA-N 1 1 307.372 3.980 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000186175056 1017043470 /nfs/dbraw/zinc/04/34/70/1017043470.db2.gz NPJQGYYVKIHXFV-LJQANCHMSA-N 1 1 310.397 3.641 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000523008763 1017050881 /nfs/dbraw/zinc/05/08/81/1017050881.db2.gz BHIHNIWNOZZDBT-GOSISDBHSA-N 1 1 324.399 3.641 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000186257208 1017069246 /nfs/dbraw/zinc/06/92/46/1017069246.db2.gz XETYOFJUVGBXNC-KDOFPFPSSA-N 1 1 312.438 3.890 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000186257208 1017069256 /nfs/dbraw/zinc/06/92/56/1017069256.db2.gz XETYOFJUVGBXNC-KDOFPFPSSA-N 1 1 312.438 3.890 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000186246657 1017064377 /nfs/dbraw/zinc/06/43/77/1017064377.db2.gz XVHMQZUOEFIXMV-OXJNMPFZSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000186246657 1017064389 /nfs/dbraw/zinc/06/43/89/1017064389.db2.gz XVHMQZUOEFIXMV-OXJNMPFZSA-N 1 1 306.409 3.829 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000847021703 1032182053 /nfs/dbraw/zinc/18/20/53/1032182053.db2.gz AWGAGWBZZWZBEK-CQSZACIVSA-N 1 1 312.438 3.664 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000847021703 1032182057 /nfs/dbraw/zinc/18/20/57/1032182057.db2.gz AWGAGWBZZWZBEK-CQSZACIVSA-N 1 1 312.438 3.664 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccccc3F)s2)C1 ZINC000847020936 1032180449 /nfs/dbraw/zinc/18/04/49/1032180449.db2.gz GTVMTVBPUWCIJF-CHWSQXEVSA-N 1 1 315.417 3.750 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccccc3F)s2)C1 ZINC000847020936 1032180467 /nfs/dbraw/zinc/18/04/67/1032180467.db2.gz GTVMTVBPUWCIJF-CHWSQXEVSA-N 1 1 315.417 3.750 20 30 DHEDMO N#Cc1cccc(C[N@H+](CCC(F)(F)F)CC2CC2)c1F ZINC000539248900 1033304481 /nfs/dbraw/zinc/30/44/81/1033304481.db2.gz GTTNREBNCBUMNM-UHFFFAOYSA-N 1 1 300.299 3.862 20 30 DHEDMO N#Cc1cccc(C[N@@H+](CCC(F)(F)F)CC2CC2)c1F ZINC000539248900 1033304498 /nfs/dbraw/zinc/30/44/98/1033304498.db2.gz GTTNREBNCBUMNM-UHFFFAOYSA-N 1 1 300.299 3.862 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(OCC)cc3)n2)C1 ZINC000847021380 1032181500 /nfs/dbraw/zinc/18/15/00/1032181500.db2.gz KVGGLEVORPBXJW-HNNXBMFYSA-N 1 1 310.397 3.586 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2coc(-c3ccc(OCC)cc3)n2)C1 ZINC000847021380 1032181505 /nfs/dbraw/zinc/18/15/05/1032181505.db2.gz KVGGLEVORPBXJW-HNNXBMFYSA-N 1 1 310.397 3.586 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000847027574 1032184589 /nfs/dbraw/zinc/18/45/89/1032184589.db2.gz UTUNSDUBMSIAAI-JKSUJKDBSA-N 1 1 309.413 3.760 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)c(F)c1 ZINC000806138230 1032249685 /nfs/dbraw/zinc/24/96/85/1032249685.db2.gz SMYUIZLKTBPBCF-CQSZACIVSA-N 1 1 301.752 3.523 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)CCC(=O)Nc1ccc(F)cc1 ZINC000362189701 1032266438 /nfs/dbraw/zinc/26/64/38/1032266438.db2.gz XTHGFIUJXLKSIO-UHFFFAOYSA-N 1 1 319.424 3.806 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)C(C2CC2)C2CC2)c1C ZINC000362229302 1032280010 /nfs/dbraw/zinc/28/00/10/1032280010.db2.gz QJQUWBWOKHYWID-UHFFFAOYSA-N 1 1 300.446 3.594 20 30 DHEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)[C@H]1C ZINC001171305294 1032312201 /nfs/dbraw/zinc/31/22/01/1032312201.db2.gz AWPDKTSXGKHVGD-AGIUHOORSA-N 1 1 319.836 3.517 20 30 DHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cscn2)c1 ZINC000772985724 1032343135 /nfs/dbraw/zinc/34/31/35/1032343135.db2.gz XRNDLBFCIMSIMW-JSGCOSHPSA-N 1 1 301.415 3.675 20 30 DHEDMO C=CCC[C@H]([NH2+]C[C@H]1CCN(CCc2ccccc2)C1)C1CC1 ZINC000120944393 1032405944 /nfs/dbraw/zinc/40/59/44/1032405944.db2.gz KNCLPXYJEWCKSI-CTNGQTDRSA-N 1 1 312.501 3.885 20 30 DHEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CC#Cc1ccc(F)cc1)CCC2 ZINC000121398274 1032440469 /nfs/dbraw/zinc/44/04/69/1032440469.db2.gz TUTZGSCCSIDXPL-QGZVFWFLSA-N 1 1 314.429 3.952 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(N2CCCC2)nc1 ZINC000092261496 1032486365 /nfs/dbraw/zinc/48/63/65/1032486365.db2.gz YFTCZHPFLISGON-UHFFFAOYSA-N 1 1 307.441 3.870 20 30 DHEDMO C=CC1CC[NH+]([C@H](C)C(=O)Nc2nc3ccccc3s2)CC1 ZINC000348178509 1032491942 /nfs/dbraw/zinc/49/19/42/1032491942.db2.gz DZTZHUFESJZWFS-GFCCVEGCSA-N 1 1 315.442 3.521 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H](C)CC2)cc1OCCCC#N ZINC000092586345 1032503917 /nfs/dbraw/zinc/50/39/17/1032503917.db2.gz IOGJQMHVKMKKQK-INIZCTEOSA-N 1 1 316.445 4.000 20 30 DHEDMO CCOC[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000093419093 1032535918 /nfs/dbraw/zinc/53/59/18/1032535918.db2.gz XWASYJOXCITYSW-GOSISDBHSA-N 1 1 316.445 3.618 20 30 DHEDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CC(C)(C)CCC#N ZINC000093611436 1032548146 /nfs/dbraw/zinc/54/81/46/1032548146.db2.gz PGEVHWSEOQAGEA-GOSISDBHSA-N 1 1 313.489 3.913 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171391010 1032574106 /nfs/dbraw/zinc/57/41/06/1032574106.db2.gz ZICWBQQWRAPRQG-KSYCFECVSA-N 1 1 302.368 3.589 20 30 DHEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2csc(COc3ccccc3)n2)C1 ZINC000424193675 1011940915 /nfs/dbraw/zinc/94/09/15/1011940915.db2.gz KTTVSFGPQQNPCI-KGLIPLIRSA-N 1 1 313.426 3.504 20 30 DHEDMO C=CCCCCCCCCC[N@@H+]1CCn2c(CC)nnc2C1 ZINC001207899449 1011944226 /nfs/dbraw/zinc/94/42/26/1011944226.db2.gz AJQWCNAPZDTZNZ-UHFFFAOYSA-N 1 1 304.482 3.963 20 30 DHEDMO C=CCCCCCCCCC[N@H+]1CCn2c(CC)nnc2C1 ZINC001207899449 1011944240 /nfs/dbraw/zinc/94/42/40/1011944240.db2.gz AJQWCNAPZDTZNZ-UHFFFAOYSA-N 1 1 304.482 3.963 20 30 DHEDMO C=CCn1cc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)nn1 ZINC000424295429 1011960146 /nfs/dbraw/zinc/96/01/46/1011960146.db2.gz MSHJXUKTLRPGJZ-GOSISDBHSA-N 1 1 314.408 3.624 20 30 DHEDMO C=C(C)C(C)(C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000424599201 1012055462 /nfs/dbraw/zinc/05/54/62/1012055462.db2.gz WAYUZCNDYWTLSA-UHFFFAOYSA-N 1 1 302.462 3.745 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000424607313 1012060182 /nfs/dbraw/zinc/06/01/82/1012060182.db2.gz KQMFNKBIHKSDHD-WBVHZDCISA-N 1 1 300.446 3.540 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000424705098 1012110109 /nfs/dbraw/zinc/11/01/09/1012110109.db2.gz XYAXLBLTDXMAKZ-KRWDZBQOSA-N 1 1 314.473 3.712 20 30 DHEDMO CC[N@@H+](CCCO[C@@H]1CCCCO1)[C@H](C)c1ccc(C#N)cc1 ZINC000513897392 1012215968 /nfs/dbraw/zinc/21/59/68/1012215968.db2.gz PXSZLDRKMSCVRL-VQIMIIECSA-N 1 1 316.445 3.874 20 30 DHEDMO C=CC[C@@H](Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2)C(=O)OC ZINC000887309149 1032615799 /nfs/dbraw/zinc/61/57/99/1032615799.db2.gz OAPFBCUNLILRKK-RDTXWAMCSA-N 1 1 316.445 3.576 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000323417137 1032623915 /nfs/dbraw/zinc/62/39/15/1032623915.db2.gz NPYHMSDFTCHZEU-INIZCTEOSA-N 1 1 308.425 3.938 20 30 DHEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)ccc1C#N ZINC000425364121 1012493738 /nfs/dbraw/zinc/49/37/38/1012493738.db2.gz FJJSHXSTEJOTET-AWEZNQCLSA-N 1 1 305.381 3.632 20 30 DHEDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000425368378 1012499515 /nfs/dbraw/zinc/49/95/15/1012499515.db2.gz WKWQNRUGXDPGJN-HNNXBMFYSA-N 1 1 308.429 3.602 20 30 DHEDMO C=CC[C@@H](C)C(=O)N1CC2(CC[N@@H+]2C[C@H](CC)CCCC)C1 ZINC001269960083 1012520495 /nfs/dbraw/zinc/52/04/95/1012520495.db2.gz LVPKHWCVDVIIDC-IAGOWNOFSA-N 1 1 306.494 3.702 20 30 DHEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000187693002 1012699929 /nfs/dbraw/zinc/69/99/29/1012699929.db2.gz HCDMGMFQGIQQKH-CRAIPNDOSA-N 1 1 320.502 3.679 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000425530394 1012728488 /nfs/dbraw/zinc/72/84/88/1012728488.db2.gz FFEJPKLKCHUXEN-OAHLLOKOSA-N 1 1 305.381 3.502 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000425531717 1012732786 /nfs/dbraw/zinc/73/27/86/1012732786.db2.gz MPQIJRFXCZOGBG-WMZOPIPTSA-N 1 1 314.473 3.616 20 30 DHEDMO CC(=O)Nc1cccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425531233 1012733007 /nfs/dbraw/zinc/73/30/07/1012733007.db2.gz HAUWLVAQLVQNHS-AWEZNQCLSA-N 1 1 307.397 3.710 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425538140 1012736678 /nfs/dbraw/zinc/73/66/78/1012736678.db2.gz ROTYTJMDABHJRG-AWEZNQCLSA-N 1 1 305.381 3.632 20 30 DHEDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000535616071 1012812040 /nfs/dbraw/zinc/81/20/40/1012812040.db2.gz HWTBFRJMPABOCB-INIZCTEOSA-N 1 1 308.425 3.877 20 30 DHEDMO CCC(CC)[N@@H+](CC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000579878491 1012880894 /nfs/dbraw/zinc/88/08/94/1012880894.db2.gz IGHRBQKZHQTPQE-UHFFFAOYSA-N 1 1 307.825 3.661 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)cc(C)n1 ZINC000339839929 1012922851 /nfs/dbraw/zinc/92/28/51/1012922851.db2.gz BLAUFLQQYVSLNO-UHFFFAOYSA-N 1 1 309.413 3.683 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000475317708 1017141151 /nfs/dbraw/zinc/14/11/51/1017141151.db2.gz OYDWZQMDUQGMIW-AWEZNQCLSA-N 1 1 313.228 3.607 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000475317708 1017141153 /nfs/dbraw/zinc/14/11/53/1017141153.db2.gz OYDWZQMDUQGMIW-AWEZNQCLSA-N 1 1 313.228 3.607 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccn(CC)n2)cc1 ZINC000840837659 1017145657 /nfs/dbraw/zinc/14/56/57/1017145657.db2.gz KQFHVXIIIGAGGP-CQSZACIVSA-N 1 1 319.836 3.885 20 30 DHEDMO CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518593 1017156460 /nfs/dbraw/zinc/15/64/60/1017156460.db2.gz VNOKBODMDAFJOA-HNNXBMFYSA-N 1 1 321.424 3.580 20 30 DHEDMO CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518593 1017156464 /nfs/dbraw/zinc/15/64/64/1017156464.db2.gz VNOKBODMDAFJOA-HNNXBMFYSA-N 1 1 321.424 3.580 20 30 DHEDMO N#Cc1cccc(C[N@H+](Cc2cccs2)[C@H]2C=C[C@@H](CO)C2)c1 ZINC000347335960 1017497389 /nfs/dbraw/zinc/49/73/89/1017497389.db2.gz KCIIJFCVBPGHGH-MSOLQXFVSA-N 1 1 324.449 3.559 20 30 DHEDMO CC(C)[Si](C=C=Nc1nccnc1C[NH3+])(C(C)C)C(C)C ZINC001171450553 1032708137 /nfs/dbraw/zinc/70/81/37/1032708137.db2.gz UHLARBXAQSKPFA-UHFFFAOYSA-N 1 1 304.514 3.526 20 30 DHEDMO C=CCC[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccco1 ZINC000624053642 1017660468 /nfs/dbraw/zinc/66/04/68/1017660468.db2.gz LEFMMUZGBGUSJD-GFCCVEGCSA-N 1 1 313.323 3.829 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2nc(CC(F)(F)F)no2)CCCC1(C)C ZINC000444774278 1017671617 /nfs/dbraw/zinc/67/16/17/1017671617.db2.gz IGFSMVCNZQNMRZ-NSHDSACASA-N 1 1 317.355 3.741 20 30 DHEDMO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000625701497 1017778779 /nfs/dbraw/zinc/77/87/79/1017778779.db2.gz SBHSCBKBLZPELX-NSHDSACASA-N 1 1 313.228 3.830 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000625701497 1017778808 /nfs/dbraw/zinc/77/88/08/1017778808.db2.gz SBHSCBKBLZPELX-NSHDSACASA-N 1 1 313.228 3.830 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2c(CC)cccc2CC)C1 ZINC000625703608 1017781677 /nfs/dbraw/zinc/78/16/77/1017781677.db2.gz NQAMKDSOWYXXTP-OAHLLOKOSA-N 1 1 300.446 3.648 20 30 DHEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000625701444 1017781840 /nfs/dbraw/zinc/78/18/40/1017781840.db2.gz JPPNOFKWFQGJSV-QFBILLFUSA-N 1 1 301.430 3.642 20 30 DHEDMO N#CCCCC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000114200809 1017881197 /nfs/dbraw/zinc/88/11/97/1017881197.db2.gz SGIKCQXMKLSPHA-KRWDZBQOSA-N 1 1 308.429 3.950 20 30 DHEDMO CCOc1cccc2cc([C@H](C)[NH2+]C[C@H](C#N)CCC#N)oc21 ZINC000182651080 1017938488 /nfs/dbraw/zinc/93/84/88/1017938488.db2.gz AIXKLKZIFQQVSP-KBPBESRZSA-N 1 1 311.385 3.926 20 30 DHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC2(CCCC2)C1 ZINC000445872991 1018000602 /nfs/dbraw/zinc/00/06/02/1018000602.db2.gz BDKUEIWQFPNVFC-OAHLLOKOSA-N 1 1 311.429 3.541 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000324302240 1018001827 /nfs/dbraw/zinc/00/18/27/1018001827.db2.gz POXKYDFNHDVTJZ-AWEZNQCLSA-N 1 1 312.388 3.769 20 30 DHEDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000183679364 1018036700 /nfs/dbraw/zinc/03/67/00/1018036700.db2.gz RUXWBCXLRJJGCD-MRXNPFEDSA-N 1 1 309.413 3.957 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000524906517 1018125702 /nfs/dbraw/zinc/12/57/02/1018125702.db2.gz LKQKBTKDNOWROF-MRXNPFEDSA-N 1 1 324.424 3.947 20 30 DHEDMO CC[C@](C)([NH2+]CC#Cc1ccc(F)cc1)c1nc(C)cs1 ZINC000126745324 1032747215 /nfs/dbraw/zinc/74/72/15/1032747215.db2.gz DYXHNXFCGBOJTP-KRWDZBQOSA-N 1 1 302.418 3.857 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Br)C1 ZINC001137526384 1018205325 /nfs/dbraw/zinc/20/53/25/1018205325.db2.gz LQJIFFLCGOIUNR-LLVKDONJSA-N 1 1 312.638 3.948 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2Br)C1 ZINC001137526384 1018205335 /nfs/dbraw/zinc/20/53/35/1018205335.db2.gz LQJIFFLCGOIUNR-LLVKDONJSA-N 1 1 312.638 3.948 20 30 DHEDMO C=CCC1(NC(=O)NCCCCn2cc[nH+]c2C)CCCCC1 ZINC000458438600 1018207005 /nfs/dbraw/zinc/20/70/05/1018207005.db2.gz SSJAQYCXWXRBLH-UHFFFAOYSA-N 1 1 318.465 3.550 20 30 DHEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171541106 1032752684 /nfs/dbraw/zinc/75/26/84/1032752684.db2.gz FLRSNHHOHWQSNK-DGCLKSJQSA-N 1 1 308.347 3.587 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000155134143 1018243110 /nfs/dbraw/zinc/24/31/10/1018243110.db2.gz OOMMYVLCAZBIAU-GFCCVEGCSA-N 1 1 314.351 3.930 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000525634421 1018340946 /nfs/dbraw/zinc/34/09/46/1018340946.db2.gz SSFCNUYRLSOXPD-SFHVURJKSA-N 1 1 306.409 3.502 20 30 DHEDMO C#CC[N@H+](Cc1cc(C)c(OCc2ccccn2)c(C)c1)C1CC1 ZINC000764675766 1018345898 /nfs/dbraw/zinc/34/58/98/1018345898.db2.gz AAMUBEITNWFYNM-UHFFFAOYSA-N 1 1 320.436 3.875 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000173980743 1018375506 /nfs/dbraw/zinc/37/55/06/1018375506.db2.gz NVXKAHAVDLBEDH-GOSISDBHSA-N 1 1 324.399 3.736 20 30 DHEDMO CC(C)[N@@H+](CCc1ccc2c(c1)CCO2)Cc1ccc(C#N)cc1 ZINC000441274650 1018405468 /nfs/dbraw/zinc/40/54/68/1018405468.db2.gz CFWJOOIRUHQZNL-UHFFFAOYSA-N 1 1 320.436 3.946 20 30 DHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000246440645 1018468509 /nfs/dbraw/zinc/46/85/09/1018468509.db2.gz LYCJBKPZLBXKES-UYAOXDASSA-N 1 1 324.424 3.595 20 30 DHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000246440645 1018468519 /nfs/dbraw/zinc/46/85/19/1018468519.db2.gz LYCJBKPZLBXKES-UYAOXDASSA-N 1 1 324.424 3.595 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000675502491 1018514279 /nfs/dbraw/zinc/51/42/79/1018514279.db2.gz RPYDDUVTKHGZGR-CZUORRHYSA-N 1 1 324.262 3.913 20 30 DHEDMO CC#CCC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000156784098 1018525826 /nfs/dbraw/zinc/52/58/26/1018525826.db2.gz BBGCWAYDFTVECK-NSHDSACASA-N 1 1 302.365 3.755 20 30 DHEDMO C=CCCCCC[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000583523118 1018529164 /nfs/dbraw/zinc/52/91/64/1018529164.db2.gz MWPXWMOBWQIUFL-LJQANCHMSA-N 1 1 305.437 3.799 20 30 DHEDMO C=C[C@@H](CC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000245617672 1018565682 /nfs/dbraw/zinc/56/56/82/1018565682.db2.gz DHSWFCPEJKENGE-MSOLQXFVSA-N 1 1 314.473 3.583 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc3n(n2)CCCC3)cc1 ZINC000647303986 1018630193 /nfs/dbraw/zinc/63/01/93/1018630193.db2.gz SGNIKWZDCIZXIL-HNNXBMFYSA-N 1 1 311.429 3.635 20 30 DHEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000926524371 1018659036 /nfs/dbraw/zinc/65/90/36/1018659036.db2.gz DUKKQVIPJUMZNI-AXTRIDKLSA-N 1 1 320.742 3.748 20 30 DHEDMO C=C(Br)C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000157569634 1018659907 /nfs/dbraw/zinc/65/99/07/1018659907.db2.gz HROJULMKVBLIPY-GFCCVEGCSA-N 1 1 321.218 3.916 20 30 DHEDMO C=C(Br)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000157569634 1018659916 /nfs/dbraw/zinc/65/99/16/1018659916.db2.gz HROJULMKVBLIPY-GFCCVEGCSA-N 1 1 321.218 3.916 20 30 DHEDMO C=C(Br)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000157569501 1018660505 /nfs/dbraw/zinc/66/05/05/1018660505.db2.gz HROJULMKVBLIPY-LBPRGKRZSA-N 1 1 321.218 3.916 20 30 DHEDMO C=C(Br)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000157569501 1018660510 /nfs/dbraw/zinc/66/05/10/1018660510.db2.gz HROJULMKVBLIPY-LBPRGKRZSA-N 1 1 321.218 3.916 20 30 DHEDMO CCCC[N@@H+](C)CC1CCN(c2cccc(F)c2C#N)CC1 ZINC000060355837 1018756639 /nfs/dbraw/zinc/75/66/39/1018756639.db2.gz ARSOPZFEOIDSCH-UHFFFAOYSA-N 1 1 303.425 3.646 20 30 DHEDMO CC[N@@H+](CCC(C)(C)C#N)CC1CCN(c2ccccn2)CC1 ZINC000131739600 1018757179 /nfs/dbraw/zinc/75/71/79/1018757179.db2.gz SSFXMQXSWOIXBE-UHFFFAOYSA-N 1 1 314.477 3.560 20 30 DHEDMO CCC[N@@H+](CCC#N)[C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168661683 1018760145 /nfs/dbraw/zinc/76/01/45/1018760145.db2.gz LELAZNQDAVMTJZ-WMZOPIPTSA-N 1 1 302.418 3.541 20 30 DHEDMO COc1ccc(OC(F)F)c(C[NH2+]Cc2csc(C#N)c2)c1 ZINC000921835010 1018927436 /nfs/dbraw/zinc/92/74/36/1018927436.db2.gz LEGLPFXIGZMCIS-UHFFFAOYSA-N 1 1 324.352 3.520 20 30 DHEDMO C=CC[N@H+](C)Cc1cn(-c2cccc(Br)c2)nc1C ZINC000656256598 1018987246 /nfs/dbraw/zinc/98/72/46/1018987246.db2.gz WQTDLYZIOIQURH-UHFFFAOYSA-N 1 1 320.234 3.561 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)NCC[N@@H+](C)C(C)C)cc1 ZINC000765625329 1019012635 /nfs/dbraw/zinc/01/26/35/1019012635.db2.gz WWKAJLAEWUCVHT-HNNXBMFYSA-N 1 1 310.869 3.809 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)NCC[N@H+](C)C(C)C)cc1 ZINC000765625329 1019012648 /nfs/dbraw/zinc/01/26/48/1019012648.db2.gz WWKAJLAEWUCVHT-HNNXBMFYSA-N 1 1 310.869 3.809 20 30 DHEDMO CC[C@H]([NH2+]Cc1csc([C@@H](C)OC)n1)c1ccc(C#N)cc1 ZINC000278686135 1019041393 /nfs/dbraw/zinc/04/13/93/1019041393.db2.gz KDTYZXVZIMVXFS-WBMJQRKESA-N 1 1 315.442 3.963 20 30 DHEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075767269 1019047928 /nfs/dbraw/zinc/04/79/28/1019047928.db2.gz ZRORHCMIKWQIPN-ZIAGYGMSSA-N 1 1 310.401 3.619 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248610077 1019062452 /nfs/dbraw/zinc/06/24/52/1019062452.db2.gz FOWVKFIJUUMWFN-MSOLQXFVSA-N 1 1 314.473 3.712 20 30 DHEDMO C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000130768558 1019073512 /nfs/dbraw/zinc/07/35/12/1019073512.db2.gz IGLBGLSVINFXAM-UHFFFAOYSA-N 1 1 320.371 3.719 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2C)c(OC)c1 ZINC000186164244 1019195357 /nfs/dbraw/zinc/19/53/57/1019195357.db2.gz NULDITKPEWRCAH-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO C=CCCC[N@H+](C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000077318156 1019282736 /nfs/dbraw/zinc/28/27/36/1019282736.db2.gz ZMJBWVBBFIZSNG-UHFFFAOYSA-N 1 1 305.809 3.831 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1c2c(nn1C)CCC2)c1ccc(F)c(F)c1 ZINC000922013046 1019302028 /nfs/dbraw/zinc/30/20/28/1019302028.db2.gz XGDVEYURQPNLDE-GOSISDBHSA-N 1 1 317.383 3.594 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1cnn(CCF)c1)c1ccc(F)c(F)c1 ZINC000922012880 1019302199 /nfs/dbraw/zinc/30/21/99/1019302199.db2.gz YRNHEXDVCVHDEJ-INIZCTEOSA-N 1 1 309.335 3.538 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000265651706 1019332848 /nfs/dbraw/zinc/33/28/48/1019332848.db2.gz NRHCOPGECMVXLJ-QGZVFWFLSA-N 1 1 322.408 3.587 20 30 DHEDMO Cc1ccccc1[C@@H]([C@H](C)NCc1csc(C#N)c1)[NH+](C)C ZINC000922040671 1019358802 /nfs/dbraw/zinc/35/88/02/1019358802.db2.gz NUZYPKRHYUJVQC-KBXCAEBGSA-N 1 1 313.470 3.709 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000611235821 1019417065 /nfs/dbraw/zinc/41/70/65/1019417065.db2.gz RWFAIEDKNKCAIN-ZDUSSCGKSA-N 1 1 310.372 3.825 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000611235821 1019417070 /nfs/dbraw/zinc/41/70/70/1019417070.db2.gz RWFAIEDKNKCAIN-ZDUSSCGKSA-N 1 1 310.372 3.825 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1C#N ZINC000611345978 1019453797 /nfs/dbraw/zinc/45/37/97/1019453797.db2.gz BOLRQLUKLIOXKA-HNNXBMFYSA-N 1 1 310.445 3.919 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@@H](C)C(C)(C)C)c1C#N ZINC000611345978 1019453805 /nfs/dbraw/zinc/45/38/05/1019453805.db2.gz BOLRQLUKLIOXKA-HNNXBMFYSA-N 1 1 310.445 3.919 20 30 DHEDMO CC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)[C@H](C)C(C)C ZINC000611346181 1019454046 /nfs/dbraw/zinc/45/40/46/1019454046.db2.gz FTTLRYREHBMQNP-MRXNPFEDSA-N 1 1 310.445 3.919 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H](C)CC[C@H]2C)c1C#N ZINC000611347995 1019456513 /nfs/dbraw/zinc/45/65/13/1019456513.db2.gz MOSGFCBQLWHUHD-LSDHHAIUSA-N 1 1 308.429 3.673 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H](C)CC[C@H]2C)c1C#N ZINC000611347995 1019456523 /nfs/dbraw/zinc/45/65/23/1019456523.db2.gz MOSGFCBQLWHUHD-LSDHHAIUSA-N 1 1 308.429 3.673 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@H](C)CC[C@H]2C)c1C#N ZINC000611347994 1019457521 /nfs/dbraw/zinc/45/75/21/1019457521.db2.gz MOSGFCBQLWHUHD-HUUCEWRRSA-N 1 1 308.429 3.673 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@H](C)CC[C@H]2C)c1C#N ZINC000611347994 1019457531 /nfs/dbraw/zinc/45/75/31/1019457531.db2.gz MOSGFCBQLWHUHD-HUUCEWRRSA-N 1 1 308.429 3.673 20 30 DHEDMO CCn1c(C[NH2+][C@H](C)c2cccc(C#N)c2)nc2cc(F)ccc21 ZINC000611387050 1019462778 /nfs/dbraw/zinc/46/27/78/1019462778.db2.gz DRXCZZPYCOTGEE-CYBMUJFWSA-N 1 1 322.387 3.918 20 30 DHEDMO C[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000611390577 1019466305 /nfs/dbraw/zinc/46/63/05/1019466305.db2.gz IUEFAAYRNHBJEU-JXXFODFXSA-N 1 1 311.473 3.646 20 30 DHEDMO C[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000611390577 1019466313 /nfs/dbraw/zinc/46/63/13/1019466313.db2.gz IUEFAAYRNHBJEU-JXXFODFXSA-N 1 1 311.473 3.646 20 30 DHEDMO CCC[N@H+](Cc1nc2c(s1)CCC2)Cc1ccc(C#N)cc1 ZINC000611410625 1019477259 /nfs/dbraw/zinc/47/72/59/1019477259.db2.gz HXRYFGQFTOAXTC-UHFFFAOYSA-N 1 1 311.454 3.916 20 30 DHEDMO CCC[N@@H+](Cc1nc2c(s1)CCC2)Cc1ccc(C#N)cc1 ZINC000611410625 1019477265 /nfs/dbraw/zinc/47/72/65/1019477265.db2.gz HXRYFGQFTOAXTC-UHFFFAOYSA-N 1 1 311.454 3.916 20 30 DHEDMO CC(C)(C#N)CC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000611462577 1019490964 /nfs/dbraw/zinc/49/09/64/1019490964.db2.gz SHJUVMMIACKKKX-AOOOYVTPSA-N 1 1 316.289 3.989 20 30 DHEDMO Cn1c[nH+]c2cc(N[C@H]3CCCc4cc(C#N)ccc43)ccc21 ZINC000611483216 1019500906 /nfs/dbraw/zinc/50/09/06/1019500906.db2.gz LQDOQAYYZHHJHQ-KRWDZBQOSA-N 1 1 302.381 3.934 20 30 DHEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CC=CCC3)c2)c1 ZINC000611521156 1019507946 /nfs/dbraw/zinc/50/79/46/1019507946.db2.gz JIWWQXRGMDFGBG-UHFFFAOYSA-N 1 1 304.393 3.899 20 30 DHEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCOc1ccccc1C#N ZINC000611555311 1019514275 /nfs/dbraw/zinc/51/42/75/1019514275.db2.gz WJYRTIPHTBLAJL-TZMCWYRMSA-N 1 1 312.335 3.600 20 30 DHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000611554240 1019514296 /nfs/dbraw/zinc/51/42/96/1019514296.db2.gz JGMOWDNNCHFZFS-OCCSQVGLSA-N 1 1 321.346 3.974 20 30 DHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cn2ccccc2c1C#N ZINC000611554240 1019514299 /nfs/dbraw/zinc/51/42/99/1019514299.db2.gz JGMOWDNNCHFZFS-OCCSQVGLSA-N 1 1 321.346 3.974 20 30 DHEDMO N#CCCCC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000611526983 1019515670 /nfs/dbraw/zinc/51/56/70/1019515670.db2.gz CALUHQVLZOPRBZ-UHFFFAOYSA-N 1 1 300.402 3.854 20 30 DHEDMO C=C(C)CNC(=S)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000727704738 1019765036 /nfs/dbraw/zinc/76/50/36/1019765036.db2.gz JORXKJUVZILNJU-AWEZNQCLSA-N 1 1 317.502 3.909 20 30 DHEDMO CC[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000108365805 1019765625 /nfs/dbraw/zinc/76/56/25/1019765625.db2.gz JGBVQINBYGYAIB-KBPBESRZSA-N 1 1 319.474 3.607 20 30 DHEDMO CC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000108365801 1019765788 /nfs/dbraw/zinc/76/57/88/1019765788.db2.gz JGBVQINBYGYAIB-UONOGXRCSA-N 1 1 319.474 3.607 20 30 DHEDMO C[C@H]1C[C@@H](NCc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000080338973 1019858600 /nfs/dbraw/zinc/85/86/00/1019858600.db2.gz LPGZSQCHBMLRLK-UWJYYQICSA-N 1 1 319.452 3.701 20 30 DHEDMO C[C@H]1C[C@@H](NCc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000080338973 1019858615 /nfs/dbraw/zinc/85/86/15/1019858615.db2.gz LPGZSQCHBMLRLK-UWJYYQICSA-N 1 1 319.452 3.701 20 30 DHEDMO CC[C@@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000068450310 1019898309 /nfs/dbraw/zinc/89/83/09/1019898309.db2.gz LHJQHQKEZIXIED-GFCCVEGCSA-N 1 1 319.474 3.557 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(C)cc1 ZINC000109356720 1019917703 /nfs/dbraw/zinc/91/77/03/1019917703.db2.gz MTASTVRTSRHOBF-UHFFFAOYSA-N 1 1 308.425 3.664 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc(C)cc1 ZINC000109356720 1019917707 /nfs/dbraw/zinc/91/77/07/1019917707.db2.gz MTASTVRTSRHOBF-UHFFFAOYSA-N 1 1 308.425 3.664 20 30 DHEDMO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccccc1Cl ZINC000069244812 1019963006 /nfs/dbraw/zinc/96/30/06/1019963006.db2.gz CZNADJPZJBXRBX-SNVBAGLBSA-N 1 1 319.817 3.562 20 30 DHEDMO CCC[N@@H+](CCCOc1ccc(C#N)cc1)C[C@@H]1CCCCO1 ZINC000730261277 1019968707 /nfs/dbraw/zinc/96/87/07/1019968707.db2.gz GJQFPNOJCWWYSC-IBGZPJMESA-N 1 1 316.445 3.608 20 30 DHEDMO N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000317598152 1019994036 /nfs/dbraw/zinc/99/40/36/1019994036.db2.gz RMWBEELVEAXHCD-UONOGXRCSA-N 1 1 309.335 3.616 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000154219643 1020054723 /nfs/dbraw/zinc/05/47/23/1020054723.db2.gz AWIQZQKLBQTTSW-SFHVURJKSA-N 1 1 309.413 3.633 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000154219643 1020054733 /nfs/dbraw/zinc/05/47/33/1020054733.db2.gz AWIQZQKLBQTTSW-SFHVURJKSA-N 1 1 309.413 3.633 20 30 DHEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000731212281 1020081515 /nfs/dbraw/zinc/08/15/15/1020081515.db2.gz CQIZFIGQCHISAG-UZLBHIALSA-N 1 1 322.408 3.551 20 30 DHEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000731212281 1020081522 /nfs/dbraw/zinc/08/15/22/1020081522.db2.gz CQIZFIGQCHISAG-UZLBHIALSA-N 1 1 322.408 3.551 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000731213238 1020082228 /nfs/dbraw/zinc/08/22/28/1020082228.db2.gz YFONRUAKEJIUHW-FQEVSTJZSA-N 1 1 322.408 3.553 20 30 DHEDMO N#Cc1cccc(C[NH2+]Cc2ncc(-c3ccccc3)s2)c1 ZINC000092368986 1020084223 /nfs/dbraw/zinc/08/42/23/1020084223.db2.gz RVSLXJHBELJTEI-UHFFFAOYSA-N 1 1 305.406 3.972 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccccc3Cl)CC2)o1 ZINC000155110091 1020191808 /nfs/dbraw/zinc/19/18/08/1020191808.db2.gz GDWSECAGPKOPFI-UHFFFAOYSA-N 1 1 316.788 3.848 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)[C@@H](C#N)c2ccccn2)cc1)C(C)C ZINC000347740435 1020276539 /nfs/dbraw/zinc/27/65/39/1020276539.db2.gz BPVMNVRZVFTZKO-SFHVURJKSA-N 1 1 321.424 3.802 20 30 DHEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000125338539 1020291982 /nfs/dbraw/zinc/29/19/82/1020291982.db2.gz IJYFPJDBAAPBSY-OAHLLOKOSA-N 1 1 319.408 3.580 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc2nsnc21 ZINC000766001165 1020297405 /nfs/dbraw/zinc/29/74/05/1020297405.db2.gz KYFONCMRYQFNRE-UHFFFAOYSA-N 1 1 301.440 3.941 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1 ZINC000667029000 1032890248 /nfs/dbraw/zinc/89/02/48/1032890248.db2.gz MPXPNQVWXJZDCT-QGZVFWFLSA-N 1 1 315.461 3.753 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnn(CC(F)(F)F)c1 ZINC000352755085 1020320170 /nfs/dbraw/zinc/32/01/70/1020320170.db2.gz KUQARKGCRCYUJT-UHFFFAOYSA-N 1 1 323.362 3.676 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000667029383 1032893079 /nfs/dbraw/zinc/89/30/79/1032893079.db2.gz ZIAMSUZVOIUYMY-MRXNPFEDSA-N 1 1 315.461 3.800 20 30 DHEDMO CCOc1cccc(C[N@@H+](CCOC)Cc2ccc(C#N)cc2)c1 ZINC000125738856 1020344589 /nfs/dbraw/zinc/34/45/89/1020344589.db2.gz CLOPLFCMXJZQPO-UHFFFAOYSA-N 1 1 324.424 3.606 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000125760108 1020344799 /nfs/dbraw/zinc/34/47/99/1020344799.db2.gz DXMSWSVWKJWCLL-OAHLLOKOSA-N 1 1 322.408 3.928 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)OC)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125770998 1020346245 /nfs/dbraw/zinc/34/62/45/1020346245.db2.gz OFVWYEYADSIETG-ZDUSSCGKSA-N 1 1 312.369 3.521 20 30 DHEDMO C=CCCC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000338673491 1020373628 /nfs/dbraw/zinc/37/36/28/1020373628.db2.gz XWVKCEWWGYQLCZ-MRXNPFEDSA-N 1 1 300.446 3.501 20 30 DHEDMO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(C)(C)C#N)C2)s1 ZINC000569727293 1020451545 /nfs/dbraw/zinc/45/15/45/1020451545.db2.gz PTIGPZXGZCBEBV-MRXNPFEDSA-N 1 1 319.518 3.750 20 30 DHEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(C)(C)C#N)C2)s1 ZINC000569727293 1020451550 /nfs/dbraw/zinc/45/15/50/1020451550.db2.gz PTIGPZXGZCBEBV-MRXNPFEDSA-N 1 1 319.518 3.750 20 30 DHEDMO Cc1ccc(CN2CC[C@H](C[N@H+](C)CCC(C)(C)C#N)C2)s1 ZINC000569727293 1020451554 /nfs/dbraw/zinc/45/15/54/1020451554.db2.gz PTIGPZXGZCBEBV-MRXNPFEDSA-N 1 1 319.518 3.750 20 30 DHEDMO Cc1ccc(CN2CC[C@H](C[N@@H+](C)CCC(C)(C)C#N)C2)s1 ZINC000569727293 1020451560 /nfs/dbraw/zinc/45/15/60/1020451560.db2.gz PTIGPZXGZCBEBV-MRXNPFEDSA-N 1 1 319.518 3.750 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cccc4c[nH]nc43)CC2)cc1 ZINC000355356822 1020473504 /nfs/dbraw/zinc/47/35/04/1020473504.db2.gz SHXRHJOIYZMRHS-UHFFFAOYSA-N 1 1 314.392 3.724 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429141968 1020507174 /nfs/dbraw/zinc/50/71/74/1020507174.db2.gz MIMVMBHLTWUWTL-HOCLYGCPSA-N 1 1 311.878 3.834 20 30 DHEDMO C[C@H]1CCN(c2ccc(F)cc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000301422561 1020511907 /nfs/dbraw/zinc/51/19/07/1020511907.db2.gz FNCRDSFTSYTNRE-INIZCTEOSA-N 1 1 323.415 3.798 20 30 DHEDMO Cc1ccc(C#N)c(NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)n1 ZINC000302398783 1020537812 /nfs/dbraw/zinc/53/78/12/1020537812.db2.gz JMPXCOAOWVHNKA-FQEVSTJZSA-N 1 1 320.440 3.728 20 30 DHEDMO Cc1cc(C)nc(N=NC2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000734296097 1020581660 /nfs/dbraw/zinc/58/16/60/1020581660.db2.gz NIXOFSZAFUTLGE-MRXNPFEDSA-N 1 1 323.444 3.546 20 30 DHEDMO CCC(CC)C[N@@H+](CC)CCC(=O)Nc1sccc1C#N ZINC000109015015 1020585020 /nfs/dbraw/zinc/58/50/20/1020585020.db2.gz LZWYEURVHJQBBQ-UHFFFAOYSA-N 1 1 307.463 3.706 20 30 DHEDMO CC[C@H](C)[C@H](C)[N@@H+](CCC(=O)Nc1sccc1C#N)C1CC1 ZINC000109025710 1020585486 /nfs/dbraw/zinc/58/54/86/1020585486.db2.gz DMHVKAMZOCSRJR-STQMWFEESA-N 1 1 319.474 3.847 20 30 DHEDMO COc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(C#N)s2)c1 ZINC000152770999 1020592140 /nfs/dbraw/zinc/59/21/40/1020592140.db2.gz KWZONZOMJUVXKF-UHFFFAOYSA-N 1 1 324.352 3.520 20 30 DHEDMO Clc1ccccc1C[NH+]1CCC(=NO[C@@H]2CCCCO2)CC1 ZINC000755820593 1020609100 /nfs/dbraw/zinc/60/91/00/1020609100.db2.gz XABMZHBUAOULGK-QGZVFWFLSA-N 1 1 322.836 3.835 20 30 DHEDMO CC(C)(C#N)C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000612585218 1020632112 /nfs/dbraw/zinc/63/21/12/1020632112.db2.gz RRLMSLQPSGKHOG-UHFFFAOYSA-N 1 1 319.408 3.777 20 30 DHEDMO N#Cc1c(F)cc(C[NH+]2CCC3(CC(F)(F)C3)CC2)cc1F ZINC001140751627 1020635724 /nfs/dbraw/zinc/63/57/24/1020635724.db2.gz ABHRIICLUDCWTL-UHFFFAOYSA-N 1 1 312.310 3.848 20 30 DHEDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000365469138 1020636481 /nfs/dbraw/zinc/63/64/81/1020636481.db2.gz VWMJKVQGXAUWLN-GFCCVEGCSA-N 1 1 310.800 3.599 20 30 DHEDMO C=CC[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)C(C)C ZINC000735491063 1020738904 /nfs/dbraw/zinc/73/89/04/1020738904.db2.gz BZVVWRZCEDNDRF-IBGZPJMESA-N 1 1 320.285 3.997 20 30 DHEDMO Cc1cccc(N=NC(C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000735609270 1020751692 /nfs/dbraw/zinc/75/16/92/1020751692.db2.gz RHASQSGTMWZXDF-FQEVSTJZSA-N 1 1 323.440 3.684 20 30 DHEDMO Cc1cccc(N=NC(C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000735609270 1020751700 /nfs/dbraw/zinc/75/17/00/1020751700.db2.gz RHASQSGTMWZXDF-FQEVSTJZSA-N 1 1 323.440 3.684 20 30 DHEDMO Cc1ccc(N=NC(C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000735608630 1020751824 /nfs/dbraw/zinc/75/18/24/1020751824.db2.gz CXIACSNMSGZVTK-FQEVSTJZSA-N 1 1 323.440 3.684 20 30 DHEDMO Cc1ccc(N=NC(C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000735608630 1020751831 /nfs/dbraw/zinc/75/18/31/1020751831.db2.gz CXIACSNMSGZVTK-FQEVSTJZSA-N 1 1 323.440 3.684 20 30 DHEDMO C=CCCCC(=O)O[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000755876409 1020753707 /nfs/dbraw/zinc/75/37/07/1020753707.db2.gz AZDULCOAZOGWHE-WMZOPIPTSA-N 1 1 301.430 3.797 20 30 DHEDMO C=CCCC(=O)OC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000735898302 1020777179 /nfs/dbraw/zinc/77/71/79/1020777179.db2.gz GLUKVFRFSXLCLP-VQIMIIECSA-N 1 1 317.429 3.588 20 30 DHEDMO C=CCCC[N@@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000736589170 1020823088 /nfs/dbraw/zinc/82/30/88/1020823088.db2.gz CGWHHCVTKUXKAI-UHFFFAOYSA-N 1 1 307.375 3.727 20 30 DHEDMO C=CCCC[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000736589170 1020823095 /nfs/dbraw/zinc/82/30/95/1020823095.db2.gz CGWHHCVTKUXKAI-UHFFFAOYSA-N 1 1 307.375 3.727 20 30 DHEDMO CCCCCCCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001267544385 1020835189 /nfs/dbraw/zinc/83/51/89/1020835189.db2.gz XRQIFDHYDHNNBL-HKUYNNGSSA-N 1 1 316.489 3.984 20 30 DHEDMO C=CCCCCC[N@H+](C)CN1C[C@H](c2ccccc2C)CC1=O ZINC000739885292 1020919838 /nfs/dbraw/zinc/91/98/38/1020919838.db2.gz OTUQPFSKVAPLES-GOSISDBHSA-N 1 1 314.473 3.947 20 30 DHEDMO CC(C)(C)OC(=O)C1CCC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001171930291 1032941143 /nfs/dbraw/zinc/94/11/43/1032941143.db2.gz PGFBJIPHICWXRU-XVQVNSHCSA-N 1 1 318.461 3.653 20 30 DHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000739915156 1020924265 /nfs/dbraw/zinc/92/42/65/1020924265.db2.gz OGUJVMQBEAMTBU-QUCCMNQESA-N 1 1 324.424 3.595 20 30 DHEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000739915156 1020924268 /nfs/dbraw/zinc/92/42/68/1020924268.db2.gz OGUJVMQBEAMTBU-QUCCMNQESA-N 1 1 324.424 3.595 20 30 DHEDMO CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)c1ccc(C#N)cc1Cl ZINC000582390144 1020935117 /nfs/dbraw/zinc/93/51/17/1020935117.db2.gz UKIBASSUNMZVKS-ZIAGYGMSSA-N 1 1 307.869 3.983 20 30 DHEDMO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1nc2c(s1)CCC2 ZINC000414155927 1020943172 /nfs/dbraw/zinc/94/31/72/1020943172.db2.gz OJULAUGLZNGDAM-ABAIWWIYSA-N 1 1 309.438 3.842 20 30 DHEDMO CC(C)C[N@H+]1CC[C@H](CNc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613429563 1020955028 /nfs/dbraw/zinc/95/50/28/1020955028.db2.gz NIXBYLZMXIXOEX-OAHLLOKOSA-N 1 1 314.477 3.641 20 30 DHEDMO CC1(C)C[C@H](N2CCC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001171988806 1032948113 /nfs/dbraw/zinc/94/81/13/1032948113.db2.gz VXNGOIYAQJGRHU-RTBURBONSA-N 1 1 311.473 3.665 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000740873965 1020958462 /nfs/dbraw/zinc/95/84/62/1020958462.db2.gz QXSOPXKRIKMHEX-HNNXBMFYSA-N 1 1 322.408 3.565 20 30 DHEDMO C[C@@H]1CC(N=Nc2nc(Cl)c(Cl)cc2Cl)CC[N@H+]1C ZINC000741458934 1021008770 /nfs/dbraw/zinc/00/87/70/1021008770.db2.gz ZMEYMXYGTBKVIK-SSDOTTSWSA-N 1 1 321.639 3.924 20 30 DHEDMO C=CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000741794162 1021053308 /nfs/dbraw/zinc/05/33/08/1021053308.db2.gz GLMBLZBPMORSFM-MRXNPFEDSA-N 1 1 310.482 3.922 20 30 DHEDMO N#CC1(c2ccccc2F)CC[NH+](CCC(F)(F)F)CC1 ZINC001202367581 1021231055 /nfs/dbraw/zinc/23/10/55/1021231055.db2.gz ACLKDGLFHLDRPH-UHFFFAOYSA-N 1 1 300.299 3.635 20 30 DHEDMO C[N@@H+](CCc1ccccn1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356406909 1021261122 /nfs/dbraw/zinc/26/11/22/1021261122.db2.gz GAXBJGCZHWWRLI-UHFFFAOYSA-N 1 1 319.330 3.647 20 30 DHEDMO C[N@@H+](CCc1cccs1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000743381885 1021277779 /nfs/dbraw/zinc/27/77/79/1021277779.db2.gz IGFCZVDHRSXLKG-UHFFFAOYSA-N 1 1 322.437 3.615 20 30 DHEDMO CC1(C)C[C@H](NCc2cc(C#N)co2)CC[N@H+]1Cc1ccccc1 ZINC001171980977 1032965134 /nfs/dbraw/zinc/96/51/34/1032965134.db2.gz YRZLIKMJDUFYBJ-GOSISDBHSA-N 1 1 323.440 3.684 20 30 DHEDMO N#CCCOCC[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000338914802 1021299312 /nfs/dbraw/zinc/29/93/12/1021299312.db2.gz CNTPVOVLLVMDBT-HNNXBMFYSA-N 1 1 323.234 3.516 20 30 DHEDMO C=C(CC)C[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000538001663 1032974386 /nfs/dbraw/zinc/97/43/86/1032974386.db2.gz CYWIRRNLYQUBNG-OAHLLOKOSA-N 1 1 310.235 3.789 20 30 DHEDMO C=C(CC)C[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000538001663 1032974396 /nfs/dbraw/zinc/97/43/96/1032974396.db2.gz CYWIRRNLYQUBNG-OAHLLOKOSA-N 1 1 310.235 3.789 20 30 DHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CCCOc2ccc(C#N)cc2)C1 ZINC000743868605 1021390956 /nfs/dbraw/zinc/39/09/56/1021390956.db2.gz DSKTYRSJGAEGJE-AEFFLSMTSA-N 1 1 318.486 3.933 20 30 DHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)CCCOc2ccc(C#N)cc2)C1 ZINC000743868613 1021394811 /nfs/dbraw/zinc/39/48/11/1021394811.db2.gz DSKTYRSJGAEGJE-WMZOPIPTSA-N 1 1 318.486 3.933 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000589190493 1021401410 /nfs/dbraw/zinc/40/14/10/1021401410.db2.gz VROGGOSXQYCBEQ-LJQANCHMSA-N 1 1 314.473 3.508 20 30 DHEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000618547849 1021417904 /nfs/dbraw/zinc/41/79/04/1021417904.db2.gz OFZOSWVTRKBXRN-SFHVURJKSA-N 1 1 308.466 3.618 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001172084381 1032981178 /nfs/dbraw/zinc/98/11/78/1032981178.db2.gz WWLYMGHWJLMPKR-YJMBLLCNSA-N 1 1 322.496 3.917 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(F)c(F)cc1F ZINC000618742256 1021500834 /nfs/dbraw/zinc/50/08/34/1021500834.db2.gz LHNRJBSVSWHJDB-QGZVFWFLSA-N 1 1 302.299 3.753 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000618743179 1021504348 /nfs/dbraw/zinc/50/43/48/1021504348.db2.gz ZBRRABGFIHHCKP-LJQANCHMSA-N 1 1 315.376 3.990 20 30 DHEDMO CCOCOc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1 ZINC000850390903 1021504986 /nfs/dbraw/zinc/50/49/86/1021504986.db2.gz XNMVUZUPGSODFW-UHFFFAOYSA-N 1 1 302.418 3.623 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@@H]2NC1CC[NH+](C2CCCCC2)CC1 ZINC000618801445 1021519880 /nfs/dbraw/zinc/51/98/80/1021519880.db2.gz AYAZCLVVPRMCRV-NRFANRHFSA-N 1 1 323.484 3.932 20 30 DHEDMO CC(C)C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000744437228 1021535926 /nfs/dbraw/zinc/53/59/26/1021535926.db2.gz LSWLNBTURMAJLX-KRWDZBQOSA-N 1 1 308.429 3.747 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(OCC#N)cc2)cc1C ZINC000264582355 1032988359 /nfs/dbraw/zinc/98/83/59/1032988359.db2.gz VWQRQLQNHLLIHB-UHFFFAOYSA-N 1 1 310.397 3.538 20 30 DHEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(OCC#N)cc2)s1 ZINC000264593601 1032996513 /nfs/dbraw/zinc/99/65/13/1032996513.db2.gz ZSHKKGQJJUUUQW-CYBMUJFWSA-N 1 1 315.442 3.855 20 30 DHEDMO C=C(Cl)C[NH2+]Cc1cc(OC)ccc1OCc1ccccn1 ZINC000763434260 1021756324 /nfs/dbraw/zinc/75/63/24/1021756324.db2.gz TYWCQJUWONHLQQ-UHFFFAOYSA-N 1 1 318.804 3.511 20 30 DHEDMO CC(C)Cn1ccnc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000619508342 1021771877 /nfs/dbraw/zinc/77/18/77/1021771877.db2.gz AWVIWDODUGMOGZ-LJQANCHMSA-N 1 1 322.456 3.968 20 30 DHEDMO N#CC1(CCC[N@@H+]2CC[C@@H]2c2cccc(F)c2)CCOCC1 ZINC000619620477 1021812229 /nfs/dbraw/zinc/81/22/29/1021812229.db2.gz BJHPCZBUZAIWIG-QGZVFWFLSA-N 1 1 302.393 3.673 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)ccc1C#N ZINC000619674373 1021823983 /nfs/dbraw/zinc/82/39/83/1021823983.db2.gz RJKDHVCYJKUYSH-SFHVURJKSA-N 1 1 308.381 3.610 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)cc1Cl ZINC000619748374 1021887209 /nfs/dbraw/zinc/88/72/09/1021887209.db2.gz CGULKTZMJQBJGV-UHFFFAOYSA-N 1 1 317.845 3.837 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001127520410 1021895590 /nfs/dbraw/zinc/89/55/90/1021895590.db2.gz RNJAAYDXOGVHRL-XJKSGUPXSA-N 1 1 308.853 3.804 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@@H+](CCC#N)CC(C)C)c1O ZINC000919944225 1021982599 /nfs/dbraw/zinc/98/25/99/1021982599.db2.gz ABFLYTKXBKUGSD-UHFFFAOYSA-N 1 1 316.445 3.891 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000155178395 1022031472 /nfs/dbraw/zinc/03/14/72/1022031472.db2.gz SJPXTJLXLZHHJY-INIZCTEOSA-N 1 1 323.440 3.675 20 30 DHEDMO C=CCOc1ccccc1[C@@H](C)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172118624 1033025036 /nfs/dbraw/zinc/02/50/36/1033025036.db2.gz SLWMGMALWJDEBQ-ZJPYXAASSA-N 1 1 314.473 3.917 20 30 DHEDMO C=CCOc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172118624 1033025042 /nfs/dbraw/zinc/02/50/42/1033025042.db2.gz SLWMGMALWJDEBQ-ZJPYXAASSA-N 1 1 314.473 3.917 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1ccnc(F)c1 ZINC000781134214 1022045979 /nfs/dbraw/zinc/04/59/79/1022045979.db2.gz WTTFFBZZRRAKIR-CQSZACIVSA-N 1 1 312.392 3.531 20 30 DHEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC000852087784 1022071379 /nfs/dbraw/zinc/07/13/79/1022071379.db2.gz TZLGNPMIHSTBCO-SFHVURJKSA-N 1 1 321.424 3.602 20 30 DHEDMO C=CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC000776581950 1022100132 /nfs/dbraw/zinc/10/01/32/1022100132.db2.gz JQZVWPXIPKTONP-GOSISDBHSA-N 1 1 318.417 3.697 20 30 DHEDMO CC[C@H](C)[N@H+](CC)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000852291230 1022101269 /nfs/dbraw/zinc/10/12/69/1022101269.db2.gz RUELMCACWWPIGK-QWHCGFSZSA-N 1 1 315.442 3.593 20 30 DHEDMO CC[C@H](C)[N@@H+](CC)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000852291230 1022101271 /nfs/dbraw/zinc/10/12/71/1022101271.db2.gz RUELMCACWWPIGK-QWHCGFSZSA-N 1 1 315.442 3.593 20 30 DHEDMO C#CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@@H]1CCc2ccccc21 ZINC000746451015 1022101396 /nfs/dbraw/zinc/10/13/96/1022101396.db2.gz QYOCFOPNLBNWST-HXUWFJFHSA-N 1 1 316.404 3.690 20 30 DHEDMO C#CC[N@H+](Cc1cc(C#N)ccc1OC)[C@@H]1CCc2ccccc21 ZINC000746451015 1022101398 /nfs/dbraw/zinc/10/13/98/1022101398.db2.gz QYOCFOPNLBNWST-HXUWFJFHSA-N 1 1 316.404 3.690 20 30 DHEDMO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852319629 1022105355 /nfs/dbraw/zinc/10/53/55/1022105355.db2.gz QPVSHCCRBARHHC-HZPDHXFCSA-N 1 1 321.424 3.792 20 30 DHEDMO C[C@H](C(=O)Nc1ccc2ccccc2c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000852319629 1022105356 /nfs/dbraw/zinc/10/53/56/1022105356.db2.gz QPVSHCCRBARHHC-HZPDHXFCSA-N 1 1 321.424 3.792 20 30 DHEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@]1(C)Cc1ccccc1Cl ZINC000852346245 1022110404 /nfs/dbraw/zinc/11/04/04/1022110404.db2.gz BWOPHYFOUGFIAW-YOEHRIQHSA-N 1 1 306.837 3.666 20 30 DHEDMO C[C@H]1CCC[N@@H+](CCC(C)(C)C#N)[C@@H]1CNC(=O)OC(C)(C)C ZINC000776588634 1022115818 /nfs/dbraw/zinc/11/58/18/1022115818.db2.gz ADONTEUAAPOTGB-LSDHHAIUSA-N 1 1 323.481 3.551 20 30 DHEDMO C[N@H+](Cc1ccc(F)cc1Br)[C@@H]1CC[C@@H](C#N)C1 ZINC000339136622 1022217970 /nfs/dbraw/zinc/21/79/70/1022217970.db2.gz XPUFZLRSGDKVGS-ZWNOBZJWSA-N 1 1 311.198 3.712 20 30 DHEDMO C[N@@H+](Cc1ccc(F)cc1Br)[C@@H]1CC[C@@H](C#N)C1 ZINC000339136622 1022217980 /nfs/dbraw/zinc/21/79/80/1022217980.db2.gz XPUFZLRSGDKVGS-ZWNOBZJWSA-N 1 1 311.198 3.712 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000159108060 1022260760 /nfs/dbraw/zinc/26/07/60/1022260760.db2.gz DDDPRDBBVGRQIK-CYBMUJFWSA-N 1 1 301.390 3.533 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000159108060 1022260769 /nfs/dbraw/zinc/26/07/69/1022260769.db2.gz DDDPRDBBVGRQIK-CYBMUJFWSA-N 1 1 301.390 3.533 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@@H+](CC)C[C@H](C)CC)c1=S ZINC000174948699 1022270650 /nfs/dbraw/zinc/27/06/50/1022270650.db2.gz UVSVDFSYOHUOTN-CYBMUJFWSA-N 1 1 308.495 3.803 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@H+](CC)C[C@H](C)CC)c1=S ZINC000174948699 1022270654 /nfs/dbraw/zinc/27/06/54/1022270654.db2.gz UVSVDFSYOHUOTN-CYBMUJFWSA-N 1 1 308.495 3.803 20 30 DHEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N(CCC#N)C1CCCCCCC1)C2 ZINC001169141356 1022272533 /nfs/dbraw/zinc/27/25/33/1022272533.db2.gz XEOBZRXFPIPRRN-BWTSREIZSA-N 1 1 303.494 3.940 20 30 DHEDMO CN1[C@@H]2CC[C@H]1C[C@@H]([N@H+](CCC#N)C1CCCCCCC1)C2 ZINC001169141356 1022272539 /nfs/dbraw/zinc/27/25/39/1022272539.db2.gz XEOBZRXFPIPRRN-BWTSREIZSA-N 1 1 303.494 3.940 20 30 DHEDMO CN1[C@@H]2CC[C@H]1C[C@@H]([N@@H+](CCC#N)C1CCCCCCC1)C2 ZINC001169141356 1022272542 /nfs/dbraw/zinc/27/25/42/1022272542.db2.gz XEOBZRXFPIPRRN-BWTSREIZSA-N 1 1 303.494 3.940 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350570 1022279801 /nfs/dbraw/zinc/27/98/01/1022279801.db2.gz SICFYKATXIJULG-UHFFFAOYSA-N 1 1 309.369 3.877 20 30 DHEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000609625747 1022318922 /nfs/dbraw/zinc/31/89/22/1022318922.db2.gz XRJZSBYSIGVFCE-HXUWFJFHSA-N 1 1 306.409 3.946 20 30 DHEDMO C=CCOc1ccc(C[N@H+](Cc2cn(C)cn2)C(C)(C)C)cc1 ZINC000660006346 1022336175 /nfs/dbraw/zinc/33/61/75/1022336175.db2.gz WQGIJZLAQDCQLI-UHFFFAOYSA-N 1 1 313.445 3.786 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)CCc2ccncc2)cc1Cl ZINC000183760366 1022349942 /nfs/dbraw/zinc/34/99/42/1022349942.db2.gz FNOOYTYTITWACO-UHFFFAOYSA-N 1 1 316.832 3.974 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000609916427 1022381678 /nfs/dbraw/zinc/38/16/78/1022381678.db2.gz NUJXWLGZKHHRFX-QGZVFWFLSA-N 1 1 324.399 3.641 20 30 DHEDMO C=C1CC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](CC)CCCC)C1 ZINC001272709817 1022382312 /nfs/dbraw/zinc/38/23/12/1022382312.db2.gz ZQFBVKMWVYUESH-QRQLOZEOSA-N 1 1 318.505 3.844 20 30 DHEDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000610003617 1022400320 /nfs/dbraw/zinc/40/03/20/1022400320.db2.gz BQOCVZJQJGTYGN-CQSZACIVSA-N 1 1 310.372 3.695 20 30 DHEDMO C[C@H]1c2c(F)cccc2CC[N@H+]1CCOc1ccccc1C#N ZINC000610004498 1022401705 /nfs/dbraw/zinc/40/17/05/1022401705.db2.gz NFJFSZUMHUOYTH-AWEZNQCLSA-N 1 1 310.372 3.695 20 30 DHEDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1CCOc1ccccc1C#N ZINC000610004498 1022401708 /nfs/dbraw/zinc/40/17/08/1022401708.db2.gz NFJFSZUMHUOYTH-AWEZNQCLSA-N 1 1 310.372 3.695 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000610133077 1022423218 /nfs/dbraw/zinc/42/32/18/1022423218.db2.gz JQOSCBZSFYFCRQ-MRXNPFEDSA-N 1 1 324.424 3.681 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000610133460 1022424066 /nfs/dbraw/zinc/42/40/66/1022424066.db2.gz PMVIZYGMMDMBBN-NXHRZFHOSA-N 1 1 316.420 3.723 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@H](C)c2cnccn2)cc1 ZINC001169534326 1022440099 /nfs/dbraw/zinc/44/00/99/1022440099.db2.gz UJRJHNHUWCSUCO-BEFAXECRSA-N 1 1 308.429 3.973 20 30 DHEDMO CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H](C)C#N)cc1 ZINC000183835203 1022458662 /nfs/dbraw/zinc/45/86/62/1022458662.db2.gz BDJJBFBDVQUGSF-QGZVFWFLSA-N 1 1 307.441 3.962 20 30 DHEDMO Cc1nccc([C@H]2CCC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)n1 ZINC000615438243 1022476308 /nfs/dbraw/zinc/47/63/08/1022476308.db2.gz SGNSOITVESMUFP-KDOFPFPSSA-N 1 1 306.413 3.597 20 30 DHEDMO C#C[C@](C)(CC)Nc1cc(NC(=O)Nc2ccccc2)cc[nH+]1 ZINC001169689257 1022501586 /nfs/dbraw/zinc/50/15/86/1022501586.db2.gz GOPIHLBNVVYYKE-GOSISDBHSA-N 1 1 308.385 3.939 20 30 DHEDMO C=CC[N@@H+](C1CCCCC1)[C@@H]1CCCN(C(=O)OCC)CC1 ZINC001169712177 1022515624 /nfs/dbraw/zinc/51/56/24/1022515624.db2.gz XXQYGCXOIQBGNC-QGZVFWFLSA-N 1 1 308.466 3.818 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)Cc1cc(Cl)ccc1Cl ZINC001169834664 1022560645 /nfs/dbraw/zinc/56/06/45/1022560645.db2.gz YBYPFLHGHZZSPH-UHFFFAOYSA-N 1 1 301.261 3.933 20 30 DHEDMO C=CC[C@H]1[N@@H+](CC(=O)N[C@H](C)c2ccccc2)CCCC1(C)C ZINC001169844109 1022562216 /nfs/dbraw/zinc/56/22/16/1022562216.db2.gz KLNCPPXLABIWJV-SJLPKXTDSA-N 1 1 314.473 3.931 20 30 DHEDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+](CCC#N)CC2CC2)c1 ZINC000103459680 1022578894 /nfs/dbraw/zinc/57/88/94/1022578894.db2.gz VMQLVUBKVRLRIN-UHFFFAOYSA-N 1 1 302.418 3.521 20 30 DHEDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000103459680 1022578897 /nfs/dbraw/zinc/57/88/97/1022578897.db2.gz VMQLVUBKVRLRIN-UHFFFAOYSA-N 1 1 302.418 3.521 20 30 DHEDMO C=CCC[N@@H+](Cc1ccccc1)C1CCN(CCCOC)CC1 ZINC001172255401 1033069309 /nfs/dbraw/zinc/06/93/09/1033069309.db2.gz PZPRZHSAPQUMOF-UHFFFAOYSA-N 1 1 316.489 3.566 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1 ZINC001237746362 1022747579 /nfs/dbraw/zinc/74/75/79/1022747579.db2.gz LVZHNEHMQYOGKE-DGCLKSJQSA-N 1 1 320.717 3.791 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1 ZINC001237746362 1022747590 /nfs/dbraw/zinc/74/75/90/1022747590.db2.gz LVZHNEHMQYOGKE-DGCLKSJQSA-N 1 1 320.717 3.791 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001172304905 1033077051 /nfs/dbraw/zinc/07/70/51/1033077051.db2.gz BFPIXKPHWKOJFP-MGPUTAFESA-N 1 1 324.399 3.782 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(F)cc1F ZINC001172311084 1033079414 /nfs/dbraw/zinc/07/94/14/1033079414.db2.gz OGPZNYJCJKCZBW-ZDUSSCGKSA-N 1 1 300.352 3.899 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767874158 1022832637 /nfs/dbraw/zinc/83/26/37/1022832637.db2.gz GEIOOBSDLVVMSG-ZBFHGGJFSA-N 1 1 313.363 3.822 20 30 DHEDMO COc1ccccc1CC[N@@H+](C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172319123 1033085280 /nfs/dbraw/zinc/08/52/80/1033085280.db2.gz LLVHLBSDRBOHJU-MRXNPFEDSA-N 1 1 308.425 3.672 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccccc1F ZINC000069071140 1022883197 /nfs/dbraw/zinc/88/31/97/1022883197.db2.gz WXSBIJZMWIYXGT-IBGZPJMESA-N 1 1 312.388 3.641 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1cc(OC)ns1)c1ccc(F)c(F)c1 ZINC000660311333 1022893455 /nfs/dbraw/zinc/89/34/55/1022893455.db2.gz GEAPEGBMCFALTH-HNNXBMFYSA-N 1 1 310.369 3.837 20 30 DHEDMO C#CCOc1ccc(C[N@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000768199152 1022913006 /nfs/dbraw/zinc/91/30/06/1022913006.db2.gz CIRQDQZJQVDFTO-UHFFFAOYSA-N 1 1 322.433 3.940 20 30 DHEDMO C#CCOc1ccc(C[N@@H+](C)Cc2nc3ccccc3s2)cc1 ZINC000768199152 1022913017 /nfs/dbraw/zinc/91/30/17/1022913017.db2.gz CIRQDQZJQVDFTO-UHFFFAOYSA-N 1 1 322.433 3.940 20 30 DHEDMO C=CCC[C@@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617344728 1022916195 /nfs/dbraw/zinc/91/61/95/1022916195.db2.gz OJXCDTWPMKPNNI-ZWKOTPCHSA-N 1 1 314.473 3.725 20 30 DHEDMO C#CCOc1ccccc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000768215261 1022927190 /nfs/dbraw/zinc/92/71/90/1022927190.db2.gz BGZHGHRRAXAVMS-UHFFFAOYSA-N 1 1 319.404 3.694 20 30 DHEDMO C[C@H]1CCC[N@H+](C(C)(C)CNc2snc(Cl)c2C#N)C1 ZINC000092642355 1022935074 /nfs/dbraw/zinc/93/50/74/1022935074.db2.gz HITXPJYVFHRERS-JTQLQIEISA-N 1 1 312.870 3.591 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000768360209 1022951539 /nfs/dbraw/zinc/95/15/39/1022951539.db2.gz KRNHQYQBZODTOO-HXUWFJFHSA-N 1 1 320.440 3.769 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000768353935 1022952527 /nfs/dbraw/zinc/95/25/27/1022952527.db2.gz CMFFNZRQVKEKRT-HNAYVOBHSA-N 1 1 307.397 3.710 20 30 DHEDMO C=C[C@H]1CCCCN1C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857195959 1022964633 /nfs/dbraw/zinc/96/46/33/1022964633.db2.gz LXCWAFXSPYXBHS-MOPGFXCFSA-N 1 1 312.457 3.677 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cc(OC)c(C)cc1O ZINC000768452056 1022967438 /nfs/dbraw/zinc/96/74/38/1022967438.db2.gz NRPDCDOJYBHFDN-UHFFFAOYSA-N 1 1 304.434 3.861 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1O)CCCC2 ZINC000768442639 1022967979 /nfs/dbraw/zinc/96/79/79/1022967979.db2.gz XRUPGJZGFBGIAZ-UHFFFAOYSA-N 1 1 306.409 3.775 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@@](C)(C(F)F)O1 ZINC000931080814 1022969276 /nfs/dbraw/zinc/96/92/76/1022969276.db2.gz GDXPIHDHGHELTD-HIFRSBDPSA-N 1 1 300.393 3.595 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC001212325277 1022999966 /nfs/dbraw/zinc/99/99/66/1022999966.db2.gz LTZPMEYUIPEDNY-LBPRGKRZSA-N 1 1 310.184 3.847 20 30 DHEDMO COc1cccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1O ZINC000768662159 1023006274 /nfs/dbraw/zinc/00/62/74/1023006274.db2.gz SAJIBIKUOJWANS-UHFFFAOYSA-N 1 1 324.424 3.931 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C1CCCC1 ZINC000768725011 1023016845 /nfs/dbraw/zinc/01/68/45/1023016845.db2.gz WWOIPHKYQRTTIJ-FQEVSTJZSA-N 1 1 313.441 3.622 20 30 DHEDMO C=CCCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000617615620 1023017069 /nfs/dbraw/zinc/01/70/69/1023017069.db2.gz URBZRULKYHQAJI-UHFFFAOYSA-N 1 1 308.425 3.625 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CN[C@H](C)c1ccc(F)cn1)C(C)C ZINC000092738715 1023074529 /nfs/dbraw/zinc/07/45/29/1023074529.db2.gz RBXSZTSLUKEMRQ-QAPCUYQASA-N 1 1 305.441 3.570 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(OCC)c1O ZINC000769145239 1023089571 /nfs/dbraw/zinc/08/95/71/1023089571.db2.gz FLDKPPDFDYFQBM-UHFFFAOYSA-N 1 1 313.372 3.565 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000181443743 1023101238 /nfs/dbraw/zinc/10/12/38/1023101238.db2.gz OPQXBARXBJAOIS-AWEZNQCLSA-N 1 1 310.372 3.675 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000181443743 1023101245 /nfs/dbraw/zinc/10/12/45/1023101245.db2.gz OPQXBARXBJAOIS-AWEZNQCLSA-N 1 1 310.372 3.675 20 30 DHEDMO C#CCCOc1ccc(C[N@H+](C)CCc2ccccc2OC)cc1 ZINC000769334416 1023126402 /nfs/dbraw/zinc/12/64/02/1023126402.db2.gz OQHHQNDMPIVSQU-UHFFFAOYSA-N 1 1 323.436 3.772 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000660402415 1023132429 /nfs/dbraw/zinc/13/24/29/1023132429.db2.gz GPROBBVYRAKIMR-OKZBNKHCSA-N 1 1 319.493 3.534 20 30 DHEDMO Cc1nc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)sc1C ZINC000893361478 1023151544 /nfs/dbraw/zinc/15/15/44/1023151544.db2.gz YSKJDTJNNYEOMB-UHFFFAOYSA-N 1 1 324.371 3.920 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)cc1 ZINC000769473271 1023162850 /nfs/dbraw/zinc/16/28/50/1023162850.db2.gz MPWULZHBAPFHQE-GOSISDBHSA-N 1 1 321.420 3.697 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000769505784 1023168830 /nfs/dbraw/zinc/16/88/30/1023168830.db2.gz IONBHFIBWPRDNL-VQIMIIECSA-N 1 1 306.409 3.794 20 30 DHEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000769953044 1023245392 /nfs/dbraw/zinc/24/53/92/1023245392.db2.gz JJFVCKOJRZFFBZ-CKNLXJGOSA-N 1 1 324.399 3.739 20 30 DHEDMO CCC1(CC)[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C[C@@H]1OC ZINC001167764843 1023265334 /nfs/dbraw/zinc/26/53/34/1023265334.db2.gz BCRDNDXXQIVILK-SJORKVTESA-N 1 1 304.409 3.723 20 30 DHEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1c(C)cc(C#N)cc1C ZINC001170013583 1023288315 /nfs/dbraw/zinc/28/83/15/1023288315.db2.gz JAUGHJOAWBPRLF-HXUWFJFHSA-N 1 1 322.452 3.865 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2cc(C)n(C)n2)cc1 ZINC001167770324 1023342922 /nfs/dbraw/zinc/34/29/22/1023342922.db2.gz VPJLJNAARMLAKV-LJQANCHMSA-N 1 1 310.445 3.664 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000876715905 1033128926 /nfs/dbraw/zinc/12/89/26/1033128926.db2.gz CNKHQJMXFMUBEF-CYBMUJFWSA-N 1 1 315.779 3.735 20 30 DHEDMO C=C1CC[NH+](Cc2cn(C)nc2-c2cc(F)ccc2F)CC1 ZINC000876695284 1033124769 /nfs/dbraw/zinc/12/47/69/1033124769.db2.gz WBKKBYDDQBXASQ-UHFFFAOYSA-N 1 1 303.356 3.517 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000876715905 1033128933 /nfs/dbraw/zinc/12/89/33/1033128933.db2.gz CNKHQJMXFMUBEF-CYBMUJFWSA-N 1 1 315.779 3.735 20 30 DHEDMO C[C@@H](c1cccnc1)[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000772257432 1023539926 /nfs/dbraw/zinc/53/99/26/1023539926.db2.gz RYODFYVGZDVWAN-ZDUSSCGKSA-N 1 1 315.804 3.830 20 30 DHEDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000772257432 1023539929 /nfs/dbraw/zinc/53/99/29/1023539929.db2.gz RYODFYVGZDVWAN-ZDUSSCGKSA-N 1 1 315.804 3.830 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1SC(F)F)C1CC1 ZINC000772383693 1023551747 /nfs/dbraw/zinc/55/17/47/1023551747.db2.gz XBIPMKWGQYLOCB-UHFFFAOYSA-N 1 1 312.385 3.590 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1ccccc1SC(F)F)C1CC1 ZINC000772383693 1023551753 /nfs/dbraw/zinc/55/17/53/1023551753.db2.gz XBIPMKWGQYLOCB-UHFFFAOYSA-N 1 1 312.385 3.590 20 30 DHEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCn2cc(C(=O)OC)nc2C1 ZINC001172362026 1033141468 /nfs/dbraw/zinc/14/14/68/1033141468.db2.gz RDZRXQGKEJXWML-OAHLLOKOSA-N 1 1 321.465 3.624 20 30 DHEDMO CCCCCCC[C@@H](CC)[N@H+]1CCn2cc(C(=O)OC)nc2C1 ZINC001172362026 1033141501 /nfs/dbraw/zinc/14/15/01/1033141501.db2.gz RDZRXQGKEJXWML-OAHLLOKOSA-N 1 1 321.465 3.624 20 30 DHEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000337699660 1033141819 /nfs/dbraw/zinc/14/18/19/1033141819.db2.gz DBIJRIGVLJSWBV-INIZCTEOSA-N 1 1 323.415 3.576 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000661380586 1023581823 /nfs/dbraw/zinc/58/18/23/1023581823.db2.gz OPCOTCGKPZIMDN-KRWDZBQOSA-N 1 1 311.429 3.643 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000661380586 1023581832 /nfs/dbraw/zinc/58/18/32/1023581832.db2.gz OPCOTCGKPZIMDN-KRWDZBQOSA-N 1 1 311.429 3.643 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2nc3sc(C)c(C)c3c(N)n2)C1 ZINC000661381971 1023582810 /nfs/dbraw/zinc/58/28/10/1023582810.db2.gz RCLSNVLFKZHHGV-ZDUSSCGKSA-N 1 1 316.474 3.678 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)C1 ZINC000661381172 1023584518 /nfs/dbraw/zinc/58/45/18/1023584518.db2.gz WVBWZWDFLPUKNV-GOEBONIOSA-N 1 1 316.445 3.693 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)C1 ZINC000661381172 1023584527 /nfs/dbraw/zinc/58/45/27/1023584527.db2.gz WVBWZWDFLPUKNV-GOEBONIOSA-N 1 1 316.445 3.693 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000661385507 1023586616 /nfs/dbraw/zinc/58/66/16/1023586616.db2.gz PGUFXXPGZAKENA-PBHICJAKSA-N 1 1 316.470 3.778 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000785617070 1023599210 /nfs/dbraw/zinc/59/92/10/1023599210.db2.gz INGMAMWYDJDWEE-HNNXBMFYSA-N 1 1 316.763 3.833 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1C[C@H](O)c1ccccc1Br ZINC000785997740 1023650759 /nfs/dbraw/zinc/65/07/59/1023650759.db2.gz RKUSDRIISFVNLN-WFASDCNBSA-N 1 1 310.235 3.523 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccccc1Br ZINC000785997740 1023650761 /nfs/dbraw/zinc/65/07/61/1023650761.db2.gz RKUSDRIISFVNLN-WFASDCNBSA-N 1 1 310.235 3.523 20 30 DHEDMO CC(C)(C#N)CCCCOC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000786877078 1023733612 /nfs/dbraw/zinc/73/36/12/1023733612.db2.gz COQUQAANOLAKJF-MRXNPFEDSA-N 1 1 306.450 3.657 20 30 DHEDMO C[C@@H](OC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000786883493 1023737883 /nfs/dbraw/zinc/73/78/83/1023737883.db2.gz RCGFNMZXASNKCL-RDTXWAMCSA-N 1 1 312.413 3.569 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)C[C@H](O)c1ccc(F)cc1C ZINC000746673397 1023784065 /nfs/dbraw/zinc/78/40/65/1023784065.db2.gz LSERZOJSPSYPTN-SFHVURJKSA-N 1 1 306.425 3.819 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](O)c1ccc(F)cc1C ZINC000746673397 1023784068 /nfs/dbraw/zinc/78/40/68/1023784068.db2.gz LSERZOJSPSYPTN-SFHVURJKSA-N 1 1 306.425 3.819 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC3(CCCC3=O)CC2)c(Cl)c1 ZINC000661957694 1023825416 /nfs/dbraw/zinc/82/54/16/1023825416.db2.gz LCEHBYNIAZYPDH-UHFFFAOYSA-N 1 1 302.805 3.547 20 30 DHEDMO C#CCC(CC#C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000788279880 1023869640 /nfs/dbraw/zinc/86/96/40/1023869640.db2.gz CNVFPKYJDMKDDH-KRWDZBQOSA-N 1 1 322.452 3.520 20 30 DHEDMO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+]C[C@@H](C)C#N)n2c1 ZINC000893543373 1023881742 /nfs/dbraw/zinc/88/17/42/1023881742.db2.gz AUCIZDGYLQAJGL-AWEZNQCLSA-N 1 1 322.387 3.698 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000662081633 1023887165 /nfs/dbraw/zinc/88/71/65/1023887165.db2.gz PTVCCWGKZMDLMY-JCGIZDLHSA-N 1 1 316.420 3.528 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000662081636 1023887986 /nfs/dbraw/zinc/88/79/86/1023887986.db2.gz PTVCCWGKZMDLMY-OLMNPRSZSA-N 1 1 316.420 3.528 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccccc1C(C)C ZINC000662080808 1023889411 /nfs/dbraw/zinc/88/94/11/1023889411.db2.gz MQZXGCGUOSUBMQ-FGTMMUONSA-N 1 1 315.457 3.733 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cc(Cl)ccc1C ZINC000662085844 1023893855 /nfs/dbraw/zinc/89/38/55/1023893855.db2.gz KYPBBUGZSRJKGP-GASCZTMLSA-N 1 1 304.821 3.770 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)N1CCCc2ccccc21 ZINC000662091377 1023901493 /nfs/dbraw/zinc/90/14/93/1023901493.db2.gz XHDUHHZSYMKQBL-HDICACEKSA-N 1 1 310.441 3.539 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1-n1cncn1 ZINC000662091534 1023901525 /nfs/dbraw/zinc/90/15/25/1023901525.db2.gz ZOTUHENGJPWWQW-IYBDPMFKSA-N 1 1 314.820 3.604 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCOCC23CCCC3)c1 ZINC000093840591 1023932635 /nfs/dbraw/zinc/93/26/35/1023932635.db2.gz VFFOCEYMWRCPFW-UHFFFAOYSA-N 1 1 314.429 3.514 20 30 DHEDMO C[N@H+]1CC[C@H](c2ccc(NCc3ccc(C#N)c(F)c3)cc2)C1 ZINC001170096450 1023980873 /nfs/dbraw/zinc/98/08/73/1023980873.db2.gz UOPXZEMUECZJNT-KRWDZBQOSA-N 1 1 309.388 3.729 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)C/C=C/c2ccc(Cl)cc2)n1 ZINC000789328897 1024050954 /nfs/dbraw/zinc/05/09/54/1024050954.db2.gz BSJFCMNVHITSSA-AATRIKPKSA-N 1 1 313.832 3.705 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)C/C=C/c2ccc(Cl)cc2)n1 ZINC000789328897 1024050976 /nfs/dbraw/zinc/05/09/76/1024050976.db2.gz BSJFCMNVHITSSA-AATRIKPKSA-N 1 1 313.832 3.705 20 30 DHEDMO COc1ccc(Br)cc1C[N@@H+](C)CCCCC#N ZINC000268254223 1024091526 /nfs/dbraw/zinc/09/15/26/1024091526.db2.gz PGLZHILPVARINN-UHFFFAOYSA-N 1 1 311.223 3.583 20 30 DHEDMO CC(C)c1cccc2c1CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000789555176 1024111997 /nfs/dbraw/zinc/11/19/97/1024111997.db2.gz UDTXDQWOAPMRGD-NRFANRHFSA-N 1 1 320.436 3.773 20 30 DHEDMO COc1ccc(OC)c(C[N@@H+](CCCCC#N)C(C)(C)C)c1 ZINC000268500837 1024119169 /nfs/dbraw/zinc/11/91/69/1024119169.db2.gz AHGUMFNOYMVKPR-UHFFFAOYSA-N 1 1 304.434 3.998 20 30 DHEDMO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C[C@H]1CC1(C)C ZINC000662348614 1024120853 /nfs/dbraw/zinc/12/08/53/1024120853.db2.gz WIUWAHPMVJTNGQ-OAHLLOKOSA-N 1 1 323.440 3.716 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCCC[C@@H]2c2ccco2)cc1 ZINC000268649577 1024138370 /nfs/dbraw/zinc/13/83/70/1024138370.db2.gz GHJMFFJVGYMKHB-QZTJIDSGSA-N 1 1 310.397 3.802 20 30 DHEDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3cccc(C#N)c3C)c2C1 ZINC000337811309 1033189117 /nfs/dbraw/zinc/18/91/17/1033189117.db2.gz MMEUNDWUVVIOGI-UHFFFAOYSA-N 1 1 319.408 3.845 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000053906464 1024150090 /nfs/dbraw/zinc/15/00/90/1024150090.db2.gz VSIFVFODKSELRY-UHFFFAOYSA-N 1 1 310.372 3.894 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000053906464 1024150097 /nfs/dbraw/zinc/15/00/97/1024150097.db2.gz VSIFVFODKSELRY-UHFFFAOYSA-N 1 1 310.372 3.894 20 30 DHEDMO CCC[N@H+]1Cc2cccc(NC(=O)c3cccc(C#N)c3C)c2C1 ZINC000337811309 1033189122 /nfs/dbraw/zinc/18/91/22/1033189122.db2.gz MMEUNDWUVVIOGI-UHFFFAOYSA-N 1 1 319.408 3.845 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H](C)c2cccc(Cl)c2)n1 ZINC000789759835 1024158758 /nfs/dbraw/zinc/15/87/58/1024158758.db2.gz ZDIVEPDBVKQRCL-HNNXBMFYSA-N 1 1 315.848 3.795 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)[C@@H]2CC[C@@](C)(c3ccccc3)C2)n1 ZINC000789759219 1024159187 /nfs/dbraw/zinc/15/91/87/1024159187.db2.gz QGXQQLSNNZWPNU-NHCUHLMSSA-N 1 1 321.468 3.849 20 30 DHEDMO CC(C)C[C@H]([NH2+][C@H](C)CCCC#N)C(=O)OCc1ccccc1 ZINC001172476056 1033189913 /nfs/dbraw/zinc/18/99/13/1033189913.db2.gz FVUQYSQVMXZVKL-AEFFLSMTSA-N 1 1 316.445 3.816 20 30 DHEDMO C=C(C)CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000452716106 1024171949 /nfs/dbraw/zinc/17/19/49/1024171949.db2.gz GPJOHBGLRJXDEW-INIZCTEOSA-N 1 1 315.461 3.576 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000269009767 1024221722 /nfs/dbraw/zinc/22/17/22/1024221722.db2.gz UINKFUNUERQRBC-FQEVSTJZSA-N 1 1 320.436 3.579 20 30 DHEDMO CCc1noc(CC)c1C[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000925248083 1024280163 /nfs/dbraw/zinc/28/01/63/1024280163.db2.gz WPJVYAVGELWNSQ-OAHLLOKOSA-N 1 1 313.401 3.618 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3cnccc3C#N)cc2)C1 ZINC000094136033 1024312954 /nfs/dbraw/zinc/31/29/54/1024312954.db2.gz UUIYEPLHHHRFRX-MRXNPFEDSA-N 1 1 320.440 3.797 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000893605472 1024350964 /nfs/dbraw/zinc/35/09/64/1024350964.db2.gz GPODIRMEDFWMGW-SNVBAGLBSA-N 1 1 324.197 3.851 20 30 DHEDMO CCC[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccn1 ZINC000877013399 1033205473 /nfs/dbraw/zinc/20/54/73/1033205473.db2.gz QFTDZCPRIPGBGK-CQSZACIVSA-N 1 1 300.793 3.633 20 30 DHEDMO CC(C)OCC[C@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001172456491 1033209207 /nfs/dbraw/zinc/20/92/07/1033209207.db2.gz ODRXHDCPKXBQRS-FUHWJXTLSA-N 1 1 316.445 3.605 20 30 DHEDMO CC(C)OCC[C@@H](C)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001172456490 1033210161 /nfs/dbraw/zinc/21/01/61/1033210161.db2.gz ODRXHDCPKXBQRS-AEFFLSMTSA-N 1 1 316.445 3.605 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000584695205 1024451691 /nfs/dbraw/zinc/45/16/91/1024451691.db2.gz SZYFPJGGTHWDJG-QZTJIDSGSA-N 1 1 306.413 3.716 20 30 DHEDMO CC(C)OCC[C@H](C)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001172458088 1033212084 /nfs/dbraw/zinc/21/20/84/1033212084.db2.gz XVYLVJOVFZONMI-LPHOPBHVSA-N 1 1 316.445 3.605 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1F)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000453378227 1024498088 /nfs/dbraw/zinc/49/80/88/1024498088.db2.gz VVQOQNKVHOWHPY-GUYCJALGSA-N 1 1 304.434 3.977 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000791565351 1024524696 /nfs/dbraw/zinc/52/46/96/1024524696.db2.gz AMWVMSDGLZADSO-HXUWFJFHSA-N 1 1 306.409 3.670 20 30 DHEDMO C[C@H]([NH2+]Cc1nc(C(F)(F)F)cs1)c1ccc(C#N)cc1 ZINC000271645486 1024556847 /nfs/dbraw/zinc/55/68/47/1024556847.db2.gz IAPVWEOMGXAJCO-VIFPVBQESA-N 1 1 311.332 3.884 20 30 DHEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000532125027 1024559015 /nfs/dbraw/zinc/55/90/15/1024559015.db2.gz RDCRAEOAKZMZPS-KRWDZBQOSA-N 1 1 314.429 3.502 20 30 DHEDMO C=C(C)C[N@H+](CCC1(OC)CCC1)Cc1cnn(C(C)C)c1 ZINC000339193984 1024579480 /nfs/dbraw/zinc/57/94/80/1024579480.db2.gz PCCNRTBIDJRKIW-UHFFFAOYSA-N 1 1 305.466 3.801 20 30 DHEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000348715434 1024609599 /nfs/dbraw/zinc/60/95/99/1024609599.db2.gz PTLMIBZCLJKVJV-BEFAXECRSA-N 1 1 323.440 3.879 20 30 DHEDMO CCCC#CC(=O)N1CC2(C1)CC[N@H+](C[C@H](CC)CCCC)C2 ZINC001274653503 1024610961 /nfs/dbraw/zinc/61/09/61/1024610961.db2.gz BNZGODIGEZRUKP-GOSISDBHSA-N 1 1 318.505 3.541 20 30 DHEDMO Cc1csc([C@H]2C[C@@H]3CC[N@H+]([C@@H](C)CCCC#N)C[C@H]3O2)n1 ZINC001172496240 1033225288 /nfs/dbraw/zinc/22/52/88/1033225288.db2.gz YVHGCSXIRHXZDJ-CAOSSQGBSA-N 1 1 319.474 3.686 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001172497175 1033225574 /nfs/dbraw/zinc/22/55/74/1033225574.db2.gz ZGMHUESGAFMEKN-GDAAHCPNSA-N 1 1 320.477 3.507 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCc2cc(Br)ccc2C1 ZINC001172494874 1033226180 /nfs/dbraw/zinc/22/61/80/1033226180.db2.gz YYMWOJSPSYRPCM-LBPRGKRZSA-N 1 1 307.235 3.890 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)cc1F ZINC000792246433 1024652662 /nfs/dbraw/zinc/65/26/62/1024652662.db2.gz IIYWSGOOXDPKSI-WOJBJXKFSA-N 1 1 324.399 3.785 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001172494775 1033226889 /nfs/dbraw/zinc/22/68/89/1033226889.db2.gz XXQVOWZEWKEORU-HZPDHXFCSA-N 1 1 323.481 3.648 20 30 DHEDMO CCCCCCCCC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000792269883 1024656797 /nfs/dbraw/zinc/65/67/97/1024656797.db2.gz XXRITNWWDHQDLJ-WOJBJXKFSA-N 1 1 323.569 3.695 20 30 DHEDMO CCCCCCCCC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000792269883 1024656802 /nfs/dbraw/zinc/65/68/02/1024656802.db2.gz XXRITNWWDHQDLJ-WOJBJXKFSA-N 1 1 323.569 3.695 20 30 DHEDMO Cc1ccc2c(n1)N(CC1CC1)CC[N@H+]([C@@H](C)CCCC#N)C2 ZINC001172500110 1033227908 /nfs/dbraw/zinc/22/79/08/1033227908.db2.gz WWOBCGVNLIICEL-INIZCTEOSA-N 1 1 312.461 3.504 20 30 DHEDMO CCC[C@H]1C[N@H+]([C@H](C)CCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172499075 1033228106 /nfs/dbraw/zinc/22/81/06/1033228106.db2.gz UWNGZJXHMWRSJE-CVEARBPZSA-N 1 1 323.481 3.790 20 30 DHEDMO CC(C)(C)OC(=O)Nc1cc(N[C@H]2CC[C@H](C#N)CC2)cc[nH+]1 ZINC001167845666 1024706359 /nfs/dbraw/zinc/70/63/59/1024706359.db2.gz VQSLZEWDGVSQJZ-JOCQHMNTSA-N 1 1 316.405 3.923 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+](C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001172497548 1033229859 /nfs/dbraw/zinc/22/98/59/1033229859.db2.gz CNZJLFJAEGFGQB-NSHGMRRFSA-N 1 1 313.489 3.911 20 30 DHEDMO C[N@@H+](Cc1ccc(O)cc1)Cc1cccc(OCCCC#N)c1 ZINC000349405474 1024717832 /nfs/dbraw/zinc/71/78/32/1024717832.db2.gz JHGCORMNWSZSFP-UHFFFAOYSA-N 1 1 310.397 3.707 20 30 DHEDMO COc1ccccc1[C@@H](O)C[N@@H+](C(C)C)[C@H](C)CCCC#N ZINC001172501768 1033231248 /nfs/dbraw/zinc/23/12/48/1033231248.db2.gz RLTPLBSQUWUTBG-WBVHZDCISA-N 1 1 304.434 3.521 20 30 DHEDMO COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)[C@@H](C)CCCC#N ZINC001172502787 1033232112 /nfs/dbraw/zinc/23/21/12/1033232112.db2.gz WTQIQUXZKQBTHD-HOTGVXAUSA-N 1 1 304.434 3.614 20 30 DHEDMO CCCCCCCC[C@@H](CC)[NH2+]C1(C(=O)OC)CCOCC1 ZINC001172503599 1033232792 /nfs/dbraw/zinc/23/27/92/1033232792.db2.gz SGFHOFRBLHLTAF-MRXNPFEDSA-N 1 1 313.482 3.827 20 30 DHEDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)cc1 ZINC000349792740 1024753631 /nfs/dbraw/zinc/75/36/31/1024753631.db2.gz YYUVITPHNRZZNK-LJQANCHMSA-N 1 1 316.408 3.852 20 30 DHEDMO C#C[C@@H](CC)[NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000792643966 1024756475 /nfs/dbraw/zinc/75/64/75/1024756475.db2.gz VYIKENOODQUGPL-WMZOPIPTSA-N 1 1 310.372 3.507 20 30 DHEDMO CC(C)(O)[C@@H]1CCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170394846 1024761373 /nfs/dbraw/zinc/76/13/73/1024761373.db2.gz CJRMYOPJWZWPJJ-FDYSRKEFSA-N 1 1 312.457 3.626 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCOC[C@H]2C2CC2)CC1 ZINC001170395479 1024763420 /nfs/dbraw/zinc/76/34/20/1024763420.db2.gz MFYTWYCTWXIJCL-GPJFCIFZSA-N 1 1 310.441 3.501 20 30 DHEDMO C[N@@H+](CCc1ccccn1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170375772 1024765568 /nfs/dbraw/zinc/76/55/68/1024765568.db2.gz FAUJLFOLQLRLIO-UHFFFAOYSA-N 1 1 319.452 3.960 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)s1 ZINC000349992932 1024778846 /nfs/dbraw/zinc/77/88/46/1024778846.db2.gz VQEFKQDFYMQVQM-UHFFFAOYSA-N 1 1 320.421 3.785 20 30 DHEDMO C[C@]12CC[N@@H+](Cc3ccc(CC#N)cc3)C[C@H]1C2(Cl)Cl ZINC000792895992 1024826878 /nfs/dbraw/zinc/82/68/78/1024826878.db2.gz BZWXSIPPYCVPRW-CABCVRRESA-N 1 1 309.240 3.768 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NCC#Cc2ccccc2)nc1 ZINC001170426121 1024900643 /nfs/dbraw/zinc/90/06/43/1024900643.db2.gz KWDNBRVPUICKGH-GOSISDBHSA-N 1 1 319.452 3.920 20 30 DHEDMO C[N@H+]1CCCC[C@H]1c1ccc(NCC#Cc2ccccc2)nc1 ZINC001170425920 1024901664 /nfs/dbraw/zinc/90/16/64/1024901664.db2.gz KCGPMRKUNHURHL-IBGZPJMESA-N 1 1 305.425 3.702 20 30 DHEDMO C[N@H+]1CCN(Cc2cc(Cl)cc(C#N)c2)CC12CCCCC2 ZINC001170425978 1024901991 /nfs/dbraw/zinc/90/19/91/1024901991.db2.gz WKKYCNWORNDYNC-UHFFFAOYSA-N 1 1 317.864 3.662 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC(F)(F)F ZINC001275112008 1024918731 /nfs/dbraw/zinc/91/87/31/1024918731.db2.gz VYGNGCQETSDDCO-ZIAGYGMSSA-N 1 1 320.399 3.584 20 30 DHEDMO C=CCCn1cc(C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)nn1 ZINC000653608853 1024950792 /nfs/dbraw/zinc/95/07/92/1024950792.db2.gz JPNCGMLWANVZQI-SFHVURJKSA-N 1 1 314.408 3.543 20 30 DHEDMO Cc1nccn1CCCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000163197504 1024986024 /nfs/dbraw/zinc/98/60/24/1024986024.db2.gz FEYVNZXZBCGLAI-PMACEKPBSA-N 1 1 322.456 3.744 20 30 DHEDMO COc1cc(C[NH2+]Cc2ccc(F)cc2Cl)ccc1C#N ZINC000353247751 1025000440 /nfs/dbraw/zinc/00/04/40/1025000440.db2.gz KJOOELVYZJIDGR-UHFFFAOYSA-N 1 1 304.752 3.649 20 30 DHEDMO CC[N@@H+](Cc1ccc(OC)c(O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000119861030 1025001299 /nfs/dbraw/zinc/00/12/99/1025001299.db2.gz DSQPMPOSEBNTKK-CQSZACIVSA-N 1 1 310.397 3.856 20 30 DHEDMO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000353266838 1025007799 /nfs/dbraw/zinc/00/77/99/1025007799.db2.gz LAHJZFZQGGDXPV-GOSISDBHSA-N 1 1 322.408 3.610 20 30 DHEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(F)c(C#N)c2)s1 ZINC000120378786 1025030509 /nfs/dbraw/zinc/03/05/09/1025030509.db2.gz RSDANWIPCPSNNC-LLVKDONJSA-N 1 1 303.406 3.964 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000353426020 1025061567 /nfs/dbraw/zinc/06/15/67/1025061567.db2.gz LLTCIICYVRJLIP-OAQYLSRUSA-N 1 1 319.452 3.787 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000353426019 1025063084 /nfs/dbraw/zinc/06/30/84/1025063084.db2.gz LLTCIICYVRJLIP-NRFANRHFSA-N 1 1 319.452 3.787 20 30 DHEDMO CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000191506340 1025157065 /nfs/dbraw/zinc/15/70/65/1025157065.db2.gz VARVPUZYHOKJEY-UHFFFAOYSA-N 1 1 310.445 3.538 20 30 DHEDMO C[C@@H]1CN(Cc2cccc(C#N)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001168193574 1025172730 /nfs/dbraw/zinc/17/27/30/1025172730.db2.gz RQYWSOOQNDDDNN-MSOLQXFVSA-N 1 1 319.452 3.653 20 30 DHEDMO C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000353681682 1025195611 /nfs/dbraw/zinc/19/56/11/1025195611.db2.gz WTGWCYHZGGACMH-RRMPHLOHSA-N 1 1 323.484 3.788 20 30 DHEDMO C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000353681682 1025195621 /nfs/dbraw/zinc/19/56/21/1025195621.db2.gz WTGWCYHZGGACMH-RRMPHLOHSA-N 1 1 323.484 3.788 20 30 DHEDMO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCCCC/C=C\CC ZINC001275275408 1025241667 /nfs/dbraw/zinc/24/16/67/1025241667.db2.gz AYINCMLOTPABPD-CQQBRXBZSA-N 1 1 316.489 3.602 20 30 DHEDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000135261808 1033269737 /nfs/dbraw/zinc/26/97/37/1033269737.db2.gz FXVCIUPBHUIUCK-KRWDZBQOSA-N 1 1 313.489 3.651 20 30 DHEDMO CC(C)C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC001167898033 1025260897 /nfs/dbraw/zinc/26/08/97/1025260897.db2.gz KTKWJBRSDFVLAR-SFHVURJKSA-N 1 1 313.445 3.787 20 30 DHEDMO COCc1nc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cs1 ZINC000353912186 1025288594 /nfs/dbraw/zinc/28/85/94/1025288594.db2.gz DVJWHHBPWHQYJX-INIZCTEOSA-N 1 1 315.442 3.814 20 30 DHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C1CCC(C)CC1)CCO2 ZINC001168217407 1025338069 /nfs/dbraw/zinc/33/80/69/1025338069.db2.gz LLRLPVBDEBXBDR-JWHDQAAXSA-N 1 1 307.478 3.639 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3c3ccccc3)n2c1 ZINC000123650660 1025392080 /nfs/dbraw/zinc/39/20/80/1025392080.db2.gz JKKVLNZIXFORDK-SFHVURJKSA-N 1 1 302.381 3.543 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000885937900 1025412436 /nfs/dbraw/zinc/41/24/36/1025412436.db2.gz MKDORPFJLCRKAZ-SJORKVTESA-N 1 1 318.848 3.922 20 30 DHEDMO C=CCCC1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000354398724 1025421368 /nfs/dbraw/zinc/42/13/68/1025421368.db2.gz VRDCLXVNGLXFFM-SFHVURJKSA-N 1 1 312.457 3.514 20 30 DHEDMO C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC=C(C)C ZINC001275324873 1025433057 /nfs/dbraw/zinc/43/30/57/1025433057.db2.gz JIXOXRRSICPOJJ-QZTJIDSGSA-N 1 1 304.478 3.764 20 30 DHEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886014680 1025438108 /nfs/dbraw/zinc/43/81/08/1025438108.db2.gz NERIYRYFCACWDY-WMLDXEAASA-N 1 1 320.864 3.648 20 30 DHEDMO C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CCCC1 ZINC001275329329 1025439636 /nfs/dbraw/zinc/43/96/36/1025439636.db2.gz SINIFPZQFOHLBN-RTBURBONSA-N 1 1 318.505 3.988 20 30 DHEDMO C=CCCCCCC[N@@H+]1CC[C@]2(CCN(CC(=C)C)C2=O)C1 ZINC001275330800 1025442486 /nfs/dbraw/zinc/44/24/86/1025442486.db2.gz PUHCJWRUFMXRJF-IBGZPJMESA-N 1 1 304.478 3.623 20 30 DHEDMO Cc1cnc([C@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)s1 ZINC000366074651 1025468825 /nfs/dbraw/zinc/46/88/25/1025468825.db2.gz SKLYFBBSVRBRIK-AWEZNQCLSA-N 1 1 315.417 3.842 20 30 DHEDMO Cc1cnc([C@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)s1 ZINC000366074651 1025468832 /nfs/dbraw/zinc/46/88/32/1025468832.db2.gz SKLYFBBSVRBRIK-AWEZNQCLSA-N 1 1 315.417 3.842 20 30 DHEDMO C#C[C@@H](Nc1[nH+]cnc2[nH]ccc21)c1ccc(Cl)cc1F ZINC000804807491 1025477510 /nfs/dbraw/zinc/47/75/10/1025477510.db2.gz GYFBIPCWURGATO-CYBMUJFWSA-N 1 1 300.724 3.537 20 30 DHEDMO Cc1cccc(C2=CC[N@@H+](C[C@H](O)CC3(C#N)CCC3)CC2)c1 ZINC000886102356 1025506849 /nfs/dbraw/zinc/50/68/49/1025506849.db2.gz FOLJCGGAOPJXCJ-LJQANCHMSA-N 1 1 310.441 3.529 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)CCC1 ZINC000886120742 1025516972 /nfs/dbraw/zinc/51/69/72/1025516972.db2.gz MQOHGZIWKVTIRK-COQIJWMOSA-N 1 1 310.441 3.609 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CCC1 ZINC000886192081 1025554647 /nfs/dbraw/zinc/55/46/47/1025554647.db2.gz GPPCZQJXFQRQOG-IYWMVGAKSA-N 1 1 324.468 3.842 20 30 DHEDMO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCC1CC1 ZINC000355037130 1025588739 /nfs/dbraw/zinc/58/87/39/1025588739.db2.gz KWWIVKTVRYFSPQ-UHFFFAOYSA-N 1 1 319.836 3.662 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000886353836 1025598791 /nfs/dbraw/zinc/59/87/91/1025598791.db2.gz QZOVXWZXVKINHI-KRWDZBQOSA-N 1 1 318.420 3.784 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143544163 1025599913 /nfs/dbraw/zinc/59/99/13/1025599913.db2.gz BTJZLAWQJNFNSI-NSHDSACASA-N 1 1 316.298 3.850 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143544163 1025599935 /nfs/dbraw/zinc/59/99/35/1025599935.db2.gz BTJZLAWQJNFNSI-NSHDSACASA-N 1 1 316.298 3.850 20 30 DHEDMO C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000886355987 1025602665 /nfs/dbraw/zinc/60/26/65/1025602665.db2.gz RDCJAQIWWYQWCD-LSDHHAIUSA-N 1 1 318.848 3.629 20 30 DHEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000886355987 1025602669 /nfs/dbraw/zinc/60/26/69/1025602669.db2.gz RDCJAQIWWYQWCD-LSDHHAIUSA-N 1 1 318.848 3.629 20 30 DHEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000886358461 1025603563 /nfs/dbraw/zinc/60/35/63/1025603563.db2.gz VFQZFJVJATUIIP-CHWSQXEVSA-N 1 1 315.804 3.796 20 30 DHEDMO COCC[N@H+](Cc1ccc(SC)o1)Cc1ccc(C#N)cc1 ZINC000893959455 1025628372 /nfs/dbraw/zinc/62/83/72/1025628372.db2.gz VCUHOALBIQFMSN-UHFFFAOYSA-N 1 1 316.426 3.522 20 30 DHEDMO COCC[N@@H+](Cc1ccc(SC)o1)Cc1ccc(C#N)cc1 ZINC000893959455 1025628376 /nfs/dbraw/zinc/62/83/76/1025628376.db2.gz VCUHOALBIQFMSN-UHFFFAOYSA-N 1 1 316.426 3.522 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC000130726006 1025665913 /nfs/dbraw/zinc/66/59/13/1025665913.db2.gz IZBUBPRFBSAATJ-UHFFFAOYSA-N 1 1 303.425 3.668 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000614160920 1025778650 /nfs/dbraw/zinc/77/86/50/1025778650.db2.gz UJAUUNWHMGVKNH-MRXNPFEDSA-N 1 1 308.429 3.590 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000614160920 1025778665 /nfs/dbraw/zinc/77/86/65/1025778665.db2.gz UJAUUNWHMGVKNH-MRXNPFEDSA-N 1 1 308.429 3.590 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000614160920 1025778681 /nfs/dbraw/zinc/77/86/81/1025778681.db2.gz UJAUUNWHMGVKNH-MRXNPFEDSA-N 1 1 308.429 3.590 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C1CCCC1 ZINC000614160666 1025781539 /nfs/dbraw/zinc/78/15/39/1025781539.db2.gz VBHDTCQUKMJCLD-UHFFFAOYSA-N 1 1 300.446 3.879 20 30 DHEDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168668 1025791906 /nfs/dbraw/zinc/79/19/06/1025791906.db2.gz ORVQBCYPIIOOSP-IBGZPJMESA-N 1 1 313.489 3.794 20 30 DHEDMO CC(C)CO[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614171277 1025800836 /nfs/dbraw/zinc/80/08/36/1025800836.db2.gz HNSAESXEVCOHPS-SFHVURJKSA-N 1 1 300.446 3.735 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000614173012 1025802014 /nfs/dbraw/zinc/80/20/14/1025802014.db2.gz BAKHSKHVSCDOAN-UHFFFAOYSA-N 1 1 312.800 3.518 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000614173012 1025802038 /nfs/dbraw/zinc/80/20/38/1025802038.db2.gz BAKHSKHVSCDOAN-UHFFFAOYSA-N 1 1 312.800 3.518 20 30 DHEDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614185895 1025831967 /nfs/dbraw/zinc/83/19/67/1025831967.db2.gz DVBRWWKYQZGOOV-KRWDZBQOSA-N 1 1 300.446 3.736 20 30 DHEDMO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCCC1 ZINC000075593859 1025847248 /nfs/dbraw/zinc/84/72/48/1025847248.db2.gz VFDZBCVQNFEAEI-UHFFFAOYSA-N 1 1 310.401 3.763 20 30 DHEDMO CC(C)[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075744919 1025853725 /nfs/dbraw/zinc/85/37/25/1025853725.db2.gz OVQMQLICDCEXBB-INIZCTEOSA-N 1 1 324.428 3.866 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(C#N)cc1 ZINC000353744612 1025886276 /nfs/dbraw/zinc/88/62/76/1025886276.db2.gz GEPVOEAHUHKIRA-SFHVURJKSA-N 1 1 319.452 3.655 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccccc1C#N ZINC000353755981 1025888140 /nfs/dbraw/zinc/88/81/40/1025888140.db2.gz ULVVLPQBRQBRSD-GOSISDBHSA-N 1 1 319.452 3.655 20 30 DHEDMO CO[C@@H](C)C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C(C)C ZINC000356104507 1025947185 /nfs/dbraw/zinc/94/71/85/1025947185.db2.gz ARRXINWAXXOHMO-LBPRGKRZSA-N 1 1 314.351 3.822 20 30 DHEDMO COc1ccc(C)[nH+]c1NCc1ccc(C#N)cc1C(F)(F)F ZINC000356104151 1025949697 /nfs/dbraw/zinc/94/96/97/1025949697.db2.gz UVOJIZQNJNHYMA-UHFFFAOYSA-N 1 1 321.302 3.901 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)n1 ZINC000356119949 1025953527 /nfs/dbraw/zinc/95/35/27/1025953527.db2.gz CMYUSXBOUBNSQJ-IBGZPJMESA-N 1 1 323.465 3.885 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)n1 ZINC000356119949 1025953538 /nfs/dbraw/zinc/95/35/38/1025953538.db2.gz CMYUSXBOUBNSQJ-IBGZPJMESA-N 1 1 323.465 3.885 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)n1 ZINC000356134670 1025960985 /nfs/dbraw/zinc/96/09/85/1025960985.db2.gz YYVYMGRGUNCXER-CYBMUJFWSA-N 1 1 315.467 3.629 20 30 DHEDMO N#Cc1csc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)n1 ZINC000356134670 1025960994 /nfs/dbraw/zinc/96/09/94/1025960994.db2.gz YYVYMGRGUNCXER-CYBMUJFWSA-N 1 1 315.467 3.629 20 30 DHEDMO C[C@@H]1SCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C ZINC000356132717 1025961395 /nfs/dbraw/zinc/96/13/95/1025961395.db2.gz VYFDHEPGNRACRP-QWRGUYRKSA-N 1 1 314.376 3.903 20 30 DHEDMO C[C@@H]1SCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C ZINC000356132717 1025961403 /nfs/dbraw/zinc/96/14/03/1025961403.db2.gz VYFDHEPGNRACRP-QWRGUYRKSA-N 1 1 314.376 3.903 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC2(O)CCCCC2)o1 ZINC000887034446 1026023188 /nfs/dbraw/zinc/02/31/88/1026023188.db2.gz VQOPXCBUXREWQS-OAHLLOKOSA-N 1 1 302.418 3.591 20 30 DHEDMO C=CCCC1(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000356386930 1026039968 /nfs/dbraw/zinc/03/99/68/1026039968.db2.gz WSDOJUGHVOBWES-SJLPKXTDSA-N 1 1 312.457 3.512 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000356507850 1026066165 /nfs/dbraw/zinc/06/61/65/1026066165.db2.gz RPXDNTZMYXIPSQ-INIZCTEOSA-N 1 1 317.820 3.548 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000356507850 1026066185 /nfs/dbraw/zinc/06/61/85/1026066185.db2.gz RPXDNTZMYXIPSQ-INIZCTEOSA-N 1 1 317.820 3.548 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000356522245 1026070085 /nfs/dbraw/zinc/07/00/85/1026070085.db2.gz IJEQUARLERDPHX-RBUKOAKNSA-N 1 1 313.441 3.785 20 30 DHEDMO Clc1ccccc1C#CC[NH+]1CCC(OC2CCC2)CC1 ZINC000419294809 1026106052 /nfs/dbraw/zinc/10/60/52/1026106052.db2.gz BQQOGAOZXSVIMB-UHFFFAOYSA-N 1 1 303.833 3.725 20 30 DHEDMO C=CC[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1cccc(C#N)c1 ZINC000092504621 1026111791 /nfs/dbraw/zinc/11/17/91/1026111791.db2.gz MEQVAQZFVNQFMS-UHFFFAOYSA-N 1 1 308.429 3.698 20 30 DHEDMO C=CC[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1cccc(C#N)c1 ZINC000092504621 1026111804 /nfs/dbraw/zinc/11/18/04/1026111804.db2.gz MEQVAQZFVNQFMS-UHFFFAOYSA-N 1 1 308.429 3.698 20 30 DHEDMO N#Cc1cc(Cl)ccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000077994984 1026112157 /nfs/dbraw/zinc/11/21/57/1026112157.db2.gz ZTDFFRODKKHQDL-UHFFFAOYSA-N 1 1 303.837 3.666 20 30 DHEDMO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C#N)o1)CCC2 ZINC000093767915 1026128294 /nfs/dbraw/zinc/12/82/94/1026128294.db2.gz FNDJWIFRKOYTRW-AWEZNQCLSA-N 1 1 301.415 3.680 20 30 DHEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(C#N)o1)CCC2 ZINC000093767915 1026128296 /nfs/dbraw/zinc/12/82/96/1026128296.db2.gz FNDJWIFRKOYTRW-AWEZNQCLSA-N 1 1 301.415 3.680 20 30 DHEDMO C=CCCC1(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000356718103 1026142987 /nfs/dbraw/zinc/14/29/87/1026142987.db2.gz XPKKFDRZUSKWBM-HOTGVXAUSA-N 1 1 304.478 3.502 20 30 DHEDMO N#CCSCCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000121888918 1026160724 /nfs/dbraw/zinc/16/07/24/1026160724.db2.gz ZJJZNKDUUKYWKE-HOTGVXAUSA-N 1 1 322.474 3.595 20 30 DHEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCC1CCCCC1 ZINC001275500766 1026162024 /nfs/dbraw/zinc/16/20/24/1026162024.db2.gz QRDXRLYOHJDAMJ-LJQANCHMSA-N 1 1 304.478 3.600 20 30 DHEDMO C[N@@H+](Cc1ccccc1)C1CCC(=NN[C@H]2CCSC2)CC1 ZINC000808000955 1026173630 /nfs/dbraw/zinc/17/36/30/1026173630.db2.gz WZBGPNKMNQJYHF-ZENAZSQFSA-N 1 1 317.502 3.512 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000245767329 1026203775 /nfs/dbraw/zinc/20/37/75/1026203775.db2.gz RBAZJKWLBFXYHD-ZTFGCOKTSA-N 1 1 316.470 3.837 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])cc1C#N ZINC000052247424 1026228345 /nfs/dbraw/zinc/22/83/45/1026228345.db2.gz ULAMECOVMJOWOH-AWEZNQCLSA-N 1 1 316.405 3.533 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@H](C3CC3)C2)c1O ZINC000808230540 1026229936 /nfs/dbraw/zinc/22/99/36/1026229936.db2.gz KGVICEZCFQMXGN-INIZCTEOSA-N 1 1 301.430 3.751 20 30 DHEDMO CN(C)c1ccccc1C[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000808785818 1026394549 /nfs/dbraw/zinc/39/45/49/1026394549.db2.gz VXRYCRZCKQUAIK-UHFFFAOYSA-N 1 1 323.440 3.525 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)oc(=O)n2C ZINC000513343619 1026483415 /nfs/dbraw/zinc/48/34/15/1026483415.db2.gz POKQSFXZRZTPIM-UHFFFAOYSA-N 1 1 322.408 3.710 20 30 DHEDMO C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(C#N)o2)C[N@H+]1Cc1ccccc1 ZINC000513498922 1026527398 /nfs/dbraw/zinc/52/73/98/1026527398.db2.gz CRDFUNNXWOWTEY-FUHWJXTLSA-N 1 1 323.440 3.542 20 30 DHEDMO C=C(C)C[N@@H+](CC)Cc1c(C)nn(-c2ccccn2)c1Cl ZINC000809538686 1026549035 /nfs/dbraw/zinc/54/90/35/1026549035.db2.gz QTJWPYYPXIDQJQ-UHFFFAOYSA-N 1 1 304.825 3.627 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1c(C)nn(-c2ccccn2)c1Cl ZINC000809538686 1026549040 /nfs/dbraw/zinc/54/90/40/1026549040.db2.gz QTJWPYYPXIDQJQ-UHFFFAOYSA-N 1 1 304.825 3.627 20 30 DHEDMO C#Cc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000809580123 1026555572 /nfs/dbraw/zinc/55/55/72/1026555572.db2.gz FSMYNEAXDHCOOK-MGPUTAFESA-N 1 1 309.384 3.769 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000809580123 1026555578 /nfs/dbraw/zinc/55/55/78/1026555578.db2.gz FSMYNEAXDHCOOK-MGPUTAFESA-N 1 1 309.384 3.769 20 30 DHEDMO C#Cc1ccc(CNCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000809603517 1026572707 /nfs/dbraw/zinc/57/27/07/1026572707.db2.gz QMALXDLLQWJERR-UHFFFAOYSA-N 1 1 318.464 3.944 20 30 DHEDMO C#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1 ZINC000809699953 1026588525 /nfs/dbraw/zinc/58/85/25/1026588525.db2.gz UXVUSYQYVWNGTC-YPAWHYETSA-N 1 1 317.432 3.672 20 30 DHEDMO C#C[C@H](C)[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1Cl ZINC000809683424 1026591648 /nfs/dbraw/zinc/59/16/48/1026591648.db2.gz CTEYHQXOUWGCKF-NSHDSACASA-N 1 1 322.239 3.658 20 30 DHEDMO C#C[C@H](C)[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000809682935 1026591959 /nfs/dbraw/zinc/59/19/59/1026591959.db2.gz IWWAOTDVMFGCJS-JTQLQIEISA-N 1 1 321.243 3.684 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000809728505 1026595666 /nfs/dbraw/zinc/59/56/66/1026595666.db2.gz ADTRIPNMTRUWSC-HXUWFJFHSA-N 1 1 320.440 3.769 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCCN(c3ccccc3F)CC2)cc1 ZINC000809712566 1026602132 /nfs/dbraw/zinc/60/21/32/1026602132.db2.gz QPLDOZDBPJNNSN-UHFFFAOYSA-N 1 1 308.400 3.519 20 30 DHEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc(F)cc1O ZINC000810250123 1026729717 /nfs/dbraw/zinc/72/97/17/1026729717.db2.gz FSHRNFXPQLVGKC-MRXNPFEDSA-N 1 1 314.360 3.652 20 30 DHEDMO Cc1nc2c(s1)CCC[C@@H]2C[N@H+](C)Cc1cccc(C#N)c1 ZINC000366469132 1026767797 /nfs/dbraw/zinc/76/77/97/1026767797.db2.gz SYGONGDZFQUAMW-MRXNPFEDSA-N 1 1 311.454 3.875 20 30 DHEDMO CC[N@H+]1CCc2c(cccc2NCc2ccc(OC)c(C#N)c2)C1 ZINC000366555654 1026788243 /nfs/dbraw/zinc/78/82/43/1026788243.db2.gz PRQAJHGQUYKHIK-UHFFFAOYSA-N 1 1 321.424 3.557 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C[C@H]2C[C@@H](O)C2)C(C)(C)C)cc1 ZINC000420941718 1026897469 /nfs/dbraw/zinc/89/74/69/1026897469.db2.gz UCPFFXLBQAAWSI-CALCHBBNSA-N 1 1 303.446 3.623 20 30 DHEDMO N#Cc1c(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)cn2ccccc12 ZINC000420943259 1026898535 /nfs/dbraw/zinc/89/85/35/1026898535.db2.gz ICNPPSFVMNACFN-CYBMUJFWSA-N 1 1 321.346 3.975 20 30 DHEDMO N#Cc1c(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cn2ccccc12 ZINC000420943259 1026898543 /nfs/dbraw/zinc/89/85/43/1026898543.db2.gz ICNPPSFVMNACFN-CYBMUJFWSA-N 1 1 321.346 3.975 20 30 DHEDMO N#Cc1ccc(CNC[C@H]2CCC[N@H+]2C2CCCCC2)cc1F ZINC000421375674 1026969417 /nfs/dbraw/zinc/96/94/17/1026969417.db2.gz DTXOVUFNPGUJCR-GOSISDBHSA-N 1 1 315.436 3.584 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](O)CC23CCC3)cc1Cl ZINC000421376987 1026970291 /nfs/dbraw/zinc/97/02/91/1026970291.db2.gz SKKKVWADGMMYCW-OAHLLOKOSA-N 1 1 321.848 3.784 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCCCC2=NNC[C@H]2CCSC2)C1 ZINC000811658274 1027044789 /nfs/dbraw/zinc/04/47/89/1027044789.db2.gz DWPMHTXDUUZRGX-KYHPRHEASA-N 1 1 323.550 3.606 20 30 DHEDMO Cc1[nH+]ccn1-c1ncccc1CNc1ccc(C#N)c(Cl)c1 ZINC000811825538 1027105161 /nfs/dbraw/zinc/10/51/61/1027105161.db2.gz KKGSOFGHYCWJCX-UHFFFAOYSA-N 1 1 323.787 3.713 20 30 DHEDMO N#Cc1csc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000571364965 1027125686 /nfs/dbraw/zinc/12/56/86/1027125686.db2.gz GSIOLOLCZNPGJP-QYZOEREBSA-N 1 1 324.449 3.624 20 30 DHEDMO COc1cccc([C@@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000571837586 1027151889 /nfs/dbraw/zinc/15/18/89/1027151889.db2.gz OZGOYVAKLIJNRA-MRXNPFEDSA-N 1 1 324.424 3.776 20 30 DHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CCOc2cccc(C#N)c2)C1 ZINC000362384818 1027176421 /nfs/dbraw/zinc/17/64/21/1027176421.db2.gz MFYGYHNWVJWQRO-DOTOQJQBSA-N 1 1 304.459 3.543 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC[C@@H](C(F)(F)F)O1 ZINC000931615396 1027189704 /nfs/dbraw/zinc/18/97/04/1027189704.db2.gz AOHPSXBLAWIRJD-KGLIPLIRSA-N 1 1 318.383 3.892 20 30 DHEDMO CO[C@]1(C(F)(F)F)CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000931687478 1027219336 /nfs/dbraw/zinc/21/93/36/1027219336.db2.gz XRBKFFVHQGCZIJ-CQSZACIVSA-N 1 1 304.356 3.504 20 30 DHEDMO CC[N@@H+](CCCCC1(C#N)CCC1)[C@@H](CO)c1ccccc1 ZINC000931701507 1027222512 /nfs/dbraw/zinc/22/25/12/1027222512.db2.gz UQZNIAVXVWCUPX-SFHVURJKSA-N 1 1 300.446 3.906 20 30 DHEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccn(C3CCCC3)n1)CC2 ZINC000562082614 1027225352 /nfs/dbraw/zinc/22/53/52/1027225352.db2.gz QSVMEJXGYBCGNE-LJQANCHMSA-N 1 1 306.413 3.647 20 30 DHEDMO Cc1ccccc1[C@H](CO)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000931745161 1027241149 /nfs/dbraw/zinc/24/11/49/1027241149.db2.gz YRRKFPXJKDURER-SFHVURJKSA-N 1 1 300.446 3.824 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCS[C@@H](C(F)(F)F)C2)CCC1 ZINC000932073372 1027356582 /nfs/dbraw/zinc/35/65/82/1027356582.db2.gz NKEDVTQVNSDXAR-GFCCVEGCSA-N 1 1 306.397 3.830 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCS[C@H](C(F)(F)F)C2)CCC1 ZINC000932073375 1027357096 /nfs/dbraw/zinc/35/70/96/1027357096.db2.gz NKEDVTQVNSDXAR-LBPRGKRZSA-N 1 1 306.397 3.830 20 30 DHEDMO Cn1ccc([C@H]2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)n1 ZINC000932135630 1027376406 /nfs/dbraw/zinc/37/64/06/1027376406.db2.gz DOMBBZIUHHHFCQ-KRWDZBQOSA-N 1 1 322.456 3.601 20 30 DHEDMO C=CCSc1ccccc1C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000362830099 1027406896 /nfs/dbraw/zinc/40/68/96/1027406896.db2.gz YPVHTSYXSJMUBQ-HUUCEWRRSA-N 1 1 318.486 3.519 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)c(F)c1 ZINC000932202278 1027409851 /nfs/dbraw/zinc/40/98/51/1027409851.db2.gz IJTHYYMXEBTIDO-AWEZNQCLSA-N 1 1 315.417 3.609 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932200142 1027411199 /nfs/dbraw/zinc/41/11/99/1027411199.db2.gz CLBIYKFKAHDIKS-INIZCTEOSA-N 1 1 311.454 3.778 20 30 DHEDMO C#C[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1O)c1ccc(F)cc1 ZINC000812794118 1027423269 /nfs/dbraw/zinc/42/32/69/1027423269.db2.gz RLTAXSXLANBVQL-HNNXBMFYSA-N 1 1 319.763 3.657 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812847302 1027442434 /nfs/dbraw/zinc/44/24/34/1027442434.db2.gz ANDAHQBFBHWCLX-JXFKEZNVSA-N 1 1 308.425 3.811 20 30 DHEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812849608 1027447002 /nfs/dbraw/zinc/44/70/02/1027447002.db2.gz OSCRPMFIEHLUKA-OXQOHEQNSA-N 1 1 311.400 3.621 20 30 DHEDMO CCC(CC)[N@@H+](CC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000575020954 1027447225 /nfs/dbraw/zinc/44/72/25/1027447225.db2.gz JOKCXHURKKAWHE-SFHVURJKSA-N 1 1 313.445 3.564 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812852813 1027448149 /nfs/dbraw/zinc/44/81/49/1027448149.db2.gz KTNRIALKNQNHDU-OXJNMPFZSA-N 1 1 308.425 3.811 20 30 DHEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812852256 1027448214 /nfs/dbraw/zinc/44/82/14/1027448214.db2.gz DYEIWWVTAGIQJY-OXQOHEQNSA-N 1 1 308.425 3.697 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)c(OC)c1 ZINC000362925314 1027448964 /nfs/dbraw/zinc/44/89/64/1027448964.db2.gz SCCBWDIKXHABPP-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812851984 1027449305 /nfs/dbraw/zinc/44/93/05/1027449305.db2.gz CGZONBDQGWPVGQ-KUHUBIRLSA-N 1 1 312.388 3.641 20 30 DHEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812852254 1027450158 /nfs/dbraw/zinc/45/01/58/1027450158.db2.gz DYEIWWVTAGIQJY-JXFKEZNVSA-N 1 1 308.425 3.697 20 30 DHEDMO C=CCCCCCCCCC[N@@H+]1CC[C@@]2(CCN(C)C2=O)C1 ZINC001275803203 1027461002 /nfs/dbraw/zinc/46/10/02/1027461002.db2.gz DNXCHDCYWVPAEA-IBGZPJMESA-N 1 1 306.494 3.847 20 30 DHEDMO Cc1cc(CN2CCC[N@@H+](Cc3ccccc3)CC2)ccc1C#N ZINC000362959584 1027467470 /nfs/dbraw/zinc/46/74/70/1027467470.db2.gz BHFBQDVIMAUVGK-UHFFFAOYSA-N 1 1 319.452 3.575 20 30 DHEDMO Cc1cc(C[N@@H+]2CCCN(Cc3ccccc3)CC2)ccc1C#N ZINC000362959584 1027467476 /nfs/dbraw/zinc/46/74/76/1027467476.db2.gz BHFBQDVIMAUVGK-UHFFFAOYSA-N 1 1 319.452 3.575 20 30 DHEDMO Cc1cc(C[N@H+]2CCCN(Cc3ccccc3)CC2)ccc1C#N ZINC000362959584 1027467483 /nfs/dbraw/zinc/46/74/83/1027467483.db2.gz BHFBQDVIMAUVGK-UHFFFAOYSA-N 1 1 319.452 3.575 20 30 DHEDMO COc1ccc(C[N@H+](Cc2ccccn2)CC(C)C)cc1C#N ZINC000932445355 1027500083 /nfs/dbraw/zinc/50/00/83/1027500083.db2.gz DNOOBWFNRGWUKV-UHFFFAOYSA-N 1 1 309.413 3.620 20 30 DHEDMO C=CCCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000363196693 1027555607 /nfs/dbraw/zinc/55/56/07/1027555607.db2.gz UICSJGMVDSGPCI-MOPGFXCFSA-N 1 1 312.457 3.608 20 30 DHEDMO CCc1ccccc1[C@H]([NH3+])CN[C@H](CC)c1ccc(C#N)cc1 ZINC000423498345 1027564025 /nfs/dbraw/zinc/56/40/25/1027564025.db2.gz IAOVDSTZADZNFW-WOJBJXKFSA-N 1 1 307.441 3.861 20 30 DHEDMO CC1(C)C[N@H+](Cc2ccc(C#N)c(F)c2)Cc2ccccc2O1 ZINC000576618325 1027637899 /nfs/dbraw/zinc/63/78/99/1027637899.db2.gz OMGNYNWSWHSFKX-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)Cc2ccccc2O1 ZINC000576618325 1027637908 /nfs/dbraw/zinc/63/79/08/1027637908.db2.gz OMGNYNWSWHSFKX-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC000933046812 1027665270 /nfs/dbraw/zinc/66/52/70/1027665270.db2.gz WSADFBJJSCMVTE-CRAIPNDOSA-N 1 1 321.465 3.544 20 30 DHEDMO CC#CC[N@@H+](C)CCCCOc1ccc(Br)cc1 ZINC001170710941 1027693267 /nfs/dbraw/zinc/69/32/67/1027693267.db2.gz LFLYQMQKDWPUJQ-UHFFFAOYSA-N 1 1 310.235 3.563 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+]2C[C@@H]2CCC(C)=C[C@@H]2C)C1=O ZINC001275854690 1027734964 /nfs/dbraw/zinc/73/49/64/1027734964.db2.gz QLGOVQYVLVZFEQ-CMKODMSKSA-N 1 1 316.489 3.622 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)cc1OC ZINC000448353180 1027749767 /nfs/dbraw/zinc/74/97/67/1027749767.db2.gz GMORVBSHBNBVQV-SFHVURJKSA-N 1 1 319.445 3.507 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)cc1OC ZINC000448353180 1027749786 /nfs/dbraw/zinc/74/97/86/1027749786.db2.gz GMORVBSHBNBVQV-SFHVURJKSA-N 1 1 319.445 3.507 20 30 DHEDMO COc1ccc(C[N@@H+](CC#Cc2ccc(F)cc2)C2CC2)cc1 ZINC000448371997 1027771315 /nfs/dbraw/zinc/77/13/15/1027771315.db2.gz FXVAJPXGBLMXFA-UHFFFAOYSA-N 1 1 309.384 3.850 20 30 DHEDMO N#Cc1ccc(C2CC[NH+](Cc3ncc(C4CC4)o3)CC2)cc1 ZINC000933611601 1027772848 /nfs/dbraw/zinc/77/28/48/1027772848.db2.gz SHBHCNYHVJSSSF-UHFFFAOYSA-N 1 1 307.397 3.803 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@H+](CCCCC3(C#N)CCC3)CCO2)cc1 ZINC000933631749 1027779443 /nfs/dbraw/zinc/77/94/43/1027779443.db2.gz LBKCGXOYFBLQOB-LJQANCHMSA-N 1 1 323.440 3.796 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@@H+](CCCCC3(C#N)CCC3)CCO2)cc1 ZINC000933631749 1027779465 /nfs/dbraw/zinc/77/94/65/1027779465.db2.gz LBKCGXOYFBLQOB-LJQANCHMSA-N 1 1 323.440 3.796 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@H+]([C@H]3CCc4ccccc43)CCO2)cc1 ZINC000933627644 1027779758 /nfs/dbraw/zinc/77/97/58/1027779758.db2.gz GWZLGVUSBDDBOT-VQTJNVASSA-N 1 1 304.393 3.619 20 30 DHEDMO C=CCCCNC(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000448388854 1027779875 /nfs/dbraw/zinc/77/98/75/1027779875.db2.gz QHGUEFGPBJVTLW-UHFFFAOYSA-N 1 1 323.525 3.742 20 30 DHEDMO C=C[C@H](CC)CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000933815409 1027836463 /nfs/dbraw/zinc/83/64/63/1027836463.db2.gz UUZJEHMWIBQLJP-IEBWSBKVSA-N 1 1 314.473 3.569 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000778230195 1027935706 /nfs/dbraw/zinc/93/57/06/1027935706.db2.gz FRVICPJMILGLFW-INIZCTEOSA-N 1 1 315.461 3.512 20 30 DHEDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(F)c(C#N)c2Cl)C1 ZINC000365469141 1027951261 /nfs/dbraw/zinc/95/12/61/1027951261.db2.gz VWMJKVQGXAUWLN-LBPRGKRZSA-N 1 1 310.800 3.599 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2C)nc1 ZINC000934343212 1027974104 /nfs/dbraw/zinc/97/41/04/1027974104.db2.gz IEJYSEMXPOQIOM-IBGZPJMESA-N 1 1 307.397 3.607 20 30 DHEDMO CC(C)(CC#N)C[NH2+]Cc1ncc(Br)cc1Cl ZINC000601128031 1027997145 /nfs/dbraw/zinc/99/71/45/1027997145.db2.gz ZERRLRBQBRDIGO-UHFFFAOYSA-N 1 1 316.630 3.527 20 30 DHEDMO Cc1c[nH+]cn1C1CCN(c2ncc(C#N)c3ccsc32)CC1 ZINC000601158625 1028006362 /nfs/dbraw/zinc/00/63/62/1028006362.db2.gz XTDYVHFWNSCEOL-UHFFFAOYSA-N 1 1 323.425 3.514 20 30 DHEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000934473205 1028015088 /nfs/dbraw/zinc/01/50/88/1028015088.db2.gz XWEBYSICUDMFHV-WMLDXEAASA-N 1 1 300.446 3.789 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000934473205 1028015098 /nfs/dbraw/zinc/01/50/98/1028015098.db2.gz XWEBYSICUDMFHV-WMLDXEAASA-N 1 1 300.446 3.789 20 30 DHEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cnn(CC2CCC2)c1 ZINC000934552475 1028035072 /nfs/dbraw/zinc/03/50/72/1028035072.db2.gz PPNYBKJBSCHIKS-CYBMUJFWSA-N 1 1 312.392 3.545 20 30 DHEDMO C=CCCC[N@H+](CC)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000934648471 1028064900 /nfs/dbraw/zinc/06/49/00/1028064900.db2.gz QKAHFFVKZVBHJM-UHFFFAOYSA-N 1 1 311.385 3.870 20 30 DHEDMO CC1CCC([N@H+](Cc2ccc(C#N)cn2)C[C@@H]2CCCO2)CC1 ZINC000578140041 1028068289 /nfs/dbraw/zinc/06/82/89/1028068289.db2.gz ZSAVIVUFXBBKFC-PPSBMQLTSA-N 1 1 313.445 3.513 20 30 DHEDMO CCOc1ccc(CC[N@@H+](C)Cc2ccc(OCC#N)cc2)cc1 ZINC000934727346 1028095744 /nfs/dbraw/zinc/09/57/44/1028095744.db2.gz UHDYCZCJJWOMPZ-UHFFFAOYSA-N 1 1 324.424 3.662 20 30 DHEDMO CCc1ccc([C@H]2C[N@H+](CCCC#N)CCN2CCCC#N)cc1 ZINC000366993064 1028120404 /nfs/dbraw/zinc/12/04/04/1028120404.db2.gz AKOAPIYNXQATDB-HXUWFJFHSA-N 1 1 324.472 3.515 20 30 DHEDMO CCc1ccc([C@H]2C[N@@H+](CCCC#N)CCN2CCCC#N)cc1 ZINC000366993064 1028120411 /nfs/dbraw/zinc/12/04/11/1028120411.db2.gz AKOAPIYNXQATDB-HXUWFJFHSA-N 1 1 324.472 3.515 20 30 DHEDMO CCc1ccc([C@H]2CN(CCCC#N)CC[N@@H+]2CCCC#N)cc1 ZINC000366993064 1028120414 /nfs/dbraw/zinc/12/04/14/1028120414.db2.gz AKOAPIYNXQATDB-HXUWFJFHSA-N 1 1 324.472 3.515 20 30 DHEDMO CCc1ccc([C@H]2CN(CCCC#N)CC[N@H+]2CCCC#N)cc1 ZINC000366993064 1028120419 /nfs/dbraw/zinc/12/04/19/1028120419.db2.gz AKOAPIYNXQATDB-HXUWFJFHSA-N 1 1 324.472 3.515 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814674940 1028148519 /nfs/dbraw/zinc/14/85/19/1028148519.db2.gz ZFUASAWMNZOMNW-HOTGVXAUSA-N 1 1 308.466 3.532 20 30 DHEDMO Cc1cc(C)nc(N=NC2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000814681677 1028151090 /nfs/dbraw/zinc/15/10/90/1028151090.db2.gz XNCMNYVWBJQEPL-MRXNPFEDSA-N 1 1 323.444 3.546 20 30 DHEDMO CC1(C)[C@@H]2C[C@H]([N@H+]3CCC[C@H](Oc4cccc(C#N)c4)C3)C[C@@H]21 ZINC001170760750 1028179358 /nfs/dbraw/zinc/17/93/58/1028179358.db2.gz JBJBVXOXZWONDD-KANFNMMFSA-N 1 1 310.441 3.836 20 30 DHEDMO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(C#N)cc2Cl)c1C ZINC000578588079 1028188868 /nfs/dbraw/zinc/18/88/68/1028188868.db2.gz CHEXTNSNEKFHIC-LLVKDONJSA-N 1 1 316.836 3.896 20 30 DHEDMO CC(N=Nc1cc(F)cc(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000814813204 1028221511 /nfs/dbraw/zinc/22/15/11/1028221511.db2.gz KMRNVUHSKWRVHR-UHFFFAOYSA-N 1 1 303.356 3.863 20 30 DHEDMO CC1(C)[C@@H]2C[C@@H]([N@H+]3CCC[C@@H](Oc4ccc(C#N)cc4)C3)C[C@@H]21 ZINC001170767311 1028232480 /nfs/dbraw/zinc/23/24/80/1028232480.db2.gz RICJRNMVCICBHS-OWYHZJEWSA-N 1 1 310.441 3.836 20 30 DHEDMO Cc1ccc(N=NC2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)nc1 ZINC000814831561 1028237821 /nfs/dbraw/zinc/23/78/21/1028237821.db2.gz HOJCIVNFVROCBD-MRXNPFEDSA-N 1 1 308.429 3.842 20 30 DHEDMO C[N@@H+](CC#Cc1ccccc1)C1CCN(c2ccccc2)CC1 ZINC000367982992 1028269198 /nfs/dbraw/zinc/26/91/98/1028269198.db2.gz MDFDTXQUUYGUOI-UHFFFAOYSA-N 1 1 304.437 3.639 20 30 DHEDMO C=CCCCC[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000579076005 1028315775 /nfs/dbraw/zinc/31/57/75/1028315775.db2.gz NFASSCAEVAUMMD-UHFFFAOYSA-N 1 1 314.473 3.510 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815086093 1028357039 /nfs/dbraw/zinc/35/70/39/1028357039.db2.gz KEAKNZNNUBXFNH-QGZVFWFLSA-N 1 1 311.381 3.790 20 30 DHEDMO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449094962 1028369181 /nfs/dbraw/zinc/36/91/81/1028369181.db2.gz VGVLGJRRCVHKGL-GIOYIUAESA-N 1 1 305.510 3.805 20 30 DHEDMO C=CC[C@@H]([NH2+]Cc1ncc(CSC)s1)c1ccncc1 ZINC000815124681 1028369124 /nfs/dbraw/zinc/36/91/24/1028369124.db2.gz HTXWQKFBTBBQPQ-CQSZACIVSA-N 1 1 305.472 3.808 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000368591371 1028380441 /nfs/dbraw/zinc/38/04/41/1028380441.db2.gz HELIPKFTZJYRKB-DYESRHJHSA-N 1 1 320.436 3.993 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)cc1 ZINC000368636900 1028390113 /nfs/dbraw/zinc/39/01/13/1028390113.db2.gz IZWIBALXZPRZGG-HZPDHXFCSA-N 1 1 322.408 3.761 20 30 DHEDMO Cc1ccc2c(c1)C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C(C)(C)C2 ZINC000815186584 1028408419 /nfs/dbraw/zinc/40/84/19/1028408419.db2.gz QAFLNDMSTVTDGD-FQEVSTJZSA-N 1 1 320.436 3.737 20 30 DHEDMO CC(C)c1nccn1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000369032378 1028437963 /nfs/dbraw/zinc/43/79/63/1028437963.db2.gz JIXAYFDTCNJBPE-SFHVURJKSA-N 1 1 308.429 3.715 20 30 DHEDMO C[N@H+]1CC[C@H](CNc2cccc(F)c2C#N)[C@H]1c1cccs1 ZINC000369559978 1028502102 /nfs/dbraw/zinc/50/21/02/1028502102.db2.gz DWRWUGMIAHJOHS-PXAZEXFGSA-N 1 1 315.417 3.864 20 30 DHEDMO C[N@H+]1CC[C@H](CNc2ccc(C#N)cc2F)[C@@H]1c1cccs1 ZINC000369562012 1028502367 /nfs/dbraw/zinc/50/23/67/1028502367.db2.gz VVGQHXGQJHPSEM-CXAGYDPISA-N 1 1 315.417 3.864 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000369677398 1028519832 /nfs/dbraw/zinc/51/98/32/1028519832.db2.gz WXEGJZCFAHJJGS-PZJWPPBQSA-N 1 1 318.420 3.836 20 30 DHEDMO C=C[C@@H](CC(=O)N1CCC(n2c[nH+]cc2C)CC1)c1ccccc1 ZINC000369781772 1028529998 /nfs/dbraw/zinc/52/99/98/1028529998.db2.gz AOZLOCUTEHMGHP-KRWDZBQOSA-N 1 1 323.440 3.715 20 30 DHEDMO CC[N@H+](Cc1ccc(F)cc1C#N)C[C@H](O)c1ccc(C)cc1 ZINC000076015741 1028548849 /nfs/dbraw/zinc/54/88/49/1028548849.db2.gz RSZLKJBLUHCQFG-IBGZPJMESA-N 1 1 312.388 3.561 20 30 DHEDMO CC[N@H+](Cc1ccc(F)cc1C#N)C[C@@H](O)c1ccc(C)cc1 ZINC000076015742 1028549577 /nfs/dbraw/zinc/54/95/77/1028549577.db2.gz RSZLKJBLUHCQFG-LJQANCHMSA-N 1 1 312.388 3.561 20 30 DHEDMO Cc1ccccc1C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000565427000 1028585791 /nfs/dbraw/zinc/58/57/91/1028585791.db2.gz KHDAMUGJCPLMRG-UHFFFAOYSA-N 1 1 321.380 3.940 20 30 DHEDMO Cc1ccccc1C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000565427000 1028585800 /nfs/dbraw/zinc/58/58/00/1028585800.db2.gz KHDAMUGJCPLMRG-UHFFFAOYSA-N 1 1 321.380 3.940 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCCC[C@H](COC)C1 ZINC000779170627 1028601990 /nfs/dbraw/zinc/60/19/90/1028601990.db2.gz DOKFJWINOBAGPG-HNNXBMFYSA-N 1 1 321.848 3.601 20 30 DHEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCN(c2ccccc2)CC1 ZINC000370641022 1028629235 /nfs/dbraw/zinc/62/92/35/1028629235.db2.gz XEHWKJXCXGAMFC-UHFFFAOYSA-N 1 1 323.415 3.798 20 30 DHEDMO CS[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000449444435 1028643324 /nfs/dbraw/zinc/64/33/24/1028643324.db2.gz AGGIONUSXGDCLE-GFCCVEGCSA-N 1 1 300.349 3.514 20 30 DHEDMO C=CCCCC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000565922355 1028652768 /nfs/dbraw/zinc/65/27/68/1028652768.db2.gz JCZJPFYTNKLLQU-LJQANCHMSA-N 1 1 314.473 3.761 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000449458746 1028661024 /nfs/dbraw/zinc/66/10/24/1028661024.db2.gz WQLUJZWAHVPGDA-XUVXKRRUSA-N 1 1 315.457 3.767 20 30 DHEDMO CC(C)c1[nH+]c(CN2CCC(CCC#N)CC2)c2ccccn21 ZINC000566072505 1028673608 /nfs/dbraw/zinc/67/36/08/1028673608.db2.gz CPBGPUZELYHIFK-UHFFFAOYSA-N 1 1 310.445 3.973 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000371331371 1028691474 /nfs/dbraw/zinc/69/14/74/1028691474.db2.gz HEPMLOIGUBARFF-KRWDZBQOSA-N 1 1 309.413 3.619 20 30 DHEDMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](CCCCC#N)C[C@H](C)C2 ZINC000371363037 1028695668 /nfs/dbraw/zinc/69/56/68/1028695668.db2.gz ZAOZEECNMNMLDG-CABCVRRESA-N 1 1 316.445 3.953 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCSC[C@@H]2C2CC2)cc1OC ZINC000449528771 1028757846 /nfs/dbraw/zinc/75/78/46/1028757846.db2.gz RUYCTKBCEIEJEL-MRXNPFEDSA-N 1 1 319.470 3.587 20 30 DHEDMO CC1CC[NH+](CC2CCN(Cc3ccc(C#N)s3)CC2)CC1 ZINC000372392094 1028846019 /nfs/dbraw/zinc/84/60/19/1028846019.db2.gz TYHWPOOQSVIZIH-UHFFFAOYSA-N 1 1 317.502 3.564 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000077381828 1028848875 /nfs/dbraw/zinc/84/88/75/1028848875.db2.gz FJBFGYBEPXKRKY-KRWDZBQOSA-N 1 1 306.365 3.624 20 30 DHEDMO C=CCC[C@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)C(=O)OCC ZINC000449658024 1028891121 /nfs/dbraw/zinc/89/11/21/1028891121.db2.gz RWHQWFRWVOENSF-OCCSQVGLSA-N 1 1 303.393 3.688 20 30 DHEDMO C[C@H]1[C@H](OC(=O)CC(C)(C)C#N)CCC[N@H+]1Cc1ccccc1 ZINC000816472107 1028901119 /nfs/dbraw/zinc/90/11/19/1028901119.db2.gz VAECWTOVMCITNE-DOTOQJQBSA-N 1 1 314.429 3.523 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000567524814 1028910494 /nfs/dbraw/zinc/91/04/94/1028910494.db2.gz JCOLDYRGDPJDPR-LJQANCHMSA-N 1 1 310.372 3.638 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000567524814 1028910506 /nfs/dbraw/zinc/91/05/06/1028910506.db2.gz JCOLDYRGDPJDPR-LJQANCHMSA-N 1 1 310.372 3.638 20 30 DHEDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000373411359 1029037277 /nfs/dbraw/zinc/03/72/77/1029037277.db2.gz DWMZHYYUTRVVIC-OXJNMPFZSA-N 1 1 321.424 3.805 20 30 DHEDMO C[C@@H](CCC#N)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000411232477 1029076233 /nfs/dbraw/zinc/07/62/33/1029076233.db2.gz VURDTSVPGSSLEA-AWEZNQCLSA-N 1 1 314.408 3.772 20 30 DHEDMO C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411299614 1029096048 /nfs/dbraw/zinc/09/60/48/1029096048.db2.gz LENWGPDJRYFWPK-SFHVURJKSA-N 1 1 303.494 3.514 20 30 DHEDMO C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411299614 1029096068 /nfs/dbraw/zinc/09/60/68/1029096068.db2.gz LENWGPDJRYFWPK-SFHVURJKSA-N 1 1 303.494 3.514 20 30 DHEDMO C[N@H+](CC1CC1)C[C@@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000411299614 1029096083 /nfs/dbraw/zinc/09/60/83/1029096083.db2.gz LENWGPDJRYFWPK-SFHVURJKSA-N 1 1 303.494 3.514 20 30 DHEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000411299614 1029096097 /nfs/dbraw/zinc/09/60/97/1029096097.db2.gz LENWGPDJRYFWPK-SFHVURJKSA-N 1 1 303.494 3.514 20 30 DHEDMO Cc1[nH+]ccn1CCCC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000817318456 1029125104 /nfs/dbraw/zinc/12/51/04/1029125104.db2.gz AIXSVZYBPXTLDQ-SFHVURJKSA-N 1 1 324.428 3.523 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000411488598 1029140412 /nfs/dbraw/zinc/14/04/12/1029140412.db2.gz ITPHXBLLTHHEPE-ZDUSSCGKSA-N 1 1 317.385 3.759 20 30 DHEDMO C=C(C)[C@H]([NH2+]CC(=O)N1CCCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000411551954 1029156709 /nfs/dbraw/zinc/15/67/09/1029156709.db2.gz FXDXUXRCMKMZHP-UGSOOPFHSA-N 1 1 322.399 3.573 20 30 DHEDMO Cc1cc(Br)c2c(c1)C[N@H+]([C@@H](C)CCC#N)CC2 ZINC000411575194 1029161379 /nfs/dbraw/zinc/16/13/79/1029161379.db2.gz VRFDZICEYWKKHX-LBPRGKRZSA-N 1 1 307.235 3.808 20 30 DHEDMO Cc1cc(Br)c2c(c1)C[N@@H+]([C@@H](C)CCC#N)CC2 ZINC000411575194 1029161383 /nfs/dbraw/zinc/16/13/83/1029161383.db2.gz VRFDZICEYWKKHX-LBPRGKRZSA-N 1 1 307.235 3.808 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCCC[C@@H]1C ZINC000411606991 1029168082 /nfs/dbraw/zinc/16/80/82/1029168082.db2.gz CKYCJZFHUGIHCP-YJBOKZPZSA-N 1 1 313.445 3.787 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(Cl)cc1 ZINC000569269681 1029207022 /nfs/dbraw/zinc/20/70/22/1029207022.db2.gz WGNJXIODZHPFPL-UHFFFAOYSA-N 1 1 314.816 3.860 20 30 DHEDMO C=CC(C)(C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000450135602 1029219966 /nfs/dbraw/zinc/21/99/66/1029219966.db2.gz SYWMOTITJPCDRT-MRXNPFEDSA-N 1 1 306.494 3.702 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)cc1 ZINC000190962251 1029228119 /nfs/dbraw/zinc/22/81/19/1029228119.db2.gz PYVZCSGOQGUSIX-OXQOHEQNSA-N 1 1 306.409 3.677 20 30 DHEDMO COc1cc(C[NH+]2CCC(=Cc3cc(C)on3)CC2)ccc1C#N ZINC000374207552 1029238729 /nfs/dbraw/zinc/23/87/29/1029238729.db2.gz XKBQLZIOBJHFCO-UHFFFAOYSA-N 1 1 323.396 3.543 20 30 DHEDMO C=CC(C)(C)C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000450209536 1029260124 /nfs/dbraw/zinc/26/01/24/1029260124.db2.gz WSKFLZKDYAKBPS-AEFFLSMTSA-N 1 1 314.473 3.616 20 30 DHEDMO C[N@@H+](CCCC(=O)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000450226725 1029265645 /nfs/dbraw/zinc/26/56/45/1029265645.db2.gz MPAKLFZIVSWIGQ-UHFFFAOYSA-N 1 1 310.372 3.792 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)cc1 ZINC000411985096 1029269540 /nfs/dbraw/zinc/26/95/40/1029269540.db2.gz NVHYHJNJLJICGN-FQEVSTJZSA-N 1 1 306.409 3.796 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411989167 1029276924 /nfs/dbraw/zinc/27/69/24/1029276924.db2.gz PJKSQHHTZCWWJU-FQEVSTJZSA-N 1 1 318.420 3.912 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411989167 1029276938 /nfs/dbraw/zinc/27/69/38/1029276938.db2.gz PJKSQHHTZCWWJU-FQEVSTJZSA-N 1 1 318.420 3.912 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412017143 1029283852 /nfs/dbraw/zinc/28/38/52/1029283852.db2.gz XKXSCITWUSJXSO-NRFANRHFSA-N 1 1 317.432 3.892 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000817968458 1029308813 /nfs/dbraw/zinc/30/88/13/1029308813.db2.gz JNZADWXGWSTXHM-HOCLYGCPSA-N 1 1 308.853 3.611 20 30 DHEDMO C[C@@H](c1ccccc1)[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000450299086 1029331489 /nfs/dbraw/zinc/33/14/89/1029331489.db2.gz OPKDNEKJFRBTIA-HRAATJIYSA-N 1 1 320.436 3.687 20 30 DHEDMO C[N@H+](Cc1ccccc1)CC1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450344123 1029388040 /nfs/dbraw/zinc/38/80/40/1029388040.db2.gz GOTLYJFHURJRFA-UHFFFAOYSA-N 1 1 311.473 3.524 20 30 DHEDMO C[N@@H+](Cc1ccccc1)CC1CCN(CC2(C#N)CCC2)CC1 ZINC000450344123 1029388056 /nfs/dbraw/zinc/38/80/56/1029388056.db2.gz GOTLYJFHURJRFA-UHFFFAOYSA-N 1 1 311.473 3.524 20 30 DHEDMO C[N@H+](Cc1ccccc1)CC1CCN(CC2(C#N)CCC2)CC1 ZINC000450344123 1029388076 /nfs/dbraw/zinc/38/80/76/1029388076.db2.gz GOTLYJFHURJRFA-UHFFFAOYSA-N 1 1 311.473 3.524 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000570972690 1029440262 /nfs/dbraw/zinc/44/02/62/1029440262.db2.gz JDSWEORTNGKOBD-AEFFLSMTSA-N 1 1 303.446 3.767 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000374741704 1029448582 /nfs/dbraw/zinc/44/85/82/1029448582.db2.gz CQAWXVOKJJVVLI-DNVCBOLYSA-N 1 1 316.408 3.916 20 30 DHEDMO CCc1cc(CCC[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)on1 ZINC000450451129 1029486076 /nfs/dbraw/zinc/48/60/76/1029486076.db2.gz ISWXWVJMJFHRFW-PMACEKPBSA-N 1 1 323.440 3.941 20 30 DHEDMO CCc1cc(CCC[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)on1 ZINC000450451129 1029486084 /nfs/dbraw/zinc/48/60/84/1029486084.db2.gz ISWXWVJMJFHRFW-PMACEKPBSA-N 1 1 323.440 3.941 20 30 DHEDMO CC(=NN[C@@H](C)c1ccncc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000819816548 1029612568 /nfs/dbraw/zinc/61/25/68/1029612568.db2.gz KVKXDEZITBHUOS-OXJNMPFZSA-N 1 1 322.456 3.630 20 30 DHEDMO CC(=NN[C@H](C)c1ccncc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000819816549 1029613172 /nfs/dbraw/zinc/61/31/72/1029613172.db2.gz KVKXDEZITBHUOS-OXQOHEQNSA-N 1 1 322.456 3.630 20 30 DHEDMO Cc1cc(C)c(C#N)c(NC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000347317890 1029627956 /nfs/dbraw/zinc/62/79/56/1029627956.db2.gz RDEVVCJLLMYFGC-INIZCTEOSA-N 1 1 308.429 3.503 20 30 DHEDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)ccc1C#N ZINC000450958322 1029749827 /nfs/dbraw/zinc/74/98/27/1029749827.db2.gz MUOSQXSCDKMEED-VAMGGRTRSA-N 1 1 312.457 3.772 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2[C@@H](C)CCC)cc1 ZINC001168126935 1029784259 /nfs/dbraw/zinc/78/42/59/1029784259.db2.gz SLNFXZUXTPNABO-QFBILLFUSA-N 1 1 312.457 3.897 20 30 DHEDMO N#CCCC[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccccc1 ZINC000451067519 1029785676 /nfs/dbraw/zinc/78/56/76/1029785676.db2.gz XHLGCWQAEFMWMW-OAHLLOKOSA-N 1 1 312.442 3.940 20 30 DHEDMO CC[C@@H](CO)[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000451156477 1029805266 /nfs/dbraw/zinc/80/52/66/1029805266.db2.gz DWBCMYKQPDGSPU-FQEVSTJZSA-N 1 1 322.452 3.589 20 30 DHEDMO C[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451338646 1029851836 /nfs/dbraw/zinc/85/18/36/1029851836.db2.gz ZBMMVJIWEDHPTL-SFHVURJKSA-N 1 1 314.816 3.571 20 30 DHEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000451414475 1029871162 /nfs/dbraw/zinc/87/11/62/1029871162.db2.gz GOCUZMFDXXSJIZ-GXTWGEPZSA-N 1 1 321.346 3.974 20 30 DHEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000451414475 1029871169 /nfs/dbraw/zinc/87/11/69/1029871169.db2.gz GOCUZMFDXXSJIZ-GXTWGEPZSA-N 1 1 321.346 3.974 20 30 DHEDMO C=CCN(CC=C)C(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000357153605 1029915113 /nfs/dbraw/zinc/91/51/13/1029915113.db2.gz BZMHVHCOZYOTON-UHFFFAOYSA-N 1 1 300.446 3.733 20 30 DHEDMO CC[C@@H]([NH2+]Cc1ccccc1C#N)c1cccc(OC)c1OC ZINC000865757300 1030005607 /nfs/dbraw/zinc/00/56/07/1030005607.db2.gz IGSCUHZLVKXJCO-QGZVFWFLSA-N 1 1 310.397 3.816 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000451836210 1030025226 /nfs/dbraw/zinc/02/52/26/1030025226.db2.gz KUWVXBQVZOHULJ-SFHVURJKSA-N 1 1 308.381 3.757 20 30 DHEDMO N#Cc1ccc(OCC[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000451836210 1030025242 /nfs/dbraw/zinc/02/52/42/1030025242.db2.gz KUWVXBQVZOHULJ-SFHVURJKSA-N 1 1 308.381 3.757 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C)CC1 ZINC000357393768 1030030377 /nfs/dbraw/zinc/03/03/77/1030030377.db2.gz XGJZNXZJDWNJLV-CVEARBPZSA-N 1 1 320.502 3.773 20 30 DHEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc2occc2c1 ZINC001275548127 1030080235 /nfs/dbraw/zinc/08/02/35/1030080235.db2.gz BRULRFQBZASVTR-QZTJIDSGSA-N 1 1 324.424 3.574 20 30 DHEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000357528266 1030093788 /nfs/dbraw/zinc/09/37/88/1030093788.db2.gz KICWXCFRJNHMBD-IUODEOHRSA-N 1 1 319.836 3.803 20 30 DHEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCC(C)(C)CC2)c(C#N)c1C ZINC000357772754 1030182500 /nfs/dbraw/zinc/18/25/00/1030182500.db2.gz CUDKBDGWVCSQLZ-CYBMUJFWSA-N 1 1 317.433 3.607 20 30 DHEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC000823069554 1030201761 /nfs/dbraw/zinc/20/17/61/1030201761.db2.gz PLPLOXHETVRIDC-NSHDSACASA-N 1 1 311.172 3.737 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](CC)C1 ZINC000533224679 1030204424 /nfs/dbraw/zinc/20/44/24/1030204424.db2.gz WPTVHKKFBMGFOI-HOTGVXAUSA-N 1 1 320.502 3.773 20 30 DHEDMO C[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1cccc(C#N)c1O ZINC000866295587 1030212246 /nfs/dbraw/zinc/21/22/46/1030212246.db2.gz GTNLMHLZQBXXGB-BDJLRTHQSA-N 1 1 312.344 3.577 20 30 DHEDMO COc1ccc(C2([NH2+][C@H](C)c3cccc(C#N)c3O)CC2)cc1 ZINC000866319804 1030226515 /nfs/dbraw/zinc/22/65/15/1030226515.db2.gz KPPORSLOQQVXNM-CYBMUJFWSA-N 1 1 308.381 3.612 20 30 DHEDMO Cc1cccc([C@H](c2noc([C@@H]([NH3+])CCCC#N)n2)C(C)C)c1 ZINC000823209850 1030229381 /nfs/dbraw/zinc/22/93/81/1030229381.db2.gz JPOSNCZMWXBZJX-JKSUJKDBSA-N 1 1 312.417 3.860 20 30 DHEDMO COCC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc(C)o1 ZINC000866337438 1030237758 /nfs/dbraw/zinc/23/77/58/1030237758.db2.gz RUSMIJJHJBIYJZ-CZUORRHYSA-N 1 1 314.385 3.594 20 30 DHEDMO C[C@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1cccc(C#N)c1O ZINC000866365723 1030260052 /nfs/dbraw/zinc/26/00/52/1030260052.db2.gz ZSZWZBKWXYFSQZ-JTQLQIEISA-N 1 1 321.302 3.528 20 30 DHEDMO CC(C)[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866394905 1030274577 /nfs/dbraw/zinc/27/45/77/1030274577.db2.gz XEVONIZRDMSBHY-ZOCIIQOWSA-N 1 1 324.424 3.673 20 30 DHEDMO C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1cccc(C#N)c1O ZINC000866400001 1030277716 /nfs/dbraw/zinc/27/77/16/1030277716.db2.gz UVFXWLOPOUXZCS-ACJLOTCBSA-N 1 1 307.397 3.851 20 30 DHEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823408353 1030280204 /nfs/dbraw/zinc/28/02/04/1030280204.db2.gz CXDOIPPLRNKTML-HNNXBMFYSA-N 1 1 313.470 3.976 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823408353 1030280220 /nfs/dbraw/zinc/28/02/20/1030280220.db2.gz CXDOIPPLRNKTML-HNNXBMFYSA-N 1 1 313.470 3.976 20 30 DHEDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026327904 1030307937 /nfs/dbraw/zinc/30/79/37/1030307937.db2.gz BIQKROJBGVBDDO-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000026327904 1030307954 /nfs/dbraw/zinc/30/79/54/1030307954.db2.gz BIQKROJBGVBDDO-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(CF)cc2)CC1 ZINC000777555731 1030333566 /nfs/dbraw/zinc/33/35/66/1030333566.db2.gz RBRJOOMOPZVSPL-UHFFFAOYSA-N 1 1 323.415 3.740 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000533436715 1030355648 /nfs/dbraw/zinc/35/56/48/1030355648.db2.gz OFRHMAIHGDCVLF-ZDUSSCGKSA-N 1 1 324.852 3.882 20 30 DHEDMO C[C@@H](O)C[N@@H+](CC#Cc1ccccc1Cl)Cc1ccccc1 ZINC000533538608 1030418229 /nfs/dbraw/zinc/41/82/29/1030418229.db2.gz SMFGXWPMMFEJIV-MRXNPFEDSA-N 1 1 313.828 3.575 20 30 DHEDMO C=CCN(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC000558108671 1030425185 /nfs/dbraw/zinc/42/51/85/1030425185.db2.gz YLKCFOLQSSXXMU-INIZCTEOSA-N 1 1 323.868 3.550 20 30 DHEDMO CC(C)(C#N)CC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000558118113 1030430012 /nfs/dbraw/zinc/43/00/12/1030430012.db2.gz YOOBYEFLMCZYBP-UHFFFAOYSA-N 1 1 307.235 3.747 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000558118113 1030430019 /nfs/dbraw/zinc/43/00/19/1030430019.db2.gz YOOBYEFLMCZYBP-UHFFFAOYSA-N 1 1 307.235 3.747 20 30 DHEDMO Cc1cc(NCc2cc(C#N)n(C)c2)c[nH+]c1N1CCCC[C@@H]1C ZINC000358372294 1030458540 /nfs/dbraw/zinc/45/85/40/1030458540.db2.gz AUCKTXOEVDRKQT-HNNXBMFYSA-N 1 1 323.444 3.591 20 30 DHEDMO N#CCCCOc1cccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000925753542 1030483211 /nfs/dbraw/zinc/48/32/11/1030483211.db2.gz BWALLKJJKRLQCA-OALUTQOASA-N 1 1 313.445 3.798 20 30 DHEDMO Cc1ccccc1CC[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000824554230 1030578782 /nfs/dbraw/zinc/57/87/82/1030578782.db2.gz CPXLTEYQXNVYLX-KRWDZBQOSA-N 1 1 308.425 3.960 20 30 DHEDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000824611269 1030595558 /nfs/dbraw/zinc/59/55/58/1030595558.db2.gz YFAAVYRZFWIQES-UHFFFAOYSA-N 1 1 305.425 3.701 20 30 DHEDMO CCC[N@@H+](C)C[C@H]1CCN(c2c(C#N)cnc3ccc(C)cc32)C1 ZINC000291767861 1030636170 /nfs/dbraw/zinc/63/61/70/1030636170.db2.gz BNXLOQHESKOXOD-MRXNPFEDSA-N 1 1 322.456 3.583 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+](Cc3ccsc3)CC2)C1=O ZINC001275618558 1030643987 /nfs/dbraw/zinc/64/39/87/1030643987.db2.gz QUXJRMAQVMQKPB-GOSISDBHSA-N 1 1 318.486 3.529 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000246919000 1030662243 /nfs/dbraw/zinc/66/22/43/1030662243.db2.gz WEPIUCYRCQHFDB-DOTOQJQBSA-N 1 1 323.358 3.558 20 30 DHEDMO CC(C)CC[NH+]1CCC(N[C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000926318485 1030695435 /nfs/dbraw/zinc/69/54/35/1030695435.db2.gz ZBEQZYXPUDOWJF-FQEVSTJZSA-N 1 1 311.473 3.646 20 30 DHEDMO N#CCC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000926345075 1030703743 /nfs/dbraw/zinc/70/37/43/1030703743.db2.gz NNTAEKWYJIDDMI-IHWFROFDSA-N 1 1 323.484 3.856 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000825215146 1030747714 /nfs/dbraw/zinc/74/77/14/1030747714.db2.gz IXMKIIKVQBAVMH-CRAIPNDOSA-N 1 1 316.470 3.697 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000825215149 1030750006 /nfs/dbraw/zinc/75/00/06/1030750006.db2.gz IXMKIIKVQBAVMH-YJBOKZPZSA-N 1 1 316.470 3.697 20 30 DHEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc2ccccc2o1 ZINC001275641058 1030836136 /nfs/dbraw/zinc/83/61/36/1030836136.db2.gz BQOBFZARWOTJPF-QZTJIDSGSA-N 1 1 324.424 3.574 20 30 DHEDMO COc1cc(C)c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)n1 ZINC000359265538 1030874057 /nfs/dbraw/zinc/87/40/57/1030874057.db2.gz QPKXQQMRSGMYCW-UHFFFAOYSA-N 1 1 321.424 3.743 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](C)CC2)c1C#N ZINC000611346320 1030971082 /nfs/dbraw/zinc/97/10/82/1030971082.db2.gz PPSKHVSPUWQZIF-OAHLLOKOSA-N 1 1 308.429 3.674 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](C)CC2)c1C#N ZINC000611346320 1030971102 /nfs/dbraw/zinc/97/11/02/1030971102.db2.gz PPSKHVSPUWQZIF-OAHLLOKOSA-N 1 1 308.429 3.674 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000078575947 1030987575 /nfs/dbraw/zinc/98/75/75/1030987575.db2.gz OCWKDQPNEXAEOE-UHFFFAOYSA-N 1 1 317.458 3.631 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000078575947 1030987585 /nfs/dbraw/zinc/98/75/85/1030987585.db2.gz OCWKDQPNEXAEOE-UHFFFAOYSA-N 1 1 317.458 3.631 20 30 DHEDMO C=CCOCC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000339106880 1031052198 /nfs/dbraw/zinc/05/21/98/1031052198.db2.gz BGJIWTIDHUDHBY-SFHVURJKSA-N 1 1 311.429 3.806 20 30 DHEDMO C=CCOCC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000339106880 1031052216 /nfs/dbraw/zinc/05/22/16/1031052216.db2.gz BGJIWTIDHUDHBY-SFHVURJKSA-N 1 1 311.429 3.806 20 30 DHEDMO CC[C@H]1CCCC[N@@H+]1CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392850 1031055070 /nfs/dbraw/zinc/05/50/70/1031055070.db2.gz PSCDKSGGXGIYIW-AZUAARDMSA-N 1 1 311.473 3.790 20 30 DHEDMO CC[C@H]1CCCC[N@H+]1CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392850 1031055084 /nfs/dbraw/zinc/05/50/84/1031055084.db2.gz PSCDKSGGXGIYIW-AZUAARDMSA-N 1 1 311.473 3.790 20 30 DHEDMO CC(C)Oc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC000844369797 1031069886 /nfs/dbraw/zinc/06/98/86/1031069886.db2.gz NQEFUWRPASCEJF-HXUWFJFHSA-N 1 1 324.424 3.511 20 30 DHEDMO C[C@H]1CCC[N@@H+](CCCCC#N)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844397366 1031101421 /nfs/dbraw/zinc/10/14/21/1031101421.db2.gz NKQFWIZJUJFZPB-JKSUJKDBSA-N 1 1 323.481 3.696 20 30 DHEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@]1(C)Cc1cccc(Cl)c1 ZINC000844381684 1031111033 /nfs/dbraw/zinc/11/10/33/1031111033.db2.gz QTAKDAFCFVCQCD-WMLDXEAASA-N 1 1 306.837 3.666 20 30 DHEDMO CC(C)Oc1ncccc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000611586823 1031112908 /nfs/dbraw/zinc/11/29/08/1031112908.db2.gz QOYPWBKGLIVLTC-CYBMUJFWSA-N 1 1 313.376 3.730 20 30 DHEDMO C=CC[NH+]1CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC001143992899 1031159044 /nfs/dbraw/zinc/15/90/44/1031159044.db2.gz VMOLZTHESWDMBH-UHFFFAOYSA-N 1 1 318.770 3.662 20 30 DHEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000359867798 1031172109 /nfs/dbraw/zinc/17/21/09/1031172109.db2.gz BIMVGXYHRQNADB-CXAGYDPISA-N 1 1 305.853 3.516 20 30 DHEDMO CCOc1c(F)cc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1F ZINC001144025569 1031184816 /nfs/dbraw/zinc/18/48/16/1031184816.db2.gz JVVFDIDCSCWLLM-UHFFFAOYSA-N 1 1 316.351 3.867 20 30 DHEDMO C=CC[C@@H]1CCN(C(=O)c2ccc(C[N@H+](CC)CCC)cc2)C1 ZINC000628486870 1031194590 /nfs/dbraw/zinc/19/45/90/1031194590.db2.gz RZZGBGNRIXUUEX-QGZVFWFLSA-N 1 1 314.473 3.957 20 30 DHEDMO Cc1cc(C#N)ccc1C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888573487 1031216577 /nfs/dbraw/zinc/21/65/77/1031216577.db2.gz QEXARVLIJCGRAE-UHFFFAOYSA-N 1 1 320.396 3.504 20 30 DHEDMO C#CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)c1ccccc1 ZINC000273497244 1031280665 /nfs/dbraw/zinc/28/06/65/1031280665.db2.gz PKGANDRAACULLW-KSSFIOAISA-N 1 1 323.392 3.594 20 30 DHEDMO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)cn2)c1 ZINC001144163027 1031297662 /nfs/dbraw/zinc/29/76/62/1031297662.db2.gz JANDACQGZQIFQE-IBGZPJMESA-N 1 1 307.397 3.689 20 30 DHEDMO COc1cccc([C@@H]2CCCC[N@H+]2Cc2ccc(C#N)cn2)c1 ZINC001144163027 1031297670 /nfs/dbraw/zinc/29/76/70/1031297670.db2.gz JANDACQGZQIFQE-IBGZPJMESA-N 1 1 307.397 3.689 20 30 DHEDMO CCC[N@H+](CCC#N)Cc1ccc(Br)c(OC)c1 ZINC001144231941 1031366120 /nfs/dbraw/zinc/36/61/20/1031366120.db2.gz AZYOAZCOMQFXAR-UHFFFAOYSA-N 1 1 311.223 3.583 20 30 DHEDMO CCC[N@@H+](CCC#N)Cc1ccc(Br)c(OC)c1 ZINC001144231941 1031366125 /nfs/dbraw/zinc/36/61/25/1031366125.db2.gz AZYOAZCOMQFXAR-UHFFFAOYSA-N 1 1 311.223 3.583 20 30 DHEDMO C[N@H+](Cc1cnn(-c2ccccc2)c1)CC1CCC(C#N)CC1 ZINC000929185758 1031458794 /nfs/dbraw/zinc/45/87/94/1031458794.db2.gz YTKICCLPWJLOAS-UHFFFAOYSA-N 1 1 308.429 3.634 20 30 DHEDMO C=CC[N@@H+](Cc1c(C)noc1CC)Cc1ccc(OC)cc1 ZINC000929318128 1031492352 /nfs/dbraw/zinc/49/23/52/1031492352.db2.gz QSUQCZIADAPOMC-UHFFFAOYSA-N 1 1 300.402 3.742 20 30 DHEDMO C=CC[N@H+](Cc1c(C)noc1CC)Cc1ccc(OC)cc1 ZINC000929318128 1031492360 /nfs/dbraw/zinc/49/23/60/1031492360.db2.gz QSUQCZIADAPOMC-UHFFFAOYSA-N 1 1 300.402 3.742 20 30 DHEDMO C=CCCCC[N@H+](C)Cc1ccc(OCC(F)(F)F)nc1 ZINC001144356094 1031495689 /nfs/dbraw/zinc/49/56/89/1031495689.db2.gz BKCYMVVIHPKVSQ-UHFFFAOYSA-N 1 1 302.340 3.811 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2cncc(C#N)c2)[C@H](C)C2CC2)cc1 ZINC000929332481 1031495717 /nfs/dbraw/zinc/49/57/17/1031495717.db2.gz QAXTVHOKHPAAFF-OAHLLOKOSA-N 1 1 321.424 3.763 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCCC[C@H](C)C1 ZINC000360627742 1031496772 /nfs/dbraw/zinc/49/67/72/1031496772.db2.gz COTDLNPENVVURL-STQMWFEESA-N 1 1 319.836 3.661 20 30 DHEDMO Cc1cc(C[C@@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)n[nH]1 ZINC000360658483 1031508848 /nfs/dbraw/zinc/50/88/48/1031508848.db2.gz TUHNRCUGCXWZBD-BFUOFWGJSA-N 1 1 308.429 3.578 20 30 DHEDMO CCOc1ccc(C[N@@H+](Cc2cncc(C#N)c2)C(C)C)cc1 ZINC000929394014 1031511162 /nfs/dbraw/zinc/51/11/62/1031511162.db2.gz OTUMFDJOLATSRM-UHFFFAOYSA-N 1 1 309.413 3.763 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000537187426 1031532122 /nfs/dbraw/zinc/53/21/22/1031532122.db2.gz GNQFREOSTPZWQQ-SJORKVTESA-N 1 1 309.498 3.543 20 30 DHEDMO CC(C)[N@H+](C)CC1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929507299 1031536329 /nfs/dbraw/zinc/53/63/29/1031536329.db2.gz UVSUKYDNTXOXEH-UHFFFAOYSA-N 1 1 319.880 3.764 20 30 DHEDMO CC(C)[N@@H+](C)CC1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929507299 1031536338 /nfs/dbraw/zinc/53/63/38/1031536338.db2.gz UVSUKYDNTXOXEH-UHFFFAOYSA-N 1 1 319.880 3.764 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C2(c3cc(F)ccc3C)CC2)no1 ZINC000872181933 1031553673 /nfs/dbraw/zinc/55/36/73/1031553673.db2.gz SCQIXBYMTDUESV-ZDUSSCGKSA-N 1 1 321.783 3.739 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C(C)(C)c2cccc(F)c2)no1 ZINC000872181162 1031554115 /nfs/dbraw/zinc/55/41/15/1031554115.db2.gz YJVRUKRYSLGGMN-GFCCVEGCSA-N 1 1 309.772 3.677 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000872278594 1031570094 /nfs/dbraw/zinc/57/00/94/1031570094.db2.gz VFAINLQEKBVGBS-IBGZPJMESA-N 1 1 314.429 3.513 20 30 DHEDMO Cc1cc(C#N)cc(C)c1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000929690817 1031580610 /nfs/dbraw/zinc/58/06/10/1031580610.db2.gz WHUBZWSQQXNKTJ-IBGZPJMESA-N 1 1 311.473 3.625 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000360834500 1031581534 /nfs/dbraw/zinc/58/15/34/1031581534.db2.gz IPLPGMIHFOBZEQ-UFYCRDLUSA-N 1 1 309.457 3.542 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000360834500 1031581542 /nfs/dbraw/zinc/58/15/42/1031581542.db2.gz IPLPGMIHFOBZEQ-UFYCRDLUSA-N 1 1 309.457 3.542 20 30 DHEDMO COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)C[C@H](O)CC#N)cc1 ZINC000929710392 1031585709 /nfs/dbraw/zinc/58/57/09/1031585709.db2.gz PXENSODLDHWGDL-CRAIPNDOSA-N 1 1 324.424 3.630 20 30 DHEDMO Cn1cc(Br)cc1C[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929831884 1031621827 /nfs/dbraw/zinc/62/18/27/1031621827.db2.gz RGROVPORHSFROD-UHFFFAOYSA-N 1 1 324.266 3.549 20 30 DHEDMO CN(c1ccc(C#N)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388667462 1031666526 /nfs/dbraw/zinc/66/65/26/1031666526.db2.gz UFBNKWHAUWBTEN-FQEVSTJZSA-N 1 1 305.425 3.659 20 30 DHEDMO COc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1C(C)(C)C ZINC000897625395 1031749363 /nfs/dbraw/zinc/74/93/63/1031749363.db2.gz BWTHPPVVTLANOF-UHFFFAOYSA-N 1 1 315.442 3.611 20 30 DHEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1Cc1cncc(C#N)c1 ZINC000930448427 1031822689 /nfs/dbraw/zinc/82/26/89/1031822689.db2.gz DCJIMFBYLQKMMR-KXBFYZLASA-N 1 1 321.424 3.935 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[NH2+][C@@H](C)c1cncs1 ZINC000897932569 1031873462 /nfs/dbraw/zinc/87/34/62/1031873462.db2.gz NGSRFSNJUQZXAA-NSHDSACASA-N 1 1 306.818 3.659 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+](CC(C)C)CC(C)(C)C)c1=S ZINC000124570383 1031876115 /nfs/dbraw/zinc/87/61/15/1031876115.db2.gz RWHRJMGKPIXZNL-UHFFFAOYSA-N 1 1 310.511 3.870 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+](CC(C)C)CC(C)(C)C)c1=S ZINC000124570383 1031876133 /nfs/dbraw/zinc/87/61/33/1031876133.db2.gz RWHRJMGKPIXZNL-UHFFFAOYSA-N 1 1 310.511 3.870 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N(CC(C)C)C(C)C ZINC000561515080 1031944343 /nfs/dbraw/zinc/94/43/43/1031944343.db2.gz GLHXLYNSBDNZDN-UHFFFAOYSA-N 1 1 316.489 3.610 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N(CC(C)C)C(C)C ZINC000561515080 1031944357 /nfs/dbraw/zinc/94/43/57/1031944357.db2.gz GLHXLYNSBDNZDN-UHFFFAOYSA-N 1 1 316.489 3.610 20 30 DHEDMO Cn1cc(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)cc1C#N ZINC000361492324 1031952521 /nfs/dbraw/zinc/95/25/21/1031952521.db2.gz GRYTXOIQZCGOME-UHFFFAOYSA-N 1 1 311.816 3.839 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001171221281 1031958063 /nfs/dbraw/zinc/95/80/63/1031958063.db2.gz JZRPJJAQIZWPGO-FOIQADDNSA-N 1 1 324.399 3.782 20 30 DHEDMO C=CCC[C@H](C)[NH2+][C@@H](c1nccn1C)c1ccc(F)cc1F ZINC000898104326 1031962837 /nfs/dbraw/zinc/96/28/37/1031962837.db2.gz DXFPXNNLCLEGPG-BLLLJJGKSA-N 1 1 305.372 3.732 20 30 DHEDMO CCC[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H](C)c1ccccc1OC ZINC000361510991 1031963629 /nfs/dbraw/zinc/96/36/29/1031963629.db2.gz NPFFJLAVYFTIFV-HNNXBMFYSA-N 1 1 311.429 3.879 20 30 DHEDMO COc1cc(C[N@@H+](C)[C@@H](C)Cc2cccc(C#N)c2)cc(OC)c1 ZINC001171221849 1031963720 /nfs/dbraw/zinc/96/37/20/1031963720.db2.gz WAQLHLNCYTYOMJ-HNNXBMFYSA-N 1 1 324.424 3.638 20 30 DHEDMO C=CCCCCCCCCC(=O)N1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001144797884 1031968749 /nfs/dbraw/zinc/96/87/49/1031968749.db2.gz SFQGADXPOKZPLH-ZWKOTPCHSA-N 1 1 306.494 3.846 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC001171228073 1031992842 /nfs/dbraw/zinc/99/28/42/1031992842.db2.gz DRHIOWYHUCIOPH-KRWDZBQOSA-N 1 1 322.452 3.762 20 30 DHEDMO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1CCCCC1(C#N)CCC1 ZINC000930989202 1032003183 /nfs/dbraw/zinc/00/31/83/1032003183.db2.gz DUSDYZRUMPJZPX-OAHLLOKOSA-N 1 1 311.429 3.693 20 30 DHEDMO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930989202 1032003199 /nfs/dbraw/zinc/00/31/99/1032003199.db2.gz DUSDYZRUMPJZPX-OAHLLOKOSA-N 1 1 311.429 3.693 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(N(C)C(C)C)nc1 ZINC000361593237 1032004959 /nfs/dbraw/zinc/00/49/59/1032004959.db2.gz HAWYTHYGKBZIOQ-UHFFFAOYSA-N 1 1 313.445 3.750 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+](CC[C@@H]1CC1(Cl)Cl)C2 ZINC000860109211 1033302679 /nfs/dbraw/zinc/30/26/79/1033302679.db2.gz PKISRYBDVLICMP-CQSZACIVSA-N 1 1 309.240 3.695 20 30 DHEDMO C[N@@H+](CCc1ccccc1Cl)Cc1ccc(OCC#N)cc1 ZINC001137120636 1033314284 /nfs/dbraw/zinc/31/42/84/1033314284.db2.gz YIBFYJKPVIRALY-UHFFFAOYSA-N 1 1 314.816 3.917 20 30 DHEDMO COC(=O)c1cccc(C[NH2+][C@H](C)c2cccc(C)c2C)c1C#N ZINC000539288227 1033314478 /nfs/dbraw/zinc/31/44/78/1033314478.db2.gz CQVYJYQAGCLSLC-OAHLLOKOSA-N 1 1 322.408 3.813 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000877521577 1033333909 /nfs/dbraw/zinc/33/39/09/1033333909.db2.gz CZDGZVILURHMRD-CVEARBPZSA-N 1 1 323.481 3.696 20 30 DHEDMO C=C(Cl)CN1CC[N@H+](CC(=C)Cl)CC12CCCCC2 ZINC000126561757 1033338211 /nfs/dbraw/zinc/33/82/11/1033338211.db2.gz FQVMTARFQFZKKK-UHFFFAOYSA-N 1 1 303.277 3.812 20 30 DHEDMO C=C(Cl)CN1CC[N@@H+](CC(=C)Cl)CC12CCCCC2 ZINC000126561757 1033338219 /nfs/dbraw/zinc/33/82/19/1033338219.db2.gz FQVMTARFQFZKKK-UHFFFAOYSA-N 1 1 303.277 3.812 20 30 DHEDMO COC(=O)[C@@H]1CCC[C@H]([N@@H+](CCC#N)Cc2ccccc2)CC1 ZINC001172782659 1033367183 /nfs/dbraw/zinc/36/71/83/1033367183.db2.gz HYSNPPNUCLOMGS-MSOLQXFVSA-N 1 1 314.429 3.524 20 30 DHEDMO CCC[N@@H+]([C@H](C)CC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172981393 1033490634 /nfs/dbraw/zinc/49/06/34/1033490634.db2.gz VXKPOEAVVVCZLB-OAGGEKHMSA-N 1 1 323.481 3.789 20 30 DHEDMO C[C@@H]1CCCCC[N@H+]1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172983142 1033490949 /nfs/dbraw/zinc/49/09/49/1033490949.db2.gz GYHHMVGSRVJGRU-OAGGEKHMSA-N 1 1 321.465 3.543 20 30 DHEDMO C=C[C@@](C)(O)C[N@@H+](CCC)Cc1cccc(Br)c1 ZINC001252556146 1033510381 /nfs/dbraw/zinc/51/03/81/1033510381.db2.gz BATPZQPDBWULRP-OAHLLOKOSA-N 1 1 312.251 3.598 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)C1CCC(C)CC1)c1ccccc1 ZINC000877919736 1033515003 /nfs/dbraw/zinc/51/50/03/1033515003.db2.gz VMMHMIOFWVBNIR-GQOXECLESA-N 1 1 312.457 3.938 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@H](C)c1ccco1)c1ccccc1 ZINC000878002639 1033548156 /nfs/dbraw/zinc/54/81/56/1033548156.db2.gz GKSLRYSFQGIRAZ-DNVCBOLYSA-N 1 1 310.397 3.713 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@H](C)c1ccco1)c1ccccc1 ZINC000878002639 1033548163 /nfs/dbraw/zinc/54/81/63/1033548163.db2.gz GKSLRYSFQGIRAZ-DNVCBOLYSA-N 1 1 310.397 3.713 20 30 DHEDMO CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)[C@H](C)C(C)C ZINC000878001271 1033548367 /nfs/dbraw/zinc/54/83/67/1033548367.db2.gz VKKLNMGYZPBIGD-VQIMIIECSA-N 1 1 300.446 3.793 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)C1 ZINC000339022132 1033558449 /nfs/dbraw/zinc/55/84/49/1033558449.db2.gz KPDACTXJLUYEPI-ILXRZTDVSA-N 1 1 315.486 3.894 20 30 DHEDMO CC[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1cccc(C#N)c1O ZINC000924710716 1033573256 /nfs/dbraw/zinc/57/32/56/1033573256.db2.gz BQPSCOBGMUXKDO-CQSZACIVSA-N 1 1 301.777 3.553 20 30 DHEDMO C#CCCCCC[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000878164452 1033604388 /nfs/dbraw/zinc/60/43/88/1033604388.db2.gz HZPHGBQWBXPEBY-UHFFFAOYSA-N 1 1 308.466 3.511 20 30 DHEDMO N#CCC1(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)CC1 ZINC000878178357 1033614427 /nfs/dbraw/zinc/61/44/27/1033614427.db2.gz LJSUDBWCAQGRAW-KRWDZBQOSA-N 1 1 310.397 3.509 20 30 DHEDMO CCSC[C@H](C)[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001173312600 1033666168 /nfs/dbraw/zinc/66/61/68/1033666168.db2.gz UPFZWFCHSJGZPP-WMLDXEAASA-N 1 1 304.459 3.543 20 30 DHEDMO C=CCOC1CCC([N@@H+](CC)Cc2ccc3c(c2)OCO3)CC1 ZINC001173323391 1033685762 /nfs/dbraw/zinc/68/57/62/1033685762.db2.gz FIODSJQLONWZKH-UHFFFAOYSA-N 1 1 317.429 3.751 20 30 DHEDMO N#CCC1CCC([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173336536 1033691538 /nfs/dbraw/zinc/69/15/38/1033691538.db2.gz CQYQMMDGTAEAKK-DLIHROTGSA-N 1 1 323.484 3.523 20 30 DHEDMO N#CCC1CCC([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173336536 1033691547 /nfs/dbraw/zinc/69/15/47/1033691547.db2.gz CQYQMMDGTAEAKK-DLIHROTGSA-N 1 1 323.484 3.523 20 30 DHEDMO N#CCC1CCC([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173336536 1033691554 /nfs/dbraw/zinc/69/15/54/1033691554.db2.gz CQYQMMDGTAEAKK-DLIHROTGSA-N 1 1 323.484 3.523 20 30 DHEDMO C[C@]1(c2ccc(F)cc2)C[N@H+](C2CCC(CC#N)CC2)CCO1 ZINC001173337874 1033694075 /nfs/dbraw/zinc/69/40/75/1033694075.db2.gz UZGRPLOCOAUOPC-XUJQIHCRSA-N 1 1 316.420 3.846 20 30 DHEDMO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173337524 1033694670 /nfs/dbraw/zinc/69/46/70/1033694670.db2.gz NERHQOIZUFMIQK-BTRQGYIVSA-N 1 1 303.494 3.798 20 30 DHEDMO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1CCC(CC#N)CC1 ZINC001173337524 1033694675 /nfs/dbraw/zinc/69/46/75/1033694675.db2.gz NERHQOIZUFMIQK-BTRQGYIVSA-N 1 1 303.494 3.798 20 30 DHEDMO COC(=O)CC[N@@H+](Cc1ccccc1)C1CCC(CC#N)CC1 ZINC001173338688 1033694987 /nfs/dbraw/zinc/69/49/87/1033694987.db2.gz GUODPENDZFPDQO-UHFFFAOYSA-N 1 1 314.429 3.524 20 30 DHEDMO C=C1CCC(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000889913416 1033774588 /nfs/dbraw/zinc/77/45/88/1033774588.db2.gz MIVOPVBHMMIRQJ-UHFFFAOYSA-N 1 1 319.474 3.595 20 30 DHEDMO C=C1CCC(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000889913416 1033774608 /nfs/dbraw/zinc/77/46/08/1033774608.db2.gz MIVOPVBHMMIRQJ-UHFFFAOYSA-N 1 1 319.474 3.595 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596537 1033779965 /nfs/dbraw/zinc/77/99/65/1033779965.db2.gz ZXUSTWSBTVKDRK-KSTDHSDQSA-N 1 1 306.450 3.513 20 30 DHEDMO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173598289 1033783262 /nfs/dbraw/zinc/78/32/62/1033783262.db2.gz OOMUGALFNLJLJF-YBXZHIRMSA-N 1 1 303.494 3.798 20 30 DHEDMO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173598289 1033783274 /nfs/dbraw/zinc/78/32/74/1033783274.db2.gz OOMUGALFNLJLJF-YBXZHIRMSA-N 1 1 303.494 3.798 20 30 DHEDMO Cc1ccnc(O[C@H]2CCC[N@H+](C3CCC(C)(C#N)CC3)C2)c1 ZINC001173597463 1033783934 /nfs/dbraw/zinc/78/39/34/1033783934.db2.gz UTHOKUBTWNDNKX-HFCFLWKCSA-N 1 1 313.445 3.706 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173599386 1033785202 /nfs/dbraw/zinc/78/52/02/1033785202.db2.gz KVTXQOIPUXGBFD-CSLYMUCUSA-N 1 1 306.450 3.655 20 30 DHEDMO Cc1cccc(O[C@@H]2CCC[N@H+](C3CCC(C)(C#N)CC3)C2)n1 ZINC001173597412 1033785595 /nfs/dbraw/zinc/78/55/95/1033785595.db2.gz SECAKKKQBZKLGD-TVRKMHQQSA-N 1 1 313.445 3.706 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCC[C@H]2C(=O)Nc2ccccc2)CC1 ZINC001173600349 1033787408 /nfs/dbraw/zinc/78/74/08/1033787408.db2.gz BOIJXUXOGZSBTQ-HFCFLWKCSA-N 1 1 311.429 3.562 20 30 DHEDMO CC1(C#N)CCC([N@@H+]2CCn3cc(-c4ccccc4)nc3C2)CC1 ZINC001173601618 1033787733 /nfs/dbraw/zinc/78/77/33/1033787733.db2.gz WTYIAFJGKYVZBA-UHFFFAOYSA-N 1 1 320.440 3.838 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCn3cc(-c4ccccc4)nc3C2)CC1 ZINC001173601618 1033787750 /nfs/dbraw/zinc/78/77/50/1033787750.db2.gz WTYIAFJGKYVZBA-UHFFFAOYSA-N 1 1 320.440 3.838 20 30 DHEDMO CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](CCC#N)Cc2ccccc2)C1 ZINC001173635524 1033802555 /nfs/dbraw/zinc/80/25/55/1033802555.db2.gz AWRRDQMWHJOVQO-MSOLQXFVSA-N 1 1 314.429 3.524 20 30 DHEDMO C#CCCCCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000878700589 1033804198 /nfs/dbraw/zinc/80/41/98/1033804198.db2.gz FHFFVOPYDOPJSM-HNNXBMFYSA-N 1 1 317.395 3.861 20 30 DHEDMO CC(C)Oc1ccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1C#N ZINC000862302764 1033817507 /nfs/dbraw/zinc/81/75/07/1033817507.db2.gz AYGJOJRUHQNZBC-MRXNPFEDSA-N 1 1 301.434 3.630 20 30 DHEDMO CC(C)Oc1ccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1C#N ZINC000862302763 1033817623 /nfs/dbraw/zinc/81/76/23/1033817623.db2.gz AYGJOJRUHQNZBC-INIZCTEOSA-N 1 1 301.434 3.630 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000878757627 1033822527 /nfs/dbraw/zinc/82/25/27/1033822527.db2.gz QMKCOLQYERDQCC-YSIASYRMSA-N 1 1 310.441 3.692 20 30 DHEDMO C=CCCC[C@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000878779498 1033824717 /nfs/dbraw/zinc/82/47/17/1033824717.db2.gz DPSJEUAMKODXFT-MJGOQNOKSA-N 1 1 314.473 3.585 20 30 DHEDMO C=CCCC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000878779496 1033825160 /nfs/dbraw/zinc/82/51/60/1033825160.db2.gz DPSJEUAMKODXFT-HKUYNNGSSA-N 1 1 314.473 3.585 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173657290 1033825780 /nfs/dbraw/zinc/82/57/80/1033825780.db2.gz JCZUPPMVLBSELA-MSOLQXFVSA-N 1 1 301.430 3.797 20 30 DHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878887506 1033855764 /nfs/dbraw/zinc/85/57/64/1033855764.db2.gz GEXVGOGQOCWKLG-NVXWUHKLSA-N 1 1 319.399 3.764 20 30 DHEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878887506 1033855771 /nfs/dbraw/zinc/85/57/71/1033855771.db2.gz GEXVGOGQOCWKLG-NVXWUHKLSA-N 1 1 319.399 3.764 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC(F)(F)C[C@H]1C)c1ccccc1 ZINC000879053469 1033907310 /nfs/dbraw/zinc/90/73/10/1033907310.db2.gz VEIYSSGWHDFRSJ-RHSMWYFYSA-N 1 1 320.383 3.547 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCC(F)(F)C[C@H]1C)c1ccccc1 ZINC000879053469 1033907317 /nfs/dbraw/zinc/90/73/17/1033907317.db2.gz VEIYSSGWHDFRSJ-RHSMWYFYSA-N 1 1 320.383 3.547 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000879352650 1033990200 /nfs/dbraw/zinc/99/02/00/1033990200.db2.gz YERNCYMFLOBHGB-INIZCTEOSA-N 1 1 315.461 3.754 20 30 DHEDMO C=CCC1(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)CCC1 ZINC000480092804 1034057914 /nfs/dbraw/zinc/05/79/14/1034057914.db2.gz XTRQEORCDFZFCH-INIZCTEOSA-N 1 1 306.494 3.750 20 30 DHEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@H](C(F)(F)F)O1 ZINC000880064318 1034198467 /nfs/dbraw/zinc/19/84/67/1034198467.db2.gz MDVXUAAJLUHPLJ-ZIAGYGMSSA-N 1 1 318.383 3.892 20 30 DHEDMO C=CCCc1ccccc1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000554574732 1034217139 /nfs/dbraw/zinc/21/71/39/1034217139.db2.gz BPIPYIBTWKZRNG-UHFFFAOYSA-N 1 1 309.413 3.519 20 30 DHEDMO CSCCON=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000794575059 1034232324 /nfs/dbraw/zinc/23/23/24/1034232324.db2.gz VUCKOLZDYKTFGH-IRXDYDNUSA-N 1 1 318.486 3.654 20 30 DHEDMO CO[C@]1(C(F)(F)F)CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000880307060 1034288962 /nfs/dbraw/zinc/28/89/62/1034288962.db2.gz GSZBHHZVHQNKHW-CQSZACIVSA-N 1 1 304.356 3.504 20 30 DHEDMO N#Cc1ccc(F)c(NC2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001174396590 1034324131 /nfs/dbraw/zinc/32/41/31/1034324131.db2.gz IVCUYLIFNSWEPE-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO Clc1ccccc1C#CC[NH+]1CCC2(CCCCO2)CC1 ZINC000880456695 1034335111 /nfs/dbraw/zinc/33/51/11/1034335111.db2.gz SOKZBXUGWOCEDB-UHFFFAOYSA-N 1 1 303.833 3.727 20 30 DHEDMO CC(C)c1[nH+]c(/C=C\C(=O)c2ccnc(F)c2)c2ccccn21 ZINC000794722969 1034417950 /nfs/dbraw/zinc/41/79/50/1034417950.db2.gz ZSOSOOIALOCXMK-SREVYHEPSA-N 1 1 309.344 3.888 20 30 DHEDMO C=CC[N@@H+](C[C@H]1CN(Cc2ccccc2)CCCO1)C(C)(C)C ZINC001174641088 1034524876 /nfs/dbraw/zinc/52/48/76/1034524876.db2.gz AXLRPVUOHUQMFA-LJQANCHMSA-N 1 1 316.489 3.564 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccn(C3CCCC3)n2)cc1 ZINC000129031989 1034601933 /nfs/dbraw/zinc/60/19/33/1034601933.db2.gz FWMNCFBUFLMRCH-HNNXBMFYSA-N 1 1 324.428 3.579 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC001174889899 1034643419 /nfs/dbraw/zinc/64/34/19/1034643419.db2.gz AWMLPVFWPGIQTQ-MCIONIFRSA-N 1 1 303.368 3.822 20 30 DHEDMO COc1nc(C)cc(C)c1C[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC001174897850 1034666331 /nfs/dbraw/zinc/66/63/31/1034666331.db2.gz BLUBAVIKCREZDF-UHFFFAOYSA-N 1 1 309.413 3.519 20 30 DHEDMO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC001174897850 1034666364 /nfs/dbraw/zinc/66/63/64/1034666364.db2.gz BLUBAVIKCREZDF-UHFFFAOYSA-N 1 1 309.413 3.519 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C(C)C)C1CCCC1)Cc1ccccc1 ZINC000555421977 1034689081 /nfs/dbraw/zinc/68/90/81/1034689081.db2.gz ZKAMOYUPASOCOC-UHFFFAOYSA-N 1 1 314.473 3.854 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C(C)C)C1CCCC1)Cc1ccccc1 ZINC000555421977 1034689091 /nfs/dbraw/zinc/68/90/91/1034689091.db2.gz ZKAMOYUPASOCOC-UHFFFAOYSA-N 1 1 314.473 3.854 20 30 DHEDMO C[C@H](C1CCC1)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000481259433 1034691610 /nfs/dbraw/zinc/69/16/10/1034691610.db2.gz QIWXEZNWGVZPNP-LLVKDONJSA-N 1 1 307.235 3.941 20 30 DHEDMO C=CCC[N@H+]1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 ZINC001174975930 1034691630 /nfs/dbraw/zinc/69/16/30/1034691630.db2.gz QGKCEIQPUQUOBR-UHFFFAOYSA-N 1 1 313.420 3.972 20 30 DHEDMO C=C(C)C[N@@H+](C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000481272371 1034705921 /nfs/dbraw/zinc/70/59/21/1034705921.db2.gz VHGGUOKGHVURON-IBGZPJMESA-N 1 1 311.425 3.601 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000187715293 1034727134 /nfs/dbraw/zinc/72/71/34/1034727134.db2.gz YJCBYWOEAKKNQL-QKYXUNIQSA-N 1 1 309.457 3.568 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000187715293 1034727197 /nfs/dbraw/zinc/72/71/97/1034727197.db2.gz YJCBYWOEAKKNQL-QKYXUNIQSA-N 1 1 309.457 3.568 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000187715293 1034727210 /nfs/dbraw/zinc/72/72/10/1034727210.db2.gz YJCBYWOEAKKNQL-QKYXUNIQSA-N 1 1 309.457 3.568 20 30 DHEDMO CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](C)Cc1ccsc1 ZINC000187788091 1034731381 /nfs/dbraw/zinc/73/13/81/1034731381.db2.gz MAAINWZFQDKDIN-KSSFIOAISA-N 1 1 314.454 3.606 20 30 DHEDMO C=C[C@](C)(CC)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000191001378 1034756052 /nfs/dbraw/zinc/75/60/52/1034756052.db2.gz PEORXJXCPXLVBM-GOSISDBHSA-N 1 1 315.392 3.538 20 30 DHEDMO C[C@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600195416 1034801475 /nfs/dbraw/zinc/80/14/75/1034801475.db2.gz IRRPUAXEIXPXLF-GJZGRUSLSA-N 1 1 308.466 3.616 20 30 DHEDMO C[N@@H+]1CCc2c(C#N)c(Nc3c(F)cc(F)cc3F)sc2C1 ZINC001175144401 1034839697 /nfs/dbraw/zinc/83/96/97/1034839697.db2.gz NZYRITOKVZMNHT-UHFFFAOYSA-N 1 1 323.343 3.769 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3c(F)cc(F)cc3F)sc2C1 ZINC001175144401 1034839703 /nfs/dbraw/zinc/83/97/03/1034839703.db2.gz NZYRITOKVZMNHT-UHFFFAOYSA-N 1 1 323.343 3.769 20 30 DHEDMO CC[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H](C)CO ZINC000555666260 1034857125 /nfs/dbraw/zinc/85/71/25/1034857125.db2.gz VDKNWZUQPLLTGB-SFHVURJKSA-N 1 1 322.452 3.589 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCCC[C@H](C)C1 ZINC000481604055 1034902760 /nfs/dbraw/zinc/90/27/60/1034902760.db2.gz KKHHPZFCVUIQRE-JKSUJKDBSA-N 1 1 320.502 3.773 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCOC[C@@]2(C)CC)ccc1OC ZINC000482531267 1035128348 /nfs/dbraw/zinc/12/83/48/1035128348.db2.gz LRKDIFQOCROHDJ-LJQANCHMSA-N 1 1 319.445 3.651 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CCOC[C@@]2(C)CC)ccc1OC ZINC000482531267 1035128352 /nfs/dbraw/zinc/12/83/52/1035128352.db2.gz LRKDIFQOCROHDJ-LJQANCHMSA-N 1 1 319.445 3.651 20 30 DHEDMO CC(C)C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000160324566 1035171678 /nfs/dbraw/zinc/17/16/78/1035171678.db2.gz AOGKZPIYOLFKNA-HNNXBMFYSA-N 1 1 319.474 3.849 20 30 DHEDMO CCN(C[C@@H](C)C#N)C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000160405169 1035183069 /nfs/dbraw/zinc/18/30/69/1035183069.db2.gz RENNVBYPFFPMIK-INIZCTEOSA-N 1 1 315.461 3.539 20 30 DHEDMO Cn1cc(C[N@@H+](CCc2ccccc2)C2CCCC2)cc1C#N ZINC000483149055 1035234108 /nfs/dbraw/zinc/23/41/08/1035234108.db2.gz AKVCPGHLBZBJBC-UHFFFAOYSA-N 1 1 307.441 3.884 20 30 DHEDMO C#CCC[N@@H+]1CCC[C@@]1(C)Cc1cccc(Br)c1 ZINC001176253388 1035237272 /nfs/dbraw/zinc/23/72/72/1035237272.db2.gz PQXZLGZGNOAZMA-INIZCTEOSA-N 1 1 306.247 3.869 20 30 DHEDMO CC(C)(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000483237839 1035243374 /nfs/dbraw/zinc/24/33/74/1035243374.db2.gz BQBPNPOIFNCFDG-INIZCTEOSA-N 1 1 313.445 3.645 20 30 DHEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483294876 1035254529 /nfs/dbraw/zinc/25/45/29/1035254529.db2.gz XBDISAXLIFHRJM-IBGZPJMESA-N 1 1 313.420 3.735 20 30 DHEDMO C#CC[N@@H+](Cc1cnc(Cl)cn1)[C@@H]1CCCc2ccccc21 ZINC001176453664 1035272510 /nfs/dbraw/zinc/27/25/10/1035272510.db2.gz XHKJNRKYCUKCQH-QGZVFWFLSA-N 1 1 311.816 3.643 20 30 DHEDMO C#CC[N@H+](Cc1cnc(Cl)cn1)[C@@H]1CCCc2ccccc21 ZINC001176453664 1035272514 /nfs/dbraw/zinc/27/25/14/1035272514.db2.gz XHKJNRKYCUKCQH-QGZVFWFLSA-N 1 1 311.816 3.643 20 30 DHEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1cc(Cl)cc(C#N)c1 ZINC001176554963 1035294823 /nfs/dbraw/zinc/29/48/23/1035294823.db2.gz HNXISPNPAGPZIG-UHFFFAOYSA-N 1 1 301.802 3.777 20 30 DHEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cc(Cl)cc(C#N)c1 ZINC001176554963 1035294827 /nfs/dbraw/zinc/29/48/27/1035294827.db2.gz HNXISPNPAGPZIG-UHFFFAOYSA-N 1 1 301.802 3.777 20 30 DHEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000484080346 1035316813 /nfs/dbraw/zinc/31/68/13/1035316813.db2.gz CSSGPIYFDPMYHM-ORAYPTAESA-N 1 1 310.372 3.521 20 30 DHEDMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC001176797547 1035329328 /nfs/dbraw/zinc/32/93/28/1035329328.db2.gz AANWZFBEEDKDNA-AWEZNQCLSA-N 1 1 302.418 3.504 20 30 DHEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(SC)cc1 ZINC001176771802 1035329936 /nfs/dbraw/zinc/32/99/36/1035329936.db2.gz VZEKHHYBFUUBHP-OAHLLOKOSA-N 1 1 304.459 3.778 20 30 DHEDMO CC1(C)CCC(C[N@H+]2CCc3c(C#N)c(N)sc3C2)CC1 ZINC001176771017 1035330770 /nfs/dbraw/zinc/33/07/70/1035330770.db2.gz DBFPYGFNDMEDAP-UHFFFAOYSA-N 1 1 303.475 3.776 20 30 DHEDMO C#Cc1ccc(C[NH2+]CC2(N3CCCCC3)CCCCC2)cc1 ZINC001177108879 1035350224 /nfs/dbraw/zinc/35/02/24/1035350224.db2.gz OUFIPJSUTRUURT-UHFFFAOYSA-N 1 1 310.485 3.946 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)CCc1ccc([N+](=O)[O-])cc1 ZINC000484921133 1035422309 /nfs/dbraw/zinc/42/23/09/1035422309.db2.gz UBKHVENOBHLOKF-UHFFFAOYSA-N 1 1 303.406 3.789 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(C(F)(F)c2ccc(F)cc2)no1 ZINC000904586827 1035427628 /nfs/dbraw/zinc/42/76/28/1035427628.db2.gz KUSLOZVJUIQVDZ-LBPRGKRZSA-N 1 1 311.307 3.705 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cnc3ccccc3c2OC)no1 ZINC000904607077 1035435350 /nfs/dbraw/zinc/43/53/50/1035435350.db2.gz NAOQGVOXJNNCHV-AWEZNQCLSA-N 1 1 324.384 3.650 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H]2CSc3ccccc3O2)no1 ZINC000904710178 1035446355 /nfs/dbraw/zinc/44/63/55/1035446355.db2.gz ZURWMTNFPOOKHJ-YPMHNXCESA-N 1 1 317.414 3.652 20 30 DHEDMO C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccc(OCC#N)cn2)c1 ZINC000904752962 1035447788 /nfs/dbraw/zinc/44/77/88/1035447788.db2.gz OIJMRQGVLJBMCR-OAHLLOKOSA-N 1 1 307.397 3.635 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc([C@H]2CSc3ccccc32)no1 ZINC000904728999 1035449068 /nfs/dbraw/zinc/44/90/68/1035449068.db2.gz UXSNCSLBZUBMJG-STQMWFEESA-N 1 1 301.415 3.663 20 30 DHEDMO C=CCOc1cccc(CN[C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC001178773982 1035449105 /nfs/dbraw/zinc/44/91/05/1035449105.db2.gz FEOVFTLVNLFIOT-IBGZPJMESA-N 1 1 316.489 3.852 20 30 DHEDMO N#Cc1csc(C[NH2+]Cc2ccc(Cl)c3cccnc23)n1 ZINC001179681316 1035492302 /nfs/dbraw/zinc/49/23/02/1035492302.db2.gz KZIKGNJNBITTDN-UHFFFAOYSA-N 1 1 314.801 3.506 20 30 DHEDMO C[N@H+]1CCN(CC#Cc2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC001193021310 1035541177 /nfs/dbraw/zinc/54/11/77/1035541177.db2.gz IETZXDDBCDOCQJ-HXUWFJFHSA-N 1 1 324.855 3.680 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1C[C@]1(C)Br ZINC001180030511 1035568201 /nfs/dbraw/zinc/56/82/01/1035568201.db2.gz NUIVVSCQVSGZHE-KGLIPLIRSA-N 1 1 301.272 3.812 20 30 DHEDMO C#C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1OCC)[C@H]1CCCO1 ZINC000775571346 1035569492 /nfs/dbraw/zinc/56/94/92/1035569492.db2.gz FTRUHEVZVFZTKX-YLQAJVPDSA-N 1 1 307.821 3.570 20 30 DHEDMO CC[C@]1(CO)CCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001193562535 1035666447 /nfs/dbraw/zinc/66/64/47/1035666447.db2.gz BGOVIFJNEWMNCK-OAQYLSRUSA-N 1 1 320.436 3.962 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(COCCOC)cc2)C1 ZINC000668494310 1035670371 /nfs/dbraw/zinc/67/03/71/1035670371.db2.gz XKFZKQHYYZKYEI-KRWDZBQOSA-N 1 1 303.446 3.638 20 30 DHEDMO C[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000191380644 1035688556 /nfs/dbraw/zinc/68/85/56/1035688556.db2.gz VZFQTHFDEYVFSJ-SFHVURJKSA-N 1 1 320.436 3.607 20 30 DHEDMO C[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000191380644 1035688569 /nfs/dbraw/zinc/68/85/69/1035688569.db2.gz VZFQTHFDEYVFSJ-SFHVURJKSA-N 1 1 320.436 3.607 20 30 DHEDMO CCN(CC)[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)CC(C)C ZINC000539499932 1035752187 /nfs/dbraw/zinc/75/21/87/1035752187.db2.gz TUASUVLGSGLAJG-APWZRJJASA-N 1 1 301.478 3.965 20 30 DHEDMO C[C@H]([NH2+]CCN1[C@@H](C)CCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000539608797 1035793767 /nfs/dbraw/zinc/79/37/67/1035793767.db2.gz GOVLOXWUQUVQHS-KKUMJFAQSA-N 1 1 303.425 3.611 20 30 DHEDMO C=CCN(C(=O)CC[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001181140218 1035849969 /nfs/dbraw/zinc/84/99/69/1035849969.db2.gz RRFIMZQQUKPIRI-UHFFFAOYSA-N 1 1 314.473 3.856 20 30 DHEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000470954726 1035862389 /nfs/dbraw/zinc/86/23/89/1035862389.db2.gz BQVQDCPQYRMKET-SWLSCSKDSA-N 1 1 312.335 3.600 20 30 DHEDMO N#CCC1(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccccc2)CC1 ZINC001194281088 1035886629 /nfs/dbraw/zinc/88/66/29/1035886629.db2.gz ZCXUWCMBEKAHBJ-FQEVSTJZSA-N 1 1 320.436 3.916 20 30 DHEDMO C=CCOc1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000539837064 1035895212 /nfs/dbraw/zinc/89/52/12/1035895212.db2.gz XURQIOAHZHSMMF-SFHVURJKSA-N 1 1 302.462 3.558 20 30 DHEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000539851705 1035904702 /nfs/dbraw/zinc/90/47/02/1035904702.db2.gz ZQHOMGGEQXGICJ-GOSISDBHSA-N 1 1 300.377 3.989 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(OCCOC)o1)Cc1ccccc1 ZINC001181410952 1035906462 /nfs/dbraw/zinc/90/64/62/1035906462.db2.gz USJXVHFNTAMYDT-UHFFFAOYSA-N 1 1 315.413 3.883 20 30 DHEDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000773933743 1035952270 /nfs/dbraw/zinc/95/22/70/1035952270.db2.gz FUZYARLDJPRNBH-QGZVFWFLSA-N 1 1 308.425 3.960 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccccc1CF ZINC001194792783 1036021954 /nfs/dbraw/zinc/02/19/54/1036021954.db2.gz XISBJBLJNZBRHA-UHFFFAOYSA-N 1 1 312.388 3.676 20 30 DHEDMO C#CC[N@H+](Cc1ccc(N(C)Cc2cccs2)cc1)C1CC1 ZINC001181880282 1036029367 /nfs/dbraw/zinc/02/93/67/1036029367.db2.gz RIMBJBWYTUAZCI-UHFFFAOYSA-N 1 1 310.466 3.982 20 30 DHEDMO C[N@H+](CCOc1ccccc1Cl)Cc1cccc(C#N)c1F ZINC000540298403 1036032259 /nfs/dbraw/zinc/03/22/59/1036032259.db2.gz MXMQAPWXEWKHNE-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[N@@H+](CCOc1ccccc1Cl)Cc1cccc(C#N)c1F ZINC000540298403 1036032275 /nfs/dbraw/zinc/03/22/75/1036032275.db2.gz MXMQAPWXEWKHNE-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001194807750 1036040713 /nfs/dbraw/zinc/04/07/13/1036040713.db2.gz UBPHPCQDUSNKMQ-OALUTQOASA-N 1 1 324.424 3.683 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000637837033 1036088407 /nfs/dbraw/zinc/08/84/07/1036088407.db2.gz ACPQSMKXMDNAGP-UHFFFAOYSA-N 1 1 301.356 3.636 20 30 DHEDMO CC(C)C(C[N@@H+](C)CCOCc1ccc(C#N)cc1)C(C)C ZINC001182139546 1036106878 /nfs/dbraw/zinc/10/68/78/1036106878.db2.gz LQNZVZOVVMIHGL-UHFFFAOYSA-N 1 1 302.462 3.935 20 30 DHEDMO Cc1cc([C@@H]2C[N@H+](CCc3ccc(C#N)cc3)CCO2)ccc1F ZINC000595410536 1036137093 /nfs/dbraw/zinc/13/70/93/1036137093.db2.gz LTOFBBULLZCXDN-FQEVSTJZSA-N 1 1 324.399 3.622 20 30 DHEDMO Cc1cc([C@@H]2C[N@@H+](CCc3ccc(C#N)cc3)CCO2)ccc1F ZINC000595410536 1036137102 /nfs/dbraw/zinc/13/71/02/1036137102.db2.gz LTOFBBULLZCXDN-FQEVSTJZSA-N 1 1 324.399 3.622 20 30 DHEDMO CCC(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)N(C)C ZINC000540709731 1036141009 /nfs/dbraw/zinc/14/10/09/1036141009.db2.gz KFMODCMOXZKZOT-SCLBCKFNSA-N 1 1 305.441 3.714 20 30 DHEDMO C=CC[C@H](C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000495009778 1036182292 /nfs/dbraw/zinc/18/22/92/1036182292.db2.gz VGZDUDREWVAAAF-AOIWGVFYSA-N 1 1 314.473 3.583 20 30 DHEDMO C#CCSCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774251347 1036254667 /nfs/dbraw/zinc/25/46/67/1036254667.db2.gz IIWUTCBCFKLBRB-VIFPVBQESA-N 1 1 304.242 3.716 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC001195463890 1036255341 /nfs/dbraw/zinc/25/53/41/1036255341.db2.gz OXBIYYMFBPVZRK-KRWDZBQOSA-N 1 1 320.436 3.904 20 30 DHEDMO C=CCCCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC001195621763 1036290979 /nfs/dbraw/zinc/29/09/79/1036290979.db2.gz DCCYBHFGBSAUOH-ZWKOTPCHSA-N 1 1 301.430 3.621 20 30 DHEDMO C#CC[N@H+](Cc1cn(C)nc1-c1cccs1)C1CCCCC1 ZINC000775665058 1036295154 /nfs/dbraw/zinc/29/51/54/1036295154.db2.gz VXZHMBMYFOSPCV-UHFFFAOYSA-N 1 1 313.470 3.917 20 30 DHEDMO Cc1cc([C@@H]2C[N@H+](Cc3ccc(CC#N)cc3)CCO2)ccc1F ZINC000541328926 1036296363 /nfs/dbraw/zinc/29/63/63/1036296363.db2.gz VYWCXZBVXNHRFN-FQEVSTJZSA-N 1 1 324.399 3.774 20 30 DHEDMO Cc1cc([C@@H]2C[N@@H+](Cc3ccc(CC#N)cc3)CCO2)ccc1F ZINC000541328926 1036296377 /nfs/dbraw/zinc/29/63/77/1036296377.db2.gz VYWCXZBVXNHRFN-FQEVSTJZSA-N 1 1 324.399 3.774 20 30 DHEDMO C#CC[C@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)c1ccccc1 ZINC000774464534 1036344744 /nfs/dbraw/zinc/34/47/44/1036344744.db2.gz XOVCRFGCGWGWGF-RDJZCZTQSA-N 1 1 303.409 3.989 20 30 DHEDMO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000613254645 1036351107 /nfs/dbraw/zinc/35/11/07/1036351107.db2.gz QACXFZYNWLIZJX-CEXWTWQISA-N 1 1 303.494 3.703 20 30 DHEDMO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN2CC2CCCCC2)C1 ZINC000613254645 1036351134 /nfs/dbraw/zinc/35/11/34/1036351134.db2.gz QACXFZYNWLIZJX-CEXWTWQISA-N 1 1 303.494 3.703 20 30 DHEDMO N#C[C@@H]1CCC[C@H](NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000613254645 1036351152 /nfs/dbraw/zinc/35/11/52/1036351152.db2.gz QACXFZYNWLIZJX-CEXWTWQISA-N 1 1 303.494 3.703 20 30 DHEDMO N#C[C@@H]1CCC[C@H](NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000613254645 1036351172 /nfs/dbraw/zinc/35/11/72/1036351172.db2.gz QACXFZYNWLIZJX-CEXWTWQISA-N 1 1 303.494 3.703 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@H]1C1CCC1 ZINC001195825349 1036360923 /nfs/dbraw/zinc/36/09/23/1036360923.db2.gz IJKJNMISWZFAKZ-KRWDZBQOSA-N 1 1 314.429 3.600 20 30 DHEDMO COc1ccc2c(c1)CCC[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC000609134002 1036390075 /nfs/dbraw/zinc/39/00/75/1036390075.db2.gz WURFVCBIOSKTML-UHFFFAOYSA-N 1 1 310.372 3.654 20 30 DHEDMO COc1ccc2c(c1)CCC[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC000609134002 1036390097 /nfs/dbraw/zinc/39/00/97/1036390097.db2.gz WURFVCBIOSKTML-UHFFFAOYSA-N 1 1 310.372 3.654 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2C)C1 ZINC001195946011 1036401768 /nfs/dbraw/zinc/40/17/68/1036401768.db2.gz FGFUZGONYYOBJX-AWEZNQCLSA-N 1 1 306.837 3.875 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2C)C1 ZINC001195947344 1036405058 /nfs/dbraw/zinc/40/50/58/1036405058.db2.gz SNMAZZAWOCCQBQ-AWEZNQCLSA-N 1 1 306.837 3.875 20 30 DHEDMO Cc1cc(C[N@H+]2CCCN(c3ccccc3)CC2)ccc1C#N ZINC000486789328 1036407609 /nfs/dbraw/zinc/40/76/09/1036407609.db2.gz RTMOSNKAMSYQEM-UHFFFAOYSA-N 1 1 305.425 3.579 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@@](C)(c3cccc(F)c3)C2)ccc1C#N ZINC001182753026 1036435088 /nfs/dbraw/zinc/43/50/88/1036435088.db2.gz DJFHWILZMPPLDS-HXUWFJFHSA-N 1 1 324.399 3.870 20 30 DHEDMO C#CC[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1CCc2ccccc21 ZINC000774568191 1036504829 /nfs/dbraw/zinc/50/48/29/1036504829.db2.gz XNWDLUWVBWJLOX-LJQANCHMSA-N 1 1 304.368 3.820 20 30 DHEDMO C#CC[N@H+](Cc1cccc(C#N)c1F)[C@@H]1CCc2ccccc21 ZINC000774568191 1036504841 /nfs/dbraw/zinc/50/48/41/1036504841.db2.gz XNWDLUWVBWJLOX-LJQANCHMSA-N 1 1 304.368 3.820 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC001183066500 1036516182 /nfs/dbraw/zinc/51/61/82/1036516182.db2.gz ZNUYUBBQESCOEX-GFCCVEGCSA-N 1 1 311.882 3.795 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc(-c2cccc(C)c2)no1 ZINC000491364705 1036559628 /nfs/dbraw/zinc/55/96/28/1036559628.db2.gz AMZMOSLIBPAXGV-UHFFFAOYSA-N 1 1 323.396 3.869 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1nc(-c2cccc(C)c2)no1 ZINC000491364705 1036559640 /nfs/dbraw/zinc/55/96/40/1036559640.db2.gz AMZMOSLIBPAXGV-UHFFFAOYSA-N 1 1 323.396 3.869 20 30 DHEDMO C=C(C)[C@H]([NH2+]CC(=O)NCCCCCC)c1ccc(F)c(F)c1 ZINC000775723728 1036565913 /nfs/dbraw/zinc/56/59/13/1036565913.db2.gz LMTQHBOPKPRARI-SFHVURJKSA-N 1 1 324.415 3.868 20 30 DHEDMO Cc1cc(C[NH2+]Cc2cc(-c3ccccc3)on2)ccc1C#N ZINC000491571357 1036606983 /nfs/dbraw/zinc/60/69/83/1036606983.db2.gz CLYXEXPCDQGAJF-UHFFFAOYSA-N 1 1 303.365 3.812 20 30 DHEDMO C[N@H+](Cc1ccc(-n2cccn2)cc1)Cc1cc(C#N)ccc1F ZINC000030206998 1036630013 /nfs/dbraw/zinc/63/00/13/1036630013.db2.gz SATLYKDWLSZOLD-UHFFFAOYSA-N 1 1 320.371 3.515 20 30 DHEDMO C[N@@H+](Cc1ccc(-n2cccn2)cc1)Cc1cc(C#N)ccc1F ZINC000030206998 1036630022 /nfs/dbraw/zinc/63/00/22/1036630022.db2.gz SATLYKDWLSZOLD-UHFFFAOYSA-N 1 1 320.371 3.515 20 30 DHEDMO Cc1cc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)ccc1C#N ZINC000487911874 1036645101 /nfs/dbraw/zinc/64/51/01/1036645101.db2.gz GFKWDFFRWCBNDQ-SFHVURJKSA-N 1 1 320.392 3.933 20 30 DHEDMO Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)ccc1C#N ZINC000487911873 1036645593 /nfs/dbraw/zinc/64/55/93/1036645593.db2.gz GFKWDFFRWCBNDQ-GOSISDBHSA-N 1 1 320.392 3.933 20 30 DHEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000246390898 1036667171 /nfs/dbraw/zinc/66/71/71/1036667171.db2.gz PGISDBFGODPDKQ-OXJNMPFZSA-N 1 1 323.440 3.708 20 30 DHEDMO C=C(C)[C@H](CO)[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000669943201 1036726070 /nfs/dbraw/zinc/72/60/70/1036726070.db2.gz MWJDWBHJTAZSJQ-GJZGRUSLSA-N 1 1 317.326 3.513 20 30 DHEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000669943201 1036726089 /nfs/dbraw/zinc/72/60/89/1036726089.db2.gz MWJDWBHJTAZSJQ-GJZGRUSLSA-N 1 1 317.326 3.513 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(OC(C)=O)cc1 ZINC000762634242 1036885853 /nfs/dbraw/zinc/88/58/53/1036885853.db2.gz YVHRPGQAVJRTKA-UHFFFAOYSA-N 1 1 309.409 3.843 20 30 DHEDMO CCC1CCC([N@@H+](CCO)Cc2ccc(CC#N)cc2)CC1 ZINC000488170440 1036886862 /nfs/dbraw/zinc/88/68/62/1036886862.db2.gz VRMWGRHWYBKKEX-UHFFFAOYSA-N 1 1 300.446 3.516 20 30 DHEDMO C[C@@H]([N@@H+](C)Cc1cc(C#N)ccc1Br)C1(C)CC1 ZINC000492482854 1036889762 /nfs/dbraw/zinc/88/97/62/1036889762.db2.gz ITPRJGBLVRQMRA-LLVKDONJSA-N 1 1 307.235 3.941 20 30 DHEDMO C=CCCCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000488224803 1036910727 /nfs/dbraw/zinc/91/07/27/1036910727.db2.gz SYZGLNJNKAPWEQ-KRWDZBQOSA-N 1 1 315.461 3.787 20 30 DHEDMO C[N@@H+](CCCNc1nc(C#N)c(Cl)s1)C1CCCCC1 ZINC001184644947 1036916490 /nfs/dbraw/zinc/91/64/90/1036916490.db2.gz WVZABWUVNVZULR-UHFFFAOYSA-N 1 1 312.870 3.735 20 30 DHEDMO Cc1cc(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)ccc1C#N ZINC000488290568 1036955536 /nfs/dbraw/zinc/95/55/36/1036955536.db2.gz CFIDOJYRLNHKBC-NRFANRHFSA-N 1 1 320.436 3.700 20 30 DHEDMO Cc1cc(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)ccc1C#N ZINC000488290568 1036955551 /nfs/dbraw/zinc/95/55/51/1036955551.db2.gz CFIDOJYRLNHKBC-NRFANRHFSA-N 1 1 320.436 3.700 20 30 DHEDMO CCCCCCCCCC[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC001198201817 1036971334 /nfs/dbraw/zinc/97/13/34/1036971334.db2.gz DONPKPMZNPKNJD-SFHVURJKSA-N 1 1 307.482 3.934 20 30 DHEDMO CCCCCCCCCC[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC001198201817 1036971353 /nfs/dbraw/zinc/97/13/53/1036971353.db2.gz DONPKPMZNPKNJD-SFHVURJKSA-N 1 1 307.482 3.934 20 30 DHEDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000492750374 1036993791 /nfs/dbraw/zinc/99/37/91/1036993791.db2.gz QKUITONUQRPSNB-NSHDSACASA-N 1 1 307.235 3.941 20 30 DHEDMO C[C@@H](C#N)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000237589738 1037019286 /nfs/dbraw/zinc/01/92/86/1037019286.db2.gz BACJJTBZPQNDBI-INIZCTEOSA-N 1 1 316.408 3.789 20 30 DHEDMO COc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1OC ZINC000193613331 1037023995 /nfs/dbraw/zinc/02/39/95/1037023995.db2.gz QOMZJFUPFACNDM-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO C=CC[C@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001198489602 1037036182 /nfs/dbraw/zinc/03/61/82/1037036182.db2.gz CJSDDHLZGQIOCB-NSHDSACASA-N 1 1 311.179 3.508 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001198489602 1037036195 /nfs/dbraw/zinc/03/61/95/1037036195.db2.gz CJSDDHLZGQIOCB-NSHDSACASA-N 1 1 311.179 3.508 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(OCC)c2)C1 ZINC001235447611 1037119070 /nfs/dbraw/zinc/11/90/70/1037119070.db2.gz BQZAYPUBMJSKDR-CYBMUJFWSA-N 1 1 322.246 3.693 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Br)c(OCC)c2)C1 ZINC001235447611 1037119078 /nfs/dbraw/zinc/11/90/78/1037119078.db2.gz BQZAYPUBMJSKDR-CYBMUJFWSA-N 1 1 322.246 3.693 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(C)c2)o1 ZINC000488002380 1037121942 /nfs/dbraw/zinc/12/19/42/1037121942.db2.gz NSBNRUPBYXIYBR-GOSISDBHSA-N 1 1 310.397 3.943 20 30 DHEDMO CN(C[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000493051213 1037134670 /nfs/dbraw/zinc/13/46/70/1037134670.db2.gz KMISTQGXYYBFGN-HNNXBMFYSA-N 1 1 323.481 3.648 20 30 DHEDMO C[N@H+]1CC[C@@H](Nc2cc(F)ccc2C#N)[C@@H]1c1ccc(F)cc1 ZINC001185818772 1037253016 /nfs/dbraw/zinc/25/30/16/1037253016.db2.gz CYWUSPBMTGBVBH-AEFFLSMTSA-N 1 1 313.351 3.694 20 30 DHEDMO Cc1ccc(-c2ncc(C[NH2+]Cc3ccc(C#N)cn3)s2)cc1 ZINC000780555124 1037344390 /nfs/dbraw/zinc/34/43/90/1037344390.db2.gz OKXQANZAQGRDNL-UHFFFAOYSA-N 1 1 320.421 3.675 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000489422342 1037425035 /nfs/dbraw/zinc/42/50/35/1037425035.db2.gz DTDFCVJSIZODQI-AWEZNQCLSA-N 1 1 303.793 3.931 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000489422342 1037425048 /nfs/dbraw/zinc/42/50/48/1037425048.db2.gz DTDFCVJSIZODQI-AWEZNQCLSA-N 1 1 303.793 3.931 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000489426773 1037425564 /nfs/dbraw/zinc/42/55/64/1037425564.db2.gz CKHFQJORNYPVMA-CVEARBPZSA-N 1 1 313.363 3.649 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000489436298 1037431321 /nfs/dbraw/zinc/43/13/21/1037431321.db2.gz VBXHMGQZSONTKO-CQSZACIVSA-N 1 1 303.793 3.931 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000489436298 1037431330 /nfs/dbraw/zinc/43/13/30/1037431330.db2.gz VBXHMGQZSONTKO-CQSZACIVSA-N 1 1 303.793 3.931 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000489447014 1037442526 /nfs/dbraw/zinc/44/25/26/1037442526.db2.gz JKZHFFVXMDMFAP-AWEZNQCLSA-N 1 1 303.356 3.691 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000489447014 1037442539 /nfs/dbraw/zinc/44/25/39/1037442539.db2.gz JKZHFFVXMDMFAP-AWEZNQCLSA-N 1 1 303.356 3.691 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000489473157 1037449157 /nfs/dbraw/zinc/44/91/57/1037449157.db2.gz IMVPEQAYZFWMIA-CABCVRRESA-N 1 1 313.363 3.649 20 30 DHEDMO C[C@H]1[C@@H](Nc2cc(F)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC001186640097 1037460441 /nfs/dbraw/zinc/46/04/41/1037460441.db2.gz XEPQWUUQJNXVTG-KSSFIOAISA-N 1 1 309.388 3.772 20 30 DHEDMO CC[C@](C)([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1nccs1 ZINC000152646354 1037477050 /nfs/dbraw/zinc/47/70/50/1037477050.db2.gz DSYPPSPXBOHQDX-GUYCJALGSA-N 1 1 315.442 3.849 20 30 DHEDMO C[N@H+](Cc1ccc2ccccc2c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763225371 1037519659 /nfs/dbraw/zinc/51/96/59/1037519659.db2.gz LWNHVYLRHNFRHP-NRFANRHFSA-N 1 1 316.404 3.877 20 30 DHEDMO CC[C@H](C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000387324245 1037541604 /nfs/dbraw/zinc/54/16/04/1037541604.db2.gz CYVNFJDIWQJPFK-INIZCTEOSA-N 1 1 321.424 3.797 20 30 DHEDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCCC(C)(C)C#N ZINC000493949279 1037603393 /nfs/dbraw/zinc/60/33/93/1037603393.db2.gz OXUWTGLBAKJCLZ-LSDHHAIUSA-N 1 1 323.481 3.551 20 30 DHEDMO C=CCCC[N@H+](CCOC)Cc1cc(Br)cs1 ZINC000494060956 1037635838 /nfs/dbraw/zinc/63/58/38/1037635838.db2.gz SEPCZIMGJLVUKG-UHFFFAOYSA-N 1 1 318.280 3.925 20 30 DHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](CC1CCCCC1)CCO2 ZINC001201397299 1037629536 /nfs/dbraw/zinc/62/95/36/1037629536.db2.gz AMTAYNQFWQOFRQ-RTBURBONSA-N 1 1 307.478 3.640 20 30 DHEDMO C=CCCCC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000494188191 1037669522 /nfs/dbraw/zinc/66/95/22/1037669522.db2.gz HUJHAJYKQCDDAJ-IBGZPJMESA-N 1 1 300.446 3.514 20 30 DHEDMO Cc1cc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)ccc1C#N ZINC000488082495 1037684218 /nfs/dbraw/zinc/68/42/18/1037684218.db2.gz YALRITVSYDCISL-OAQYLSRUSA-N 1 1 318.420 3.888 20 30 DHEDMO N#Cc1cccnc1N=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201469978 1037687989 /nfs/dbraw/zinc/68/79/89/1037687989.db2.gz HANHPDSMNABUEU-MOPGFXCFSA-N 1 1 316.408 3.686 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC[C@@H]2CC(C)(C)O2)cc1 ZINC001168461046 1037702855 /nfs/dbraw/zinc/70/28/55/1037702855.db2.gz VFKSAMQTKGZUCW-ZWKOTPCHSA-N 1 1 300.446 3.989 20 30 DHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000916152396 1037703611 /nfs/dbraw/zinc/70/36/11/1037703611.db2.gz QIQLHABNDKVERN-GJZGRUSLSA-N 1 1 319.408 3.505 20 30 DHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000916152396 1037703631 /nfs/dbraw/zinc/70/36/31/1037703631.db2.gz QIQLHABNDKVERN-GJZGRUSLSA-N 1 1 319.408 3.505 20 30 DHEDMO N#CCC[C@@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1ccccc1 ZINC001201557889 1037778205 /nfs/dbraw/zinc/77/82/05/1037778205.db2.gz NJVQJCWKFAWAMF-MRXNPFEDSA-N 1 1 307.353 3.668 20 30 DHEDMO CCCCCCCCCCC[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001201630929 1037801104 /nfs/dbraw/zinc/80/11/04/1037801104.db2.gz IEEOYAANSSFVJC-MRXNPFEDSA-N 1 1 303.512 3.636 20 30 DHEDMO CCC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)CC1CCCCC1 ZINC000763396124 1037822044 /nfs/dbraw/zinc/82/20/44/1037822044.db2.gz APLXEBOOWHCUFK-IBGZPJMESA-N 1 1 300.446 3.884 20 30 DHEDMO CCC[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccccc1O ZINC000763414217 1037833635 /nfs/dbraw/zinc/83/36/35/1037833635.db2.gz RVGRVEPMOQXUIJ-UHFFFAOYSA-N 1 1 324.424 3.945 20 30 DHEDMO CC(=O)Nc1cc(Nc2ccc(C(F)(F)F)cc2C#N)cc[nH+]1 ZINC001201692007 1037863700 /nfs/dbraw/zinc/86/37/00/1037863700.db2.gz VDDRIBXJXSSBTI-UHFFFAOYSA-N 1 1 320.274 3.674 20 30 DHEDMO C#CC[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C1CCCCC1 ZINC000491019637 1037885475 /nfs/dbraw/zinc/88/54/75/1037885475.db2.gz BMVGJMWVKWHRMR-UHFFFAOYSA-N 1 1 318.505 3.539 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2cnn(CC)c2[C@@H](COCC)C1 ZINC001201762184 1037885543 /nfs/dbraw/zinc/88/55/43/1037885543.db2.gz ATPPNKATLCWXAJ-QGZVFWFLSA-N 1 1 307.482 3.809 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2nn(CC)cc2[C@H](COCC)C1 ZINC001201762890 1037885753 /nfs/dbraw/zinc/88/57/53/1037885753.db2.gz YNEZCYLPCIBBLN-INIZCTEOSA-N 1 1 307.482 3.809 20 30 DHEDMO C=CC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297900 1037890392 /nfs/dbraw/zinc/89/03/92/1037890392.db2.gz ADAPRDGLMSUDJS-UHFFFAOYSA-N 1 1 307.353 3.655 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297900 1037890411 /nfs/dbraw/zinc/89/04/11/1037890411.db2.gz ADAPRDGLMSUDJS-UHFFFAOYSA-N 1 1 307.353 3.655 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@H](N2Cc3ccccc3C2=O)C1 ZINC001201798112 1037898264 /nfs/dbraw/zinc/89/82/64/1037898264.db2.gz PBQNCKRGWXPCEJ-KRWDZBQOSA-N 1 1 300.446 3.687 20 30 DHEDMO CCCCCCCC[N@H+]1CC2CC1(C(=O)NCc1ccco1)C2 ZINC001201813525 1037899989 /nfs/dbraw/zinc/89/99/89/1037899989.db2.gz FTMPNJAXIPPJSK-UHFFFAOYSA-N 1 1 318.461 3.721 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001201813456 1037900786 /nfs/dbraw/zinc/90/07/86/1037900786.db2.gz DOHGUMDNVIHECG-MSOLQXFVSA-N 1 1 308.510 3.926 20 30 DHEDMO CCCCCCCC[N@@H+]1Cc2c(cnn2C)[C@@H](COCC)C1 ZINC001201804523 1037901720 /nfs/dbraw/zinc/90/17/20/1037901720.db2.gz NQBIUZSNUSYJNK-MRXNPFEDSA-N 1 1 307.482 3.716 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@]2(C1)c1ccccc1N(C)C2=O ZINC001201776332 1037904992 /nfs/dbraw/zinc/90/49/92/1037904992.db2.gz BTSVWTDNDARPRK-LJQANCHMSA-N 1 1 300.446 3.577 20 30 DHEDMO CCCCCCCC[N@H+]1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001201825851 1037912533 /nfs/dbraw/zinc/91/25/33/1037912533.db2.gz GAHSSSKYMLSVJB-NNZMDNLPSA-N 1 1 320.521 3.974 20 30 DHEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000775177541 1037920606 /nfs/dbraw/zinc/92/06/06/1037920606.db2.gz AXTFXXPMLXGPOG-MRXNPFEDSA-N 1 1 309.409 3.728 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000775183599 1037945179 /nfs/dbraw/zinc/94/51/79/1037945179.db2.gz PROXLGMDNRMTHX-MRXNPFEDSA-N 1 1 304.393 3.591 20 30 DHEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2ccnc(C#N)c2)CC1 ZINC000586775216 1037949232 /nfs/dbraw/zinc/94/92/32/1037949232.db2.gz SQJUODVESJRMED-HXUWFJFHSA-N 1 1 305.425 3.897 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccc(O)c(OC)c2)cc1 ZINC000125941745 1037987956 /nfs/dbraw/zinc/98/79/56/1037987956.db2.gz XZEXTWGGNJXGPV-UHFFFAOYSA-N 1 1 313.397 3.598 20 30 DHEDMO CCc1nc(C)c(C[NH2+]Cc2cccc(OCCCC#N)c2)o1 ZINC000494282598 1038034823 /nfs/dbraw/zinc/03/48/23/1038034823.db2.gz OTACATVYTYEDNJ-UHFFFAOYSA-N 1 1 313.401 3.518 20 30 DHEDMO CC(C)C[N@H+](CCC#N)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000916970121 1038100721 /nfs/dbraw/zinc/10/07/21/1038100721.db2.gz LUWSHQBERBIKSH-HNNXBMFYSA-N 1 1 314.351 3.610 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000916970121 1038100733 /nfs/dbraw/zinc/10/07/33/1038100733.db2.gz LUWSHQBERBIKSH-HNNXBMFYSA-N 1 1 314.351 3.610 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C)cc(C)c1O ZINC000164222236 1038104162 /nfs/dbraw/zinc/10/41/62/1038104162.db2.gz HMIWSGDDBHJOMM-UHFFFAOYSA-N 1 1 324.424 3.529 20 30 DHEDMO C[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)Cc2ccccc21 ZINC000917039366 1038123865 /nfs/dbraw/zinc/12/38/65/1038123865.db2.gz AQQCYOYVMFELGZ-INIZCTEOSA-N 1 1 306.409 3.946 20 30 DHEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)o1 ZINC000156600038 1038147461 /nfs/dbraw/zinc/14/74/61/1038147461.db2.gz TUFFZNBKQGBZHU-JVPBZIDWSA-N 1 1 324.424 3.966 20 30 DHEDMO C=CC[N@H+](CC(=O)N1CC[C@H](C)Sc2ccccc21)C(C)C ZINC000917070858 1038171003 /nfs/dbraw/zinc/17/10/03/1038171003.db2.gz HXPPERKVZJUFAB-HNNXBMFYSA-N 1 1 318.486 3.800 20 30 DHEDMO C=CC[N@@H+](CC(=O)N1CC[C@H](C)Sc2ccccc21)C(C)C ZINC000917070858 1038171006 /nfs/dbraw/zinc/17/10/06/1038171006.db2.gz HXPPERKVZJUFAB-HNNXBMFYSA-N 1 1 318.486 3.800 20 30 DHEDMO Cc1c[nH+]cn1C1CCN(c2nc(C(C)(C)C)ccc2C#N)CC1 ZINC000588037869 1038222413 /nfs/dbraw/zinc/22/24/13/1038222413.db2.gz PSGXSGFYDJYHMJ-UHFFFAOYSA-N 1 1 323.444 3.597 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(-c2cccc(F)c2C)o1)[C@H]1CCCO1 ZINC000775343907 1038254454 /nfs/dbraw/zinc/25/44/54/1038254454.db2.gz ZVFOGXGYBVVXRL-IEBWSBKVSA-N 1 1 313.372 3.665 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000588214938 1038276057 /nfs/dbraw/zinc/27/60/57/1038276057.db2.gz DUENRDCLTVHUAG-ROUUACIJSA-N 1 1 322.452 3.853 20 30 DHEDMO CC[C@](C)([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccccc1 ZINC000775385821 1038313246 /nfs/dbraw/zinc/31/32/46/1038313246.db2.gz AEGFHBMGFIZZKF-FQEVSTJZSA-N 1 1 322.408 3.760 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001190485514 1038318241 /nfs/dbraw/zinc/31/82/41/1038318241.db2.gz LHQXDMACPODNFC-HIFRSBDPSA-N 1 1 317.326 3.924 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001190485514 1038318254 /nfs/dbraw/zinc/31/82/54/1038318254.db2.gz LHQXDMACPODNFC-HIFRSBDPSA-N 1 1 317.326 3.924 20 30 DHEDMO C#CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C)C1CCCCC1 ZINC001190699875 1038364351 /nfs/dbraw/zinc/36/43/51/1038364351.db2.gz PJVPFCYLYILJSU-UHFFFAOYSA-N 1 1 318.848 3.855 20 30 DHEDMO C#CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C)C1CCCCC1 ZINC001190699875 1038364366 /nfs/dbraw/zinc/36/43/66/1038364366.db2.gz PJVPFCYLYILJSU-UHFFFAOYSA-N 1 1 318.848 3.855 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](OC)C1CCCCC1 ZINC001190707548 1038367471 /nfs/dbraw/zinc/36/74/71/1038367471.db2.gz JNPGFMNXBDNFNB-IBGZPJMESA-N 1 1 303.421 3.856 20 30 DHEDMO CC[N@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)CC(C)(C)C ZINC000589752520 1038539564 /nfs/dbraw/zinc/53/95/64/1038539564.db2.gz SORBIXRRENQTOI-UHFFFAOYSA-N 1 1 310.445 3.920 20 30 DHEDMO CC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)CC(C)(C)C ZINC000589752520 1038539571 /nfs/dbraw/zinc/53/95/71/1038539571.db2.gz SORBIXRRENQTOI-UHFFFAOYSA-N 1 1 310.445 3.920 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(C3CC3)CC2)c1C#N ZINC000590008697 1038563810 /nfs/dbraw/zinc/56/38/10/1038563810.db2.gz VBVIUHBAKFVCMX-UHFFFAOYSA-N 1 1 320.440 3.674 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC2(C#N)CC2)cc1 ZINC000590158560 1038594020 /nfs/dbraw/zinc/59/40/20/1038594020.db2.gz PNULNFDGDLAOEN-OAHLLOKOSA-N 1 1 311.429 3.693 20 30 DHEDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000590203676 1038604476 /nfs/dbraw/zinc/60/44/76/1038604476.db2.gz CHYPYKNMJOMTGF-FQEVSTJZSA-N 1 1 314.473 3.718 20 30 DHEDMO Cc1cccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1F ZINC000590654114 1038685544 /nfs/dbraw/zinc/68/55/44/1038685544.db2.gz LWROMFMXSWYICA-UHFFFAOYSA-N 1 1 309.388 3.587 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](Sc3ccncc3)C2)c1 ZINC001203762739 1038696607 /nfs/dbraw/zinc/69/66/07/1038696607.db2.gz PXYWRPCKWWLCRH-GOSISDBHSA-N 1 1 309.438 3.710 20 30 DHEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H](CO)CC(C)(C)C ZINC000590761592 1038699332 /nfs/dbraw/zinc/69/93/32/1038699332.db2.gz UZFYZRPNIQZGCZ-QGZVFWFLSA-N 1 1 302.462 3.717 20 30 DHEDMO N#Cc1ccc(CN2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000591415284 1038854709 /nfs/dbraw/zinc/85/47/09/1038854709.db2.gz NALAUIUZVYAJKL-UHFFFAOYSA-N 1 1 311.473 3.646 20 30 DHEDMO C[C@H](N[C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC000591571027 1038936038 /nfs/dbraw/zinc/93/60/38/1038936038.db2.gz WGUBYYWATICDBN-YSSFQJQWSA-N 1 1 305.425 3.702 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591582333 1038938834 /nfs/dbraw/zinc/93/88/34/1038938834.db2.gz ISPXQQYWOJOXPU-HKUYNNGSSA-N 1 1 309.457 3.590 20 30 DHEDMO N#Cc1csc(C[NH2+][C@H]2CCCc3ccc(Cl)cc32)n1 ZINC000599007322 1038983587 /nfs/dbraw/zinc/98/35/87/1038983587.db2.gz OFDGPYYBAPXSIU-AWEZNQCLSA-N 1 1 303.818 3.835 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CCC)CCc1cccc(F)c1 ZINC000603499475 1039016935 /nfs/dbraw/zinc/01/69/35/1039016935.db2.gz NQXVBTSKGFBHOJ-UHFFFAOYSA-N 1 1 320.452 3.505 20 30 DHEDMO COc1ccc(C[C@H](C)C[N@@H+]2Cc3cccc(C#N)c3C2)cc1F ZINC000593697103 1039078693 /nfs/dbraw/zinc/07/86/93/1039078693.db2.gz LHBDTYWCPPIMRJ-AWEZNQCLSA-N 1 1 324.399 3.900 20 30 DHEDMO COc1ccc(C[C@H](C)C[N@H+]2Cc3cccc(C#N)c3C2)cc1F ZINC000593697103 1039078713 /nfs/dbraw/zinc/07/87/13/1039078713.db2.gz LHBDTYWCPPIMRJ-AWEZNQCLSA-N 1 1 324.399 3.900 20 30 DHEDMO CC(C)C[N@H+](Cc1ccncc1C#N)[C@H]1CCCc2cccnc21 ZINC000592106679 1039112750 /nfs/dbraw/zinc/11/27/50/1039112750.db2.gz LWCICEJMBXPYSL-IBGZPJMESA-N 1 1 320.440 3.884 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccncc1C#N)[C@H]1CCCc2cccnc21 ZINC000592106679 1039112755 /nfs/dbraw/zinc/11/27/55/1039112755.db2.gz LWCICEJMBXPYSL-IBGZPJMESA-N 1 1 320.440 3.884 20 30 DHEDMO N#Cc1cnccc1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000592066763 1039115994 /nfs/dbraw/zinc/11/59/94/1039115994.db2.gz QATIKSCBWAAGJV-UHFFFAOYSA-N 1 1 309.388 3.547 20 30 DHEDMO CCCC[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc(OC)cc1 ZINC000592092142 1039121111 /nfs/dbraw/zinc/12/11/11/1039121111.db2.gz FJKMAFRGXQJAGB-LJQANCHMSA-N 1 1 309.413 3.983 20 30 DHEDMO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1Cc1ccncc1C#N ZINC000592123257 1039122748 /nfs/dbraw/zinc/12/27/48/1039122748.db2.gz RIVVCYAVWFOSHW-HNAYVOBHSA-N 1 1 321.424 3.935 20 30 DHEDMO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1Cc1ccncc1C#N ZINC000592123257 1039122757 /nfs/dbraw/zinc/12/27/57/1039122757.db2.gz RIVVCYAVWFOSHW-HNAYVOBHSA-N 1 1 321.424 3.935 20 30 DHEDMO COc1ccc(C[N@H+](Cc2ccncc2C#N)C(C)(C)C)cc1 ZINC000592122748 1039123222 /nfs/dbraw/zinc/12/32/22/1039123222.db2.gz NFCURNBKUDFYKM-UHFFFAOYSA-N 1 1 309.413 3.763 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccncc2C#N)C(C)(C)C)cc1 ZINC000592122748 1039123225 /nfs/dbraw/zinc/12/32/25/1039123225.db2.gz NFCURNBKUDFYKM-UHFFFAOYSA-N 1 1 309.413 3.763 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000592140234 1039127478 /nfs/dbraw/zinc/12/74/78/1039127478.db2.gz ZYHHTOVJLXEXCW-GOSISDBHSA-N 1 1 305.425 3.872 20 30 DHEDMO COC(=O)c1cccc2c1C[N@@H+](CCCCC(C)(C)C#N)CC2 ZINC000592164523 1039137001 /nfs/dbraw/zinc/13/70/01/1039137001.db2.gz KZFQDRDVNIAOAR-UHFFFAOYSA-N 1 1 314.429 3.551 20 30 DHEDMO Cc1ccc(C[N@@H+](CCOc2cccc(C#N)c2)CC2CC2)cn1 ZINC000592145512 1039138608 /nfs/dbraw/zinc/13/86/08/1039138608.db2.gz UCONOBZXAJLOKF-UHFFFAOYSA-N 1 1 321.424 3.553 20 30 DHEDMO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C#N ZINC000599359249 1039139324 /nfs/dbraw/zinc/13/93/24/1039139324.db2.gz MGIMDQXAHFXTAU-FUHWJXTLSA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1ccc(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C#N ZINC000599359249 1039139331 /nfs/dbraw/zinc/13/93/31/1039139331.db2.gz MGIMDQXAHFXTAU-FUHWJXTLSA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1ccc(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C#N ZINC000599359249 1039139336 /nfs/dbraw/zinc/13/93/36/1039139336.db2.gz MGIMDQXAHFXTAU-FUHWJXTLSA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C#N ZINC000599359251 1039139882 /nfs/dbraw/zinc/13/98/82/1039139882.db2.gz MGIMDQXAHFXTAU-WMZOPIPTSA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1ccc(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C#N ZINC000599359251 1039139887 /nfs/dbraw/zinc/13/98/87/1039139887.db2.gz MGIMDQXAHFXTAU-WMZOPIPTSA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1ccc(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C#N ZINC000599359251 1039139891 /nfs/dbraw/zinc/13/98/91/1039139891.db2.gz MGIMDQXAHFXTAU-WMZOPIPTSA-N 1 1 311.473 3.609 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C)c(C#N)c2)o1 ZINC000599365690 1039141861 /nfs/dbraw/zinc/14/18/61/1039141861.db2.gz GJXLGGJYFCCBLT-GOSISDBHSA-N 1 1 310.397 3.943 20 30 DHEDMO Cc1ccc(C[N@H+](Cc2ccc(C#N)c(F)c2)CC2CC2)cn1 ZINC000592146028 1039145434 /nfs/dbraw/zinc/14/54/34/1039145434.db2.gz KMRBDSVSGHCDCO-UHFFFAOYSA-N 1 1 309.388 3.813 20 30 DHEDMO CC(C)[N@@H+](CCCOCC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000058396950 1039156489 /nfs/dbraw/zinc/15/64/89/1039156489.db2.gz FUADWXFGJBMVAB-UHFFFAOYSA-N 1 1 314.351 3.738 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000599553120 1039209036 /nfs/dbraw/zinc/20/90/36/1039209036.db2.gz NUKQJRADHIVHGM-SJORKVTESA-N 1 1 300.471 3.958 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](CCC1(C#N)CCCCC1)C2 ZINC000599676963 1039255132 /nfs/dbraw/zinc/25/51/32/1039255132.db2.gz CVXIWRATXNTAJA-UHFFFAOYSA-N 1 1 307.441 3.975 20 30 DHEDMO C/C=C\C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000599690241 1039260670 /nfs/dbraw/zinc/26/06/70/1039260670.db2.gz LZQUOYYHUZRKPL-YPQKKHBXSA-N 1 1 322.412 3.786 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](CCCOc1ccccc1)C2 ZINC000599685560 1039268798 /nfs/dbraw/zinc/26/87/98/1039268798.db2.gz GMRDIUMQXAJXDP-UHFFFAOYSA-N 1 1 306.409 3.580 20 30 DHEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000592780611 1039280414 /nfs/dbraw/zinc/28/04/14/1039280414.db2.gz LBRMYMRCRZMYSF-RDJZCZTQSA-N 1 1 324.428 3.558 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000604017587 1039285268 /nfs/dbraw/zinc/28/52/68/1039285268.db2.gz NGCIZJYTNIDVIJ-LJQANCHMSA-N 1 1 324.399 3.783 20 30 DHEDMO N#C[C@H]1CC[C@@H]([NH+]2CCN(c3cc(Cl)ccc3Cl)CC2)C1 ZINC000593053678 1039377993 /nfs/dbraw/zinc/37/79/93/1039377993.db2.gz YKJNVDKRXQIURM-GXTWGEPZSA-N 1 1 324.255 3.808 20 30 DHEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000593054014 1039378496 /nfs/dbraw/zinc/37/84/96/1039378496.db2.gz RDLUVXDYVIYLBA-SFHVURJKSA-N 1 1 300.446 3.877 20 30 DHEDMO C[C@@H]([NH2+][C@@H](CCO)c1ccccc1F)c1ccc(C#N)c(F)c1 ZINC000592404535 1039447839 /nfs/dbraw/zinc/44/78/39/1039447839.db2.gz ZIRMEFHPTHMRET-XIKOKIGWSA-N 1 1 316.351 3.611 20 30 DHEDMO C[C@H]([N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C ZINC000604435113 1039475456 /nfs/dbraw/zinc/47/54/56/1039475456.db2.gz XLBBBHIVZUEREP-LBPRGKRZSA-N 1 1 321.852 3.907 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000061758580 1039544877 /nfs/dbraw/zinc/54/48/77/1039544877.db2.gz DIXFBPJDCOYFFO-CQSZACIVSA-N 1 1 304.459 3.778 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000061758580 1039544888 /nfs/dbraw/zinc/54/48/88/1039544888.db2.gz DIXFBPJDCOYFFO-CQSZACIVSA-N 1 1 304.459 3.778 20 30 DHEDMO Cc1cc(Br)c(C[NH2+]CC2(C#N)CCCC2)s1 ZINC000593654789 1039578770 /nfs/dbraw/zinc/57/87/70/1039578770.db2.gz OJEAJMNTKFBBGR-UHFFFAOYSA-N 1 1 313.264 3.993 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)Cc1ccccc1 ZINC000574295169 1039602874 /nfs/dbraw/zinc/60/28/74/1039602874.db2.gz GRLRXEDNEVRKOX-KRWDZBQOSA-N 1 1 302.462 3.568 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)Cc1ccccc1 ZINC000574295169 1039602879 /nfs/dbraw/zinc/60/28/79/1039602879.db2.gz GRLRXEDNEVRKOX-KRWDZBQOSA-N 1 1 302.462 3.568 20 30 DHEDMO C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CC2(CCCCC2)O1 ZINC000594057784 1039692209 /nfs/dbraw/zinc/69/22/09/1039692209.db2.gz MPYJZJQYPSIZLP-KRWDZBQOSA-N 1 1 320.477 3.511 20 30 DHEDMO C=CCCC[N@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000605740673 1039744908 /nfs/dbraw/zinc/74/49/08/1039744908.db2.gz JQCNNASDMQTGTR-UHFFFAOYSA-N 1 1 316.426 3.937 20 30 DHEDMO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594495939 1039795489 /nfs/dbraw/zinc/79/54/89/1039795489.db2.gz FVFOHTSCMIWIFS-IRXDYDNUSA-N 1 1 313.489 3.698 20 30 DHEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594495939 1039795511 /nfs/dbraw/zinc/79/55/11/1039795511.db2.gz FVFOHTSCMIWIFS-IRXDYDNUSA-N 1 1 313.489 3.698 20 30 DHEDMO C[C@H]1CCCC[N@@H+]1CCCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594493896 1039795573 /nfs/dbraw/zinc/79/55/73/1039795573.db2.gz URVGHHHNUTXVDU-KRWDZBQOSA-N 1 1 313.489 3.842 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594493896 1039795593 /nfs/dbraw/zinc/79/55/93/1039795593.db2.gz URVGHHHNUTXVDU-KRWDZBQOSA-N 1 1 313.489 3.842 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1 ZINC000594609063 1039867471 /nfs/dbraw/zinc/86/74/71/1039867471.db2.gz FFOQEOAHWXZPIA-IBGZPJMESA-N 1 1 324.468 3.879 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000606451300 1039890926 /nfs/dbraw/zinc/89/09/26/1039890926.db2.gz ZUHSYTRZZJDGGU-SFHVURJKSA-N 1 1 322.383 3.792 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000606451300 1039890944 /nfs/dbraw/zinc/89/09/44/1039890944.db2.gz ZUHSYTRZZJDGGU-SFHVURJKSA-N 1 1 322.383 3.792 20 30 DHEDMO C[C@H]1CCC[C@H](C)[NH+]1CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594922478 1039927238 /nfs/dbraw/zinc/92/72/38/1039927238.db2.gz GDMTUAHHLFRGQP-IRXDYDNUSA-N 1 1 311.473 3.594 20 30 DHEDMO N#CCCC[C@H]([NH2+]Cc1cn(C2CCC2)nn1)c1ccccc1 ZINC000594945976 1039961367 /nfs/dbraw/zinc/96/13/67/1039961367.db2.gz YGKQYNAXVUGZJW-SFHVURJKSA-N 1 1 309.417 3.528 20 30 DHEDMO CCCc1nc(C)c(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)o1 ZINC000594035759 1039986554 /nfs/dbraw/zinc/98/65/54/1039986554.db2.gz REIATCVUJADVDX-UHFFFAOYSA-N 1 1 309.413 3.976 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCC2(C#N)CCCCC2)C1 ZINC000594981208 1039993946 /nfs/dbraw/zinc/99/39/46/1039993946.db2.gz KSPWISGSDWJFSR-HKUYNNGSSA-N 1 1 311.473 3.886 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC2(C#N)CCCCC2)C1 ZINC000594981208 1039993962 /nfs/dbraw/zinc/99/39/62/1039993962.db2.gz KSPWISGSDWJFSR-HKUYNNGSSA-N 1 1 311.473 3.886 20 30 DHEDMO N#CC1(C[NH2+]Cc2cnc(-c3ccccn3)s2)CCCCC1 ZINC000594981033 1039994622 /nfs/dbraw/zinc/99/46/22/1039994622.db2.gz FSRYRYSMIPOXBO-UHFFFAOYSA-N 1 1 312.442 3.769 20 30 DHEDMO CCOc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1OC ZINC000594993224 1040011841 /nfs/dbraw/zinc/01/18/41/1040011841.db2.gz BKHYYDFHLBKRBG-UHFFFAOYSA-N 1 1 302.418 3.658 20 30 DHEDMO COc1cccc(C[NH2+]CC2(C#N)CCCCC2)c1OC(F)F ZINC000594993218 1040011960 /nfs/dbraw/zinc/01/19/60/1040011960.db2.gz BGYCFMTXKSGOSJ-UHFFFAOYSA-N 1 1 324.371 3.860 20 30 DHEDMO C=CCCSCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000595058655 1040023398 /nfs/dbraw/zinc/02/33/98/1040023398.db2.gz IHJJZKGGDYZQRK-PKOBYXMFSA-N 1 1 318.530 3.796 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CC2(CCCCC2)O1 ZINC000594058217 1040030723 /nfs/dbraw/zinc/03/07/23/1040030723.db2.gz QFLSZJNZJFIMPA-AWEZNQCLSA-N 1 1 302.393 3.621 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC2(CCCCC2)O1 ZINC000594058217 1040030737 /nfs/dbraw/zinc/03/07/37/1040030737.db2.gz QFLSZJNZJFIMPA-AWEZNQCLSA-N 1 1 302.393 3.621 20 30 DHEDMO C[C@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(C#N)c(F)c1 ZINC000595078759 1040073838 /nfs/dbraw/zinc/07/38/38/1040073838.db2.gz AQWQOVBNZBQCSP-WMLDXEAASA-N 1 1 315.436 3.755 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1)c1ccc(C#N)c(F)c1 ZINC000595078759 1040073853 /nfs/dbraw/zinc/07/38/53/1040073853.db2.gz AQWQOVBNZBQCSP-WMLDXEAASA-N 1 1 315.436 3.755 20 30 DHEDMO C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)[C@H](c2ccccc2)CO1 ZINC000595332487 1040099978 /nfs/dbraw/zinc/09/99/78/1040099978.db2.gz GEQGQUXSAVFQEN-JXFKEZNVSA-N 1 1 306.409 3.563 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@H+]2CCc2ccc(C#N)cc2)o1 ZINC000595443439 1040133215 /nfs/dbraw/zinc/13/32/15/1040133215.db2.gz URLRFWACHBJASV-GOSISDBHSA-N 1 1 310.397 3.677 20 30 DHEDMO C=CC[N@H+](Cc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287379 1040187329 /nfs/dbraw/zinc/18/73/29/1040187329.db2.gz XKZLEWMHCKJNKY-UHFFFAOYSA-N 1 1 300.333 3.922 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063287379 1040187340 /nfs/dbraw/zinc/18/73/40/1040187340.db2.gz XKZLEWMHCKJNKY-UHFFFAOYSA-N 1 1 300.333 3.922 20 30 DHEDMO C[N@@H+](CCCN[C@H]1CCc2ccc(C#N)cc21)C1CCCCC1 ZINC000575222211 1040189362 /nfs/dbraw/zinc/18/93/62/1040189362.db2.gz VGWMLWIBATWHLU-FQEVSTJZSA-N 1 1 311.473 3.790 20 30 DHEDMO C[N@@H+](CCCN[C@@H]1CCc2ccc(C#N)cc21)C1CCCCC1 ZINC000575222212 1040190149 /nfs/dbraw/zinc/19/01/49/1040190149.db2.gz VGWMLWIBATWHLU-HXUWFJFHSA-N 1 1 311.473 3.790 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCc2ccccc21 ZINC000593091234 1040194944 /nfs/dbraw/zinc/19/49/44/1040194944.db2.gz LMRASJGQFOOBOK-AWEZNQCLSA-N 1 1 321.380 3.628 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000595623951 1040195239 /nfs/dbraw/zinc/19/52/39/1040195239.db2.gz ZMIZLDNOWVDABT-QGZVFWFLSA-N 1 1 321.424 3.786 20 30 DHEDMO COc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(Br)c1 ZINC000595623374 1040195425 /nfs/dbraw/zinc/19/54/25/1040195425.db2.gz OGZYCJCBKPQQHM-LBPRGKRZSA-N 1 1 323.234 3.583 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(Br)c1 ZINC000595623374 1040195436 /nfs/dbraw/zinc/19/54/36/1040195436.db2.gz OGZYCJCBKPQQHM-LBPRGKRZSA-N 1 1 323.234 3.583 20 30 DHEDMO COc1ccc(C[C@H]2CCCC[N@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000593084232 1040196396 /nfs/dbraw/zinc/19/63/96/1040196396.db2.gz PSWSQMGLBRKSPI-LJQANCHMSA-N 1 1 321.424 3.559 20 30 DHEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](CO)Cc1ccccc1 ZINC000595593938 1040201982 /nfs/dbraw/zinc/20/19/82/1040201982.db2.gz BTVWOIXSQIUDDY-LJQANCHMSA-N 1 1 322.452 3.523 20 30 DHEDMO Cc1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)ccc1C#N ZINC000595718240 1040229522 /nfs/dbraw/zinc/22/95/22/1040229522.db2.gz SJWHLWTXYBZTKN-IBGZPJMESA-N 1 1 322.408 3.813 20 30 DHEDMO Cc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccco2)ccc1C#N ZINC000595718240 1040229538 /nfs/dbraw/zinc/22/95/38/1040229538.db2.gz SJWHLWTXYBZTKN-IBGZPJMESA-N 1 1 322.408 3.813 20 30 DHEDMO N#Cc1c(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cn2ccccc12 ZINC000595788345 1040253100 /nfs/dbraw/zinc/25/31/00/1040253100.db2.gz JKAPEWKSNJPZQK-OXQOHEQNSA-N 1 1 323.440 3.592 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCOc2ccc(O)cc2C1 ZINC000595846145 1040261844 /nfs/dbraw/zinc/26/18/44/1040261844.db2.gz VPBHQFNPHLSSCM-UHFFFAOYSA-N 1 1 322.408 3.588 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595846145 1040261854 /nfs/dbraw/zinc/26/18/54/1040261854.db2.gz VPBHQFNPHLSSCM-UHFFFAOYSA-N 1 1 322.408 3.588 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](C4CCC4)C3)o2)cc1 ZINC000595830937 1040265422 /nfs/dbraw/zinc/26/54/22/1040265422.db2.gz CFKZASWQZGHFSS-KRWDZBQOSA-N 1 1 322.412 3.620 20 30 DHEDMO C[C@@]1(C#N)CC[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000595833694 1040269784 /nfs/dbraw/zinc/26/97/84/1040269784.db2.gz IOWWMWMDMYYAHH-FQEVSTJZSA-N 1 1 316.408 3.737 20 30 DHEDMO C[C@@]1(C#N)CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000595833694 1040269798 /nfs/dbraw/zinc/26/97/98/1040269798.db2.gz IOWWMWMDMYYAHH-FQEVSTJZSA-N 1 1 316.408 3.737 20 30 DHEDMO C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@@](C)(C(F)F)O1 ZINC000595922048 1040283248 /nfs/dbraw/zinc/28/32/48/1040283248.db2.gz NRISZFOBPOKOOW-ZFWWWQNUSA-N 1 1 300.393 3.595 20 30 DHEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@@](C)(C(F)F)O1 ZINC000595922048 1040283254 /nfs/dbraw/zinc/28/32/54/1040283254.db2.gz NRISZFOBPOKOOW-ZFWWWQNUSA-N 1 1 300.393 3.595 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000595922172 1040283998 /nfs/dbraw/zinc/28/39/98/1040283998.db2.gz YYEYOVYFMFYBGX-KBPBESRZSA-N 1 1 322.474 3.854 20 30 DHEDMO CC(C)(C#N)c1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000596638052 1040531517 /nfs/dbraw/zinc/53/15/17/1040531517.db2.gz ZRPHFXUITOGGMT-UHFFFAOYSA-N 1 1 320.436 3.987 20 30 DHEDMO C[C@H](CC#N)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000596712260 1040548663 /nfs/dbraw/zinc/54/86/63/1040548663.db2.gz XPALDHMBRMTSIH-OAHLLOKOSA-N 1 1 313.445 3.939 20 30 DHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C)CC#N)c1 ZINC000596828454 1040576376 /nfs/dbraw/zinc/57/63/76/1040576376.db2.gz GKBPTEAPPODKQN-CQSZACIVSA-N 1 1 310.401 3.543 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H]3c3ccccn3)cc2)CC1 ZINC000596981213 1040615016 /nfs/dbraw/zinc/61/50/16/1040615016.db2.gz KNQMMUHATHQROZ-IBGZPJMESA-N 1 1 303.409 3.974 20 30 DHEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596989568 1040624723 /nfs/dbraw/zinc/62/47/23/1040624723.db2.gz SRUBEXMRLUKUHS-QGZVFWFLSA-N 1 1 320.436 3.625 20 30 DHEDMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012024 1040625013 /nfs/dbraw/zinc/62/50/13/1040625013.db2.gz KNUKPDLCEHCTMI-LPHOPBHVSA-N 1 1 311.473 3.546 20 30 DHEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012024 1040625016 /nfs/dbraw/zinc/62/50/16/1040625016.db2.gz KNUKPDLCEHCTMI-LPHOPBHVSA-N 1 1 311.473 3.546 20 30 DHEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012024 1040625021 /nfs/dbraw/zinc/62/50/21/1040625021.db2.gz KNUKPDLCEHCTMI-LPHOPBHVSA-N 1 1 311.473 3.546 20 30 DHEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012024 1040625025 /nfs/dbraw/zinc/62/50/25/1040625025.db2.gz KNUKPDLCEHCTMI-LPHOPBHVSA-N 1 1 311.473 3.546 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@]4(CCCOC4)C3)cc2)CC1 ZINC000597011480 1040625148 /nfs/dbraw/zinc/62/51/48/1040625148.db2.gz AHZJBBRAZCDVQC-IBGZPJMESA-N 1 1 310.441 3.634 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCCC[C@@H]3c3ncc[nH]3)cc2)CC1 ZINC000596993881 1040628008 /nfs/dbraw/zinc/62/80/08/1040628008.db2.gz XFDOHTHODZVKCV-QGZVFWFLSA-N 1 1 306.413 3.692 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCCC[C@@H]3c3ncc[nH]3)cc2)CC1 ZINC000596993881 1040628009 /nfs/dbraw/zinc/62/80/09/1040628009.db2.gz XFDOHTHODZVKCV-QGZVFWFLSA-N 1 1 306.413 3.692 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCO[C@H](c4ccsc4)C3)cc2)CC1 ZINC000597021779 1040630040 /nfs/dbraw/zinc/63/00/40/1040630040.db2.gz RUXCTVKQKSBVKM-SFHVURJKSA-N 1 1 324.449 3.877 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCO[C@H](c4ccsc4)C3)cc2)CC1 ZINC000597021779 1040630048 /nfs/dbraw/zinc/63/00/48/1040630048.db2.gz RUXCTVKQKSBVKM-SFHVURJKSA-N 1 1 324.449 3.877 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1n1ccnc1 ZINC000597028198 1040630465 /nfs/dbraw/zinc/63/04/65/1040630465.db2.gz VBJUMLRNZPTOTA-QFBILLFUSA-N 1 1 320.440 3.521 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1n1ccnc1 ZINC000597028196 1040631672 /nfs/dbraw/zinc/63/16/72/1040631672.db2.gz VBJUMLRNZPTOTA-APWZRJJASA-N 1 1 320.440 3.521 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H](OCC4CC4)C3)cc2)CC1 ZINC000597093034 1040651602 /nfs/dbraw/zinc/65/16/02/1040651602.db2.gz UUEIYYIDKGHHKV-LJQANCHMSA-N 1 1 310.441 3.633 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000597132879 1040659127 /nfs/dbraw/zinc/65/91/27/1040659127.db2.gz MSROCIVYBWUZLL-ZWKOTPCHSA-N 1 1 310.441 3.631 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000597175391 1040677984 /nfs/dbraw/zinc/67/79/84/1040677984.db2.gz YPVFIUYBWNBDMQ-CQSZACIVSA-N 1 1 314.820 3.651 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3C[C@]45COC[C@@]4(C3)CCCC5)cc2)CC1 ZINC000597248369 1040711198 /nfs/dbraw/zinc/71/11/98/1040711198.db2.gz ROSRGXLJNAINNP-OYRHEFFESA-N 1 1 322.452 3.634 20 30 DHEDMO C=CCC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000457087437 1041011420 /nfs/dbraw/zinc/01/14/20/1041011420.db2.gz JLSSPLKGQIYDNP-RTBURBONSA-N 1 1 314.473 3.678 20 30 DHEDMO COc1cc2c(cc1OC)[C@@H]([N@@H+](C)Cc1ccc(C#N)cc1)CC2 ZINC000602438415 1041031914 /nfs/dbraw/zinc/03/19/14/1041031914.db2.gz IUPFNTFOSYUIEE-SFHVURJKSA-N 1 1 322.408 3.695 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@H](C)CCC#N)c(OC)c1 ZINC000602437373 1041034211 /nfs/dbraw/zinc/03/42/11/1041034211.db2.gz VTDXGKLDNVOHLE-PBHICJAKSA-N 1 1 302.418 3.781 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1cnc(C)nc1C ZINC000602445144 1041035589 /nfs/dbraw/zinc/03/55/89/1041035589.db2.gz SVEKDICVMNVUFN-OAHLLOKOSA-N 1 1 308.429 3.938 20 30 DHEDMO COc1cc(C[N@@H+](C)C[C@@H](C)CCC#N)c(SC)cc1OC ZINC000602473440 1041050873 /nfs/dbraw/zinc/05/08/73/1041050873.db2.gz RODQQRCJCRSKJL-ZDUSSCGKSA-N 1 1 322.474 3.797 20 30 DHEDMO CC(C)C1CCC(N2CC[NH+](C[C@@H](C)CCC#N)CC2)CC1 ZINC000602480294 1041054426 /nfs/dbraw/zinc/05/44/26/1041054426.db2.gz FREROZJSFFPUTD-VIQWUECVSA-N 1 1 305.510 3.759 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000602487007 1041056076 /nfs/dbraw/zinc/05/60/76/1041056076.db2.gz YBDROOCHIIGZAF-PKOBYXMFSA-N 1 1 300.446 3.650 20 30 DHEDMO C[C@@H](c1cccc(NC2CCC(C#N)CC2)c1)[NH+]1CCOCC1 ZINC000602493616 1041060926 /nfs/dbraw/zinc/06/09/26/1041060926.db2.gz CJNQWIDDTPWMNY-HJOIGYKYSA-N 1 1 313.445 3.574 20 30 DHEDMO CC[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccccc1OC(F)F ZINC000602509807 1041076816 /nfs/dbraw/zinc/07/68/16/1041076816.db2.gz TVVKSOOSXDVPBS-HNNXBMFYSA-N 1 1 317.339 3.796 20 30 DHEDMO C[C@H](CCC#N)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000602569661 1041099565 /nfs/dbraw/zinc/09/95/65/1041099565.db2.gz RAVAJVCPBLUYLU-SQNIBIBYSA-N 1 1 313.489 3.672 20 30 DHEDMO CCC[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(F)cc1F ZINC000602570882 1041103338 /nfs/dbraw/zinc/10/33/38/1041103338.db2.gz XHKSVFLRQJCHAU-QGZVFWFLSA-N 1 1 301.340 3.862 20 30 DHEDMO C[C@H]([NH2+]C1CCC(C#N)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000602590065 1041105941 /nfs/dbraw/zinc/10/59/41/1041105941.db2.gz VSSVELDIJXUAGL-YMPIPDKKSA-N 1 1 311.473 3.569 20 30 DHEDMO COC(=O)c1cccc(-c2ccc(NCCCCC#N)[nH+]c2C)c1 ZINC001168427232 1041106597 /nfs/dbraw/zinc/10/65/97/1041106597.db2.gz KGWSXVULLRQVTI-UHFFFAOYSA-N 1 1 323.396 3.949 20 30 DHEDMO CCOC(=O)C[N@@H+](C[C@H](C)CCC#N)[C@@H](C)c1ccccc1 ZINC000602584501 1041113909 /nfs/dbraw/zinc/11/39/09/1041113909.db2.gz CXORBHSCFANLLT-CVEARBPZSA-N 1 1 302.418 3.553 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000602653591 1041136578 /nfs/dbraw/zinc/13/65/78/1041136578.db2.gz OXCWIGWLBFRSDK-GFCCVEGCSA-N 1 1 323.234 3.583 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000602653591 1041136583 /nfs/dbraw/zinc/13/65/83/1041136583.db2.gz OXCWIGWLBFRSDK-GFCCVEGCSA-N 1 1 323.234 3.583 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000602697867 1041158975 /nfs/dbraw/zinc/15/89/75/1041158975.db2.gz BJHGCVWIDBLRJG-QFBILLFUSA-N 1 1 300.446 3.589 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1ccc(Br)cc1F ZINC000602727585 1041180377 /nfs/dbraw/zinc/18/03/77/1041180377.db2.gz DHUKVVFIWNTMDL-LLVKDONJSA-N 1 1 313.214 3.960 20 30 DHEDMO Cn1cc(C2=CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)cn1 ZINC000602888799 1041291407 /nfs/dbraw/zinc/29/14/07/1041291407.db2.gz RMKUMCCVIWGHBL-UHFFFAOYSA-N 1 1 320.440 3.511 20 30 DHEDMO N#Cc1ccccc1C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000602893082 1041300891 /nfs/dbraw/zinc/30/08/91/1041300891.db2.gz AVFYDLKRVATULY-UHFFFAOYSA-N 1 1 316.408 3.506 20 30 DHEDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@H]1c1ccco1 ZINC000602927069 1041309374 /nfs/dbraw/zinc/30/93/74/1041309374.db2.gz RIXRLSNOIUIUCM-SFHVURJKSA-N 1 1 323.396 3.563 20 30 DHEDMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCC[C@H]1C#N ZINC000602975486 1041334748 /nfs/dbraw/zinc/33/47/48/1041334748.db2.gz BOIMRRIWZYFIGV-ZFWWWQNUSA-N 1 1 312.335 3.752 20 30 DHEDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCC[C@H]1C#N ZINC000602975486 1041334759 /nfs/dbraw/zinc/33/47/59/1041334759.db2.gz BOIMRRIWZYFIGV-ZFWWWQNUSA-N 1 1 312.335 3.752 20 30 DHEDMO CCc1oc2ccccc2c1C[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598584985 1041348896 /nfs/dbraw/zinc/34/88/96/1041348896.db2.gz MCYBZNHOTGKMEM-CQSZACIVSA-N 1 1 314.429 3.728 20 30 DHEDMO COc1ccccc1[C@H]1CCCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598589666 1041350088 /nfs/dbraw/zinc/35/00/88/1041350088.db2.gz UMNGSFKCQQDLGC-DOTOQJQBSA-N 1 1 316.445 3.523 20 30 DHEDMO CC(C)C[N@H+](Cc1ccccc1F)C[C@@H](O)CC(C)(C)C#N ZINC000598590801 1041350432 /nfs/dbraw/zinc/35/04/32/1041350432.db2.gz PSXYLIJCOHCCGY-INIZCTEOSA-N 1 1 306.425 3.584 20 30 DHEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598592560 1041351211 /nfs/dbraw/zinc/35/12/11/1041351211.db2.gz MFKIWPSROQFZAI-XJKSGUPXSA-N 1 1 308.853 3.504 20 30 DHEDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598590171 1041351524 /nfs/dbraw/zinc/35/15/24/1041351524.db2.gz LNEFKHUKZJPTCM-GUDVDZBRSA-N 1 1 314.473 3.945 20 30 DHEDMO C[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H]1c1cccc(F)c1 ZINC000598594252 1041353369 /nfs/dbraw/zinc/35/33/69/1041353369.db2.gz FEIVEFUREMIXAK-XYPHTWIQSA-N 1 1 304.409 3.509 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000598593870 1041353685 /nfs/dbraw/zinc/35/36/85/1041353685.db2.gz XUCHLETZQYHRQY-RTBURBONSA-N 1 1 314.473 3.774 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000598594189 1041354322 /nfs/dbraw/zinc/35/43/22/1041354322.db2.gz ZTZWBWYHKIYXBF-QUCCMNQESA-N 1 1 314.473 3.632 20 30 DHEDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598617626 1041361869 /nfs/dbraw/zinc/36/18/69/1041361869.db2.gz UJQHKOMWUSYUHE-BPQIPLTHSA-N 1 1 300.446 3.760 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000598616575 1041362654 /nfs/dbraw/zinc/36/26/54/1041362654.db2.gz MDNYVFRYAGYOAF-INIZCTEOSA-N 1 1 320.864 3.853 20 30 DHEDMO C[C@@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCc2ccc(Cl)cc21 ZINC000598622004 1041363605 /nfs/dbraw/zinc/36/36/05/1041363605.db2.gz DRVNNYIFLVYNKT-CZUORRHYSA-N 1 1 320.864 3.602 20 30 DHEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000081580682 192296125 /nfs/dbraw/zinc/29/61/25/192296125.db2.gz YSIYJBBWHAPHJB-QRWLVFNGSA-N 1 1 319.408 3.580 20 30 DHEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000081580684 192295829 /nfs/dbraw/zinc/29/58/29/192295829.db2.gz YSIYJBBWHAPHJB-YWZLYKJASA-N 1 1 319.408 3.580 20 30 DHEDMO COc1nc(C)cc(C)c1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425541829 335027997 /nfs/dbraw/zinc/02/79/97/335027997.db2.gz XJOOTIVCBCKBQT-HNNXBMFYSA-N 1 1 309.413 3.772 20 30 DHEDMO COc1nc(C)cc(C)c1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425541829 335027999 /nfs/dbraw/zinc/02/79/99/335027999.db2.gz XJOOTIVCBCKBQT-HNNXBMFYSA-N 1 1 309.413 3.772 20 30 DHEDMO CC(C)[N@@H+](CCCCCn1cccn1)Cc1ccc(C#N)cc1 ZINC000104679389 194026309 /nfs/dbraw/zinc/02/63/09/194026309.db2.gz YCJJUHWIDYTCDF-UHFFFAOYSA-N 1 1 310.445 3.836 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N(C)C1CCCCC1 ZINC000520130357 335050208 /nfs/dbraw/zinc/05/02/08/335050208.db2.gz XDJVRFDDGVTHPG-UHFFFAOYSA-N 1 1 314.473 3.508 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N(C)C1CCCCC1 ZINC000520130357 335050210 /nfs/dbraw/zinc/05/02/10/335050210.db2.gz XDJVRFDDGVTHPG-UHFFFAOYSA-N 1 1 314.473 3.508 20 30 DHEDMO C#Cc1ccc(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000289219555 335060752 /nfs/dbraw/zinc/06/07/52/335060752.db2.gz XJPYILGEXHDWJO-UHFFFAOYSA-N 1 1 320.436 3.664 20 30 DHEDMO C#Cc1ccc(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000289219555 335060754 /nfs/dbraw/zinc/06/07/54/335060754.db2.gz XJPYILGEXHDWJO-UHFFFAOYSA-N 1 1 320.436 3.664 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@H]2c2ccncc2)cc(OC)c1O ZINC000289678643 335062428 /nfs/dbraw/zinc/06/24/28/335062428.db2.gz DYFWFCIKSZAROG-SFHVURJKSA-N 1 1 324.424 3.861 20 30 DHEDMO C[C@@H](Nc1snc(Cl)c1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273041867 130084822 /nfs/dbraw/zinc/08/48/22/130084822.db2.gz WHROXAXVFKNNNE-MNOVXSKESA-N 1 1 324.881 3.733 20 30 DHEDMO N#Cc1ccc(C(F)(F)F)c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000274687408 130254893 /nfs/dbraw/zinc/25/48/93/130254893.db2.gz KPFHUOAWJRUYPA-GFCCVEGCSA-N 1 1 320.318 3.684 20 30 DHEDMO Cc1csc(C2([NH2+]Cc3ccc(F)c(C#N)c3)CCC2)n1 ZINC000275199762 130298019 /nfs/dbraw/zinc/29/80/19/130298019.db2.gz QFCAFEDBWMLOAO-UHFFFAOYSA-N 1 1 301.390 3.631 20 30 DHEDMO COc1ccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)cc1C#N ZINC000340196552 131136900 /nfs/dbraw/zinc/13/69/00/131136900.db2.gz MENHLAAFLUCRNA-SFHVURJKSA-N 1 1 324.449 3.857 20 30 DHEDMO COc1ccc(C[N@H+]2CCSC[C@H]2c2ccccc2)cc1C#N ZINC000340196552 131136901 /nfs/dbraw/zinc/13/69/01/131136901.db2.gz MENHLAAFLUCRNA-SFHVURJKSA-N 1 1 324.449 3.857 20 30 DHEDMO Cc1nsc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1C#N ZINC000285561941 131181750 /nfs/dbraw/zinc/18/17/50/131181750.db2.gz JGXQGAHSZZYMHZ-AWEZNQCLSA-N 1 1 316.430 3.555 20 30 DHEDMO CCOc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1O ZINC000297895838 132039406 /nfs/dbraw/zinc/03/94/06/132039406.db2.gz RHPONLDYIBOANR-UHFFFAOYSA-N 1 1 322.408 3.827 20 30 DHEDMO Cc1[nH+]ccn1CCCN(C)c1ccc(C(F)(F)F)cc1C#N ZINC000120175870 132142228 /nfs/dbraw/zinc/14/22/28/132142228.db2.gz YSNRHNFHUOJYLM-UHFFFAOYSA-N 1 1 322.334 3.609 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCC3(CC(OCC)C3)C2)c1 ZINC000289805887 335065687 /nfs/dbraw/zinc/06/56/87/335065687.db2.gz SOIQQGJSDJAPON-UHFFFAOYSA-N 1 1 301.430 3.642 20 30 DHEDMO C=C[C@H](CC(=O)N1CC[C@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000136646381 335076713 /nfs/dbraw/zinc/07/67/13/335076713.db2.gz GNBRYYHOQBYSMD-QZTJIDSGSA-N 1 1 314.473 3.537 20 30 DHEDMO C=CCC[C@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)c1ccccc1 ZINC000291433164 335082186 /nfs/dbraw/zinc/08/21/86/335082186.db2.gz ZXQHDYSRUABZEC-HKUYNNGSSA-N 1 1 323.440 3.578 20 30 DHEDMO C=CCC(C)(C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000292398465 335089239 /nfs/dbraw/zinc/08/92/39/335089239.db2.gz XXYVXEBPQNKBBT-UHFFFAOYSA-N 1 1 302.462 3.745 20 30 DHEDMO C=C[C@@H](CC(=O)NCCCNc1ccc(C)c[nH+]1)c1ccccc1 ZINC000535375432 435329846 /nfs/dbraw/zinc/32/98/46/435329846.db2.gz GPPQHQIDWXZHOT-KRWDZBQOSA-N 1 1 323.440 3.668 20 30 DHEDMO COc1cc(C[N@@H+]2CCc3cccc(F)c3[C@@H]2C)ccc1C#N ZINC000569430989 332081740 /nfs/dbraw/zinc/08/17/40/332081740.db2.gz GWUGCKLVGBUATA-ZDUSSCGKSA-N 1 1 310.372 3.825 20 30 DHEDMO COc1cc(C[N@H+]2CCc3cccc(F)c3[C@@H]2C)ccc1C#N ZINC000569430989 332081741 /nfs/dbraw/zinc/08/17/41/332081741.db2.gz GWUGCKLVGBUATA-ZDUSSCGKSA-N 1 1 310.372 3.825 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000569450122 332089011 /nfs/dbraw/zinc/08/90/11/332089011.db2.gz UQSFVCYEMFRCNS-SWLSCSKDSA-N 1 1 303.793 3.587 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCS[C@@H](C)CC2)ccc1OC ZINC000426389109 332107234 /nfs/dbraw/zinc/10/72/34/332107234.db2.gz CSKKNLOGQDETIO-HNNXBMFYSA-N 1 1 321.486 3.978 20 30 DHEDMO CC[C@H](C)C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000091796120 332112544 /nfs/dbraw/zinc/11/25/44/332112544.db2.gz LGJYKRWXDLYTRL-INIZCTEOSA-N 1 1 310.445 3.942 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+](CCC)[C@@H](CC)c2ccccc2)C1=O ZINC000410337359 332113773 /nfs/dbraw/zinc/11/37/73/332113773.db2.gz AMVVVWTWVPTIDE-ROUUACIJSA-N 1 1 300.446 3.637 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)C1=O ZINC000410380680 332121358 /nfs/dbraw/zinc/12/13/58/332121358.db2.gz HRMHKCGAGGKXEU-YTQUADARSA-N 1 1 312.457 3.555 20 30 DHEDMO C=CC[C@@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000427234907 332185946 /nfs/dbraw/zinc/18/59/46/332185946.db2.gz QMJVISOEGIKMAU-RTBURBONSA-N 1 1 314.473 3.679 20 30 DHEDMO C=CC[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000427234905 332186151 /nfs/dbraw/zinc/18/61/51/332186151.db2.gz QMJVISOEGIKMAU-OALUTQOASA-N 1 1 314.473 3.679 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000181262640 332188358 /nfs/dbraw/zinc/18/83/58/332188358.db2.gz SDWREQUGMJATPJ-SNVBAGLBSA-N 1 1 301.217 3.828 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000181262640 332188360 /nfs/dbraw/zinc/18/83/60/332188360.db2.gz SDWREQUGMJATPJ-SNVBAGLBSA-N 1 1 301.217 3.828 20 30 DHEDMO C[C@H]1C[C@H](Nc2ccc(C#N)cc2C(F)(F)F)C[N@H+]1C1CC1 ZINC000317815575 332200391 /nfs/dbraw/zinc/20/03/91/332200391.db2.gz YGIZZFJPZVTPJJ-JQWIXIFHSA-N 1 1 309.335 3.614 20 30 DHEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](CCCCC#N)CC3)c2c1 ZINC000102397551 332225399 /nfs/dbraw/zinc/22/53/99/332225399.db2.gz SOKFEIJTYDIMTF-UHFFFAOYSA-N 1 1 309.413 3.959 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000559399385 332255963 /nfs/dbraw/zinc/25/59/63/332255963.db2.gz ACXUHTHZXZNXNY-GOSISDBHSA-N 1 1 312.800 3.865 20 30 DHEDMO CC1(C)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]2CCC[C@@H]21 ZINC000559427737 332257888 /nfs/dbraw/zinc/25/78/88/332257888.db2.gz VSEBLBDJSSZGIB-HOTGVXAUSA-N 1 1 322.412 3.619 20 30 DHEDMO C#CCCOc1ccc(C[NH2+][C@](C)(CC)c2nccs2)cc1 ZINC000152647623 332313498 /nfs/dbraw/zinc/31/34/98/332313498.db2.gz RMTYLDSGQXZCEY-GOSISDBHSA-N 1 1 314.454 3.960 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000152973237 332332375 /nfs/dbraw/zinc/33/23/75/332332375.db2.gz LLOHCDDCOYFGBG-CQSZACIVSA-N 1 1 306.425 3.525 20 30 DHEDMO C=CCCC(=O)CS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000574277718 332339881 /nfs/dbraw/zinc/33/98/81/332339881.db2.gz ZVAUDFVZSXROLH-GOSISDBHSA-N 1 1 303.471 3.920 20 30 DHEDMO C=CCOCC[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000571064701 332395591 /nfs/dbraw/zinc/39/55/91/332395591.db2.gz WRAMNDCNTQKFMA-HNNXBMFYSA-N 1 1 317.326 3.779 20 30 DHEDMO C=CCOCC[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000571064701 332395592 /nfs/dbraw/zinc/39/55/92/332395592.db2.gz WRAMNDCNTQKFMA-HNNXBMFYSA-N 1 1 317.326 3.779 20 30 DHEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Br)cc1 ZINC000352843193 332410398 /nfs/dbraw/zinc/41/03/98/332410398.db2.gz YIZTXCCJYYNUAA-SECBINFHSA-N 1 1 322.231 3.628 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2ncc(CSC)s2)cc1 ZINC000293388396 335108654 /nfs/dbraw/zinc/10/86/54/335108654.db2.gz WUZFTGWCAQOSDA-UHFFFAOYSA-N 1 1 320.483 3.861 20 30 DHEDMO COc1ccc(F)cc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000427850507 332539705 /nfs/dbraw/zinc/53/97/05/332539705.db2.gz JEOYRNNDJWCTKS-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO Cc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cc1 ZINC000341188817 334421893 /nfs/dbraw/zinc/42/18/93/334421893.db2.gz DSVOHVQMFVVQKQ-CQSZACIVSA-N 1 1 318.380 3.768 20 30 DHEDMO C[N@@H+](CCCCC#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000171031920 333044615 /nfs/dbraw/zinc/04/46/15/333044615.db2.gz LBMZZMPULSZDQT-GJZGRUSLSA-N 1 1 313.228 3.577 20 30 DHEDMO Cc1cc(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc(C#N)n1 ZINC000308273487 333060745 /nfs/dbraw/zinc/06/07/45/333060745.db2.gz HVERCEVKKLOSMH-MRXNPFEDSA-N 1 1 308.429 3.584 20 30 DHEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCCC(C)(C)C#N ZINC000174811160 333090931 /nfs/dbraw/zinc/09/09/31/333090931.db2.gz AHJXYOXTYYRKIA-HNNXBMFYSA-N 1 1 311.433 3.590 20 30 DHEDMO CC(C)(C#N)CCC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000174832342 333091557 /nfs/dbraw/zinc/09/15/57/333091557.db2.gz NWFNSDGUQBDTQE-GOSISDBHSA-N 1 1 300.446 3.998 20 30 DHEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@H](c2ccc(F)cc2)O1 ZINC000174874634 333092058 /nfs/dbraw/zinc/09/20/58/333092058.db2.gz ISPQNWYYVJCCLL-WMLDXEAASA-N 1 1 304.409 3.917 20 30 DHEDMO CC(C)[C@H](CO)[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000174865846 333092112 /nfs/dbraw/zinc/09/21/12/333092112.db2.gz UYOSTTQJZNNRCT-SFHVURJKSA-N 1 1 302.462 3.835 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C[C@@H](O)CSC)C(C)(C)C)cc1 ZINC000187942985 333153614 /nfs/dbraw/zinc/15/36/14/333153614.db2.gz HKIBXXOSRNGEQV-MRXNPFEDSA-N 1 1 323.502 3.576 20 30 DHEDMO CC[C@H]1CCCC[N@@H+]1CCN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000181744859 333171858 /nfs/dbraw/zinc/17/18/58/333171858.db2.gz YDUBPULWIYBJMV-WMZOPIPTSA-N 1 1 315.461 3.504 20 30 DHEDMO CC[C@H]1CCCC[N@H+]1CCN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000181744859 333171860 /nfs/dbraw/zinc/17/18/60/333171860.db2.gz YDUBPULWIYBJMV-WMZOPIPTSA-N 1 1 315.461 3.504 20 30 DHEDMO N#CCCCC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182604096 333179049 /nfs/dbraw/zinc/17/90/49/333179049.db2.gz NJBOCPNARFLNHC-HNNXBMFYSA-N 1 1 312.335 3.773 20 30 DHEDMO N#CCCCC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182604096 333179051 /nfs/dbraw/zinc/17/90/51/333179051.db2.gz NJBOCPNARFLNHC-HNNXBMFYSA-N 1 1 312.335 3.773 20 30 DHEDMO N#CCCCC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182604112 333179125 /nfs/dbraw/zinc/17/91/25/333179125.db2.gz NJBOCPNARFLNHC-OAHLLOKOSA-N 1 1 312.335 3.773 20 30 DHEDMO N#CCCCC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000182604112 333179126 /nfs/dbraw/zinc/17/91/26/333179126.db2.gz NJBOCPNARFLNHC-OAHLLOKOSA-N 1 1 312.335 3.773 20 30 DHEDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1nccc(C#N)c1Cl ZINC000309714775 333191378 /nfs/dbraw/zinc/19/13/78/333191378.db2.gz KKEGAJWHAOBIMX-ZDUSSCGKSA-N 1 1 314.820 3.539 20 30 DHEDMO C[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309778942 333196475 /nfs/dbraw/zinc/19/64/75/333196475.db2.gz KDNITOXWBNAZMV-PKOBYXMFSA-N 1 1 313.489 3.817 20 30 DHEDMO C[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309778942 333196479 /nfs/dbraw/zinc/19/64/79/333196479.db2.gz KDNITOXWBNAZMV-PKOBYXMFSA-N 1 1 313.489 3.817 20 30 DHEDMO CC[N@@H+](CCOc1cccc(C#N)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497591210 333266450 /nfs/dbraw/zinc/26/64/50/333266450.db2.gz WCEUDVKJNHQOLE-INIZCTEOSA-N 1 1 319.408 3.892 20 30 DHEDMO C=CCOc1ccccc1CNC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000390575494 333302819 /nfs/dbraw/zinc/30/28/19/333302819.db2.gz DCEVRDMKCYRXMB-SFHVURJKSA-N 1 1 324.468 3.862 20 30 DHEDMO C=CCOc1ccccc1CNC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000390575494 333302820 /nfs/dbraw/zinc/30/28/20/333302820.db2.gz DCEVRDMKCYRXMB-SFHVURJKSA-N 1 1 324.468 3.862 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000185393075 335132541 /nfs/dbraw/zinc/13/25/41/335132541.db2.gz HLQIQUGNINEDPR-OAHLLOKOSA-N 1 1 318.486 3.776 20 30 DHEDMO CC[N@@H+](Cc1ccc(OCc2ccncc2)cc1)C[C@H](C)C#N ZINC000194918463 333317442 /nfs/dbraw/zinc/31/74/42/333317442.db2.gz FZECIEOYCCZHOO-MRXNPFEDSA-N 1 1 309.413 3.642 20 30 DHEDMO CC[N@H+](Cc1ccc(OCc2ccncc2)cc1)C[C@H](C)C#N ZINC000194918463 333317444 /nfs/dbraw/zinc/31/74/44/333317444.db2.gz FZECIEOYCCZHOO-MRXNPFEDSA-N 1 1 309.413 3.642 20 30 DHEDMO C=CCC1(C(=O)N2CCC[C@H](n3cc[nH+]c3C(C)C)C2)CCC1 ZINC000364573566 333325317 /nfs/dbraw/zinc/32/53/17/333325317.db2.gz FRUHTMPITBSTGH-INIZCTEOSA-N 1 1 315.461 3.916 20 30 DHEDMO CC(C)c1nccn1C[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000365235815 333399521 /nfs/dbraw/zinc/39/95/21/333399521.db2.gz YZBXVDSJNRVEKY-LJQANCHMSA-N 1 1 307.441 3.523 20 30 DHEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(F)c(Br)c1 ZINC000339460711 333526240 /nfs/dbraw/zinc/52/62/40/333526240.db2.gz BECNHUYRBVVSCP-GHMZBOCLSA-N 1 1 324.197 3.682 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)N1CCCCC1)c1ccc(F)c(F)c1 ZINC000411551798 333693074 /nfs/dbraw/zinc/69/30/74/333693074.db2.gz OEAYGYBNELOLQM-DYVFJYSZSA-N 1 1 322.399 3.573 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C)CC[C@@H]2CCCO2)ccc1OC ZINC000343477598 335168399 /nfs/dbraw/zinc/16/83/99/335168399.db2.gz WPUSUZUKELHASP-KRWDZBQOSA-N 1 1 319.445 3.651 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1cnc(CC)nc1)c1ccc(F)c(F)c1 ZINC000414439202 333975463 /nfs/dbraw/zinc/97/54/63/333975463.db2.gz WOCLBGVXFOOQLE-KRWDZBQOSA-N 1 1 303.356 3.724 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)c([N+](=O)[O-])c1 ZINC000571646245 334001896 /nfs/dbraw/zinc/00/18/96/334001896.db2.gz OYJBJXGMNYZBBQ-GOSISDBHSA-N 1 1 311.385 3.789 20 30 DHEDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000271085966 334018069 /nfs/dbraw/zinc/01/80/69/334018069.db2.gz UBNQGKVZZTZHNP-HNNXBMFYSA-N 1 1 304.434 3.998 20 30 DHEDMO COc1cc(C[NH+]2CCC(C)(C#N)CC2)c(SC)cc1OC ZINC000272544560 334036884 /nfs/dbraw/zinc/03/68/84/334036884.db2.gz PXPHSEDVQHHMAC-UHFFFAOYSA-N 1 1 320.458 3.551 20 30 DHEDMO C[C@H](c1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1)[NH+]1CCOCC1 ZINC000274235997 334057665 /nfs/dbraw/zinc/05/76/65/334057665.db2.gz ULWRVMDXVJBIAB-JFIYKMOQSA-N 1 1 313.445 3.574 20 30 DHEDMO Cc1cc(Br)ccc1C[N@H+](CCC#N)CC1CC1 ZINC000353420865 334065016 /nfs/dbraw/zinc/06/50/16/334065016.db2.gz VWBWDBBHOVFFGE-UHFFFAOYSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1cc(Br)ccc1C[N@@H+](CCC#N)CC1CC1 ZINC000353420865 334065018 /nfs/dbraw/zinc/06/50/18/334065018.db2.gz VWBWDBBHOVFFGE-UHFFFAOYSA-N 1 1 307.235 3.883 20 30 DHEDMO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC000571654736 334071956 /nfs/dbraw/zinc/07/19/56/334071956.db2.gz VHZWOSQXRGQQFU-FQEVSTJZSA-N 1 1 305.425 3.897 20 30 DHEDMO CC1=C[C@H](C)C[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000430289434 334073909 /nfs/dbraw/zinc/07/39/09/334073909.db2.gz MQXANTIXRZOHSY-NSHDSACASA-N 1 1 305.219 3.719 20 30 DHEDMO CC1=C[C@H](C)C[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000430289434 334073911 /nfs/dbraw/zinc/07/39/11/334073911.db2.gz MQXANTIXRZOHSY-NSHDSACASA-N 1 1 305.219 3.719 20 30 DHEDMO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCCCC(C)(C)C#N ZINC000277787436 334090918 /nfs/dbraw/zinc/09/09/18/334090918.db2.gz SIJGWGSZGFWKQK-INIZCTEOSA-N 1 1 302.418 3.553 20 30 DHEDMO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCCC(C)(C)C#N ZINC000277787436 334090919 /nfs/dbraw/zinc/09/09/19/334090919.db2.gz SIJGWGSZGFWKQK-INIZCTEOSA-N 1 1 302.418 3.553 20 30 DHEDMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCCCC(C)(C)C#N ZINC000278231280 334093779 /nfs/dbraw/zinc/09/37/79/334093779.db2.gz VIMSHLXJBKUCKT-UHFFFAOYSA-N 1 1 315.461 3.894 20 30 DHEDMO COc1ccc(C[N@@H+](CCCCC#N)CCc2ccccn2)cc1 ZINC000280320149 334116264 /nfs/dbraw/zinc/11/62/64/334116264.db2.gz GYFROOZVLJMSLT-UHFFFAOYSA-N 1 1 323.440 3.829 20 30 DHEDMO N#CC1(CCC[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)CCOCC1 ZINC000281921304 334129507 /nfs/dbraw/zinc/12/95/07/334129507.db2.gz HENZKUDHGBVAEQ-KRWDZBQOSA-N 1 1 316.420 3.716 20 30 DHEDMO C[C@@H]1c2ccsc2CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000281959884 334130020 /nfs/dbraw/zinc/13/00/20/334130020.db2.gz KIANNYUSVIILID-CQSZACIVSA-N 1 1 304.459 3.768 20 30 DHEDMO CN1CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1Cc1ccccc1 ZINC000284780653 334144493 /nfs/dbraw/zinc/14/44/93/334144493.db2.gz NXHUYRNNWCWEDF-IBGZPJMESA-N 1 1 313.489 3.565 20 30 DHEDMO C[N@@H+]1CCN(CCCCC(C)(C)C#N)C[C@@H]1Cc1ccccc1 ZINC000284780653 334144494 /nfs/dbraw/zinc/14/44/94/334144494.db2.gz NXHUYRNNWCWEDF-IBGZPJMESA-N 1 1 313.489 3.565 20 30 DHEDMO C[N@H+]1CCN(CCCCC(C)(C)C#N)C[C@@H]1Cc1ccccc1 ZINC000284780653 334144495 /nfs/dbraw/zinc/14/44/95/334144495.db2.gz NXHUYRNNWCWEDF-IBGZPJMESA-N 1 1 313.489 3.565 20 30 DHEDMO CC[C@@](C)(C#N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000284981239 334144951 /nfs/dbraw/zinc/14/49/51/334144951.db2.gz DNRPYLFFXYLQGY-BEFAXECRSA-N 1 1 313.445 3.939 20 30 DHEDMO N#CCSCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000285345962 334147305 /nfs/dbraw/zinc/14/73/05/334147305.db2.gz DGPCJJUPMGNROB-RCCFBDPRSA-N 1 1 300.471 3.901 20 30 DHEDMO CN(CCC[N@@H+](C)CCCCC(C)(C)C#N)Cc1ccco1 ZINC000285782255 334150109 /nfs/dbraw/zinc/15/01/09/334150109.db2.gz UFZZIKOBMCNFJX-UHFFFAOYSA-N 1 1 305.466 3.753 20 30 DHEDMO N#CC1(CCC[N@@H+]2Cc3cccc(Cl)c3C2)CCOCC1 ZINC000287473539 334157768 /nfs/dbraw/zinc/15/77/68/334157768.db2.gz RXZQNHIARPQDFX-UHFFFAOYSA-N 1 1 304.821 3.756 20 30 DHEDMO N#CC1(CCC[N@H+]2Cc3cccc(Cl)c3C2)CCOCC1 ZINC000287473539 334157769 /nfs/dbraw/zinc/15/77/69/334157769.db2.gz RXZQNHIARPQDFX-UHFFFAOYSA-N 1 1 304.821 3.756 20 30 DHEDMO N#CCCCC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000340286821 334160645 /nfs/dbraw/zinc/16/06/45/334160645.db2.gz JOZAKWOBAJGITJ-AWEZNQCLSA-N 1 1 308.223 3.675 20 30 DHEDMO N#CCCCC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000340286821 334160646 /nfs/dbraw/zinc/16/06/46/334160646.db2.gz JOZAKWOBAJGITJ-AWEZNQCLSA-N 1 1 308.223 3.675 20 30 DHEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H](O)Cc1ccccc1 ZINC000293477817 334198177 /nfs/dbraw/zinc/19/81/77/334198177.db2.gz XXLFIACTAILRTE-IBGZPJMESA-N 1 1 322.452 3.523 20 30 DHEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H](O)Cc1ccccc1 ZINC000293477825 334198330 /nfs/dbraw/zinc/19/83/30/334198330.db2.gz XXLFIACTAILRTE-LJQANCHMSA-N 1 1 322.452 3.523 20 30 DHEDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCOCCC#N ZINC000293548250 334199012 /nfs/dbraw/zinc/19/90/12/334199012.db2.gz RABCKTMBPKPMOC-GFCCVEGCSA-N 1 1 300.324 3.628 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C#N)Cc1ccc(Cl)s1 ZINC000048554186 334289941 /nfs/dbraw/zinc/28/99/41/334289941.db2.gz MBNGDRFLLIEZJQ-UHFFFAOYSA-N 1 1 306.818 3.784 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000303858681 334338871 /nfs/dbraw/zinc/33/88/71/334338871.db2.gz GAUFOVZZZWEWJL-LJQANCHMSA-N 1 1 314.473 3.865 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000303858680 334338876 /nfs/dbraw/zinc/33/88/76/334338876.db2.gz GAUFOVZZZWEWJL-IBGZPJMESA-N 1 1 314.473 3.865 20 30 DHEDMO CC[N@H+](Cc1ccccc1C)Cc1cccc(C(=O)OC)c1C#N ZINC000535218543 334380445 /nfs/dbraw/zinc/38/04/45/334380445.db2.gz DOHGQQBUMZUJNH-UHFFFAOYSA-N 1 1 322.408 3.675 20 30 DHEDMO CC[N@@H+](Cc1ccccc1C)Cc1cccc(C(=O)OC)c1C#N ZINC000535218543 334380446 /nfs/dbraw/zinc/38/04/46/334380446.db2.gz DOHGQQBUMZUJNH-UHFFFAOYSA-N 1 1 322.408 3.675 20 30 DHEDMO C[C@@H]1[C@@H](Nc2c(C#N)cccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000340813729 334387337 /nfs/dbraw/zinc/38/73/37/334387337.db2.gz DUMULOFHKBSULB-BEFAXECRSA-N 1 1 316.408 3.505 20 30 DHEDMO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cccc(C#N)c2F)s1 ZINC000340886439 334393256 /nfs/dbraw/zinc/39/32/56/334393256.db2.gz HCFFGGHDIQQQAZ-NSHDSACASA-N 1 1 303.406 3.964 20 30 DHEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cccc(C#N)c2F)s1 ZINC000340886439 334393258 /nfs/dbraw/zinc/39/32/58/334393258.db2.gz HCFFGGHDIQQQAZ-NSHDSACASA-N 1 1 303.406 3.964 20 30 DHEDMO N#CCCC[NH2+][C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000342720090 334568654 /nfs/dbraw/zinc/56/86/54/334568654.db2.gz HCOFMIFLDRNQRS-LJQANCHMSA-N 1 1 317.392 3.985 20 30 DHEDMO Cc1cc(C)n(CC[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000345074625 335296851 /nfs/dbraw/zinc/29/68/51/335296851.db2.gz MLVXTGBKNIEICR-UHFFFAOYSA-N 1 1 310.445 3.530 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)o1 ZINC000345680886 335341520 /nfs/dbraw/zinc/34/15/20/335341520.db2.gz BIISVDIFWRPQMN-OAHLLOKOSA-N 1 1 302.761 3.808 20 30 DHEDMO C=CC[NH+](CC=C)CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000114723918 335818171 /nfs/dbraw/zinc/81/81/71/335818171.db2.gz JRTOMPNXGBBDAV-HNNXBMFYSA-N 1 1 312.413 3.626 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000329628345 336016201 /nfs/dbraw/zinc/01/62/01/336016201.db2.gz HGBBGRJBZXRWTN-GXTWGEPZSA-N 1 1 316.401 3.514 20 30 DHEDMO Cc1[nH+]ccn1CCCN(C)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000167242646 336030132 /nfs/dbraw/zinc/03/01/32/336030132.db2.gz GEQUZQKULDUCSE-UHFFFAOYSA-N 1 1 322.334 3.609 20 30 DHEDMO CC(=O)Nc1cccc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1C ZINC000330270974 336131885 /nfs/dbraw/zinc/13/18/85/336131885.db2.gz VDCRXLXGPONOMX-MRXNPFEDSA-N 1 1 301.390 3.818 20 30 DHEDMO CC(=O)Nc1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)c1C ZINC000330270974 336131887 /nfs/dbraw/zinc/13/18/87/336131887.db2.gz VDCRXLXGPONOMX-MRXNPFEDSA-N 1 1 301.390 3.818 20 30 DHEDMO CCCn1c2ccccc2nc1NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000330271902 336132246 /nfs/dbraw/zinc/13/22/46/336132246.db2.gz WSXDBHSMAPSJCS-MRXNPFEDSA-N 1 1 312.417 3.661 20 30 DHEDMO C[C@@H](C1CC1)n1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cn1 ZINC000330324265 336158366 /nfs/dbraw/zinc/15/83/66/336158366.db2.gz UAVUDRDYHADVAQ-GUYCJALGSA-N 1 1 316.449 3.849 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCc3ccc(O)cc3C2)c1 ZINC000351961156 336183356 /nfs/dbraw/zinc/18/33/56/336183356.db2.gz XQWKLARSPNUUOB-UHFFFAOYSA-N 1 1 322.408 3.633 20 30 DHEDMO N#CCCCOc1cccc(C[N@@H+]2CCc3ccc(O)cc3C2)c1 ZINC000351961156 336183358 /nfs/dbraw/zinc/18/33/58/336183358.db2.gz XQWKLARSPNUUOB-UHFFFAOYSA-N 1 1 322.408 3.633 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(O)cc(F)c1 ZINC000352010432 336188444 /nfs/dbraw/zinc/18/84/44/336188444.db2.gz DNVAOACFEOVGPT-UHFFFAOYSA-N 1 1 301.361 3.728 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(O)cc(F)c1 ZINC000352010432 336188446 /nfs/dbraw/zinc/18/84/46/336188446.db2.gz DNVAOACFEOVGPT-UHFFFAOYSA-N 1 1 301.361 3.728 20 30 DHEDMO CCC[N@H+](Cc1ccc(Cl)cc1C#N)C[C@@H]1CCCCO1 ZINC000480734730 336194730 /nfs/dbraw/zinc/19/47/30/336194730.db2.gz DFWQKFHUBFQVKT-KRWDZBQOSA-N 1 1 306.837 3.993 20 30 DHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000333561797 336205613 /nfs/dbraw/zinc/20/56/13/336205613.db2.gz RSBUHZILLZJACH-VNHYZAJKSA-N 1 1 317.458 3.601 20 30 DHEDMO C[C@@H]1C[C@H](C)CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000352618683 336227183 /nfs/dbraw/zinc/22/71/83/336227183.db2.gz SKZVDGRMVNFTDJ-HZPDHXFCSA-N 1 1 322.456 3.827 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cn2ccccc2c1C#N ZINC000352721754 336232451 /nfs/dbraw/zinc/23/24/51/336232451.db2.gz XAYJPLNUOTUNQI-UHFFFAOYSA-N 1 1 305.381 3.635 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cn2ccccc2c1C#N ZINC000352721754 336232452 /nfs/dbraw/zinc/23/24/52/336232452.db2.gz XAYJPLNUOTUNQI-UHFFFAOYSA-N 1 1 305.381 3.635 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1cccc(C#N)c1 ZINC000352802912 336239706 /nfs/dbraw/zinc/23/97/06/336239706.db2.gz XAKOBXZBEXUBRL-OAHLLOKOSA-N 1 1 310.397 3.783 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000532414617 336245630 /nfs/dbraw/zinc/24/56/30/336245630.db2.gz PGHNIOMKZCSEQK-CQSZACIVSA-N 1 1 308.853 3.757 20 30 DHEDMO N#Cc1csc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000352820930 336256533 /nfs/dbraw/zinc/25/65/33/336256533.db2.gz FEIRNKBZWAZWKS-OAHLLOKOSA-N 1 1 303.818 3.909 20 30 DHEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000532586456 336256599 /nfs/dbraw/zinc/25/65/99/336256599.db2.gz WMCGWTMUIOERNR-DZGCQCFKSA-N 1 1 319.474 3.849 20 30 DHEDMO C[C@H](NCCC[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000192872527 336278534 /nfs/dbraw/zinc/27/85/34/336278534.db2.gz QHXLHDMJXMHGTJ-KRWDZBQOSA-N 1 1 307.441 3.731 20 30 DHEDMO C[C@H]([NH2+]CCCN(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000192872527 336278533 /nfs/dbraw/zinc/27/85/33/336278533.db2.gz QHXLHDMJXMHGTJ-KRWDZBQOSA-N 1 1 307.441 3.731 20 30 DHEDMO C[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000192872527 336278535 /nfs/dbraw/zinc/27/85/35/336278535.db2.gz QHXLHDMJXMHGTJ-KRWDZBQOSA-N 1 1 307.441 3.731 20 30 DHEDMO C=CC[NH+]1CCC(NCc2cscc2C(F)(F)F)CC1 ZINC000352853304 336280210 /nfs/dbraw/zinc/28/02/10/336280210.db2.gz NHYAAIJZIBQAPH-UHFFFAOYSA-N 1 1 304.381 3.507 20 30 DHEDMO N#Cc1ccc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000301110453 336290456 /nfs/dbraw/zinc/29/04/56/336290456.db2.gz MWNJPQWJJACTGL-INIZCTEOSA-N 1 1 311.454 3.944 20 30 DHEDMO C[C@H](CNc1ccc(C#N)cc1F)[N@H+]1CCc2ccccc2C1 ZINC000301163524 336292818 /nfs/dbraw/zinc/29/28/18/336292818.db2.gz UUEQRFSEVZPEEH-CQSZACIVSA-N 1 1 309.388 3.556 20 30 DHEDMO N#Cc1ccc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000301209050 336294976 /nfs/dbraw/zinc/29/49/76/336294976.db2.gz TYULSUXSPZFRCO-LJQANCHMSA-N 1 1 305.425 3.535 20 30 DHEDMO N#Cc1ccc(Cl)cc1NCC[N@H+]1CCc2sccc2C1 ZINC000301254485 336296952 /nfs/dbraw/zinc/29/69/52/336296952.db2.gz CULZXUDCHWHEML-UHFFFAOYSA-N 1 1 317.845 3.743 20 30 DHEDMO N#Cc1cc(F)ccc1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000301378802 336303548 /nfs/dbraw/zinc/30/35/48/336303548.db2.gz XTHIMZUVYBTIER-UHFFFAOYSA-N 1 1 320.371 3.597 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc(C#N)nc2)C1 ZINC000301555656 336314618 /nfs/dbraw/zinc/31/46/18/336314618.db2.gz ZRZDGOCZXGFTET-MRXNPFEDSA-N 1 1 320.440 3.797 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000302036023 336344630 /nfs/dbraw/zinc/34/46/30/336344630.db2.gz JXUJTEIKDASXHX-CVEARBPZSA-N 1 1 315.436 3.788 20 30 DHEDMO CCC[N@H+]1CC[C@@H](CNc2cc(C#N)ccc2C(F)(F)F)C1 ZINC000302235544 336355666 /nfs/dbraw/zinc/35/56/66/336355666.db2.gz IIKWPVPIJAXHKI-ZDUSSCGKSA-N 1 1 311.351 3.721 20 30 DHEDMO Cc1ccc(NCc2ccccc2C[N@H+](C)C(C)C)nc1C#N ZINC000302664629 336364047 /nfs/dbraw/zinc/36/40/47/336364047.db2.gz PSTBZMVWYJWSPD-UHFFFAOYSA-N 1 1 308.429 3.714 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(C)c(C#N)n2)cc1 ZINC000302691285 336365097 /nfs/dbraw/zinc/36/50/97/336365097.db2.gz ZMYPCSSNKRQMQE-AWEZNQCLSA-N 1 1 317.396 3.929 20 30 DHEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000514113249 336365519 /nfs/dbraw/zinc/36/55/19/336365519.db2.gz QIWODXKPXPVHPX-INIZCTEOSA-N 1 1 306.475 3.626 20 30 DHEDMO COCCCC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000352903368 336375498 /nfs/dbraw/zinc/37/54/98/336375498.db2.gz SGBAVQORJHVGLI-MRXNPFEDSA-N 1 1 315.442 3.662 20 30 DHEDMO N#Cc1csc(C[NH2+]Cc2c(F)cccc2N2CCCC2)c1 ZINC000352902812 336375556 /nfs/dbraw/zinc/37/55/56/336375556.db2.gz OFJYMXMKNIGHCD-UHFFFAOYSA-N 1 1 315.417 3.649 20 30 DHEDMO C=C(C)C[N@H+](CC[C@@H]1CCCCO1)Cc1cnn(C(C)C)c1 ZINC000352921251 336377221 /nfs/dbraw/zinc/37/72/21/336377221.db2.gz HFCFTGSEIYUNAQ-SFHVURJKSA-N 1 1 305.466 3.801 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1c(C)nn(CCC)c1C ZINC000352998435 336381563 /nfs/dbraw/zinc/38/15/63/336381563.db2.gz PHGBAAXMBBQCDJ-UHFFFAOYSA-N 1 1 301.434 3.734 20 30 DHEDMO COc1cc2c(cc1C[NH2+][C@@H](CCC#N)c1ccccc1)OCO2 ZINC000353152989 336404761 /nfs/dbraw/zinc/40/47/61/336404761.db2.gz PVNFZLWYBBVAHH-INIZCTEOSA-N 1 1 324.380 3.559 20 30 DHEDMO COCc1nc(C[NH2+][C@H](CCCC#N)c2ccccc2)cs1 ZINC000353912187 336447440 /nfs/dbraw/zinc/44/74/40/336447440.db2.gz DVJWHHBPWHQYJX-MRXNPFEDSA-N 1 1 315.442 3.814 20 30 DHEDMO C[C@@H]([NH2+]Cc1nccn1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000359862472 336690316 /nfs/dbraw/zinc/69/03/16/336690316.db2.gz PKTCQXLFLZOUEU-OAHLLOKOSA-N 1 1 316.408 3.810 20 30 DHEDMO Cc1cnn(-c2ccc([C@H](C)[NH2+]Cc3ccc(C#N)o3)cc2F)c1 ZINC000362907219 336814456 /nfs/dbraw/zinc/81/44/56/336814456.db2.gz SRRHGSSPRVTFHY-ZDUSSCGKSA-N 1 1 324.359 3.635 20 30 DHEDMO C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(C#N)cc1Cl ZINC000367438743 336822713 /nfs/dbraw/zinc/82/27/13/336822713.db2.gz OXQNMBXWSLXUHX-GFCCVEGCSA-N 1 1 314.820 3.595 20 30 DHEDMO Cc1ccc([C@H]2CCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)s1 ZINC000305052205 337011454 /nfs/dbraw/zinc/01/14/54/337011454.db2.gz AONMBYQSMGXOSR-SJORKVTESA-N 1 1 312.438 3.799 20 30 DHEDMO COc1cc(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)ccc1C#N ZINC000375587562 337013927 /nfs/dbraw/zinc/01/39/27/337013927.db2.gz YYLPJJVVFCEKST-RDTXWAMCSA-N 1 1 307.397 3.545 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000123076697 337035145 /nfs/dbraw/zinc/03/51/45/337035145.db2.gz OBBAGJZGRQUUQC-GASCZTMLSA-N 1 1 309.413 3.610 20 30 DHEDMO C=CCCCCC[N@H+](C)C1CCN(Cc2cc(C)no2)CC1 ZINC000377266630 337049815 /nfs/dbraw/zinc/04/98/15/337049815.db2.gz LEQJBPNNKJDPCA-UHFFFAOYSA-N 1 1 305.466 3.626 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)C1CCN(c2ccccc2)CC1 ZINC000377506919 337053938 /nfs/dbraw/zinc/05/39/38/337053938.db2.gz WOQNBCKITSGAHC-UHFFFAOYSA-N 1 1 323.415 3.798 20 30 DHEDMO CC(C)c1nccn1C[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000377726304 337059708 /nfs/dbraw/zinc/05/97/08/337059708.db2.gz XDXFHTVLJAIKSA-SFHVURJKSA-N 1 1 308.429 3.543 20 30 DHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1C[C@@H]2CCCCCC[C@@H]21 ZINC000378153991 337067296 /nfs/dbraw/zinc/06/72/96/337067296.db2.gz LCEQCTFPYIKQGE-GJZGRUSLSA-N 1 1 317.458 3.603 20 30 DHEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000378648960 337077611 /nfs/dbraw/zinc/07/76/11/337077611.db2.gz LHRBEIRXPNBKIQ-UKRRQHHQSA-N 1 1 321.346 3.938 20 30 DHEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000378648960 337077612 /nfs/dbraw/zinc/07/76/12/337077612.db2.gz LHRBEIRXPNBKIQ-UKRRQHHQSA-N 1 1 321.346 3.938 20 30 DHEDMO COc1ccc(N2CCC[N@@H+](CCCC(C)(C)C#N)CC2)cc1 ZINC000174830682 337144927 /nfs/dbraw/zinc/14/49/27/337144927.db2.gz LZVWSBZLCJMZLM-UHFFFAOYSA-N 1 1 315.461 3.537 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H](C)CC ZINC000176984181 337153630 /nfs/dbraw/zinc/15/36/30/337153630.db2.gz CSILGAYIWIQFMH-LBPRGKRZSA-N 1 1 314.351 3.930 20 30 DHEDMO Oc1ccc(C2=CC[N@H+](CC#Cc3ccc(F)cc3)CC2)cc1 ZINC000178655840 337165243 /nfs/dbraw/zinc/16/52/43/337165243.db2.gz IKFMBNYDNHUIQH-UHFFFAOYSA-N 1 1 307.368 3.672 20 30 DHEDMO Oc1ccc(C2=CC[N@@H+](CC#Cc3ccc(F)cc3)CC2)cc1 ZINC000178655840 337165244 /nfs/dbraw/zinc/16/52/44/337165244.db2.gz IKFMBNYDNHUIQH-UHFFFAOYSA-N 1 1 307.368 3.672 20 30 DHEDMO Cn1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(-c2cccs2)n1 ZINC000179683113 337171137 /nfs/dbraw/zinc/17/11/37/337171137.db2.gz JSNJLUSSEADCBN-UHFFFAOYSA-N 1 1 322.437 3.652 20 30 DHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000179928459 337172756 /nfs/dbraw/zinc/17/27/56/337172756.db2.gz NYAWBIOBZMMHDL-HNAYVOBHSA-N 1 1 322.456 3.969 20 30 DHEDMO CCOc1ccc(C2=CC[N@H+](Cc3ccc(C#N)o3)CC2)cc1 ZINC000180662793 337177032 /nfs/dbraw/zinc/17/70/32/337177032.db2.gz LNWHBOWQGRNURN-UHFFFAOYSA-N 1 1 308.381 3.839 20 30 DHEDMO CCOc1ccc(C2=CC[N@@H+](Cc3ccc(C#N)o3)CC2)cc1 ZINC000180662793 337177033 /nfs/dbraw/zinc/17/70/33/337177033.db2.gz LNWHBOWQGRNURN-UHFFFAOYSA-N 1 1 308.381 3.839 20 30 DHEDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000185478800 337205675 /nfs/dbraw/zinc/20/56/75/337205675.db2.gz LVRMFLKUWSABSJ-ZDUSSCGKSA-N 1 1 315.417 3.642 20 30 DHEDMO COc1ccc2nc(C[N@H+](C)Cc3cccc(C#N)c3)sc2c1 ZINC000186495217 337256653 /nfs/dbraw/zinc/25/66/53/337256653.db2.gz XLTBKHHMWHDHNM-UHFFFAOYSA-N 1 1 323.421 3.809 20 30 DHEDMO COc1ccc2nc(C[N@@H+](C)Cc3cccc(C#N)c3)sc2c1 ZINC000186495217 337256654 /nfs/dbraw/zinc/25/66/54/337256654.db2.gz XLTBKHHMWHDHNM-UHFFFAOYSA-N 1 1 323.421 3.809 20 30 DHEDMO C=CCC1(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCC1 ZINC000188683843 337274972 /nfs/dbraw/zinc/27/49/72/337274972.db2.gz VBFXNXJVAITUHE-QGZVFWFLSA-N 1 1 314.473 3.760 20 30 DHEDMO CCc1oc2ccccc2c1C[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191193334 337294712 /nfs/dbraw/zinc/29/47/12/337294712.db2.gz GZNSRSZWOOGFAG-UHFFFAOYSA-N 1 1 307.397 3.837 20 30 DHEDMO C[C@@H]1SCC[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H]1c1ccccc1 ZINC000191384147 337296383 /nfs/dbraw/zinc/29/63/83/337296383.db2.gz JRTWUYWRICAFCD-KSSFIOAISA-N 1 1 311.454 3.575 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)c(F)c2)C2CC2)cc1 ZINC000191876319 337300756 /nfs/dbraw/zinc/30/07/56/337300756.db2.gz YFGPYNGIIRYSMJ-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO Cc1cnc([C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C2CC2)s1 ZINC000192178127 337303830 /nfs/dbraw/zinc/30/38/30/337303830.db2.gz XSIUZLKYOOAIEW-HNNXBMFYSA-N 1 1 301.390 3.703 20 30 DHEDMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000583310375 337313463 /nfs/dbraw/zinc/31/34/63/337313463.db2.gz PJPPRWMEZDEUAO-OCCSQVGLSA-N 1 1 312.335 3.708 20 30 DHEDMO C=C(C)C[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000103479338 337386635 /nfs/dbraw/zinc/38/66/35/337386635.db2.gz TYNUNSTYKHSQHT-AWEZNQCLSA-N 1 1 301.365 3.631 20 30 DHEDMO CC[N@@H+](CC1(O)CCC(C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000532927074 337393245 /nfs/dbraw/zinc/39/32/45/337393245.db2.gz SHDHISMXTMFEPS-KOHRHEQBSA-N 1 1 300.446 3.882 20 30 DHEDMO CCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(C)C ZINC000532927338 337393286 /nfs/dbraw/zinc/39/32/86/337393286.db2.gz ALWZIPYJCFZTHD-UHFFFAOYSA-N 1 1 307.825 3.518 20 30 DHEDMO C=CC[N@H+](CCCCCn1cccn1)Cc1ccccc1F ZINC000532930598 337393396 /nfs/dbraw/zinc/39/33/96/337393396.db2.gz FJBYNUFKCHWGMF-UHFFFAOYSA-N 1 1 301.409 3.881 20 30 DHEDMO C=CCn1cc(C[NH2+][C@@H](c2cc3ccccc3o2)C(C)C)nn1 ZINC000424299665 337817365 /nfs/dbraw/zinc/81/73/65/337817365.db2.gz VWHGFLSFLBBIOR-GOSISDBHSA-N 1 1 310.401 3.697 20 30 DHEDMO CC(C)[C@H](CC[N@@H+](C)[C@@H](C)CCC#N)NC(=O)OC(C)(C)C ZINC000496728763 340011447 /nfs/dbraw/zinc/01/14/47/340011447.db2.gz XCOTULJLAFQSKF-GJZGRUSLSA-N 1 1 311.470 3.550 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000084137980 338000253 /nfs/dbraw/zinc/00/02/53/338000253.db2.gz LEAGEDXOVZAKEC-UHFFFAOYSA-N 1 1 300.299 3.862 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000084137980 338000254 /nfs/dbraw/zinc/00/02/54/338000254.db2.gz LEAGEDXOVZAKEC-UHFFFAOYSA-N 1 1 300.299 3.862 20 30 DHEDMO CC(C)n1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000516228036 338008187 /nfs/dbraw/zinc/00/81/87/338008187.db2.gz HTIRJCDIGPJTGN-LJQANCHMSA-N 1 1 308.429 3.893 20 30 DHEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)CC1(O)CCCCCC1 ZINC000426200924 338022784 /nfs/dbraw/zinc/02/27/84/338022784.db2.gz KEFCJIWXBGJSQI-UHFFFAOYSA-N 1 1 306.837 3.729 20 30 DHEDMO Cc1ccc(C)n1C1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428223237 338042965 /nfs/dbraw/zinc/04/29/65/338042965.db2.gz AGZJLXNTUURNHD-UHFFFAOYSA-N 1 1 311.404 3.953 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000428249155 338044440 /nfs/dbraw/zinc/04/44/40/338044440.db2.gz RQOSALUCIHHAMT-MRXNPFEDSA-N 1 1 302.393 3.621 20 30 DHEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(-n2cccn2)c1 ZINC000428335107 338047786 /nfs/dbraw/zinc/04/77/86/338047786.db2.gz XGAUUWGDLHLNRG-AWEZNQCLSA-N 1 1 320.371 3.734 20 30 DHEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(-n2cccn2)cc1 ZINC000428342920 338048037 /nfs/dbraw/zinc/04/80/37/338048037.db2.gz YXAQLHSRGYGDRQ-AWEZNQCLSA-N 1 1 320.371 3.734 20 30 DHEDMO N#Cc1c(F)cccc1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000428362870 338048889 /nfs/dbraw/zinc/04/88/89/338048889.db2.gz KAXGPHNCTIYVOW-UHFFFAOYSA-N 1 1 310.372 3.783 20 30 DHEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428374014 338049152 /nfs/dbraw/zinc/04/91/52/338049152.db2.gz MRYITVSHGFAQRG-ORAYPTAESA-N 1 1 310.372 3.521 20 30 DHEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428374014 338049153 /nfs/dbraw/zinc/04/91/53/338049153.db2.gz MRYITVSHGFAQRG-ORAYPTAESA-N 1 1 310.372 3.521 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000428386252 338049782 /nfs/dbraw/zinc/04/97/82/338049782.db2.gz HTJZKLNQFCBSIC-KRWDZBQOSA-N 1 1 309.388 3.774 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000428386252 338049783 /nfs/dbraw/zinc/04/97/83/338049783.db2.gz HTJZKLNQFCBSIC-KRWDZBQOSA-N 1 1 309.388 3.774 20 30 DHEDMO Cc1cc(C)c(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1 ZINC000428784517 338061042 /nfs/dbraw/zinc/06/10/42/338061042.db2.gz TUFJMPNYLMPZIW-GOSISDBHSA-N 1 1 321.424 3.532 20 30 DHEDMO C=CC[N@@H+](CCC#N)CCCCCn1c(C)nc2ccccc21 ZINC000428837040 338061690 /nfs/dbraw/zinc/06/16/90/338061690.db2.gz VSNXFOLYNPMOAF-UHFFFAOYSA-N 1 1 310.445 3.917 20 30 DHEDMO C=CC[N@H+](CCC#N)CCCCCn1c(C)nc2ccccc21 ZINC000428837040 338061691 /nfs/dbraw/zinc/06/16/91/338061691.db2.gz VSNXFOLYNPMOAF-UHFFFAOYSA-N 1 1 310.445 3.917 20 30 DHEDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000429161966 338072170 /nfs/dbraw/zinc/07/21/70/338072170.db2.gz RHPURZAORYBKAK-KXBFYZLASA-N 1 1 306.409 3.570 20 30 DHEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1(CO)CCC1 ZINC000429256482 338075036 /nfs/dbraw/zinc/07/50/36/338075036.db2.gz WLPCPXPYDOKGGI-UHFFFAOYSA-N 1 1 306.409 3.572 20 30 DHEDMO N#CCC1(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000430017568 338093504 /nfs/dbraw/zinc/09/35/04/338093504.db2.gz DALHKUWFHLGKJC-UHFFFAOYSA-N 1 1 301.390 3.733 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2OC)nc1 ZINC000430072514 338094855 /nfs/dbraw/zinc/09/48/55/338094855.db2.gz TXMNEQMZJDJJNG-INIZCTEOSA-N 1 1 309.413 3.693 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2OC)nc1 ZINC000430072515 338094953 /nfs/dbraw/zinc/09/49/53/338094953.db2.gz TXMNEQMZJDJJNG-MRXNPFEDSA-N 1 1 309.413 3.693 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C)C2)cc1OCCCC#N ZINC000433050594 338178668 /nfs/dbraw/zinc/17/86/68/338178668.db2.gz CGPOPZYMWUDAAJ-RDJZCZTQSA-N 1 1 316.445 3.998 20 30 DHEDMO N#CC1(CCC[N@H+]2CCC[C@H](c3ccccc3)C2)CCOCC1 ZINC000433067935 338179956 /nfs/dbraw/zinc/17/99/56/338179956.db2.gz PJXVGYVZXCENBX-IBGZPJMESA-N 1 1 312.457 3.967 20 30 DHEDMO CC[C@@H](C)[C@H](C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000436244398 338263218 /nfs/dbraw/zinc/26/32/18/338263218.db2.gz YTEYVQUOMVSMLM-CABCVRRESA-N 1 1 313.445 3.786 20 30 DHEDMO CC(C)[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000438346372 338340616 /nfs/dbraw/zinc/34/06/16/338340616.db2.gz KSXORAUFRXBHSV-SFHVURJKSA-N 1 1 322.456 3.827 20 30 DHEDMO COC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000439445327 338369610 /nfs/dbraw/zinc/36/96/10/338369610.db2.gz CIDGMVUKUGYMSC-KRWDZBQOSA-N 1 1 300.789 3.689 20 30 DHEDMO C[N@H+](CCOc1ccccc1)Cc1ccc(C#N)cc1Cl ZINC000439454550 338369985 /nfs/dbraw/zinc/36/99/85/338369985.db2.gz RZWCGGFQUYLYHV-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO C[N@@H+](CCOc1ccccc1)Cc1ccc(C#N)cc1Cl ZINC000439454550 338369986 /nfs/dbraw/zinc/36/99/86/338369986.db2.gz RZWCGGFQUYLYHV-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO N#C[C@H]1CC[C@H]([NH2+]Cc2csc(CCc3ccccc3)n2)C1 ZINC000442777945 338430601 /nfs/dbraw/zinc/43/06/01/338430601.db2.gz JILSXZUJXFJDAC-HOTGVXAUSA-N 1 1 311.454 3.710 20 30 DHEDMO N#CC1(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)CC1 ZINC000447431792 338552121 /nfs/dbraw/zinc/55/21/21/338552121.db2.gz PJAQYTKBNGXVQZ-UHFFFAOYSA-N 1 1 324.346 3.604 20 30 DHEDMO COCCSc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC000450666747 338697191 /nfs/dbraw/zinc/69/71/91/338697191.db2.gz INFZFSUFFIXEQE-AWEZNQCLSA-N 1 1 304.459 3.770 20 30 DHEDMO COc1cccnc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000453382772 338835444 /nfs/dbraw/zinc/83/54/44/338835444.db2.gz ZOINVFUEDIICLK-QGZVFWFLSA-N 1 1 307.397 3.519 20 30 DHEDMO C=C(CC)CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000458540910 339000512 /nfs/dbraw/zinc/00/05/12/339000512.db2.gz VLBSUFMXKAMBFR-CQSZACIVSA-N 1 1 312.417 3.507 20 30 DHEDMO C=CCC1(CNC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)CCCC1 ZINC000459056260 339012358 /nfs/dbraw/zinc/01/23/58/339012358.db2.gz WIWGQNZTUMFNSG-IAGOWNOFSA-N 1 1 321.509 3.637 20 30 DHEDMO C=CC[C@@H]1N(C(=O)NCCCC[N@H+](C)C2CC2)CCCC1(C)C ZINC000459148729 339014802 /nfs/dbraw/zinc/01/48/02/339014802.db2.gz GCSOFAZRVHCCLR-KRWDZBQOSA-N 1 1 321.509 3.637 20 30 DHEDMO C[C@@H](C[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000459326972 339021922 /nfs/dbraw/zinc/02/19/22/339021922.db2.gz NVSLAXKDBQZWTN-AWEZNQCLSA-N 1 1 309.369 3.702 20 30 DHEDMO C[C@@H](C[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000459326972 339021923 /nfs/dbraw/zinc/02/19/23/339021923.db2.gz NVSLAXKDBQZWTN-AWEZNQCLSA-N 1 1 309.369 3.702 20 30 DHEDMO CC(C)(C#N)C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459493472 339032521 /nfs/dbraw/zinc/03/25/21/339032521.db2.gz YMCGCGOKCJRPOQ-UHFFFAOYSA-N 1 1 323.444 3.700 20 30 DHEDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000459569253 339036339 /nfs/dbraw/zinc/03/63/39/339036339.db2.gz YIKLLPOPVFMIIP-SFHVURJKSA-N 1 1 308.466 3.760 20 30 DHEDMO CC(C)C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1cnn(C)c1 ZINC000459584084 339037301 /nfs/dbraw/zinc/03/73/01/339037301.db2.gz AYPMFVPDTMZTAX-UHFFFAOYSA-N 1 1 315.848 3.583 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459667855 339041819 /nfs/dbraw/zinc/04/18/19/339041819.db2.gz SLRXCUCJXFVEOJ-ZDUSSCGKSA-N 1 1 318.383 3.607 20 30 DHEDMO Cn1cc(C[N@@H+](C)C2CC(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000459721799 339044238 /nfs/dbraw/zinc/04/42/38/339044238.db2.gz AYHXYJHLVVVUMJ-UHFFFAOYSA-N 1 1 308.429 3.579 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000459744318 339045696 /nfs/dbraw/zinc/04/56/96/339045696.db2.gz DSPWKZOCOYFRPD-VQTJNVASSA-N 1 1 315.457 3.624 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc(F)cc2C#N)C1 ZINC000462791579 339088962 /nfs/dbraw/zinc/08/89/62/339088962.db2.gz XNPMQDLLXPJJSG-GASCZTMLSA-N 1 1 303.425 3.867 20 30 DHEDMO C=CCNC(=O)C[N@H+](Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000463228213 339110423 /nfs/dbraw/zinc/11/04/23/339110423.db2.gz AKAGQEMNRMTPKZ-QGZVFWFLSA-N 1 1 308.425 3.552 20 30 DHEDMO C=CCNC(=O)C[N@@H+](Cc1ccccc1)[C@H](C)c1ccccc1 ZINC000463228213 339110424 /nfs/dbraw/zinc/11/04/24/339110424.db2.gz AKAGQEMNRMTPKZ-QGZVFWFLSA-N 1 1 308.425 3.552 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000464527757 339144276 /nfs/dbraw/zinc/14/42/76/339144276.db2.gz RQDXEPFWEHTHDD-QFBILLFUSA-N 1 1 314.473 3.542 20 30 DHEDMO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466309757 339199105 /nfs/dbraw/zinc/19/91/05/339199105.db2.gz YBRNJVGQEJPWFC-GOSISDBHSA-N 1 1 321.509 3.639 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000466317214 339199451 /nfs/dbraw/zinc/19/94/51/339199451.db2.gz KGEJXPAUOBDMPK-PKOBYXMFSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000466379519 339201626 /nfs/dbraw/zinc/20/16/26/339201626.db2.gz YSWNLKCJEADJNL-QGZVFWFLSA-N 1 1 317.477 3.551 20 30 DHEDMO C=CC[C@H](CC)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000466538187 339208699 /nfs/dbraw/zinc/20/86/99/339208699.db2.gz ASRGHOZCRDXASS-ZWKOTPCHSA-N 1 1 318.436 3.651 20 30 DHEDMO C=CC[C@H](CC)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000466538187 339208700 /nfs/dbraw/zinc/20/87/00/339208700.db2.gz ASRGHOZCRDXASS-ZWKOTPCHSA-N 1 1 318.436 3.651 20 30 DHEDMO C=CCC[N@H+](C)CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000467287401 339229975 /nfs/dbraw/zinc/22/99/75/339229975.db2.gz GYXOCNCTBCSZAZ-UHFFFAOYSA-N 1 1 322.452 3.790 20 30 DHEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000467294542 339230101 /nfs/dbraw/zinc/23/01/01/339230101.db2.gz ADYUEPNJOBOLDG-JKSUJKDBSA-N 1 1 310.441 3.913 20 30 DHEDMO C=CCC[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000467301299 339230428 /nfs/dbraw/zinc/23/04/28/339230428.db2.gz ZZPFASDIFWTZSM-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CCCC[C@H](CCOC)C1 ZINC000468698966 339269129 /nfs/dbraw/zinc/26/91/29/339269129.db2.gz QVTRQSWNKCWMEH-QGZVFWFLSA-N 1 1 303.446 3.890 20 30 DHEDMO CC[C@@H](C[N@H+](C)CCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000469735646 339297321 /nfs/dbraw/zinc/29/73/21/339297321.db2.gz UEOUOMALTCWFGJ-NSHDSACASA-N 1 1 301.217 3.996 20 30 DHEDMO CC[C@@H](C[N@@H+](C)CCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000469735646 339297322 /nfs/dbraw/zinc/29/73/22/339297322.db2.gz UEOUOMALTCWFGJ-NSHDSACASA-N 1 1 301.217 3.996 20 30 DHEDMO C=CCOCCC[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000470761126 339327013 /nfs/dbraw/zinc/32/70/13/339327013.db2.gz VFBINWFJTDVKPY-ULQDDVLXSA-N 1 1 323.477 3.554 20 30 DHEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000470948608 339332095 /nfs/dbraw/zinc/33/20/95/339332095.db2.gz PVXMUQOKQDOLNC-RISCZKNCSA-N 1 1 301.739 3.964 20 30 DHEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000470948608 339332096 /nfs/dbraw/zinc/33/20/96/339332096.db2.gz PVXMUQOKQDOLNC-RISCZKNCSA-N 1 1 301.739 3.964 20 30 DHEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472241092 339367201 /nfs/dbraw/zinc/36/72/01/339367201.db2.gz PJZMUJGCTDPFFM-HZPDHXFCSA-N 1 1 323.440 3.858 20 30 DHEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472241095 339367239 /nfs/dbraw/zinc/36/72/39/339367239.db2.gz PJZMUJGCTDPFFM-JKSUJKDBSA-N 1 1 323.440 3.858 20 30 DHEDMO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472241091 339367260 /nfs/dbraw/zinc/36/72/60/339367260.db2.gz PJZMUJGCTDPFFM-HOTGVXAUSA-N 1 1 323.440 3.858 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000472743332 339376660 /nfs/dbraw/zinc/37/66/60/339376660.db2.gz BAJOVKQTEAVRCQ-INIZCTEOSA-N 1 1 324.262 3.741 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1CC=C(c2c[nH]c3cc(C)ccc32)CC1 ZINC000472773930 339377377 /nfs/dbraw/zinc/37/73/77/339377377.db2.gz RHUPIHPNLJQMOK-KRWDZBQOSA-N 1 1 310.441 3.893 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1nc(C)ccc1O)c1ccc(F)c(F)c1 ZINC000479421718 339534186 /nfs/dbraw/zinc/53/41/86/339534186.db2.gz RSZBJLUXQFTUTG-KRWDZBQOSA-N 1 1 304.340 3.781 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2oc(CCC)nc2C)cc1 ZINC000492020883 339889371 /nfs/dbraw/zinc/88/93/71/339889371.db2.gz DSNAHSIHYXYBNU-UHFFFAOYSA-N 1 1 300.402 3.790 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000498651708 340021539 /nfs/dbraw/zinc/02/15/39/340021539.db2.gz AXMSOVZESWOWJA-QGZVFWFLSA-N 1 1 313.445 3.691 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000499047177 340028359 /nfs/dbraw/zinc/02/83/59/340028359.db2.gz BJLFEFIIVGVWGT-BFYDXBDKSA-N 1 1 320.502 3.820 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000499047177 340028360 /nfs/dbraw/zinc/02/83/60/340028360.db2.gz BJLFEFIIVGVWGT-BFYDXBDKSA-N 1 1 320.502 3.820 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)NC1CCCCC1 ZINC000499048822 340028464 /nfs/dbraw/zinc/02/84/64/340028464.db2.gz TVZATGNSVOEICS-AWEZNQCLSA-N 1 1 306.475 3.574 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NC1CCCCC1 ZINC000499048822 340028465 /nfs/dbraw/zinc/02/84/65/340028465.db2.gz TVZATGNSVOEICS-AWEZNQCLSA-N 1 1 306.475 3.574 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000501207938 340076238 /nfs/dbraw/zinc/07/62/38/340076238.db2.gz VXTDPMJFXVNPDZ-LJQANCHMSA-N 1 1 306.409 3.556 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000501218741 340076381 /nfs/dbraw/zinc/07/63/81/340076381.db2.gz RLUJEIKMAROINZ-BEFAXECRSA-N 1 1 306.409 3.945 20 30 DHEDMO N#CC1(C[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)CC1 ZINC000501531155 340082934 /nfs/dbraw/zinc/08/29/34/340082934.db2.gz JLSACYXEKKDIIG-AWEZNQCLSA-N 1 1 304.821 3.735 20 30 DHEDMO N#CC1(C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)CC1 ZINC000501531155 340082935 /nfs/dbraw/zinc/08/29/35/340082935.db2.gz JLSACYXEKKDIIG-AWEZNQCLSA-N 1 1 304.821 3.735 20 30 DHEDMO CCC[N@@H+](CCCCC#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502932213 340116920 /nfs/dbraw/zinc/11/69/20/340116920.db2.gz UYYGVTLGZZJKAO-INIZCTEOSA-N 1 1 301.434 3.810 20 30 DHEDMO Cc1cc(Nc2cnccc2C#N)c[nH+]c1N1CCCC[C@@H]1C ZINC000503273802 340124464 /nfs/dbraw/zinc/12/44/64/340124464.db2.gz FFQIGKQIGPPMEN-AWEZNQCLSA-N 1 1 307.401 3.779 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000505016733 340158890 /nfs/dbraw/zinc/15/88/90/340158890.db2.gz LMCFWDNVAUNHAR-SFHVURJKSA-N 1 1 315.461 3.609 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2CC)ccc1OC ZINC000505597530 340172271 /nfs/dbraw/zinc/17/22/71/340172271.db2.gz RPVGSCONAKHJLA-RDJZCZTQSA-N 1 1 319.445 3.649 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2CC)ccc1OC ZINC000505597530 340172272 /nfs/dbraw/zinc/17/22/72/340172272.db2.gz RPVGSCONAKHJLA-RDJZCZTQSA-N 1 1 319.445 3.649 20 30 DHEDMO C[C@H](C#N)C[N@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000505778316 340177706 /nfs/dbraw/zinc/17/77/06/340177706.db2.gz UIPJGFROBQEMAE-MRXNPFEDSA-N 1 1 321.424 3.774 20 30 DHEDMO C[C@H](C#N)C[N@@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000505778316 340177707 /nfs/dbraw/zinc/17/77/07/340177707.db2.gz UIPJGFROBQEMAE-MRXNPFEDSA-N 1 1 321.424 3.774 20 30 DHEDMO Cc1ccc([C@H](C)[N@@H+](C)Cc2cnc3ccc(C#N)cn23)cc1 ZINC000507193126 340212399 /nfs/dbraw/zinc/21/23/99/340212399.db2.gz NGHNLKFAISJDNY-HNNXBMFYSA-N 1 1 304.397 3.707 20 30 DHEDMO C[N@H+](CCC(=O)Nc1ccccc1C#N)CCC1CCCCC1 ZINC000507604229 340225961 /nfs/dbraw/zinc/22/59/61/340225961.db2.gz ZTXSBCVLYYRFEL-UHFFFAOYSA-N 1 1 313.445 3.789 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000507690372 340228283 /nfs/dbraw/zinc/22/82/83/340228283.db2.gz YGVQZNWCLCUTSS-HNNXBMFYSA-N 1 1 306.425 3.633 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCO[C@H](CC)C1 ZINC000507779027 340230939 /nfs/dbraw/zinc/23/09/39/340230939.db2.gz TYQSNCBSQXMOHI-SJLPKXTDSA-N 1 1 318.417 3.788 20 30 DHEDMO Cc1cc(C[NH2+]Cc2ccsc2Br)ccc1C#N ZINC000509438076 340269485 /nfs/dbraw/zinc/26/94/85/340269485.db2.gz KAVASRJAXAJMPE-UHFFFAOYSA-N 1 1 321.243 3.981 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000302734795 340280232 /nfs/dbraw/zinc/28/02/32/340280232.db2.gz BLWMVHCDALQLOM-CQSZACIVSA-N 1 1 304.459 3.635 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000302734795 340280233 /nfs/dbraw/zinc/28/02/33/340280233.db2.gz BLWMVHCDALQLOM-CQSZACIVSA-N 1 1 304.459 3.635 20 30 DHEDMO C=CCCCC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510128243 340289845 /nfs/dbraw/zinc/28/98/45/340289845.db2.gz AWBQPDYVKVIUIJ-MJGOQNOKSA-N 1 1 314.473 3.760 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2c(F)cc(C#N)cc2F)C1 ZINC000303063567 340299742 /nfs/dbraw/zinc/29/97/42/340299742.db2.gz YXLNEGWNBHZGDJ-BETUJISGSA-N 1 1 307.388 3.616 20 30 DHEDMO C[C@H]1C[C@H](CCNc2ccc(C#N)nc2)C[N@H+]1Cc1ccccc1 ZINC000511602754 340332070 /nfs/dbraw/zinc/33/20/70/340332070.db2.gz GFRTVROZXYFYSB-WMZOPIPTSA-N 1 1 320.440 3.666 20 30 DHEDMO C=C(C)C[N@@H+](CCCCC(F)(F)F)Cc1ccc(CO)o1 ZINC000512147246 340349797 /nfs/dbraw/zinc/34/97/97/340349797.db2.gz KANJPTHZQVYAGQ-UHFFFAOYSA-N 1 1 305.340 3.883 20 30 DHEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000512445113 340361987 /nfs/dbraw/zinc/36/19/87/340361987.db2.gz WNIKFESLLZTAGO-CXAGYDPISA-N 1 1 306.837 3.727 20 30 DHEDMO C=CCOc1ccc(CN2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000512506177 340364741 /nfs/dbraw/zinc/36/47/41/340364741.db2.gz IBFMJEFQTMROPD-UHFFFAOYSA-N 1 1 314.473 3.702 20 30 DHEDMO COC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000512617966 340369191 /nfs/dbraw/zinc/36/91/91/340369191.db2.gz HDKGEGDJBUADRI-KZULUSFZSA-N 1 1 316.351 3.875 20 30 DHEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000512705793 340373767 /nfs/dbraw/zinc/37/37/67/340373767.db2.gz PZVPRAJLZRIMEP-IBGZPJMESA-N 1 1 306.409 3.774 20 30 DHEDMO COCC[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(C)o1 ZINC000542578567 341014369 /nfs/dbraw/zinc/01/43/69/341014369.db2.gz OIYUAMVRPRXOBT-KRWDZBQOSA-N 1 1 317.816 3.960 20 30 DHEDMO CN(CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 ZINC000543249286 341038240 /nfs/dbraw/zinc/03/82/40/341038240.db2.gz HAWNMKCFTOVGFR-UHFFFAOYSA-N 1 1 305.425 3.659 20 30 DHEDMO N#CCC1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000543810653 341060226 /nfs/dbraw/zinc/06/02/26/341060226.db2.gz JTVKOABEHKYIIO-UHFFFAOYSA-N 1 1 316.792 3.516 20 30 DHEDMO Cn1cc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000544366493 341078434 /nfs/dbraw/zinc/07/84/34/341078434.db2.gz VEAKCPYYKZIUOX-GOSISDBHSA-N 1 1 322.456 3.827 20 30 DHEDMO CCC[C@@H]1CN(CCC(C)(C)C#N)CC[N@H+]1CCC(C)(C)C#N ZINC000131927881 341113650 /nfs/dbraw/zinc/11/36/50/341113650.db2.gz MBIDOYQLPUUEPO-QGZVFWFLSA-N 1 1 318.509 3.652 20 30 DHEDMO CCC[C@@H]1C[N@@H+](CCC(C)(C)C#N)CCN1CCC(C)(C)C#N ZINC000131927881 341113652 /nfs/dbraw/zinc/11/36/52/341113652.db2.gz MBIDOYQLPUUEPO-QGZVFWFLSA-N 1 1 318.509 3.652 20 30 DHEDMO COCC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000546030738 341151980 /nfs/dbraw/zinc/15/19/80/341151980.db2.gz MVARXXSLPQIZGM-UHFFFAOYSA-N 1 1 306.409 3.836 20 30 DHEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000134221613 341209983 /nfs/dbraw/zinc/20/99/83/341209983.db2.gz REQOQNCKIFVKFT-ORAYPTAESA-N 1 1 310.372 3.521 20 30 DHEDMO C[N@@H+](CC#Cc1ccccc1Cl)[C@@H](CCO)c1ccccc1 ZINC000135104401 341230986 /nfs/dbraw/zinc/23/09/86/341230986.db2.gz WEGOPCMWDGQMOR-IBGZPJMESA-N 1 1 313.828 3.747 20 30 DHEDMO CC(C)[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CCOCC1 ZINC000135246793 341234147 /nfs/dbraw/zinc/23/41/47/341234147.db2.gz OAHKMBFIRIWQFF-UHFFFAOYSA-N 1 1 300.446 3.877 20 30 DHEDMO C=CCOCC[N@H+](Cc1cccs1)Cc1ccccc1OC ZINC000549337118 341291513 /nfs/dbraw/zinc/29/15/13/341291513.db2.gz IJVJTIMQNQOZNC-UHFFFAOYSA-N 1 1 317.454 3.962 20 30 DHEDMO C=CCOCC[N@@H+](Cc1cccs1)Cc1ccccc1OC ZINC000549337118 341291514 /nfs/dbraw/zinc/29/15/14/341291514.db2.gz IJVJTIMQNQOZNC-UHFFFAOYSA-N 1 1 317.454 3.962 20 30 DHEDMO C=CC[N@H+](CCc1ccnn1CC)Cc1ccc(Cl)s1 ZINC000549346497 341291932 /nfs/dbraw/zinc/29/19/32/341291932.db2.gz KQWFFLRVHATPFM-UHFFFAOYSA-N 1 1 309.866 3.849 20 30 DHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)[C@@H]1CC[C@H](C#N)C1 ZINC000549405482 341293471 /nfs/dbraw/zinc/29/34/71/341293471.db2.gz TVLYOYOGVRKPCU-DOTOQJQBSA-N 1 1 309.413 3.898 20 30 DHEDMO CC(C)c1ccc(C[C@H]2CC[N@@H+](CCOCCC#N)C2)cc1 ZINC000549556448 341297703 /nfs/dbraw/zinc/29/77/03/341297703.db2.gz YMPMJLJEJYPNIB-GOSISDBHSA-N 1 1 300.446 3.605 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245598594 341304496 /nfs/dbraw/zinc/30/44/96/341304496.db2.gz DMUXPBOGYLRIID-JXFKEZNVSA-N 1 1 306.409 3.563 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245598594 341304497 /nfs/dbraw/zinc/30/44/97/341304497.db2.gz DMUXPBOGYLRIID-JXFKEZNVSA-N 1 1 306.409 3.563 20 30 DHEDMO CCC[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000549929485 341307044 /nfs/dbraw/zinc/30/70/44/341307044.db2.gz COICWOYMCSAAHM-VAMGGRTRSA-N 1 1 311.473 3.665 20 30 DHEDMO CCC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000549929485 341307045 /nfs/dbraw/zinc/30/70/45/341307045.db2.gz COICWOYMCSAAHM-VAMGGRTRSA-N 1 1 311.473 3.665 20 30 DHEDMO CCC[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000549929485 341307046 /nfs/dbraw/zinc/30/70/46/341307046.db2.gz COICWOYMCSAAHM-VAMGGRTRSA-N 1 1 311.473 3.665 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)cc1 ZINC000550010375 341308669 /nfs/dbraw/zinc/30/86/69/341308669.db2.gz RUBWBVJHQLDDCE-SFHVURJKSA-N 1 1 312.800 3.865 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](CO)CC2)cc1 ZINC000550491504 341317768 /nfs/dbraw/zinc/31/77/68/341317768.db2.gz NMRULTNVFJSEGC-SFHVURJKSA-N 1 1 320.436 3.820 20 30 DHEDMO CC(C)[C@H]1[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1(C)C ZINC000552072105 341367583 /nfs/dbraw/zinc/36/75/83/341367583.db2.gz VOYUKTKSPMHDBW-LJQANCHMSA-N 1 1 322.456 3.825 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)cc1C#N ZINC000552274201 341382943 /nfs/dbraw/zinc/38/29/43/341382943.db2.gz GAYOHMYDLYLLQN-SFHVURJKSA-N 1 1 306.409 3.946 20 30 DHEDMO CC(C)OC(=O)C[C@@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249088377 341393506 /nfs/dbraw/zinc/39/35/06/341393506.db2.gz CKUWPKVLFSVQKV-WBVHZDCISA-N 1 1 314.429 3.673 20 30 DHEDMO C=CC[NH2+][C@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000089118387 341402380 /nfs/dbraw/zinc/40/23/80/341402380.db2.gz DWNMORPXLZBMDM-GOSISDBHSA-N 1 1 301.361 3.708 20 30 DHEDMO COc1cc(C[NH2+]CC2(C#N)CC2)ccc1OCc1ccccc1 ZINC000575431998 341798134 /nfs/dbraw/zinc/79/81/34/341798134.db2.gz NXHVROXIFQIGBE-UHFFFAOYSA-N 1 1 322.408 3.668 20 30 DHEDMO CC(C)[N@H+](Cc1nc(-c2ccoc2)no1)Cc1ccc(C#N)cc1 ZINC000105608633 519663886 /nfs/dbraw/zinc/66/38/86/519663886.db2.gz QHFGZQRUKSAZEX-UHFFFAOYSA-N 1 1 322.368 3.612 20 30 DHEDMO CC(C)[N@@H+](Cc1nc(-c2ccoc2)no1)Cc1ccc(C#N)cc1 ZINC000105608633 519663887 /nfs/dbraw/zinc/66/38/87/519663887.db2.gz QHFGZQRUKSAZEX-UHFFFAOYSA-N 1 1 322.368 3.612 20 30 DHEDMO CC(C)CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000158142345 519694158 /nfs/dbraw/zinc/69/41/58/519694158.db2.gz DYHWBBDGJWXWLZ-OAHLLOKOSA-N 1 1 319.474 3.849 20 30 DHEDMO CC(C)CC[C@H]1CCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000158142345 519694162 /nfs/dbraw/zinc/69/41/62/519694162.db2.gz DYHWBBDGJWXWLZ-OAHLLOKOSA-N 1 1 319.474 3.849 20 30 DHEDMO CCCC[N@@H+](C)CC1CCN(c2ncc(C#N)cc2Cl)CC1 ZINC000265140669 520399216 /nfs/dbraw/zinc/39/92/16/520399216.db2.gz QEQCSKDHMQQNSF-UHFFFAOYSA-N 1 1 320.868 3.555 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C)c1cccs1 ZINC000265872027 522042295 /nfs/dbraw/zinc/04/22/95/522042295.db2.gz VWVIVVCUENNEPU-CYBMUJFWSA-N 1 1 316.426 3.700 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(C)c1 ZINC000339320670 523744716 /nfs/dbraw/zinc/74/47/16/523744716.db2.gz YVBJIQNGTIOVDU-UHFFFAOYSA-N 1 1 324.424 3.524 20 30 DHEDMO C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CCN1C ZINC000180221285 524924369 /nfs/dbraw/zinc/92/43/69/524924369.db2.gz CRLWNFHPVLSASE-OXJNMPFZSA-N 1 1 319.452 3.798 20 30 DHEDMO C[C@H]1C[C@H](NCc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+]1C ZINC000180221285 524924379 /nfs/dbraw/zinc/92/43/79/524924379.db2.gz CRLWNFHPVLSASE-OXJNMPFZSA-N 1 1 319.452 3.798 20 30 DHEDMO C[C@H]1C[C@H](NCc2ccc(-c3ccccc3C#N)cc2)CC[N@H+]1C ZINC000180221285 524924394 /nfs/dbraw/zinc/92/43/94/524924394.db2.gz CRLWNFHPVLSASE-OXJNMPFZSA-N 1 1 319.452 3.798 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000265231599 526042419 /nfs/dbraw/zinc/04/24/19/526042419.db2.gz QSXRCVMMHATBPV-QRWLVFNGSA-N 1 1 306.409 3.865 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338326880 526074011 /nfs/dbraw/zinc/07/40/11/526074011.db2.gz BPUHNLYUUPKZDR-DYESRHJHSA-N 1 1 320.436 3.645 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000161440801 526640668 /nfs/dbraw/zinc/64/06/68/526640668.db2.gz PKAKLGHLRYWQPD-UHFFFAOYSA-N 1 1 300.299 3.862 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000161440801 526640675 /nfs/dbraw/zinc/64/06/75/526640675.db2.gz PKAKLGHLRYWQPD-UHFFFAOYSA-N 1 1 300.299 3.862 20 30 DHEDMO N#Cc1cnc2ccccc2c1N1CCC[N@H+](C2CCCC2)CC1 ZINC000266195153 526776579 /nfs/dbraw/zinc/77/65/79/526776579.db2.gz CISJSAFPDIBBPR-UHFFFAOYSA-N 1 1 320.440 3.561 20 30 DHEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000267608357 527118699 /nfs/dbraw/zinc/11/86/99/527118699.db2.gz WMTNOHLLZZEHQG-LJQANCHMSA-N 1 1 316.408 3.782 20 30 DHEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000267608357 527118702 /nfs/dbraw/zinc/11/87/02/527118702.db2.gz WMTNOHLLZZEHQG-LJQANCHMSA-N 1 1 316.408 3.782 20 30 DHEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000120793538 535818989 /nfs/dbraw/zinc/81/89/89/535818989.db2.gz VQSSWHFFKFVGFQ-UKRRQHHQSA-N 1 1 319.474 3.849 20 30 DHEDMO C#CCCC[N@@H+]1CC[C@H](OCc2ccc(Cl)cc2Cl)C1 ZINC001209265635 1013139292 /nfs/dbraw/zinc/13/92/92/1013139292.db2.gz BTDZTJFYEHIXKL-HNNXBMFYSA-N 1 1 312.240 3.998 20 30 DHEDMO C#CCCC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)OC)cc1 ZINC001209268169 1013144911 /nfs/dbraw/zinc/14/49/11/1013144911.db2.gz AVKABLFAARRCHU-UHFFFAOYSA-N 1 1 321.420 3.889 20 30 DHEDMO Cc1nsc(NC[C@H](c2ccccc2Cl)[NH+](C)C)c1C#N ZINC000339969330 1013180663 /nfs/dbraw/zinc/18/06/63/1013180663.db2.gz PSKLFRWQKYEYBZ-CQSZACIVSA-N 1 1 320.849 3.691 20 30 DHEDMO CCC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1 ZINC000054175298 1013201701 /nfs/dbraw/zinc/20/17/01/1013201701.db2.gz ORERQCYHUNQSTQ-UHFFFAOYSA-N 1 1 315.398 3.940 20 30 DHEDMO CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1 ZINC000054175298 1013201715 /nfs/dbraw/zinc/20/17/15/1013201715.db2.gz ORERQCYHUNQSTQ-UHFFFAOYSA-N 1 1 315.398 3.940 20 30 DHEDMO C=C(CC)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001167130898 1013259202 /nfs/dbraw/zinc/25/92/02/1013259202.db2.gz JJPLBQKEPDSLBE-HUUCEWRRSA-N 1 1 300.229 3.850 20 30 DHEDMO C=CCCCCCCC[NH+]1CCN(c2nccnc2Cl)CC1 ZINC001209438554 1013278794 /nfs/dbraw/zinc/27/87/94/1013278794.db2.gz NRFYNJPLDPKKMV-UHFFFAOYSA-N 1 1 322.884 3.779 20 30 DHEDMO C=CCCCCCCC[N@H+]1CC2CC1(C(=O)N1CCCC1)C2 ZINC001209442157 1013290220 /nfs/dbraw/zinc/29/02/20/1013290220.db2.gz UWDKNRJSSQMNKQ-UHFFFAOYSA-N 1 1 304.478 3.600 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(N2CCCCC2)cc1 ZINC000155246163 1013321372 /nfs/dbraw/zinc/32/13/72/1013321372.db2.gz WPPLCKZHCCJPRA-UHFFFAOYSA-N 1 1 309.413 3.774 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H](C)NC(=O)OC(C)(C)C ZINC001167273445 1013489063 /nfs/dbraw/zinc/48/90/63/1013489063.db2.gz GWCKXYCVDVEESC-MRXNPFEDSA-N 1 1 318.461 3.630 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1csc(C(=O)OC)c1 ZINC001167274136 1013491920 /nfs/dbraw/zinc/49/19/20/1013491920.db2.gz ZBFAGHUUBLFFOD-UHFFFAOYSA-N 1 1 315.438 3.765 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccncc1C#N)c1cccc(OC(F)(F)F)c1 ZINC000828173607 1013519324 /nfs/dbraw/zinc/51/93/24/1013519324.db2.gz CPSBYIBFJGATOY-LLVKDONJSA-N 1 1 321.302 3.703 20 30 DHEDMO C=CCCCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000366759268 1013522486 /nfs/dbraw/zinc/52/24/86/1013522486.db2.gz RWGSMRNENMOAMT-LJQANCHMSA-N 1 1 314.473 3.856 20 30 DHEDMO C[C@@H]1C[NH+](Cc2ccccc2N=Cc2ccccc2O)C[C@@H](C)O1 ZINC000255059894 1013596530 /nfs/dbraw/zinc/59/65/30/1013596530.db2.gz PCOKBDNQYZDBJK-HZPDHXFCSA-N 1 1 324.424 3.752 20 30 DHEDMO FC(F)CON=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000758898945 1013644569 /nfs/dbraw/zinc/64/45/69/1013644569.db2.gz AZBAKFLOSNOGOF-GJZGRUSLSA-N 1 1 308.372 3.556 20 30 DHEDMO CC1(C)C[N@H+](CC#Cc2cccc(Cl)c2)[C@@H]2CCC[C@H]2O1 ZINC000440948430 1013647074 /nfs/dbraw/zinc/64/70/74/1013647074.db2.gz AZQJSXPLYCLHJM-IAGOWNOFSA-N 1 1 303.833 3.723 20 30 DHEDMO CC1(C)C[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]2CCC[C@H]2O1 ZINC000440948430 1013647080 /nfs/dbraw/zinc/64/70/80/1013647080.db2.gz AZQJSXPLYCLHJM-IAGOWNOFSA-N 1 1 303.833 3.723 20 30 DHEDMO FC(F)CON=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000758898947 1013650646 /nfs/dbraw/zinc/65/06/46/1013650646.db2.gz AZBAKFLOSNOGOF-LSDHHAIUSA-N 1 1 308.372 3.556 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](CCC)[C@H]1CCc2ccccc21 ZINC000520172222 1013667237 /nfs/dbraw/zinc/66/72/37/1013667237.db2.gz YHJYBSQAKSSECU-IBGZPJMESA-N 1 1 314.473 3.811 20 30 DHEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000520174782 1013669593 /nfs/dbraw/zinc/66/95/93/1013669593.db2.gz ZVPMCQCBJJEDHN-HKUYNNGSSA-N 1 1 315.461 3.514 20 30 DHEDMO COc1ccccc1CC[N@@H+](C)CC#Cc1ccccc1Cl ZINC000441165399 1013682439 /nfs/dbraw/zinc/68/24/39/1013682439.db2.gz LRJGGSNIPXKSCI-UHFFFAOYSA-N 1 1 313.828 3.875 20 30 DHEDMO C=CCOc1cccc(CNCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000520229644 1013683288 /nfs/dbraw/zinc/68/32/88/1013683288.db2.gz AFRVHRAOJGDBPL-CALCHBBNSA-N 1 1 302.462 3.604 20 30 DHEDMO C=CCOc1cccc(C[NH2+]CCN2[C@H](C)CCC[C@@H]2C)c1 ZINC000520229644 1013683291 /nfs/dbraw/zinc/68/32/91/1013683291.db2.gz AFRVHRAOJGDBPL-CALCHBBNSA-N 1 1 302.462 3.604 20 30 DHEDMO CC[C@@H]1CCC[N@@H+](C(C)(C)CNCc2ccc(C#N)s2)C1 ZINC000176967579 1013691944 /nfs/dbraw/zinc/69/19/44/1013691944.db2.gz BHNLFVIFBNEMGI-CQSZACIVSA-N 1 1 305.491 3.610 20 30 DHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNCc2ccc(C#N)s2)C1 ZINC000176967579 1013691946 /nfs/dbraw/zinc/69/19/46/1013691946.db2.gz BHNLFVIFBNEMGI-CQSZACIVSA-N 1 1 305.491 3.610 20 30 DHEDMO Cc1ccnc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC000343509762 1013722364 /nfs/dbraw/zinc/72/23/64/1013722364.db2.gz LAJAUFFXKZDYHI-APWZRJJASA-N 1 1 320.440 3.584 20 30 DHEDMO C=CCCC[N@H+](C)Cc1ccc(I)cc1 ZINC000441387923 1013731448 /nfs/dbraw/zinc/73/14/48/1013731448.db2.gz WWPQMMFHCHVKCS-UHFFFAOYSA-N 1 1 315.198 3.689 20 30 DHEDMO COc1ccc(C[N@@H+](C)CCCOCc2ccccc2)cc1C#N ZINC000343669162 1013755307 /nfs/dbraw/zinc/75/53/07/1013755307.db2.gz CFIKVUPGFIISSU-UHFFFAOYSA-N 1 1 324.424 3.606 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1C[C@]1(C)Br ZINC000895018930 1013777971 /nfs/dbraw/zinc/77/79/71/1013777971.db2.gz VJZIAAKYJZTPSZ-DFBGVHRSSA-N 1 1 307.235 3.725 20 30 DHEDMO Cc1noc(C)c1[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000328657869 1013789070 /nfs/dbraw/zinc/78/90/70/1013789070.db2.gz PXBVQLIMTUOETR-WBMJQRKESA-N 1 1 319.449 3.758 20 30 DHEDMO CCn1ncc2ccc(NC(=O)CC[N@H+]3CCCC[C@H]3C)cc21 ZINC000328786281 1013799959 /nfs/dbraw/zinc/79/99/59/1013799959.db2.gz ONKRNHNATJJNTI-CQSZACIVSA-N 1 1 314.433 3.909 20 30 DHEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2 ZINC000328865454 1013802043 /nfs/dbraw/zinc/80/20/43/1013802043.db2.gz BSSNESSTTNTTLL-MLGOLLRUSA-N 1 1 315.417 3.723 20 30 DHEDMO CC(C)c1nnc([C@H]2CCCC[N@@H+]2CCCC(C)(C)C#N)[nH]1 ZINC000330847682 1013845102 /nfs/dbraw/zinc/84/51/02/1013845102.db2.gz LYIRARIBFCONAT-CQSZACIVSA-N 1 1 303.454 3.785 20 30 DHEDMO CC(C)c1nnc([C@H]2CCCC[N@H+]2CCCC(C)(C)C#N)[nH]1 ZINC000330847682 1013845110 /nfs/dbraw/zinc/84/51/10/1013845110.db2.gz LYIRARIBFCONAT-CQSZACIVSA-N 1 1 303.454 3.785 20 30 DHEDMO C[C@@H](CC[NH2+]CC(C)(C)CCC#N)N(C)Cc1ccccc1 ZINC000080206522 1013909539 /nfs/dbraw/zinc/90/95/39/1013909539.db2.gz FQCPGKCWGCCVQG-KRWDZBQOSA-N 1 1 301.478 3.817 20 30 DHEDMO CC(C)C[N@@H+](CCCSCC#N)CCc1ccc(F)cc1 ZINC000610409647 1014077189 /nfs/dbraw/zinc/07/71/89/1014077189.db2.gz GLTVOQSPHHAVPP-UHFFFAOYSA-N 1 1 308.466 3.973 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2OC)cc1C#N ZINC000135035623 1014078401 /nfs/dbraw/zinc/07/84/01/1014078401.db2.gz HMTHVICUNDSYAW-GOSISDBHSA-N 1 1 322.408 3.913 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(C#N)c1 ZINC000119057894 1014106889 /nfs/dbraw/zinc/10/68/89/1014106889.db2.gz GAXHAMBYCPVUQY-UHFFFAOYSA-N 1 1 307.372 3.980 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1F ZINC000361749207 1032083636 /nfs/dbraw/zinc/08/36/36/1032083636.db2.gz JLIPEYXYYIVQMN-FQEVSTJZSA-N 1 1 322.383 3.719 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)ccc1F ZINC000580640645 1014265332 /nfs/dbraw/zinc/26/53/32/1014265332.db2.gz FVUHVEHMTZKHMA-FQEVSTJZSA-N 1 1 322.383 3.667 20 30 DHEDMO CC(C)(C)OC(=O)N1CCCC[C@@]12CC[N@@H+](CCCCC#N)C2 ZINC000933041115 1014485907 /nfs/dbraw/zinc/48/59/07/1014485907.db2.gz BHONKCCDYDKCCK-SFHVURJKSA-N 1 1 321.465 3.546 20 30 DHEDMO Cc1ccsc1C[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000383590551 1014576880 /nfs/dbraw/zinc/57/68/80/1014576880.db2.gz RZUDXUYYEDTPKB-UHFFFAOYSA-N 1 1 300.427 3.829 20 30 DHEDMO CC(=O)C=C(C)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168011360 1014579386 /nfs/dbraw/zinc/57/93/86/1014579386.db2.gz ODKVMWFPMZVSAR-VFUBMYIOSA-N 1 1 300.446 3.510 20 30 DHEDMO CCOC(=O)C[N@@H+](Cc1ccccc1C(C)(C)C#N)CC(C)C ZINC000487412589 1014601770 /nfs/dbraw/zinc/60/17/70/1014601770.db2.gz RJDDMDYUHRHUKD-UHFFFAOYSA-N 1 1 316.445 3.509 20 30 DHEDMO CCOC(=O)C[N@H+](Cc1ccccc1C(C)(C)C#N)CC(C)C ZINC000487412589 1014601775 /nfs/dbraw/zinc/60/17/75/1014601775.db2.gz RJDDMDYUHRHUKD-UHFFFAOYSA-N 1 1 316.445 3.509 20 30 DHEDMO N#CCCC1CC[NH+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000581189086 1014609315 /nfs/dbraw/zinc/60/93/15/1014609315.db2.gz UPKXUVZXUCMXTG-UHFFFAOYSA-N 1 1 313.376 3.996 20 30 DHEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000487413614 1014611122 /nfs/dbraw/zinc/61/11/22/1014611122.db2.gz UXNVFKDEIRPUDW-SJLPKXTDSA-N 1 1 313.489 3.792 20 30 DHEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000487413614 1014611127 /nfs/dbraw/zinc/61/11/27/1014611127.db2.gz UXNVFKDEIRPUDW-SJLPKXTDSA-N 1 1 313.489 3.792 20 30 DHEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000487413614 1014611132 /nfs/dbraw/zinc/61/11/32/1014611132.db2.gz UXNVFKDEIRPUDW-SJLPKXTDSA-N 1 1 313.489 3.792 20 30 DHEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000487413614 1014611135 /nfs/dbraw/zinc/61/11/35/1014611135.db2.gz UXNVFKDEIRPUDW-SJLPKXTDSA-N 1 1 313.489 3.792 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](CCCCC1(C#N)CCC1)C2 ZINC000931332268 1032100972 /nfs/dbraw/zinc/10/09/72/1032100972.db2.gz BMDMOFFFFYKAIN-UHFFFAOYSA-N 1 1 307.441 3.975 20 30 DHEDMO CC[N@@H+](CCOc1cccc(C#N)c1)Cc1c[nH]c2ccccc12 ZINC000442882608 1014761020 /nfs/dbraw/zinc/76/10/20/1014761020.db2.gz FCWYZNDHOODQBJ-UHFFFAOYSA-N 1 1 319.408 3.940 20 30 DHEDMO CC[C@@H]1CCCCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001167457757 1014767370 /nfs/dbraw/zinc/76/73/70/1014767370.db2.gz JZDVGQSXULPJJT-OAHLLOKOSA-N 1 1 319.836 3.805 20 30 DHEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)CCc1cccs1 ZINC000091439655 1014792467 /nfs/dbraw/zinc/79/24/67/1014792467.db2.gz ZRIVFNKNTAXIDU-UHFFFAOYSA-N 1 1 300.427 3.563 20 30 DHEDMO COc1cc(C[N@@H+](C)CC2(c3ccccc3)CC2)ccc1C#N ZINC000443064305 1014798413 /nfs/dbraw/zinc/79/84/13/1014798413.db2.gz GCEBUMYXQBOSBO-UHFFFAOYSA-N 1 1 306.409 3.730 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(C(=O)OC)oc1C ZINC000522085791 1014889230 /nfs/dbraw/zinc/88/92/30/1014889230.db2.gz BZKIBFMVMLRNGR-UHFFFAOYSA-N 1 1 313.397 3.605 20 30 DHEDMO C=CC[N@H+]([C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C(C)(C)C ZINC001173191254 1033584933 /nfs/dbraw/zinc/58/49/33/1033584933.db2.gz BGECDSZVXZWXCT-GFCCVEGCSA-N 1 1 324.396 3.960 20 30 DHEDMO C=CCCCCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000474099053 1015009952 /nfs/dbraw/zinc/00/99/52/1015009952.db2.gz UHDFDTKVHAJWFF-MSOLQXFVSA-N 1 1 321.509 3.639 20 30 DHEDMO C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H](C)C1 ZINC000443642160 1015059891 /nfs/dbraw/zinc/05/98/91/1015059891.db2.gz NGVPQPCNFVANNW-QWHCGFSZSA-N 1 1 319.836 3.518 20 30 DHEDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000581636587 1015102685 /nfs/dbraw/zinc/10/26/85/1015102685.db2.gz GWUKKGZESSDUDH-GFCCVEGCSA-N 1 1 307.825 3.661 20 30 DHEDMO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)c1 ZINC000127223159 1015165460 /nfs/dbraw/zinc/16/54/60/1015165460.db2.gz ZKWNSYHAGCYYHT-LBPRGKRZSA-N 1 1 311.360 3.507 20 30 DHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CCCOc2cccc(C#N)c2)C1 ZINC000477278343 1015178389 /nfs/dbraw/zinc/17/83/89/1015178389.db2.gz GMOPZDOWTSISTA-FUHWJXTLSA-N 1 1 318.486 3.933 20 30 DHEDMO C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(SC)c(OC)c2)CC1 ZINC000106245338 1015181382 /nfs/dbraw/zinc/18/13/82/1015181382.db2.gz DLRRMFAIJGHYSL-UHFFFAOYSA-N 1 1 320.502 3.547 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2ccc(SC)c(OC)c2)CC1 ZINC000106245338 1015181386 /nfs/dbraw/zinc/18/13/86/1015181386.db2.gz DLRRMFAIJGHYSL-UHFFFAOYSA-N 1 1 320.502 3.547 20 30 DHEDMO N#Cc1cc(Br)ccc1C[NH+]1CC2CCC(CC2)C1 ZINC001141816661 1015197180 /nfs/dbraw/zinc/19/71/80/1015197180.db2.gz FXFWECQYQGHRMR-UHFFFAOYSA-N 1 1 319.246 3.943 20 30 DHEDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)CC1CCC(C#N)CC1 ZINC000929160798 1032112920 /nfs/dbraw/zinc/11/29/20/1032112920.db2.gz OVUXMKVZRDWBPJ-UHFFFAOYSA-N 1 1 316.445 3.856 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC000895563048 1015203359 /nfs/dbraw/zinc/20/33/59/1015203359.db2.gz SAIVWKFEEIUXDJ-CQSZACIVSA-N 1 1 312.438 3.664 20 30 DHEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000276505163 1015230610 /nfs/dbraw/zinc/23/06/10/1015230610.db2.gz WVKNIDCLCZCPQW-SNVBAGLBSA-N 1 1 301.217 3.828 20 30 DHEDMO CC[C@](C)([NH2+]Cc1cc(C#N)ccc1OC)c1nc(C)cs1 ZINC000126773719 1015248671 /nfs/dbraw/zinc/24/86/71/1015248671.db2.gz YWUOEZAETCYKJU-KRWDZBQOSA-N 1 1 315.442 3.747 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000895835499 1015327181 /nfs/dbraw/zinc/32/71/81/1015327181.db2.gz ICZHLLKUFWVYQH-UHFFFAOYSA-N 1 1 317.326 3.748 20 30 DHEDMO C[N@H+](Cc1csc(C#N)c1)Cc1ccccc1N1CCCC1 ZINC000891523624 1015350743 /nfs/dbraw/zinc/35/07/43/1015350743.db2.gz BOHSXODNDUQWLZ-UHFFFAOYSA-N 1 1 311.454 3.852 20 30 DHEDMO C[N@@H+](Cc1csc(C#N)c1)Cc1ccccc1N1CCCC1 ZINC000891523624 1015350750 /nfs/dbraw/zinc/35/07/50/1015350750.db2.gz BOHSXODNDUQWLZ-UHFFFAOYSA-N 1 1 311.454 3.852 20 30 DHEDMO CC(C)CC[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000135305009 1015443472 /nfs/dbraw/zinc/44/34/72/1015443472.db2.gz UPBWFTZHSFCZFM-HNNXBMFYSA-N 1 1 319.474 3.849 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](Cc1ccccc1)CC(C)C ZINC000519904870 1015579578 /nfs/dbraw/zinc/57/95/78/1015579578.db2.gz HWDGSFZWLNMFBX-UHFFFAOYSA-N 1 1 302.462 3.569 20 30 DHEDMO CCSCC[C@H](C)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000477762422 1015634854 /nfs/dbraw/zinc/63/48/54/1015634854.db2.gz VMLWFMZUULGDCW-HNNXBMFYSA-N 1 1 306.475 3.791 20 30 DHEDMO COc1nc2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)cc2s1 ZINC000329090603 1015638677 /nfs/dbraw/zinc/63/86/77/1015638677.db2.gz JCISVRVNVKWLAK-CYBMUJFWSA-N 1 1 317.414 3.520 20 30 DHEDMO Cc1c([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cnn1C ZINC000329147904 1015646823 /nfs/dbraw/zinc/64/68/23/1015646823.db2.gz BAVSPGDGEWGIND-GUYCJALGSA-N 1 1 318.465 3.543 20 30 DHEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000933773058 1015662644 /nfs/dbraw/zinc/66/26/44/1015662644.db2.gz AUTZWFPRJKZGKE-OAHLLOKOSA-N 1 1 324.808 3.578 20 30 DHEDMO C[C@H](c1cccc(NCC#Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000276802169 1015664542 /nfs/dbraw/zinc/66/45/42/1015664542.db2.gz KOYABWIPVDDRDN-GOSISDBHSA-N 1 1 320.436 3.543 20 30 DHEDMO Cc1[nH]nc(C(F)F)c1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000329385156 1015695329 /nfs/dbraw/zinc/69/53/29/1015695329.db2.gz PVWYKSJQLQQBMW-SNVBAGLBSA-N 1 1 300.353 3.508 20 30 DHEDMO N#Cc1ccc(Br)cc1C[N@@H+](CC1CC1)C1CC1 ZINC001141907679 1015713317 /nfs/dbraw/zinc/71/33/17/1015713317.db2.gz JEGZYFXHGYJUKK-UHFFFAOYSA-N 1 1 305.219 3.695 20 30 DHEDMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCC1(C)CCCCC1 ZINC000329507581 1015721658 /nfs/dbraw/zinc/72/16/58/1015721658.db2.gz AWLXTWQJMRUDDN-MRXNPFEDSA-N 1 1 318.465 3.540 20 30 DHEDMO CC(C)[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000341806906 1015742580 /nfs/dbraw/zinc/74/25/80/1015742580.db2.gz HNJLILBOFNMTKK-GFCCVEGCSA-N 1 1 307.825 3.517 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NCc2cc(C#N)n(C)c2)cc1 ZINC000276946572 1015767704 /nfs/dbraw/zinc/76/77/04/1015767704.db2.gz IGCYKMVNQRIDKQ-INIZCTEOSA-N 1 1 322.456 3.883 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CCO[C@@](C)(CC)C2)ccc1OC ZINC000443860756 1015777341 /nfs/dbraw/zinc/77/73/41/1015777341.db2.gz JGESERRRLVOZRU-IBGZPJMESA-N 1 1 319.445 3.651 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCO[C@@](C)(CC)C2)ccc1OC ZINC000443860756 1015777348 /nfs/dbraw/zinc/77/73/48/1015777348.db2.gz JGESERRRLVOZRU-IBGZPJMESA-N 1 1 319.445 3.651 20 30 DHEDMO COc1ccc(C[N@H+](C)Cc2ccccc2Cl)cc1C#N ZINC000087833209 1015777468 /nfs/dbraw/zinc/77/74/68/1015777468.db2.gz QOQRRQDHKVBZOP-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2Cl)cc1C#N ZINC000087833209 1015777470 /nfs/dbraw/zinc/77/74/70/1015777470.db2.gz QOQRRQDHKVBZOP-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N1c2ccc(C)cc2[C@H]2C[N@H+](C)CC[C@H]21 ZINC000280908258 1015807769 /nfs/dbraw/zinc/80/77/69/1015807769.db2.gz CHBMIJXONSLFMR-SZVBFZGTSA-N 1 1 312.457 3.732 20 30 DHEDMO CCSC[C@H](C)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001173308752 1033662854 /nfs/dbraw/zinc/66/28/54/1033662854.db2.gz ORSQJBPAQMYAKT-YOEHRIQHSA-N 1 1 304.459 3.543 20 30 DHEDMO C[N@@H+](CCc1ccccc1O)Cc1cccc(OCCCC#N)c1 ZINC000346378622 1015840428 /nfs/dbraw/zinc/84/04/28/1015840428.db2.gz CRCIDQJPAOZNLV-UHFFFAOYSA-N 1 1 324.424 3.749 20 30 DHEDMO C[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccnc(C#N)c1 ZINC000610991577 1015990860 /nfs/dbraw/zinc/99/08/60/1015990860.db2.gz KZKTXEHIHFOIDI-UHFFFAOYSA-N 1 1 306.196 3.892 20 30 DHEDMO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccnc(C#N)c1 ZINC000610991577 1015990869 /nfs/dbraw/zinc/99/08/69/1015990869.db2.gz KZKTXEHIHFOIDI-UHFFFAOYSA-N 1 1 306.196 3.892 20 30 DHEDMO C=CCC[C@H]([NH2+]Cc1ncnn1C)c1ccc(C(F)(F)F)cc1 ZINC000342190029 1016115669 /nfs/dbraw/zinc/11/56/69/1016115669.db2.gz GUMQODCYPTZYDC-AWEZNQCLSA-N 1 1 324.350 3.631 20 30 DHEDMO CCC[N@H+](Cc1cccc(C#N)c1)C[C@H]1COc2ccccc2O1 ZINC000071810615 1016143578 /nfs/dbraw/zinc/14/35/78/1016143578.db2.gz HQGFJUJROSUFDI-SFHVURJKSA-N 1 1 322.408 3.610 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)cs1 ZINC000892052913 1016161303 /nfs/dbraw/zinc/16/13/03/1016161303.db2.gz RJXRLTGSYKEAMT-MRXNPFEDSA-N 1 1 300.452 3.910 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)cs1 ZINC000892052913 1016161312 /nfs/dbraw/zinc/16/13/12/1016161312.db2.gz RJXRLTGSYKEAMT-MRXNPFEDSA-N 1 1 300.452 3.910 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051400806 1016321281 /nfs/dbraw/zinc/32/12/81/1016321281.db2.gz FBRYCQBGFXPJBR-UHFFFAOYSA-N 1 1 312.369 3.792 20 30 DHEDMO CCc1nn(C)c(CC)c1C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000119884621 1016410132 /nfs/dbraw/zinc/41/01/32/1016410132.db2.gz DFMZIQNVJXMNIF-HNNXBMFYSA-N 1 1 324.472 4.000 20 30 DHEDMO Cn1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C2CC2)n1 ZINC000892199589 1016413511 /nfs/dbraw/zinc/41/35/11/1016413511.db2.gz AMTFVUDCCGDAJY-MOPGFXCFSA-N 1 1 320.440 3.569 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C2CC2)n1 ZINC000892199589 1016413513 /nfs/dbraw/zinc/41/35/13/1016413513.db2.gz AMTFVUDCCGDAJY-MOPGFXCFSA-N 1 1 320.440 3.569 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1C)Cc1ccccc1 ZINC000027775463 1016592645 /nfs/dbraw/zinc/59/26/45/1016592645.db2.gz YCWDXCPNOLFFFL-UHFFFAOYSA-N 1 1 308.425 3.930 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1C)Cc1ccccc1 ZINC000027775463 1016592656 /nfs/dbraw/zinc/59/26/56/1016592656.db2.gz YCWDXCPNOLFFFL-UHFFFAOYSA-N 1 1 308.425 3.930 20 30 DHEDMO CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1CCCC#N ZINC000582340353 1016603197 /nfs/dbraw/zinc/60/31/97/1016603197.db2.gz YXHBRVZWEMBJBP-ZDUSSCGKSA-N 1 1 307.235 3.890 20 30 DHEDMO CC[C@H]1Cc2c(Br)cccc2C[N@H+]1CCCC#N ZINC000582340353 1016603201 /nfs/dbraw/zinc/60/32/01/1016603201.db2.gz YXHBRVZWEMBJBP-ZDUSSCGKSA-N 1 1 307.235 3.890 20 30 DHEDMO COc1nc(C)cc(C)c1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000346853085 1016607014 /nfs/dbraw/zinc/60/70/14/1016607014.db2.gz VJNGBVZWPAIOEO-UHFFFAOYSA-N 1 1 321.424 3.743 20 30 DHEDMO COc1nc(C)cc(C)c1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000346853085 1016607020 /nfs/dbraw/zinc/60/70/20/1016607020.db2.gz VJNGBVZWPAIOEO-UHFFFAOYSA-N 1 1 321.424 3.743 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)C1CCCC1 ZINC000072578066 1016614986 /nfs/dbraw/zinc/61/49/86/1016614986.db2.gz CSQIHZMABHELDP-UHFFFAOYSA-N 1 1 317.458 3.505 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC000158185868 1016673681 /nfs/dbraw/zinc/67/36/81/1016673681.db2.gz GRGZEZQUWJBVFR-GOSISDBHSA-N 1 1 322.408 3.913 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C)C2)cc1 ZINC000158261395 1016718410 /nfs/dbraw/zinc/71/84/10/1016718410.db2.gz BUBUESLLAFXUQC-HOTGVXAUSA-N 1 1 322.880 3.810 20 30 DHEDMO C=CC[C@H]1CC[N@H+]1Cc1csc(-c2ccccc2OC)n1 ZINC000934471525 1016767156 /nfs/dbraw/zinc/76/71/56/1016767156.db2.gz UINBLALSRWJZKF-AWEZNQCLSA-N 1 1 300.427 3.969 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1Cc1csc(-c2ccccc2OC)n1 ZINC000934471525 1016767166 /nfs/dbraw/zinc/76/71/66/1016767166.db2.gz UINBLALSRWJZKF-AWEZNQCLSA-N 1 1 300.427 3.969 20 30 DHEDMO C=CCCn1cc(C[NH2+][C@@H]2CCc3ccc(C(C)C)cc32)nn1 ZINC000657440517 1016810645 /nfs/dbraw/zinc/81/06/45/1016810645.db2.gz AOKXPQVYFVBBNN-LJQANCHMSA-N 1 1 310.445 3.755 20 30 DHEDMO C=CC[N@@H+](Cc1ccc2c(c1)ncn2C)Cc1ccccc1F ZINC000342610275 1016849128 /nfs/dbraw/zinc/84/91/28/1016849128.db2.gz BJNGPMWQPKKAMO-UHFFFAOYSA-N 1 1 309.388 3.901 20 30 DHEDMO C=CC[N@H+](Cc1ccc2c(c1)ncn2C)Cc1ccccc1F ZINC000342610275 1016849137 /nfs/dbraw/zinc/84/91/37/1016849137.db2.gz BJNGPMWQPKKAMO-UHFFFAOYSA-N 1 1 309.388 3.901 20 30 DHEDMO CC(C)[N@@H+](CCCO)Cc1ccc(C#Cc2ccccc2)s1 ZINC001141977919 1016897758 /nfs/dbraw/zinc/89/77/58/1016897758.db2.gz SRQHISPRPIOWMX-UHFFFAOYSA-N 1 1 313.466 3.741 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000339377514 1016903114 /nfs/dbraw/zinc/90/31/14/1016903114.db2.gz KEMSOLBWMRJMJG-OAHLLOKOSA-N 1 1 310.372 3.695 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)OCCO2 ZINC000339713842 1016952570 /nfs/dbraw/zinc/95/25/70/1016952570.db2.gz GYKLYVZSVBJMCR-UHFFFAOYSA-N 1 1 322.408 3.742 20 30 DHEDMO CC(C)(C)OC(=O)NCC[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000896985323 1016976639 /nfs/dbraw/zinc/97/66/39/1016976639.db2.gz SQVKBARDMZBLNI-HNNXBMFYSA-N 1 1 323.481 3.553 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000847021023 1032182222 /nfs/dbraw/zinc/18/22/22/1032182222.db2.gz HPMOBWOECZHWPG-GFCCVEGCSA-N 1 1 318.392 3.934 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000847021023 1032182227 /nfs/dbraw/zinc/18/22/27/1032182227.db2.gz HPMOBWOECZHWPG-GFCCVEGCSA-N 1 1 318.392 3.934 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)C1 ZINC001168065511 1017231118 /nfs/dbraw/zinc/23/11/18/1017231118.db2.gz XBRHIXMSESPCCW-JTJHWIPRSA-N 1 1 310.485 3.773 20 30 DHEDMO C#C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000847029798 1032184349 /nfs/dbraw/zinc/18/43/49/1032184349.db2.gz LOMSUJRYNQHEQM-INIZCTEOSA-N 1 1 306.409 3.514 20 30 DHEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCCC1CCCCC1 ZINC001275763947 1032185635 /nfs/dbraw/zinc/18/56/35/1032185635.db2.gz VCCPPUWHIDSTJR-HXUWFJFHSA-N 1 1 318.505 3.990 20 30 DHEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2ccc(=O)[nH]c2)cc1 ZINC001168308655 1032189856 /nfs/dbraw/zinc/18/98/56/1032189856.db2.gz RWVHMUSXNJXOQA-GOSISDBHSA-N 1 1 309.413 3.722 20 30 DHEDMO C=C(C)CN1CC[C@]2(CC[N@@H+](CCCC3CCCCC3)C2)C1=O ZINC001275764101 1032192720 /nfs/dbraw/zinc/19/27/20/1032192720.db2.gz ZXNSTTCKLVKYMF-FQEVSTJZSA-N 1 1 318.505 3.847 20 30 DHEDMO COCC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CC[C@H](C)C1 ZINC000362169394 1032257267 /nfs/dbraw/zinc/25/72/67/1032257267.db2.gz GXRWLBNYSXTJLQ-SUMWQHHRSA-N 1 1 306.837 3.849 20 30 DHEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001171299375 1032285263 /nfs/dbraw/zinc/28/52/63/1032285263.db2.gz XYNWPPQPUVZCCP-KSZLIROESA-N 1 1 300.446 3.738 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc(OCCOC)c1 ZINC000119929446 1032325195 /nfs/dbraw/zinc/32/51/95/1032325195.db2.gz OGNWNVIBNRWVQT-UHFFFAOYSA-N 1 1 317.454 3.962 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000119871369 1032327691 /nfs/dbraw/zinc/32/76/91/1032327691.db2.gz UZMPKKBRUFGURF-LBPRGKRZSA-N 1 1 312.360 3.513 20 30 DHEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000772986812 1032365684 /nfs/dbraw/zinc/36/56/84/1032365684.db2.gz DREQRXCVXDIMCF-GFCCVEGCSA-N 1 1 319.326 3.967 20 30 DHEDMO COC(=O)C[N@H+](Cc1ccc(Cl)cc1)CC(C)(C)CCC#N ZINC000092104673 1032477432 /nfs/dbraw/zinc/47/74/32/1032477432.db2.gz IQCFZIBYPHKZKF-UHFFFAOYSA-N 1 1 322.836 3.645 20 30 DHEDMO COC(=O)C[N@@H+](Cc1ccc(Cl)cc1)CC(C)(C)CCC#N ZINC000092104673 1032477473 /nfs/dbraw/zinc/47/74/73/1032477473.db2.gz IQCFZIBYPHKZKF-UHFFFAOYSA-N 1 1 322.836 3.645 20 30 DHEDMO C=CCOc1ccccc1[C@H](C)Nc1cc(NC(C)=O)cc[nH+]1 ZINC001171368453 1032522418 /nfs/dbraw/zinc/52/24/18/1032522418.db2.gz FVUHLFRJTQDLCM-ZDUSSCGKSA-N 1 1 311.385 3.778 20 30 DHEDMO C=C(C)COc1cc(C[N@H+](CCC#N)CC2CC2)ccc1OC ZINC000093091609 1032522945 /nfs/dbraw/zinc/52/29/45/1032522945.db2.gz STNNOQAXLRVHEV-UHFFFAOYSA-N 1 1 314.429 3.776 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](CCC#N)CC2CC2)ccc1OC ZINC000093091609 1032522949 /nfs/dbraw/zinc/52/29/49/1032522949.db2.gz STNNOQAXLRVHEV-UHFFFAOYSA-N 1 1 314.429 3.776 20 30 DHEDMO CC(C)C[C@H]1COCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000093340120 1032532874 /nfs/dbraw/zinc/53/28/74/1032532874.db2.gz UMHDOHHGPPPBHF-SFHVURJKSA-N 1 1 316.445 3.616 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000093690043 1032551488 /nfs/dbraw/zinc/55/14/88/1032551488.db2.gz RBAZJKWLBFXYHD-JLSDUUJJSA-N 1 1 316.470 3.837 20 30 DHEDMO CCN(C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1)CC(F)(F)F ZINC000093771267 1032556414 /nfs/dbraw/zinc/55/64/14/1032556414.db2.gz HVHLNMZEENQMFG-AWEZNQCLSA-N 1 1 319.415 3.522 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)cc1Cl ZINC000093819966 1032557965 /nfs/dbraw/zinc/55/79/65/1032557965.db2.gz GQTNUZBZYDOZBN-KRWDZBQOSA-N 1 1 307.821 3.517 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1Cl ZINC000093819967 1032559214 /nfs/dbraw/zinc/55/92/14/1032559214.db2.gz GQTNUZBZYDOZBN-QGZVFWFLSA-N 1 1 307.821 3.517 20 30 DHEDMO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000424319611 1011976795 /nfs/dbraw/zinc/97/67/95/1011976795.db2.gz FFXIGINLSKGHMU-IFLJBQAJSA-N 1 1 323.484 3.711 20 30 DHEDMO Cc1ccc(-c2nc(C[NH2+]Cc3ccc(C#N)cc3)co2)cc1 ZINC000072927160 1012036712 /nfs/dbraw/zinc/03/67/12/1012036712.db2.gz ZBENYOJRLGWXHP-UHFFFAOYSA-N 1 1 303.365 3.812 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000424661041 1012083144 /nfs/dbraw/zinc/08/31/44/1012083144.db2.gz DUIHRJWVEAIGKV-IRXDYDNUSA-N 1 1 306.494 3.702 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000424661037 1012084820 /nfs/dbraw/zinc/08/48/20/1012084820.db2.gz DUIHRJWVEAIGKV-DLBZAZTESA-N 1 1 306.494 3.702 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000424747511 1012116811 /nfs/dbraw/zinc/11/68/11/1012116811.db2.gz NABDZUPOILJUNL-CVEARBPZSA-N 1 1 320.864 3.804 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000424747511 1012116820 /nfs/dbraw/zinc/11/68/20/1012116820.db2.gz NABDZUPOILJUNL-CVEARBPZSA-N 1 1 320.864 3.804 20 30 DHEDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000514188388 1012288591 /nfs/dbraw/zinc/28/85/91/1012288591.db2.gz DOIOOTPDAOIXPL-FQEVSTJZSA-N 1 1 320.436 3.953 20 30 DHEDMO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000122869148 1032624576 /nfs/dbraw/zinc/62/45/76/1032624576.db2.gz ZIEDILZDYQOASV-CQSZACIVSA-N 1 1 308.381 3.538 20 30 DHEDMO CC[N@H+](CCOc1cc(Cl)cc(Cl)c1)C[C@@H](C)C#N ZINC000610212483 1012413520 /nfs/dbraw/zinc/41/35/20/1012413520.db2.gz CDOXRGJJQVNVJP-NSHDSACASA-N 1 1 301.217 3.854 20 30 DHEDMO CC[N@@H+](CCOc1cc(Cl)cc(Cl)c1)C[C@@H](C)C#N ZINC000610212483 1012413529 /nfs/dbraw/zinc/41/35/29/1012413529.db2.gz CDOXRGJJQVNVJP-NSHDSACASA-N 1 1 301.217 3.854 20 30 DHEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCCC1 ZINC000514745046 1012431612 /nfs/dbraw/zinc/43/16/12/1012431612.db2.gz NWJCTDZCPCCSQN-IBGZPJMESA-N 1 1 317.473 3.809 20 30 DHEDMO C#CC(=O)N1CCC2(CCC[N@H+](C[C@@H](CC)CCCC)C2)CC1 ZINC001269942671 1012472637 /nfs/dbraw/zinc/47/26/37/1012472637.db2.gz WJFLWKWGVOBOAX-SFHVURJKSA-N 1 1 318.505 3.541 20 30 DHEDMO Cc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000425363705 1012489065 /nfs/dbraw/zinc/48/90/65/1012489065.db2.gz CRXWPZZMUAUVQF-CQSZACIVSA-N 1 1 309.369 3.968 20 30 DHEDMO COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCC#N)CCC3)cc1 ZINC000515347332 1012603927 /nfs/dbraw/zinc/60/39/27/1012603927.db2.gz BZCKUPNCJQBYJM-AWEZNQCLSA-N 1 1 313.426 3.699 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(Cl)s1 ZINC000120490207 1012617685 /nfs/dbraw/zinc/61/76/85/1012617685.db2.gz JOKLPXZRZJSLMZ-UHFFFAOYSA-N 1 1 306.818 3.914 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000120490207 1012617698 /nfs/dbraw/zinc/61/76/98/1012617698.db2.gz JOKLPXZRZJSLMZ-UHFFFAOYSA-N 1 1 306.818 3.914 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000515510572 1012648145 /nfs/dbraw/zinc/64/81/45/1012648145.db2.gz SLVZWVYINGCBOX-IBGZPJMESA-N 1 1 324.399 3.783 20 30 DHEDMO CC(C)(CCC#N)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000154300989 1012649223 /nfs/dbraw/zinc/64/92/23/1012649223.db2.gz MHQZUGFWRLPCGA-UHFFFAOYSA-N 1 1 301.390 3.889 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@@H+](CCCc2ccc(C#N)cc2)C1 ZINC001208860285 1012704703 /nfs/dbraw/zinc/70/47/03/1012704703.db2.gz JQPKOEAVAHOIRH-IBGZPJMESA-N 1 1 320.436 3.989 20 30 DHEDMO COC(=O)c1ccccc1CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425530998 1012734855 /nfs/dbraw/zinc/73/48/55/1012734855.db2.gz GRBHZIHGWUUVAU-OAHLLOKOSA-N 1 1 322.408 3.580 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000517562351 1013009292 /nfs/dbraw/zinc/00/92/92/1013009292.db2.gz LZMVXIBBSVXEST-PKOBYXMFSA-N 1 1 312.457 3.879 20 30 DHEDMO CCC[N@@H+](CCO)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000177844317 1017143816 /nfs/dbraw/zinc/14/38/16/1017143816.db2.gz SUTYDMSOGVIXAX-UHFFFAOYSA-N 1 1 322.452 3.591 20 30 DHEDMO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000186328428 1017164210 /nfs/dbraw/zinc/16/42/10/1017164210.db2.gz FLSFXXGBGLKMJY-QFBILLFUSA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1cc(C#N)ccc1CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000186328428 1017164218 /nfs/dbraw/zinc/16/42/18/1017164218.db2.gz FLSFXXGBGLKMJY-QFBILLFUSA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1cc(C#N)ccc1CN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000186328428 1017164225 /nfs/dbraw/zinc/16/42/25/1017164225.db2.gz FLSFXXGBGLKMJY-QFBILLFUSA-N 1 1 311.473 3.609 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)c(F)c1 ZINC000609800563 1017189841 /nfs/dbraw/zinc/18/98/41/1017189841.db2.gz NTVLBJWRWYBGHZ-SFHVURJKSA-N 1 1 312.413 3.987 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCS[C@H](c3ccccc3)C2)c(F)c1 ZINC000609800563 1017189846 /nfs/dbraw/zinc/18/98/46/1017189846.db2.gz NTVLBJWRWYBGHZ-SFHVURJKSA-N 1 1 312.413 3.987 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248674583 1017225944 /nfs/dbraw/zinc/22/59/44/1017225944.db2.gz CHYNDAOBSISDMD-YWZLYKJASA-N 1 1 304.393 3.751 20 30 DHEDMO C[N@H+](CCCOCc1ccccc1)Cc1cc(F)ccc1C#N ZINC000384267743 1017262582 /nfs/dbraw/zinc/26/25/82/1017262582.db2.gz QCLFZLSSWWHJKE-UHFFFAOYSA-N 1 1 312.388 3.736 20 30 DHEDMO C[N@@H+](CCCOCc1ccccc1)Cc1cc(F)ccc1C#N ZINC000384267743 1017262589 /nfs/dbraw/zinc/26/25/89/1017262589.db2.gz QCLFZLSSWWHJKE-UHFFFAOYSA-N 1 1 312.388 3.736 20 30 DHEDMO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC1CCCCC1 ZINC000075589149 1017331110 /nfs/dbraw/zinc/33/11/10/1017331110.db2.gz SBEUHEJKVIVSRN-UHFFFAOYSA-N 1 1 310.401 3.620 20 30 DHEDMO CCC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077321803 1017456454 /nfs/dbraw/zinc/45/64/54/1017456454.db2.gz SSJFYFONXOEVQD-KSZLIROESA-N 1 1 316.420 3.723 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000444594236 1017581929 /nfs/dbraw/zinc/58/19/29/1017581929.db2.gz HJRJFDJTYNFTST-UHFFFAOYSA-N 1 1 322.456 3.950 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)CC(=O)Nc1cc(F)cc(F)c1 ZINC000444663382 1017618962 /nfs/dbraw/zinc/61/89/62/1017618962.db2.gz OMOBMQSVRPJQQU-UHFFFAOYSA-N 1 1 323.387 3.555 20 30 DHEDMO Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)cc1C ZINC000046529571 1017625795 /nfs/dbraw/zinc/62/57/95/1017625795.db2.gz XVZAUEATPXOJGM-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)cc1C ZINC000046529571 1017625799 /nfs/dbraw/zinc/62/57/99/1017625799.db2.gz XVZAUEATPXOJGM-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000342868701 1017640949 /nfs/dbraw/zinc/64/09/49/1017640949.db2.gz PKXDCXUPFDAIHT-ZDUSSCGKSA-N 1 1 324.827 3.500 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000342868701 1017640954 /nfs/dbraw/zinc/64/09/54/1017640954.db2.gz PKXDCXUPFDAIHT-ZDUSSCGKSA-N 1 1 324.827 3.500 20 30 DHEDMO C=CC[C@@H]1[N@H+](C[C@@H](O)COCc2cccs2)CCCC1(C)C ZINC000444782018 1017662440 /nfs/dbraw/zinc/66/24/40/1017662440.db2.gz IACKLRDILMVZEU-WBVHZDCISA-N 1 1 323.502 3.692 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2cc(-c3cnn(C)c3)no2)CCCC1(C)C ZINC000444773482 1017670947 /nfs/dbraw/zinc/67/09/47/1017670947.db2.gz DRIIEPDERBMITL-QGZVFWFLSA-N 1 1 314.433 3.642 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2ncn(-c3ccccc3)n2)CCCC1(C)C ZINC000444778263 1017676803 /nfs/dbraw/zinc/67/68/03/1017676803.db2.gz VOPMNUPXBZCXNV-KRWDZBQOSA-N 1 1 310.445 3.834 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2ncn(-c3ccccc3)n2)CCCC1(C)C ZINC000444778263 1017676807 /nfs/dbraw/zinc/67/68/07/1017676807.db2.gz VOPMNUPXBZCXNV-KRWDZBQOSA-N 1 1 310.445 3.834 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000523551678 1017727939 /nfs/dbraw/zinc/72/79/39/1017727939.db2.gz AMJSKXFRVNWJLZ-UHFFFAOYSA-N 1 1 300.446 3.792 20 30 DHEDMO C=CCCn1cc(C[N@@H+](Cc2ccc(C)cc2)C(C)(C)C)nn1 ZINC000625696445 1017769173 /nfs/dbraw/zinc/76/91/73/1017769173.db2.gz BEGUXZVBBRFTTN-UHFFFAOYSA-N 1 1 312.461 3.963 20 30 DHEDMO C=CCCn1cc(C[N@H+](Cc2ccc(C)cc2)C(C)(C)C)nn1 ZINC000625696445 1017769205 /nfs/dbraw/zinc/76/92/05/1017769205.db2.gz BEGUXZVBBRFTTN-UHFFFAOYSA-N 1 1 312.461 3.963 20 30 DHEDMO CCC(CC)[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000557215464 1017771807 /nfs/dbraw/zinc/77/18/07/1017771807.db2.gz OTRWVXNIQMIYCK-UHFFFAOYSA-N 1 1 319.836 3.803 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000625700556 1017775601 /nfs/dbraw/zinc/77/56/01/1017775601.db2.gz KGGQZGPVILGUBI-CYBMUJFWSA-N 1 1 317.820 3.831 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2nc(-c3ccc(OCC)cc3)no2)C1 ZINC000625702161 1017779706 /nfs/dbraw/zinc/77/97/06/1017779706.db2.gz DNJDLRARMRBQNC-AWEZNQCLSA-N 1 1 313.401 3.533 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000625701495 1017780853 /nfs/dbraw/zinc/78/08/53/1017780853.db2.gz SBHSCBKBLZPELX-LLVKDONJSA-N 1 1 313.228 3.830 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000625701495 1017780868 /nfs/dbraw/zinc/78/08/68/1017780868.db2.gz SBHSCBKBLZPELX-LLVKDONJSA-N 1 1 313.228 3.830 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000625704534 1017783255 /nfs/dbraw/zinc/78/32/55/1017783255.db2.gz VADMFTAJHAZOPG-GFCCVEGCSA-N 1 1 312.335 3.542 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NCc2ccccc2C#N)nc1 ZINC001167635575 1017815703 /nfs/dbraw/zinc/81/57/03/1017815703.db2.gz PYFBKXDKIUGSKM-INIZCTEOSA-N 1 1 320.440 3.940 20 30 DHEDMO C[N@H+]1CCCC[C@H]1c1ccc(NCc2ccccc2C#N)nc1 ZINC001167636226 1017827079 /nfs/dbraw/zinc/82/70/79/1017827079.db2.gz YAHQJBKVFBVQKV-SFHVURJKSA-N 1 1 306.413 3.722 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C)ccc1C ZINC000524043406 1017855660 /nfs/dbraw/zinc/85/56/60/1017855660.db2.gz MWAMRQVVSXBQMW-UHFFFAOYSA-N 1 1 308.425 3.824 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000091511197 1017897711 /nfs/dbraw/zinc/89/77/11/1017897711.db2.gz GUFIWDWDKILXJZ-INIZCTEOSA-N 1 1 318.436 3.718 20 30 DHEDMO Cc1cc(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc(C#N)n1 ZINC000343022793 1017999128 /nfs/dbraw/zinc/99/91/28/1017999128.db2.gz GTEXDBTYQVCRMX-FQEVSTJZSA-N 1 1 320.440 3.584 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000114469413 1018013801 /nfs/dbraw/zinc/01/38/01/1018013801.db2.gz NKHQGYFKAZPPOG-HXUWFJFHSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000114469413 1018013813 /nfs/dbraw/zinc/01/38/13/1018013813.db2.gz NKHQGYFKAZPPOG-HXUWFJFHSA-N 1 1 324.399 3.569 20 30 DHEDMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H]1CCOC1 ZINC000178768849 1018022313 /nfs/dbraw/zinc/02/23/13/1018022313.db2.gz RLVPDLHXUQCWOC-QGZVFWFLSA-N 1 1 306.409 3.694 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858016874 1032747307 /nfs/dbraw/zinc/74/73/07/1032747307.db2.gz QXKTVQQDUZHZTC-QGZVFWFLSA-N 1 1 313.445 3.742 20 30 DHEDMO CS[C@H]1CCCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000441133895 1018273907 /nfs/dbraw/zinc/27/39/07/1018273907.db2.gz OITWPDKWVAMRNI-KRWDZBQOSA-N 1 1 304.459 3.545 20 30 DHEDMO COCC[N@@H+](CC#Cc1ccc(F)cc1)[C@H](C)c1ccccc1 ZINC000446863642 1018277422 /nfs/dbraw/zinc/27/74/22/1018277422.db2.gz WKDHSMDMUDMPQX-QGZVFWFLSA-N 1 1 311.400 3.887 20 30 DHEDMO Cc1ccc(O[C@@H]2CC[N@@H+](CCC3(C#N)CCCCC3)C2)nc1 ZINC000858044292 1032753605 /nfs/dbraw/zinc/75/36/05/1032753605.db2.gz FECHQSMPBANXTQ-QGZVFWFLSA-N 1 1 313.445 3.707 20 30 DHEDMO C=CCOc1cccc(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)c1 ZINC000447056856 1018320710 /nfs/dbraw/zinc/32/07/10/1018320710.db2.gz AGRSIMICLZFRHR-UHFFFAOYSA-N 1 1 313.445 3.904 20 30 DHEDMO C=CCOc1cccc(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)c1 ZINC000447056856 1018320718 /nfs/dbraw/zinc/32/07/18/1018320718.db2.gz AGRSIMICLZFRHR-UHFFFAOYSA-N 1 1 313.445 3.904 20 30 DHEDMO CCC[N@@H+](CCc1ccc2c(c1)CCO2)Cc1ccc(C#N)cc1 ZINC000441187587 1018322290 /nfs/dbraw/zinc/32/22/90/1018322290.db2.gz GWGWERLSJSNAAP-UHFFFAOYSA-N 1 1 320.436 3.948 20 30 DHEDMO C#CC[N@@H+](CCCc1nc(-c2cccs2)no1)C1CCCC1 ZINC000155762421 1018336640 /nfs/dbraw/zinc/33/66/40/1018336640.db2.gz GSJYGTDKSWSSOP-UHFFFAOYSA-N 1 1 315.442 3.609 20 30 DHEDMO C#CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000766106423 1018367354 /nfs/dbraw/zinc/36/73/54/1018367354.db2.gz BNOCQTWQXMTICX-UHFFFAOYSA-N 1 1 320.364 3.510 20 30 DHEDMO C#CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000766106423 1018367362 /nfs/dbraw/zinc/36/73/62/1018367362.db2.gz BNOCQTWQXMTICX-UHFFFAOYSA-N 1 1 320.364 3.510 20 30 DHEDMO Cc1[nH+]ccn1CCSCc1ccc(C#N)cc1OC(F)F ZINC000348768911 1018506716 /nfs/dbraw/zinc/50/67/16/1018506716.db2.gz BVZIXZRMIYIIJY-UHFFFAOYSA-N 1 1 323.368 3.598 20 30 DHEDMO CC[N@@H+](Cc1ccccc1C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000343277686 1018537857 /nfs/dbraw/zinc/53/78/57/1018537857.db2.gz VGDNNFUUXGUNCH-MRXNPFEDSA-N 1 1 321.424 3.716 20 30 DHEDMO CC1CCC(O)(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000448122041 1018541946 /nfs/dbraw/zinc/54/19/46/1018541946.db2.gz KZZUENQQAJNLTM-CGIJZDBUSA-N 1 1 312.457 3.699 20 30 DHEDMO Cc1nc(CO[NH+]=C(N)C(C)C)oc1-c1ccc(Cl)cc1 ZINC000128431543 1018569516 /nfs/dbraw/zinc/56/95/16/1018569516.db2.gz XRAAKXKGANWKHY-UHFFFAOYSA-N 1 1 307.781 3.748 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC001171560973 1032781215 /nfs/dbraw/zinc/78/12/15/1032781215.db2.gz LQJQFLFVKSZACO-OAHLLOKOSA-N 1 1 311.816 3.986 20 30 DHEDMO C[C@H](NC(=O)c1conc1C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329441421 1018681417 /nfs/dbraw/zinc/68/14/17/1018681417.db2.gz AKPXUXPZEDLEFR-GXTWGEPZSA-N 1 1 317.433 3.510 20 30 DHEDMO C=CCC[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccco1 ZINC000278480888 1018731137 /nfs/dbraw/zinc/73/11/37/1018731137.db2.gz ANQNGYOMSKNQLC-GFCCVEGCSA-N 1 1 313.323 3.829 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000072553312 1018761015 /nfs/dbraw/zinc/76/10/15/1018761015.db2.gz ILKUCOFWIHOHEH-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000072553312 1018761024 /nfs/dbraw/zinc/76/10/24/1018761024.db2.gz ILKUCOFWIHOHEH-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO Clc1ccc(C[NH+]2CCC(=NO[C@@H]3CCCCO3)CC2)cc1 ZINC000755813981 1018764710 /nfs/dbraw/zinc/76/47/10/1018764710.db2.gz JXQOUBPHJQIKGX-QGZVFWFLSA-N 1 1 322.836 3.835 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC001171560973 1032781231 /nfs/dbraw/zinc/78/12/31/1032781231.db2.gz LQJQFLFVKSZACO-OAHLLOKOSA-N 1 1 311.816 3.986 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000583957665 1018776907 /nfs/dbraw/zinc/77/69/07/1018776907.db2.gz HWTPSUIVMZONLW-MGPUTAFESA-N 1 1 324.399 3.854 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000583957665 1018776918 /nfs/dbraw/zinc/77/69/18/1018776918.db2.gz HWTPSUIVMZONLW-MGPUTAFESA-N 1 1 324.399 3.854 20 30 DHEDMO COc1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@@H](CC#N)C3)CCO2)cc1 ZINC001168664052 1018779182 /nfs/dbraw/zinc/77/91/82/1018779182.db2.gz YVTSFNWGCGYNEI-WDYCEAGBSA-N 1 1 314.429 3.541 20 30 DHEDMO Clc1ccc(C#CC[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000583963449 1018780409 /nfs/dbraw/zinc/78/04/09/1018780409.db2.gz JWHHSEJVXAUZOT-ROUUACIJSA-N 1 1 315.844 3.725 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000583963449 1018780416 /nfs/dbraw/zinc/78/04/16/1018780416.db2.gz JWHHSEJVXAUZOT-ROUUACIJSA-N 1 1 315.844 3.725 20 30 DHEDMO C=C(C)C[N@H+](Cc1cnnn1-c1ccccc1)Cc1ccccc1 ZINC000676634756 1018790658 /nfs/dbraw/zinc/79/06/58/1018790658.db2.gz FRFRFLANXSPDHR-UHFFFAOYSA-N 1 1 318.424 3.846 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnnn1-c1ccccc1)Cc1ccccc1 ZINC000676634756 1018790671 /nfs/dbraw/zinc/79/06/71/1018790671.db2.gz FRFRFLANXSPDHR-UHFFFAOYSA-N 1 1 318.424 3.846 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000477270707 1032787095 /nfs/dbraw/zinc/78/70/95/1032787095.db2.gz HXTIDLKTSFRUGQ-ZWKOTPCHSA-N 1 1 316.470 3.687 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1cccs1 ZINC000060994385 1018839369 /nfs/dbraw/zinc/83/93/69/1018839369.db2.gz LCIUPKPGRQLWGA-UHFFFAOYSA-N 1 1 319.455 3.532 20 30 DHEDMO Cn1cc(C[N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)cn1 ZINC000073458080 1018858871 /nfs/dbraw/zinc/85/88/71/1018858871.db2.gz BKPFZXXLBQLPKO-UHFFFAOYSA-N 1 1 316.408 3.591 20 30 DHEDMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000073615713 1018871628 /nfs/dbraw/zinc/87/16/28/1018871628.db2.gz NJWJXOLXHCLEBB-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000073615713 1018871652 /nfs/dbraw/zinc/87/16/52/1018871652.db2.gz NJWJXOLXHCLEBB-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1cc(N=NC2CC[N@H+]3CCC[C@@H]23)nc2ccc(Cl)cc12 ZINC000765570659 1018943420 /nfs/dbraw/zinc/94/34/20/1018943420.db2.gz UZNOXZLQAQQWLO-INIZCTEOSA-N 1 1 314.820 3.833 20 30 DHEDMO C[N@@H+](CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171603357 1032800102 /nfs/dbraw/zinc/80/01/02/1032800102.db2.gz YVZZSXNBJPFDMG-HUUCEWRRSA-N 1 1 323.481 3.646 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccnn1-c1ccccc1 ZINC000619611169 1018990899 /nfs/dbraw/zinc/99/08/99/1018990899.db2.gz VGUQJQGKCKPPBU-AWEZNQCLSA-N 1 1 320.371 3.734 20 30 DHEDMO C[C@H](Nc1ncc2c(c1C#N)CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000584228100 1019035264 /nfs/dbraw/zinc/03/52/64/1019035264.db2.gz LTWWSTLJCLZSGL-GOEBONIOSA-N 1 1 324.472 3.507 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)c(F)c1 ZINC000075863980 1019063218 /nfs/dbraw/zinc/06/32/18/1019063218.db2.gz DHUIAOYETDLWOF-GOSISDBHSA-N 1 1 324.399 3.736 20 30 DHEDMO CN(Cc1ccccc1C#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109968 1019088707 /nfs/dbraw/zinc/08/87/07/1019088707.db2.gz VUZMPWZJCNYAGE-IBGZPJMESA-N 1 1 319.452 3.512 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248688087 1019201334 /nfs/dbraw/zinc/20/13/34/1019201334.db2.gz HXMAGGVZAKCJTF-YLJYHZDGSA-N 1 1 314.473 3.712 20 30 DHEDMO N#Cc1cc(Br)ccc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000311205634 1019238778 /nfs/dbraw/zinc/23/87/78/1019238778.db2.gz MNDOYJMVZGBDJO-VXGBXAGGSA-N 1 1 305.219 3.553 20 30 DHEDMO Cn1c2cc(F)ccc2[nH+]c1NCc1ccc(C(C)(C)C#N)cc1 ZINC000593943342 1019261028 /nfs/dbraw/zinc/26/10/28/1019261028.db2.gz AUDLRHVMWUKLNH-UHFFFAOYSA-N 1 1 322.387 4.126 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338590248 1019262554 /nfs/dbraw/zinc/26/25/54/1019262554.db2.gz CQODGCLHWCPVDT-UHFFFAOYSA-N 1 1 323.444 3.562 20 30 DHEDMO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1csc(C#N)c1)CCO2 ZINC000922013313 1019302781 /nfs/dbraw/zinc/30/27/81/1019302781.db2.gz VBFUIMSJMIDKDS-MRXNPFEDSA-N 1 1 314.410 3.632 20 30 DHEDMO C=CCC[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1ccco1 ZINC000926929319 1032825589 /nfs/dbraw/zinc/82/55/89/1032825589.db2.gz USPQPICQXAHNLV-LBPRGKRZSA-N 1 1 313.323 3.829 20 30 DHEDMO COC(=O)c1cccc(C[N@@H+](C2CC2)C2CCCCC2)c1C#N ZINC000611126719 1019399148 /nfs/dbraw/zinc/39/91/48/1019399148.db2.gz MCJXZPYSQGAOIP-UHFFFAOYSA-N 1 1 312.413 3.642 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000611235820 1019416113 /nfs/dbraw/zinc/41/61/13/1019416113.db2.gz RWFAIEDKNKCAIN-CYBMUJFWSA-N 1 1 310.372 3.825 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000611235820 1019416118 /nfs/dbraw/zinc/41/61/18/1019416118.db2.gz RWFAIEDKNKCAIN-CYBMUJFWSA-N 1 1 310.372 3.825 20 30 DHEDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1cc(C#N)cs1 ZINC000611285844 1019434747 /nfs/dbraw/zinc/43/47/47/1019434747.db2.gz BRCUIWXKCIXICK-MRXNPFEDSA-N 1 1 311.454 3.850 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCCC[C@@H]2C)c1C#N ZINC000611347249 1019454318 /nfs/dbraw/zinc/45/43/18/1019454318.db2.gz RSJHVZZIQGPOLZ-HNNXBMFYSA-N 1 1 308.429 3.817 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCCCC[C@@H]2C)c1C#N ZINC000611347249 1019454314 /nfs/dbraw/zinc/45/43/14/1019454314.db2.gz RSJHVZZIQGPOLZ-HNNXBMFYSA-N 1 1 308.429 3.817 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C(C)C)C2)c1C#N ZINC000611347555 1019455963 /nfs/dbraw/zinc/45/59/63/1019455963.db2.gz GFCBDKJSUPVLMR-MRXNPFEDSA-N 1 1 308.429 3.530 20 30 DHEDMO C[N@H+]1CCC[C@H](CNc2c(C#N)cnc3ccc(Cl)cc32)C1 ZINC000091482613 1019471886 /nfs/dbraw/zinc/47/18/86/1019471886.db2.gz BBCFORIVPSRFTD-GFCCVEGCSA-N 1 1 314.820 3.514 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccn(-c2ccccc2F)n1)c1cccc(C#N)c1 ZINC000611469138 1019494736 /nfs/dbraw/zinc/49/47/36/1019494736.db2.gz BUIYUFFLMVDSSH-CQSZACIVSA-N 1 1 320.371 3.734 20 30 DHEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000611554011 1019513300 /nfs/dbraw/zinc/51/33/00/1019513300.db2.gz BENBEOSDFDKCPT-ZWNOBZJWSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cccc(C#N)c1F ZINC000611554011 1019513305 /nfs/dbraw/zinc/51/33/05/1019513305.db2.gz BENBEOSDFDKCPT-ZWNOBZJWSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000611554788 1019514580 /nfs/dbraw/zinc/51/45/80/1019514580.db2.gz ZCBROHMSEDKZDQ-ZWNOBZJWSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000611554788 1019514593 /nfs/dbraw/zinc/51/45/93/1019514593.db2.gz ZCBROHMSEDKZDQ-ZWNOBZJWSA-N 1 1 300.299 3.860 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc2c[nH]nc21 ZINC000093872269 1019587324 /nfs/dbraw/zinc/58/73/24/1019587324.db2.gz SOXPRPDGZWLZNY-MOPGFXCFSA-N 1 1 316.408 3.835 20 30 DHEDMO COC1CCC([N@@H+](C)Cc2cccc(OCCCC#N)c2)CC1 ZINC000093414943 1019599783 /nfs/dbraw/zinc/59/97/83/1019599783.db2.gz DOQBTNWWUBERHJ-UHFFFAOYSA-N 1 1 316.445 3.759 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c1 ZINC000128223519 1019605716 /nfs/dbraw/zinc/60/57/16/1019605716.db2.gz JISKWVBGADIURD-MRXNPFEDSA-N 1 1 312.800 3.865 20 30 DHEDMO CCC[C@H](C)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000164820405 1019719363 /nfs/dbraw/zinc/71/93/63/1019719363.db2.gz HSLOCULVUFESSG-LBPRGKRZSA-N 1 1 319.474 3.557 20 30 DHEDMO CCCC[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000108355813 1019764910 /nfs/dbraw/zinc/76/49/10/1019764910.db2.gz QKSXKRICCCYVJJ-AWEZNQCLSA-N 1 1 319.474 3.609 20 30 DHEDMO CC(C)COC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccco1 ZINC000347616872 1019798157 /nfs/dbraw/zinc/79/81/57/1019798157.db2.gz NYXFMKYFTVRJGS-GOSISDBHSA-N 1 1 312.413 3.849 20 30 DHEDMO C[C@H]1C[C@H](N(C)Cc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC001171757041 1032857293 /nfs/dbraw/zinc/85/72/93/1032857293.db2.gz QTNZTVHXUWHWJG-UWJYYQICSA-N 1 1 319.452 3.653 20 30 DHEDMO C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC001171757041 1032857307 /nfs/dbraw/zinc/85/73/07/1032857307.db2.gz QTNZTVHXUWHWJG-UWJYYQICSA-N 1 1 319.452 3.653 20 30 DHEDMO C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)CN1Cc1ccccc1 ZINC001171757041 1032857323 /nfs/dbraw/zinc/85/73/23/1032857323.db2.gz QTNZTVHXUWHWJG-UWJYYQICSA-N 1 1 319.452 3.653 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116272594 1019858944 /nfs/dbraw/zinc/85/89/44/1019858944.db2.gz QKQVPRILOZLRPK-UHFFFAOYSA-N 1 1 315.760 3.752 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116272594 1019858966 /nfs/dbraw/zinc/85/89/66/1019858966.db2.gz QKQVPRILOZLRPK-UHFFFAOYSA-N 1 1 315.760 3.752 20 30 DHEDMO C[C@@H]1C[C@H](N(CC#N)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001171759399 1032860936 /nfs/dbraw/zinc/86/09/36/1032860936.db2.gz JHYKGVAYSSQLFS-NQIIRXRSSA-N 1 1 319.452 3.675 20 30 DHEDMO C[C@H](CC#N)[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000068608848 1019912927 /nfs/dbraw/zinc/91/29/27/1019912927.db2.gz GWZIWXSJMZJXNA-HUUCEWRRSA-N 1 1 307.397 3.892 20 30 DHEDMO N#Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1C(F)(F)F ZINC000317625907 1019998116 /nfs/dbraw/zinc/99/81/16/1019998116.db2.gz VQTHHTQWDFEXOW-UONOGXRCSA-N 1 1 309.335 3.616 20 30 DHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2OC)C1 ZINC000154153661 1020076976 /nfs/dbraw/zinc/07/69/76/1020076976.db2.gz SNBIYJSJHMAHIR-JKSUJKDBSA-N 1 1 304.459 3.673 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000731210418 1020080251 /nfs/dbraw/zinc/08/02/51/1020080251.db2.gz MCLNQCJPXLEZKN-IBGZPJMESA-N 1 1 306.409 3.796 20 30 DHEDMO CC(C)[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccc(C#N)cc1 ZINC000154387229 1020101105 /nfs/dbraw/zinc/10/11/05/1020101105.db2.gz ZZJDNBKUCANNRF-UHFFFAOYSA-N 1 1 310.445 3.920 20 30 DHEDMO Oc1ccccc1/C=N\C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000731489013 1020110822 /nfs/dbraw/zinc/11/08/22/1020110822.db2.gz ZBRYENJZVZFNDN-RXWSAZGZSA-N 1 1 300.446 3.856 20 30 DHEDMO N#Cc1ccc2ncc(C[N@@H+](CC3CC3)C3CCCCC3)n2c1 ZINC000092974157 1020127510 /nfs/dbraw/zinc/12/75/10/1020127510.db2.gz DTQQHEVZLJEECE-UHFFFAOYSA-N 1 1 308.429 3.751 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000093048900 1020132409 /nfs/dbraw/zinc/13/24/09/1020132409.db2.gz AVHIWJCNWXKUMV-HNNXBMFYSA-N 1 1 312.394 3.686 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000093048900 1020132416 /nfs/dbraw/zinc/13/24/16/1020132416.db2.gz AVHIWJCNWXKUMV-HNNXBMFYSA-N 1 1 312.394 3.686 20 30 DHEDMO CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000154975166 1020171810 /nfs/dbraw/zinc/17/18/10/1020171810.db2.gz USLJXPZWXZVQFD-DGCLKSJQSA-N 1 1 317.433 3.606 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)nc1 ZINC000858407041 1032881101 /nfs/dbraw/zinc/88/11/01/1032881101.db2.gz BVLFQFZLTHWJKB-INIZCTEOSA-N 1 1 301.752 3.523 20 30 DHEDMO N#CCOc1cccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309904785 1020179876 /nfs/dbraw/zinc/17/98/76/1020179876.db2.gz OONNUQLVGCCJGG-IBGZPJMESA-N 1 1 321.424 3.665 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]CC(=O)Nc1cccc(CC)c1 ZINC000732230853 1020214587 /nfs/dbraw/zinc/21/45/87/1020214587.db2.gz CJMLJTFADHPINV-UHFFFAOYSA-N 1 1 324.424 3.542 20 30 DHEDMO CCCCCCC[C@H](C)CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732449141 1020241198 /nfs/dbraw/zinc/24/11/98/1020241198.db2.gz JAYPHEQGHRGGMD-FUHWJXTLSA-N 1 1 323.525 3.861 20 30 DHEDMO Cc1ccc(C[NH2+]Cc2c(Cl)n(C)nc2C(C)C)cc1C#N ZINC000922759031 1020251629 /nfs/dbraw/zinc/25/16/29/1020251629.db2.gz JRKWFPULKOQELZ-UHFFFAOYSA-N 1 1 316.836 3.667 20 30 DHEDMO N#Cc1ccnc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2F)c1 ZINC001171791726 1032888756 /nfs/dbraw/zinc/88/87/56/1032888756.db2.gz OAANMIPUTACIIY-SFHVURJKSA-N 1 1 309.388 3.690 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)ccc1F ZINC000280956175 1020318598 /nfs/dbraw/zinc/31/85/98/1020318598.db2.gz JDTIQRMFRLMORZ-QRQLOZEOSA-N 1 1 316.420 3.603 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3c3cccc(F)c3)n2c1 ZINC000153504193 1020319397 /nfs/dbraw/zinc/31/93/97/1020319397.db2.gz ZDDCAYVAOJYNHX-GOSISDBHSA-N 1 1 320.371 3.682 20 30 DHEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H]3c3cccc(F)c3)n2c1 ZINC000153504193 1020319404 /nfs/dbraw/zinc/31/94/04/1020319404.db2.gz ZDDCAYVAOJYNHX-GOSISDBHSA-N 1 1 320.371 3.682 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000337098005 1032894169 /nfs/dbraw/zinc/89/41/69/1032894169.db2.gz SPNLEUUGDLGDDV-QGZVFWFLSA-N 1 1 300.446 3.755 20 30 DHEDMO COc1ccc([C@H]2CCCCC[N@H+]2CCOCCC#N)cc1 ZINC000338893244 1020355998 /nfs/dbraw/zinc/35/59/98/1020355998.db2.gz WWJWLTYJHJXKMC-GOSISDBHSA-N 1 1 302.418 3.543 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000667029382 1032894785 /nfs/dbraw/zinc/89/47/85/1032894785.db2.gz ZIAMSUZVOIUYMY-INIZCTEOSA-N 1 1 315.461 3.800 20 30 DHEDMO CC[N@H+](Cc1nnc(-c2ccco2)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340649 1020377587 /nfs/dbraw/zinc/37/75/87/1020377587.db2.gz FESPGLZHKLMTFM-CYBMUJFWSA-N 1 1 322.368 3.784 20 30 DHEDMO CC[N@@H+](Cc1nnc(-c2ccco2)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340649 1020377597 /nfs/dbraw/zinc/37/75/97/1020377597.db2.gz FESPGLZHKLMTFM-CYBMUJFWSA-N 1 1 322.368 3.784 20 30 DHEDMO Cc1ccc(C#N)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000161750677 1020416706 /nfs/dbraw/zinc/41/67/06/1020416706.db2.gz DRGDXJRNLMKUSS-VQIMIIECSA-N 1 1 320.440 3.727 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C)c(O)c(C)c1 ZINC000347653003 1020442954 /nfs/dbraw/zinc/44/29/54/1020442954.db2.gz QQCNCLKJUAVKEX-UHFFFAOYSA-N 1 1 324.424 3.529 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+](Cc2ccc3ccccc3c2)C2CC2)C1=O ZINC000337137580 1032903913 /nfs/dbraw/zinc/90/39/13/1032903913.db2.gz OGFHYSNVRAEBIJ-FQEVSTJZSA-N 1 1 320.436 3.591 20 30 DHEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1cccc(F)c1 ZINC000337136665 1032904921 /nfs/dbraw/zinc/90/49/21/1032904921.db2.gz ORRQBQAJRUYVHD-UHFFFAOYSA-N 1 1 304.409 3.748 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(-n2ccnc2)nc1 ZINC000177234952 1020534369 /nfs/dbraw/zinc/53/43/69/1020534369.db2.gz RHNIBIZILKOQHB-UHFFFAOYSA-N 1 1 310.426 3.517 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(-n2ccnc2)nc1 ZINC000177234952 1020534385 /nfs/dbraw/zinc/53/43/85/1020534385.db2.gz RHNIBIZILKOQHB-UHFFFAOYSA-N 1 1 310.426 3.517 20 30 DHEDMO C=CC[N@H+](CCCC(=O)OCC)Cc1ccc(Cl)s1 ZINC000302832793 1020552871 /nfs/dbraw/zinc/55/28/71/1020552871.db2.gz JNSKZJGBXUQKTR-UHFFFAOYSA-N 1 1 301.839 3.733 20 30 DHEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC001171882446 1032910560 /nfs/dbraw/zinc/91/05/60/1032910560.db2.gz STGKHGPIJRTSNZ-KXBFYZLASA-N 1 1 321.509 3.578 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+]([C@@H](C)c2ccc(Cl)cc2)C2CC2)C1=O ZINC000337166260 1032911101 /nfs/dbraw/zinc/91/11/01/1032911101.db2.gz ZHDKJCAOKIWEJW-GUYCJALGSA-N 1 1 318.848 3.652 20 30 DHEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168654287 1020572972 /nfs/dbraw/zinc/57/29/72/1020572972.db2.gz RSCPFQRRXQLNOK-MJGOQNOKSA-N 1 1 316.445 3.931 20 30 DHEDMO CCCC[N@@H+](CCC#N)[C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168654285 1020574281 /nfs/dbraw/zinc/57/42/81/1020574281.db2.gz RSCPFQRRXQLNOK-HKUYNNGSSA-N 1 1 316.445 3.931 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)CCCC1(C#N)CCOCC1 ZINC000337190088 1032916562 /nfs/dbraw/zinc/91/65/62/1032916562.db2.gz RODTUHKDUSBZQO-UHFFFAOYSA-N 1 1 305.466 3.739 20 30 DHEDMO CC[N@@H+](C[C@@](O)(CC)C(F)(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000929333565 1020599866 /nfs/dbraw/zinc/59/98/66/1020599866.db2.gz PGQLPQOZHUABNP-WFASDCNBSA-N 1 1 314.351 3.645 20 30 DHEDMO N#Cc1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000058324212 1020604941 /nfs/dbraw/zinc/60/49/41/1020604941.db2.gz GLYHLPRJKJFDAF-UHFFFAOYSA-N 1 1 311.816 3.534 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccccc1CC ZINC000065959819 1020605826 /nfs/dbraw/zinc/60/58/26/1020605826.db2.gz OFCYZBRBARATGR-UHFFFAOYSA-N 1 1 322.452 3.918 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccccc1CC ZINC000065959819 1020605834 /nfs/dbraw/zinc/60/58/34/1020605834.db2.gz OFCYZBRBARATGR-UHFFFAOYSA-N 1 1 322.452 3.918 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000303861673 1020609215 /nfs/dbraw/zinc/60/92/15/1020609215.db2.gz GPONKVFOGPIYJY-IBGZPJMESA-N 1 1 312.457 3.641 20 30 DHEDMO CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CC(C)(C)C#N ZINC000612585066 1020631705 /nfs/dbraw/zinc/63/17/05/1020631705.db2.gz NADPAIHIRWNAEW-UHFFFAOYSA-N 1 1 310.445 3.809 20 30 DHEDMO COc1cc(C[NH2+]CC(C)(C)C#N)ccc1OCc1ccccc1 ZINC000612588262 1020634227 /nfs/dbraw/zinc/63/42/27/1020634227.db2.gz WHFJWLJEQPZKHS-UHFFFAOYSA-N 1 1 324.424 3.914 20 30 DHEDMO COc1ccccc1C[N@@H+](CCC(C)(C)C#N)C[C@@H]1CCCO1 ZINC000131113888 1032918991 /nfs/dbraw/zinc/91/89/91/1032918991.db2.gz VLOISCGQCDFHOJ-KRWDZBQOSA-N 1 1 316.445 3.616 20 30 DHEDMO Cc1cc(C[N@@H+](C)CCCC2(C#N)CCOCC2)ccc1F ZINC000337212784 1032921145 /nfs/dbraw/zinc/92/11/45/1032921145.db2.gz VVFMZYXVLLCMJI-UHFFFAOYSA-N 1 1 304.409 3.667 20 30 DHEDMO COCc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000180029158 1020708689 /nfs/dbraw/zinc/70/86/89/1020708689.db2.gz WAXUSDMQISWBDZ-UHFFFAOYSA-N 1 1 306.409 3.869 20 30 DHEDMO CC1(C)C[C@H](NC2=CC(=O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001171961741 1032928708 /nfs/dbraw/zinc/92/87/08/1032928708.db2.gz AOIMVDAGEOBYME-GOSISDBHSA-N 1 1 312.457 3.656 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cn1cnc(-c2ccccc2)n1 ZINC000735484682 1020736712 /nfs/dbraw/zinc/73/67/12/1020736712.db2.gz YWCNMCCRSKAIBZ-UHFFFAOYSA-N 1 1 318.424 3.633 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cn1cnc(-c2ccccc2)n1 ZINC000735484682 1020736717 /nfs/dbraw/zinc/73/67/17/1020736717.db2.gz YWCNMCCRSKAIBZ-UHFFFAOYSA-N 1 1 318.424 3.633 20 30 DHEDMO C[C@H]1SCC[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]1C ZINC000735674824 1020763163 /nfs/dbraw/zinc/76/31/63/1020763163.db2.gz WDKIHDUXYRAMCJ-VXGBXAGGSA-N 1 1 310.850 3.568 20 30 DHEDMO C[C@H]1SCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]1C ZINC000735674824 1020763167 /nfs/dbraw/zinc/76/31/67/1020763167.db2.gz WDKIHDUXYRAMCJ-VXGBXAGGSA-N 1 1 310.850 3.568 20 30 DHEDMO COc1ccc(CNc2cccc(C)[nH+]2)cc1OCCCC#N ZINC000131203271 1032926095 /nfs/dbraw/zinc/92/60/95/1032926095.db2.gz YWTGAVFCAHEDAP-UHFFFAOYSA-N 1 1 311.385 3.693 20 30 DHEDMO CC1(C)C[C@@H](NC2=CC(=O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001171961750 1032930617 /nfs/dbraw/zinc/93/06/17/1032930617.db2.gz AOIMVDAGEOBYME-SFHVURJKSA-N 1 1 312.457 3.656 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(OC)cc3)o2)C1 ZINC000661378302 1020790989 /nfs/dbraw/zinc/79/09/89/1020790989.db2.gz CETQRENEMROLIM-AWEZNQCLSA-N 1 1 313.401 3.533 20 30 DHEDMO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN2CC2CCCCC2)C1 ZINC000613254661 1020874966 /nfs/dbraw/zinc/87/49/66/1020874966.db2.gz QACXFZYNWLIZJX-QRVBRYPASA-N 1 1 303.494 3.703 20 30 DHEDMO N#C[C@@H]1CCC[C@@H](NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000613254661 1020874977 /nfs/dbraw/zinc/87/49/77/1020874977.db2.gz QACXFZYNWLIZJX-QRVBRYPASA-N 1 1 303.494 3.703 20 30 DHEDMO N#C[C@@H]1CCC[C@@H](NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000613254661 1020874985 /nfs/dbraw/zinc/87/49/85/1020874985.db2.gz QACXFZYNWLIZJX-QRVBRYPASA-N 1 1 303.494 3.703 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000739914065 1020925039 /nfs/dbraw/zinc/92/50/39/1020925039.db2.gz DSOCXRQPQJPUNW-INIZCTEOSA-N 1 1 323.481 3.505 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCNc1nc(C(C)(C)C)ccc1C#N ZINC000613411456 1020940672 /nfs/dbraw/zinc/94/06/72/1020940672.db2.gz CHWUTCALVZLISN-CQSZACIVSA-N 1 1 300.450 3.537 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000613471084 1020979810 /nfs/dbraw/zinc/97/98/10/1020979810.db2.gz UMVAFWJDOABJGI-KRWDZBQOSA-N 1 1 318.848 3.678 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000613471084 1020979815 /nfs/dbraw/zinc/97/98/15/1020979815.db2.gz UMVAFWJDOABJGI-KRWDZBQOSA-N 1 1 318.848 3.678 20 30 DHEDMO COC(=O)C1(C)CCC([N@@H+](CCC#N)Cc2ccccc2)CC1 ZINC001168772641 1021044638 /nfs/dbraw/zinc/04/46/38/1021044638.db2.gz MWVPDSWSZVMIJA-UHFFFAOYSA-N 1 1 314.429 3.524 20 30 DHEDMO C#CC[N@H+](Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC000741800876 1021056782 /nfs/dbraw/zinc/05/67/82/1021056782.db2.gz DNPZQELHCPAOSK-LJQANCHMSA-N 1 1 307.393 3.654 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)[C@@H]1CCOc2ccc(OC)cc21 ZINC000741800876 1021056789 /nfs/dbraw/zinc/05/67/89/1021056789.db2.gz DNPZQELHCPAOSK-LJQANCHMSA-N 1 1 307.393 3.654 20 30 DHEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000742154410 1021096692 /nfs/dbraw/zinc/09/66/92/1021096692.db2.gz JESOPSOAORMBPK-JKSUJKDBSA-N 1 1 308.429 3.890 20 30 DHEDMO COc1ccc(C[NH2+][C@H](C)c2csc(C(C)C)n2)cc1C#N ZINC000742372026 1021113466 /nfs/dbraw/zinc/11/34/66/1021113466.db2.gz NBNWDWUGOZCHIV-GFCCVEGCSA-N 1 1 315.442 3.998 20 30 DHEDMO CC(C)(C)C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000452069352 1021128183 /nfs/dbraw/zinc/12/81/83/1021128183.db2.gz DTVGRMMMFTZVLV-HNNXBMFYSA-N 1 1 324.428 3.866 20 30 DHEDMO COc1ccc(C[NH+]2CCC(C)(C#N)CC2)c(C(F)(F)F)c1 ZINC001143478503 1021198354 /nfs/dbraw/zinc/19/83/54/1021198354.db2.gz HAZJZXISFQUEEM-UHFFFAOYSA-N 1 1 312.335 3.840 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)C(C)C ZINC000917168095 1021204990 /nfs/dbraw/zinc/20/49/90/1021204990.db2.gz MFCTVZIBWFSESW-HNNXBMFYSA-N 1 1 314.429 3.849 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)C(C)C ZINC000917168151 1021206021 /nfs/dbraw/zinc/20/60/21/1021206021.db2.gz PXKLDCUSTYMTSY-MRXNPFEDSA-N 1 1 308.491 3.848 20 30 DHEDMO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccn1 ZINC000090180613 1021215637 /nfs/dbraw/zinc/21/56/37/1021215637.db2.gz JJVSBRGACMTNIP-CYBMUJFWSA-N 1 1 304.315 3.803 20 30 DHEDMO C#CC[N@@H+](CC)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000743263260 1021253438 /nfs/dbraw/zinc/25/34/38/1021253438.db2.gz AHIKWTCTBWZXGB-UHFFFAOYSA-N 1 1 322.408 3.763 20 30 DHEDMO CCCC[N@@H+](CC)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000164563796 1021265999 /nfs/dbraw/zinc/26/59/99/1021265999.db2.gz PQQUHDXRBWPCDO-UHFFFAOYSA-N 1 1 319.474 3.559 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000264550969 1032964528 /nfs/dbraw/zinc/96/45/28/1032964528.db2.gz LHFWLBZDGCSJMW-UHFFFAOYSA-N 1 1 317.392 3.629 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000264550969 1032964543 /nfs/dbraw/zinc/96/45/43/1032964543.db2.gz LHFWLBZDGCSJMW-UHFFFAOYSA-N 1 1 317.392 3.629 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)cc1 ZINC000877812154 1033462872 /nfs/dbraw/zinc/46/28/72/1033462872.db2.gz IGZUYCPZCXUXKU-DOMZBBRYSA-N 1 1 312.335 3.752 20 30 DHEDMO CO[C@]1(C(F)(F)F)CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000618308061 1021352591 /nfs/dbraw/zinc/35/25/91/1021352591.db2.gz GWMAJMLLJCFVTO-CQSZACIVSA-N 1 1 306.372 3.750 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000282137728 1021373905 /nfs/dbraw/zinc/37/39/05/1021373905.db2.gz BTSAAXQHEXXSLA-KRWDZBQOSA-N 1 1 322.408 3.565 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C(=O)N(C)C)c1)CC1CCCCC1 ZINC000069860183 1021395237 /nfs/dbraw/zinc/39/52/37/1021395237.db2.gz INGCFZGEMNPYBX-UHFFFAOYSA-N 1 1 314.473 3.957 20 30 DHEDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000189741868 1021434057 /nfs/dbraw/zinc/43/40/57/1021434057.db2.gz ZHJNKDBPRZLZOZ-FQEVSTJZSA-N 1 1 308.425 3.721 20 30 DHEDMO Cc1cc(CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)ccc1C#N ZINC000618594601 1021439766 /nfs/dbraw/zinc/43/97/66/1021439766.db2.gz WEHNWXRAQNMPGM-OAQYLSRUSA-N 1 1 319.452 3.573 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)ccc1C#N ZINC000618594601 1021439771 /nfs/dbraw/zinc/43/97/71/1021439771.db2.gz WEHNWXRAQNMPGM-OAQYLSRUSA-N 1 1 319.452 3.573 20 30 DHEDMO Cc1cc(C[N@@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)ccc1C#N ZINC000618594601 1021439777 /nfs/dbraw/zinc/43/97/77/1021439777.db2.gz WEHNWXRAQNMPGM-OAQYLSRUSA-N 1 1 319.452 3.573 20 30 DHEDMO C[C@H]1CCC[C@H]([N@@H+](C)Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000744129357 1021440975 /nfs/dbraw/zinc/44/09/75/1021440975.db2.gz PGICWIAKXCVZCI-YJBOKZPZSA-N 1 1 308.429 3.890 20 30 DHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000744129355 1021441380 /nfs/dbraw/zinc/44/13/80/1021441380.db2.gz PGICWIAKXCVZCI-MAUKXSAKSA-N 1 1 308.429 3.890 20 30 DHEDMO Cc1cc(F)cc2c1C[N@@H+](CCCC1(C#N)CCOCC1)CC2 ZINC000337416626 1032981176 /nfs/dbraw/zinc/98/11/76/1032981176.db2.gz RQFYDMNRSCKTEA-UHFFFAOYSA-N 1 1 316.420 3.593 20 30 DHEDMO N#CC1(c2ccc(C[NH2+]Cc3noc4ccccc34)cc2)CC1 ZINC000850338355 1021478978 /nfs/dbraw/zinc/47/89/78/1021478978.db2.gz BMHHNYXZOVWMDP-UHFFFAOYSA-N 1 1 303.365 3.673 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000589820839 1021498119 /nfs/dbraw/zinc/49/81/19/1021498119.db2.gz BXTDLTLRWRBBJR-DZGCQCFKSA-N 1 1 302.422 3.804 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(C#N)cc1 ZINC000194616753 1021498160 /nfs/dbraw/zinc/49/81/60/1021498160.db2.gz CTXQPUQYBAXUHD-NSHDSACASA-N 1 1 315.760 3.971 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cn1ccc(-c2ccccc2)n1 ZINC000109314669 1021505742 /nfs/dbraw/zinc/50/57/42/1021505742.db2.gz HYLBRNLGXAGSLR-UHFFFAOYSA-N 1 1 302.381 3.511 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)Cn1ccc(-c2ccccc2)n1 ZINC000109314669 1021505751 /nfs/dbraw/zinc/50/57/51/1021505751.db2.gz HYLBRNLGXAGSLR-UHFFFAOYSA-N 1 1 302.381 3.511 20 30 DHEDMO Cc1cccc2c1C[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC2 ZINC000763505015 1021538962 /nfs/dbraw/zinc/53/89/62/1021538962.db2.gz LPWWQPRASMZPTH-MRXNPFEDSA-N 1 1 306.409 3.844 20 30 DHEDMO N#CCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172065649 1032987850 /nfs/dbraw/zinc/98/78/50/1032987850.db2.gz PTMJWCHESGVYMU-OWZKRDHZSA-N 1 1 311.473 3.856 20 30 DHEDMO CC(=O)C=C(C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172062990 1032988730 /nfs/dbraw/zinc/98/87/30/1032988730.db2.gz VFDBIFMLLRJPGF-RPUNJDBISA-N 1 1 312.457 3.655 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)CCc1ccccc1 ZINC000182278185 1021576659 /nfs/dbraw/zinc/57/66/59/1021576659.db2.gz RSAPCXWGLDVBOB-OAQYLSRUSA-N 1 1 322.452 3.762 20 30 DHEDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cn1 ZINC000618903866 1021576750 /nfs/dbraw/zinc/57/67/50/1021576750.db2.gz QSYFYUTUYJMLDB-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cn1 ZINC000618903866 1021576763 /nfs/dbraw/zinc/57/67/63/1021576763.db2.gz QSYFYUTUYJMLDB-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO COc1ccc(C[C@@H](C)C[N@H+]2CCC[C@@](C)(C#N)C2)cc1F ZINC000613620660 1021578639 /nfs/dbraw/zinc/57/86/39/1021578639.db2.gz HILOWRFUOAIGLH-KDOFPFPSSA-N 1 1 304.409 3.639 20 30 DHEDMO Cc1[nH+]c2cc(Nc3nc(C)c(C#N)cc3Cl)ccc2n1C ZINC000565514800 1021648797 /nfs/dbraw/zinc/64/87/97/1021648797.db2.gz XPECAAHQEYNWMK-UHFFFAOYSA-N 1 1 311.776 3.854 20 30 DHEDMO CCCCCCCCCC[N@@H+](C)C1C[C@@H]2COC[C@H](C1)N2C ZINC001172142645 1032999937 /nfs/dbraw/zinc/99/99/37/1032999937.db2.gz JRYFSIFSPKJWFX-YQQQUEKLSA-N 1 1 310.526 3.921 20 30 DHEDMO N#CCCOCC[N@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000339013917 1032999968 /nfs/dbraw/zinc/99/99/68/1032999968.db2.gz NLGKVIAZUHVEGM-UHFFFAOYSA-N 1 1 304.409 3.543 20 30 DHEDMO CC(C)[C@@H](CO)[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000128335040 1021746912 /nfs/dbraw/zinc/74/69/12/1021746912.db2.gz SNGRVKITOJBSHW-GOSISDBHSA-N 1 1 314.454 3.639 20 30 DHEDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000619620399 1021811208 /nfs/dbraw/zinc/81/12/08/1021811208.db2.gz GHFRCDHXDQZIOG-OAHLLOKOSA-N 1 1 316.420 3.845 20 30 DHEDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000619620398 1021812142 /nfs/dbraw/zinc/81/21/42/1021812142.db2.gz GHFRCDHXDQZIOG-HNNXBMFYSA-N 1 1 316.420 3.845 20 30 DHEDMO C=C(Br)C[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000919648807 1021836355 /nfs/dbraw/zinc/83/63/55/1021836355.db2.gz SZUPOKQZMRWQQQ-UHFFFAOYSA-N 1 1 311.267 3.872 20 30 DHEDMO C=C(Br)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000919648807 1021836371 /nfs/dbraw/zinc/83/63/71/1021836371.db2.gz SZUPOKQZMRWQQQ-UHFFFAOYSA-N 1 1 311.267 3.872 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)c(-c2ccnn2C)c1 ZINC000619845207 1021915863 /nfs/dbraw/zinc/91/58/63/1021915863.db2.gz AACTXGCDJVVDEH-LJQANCHMSA-N 1 1 308.429 3.521 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)c(-c2ccnn2C)c1 ZINC000619845207 1021915874 /nfs/dbraw/zinc/91/58/74/1021915874.db2.gz AACTXGCDJVVDEH-LJQANCHMSA-N 1 1 308.429 3.521 20 30 DHEDMO C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000195136211 1021917866 /nfs/dbraw/zinc/91/78/66/1021917866.db2.gz ZFPGAUMGNJBIBU-PXNSSMCTSA-N 1 1 319.452 3.731 20 30 DHEDMO C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000195136211 1021917878 /nfs/dbraw/zinc/91/78/78/1021917878.db2.gz ZFPGAUMGNJBIBU-PXNSSMCTSA-N 1 1 319.452 3.731 20 30 DHEDMO C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000195136211 1021917887 /nfs/dbraw/zinc/91/78/87/1021917887.db2.gz ZFPGAUMGNJBIBU-PXNSSMCTSA-N 1 1 319.452 3.731 20 30 DHEDMO C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000195136245 1021923763 /nfs/dbraw/zinc/92/37/63/1021923763.db2.gz ZFPGAUMGNJBIBU-YLJYHZDGSA-N 1 1 319.452 3.731 20 30 DHEDMO C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000195136245 1021923775 /nfs/dbraw/zinc/92/37/75/1021923775.db2.gz ZFPGAUMGNJBIBU-YLJYHZDGSA-N 1 1 319.452 3.731 20 30 DHEDMO C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000195136245 1021923788 /nfs/dbraw/zinc/92/37/88/1021923788.db2.gz ZFPGAUMGNJBIBU-YLJYHZDGSA-N 1 1 319.452 3.731 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000556950860 1021973863 /nfs/dbraw/zinc/97/38/63/1021973863.db2.gz WOUMLRUFHNPBLN-IBGZPJMESA-N 1 1 313.441 3.642 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000198385547 1021986636 /nfs/dbraw/zinc/98/66/36/1021986636.db2.gz CSYWUTXJQLACBM-HNNXBMFYSA-N 1 1 307.397 3.580 20 30 DHEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1nc(C(F)(F)F)ccc1C#N ZINC000341138768 1022013579 /nfs/dbraw/zinc/01/35/79/1022013579.db2.gz LSVVOHXTEJPWHH-LLVKDONJSA-N 1 1 314.355 3.504 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000155178509 1022031120 /nfs/dbraw/zinc/03/11/20/1022031120.db2.gz SJPXTJLXLZHHJY-MRXNPFEDSA-N 1 1 323.440 3.675 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000851944144 1022047143 /nfs/dbraw/zinc/04/71/43/1022047143.db2.gz JUDXERIZEYTGDT-INIZCTEOSA-N 1 1 312.363 3.868 20 30 DHEDMO CCC[N@@H+](CCC(C)(C)C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000776581291 1022098479 /nfs/dbraw/zinc/09/84/79/1022098479.db2.gz BJHPNIRMLZJLLU-HNNXBMFYSA-N 1 1 323.481 3.648 20 30 DHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000776581823 1022099596 /nfs/dbraw/zinc/09/95/96/1022099596.db2.gz MOZPBDAWXBLONK-HUUCEWRRSA-N 1 1 323.481 3.694 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C(C)(C)C1 ZINC000481068314 1022102597 /nfs/dbraw/zinc/10/25/97/1022102597.db2.gz CQOOJPAJOXHZON-NSHDSACASA-N 1 1 307.235 3.941 20 30 DHEDMO Cc1cccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@H](CC#N)C3)o2)c1 ZINC000852318844 1022104149 /nfs/dbraw/zinc/10/41/49/1022104149.db2.gz CMJZXTMLJHTVOE-LSDHHAIUSA-N 1 1 310.401 3.732 20 30 DHEDMO Cc1cccc(-c2nnc([C@H](C)[N@H+]3CCC[C@H](CC#N)C3)o2)c1 ZINC000852318844 1022104157 /nfs/dbraw/zinc/10/41/57/1022104157.db2.gz CMJZXTMLJHTVOE-LSDHHAIUSA-N 1 1 310.401 3.732 20 30 DHEDMO CN(C)C(=O)Sc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000852319426 1022104462 /nfs/dbraw/zinc/10/44/62/1022104462.db2.gz MHTOQVRJWIRPRF-CQSZACIVSA-N 1 1 317.458 3.586 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000852319785 1022105384 /nfs/dbraw/zinc/10/53/84/1022105384.db2.gz RPDSAVQVQWWZOE-XHDPSFHLSA-N 1 1 313.228 3.652 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000852319785 1022105385 /nfs/dbraw/zinc/10/53/85/1022105385.db2.gz RPDSAVQVQWWZOE-XHDPSFHLSA-N 1 1 313.228 3.652 20 30 DHEDMO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331287 1022106876 /nfs/dbraw/zinc/10/68/76/1022106876.db2.gz KOFQJFWNNKAKSR-RHSMWYFYSA-N 1 1 307.388 3.620 20 30 DHEDMO CC[C@H](CC(F)F)C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331287 1022106887 /nfs/dbraw/zinc/10/68/87/1022106887.db2.gz KOFQJFWNNKAKSR-RHSMWYFYSA-N 1 1 307.388 3.620 20 30 DHEDMO C[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)[C@@H]1CNC(=O)OC(C)(C)C ZINC000776588631 1022114570 /nfs/dbraw/zinc/11/45/70/1022114570.db2.gz ADONTEUAAPOTGB-HUUCEWRRSA-N 1 1 323.481 3.551 20 30 DHEDMO C[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)[C@H]1CNC(=O)OC(C)(C)C ZINC000776588620 1022115643 /nfs/dbraw/zinc/11/56/43/1022115643.db2.gz ADONTEUAAPOTGB-CABCVRRESA-N 1 1 323.481 3.551 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000620301937 1022123274 /nfs/dbraw/zinc/12/32/74/1022123274.db2.gz WWWFJEDDICXJRH-BBWFWOEESA-N 1 1 318.848 3.652 20 30 DHEDMO COc1cccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000076152532 1022125749 /nfs/dbraw/zinc/12/57/49/1022125749.db2.gz DVEXAGDBNIRTOM-PMACEKPBSA-N 1 1 306.409 3.967 20 30 DHEDMO COc1cccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000076152532 1022125755 /nfs/dbraw/zinc/12/57/55/1022125755.db2.gz DVEXAGDBNIRTOM-PMACEKPBSA-N 1 1 306.409 3.967 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc2ccccc2c1 ZINC000852685163 1022158113 /nfs/dbraw/zinc/15/81/13/1022158113.db2.gz DBQUUUNKRHHDQD-KDURUIRLSA-N 1 1 306.409 3.961 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000852687633 1022158221 /nfs/dbraw/zinc/15/82/21/1022158221.db2.gz LTUNDBXCXFPOHJ-ZACQAIPSSA-N 1 1 320.477 3.817 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000852686147 1022159917 /nfs/dbraw/zinc/15/99/17/1022159917.db2.gz OUKSCCMZHNIYLD-AOOOYVTPSA-N 1 1 319.758 3.775 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000852686147 1022159919 /nfs/dbraw/zinc/15/99/19/1022159919.db2.gz OUKSCCMZHNIYLD-AOOOYVTPSA-N 1 1 319.758 3.775 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000538328473 1033035718 /nfs/dbraw/zinc/03/57/18/1033035718.db2.gz YZWVKXUCGSPIQR-CZUORRHYSA-N 1 1 308.853 3.804 20 30 DHEDMO C=CCCC[N@@H+](C)Cc1ncc(Br)cc1Cl ZINC000659942543 1022225656 /nfs/dbraw/zinc/22/56/56/1022225656.db2.gz WQUZZYBAKDIUFL-UHFFFAOYSA-N 1 1 303.631 3.896 20 30 DHEDMO C=CCCC[N@H+](C)Cc1ncc(Br)cc1Cl ZINC000659942543 1022225664 /nfs/dbraw/zinc/22/56/64/1022225664.db2.gz WQUZZYBAKDIUFL-UHFFFAOYSA-N 1 1 303.631 3.896 20 30 DHEDMO CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001169072120 1022242304 /nfs/dbraw/zinc/24/23/04/1022242304.db2.gz YPFAJORLOFREPB-QZTJIDSGSA-N 1 1 315.482 3.918 20 30 DHEDMO Cc1ccc(C)c(N[NH+]=Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000853275742 1022248661 /nfs/dbraw/zinc/24/86/61/1022248661.db2.gz NNWAFTDLLFKVGX-UHFFFAOYSA-N 1 1 323.440 3.711 20 30 DHEDMO COC(=O)c1cccc(N[NH+]=C2CCCc3cc(N)ccc32)c1C ZINC000853397363 1022270072 /nfs/dbraw/zinc/27/00/72/1022270072.db2.gz CNQZHYAZDSSDQX-UHFFFAOYSA-N 1 1 323.396 3.516 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@@H](CC#N)C2)c1O ZINC000853526734 1022287372 /nfs/dbraw/zinc/28/73/72/1022287372.db2.gz XTGFZSIPTMFHRS-HNNXBMFYSA-N 1 1 314.429 3.645 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000853598735 1022295605 /nfs/dbraw/zinc/29/56/05/1022295605.db2.gz VMUMPJRUOPSCEQ-HDICACEKSA-N 1 1 324.384 3.599 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1c2c(sc1=O)C[C@@H](CC)CC2 ZINC000853597729 1022296536 /nfs/dbraw/zinc/29/65/36/1022296536.db2.gz DQACVFZBAHHZOL-SOUVJXGZSA-N 1 1 318.486 3.565 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1c2c(sc1=O)C[C@@H](CC)CC2 ZINC000853597729 1022296542 /nfs/dbraw/zinc/29/65/42/1022296542.db2.gz DQACVFZBAHHZOL-SOUVJXGZSA-N 1 1 318.486 3.565 20 30 DHEDMO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000609539097 1022297802 /nfs/dbraw/zinc/29/78/02/1022297802.db2.gz SCGOFJLPNKLBJQ-FQEVSTJZSA-N 1 1 307.441 3.506 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000609916241 1022382173 /nfs/dbraw/zinc/38/21/73/1022382173.db2.gz HSBYPJHGXZQLIF-CRAIPNDOSA-N 1 1 324.399 3.954 20 30 DHEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000609916243 1022382799 /nfs/dbraw/zinc/38/27/99/1022382799.db2.gz HSBYPJHGXZQLIF-MAUKXSAKSA-N 1 1 324.399 3.954 20 30 DHEDMO C[C@H](NCC(C)(C)[NH+]1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000776726435 1022447722 /nfs/dbraw/zinc/44/77/22/1022447722.db2.gz XTJAFIBRXYDDKH-AWEZNQCLSA-N 1 1 303.425 3.612 20 30 DHEDMO Cc1nccc([C@@H]2CCC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)n1 ZINC000615438245 1022475662 /nfs/dbraw/zinc/47/56/62/1022475662.db2.gz SGNSOITVESMUFP-RDTXWAMCSA-N 1 1 306.413 3.597 20 30 DHEDMO C#C[C@@](C)(CC)Nc1nc(C[NH+](C)C)nc2sc(C)c(C)c21 ZINC001169691836 1022503530 /nfs/dbraw/zinc/50/35/30/1022503530.db2.gz GRLRIPVNZLCHEH-KRWDZBQOSA-N 1 1 316.474 3.584 20 30 DHEDMO CCCCCCCCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000766845742 1022565613 /nfs/dbraw/zinc/56/56/13/1022565613.db2.gz KKVBDAOTYMWRKH-ROUUACIJSA-N 1 1 323.525 3.863 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000776797664 1022592656 /nfs/dbraw/zinc/59/26/56/1022592656.db2.gz KUUCCKQQXXQZNX-NHCUHLMSSA-N 1 1 320.436 3.955 20 30 DHEDMO C=CC[NH+](CC=C)Cc1cc(OC)ccc1OCc1ccccn1 ZINC000158122591 1022605161 /nfs/dbraw/zinc/60/51/61/1022605161.db2.gz BGMHKPLREFKGTG-UHFFFAOYSA-N 1 1 324.424 3.843 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000584695207 1022624623 /nfs/dbraw/zinc/62/46/23/1022624623.db2.gz SZYFPJGGTHWDJG-ZWKOTPCHSA-N 1 1 306.413 3.716 20 30 DHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cn2)C12CCCCC2 ZINC000584756939 1022709292 /nfs/dbraw/zinc/70/92/92/1022709292.db2.gz DVKYPZNFWCIXKS-MSOLQXFVSA-N 1 1 313.445 3.513 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001172304949 1033076576 /nfs/dbraw/zinc/07/65/76/1033076576.db2.gz BOVANBUEBDZZAE-OXJNMPFZSA-N 1 1 306.409 3.563 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001172307484 1033076822 /nfs/dbraw/zinc/07/68/22/1033076822.db2.gz ORABIMRBEDYGPZ-ZDUSSCGKSA-N 1 1 311.816 3.596 20 30 DHEDMO CCn1cc(C[N@@H+](Cc2cc(Cl)cc(C#N)c2)C(C)C)cn1 ZINC000930854891 1022754336 /nfs/dbraw/zinc/75/43/36/1022754336.db2.gz AGGFLWRTDZVUER-UHFFFAOYSA-N 1 1 316.836 3.839 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001172311570 1033078060 /nfs/dbraw/zinc/07/80/60/1033078060.db2.gz UZNIRKFLISONQW-ZDUSSCGKSA-N 1 1 311.816 3.596 20 30 DHEDMO COc1ccc([C@@H]2CC[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)cc1 ZINC001172310815 1033078217 /nfs/dbraw/zinc/07/82/17/1033078217.db2.gz JMPXQGISEMHTNR-OXJNMPFZSA-N 1 1 320.436 3.987 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000767731243 1022791308 /nfs/dbraw/zinc/79/13/08/1022791308.db2.gz RXPBNNRVLRRNDD-HNNXBMFYSA-N 1 1 307.224 3.841 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001172313468 1033082325 /nfs/dbraw/zinc/08/23/25/1033082325.db2.gz XGDMWKCLZOFMMH-OXQOHEQNSA-N 1 1 318.420 3.694 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001172312999 1033082477 /nfs/dbraw/zinc/08/24/77/1033082477.db2.gz NKZUMXUDOJPVCS-OXJNMPFZSA-N 1 1 312.457 3.770 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001172313466 1033082840 /nfs/dbraw/zinc/08/28/40/1033082840.db2.gz XGDMWKCLZOFMMH-JXFKEZNVSA-N 1 1 318.420 3.694 20 30 DHEDMO C=CC[N@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)C(C)C ZINC000767891123 1022829761 /nfs/dbraw/zinc/82/97/61/1022829761.db2.gz QHWIYKLOOSNKIM-UHFFFAOYSA-N 1 1 311.307 3.550 20 30 DHEDMO C=CC[N@@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)C(C)C ZINC000767891123 1022829778 /nfs/dbraw/zinc/82/97/78/1022829778.db2.gz QHWIYKLOOSNKIM-UHFFFAOYSA-N 1 1 311.307 3.550 20 30 DHEDMO CC#CCCCC(=O)O[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000768009384 1022859982 /nfs/dbraw/zinc/85/99/82/1022859982.db2.gz HUAJPVUNMMDDFI-IEBWSBKVSA-N 1 1 313.441 3.634 20 30 DHEDMO C#Cc1cccc(NC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)c1 ZINC000856810466 1022873781 /nfs/dbraw/zinc/87/37/81/1022873781.db2.gz YBHFKIPOKNJKPK-IBGZPJMESA-N 1 1 318.420 3.729 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1c[nH]nc1-c1ccccc1F ZINC000768153305 1022903546 /nfs/dbraw/zinc/90/35/46/1022903546.db2.gz CXAZHNKSMPZCGE-UHFFFAOYSA-N 1 1 300.381 3.587 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccccc1F ZINC000768153305 1022903554 /nfs/dbraw/zinc/90/35/54/1022903554.db2.gz CXAZHNKSMPZCGE-UHFFFAOYSA-N 1 1 300.381 3.587 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc3c(c2)COC3)C2CC2)cc1 ZINC000768258176 1022936445 /nfs/dbraw/zinc/93/64/45/1022936445.db2.gz SBLHNRJFWAUEIS-UHFFFAOYSA-N 1 1 304.393 3.753 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000768353931 1022950862 /nfs/dbraw/zinc/95/08/62/1022950862.db2.gz CMFFNZRQVKEKRT-BEFAXECRSA-N 1 1 307.397 3.710 20 30 DHEDMO C[C@H]1[C@@H](C)[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1C ZINC000418125161 1022964479 /nfs/dbraw/zinc/96/44/79/1022964479.db2.gz JBASWMABTOGHAI-BRWVUGGUSA-N 1 1 322.456 3.940 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(C)ccc2C(F)(F)F)no1 ZINC001212325122 1022999825 /nfs/dbraw/zinc/99/98/25/1022999825.db2.gz IZFGSNWQENIFEJ-ZDUSSCGKSA-N 1 1 323.318 3.867 20 30 DHEDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)on1 ZINC000768879952 1023047380 /nfs/dbraw/zinc/04/73/80/1023047380.db2.gz ZXXYTKSSBWMUTR-WMLDXEAASA-N 1 1 311.385 3.611 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000122870381 1023051276 /nfs/dbraw/zinc/05/12/76/1023051276.db2.gz GYAPEQTVNUYBNJ-INIZCTEOSA-N 1 1 316.408 3.937 20 30 DHEDMO CC[N@@H+](Cc1ccc(Cl)nn1)[C@H](C)c1ccc(C#N)cc1 ZINC000876598518 1033101821 /nfs/dbraw/zinc/10/18/21/1033101821.db2.gz NXCPVCANYJUOTC-GFCCVEGCSA-N 1 1 300.793 3.585 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCc2ccccc2F)cc1 ZINC000769030968 1023071130 /nfs/dbraw/zinc/07/11/30/1023071130.db2.gz ZGIQGDDBCCTVKA-HNNXBMFYSA-N 1 1 312.388 3.791 20 30 DHEDMO C=CC[N@@H+](Cc1ccc2c(c1)COC2)Cc1cccc(C#N)c1 ZINC000769105108 1023084116 /nfs/dbraw/zinc/08/41/16/1023084116.db2.gz LEZFFKSAUISYQM-UHFFFAOYSA-N 1 1 304.393 3.777 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1 ZINC000769103921 1023085780 /nfs/dbraw/zinc/08/57/80/1023085780.db2.gz DPBFEFVQEKVKHU-UWJYYQICSA-N 1 1 321.420 3.661 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1 ZINC000769103921 1023085790 /nfs/dbraw/zinc/08/57/90/1023085790.db2.gz DPBFEFVQEKVKHU-UWJYYQICSA-N 1 1 321.420 3.661 20 30 DHEDMO C=CC[N@@H+](Cc1cc(C)oc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000769189915 1023090499 /nfs/dbraw/zinc/09/04/99/1023090499.db2.gz XNSQQUJBKBHTRK-UHFFFAOYSA-N 1 1 300.358 3.993 20 30 DHEDMO C=CC[N@H+](Cc1cc(C)oc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000769189915 1023090512 /nfs/dbraw/zinc/09/05/12/1023090512.db2.gz XNSQQUJBKBHTRK-UHFFFAOYSA-N 1 1 300.358 3.993 20 30 DHEDMO CN(C)c1ccc(C[N@@H+](Cc2cccc(C#N)c2F)C2CC2)cc1 ZINC000769164175 1023094010 /nfs/dbraw/zinc/09/40/10/1023094010.db2.gz QSAGZXDNKVBOLR-UHFFFAOYSA-N 1 1 323.415 3.928 20 30 DHEDMO CC[N@@H+](CCOC)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141287967 1023135909 /nfs/dbraw/zinc/13/59/09/1023135909.db2.gz XPEHGIYOWDUUNJ-UHFFFAOYSA-N 1 1 310.397 3.819 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC3(CCCC3)C2)cc(OC)c1O ZINC000769402530 1023141509 /nfs/dbraw/zinc/14/15/09/1023141509.db2.gz IETWRQGIGAANDY-UHFFFAOYSA-N 1 1 301.430 3.895 20 30 DHEDMO C=CCCC[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000769462690 1023159993 /nfs/dbraw/zinc/15/99/93/1023159993.db2.gz KNCYBTIPDSQWEB-UHFFFAOYSA-N 1 1 313.195 3.755 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)COC2 ZINC000769549440 1023177313 /nfs/dbraw/zinc/17/73/13/1023177313.db2.gz RMSRHGZTUVPTOE-SFTDATJTSA-N 1 1 318.420 3.989 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000769549440 1023177317 /nfs/dbraw/zinc/17/73/17/1023177317.db2.gz RMSRHGZTUVPTOE-SFTDATJTSA-N 1 1 318.420 3.989 20 30 DHEDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000769549140 1023177577 /nfs/dbraw/zinc/17/75/77/1023177577.db2.gz OBHFZIBFNZPRCB-SJLPKXTDSA-N 1 1 322.408 3.673 20 30 DHEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2cccnc2Cl)CCCC1(C)C ZINC000769952916 1023245177 /nfs/dbraw/zinc/24/51/77/1023245177.db2.gz GWXZFQIFLOTTMB-CQSZACIVSA-N 1 1 321.852 3.740 20 30 DHEDMO C=CC[C@H]1[N@H+](CC(=O)Nc2cccnc2Cl)CCCC1(C)C ZINC000769952916 1023245185 /nfs/dbraw/zinc/24/51/85/1023245185.db2.gz GWXZFQIFLOTTMB-CQSZACIVSA-N 1 1 321.852 3.740 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000769978083 1023254200 /nfs/dbraw/zinc/25/42/00/1023254200.db2.gz PALXZSOXLHLJTD-CQSZACIVSA-N 1 1 320.392 3.957 20 30 DHEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000769978083 1023254209 /nfs/dbraw/zinc/25/42/09/1023254209.db2.gz PALXZSOXLHLJTD-CQSZACIVSA-N 1 1 320.392 3.957 20 30 DHEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC001167765701 1023268741 /nfs/dbraw/zinc/26/87/41/1023268741.db2.gz HDFLJDDZPCXFLV-ZWKOTPCHSA-N 1 1 300.446 3.892 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](OC)C1CCC1 ZINC000660540523 1023314521 /nfs/dbraw/zinc/31/45/21/1023314521.db2.gz RTIFVNVOXJETCA-SFHVURJKSA-N 1 1 305.466 3.657 20 30 DHEDMO Cc1ccc2c(C[N@@H+](C)Cc3cccc(C#N)c3)cc(=O)oc2c1 ZINC000026324414 1023330820 /nfs/dbraw/zinc/33/08/20/1023330820.db2.gz TVOHFPRKNSVNCA-UHFFFAOYSA-N 1 1 318.376 3.605 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000538626856 1033124551 /nfs/dbraw/zinc/12/45/51/1033124551.db2.gz BSJINRYJNUISFG-SFHVURJKSA-N 1 1 303.833 3.583 20 30 DHEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000772326630 1023548059 /nfs/dbraw/zinc/54/80/59/1023548059.db2.gz XXAWACNIJGFNML-GJZGRUSLSA-N 1 1 323.481 3.646 20 30 DHEDMO C#CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CCc2ccccc21 ZINC000772597523 1023577043 /nfs/dbraw/zinc/57/70/43/1023577043.db2.gz GRKIHOPWEUOCGW-LJQANCHMSA-N 1 1 321.420 3.827 20 30 DHEDMO C#CC[N@@H+](Cc1cnn(C(C)(C)C)c1)[C@H]1CCc2ccccc21 ZINC000772599973 1023577462 /nfs/dbraw/zinc/57/74/62/1023577462.db2.gz PVDCGNNFEJVOPK-IBGZPJMESA-N 1 1 307.441 3.761 20 30 DHEDMO C#CC[N@H+](Cc1cnn(C(C)(C)C)c1)[C@H]1CCc2ccccc21 ZINC000772599973 1023577466 /nfs/dbraw/zinc/57/74/66/1023577466.db2.gz PVDCGNNFEJVOPK-IBGZPJMESA-N 1 1 307.441 3.761 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000661379809 1023584793 /nfs/dbraw/zinc/58/47/93/1023584793.db2.gz IPCMNTLPKPAQSJ-ZBFHGGJFSA-N 1 1 314.429 3.504 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000661379809 1023584798 /nfs/dbraw/zinc/58/47/98/1023584798.db2.gz IPCMNTLPKPAQSJ-ZBFHGGJFSA-N 1 1 314.429 3.504 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000876808405 1033148192 /nfs/dbraw/zinc/14/81/92/1033148192.db2.gz QYWOZBZJGJSOJY-IXDOHACOSA-N 1 1 304.434 3.888 20 30 DHEDMO CC(C)C(N)=[NH+]OCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000133676480 1033150122 /nfs/dbraw/zinc/15/01/22/1033150122.db2.gz UHOUEOCETNJQFD-UHFFFAOYSA-N 1 1 319.449 3.817 20 30 DHEDMO C=CCCC[C@@H](C(=O)N1CC[N@H+](CC)[C@H](C)C1)c1ccccc1 ZINC001137569135 1023658615 /nfs/dbraw/zinc/65/86/15/1023658615.db2.gz RRHYMPIGPFGTHG-IEBWSBKVSA-N 1 1 314.473 3.679 20 30 DHEDMO Cc1scc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1C ZINC000876817094 1033151213 /nfs/dbraw/zinc/15/12/13/1033151213.db2.gz XMDHIWVWQIQAKH-SFHVURJKSA-N 1 1 312.438 3.810 20 30 DHEDMO Cc1scc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1C ZINC000876817094 1033151220 /nfs/dbraw/zinc/15/12/20/1033151220.db2.gz XMDHIWVWQIQAKH-SFHVURJKSA-N 1 1 312.438 3.810 20 30 DHEDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000786127313 1023665722 /nfs/dbraw/zinc/66/57/22/1023665722.db2.gz ZJJOLUXOWLWQGY-HBGVWJBISA-N 1 1 320.436 3.778 20 30 DHEDMO C=CCOCc1ncn2c1C[N@@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)CCC2 ZINC001172370924 1033152191 /nfs/dbraw/zinc/15/21/91/1033152191.db2.gz COQNCLFQFDBTEN-IXDOHACOSA-N 1 1 317.477 3.616 20 30 DHEDMO C=CC[N@H+](Cc1cnc(N2CCCC2)nc1)CC1CCCCC1 ZINC000538731094 1033153618 /nfs/dbraw/zinc/15/36/18/1033153618.db2.gz XZRZGIZYQOHEDE-UHFFFAOYSA-N 1 1 314.477 3.645 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066899562 1023705861 /nfs/dbraw/zinc/70/58/61/1023705861.db2.gz VCPXKYYESOFCHQ-GOSISDBHSA-N 1 1 320.392 3.667 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066899562 1023705874 /nfs/dbraw/zinc/70/58/74/1023705874.db2.gz VCPXKYYESOFCHQ-GOSISDBHSA-N 1 1 320.392 3.667 20 30 DHEDMO C=CC[N@@H+](CC(=O)c1cc(C)n(CCCOC)c1C)C(C)(C)C ZINC000661755609 1023732923 /nfs/dbraw/zinc/73/29/23/1023732923.db2.gz VSUUTDUBQSZHDB-UHFFFAOYSA-N 1 1 320.477 3.611 20 30 DHEDMO C=CC[N@H+](CC(=O)c1cc(C)n(CCCOC)c1C)C(C)(C)C ZINC000661755609 1023732928 /nfs/dbraw/zinc/73/29/28/1023732928.db2.gz VSUUTDUBQSZHDB-UHFFFAOYSA-N 1 1 320.477 3.611 20 30 DHEDMO C=C(Br)C[N@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000746652475 1023765676 /nfs/dbraw/zinc/76/56/76/1023765676.db2.gz OAUJEOZOHZWSPJ-HNNXBMFYSA-N 1 1 310.235 3.913 20 30 DHEDMO C=C(Br)C[N@@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000746652475 1023765669 /nfs/dbraw/zinc/76/56/69/1023765669.db2.gz OAUJEOZOHZWSPJ-HNNXBMFYSA-N 1 1 310.235 3.913 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)c1ccc(F)cc1C ZINC000746663589 1023777316 /nfs/dbraw/zinc/77/73/16/1023777316.db2.gz RXUBHYUTAAQWLU-HXUWFJFHSA-N 1 1 324.399 3.727 20 30 DHEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000661854583 1023780021 /nfs/dbraw/zinc/78/00/21/1023780021.db2.gz DEOCJDFXWSZHEB-KGLIPLIRSA-N 1 1 311.347 3.556 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000787309653 1023785787 /nfs/dbraw/zinc/78/57/87/1023785787.db2.gz KZBBYDVAGBLBBC-HNNXBMFYSA-N 1 1 317.433 3.969 20 30 DHEDMO C=CCC1([NH2+]Cc2noc(Cc3ccccc3C)n2)CCCC1 ZINC000661867782 1023787549 /nfs/dbraw/zinc/78/75/49/1023787549.db2.gz ZBGPVFOCMSVYPT-UHFFFAOYSA-N 1 1 311.429 3.947 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000661874104 1023792080 /nfs/dbraw/zinc/79/20/80/1023792080.db2.gz IFZFMIGZQXEBPN-MJGOQNOKSA-N 1 1 317.860 3.973 20 30 DHEDMO N#Cc1cccc(N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000709621307 1023831213 /nfs/dbraw/zinc/83/12/13/1023831213.db2.gz WWPMWNPFZWFVRF-IBGZPJMESA-N 1 1 320.440 3.810 20 30 DHEDMO CC(=[NH+]OC[C@@H]1CCOC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000788033555 1023841004 /nfs/dbraw/zinc/84/10/04/1023841004.db2.gz IZNSHPPDFVPICU-OAHLLOKOSA-N 1 1 320.408 3.593 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000662084643 1023890953 /nfs/dbraw/zinc/89/09/53/1023890953.db2.gz UIAQLESRFBCBTF-OIISXLGYSA-N 1 1 309.413 3.904 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000662085370 1023892431 /nfs/dbraw/zinc/89/24/31/1023892431.db2.gz FVDHIHNBHVNCRU-FPMFFAJLSA-N 1 1 322.811 3.989 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000662085370 1023892438 /nfs/dbraw/zinc/89/24/38/1023892438.db2.gz FVDHIHNBHVNCRU-FPMFFAJLSA-N 1 1 322.811 3.989 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000662082640 1023894984 /nfs/dbraw/zinc/89/49/84/1023894984.db2.gz WQZHICBSESLNTO-RRQGHBQHSA-N 1 1 318.848 3.700 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccn(-c2c(F)cccc2F)n1 ZINC000662087660 1023895466 /nfs/dbraw/zinc/89/54/66/1023895466.db2.gz HIEGRSKQUWPLEQ-GASCZTMLSA-N 1 1 315.367 3.834 20 30 DHEDMO COc1ccc(C[NH2+]Cc2cc(F)c(Cl)cc2F)cc1C#N ZINC000788532840 1023907154 /nfs/dbraw/zinc/90/71/54/1023907154.db2.gz VBDIEWJUFPWBCP-UHFFFAOYSA-N 1 1 322.742 3.788 20 30 DHEDMO C=CCSCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788732709 1023932154 /nfs/dbraw/zinc/93/21/54/1023932154.db2.gz FEYAEIUYVAUDBT-JTQLQIEISA-N 1 1 305.365 3.981 20 30 DHEDMO CC(C)(C)c1cc[nH+]c(N2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000882140613 1023974340 /nfs/dbraw/zinc/97/43/40/1023974340.db2.gz RPEGQPXQEOZDIC-GOSISDBHSA-N 1 1 321.424 3.829 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000268584857 1024130727 /nfs/dbraw/zinc/13/07/27/1024130727.db2.gz DILOANXBAFNPOY-RBUKOAKNSA-N 1 1 310.372 3.568 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268682611 1024140780 /nfs/dbraw/zinc/14/07/80/1024140780.db2.gz OQJFOKNDGBQCLK-MGPUTAFESA-N 1 1 306.409 3.817 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)[C@@H]2CC[C@](C)(c3ccccc3)C2)n1 ZINC000789759220 1024157884 /nfs/dbraw/zinc/15/78/84/1024157884.db2.gz QGXQQLSNNZWPNU-RTWAWAEBSA-N 1 1 321.468 3.849 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CCSC(C)(C)CC2)cc1 ZINC000789764565 1024162179 /nfs/dbraw/zinc/16/21/79/1024162179.db2.gz ZCMSFIQDEYUMHG-UHFFFAOYSA-N 1 1 303.471 3.806 20 30 DHEDMO CC(C)C[C@H]([NH2+][C@@H](C)CCCC#N)C(=O)OCc1ccccc1 ZINC001172476057 1033190455 /nfs/dbraw/zinc/19/04/55/1033190455.db2.gz FVUQYSQVMXZVKL-WMZOPIPTSA-N 1 1 316.445 3.816 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H]2[C@H](C)CCC)c1=S ZINC000130759030 1024213612 /nfs/dbraw/zinc/21/36/12/1024213612.db2.gz HLBIOGAFEWHGIC-HIFRSBDPSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H]2[C@H](C)CCC)c1=S ZINC000130759030 1024213624 /nfs/dbraw/zinc/21/36/24/1024213624.db2.gz HLBIOGAFEWHGIC-HIFRSBDPSA-N 1 1 308.495 3.767 20 30 DHEDMO Cc1cccnc1N=NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000790193049 1024243364 /nfs/dbraw/zinc/24/33/64/1024243364.db2.gz PTEYZCTYJOGCAO-UHFFFAOYSA-N 1 1 310.445 3.946 20 30 DHEDMO COC(=O)CCC[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000269103092 1024243670 /nfs/dbraw/zinc/24/36/70/1024243670.db2.gz TWQQBZRVNANDGA-UHFFFAOYSA-N 1 1 316.445 3.772 20 30 DHEDMO N#Cc1ccc(C(F)(F)F)c(N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000269159651 1024247175 /nfs/dbraw/zinc/24/71/75/1024247175.db2.gz OAZIECVGPIZVHC-UHFFFAOYSA-N 1 1 320.318 3.684 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000269688230 1024305597 /nfs/dbraw/zinc/30/55/97/1024305597.db2.gz VRLVMWVIPSNAJI-VQTJNVASSA-N 1 1 324.399 3.785 20 30 DHEDMO C=CCC[C@H](COc1ccccc1)[NH2+][C@@H](C)c1csnn1 ZINC000883229154 1024305540 /nfs/dbraw/zinc/30/55/40/1024305540.db2.gz BWXKATKKNFMCGW-UONOGXRCSA-N 1 1 303.431 3.603 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2cnccc2C#N)cc1 ZINC000094136214 1024316949 /nfs/dbraw/zinc/31/69/49/1024316949.db2.gz LXIHVXKEOYNWON-INIZCTEOSA-N 1 1 320.440 3.940 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccccc1C#N ZINC000270050168 1024345327 /nfs/dbraw/zinc/34/53/27/1024345327.db2.gz DXQLQELHTWVWJS-UWJYYQICSA-N 1 1 319.452 3.558 20 30 DHEDMO CC(C)([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc(F)cc1 ZINC000877007179 1033205198 /nfs/dbraw/zinc/20/51/98/1033205198.db2.gz GCCHTJQHAKBWEC-UHFFFAOYSA-N 1 1 303.768 3.771 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1(c2ncccn2)CCC1 ZINC000883312217 1024363239 /nfs/dbraw/zinc/36/32/39/1024363239.db2.gz XEMKODPSPUZPEC-GOSISDBHSA-N 1 1 318.424 3.785 20 30 DHEDMO N#CCC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453210397 1024403552 /nfs/dbraw/zinc/40/35/52/1024403552.db2.gz JLUTZBVWNCRFRX-AQNXPRMDSA-N 1 1 323.484 3.713 20 30 DHEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001253233383 1024445453 /nfs/dbraw/zinc/44/54/53/1024445453.db2.gz DBMPMOAHGVMTFX-CABCVRRESA-N 1 1 307.400 3.943 20 30 DHEDMO C=CCNC(=O)C[N@@H+](Cc1cccc2ccccc21)C1CCCC1 ZINC000303202286 1024445837 /nfs/dbraw/zinc/44/58/37/1024445837.db2.gz ONZQELJWHNQASZ-UHFFFAOYSA-N 1 1 322.452 3.887 20 30 DHEDMO CC[N@@H+](Cc1cnc(N(C)C)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000271083168 1024454835 /nfs/dbraw/zinc/45/48/35/1024454835.db2.gz JSBUFZWZLACGBZ-ZDUSSCGKSA-N 1 1 314.458 3.664 20 30 DHEDMO CC(C)OCC[C@@H](C)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001172460589 1033215900 /nfs/dbraw/zinc/21/59/00/1033215900.db2.gz PQEIDWKGHUGKCH-APWZRJJASA-N 1 1 316.445 3.605 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000075943881 1024519812 /nfs/dbraw/zinc/51/98/12/1024519812.db2.gz AFSYJTHBGPZIQZ-OAQYLSRUSA-N 1 1 319.452 3.875 20 30 DHEDMO Cc1ccc([C@H]2CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)c(C)c1 ZINC000791606116 1024533610 /nfs/dbraw/zinc/53/36/10/1024533610.db2.gz QNRJAHJLYJJHAX-PZJWPPBQSA-N 1 1 320.436 3.698 20 30 DHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000532124529 1024560036 /nfs/dbraw/zinc/56/00/36/1024560036.db2.gz RBSMOGXWFGQZTO-QGZVFWFLSA-N 1 1 314.429 3.502 20 30 DHEDMO CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000585719864 1024574024 /nfs/dbraw/zinc/57/40/24/1024574024.db2.gz WZYJACMKVGXBCG-YOEHRIQHSA-N 1 1 305.853 3.568 20 30 DHEDMO C=CC[N@@H+](CCCCCn1cccn1)Cc1cccc(C#N)c1 ZINC000104679272 1024576400 /nfs/dbraw/zinc/57/64/00/1024576400.db2.gz HNHAKILRWBMMQQ-UHFFFAOYSA-N 1 1 308.429 3.613 20 30 DHEDMO CC[C@H](C(=O)Nc1ccc(CC#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000339229236 1024581388 /nfs/dbraw/zinc/58/13/88/1024581388.db2.gz FNDZIKUUXWIFLA-LJQANCHMSA-N 1 1 321.424 3.602 20 30 DHEDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000532268184 1024591873 /nfs/dbraw/zinc/59/18/73/1024591873.db2.gz HWNNSKUUSRHUHI-KRWDZBQOSA-N 1 1 322.452 3.871 20 30 DHEDMO COC(=O)c1cccc(C[N@H+](C)C(C)(C)c2ccccc2)c1C#N ZINC000585754319 1024594128 /nfs/dbraw/zinc/59/41/28/1024594128.db2.gz HLJZTXMFCOZVBL-UHFFFAOYSA-N 1 1 322.408 3.712 20 30 DHEDMO COC(=O)c1cccc(C[N@@H+](C)C(C)(C)c2ccccc2)c1C#N ZINC000585754319 1024594139 /nfs/dbraw/zinc/59/41/39/1024594139.db2.gz HLJZTXMFCOZVBL-UHFFFAOYSA-N 1 1 322.408 3.712 20 30 DHEDMO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(C#N)cc2F)s1 ZINC000106878480 1024606304 /nfs/dbraw/zinc/60/63/04/1024606304.db2.gz UJOSCEMUHQONIC-NSHDSACASA-N 1 1 303.406 3.964 20 30 DHEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2F)s1 ZINC000106878480 1024606310 /nfs/dbraw/zinc/60/63/10/1024606310.db2.gz UJOSCEMUHQONIC-NSHDSACASA-N 1 1 303.406 3.964 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC001172493594 1033224761 /nfs/dbraw/zinc/22/47/61/1033224761.db2.gz NAGHOHLXWYHONL-AEFFLSMTSA-N 1 1 314.429 3.667 20 30 DHEDMO CO[C@@H](C)C[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000348836519 1024627963 /nfs/dbraw/zinc/62/79/63/1024627963.db2.gz CSVUFYYZHRFKIO-INIZCTEOSA-N 1 1 324.424 3.604 20 30 DHEDMO C[C@@H](CCCC#N)[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001172496855 1033226439 /nfs/dbraw/zinc/22/64/39/1033226439.db2.gz SERWGEYLJBOHCU-HNNXBMFYSA-N 1 1 323.481 3.648 20 30 DHEDMO CC[N@@H+]([C@H](C)CCCC#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001172499220 1033228443 /nfs/dbraw/zinc/22/84/43/1033228443.db2.gz VRALEMGKRRSYRO-CVEARBPZSA-N 1 1 323.481 3.790 20 30 DHEDMO CCC#C[C@H](C)[N@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC001170243754 1024708506 /nfs/dbraw/zinc/70/85/06/1024708506.db2.gz IUJUGUUCPBBFSS-HNNXBMFYSA-N 1 1 304.865 3.962 20 30 DHEDMO C=CCCC(C)(C)NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000663656862 1024716080 /nfs/dbraw/zinc/71/60/80/1024716080.db2.gz YKIIFETXVHNBAO-INIZCTEOSA-N 1 1 309.498 3.685 20 30 DHEDMO C=CC[C@H](C)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000349408079 1024717032 /nfs/dbraw/zinc/71/70/32/1024717032.db2.gz FRCOQCPHSBIXSY-HOCLYGCPSA-N 1 1 315.461 3.574 20 30 DHEDMO CC[N@@H+]1CC=C(c2cnc(NCC(C)(C)S)c(C)c2)CC1 ZINC001170304779 1024731247 /nfs/dbraw/zinc/73/12/47/1024731247.db2.gz AXHSYEBMUDYUGK-UHFFFAOYSA-N 1 1 305.491 3.619 20 30 DHEDMO CC(C)(S)CNc1cc[nH+]c2ccc(Br)cc12 ZINC001170305981 1024732781 /nfs/dbraw/zinc/73/27/81/1024732781.db2.gz JVSSRXYLVWMWOP-UHFFFAOYSA-N 1 1 311.248 3.540 20 30 DHEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)C12CCC2 ZINC001170325422 1024744503 /nfs/dbraw/zinc/74/45/03/1024744503.db2.gz ZZQVJWUJLGUAMM-CVEARBPZSA-N 1 1 304.821 3.601 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@]3(CCO3)C2)CC1 ZINC001170388868 1024761575 /nfs/dbraw/zinc/76/15/75/1024761575.db2.gz IEJZUBSZKBFPGE-MHJFOBGBSA-N 1 1 310.441 3.645 20 30 DHEDMO CCCO[C@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170387168 1024761865 /nfs/dbraw/zinc/76/18/65/1024761865.db2.gz SLKMCVBYSOLWDG-GPJFCIFZSA-N 1 1 312.457 3.891 20 30 DHEDMO N#CC1(c2ccccc2)CCC(N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC001170387660 1024762152 /nfs/dbraw/zinc/76/21/52/1024762152.db2.gz ZFZODEDTCBERIB-KBWCOIMZSA-N 1 1 323.484 3.561 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@@H+]2CCN3CCCC[C@H]3C2)CC1 ZINC001170387660 1024762158 /nfs/dbraw/zinc/76/21/58/1024762158.db2.gz ZFZODEDTCBERIB-KBWCOIMZSA-N 1 1 323.484 3.561 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCN3CCCC[C@H]3C2)CC1 ZINC001170387660 1024762172 /nfs/dbraw/zinc/76/21/72/1024762172.db2.gz ZFZODEDTCBERIB-KBWCOIMZSA-N 1 1 323.484 3.561 20 30 DHEDMO COc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1C ZINC000897414799 1024779055 /nfs/dbraw/zinc/77/90/55/1024779055.db2.gz LJYJZLUNCFTIRL-GFCCVEGCSA-N 1 1 315.804 3.775 20 30 DHEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC001172511531 1033238732 /nfs/dbraw/zinc/23/87/32/1033238732.db2.gz SIZDAWQBNQIGSY-OALUTQOASA-N 1 1 310.526 3.922 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3c(F)cccc32)c(F)c1 ZINC000350312330 1024806753 /nfs/dbraw/zinc/80/67/53/1024806753.db2.gz PDVFEXAVAUSJKW-QGZVFWFLSA-N 1 1 314.335 3.840 20 30 DHEDMO Cn1cc(C[NH2+][C@H]2CCC[C@H]2C#N)c(-c2ccccc2Cl)n1 ZINC000350456529 1024815885 /nfs/dbraw/zinc/81/58/85/1024815885.db2.gz GXWIORGOZNEFKP-LRDDRELGSA-N 1 1 314.820 3.522 20 30 DHEDMO CCCCCCC[C@H](CCC)[N@H+]1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001172509234 1033236897 /nfs/dbraw/zinc/23/68/97/1033236897.db2.gz UHOKUNUTGLOVGU-FCGDIQPGSA-N 1 1 311.510 3.987 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)ccc1C#N ZINC000792910604 1024835011 /nfs/dbraw/zinc/83/50/11/1024835011.db2.gz FDCVOWRZGRGYCZ-CABCVRRESA-N 1 1 309.240 3.882 20 30 DHEDMO C#CC[N@H+](Cc1nc2ccccc2o1)[C@@H]1CCc2ccccc21 ZINC000107681659 1024868131 /nfs/dbraw/zinc/86/81/31/1024868131.db2.gz YOPQMLYBNTYIPQ-GOSISDBHSA-N 1 1 302.377 3.951 20 30 DHEDMO C#CC[N@@H+](Cc1nc2ccccc2o1)[C@@H]1CCc2ccccc21 ZINC000107681659 1024868141 /nfs/dbraw/zinc/86/81/41/1024868141.db2.gz YOPQMLYBNTYIPQ-GOSISDBHSA-N 1 1 302.377 3.951 20 30 DHEDMO CCCCCCC[C@@H](C)C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001274928430 1024875358 /nfs/dbraw/zinc/87/53/58/1024875358.db2.gz HHIAEZLURSKEPD-IEBWSBKVSA-N 1 1 308.510 3.927 20 30 DHEDMO CCCCCCC[C@H](C)C(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC001274928713 1024881223 /nfs/dbraw/zinc/88/12/23/1024881223.db2.gz PCEHPFXGOFSDSK-KRWDZBQOSA-N 1 1 308.510 3.927 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)c1ccc(F)c(F)c1 ZINC000893667861 1024892045 /nfs/dbraw/zinc/89/20/45/1024892045.db2.gz DNIZJQQEAANEOP-QGZVFWFLSA-N 1 1 317.383 3.983 20 30 DHEDMO C=CCN1c2ccccc2[C@]2(CC[N@H+](C[C@H](C)CCC)C2)C1=O ZINC001275079516 1024902128 /nfs/dbraw/zinc/90/21/28/1024902128.db2.gz VECJXSALXTYCTL-OXQOHEQNSA-N 1 1 312.457 3.599 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+](C[C@H](C)CCC)CC2)C1=O ZINC001275082010 1024905287 /nfs/dbraw/zinc/90/52/87/1024905287.db2.gz KRQHCNASECTFLP-MJGOQNOKSA-N 1 1 306.494 3.703 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C1CCCC1 ZINC001275111937 1024917512 /nfs/dbraw/zinc/91/75/12/1024917512.db2.gz UDYPNFFBYHVSBN-QZTJIDSGSA-N 1 1 306.494 3.965 20 30 DHEDMO C#CCN1CC[C@@]2(CCC[N@H+](CCCCCCCC)CC2)C1=O ZINC001275114354 1024920503 /nfs/dbraw/zinc/92/05/03/1024920503.db2.gz MWUDXLYEBHTAMS-FQEVSTJZSA-N 1 1 318.505 3.685 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@]2(CCN(CCCC#N)C2=O)C1 ZINC001275114289 1024922216 /nfs/dbraw/zinc/92/22/16/1024922216.db2.gz LXYSMJVSTXEAHQ-IBGZPJMESA-N 1 1 319.493 3.575 20 30 DHEDMO CCCCCCCCCC[N@H+]1CCC[C@]2(CC(=O)N(C)C2=O)C1 ZINC001275119177 1024923252 /nfs/dbraw/zinc/92/32/52/1024923252.db2.gz OEXIYTUMFJEJJE-IBGZPJMESA-N 1 1 322.493 3.598 20 30 DHEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCCCCCCC ZINC001275119484 1024924601 /nfs/dbraw/zinc/92/46/01/1024924601.db2.gz TZOJYGHLHHLQFH-QZTJIDSGSA-N 1 1 306.494 3.988 20 30 DHEDMO C=CCN1c2ccccc2[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1=O ZINC001275126655 1024924819 /nfs/dbraw/zinc/92/48/19/1024924819.db2.gz GDRVCXJHGKDFDU-FQEVSTJZSA-N 1 1 312.457 3.599 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H](c2ccccc2)C(C)C)n1 ZINC000793183051 1024927244 /nfs/dbraw/zinc/92/72/44/1024927244.db2.gz BBSQQZKMFXCTKC-HXUWFJFHSA-N 1 1 309.457 3.778 20 30 DHEDMO N#Cc1cccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)c1F ZINC000352877956 1024936330 /nfs/dbraw/zinc/93/63/30/1024936330.db2.gz RJTAVVTVNHLEGC-IBGZPJMESA-N 1 1 324.399 3.569 20 30 DHEDMO C=CCCn1cc(C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)nn1 ZINC000653608852 1024948651 /nfs/dbraw/zinc/94/86/51/1024948651.db2.gz JPNCGMLWANVZQI-GOSISDBHSA-N 1 1 314.408 3.543 20 30 DHEDMO CC(C)C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000119224889 1024958311 /nfs/dbraw/zinc/95/83/11/1024958311.db2.gz SCYZSABOBFLYNZ-INIZCTEOSA-N 1 1 324.428 3.866 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)c(OC(F)F)c1 ZINC000610613970 1025000281 /nfs/dbraw/zinc/00/02/81/1025000281.db2.gz ZRHJBTOOMXOGQY-CQSZACIVSA-N 1 1 318.323 3.742 20 30 DHEDMO C[N@H+](Cc1ccnn1-c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000353375702 1025044896 /nfs/dbraw/zinc/04/48/96/1025044896.db2.gz ALPZYVYVVPMHKU-UHFFFAOYSA-N 1 1 320.371 3.515 20 30 DHEDMO C[N@@H+](Cc1ccnn1-c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000353375702 1025044909 /nfs/dbraw/zinc/04/49/09/1025044909.db2.gz ALPZYVYVVPMHKU-UHFFFAOYSA-N 1 1 320.371 3.515 20 30 DHEDMO Cc1ccccc1-n1nccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000353387631 1025049534 /nfs/dbraw/zinc/04/95/34/1025049534.db2.gz ZDXLUNGUTRDGLQ-UHFFFAOYSA-N 1 1 316.408 3.684 20 30 DHEDMO Cc1ccccc1-n1nccc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000353387631 1025049592 /nfs/dbraw/zinc/04/95/92/1025049592.db2.gz ZDXLUNGUTRDGLQ-UHFFFAOYSA-N 1 1 316.408 3.684 20 30 DHEDMO C=CCCCCC[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000793551889 1025099984 /nfs/dbraw/zinc/09/99/84/1025099984.db2.gz WFWMHUMDFNORGK-SXLOBPIMSA-N 1 1 322.537 3.869 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](c3ccccc3OC)C2)cc1C#N ZINC000135092833 1033259920 /nfs/dbraw/zinc/25/99/20/1033259920.db2.gz RYGHNFQRYCOSRN-INIZCTEOSA-N 1 1 322.408 3.565 20 30 DHEDMO Cc1sccc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000353549235 1025125703 /nfs/dbraw/zinc/12/57/03/1025125703.db2.gz JEGBULARXYFWGT-UHFFFAOYSA-N 1 1 300.427 3.577 20 30 DHEDMO Cc1nc(NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000310285418 1025169135 /nfs/dbraw/zinc/16/91/35/1025169135.db2.gz MBKHBULGEVSQQE-HXUWFJFHSA-N 1 1 320.440 3.586 20 30 DHEDMO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352831168 1025281612 /nfs/dbraw/zinc/28/16/12/1025281612.db2.gz CEBSTAVFKXIFMO-GFCCVEGCSA-N 1 1 301.415 3.653 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000126074880 1025283903 /nfs/dbraw/zinc/28/39/03/1025283903.db2.gz YGYKGRQCGHGSJA-LJQANCHMSA-N 1 1 312.388 3.643 20 30 DHEDMO COCc1cnc(C[NH2+][C@H](CCCC#N)c2ccccc2)s1 ZINC000353914011 1025288618 /nfs/dbraw/zinc/28/86/18/1025288618.db2.gz JYLCIIGTCBWUEJ-MRXNPFEDSA-N 1 1 315.442 3.814 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@H](C)CC2(C)C)cc1OCCCC#N ZINC000353918967 1025289995 /nfs/dbraw/zinc/28/99/95/1025289995.db2.gz JSUBHIBNAGHGNX-OAHLLOKOSA-N 1 1 316.445 3.998 20 30 DHEDMO CC[N@@H+](Cc1cc(C#N)cs1)[C@@H](COC)Cc1ccccc1 ZINC000354055218 1025337417 /nfs/dbraw/zinc/33/74/17/1025337417.db2.gz ZWKRCEDXLSOKEY-QGZVFWFLSA-N 1 1 314.454 3.699 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](CCOC)Cc2ccc(C)o2)cc1 ZINC000354110015 1025354909 /nfs/dbraw/zinc/35/49/09/1025354909.db2.gz NRAJMQIFQFVUGR-UHFFFAOYSA-N 1 1 315.413 3.801 20 30 DHEDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000015292979 1025374273 /nfs/dbraw/zinc/37/42/73/1025374273.db2.gz QGOAPQMANXGGNI-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO C=CCc1cc(C[N@@H+]2CCc3sccc3C2)cc(OC)c1O ZINC000124281136 1025422156 /nfs/dbraw/zinc/42/21/56/1025422156.db2.gz SVBGZIOEXABCJQ-UHFFFAOYSA-N 1 1 315.438 3.749 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCc3sccc3C2)cc(OC)c1O ZINC000124281136 1025422159 /nfs/dbraw/zinc/42/21/59/1025422159.db2.gz SVBGZIOEXABCJQ-UHFFFAOYSA-N 1 1 315.438 3.749 20 30 DHEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886008420 1025436644 /nfs/dbraw/zinc/43/66/44/1025436644.db2.gz MCVCHBAPXDXWNT-ROUUACIJSA-N 1 1 300.446 3.760 20 30 DHEDMO C=CCCCCC[N@@H+]1CCCC[C@]12CC(=O)N(CC(C)C)C2 ZINC001275328690 1025438008 /nfs/dbraw/zinc/43/80/08/1025438008.db2.gz ATPULZYOXLPTTC-LJQANCHMSA-N 1 1 306.494 3.846 20 30 DHEDMO C=CCCCCCC[N@@H+]1CCC[C@@]12CCN([C@H](C)CC)C2=O ZINC001275329302 1025439341 /nfs/dbraw/zinc/43/93/41/1025439341.db2.gz RSJOXEKORNFVOF-MJGOQNOKSA-N 1 1 306.494 3.988 20 30 DHEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886021461 1025443044 /nfs/dbraw/zinc/44/30/44/1025443044.db2.gz WZPAFVZPDCSUBL-FHLIZLRMSA-N 1 1 316.420 3.653 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000126230608 1025503860 /nfs/dbraw/zinc/50/38/60/1025503860.db2.gz JNXBLSYFGMGGNN-KRWDZBQOSA-N 1 1 314.429 3.533 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000126230400 1025505259 /nfs/dbraw/zinc/50/52/59/1025505259.db2.gz JNXBLSYFGMGGNN-QGZVFWFLSA-N 1 1 314.429 3.533 20 30 DHEDMO Cc1ccccc1O[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC001137119397 1033287494 /nfs/dbraw/zinc/28/74/94/1033287494.db2.gz LSCKBGKBIHIHIB-IBGZPJMESA-N 1 1 322.408 3.551 20 30 DHEDMO CC1(C)C[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@@H]1c1cccs1 ZINC000886207487 1025558238 /nfs/dbraw/zinc/55/82/38/1025558238.db2.gz DSSHBVFLBKPRRF-UKRRQHHQSA-N 1 1 304.459 3.576 20 30 DHEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000886242800 1025571802 /nfs/dbraw/zinc/57/18/02/1025571802.db2.gz DTRYPWLAPXXBLJ-QRVBRYPASA-N 1 1 312.457 3.699 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)CCC1 ZINC000886277668 1025581347 /nfs/dbraw/zinc/58/13/47/1025581347.db2.gz YPOLZVORGHJFQP-NVXWUHKLSA-N 1 1 314.429 3.642 20 30 DHEDMO CCN(Cc1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355028857 1025583416 /nfs/dbraw/zinc/58/34/16/1025583416.db2.gz SYWJNDIAXBFABY-NRFANRHFSA-N 1 1 319.452 3.655 20 30 DHEDMO CC[N@H+](Cc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000355028857 1025583423 /nfs/dbraw/zinc/58/34/23/1025583423.db2.gz SYWJNDIAXBFABY-NRFANRHFSA-N 1 1 319.452 3.655 20 30 DHEDMO CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000355028857 1025583432 /nfs/dbraw/zinc/58/34/32/1025583432.db2.gz SYWJNDIAXBFABY-NRFANRHFSA-N 1 1 319.452 3.655 20 30 DHEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000886361445 1025602925 /nfs/dbraw/zinc/60/29/25/1025602925.db2.gz IIIHGWADZOZVRN-STQMWFEESA-N 1 1 303.356 3.838 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143544507 1025603910 /nfs/dbraw/zinc/60/39/10/1025603910.db2.gz FKJXTVDGTBMMHF-NSHDSACASA-N 1 1 301.283 3.570 20 30 DHEDMO CC[N@@H+](CCCC(C)(C)C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412892 1025616409 /nfs/dbraw/zinc/61/64/09/1025616409.db2.gz WCWKANMGRDSDKT-HNNXBMFYSA-N 1 1 323.481 3.648 20 30 DHEDMO CC[N@@H+](Cc1cnc2onc(C)c2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000893950752 1025622317 /nfs/dbraw/zinc/62/23/17/1025622317.db2.gz AFYZJABYKWOJGV-CQSZACIVSA-N 1 1 320.396 3.986 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000355260968 1025657269 /nfs/dbraw/zinc/65/72/69/1025657269.db2.gz ABJOMWKLKIRVRP-INIZCTEOSA-N 1 1 319.408 3.573 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000355260968 1025657278 /nfs/dbraw/zinc/65/72/78/1025657278.db2.gz ABJOMWKLKIRVRP-INIZCTEOSA-N 1 1 319.408 3.573 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC000886610490 1025734973 /nfs/dbraw/zinc/73/49/73/1025734973.db2.gz CGQMGDSQOUJYHY-ZFWWWQNUSA-N 1 1 312.310 3.862 20 30 DHEDMO Cn1cc(C[N@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)cc1C#N ZINC000573628901 1025738173 /nfs/dbraw/zinc/73/81/73/1025738173.db2.gz IKWXVBODZSNXSL-GOSISDBHSA-N 1 1 311.404 3.633 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(Br)cn1 ZINC000355493543 1025743323 /nfs/dbraw/zinc/74/33/23/1025743323.db2.gz IVDJBXFTVCVJAO-VIFPVBQESA-N 1 1 322.231 3.628 20 30 DHEDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168215 1025792210 /nfs/dbraw/zinc/79/22/10/1025792210.db2.gz YRCOGUVBHCCPEL-KRWDZBQOSA-N 1 1 322.452 3.871 20 30 DHEDMO CC(C)(C)C[N@@H+](CCCO)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614167585 1025792934 /nfs/dbraw/zinc/79/29/34/1025792934.db2.gz ZUMDXHYWJKKPIF-UHFFFAOYSA-N 1 1 302.462 3.718 20 30 DHEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000614175412 1025810227 /nfs/dbraw/zinc/81/02/27/1025810227.db2.gz MFAPOHDVWMMXBA-QFBILLFUSA-N 1 1 313.489 3.650 20 30 DHEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000614175412 1025810240 /nfs/dbraw/zinc/81/02/40/1025810240.db2.gz MFAPOHDVWMMXBA-QFBILLFUSA-N 1 1 313.489 3.650 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000614179803 1025816326 /nfs/dbraw/zinc/81/63/26/1025816326.db2.gz NIBQBHGGPBMCDU-HUUCEWRRSA-N 1 1 318.848 3.850 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000614179803 1025816349 /nfs/dbraw/zinc/81/63/49/1025816349.db2.gz NIBQBHGGPBMCDU-HUUCEWRRSA-N 1 1 318.848 3.850 20 30 DHEDMO N#Cc1ccc(CNCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000053140078 1025826007 /nfs/dbraw/zinc/82/60/07/1025826007.db2.gz RCSDQTFRXCSPPI-UHFFFAOYSA-N 1 1 319.452 3.834 20 30 DHEDMO Cc1ccc([C@@H]2CSCC[N@H+]2CCCSCC#N)cc1 ZINC000074991063 1025831222 /nfs/dbraw/zinc/83/12/22/1025831222.db2.gz MKMQWSGJKGHVEF-INIZCTEOSA-N 1 1 306.500 3.732 20 30 DHEDMO CC[N@@H+](CCCSCC#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000074990585 1025831704 /nfs/dbraw/zinc/83/17/04/1025831704.db2.gz ISLKRCBPFBXIST-OAHLLOKOSA-N 1 1 306.475 3.595 20 30 DHEDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075637843 1025846639 /nfs/dbraw/zinc/84/66/39/1025846639.db2.gz UWWALPDFYJAKLC-BBRMVZONSA-N 1 1 310.401 3.619 20 30 DHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075637845 1025848778 /nfs/dbraw/zinc/84/87/78/1025848778.db2.gz UWWALPDFYJAKLC-CZUORRHYSA-N 1 1 310.401 3.619 20 30 DHEDMO CCCCCCCC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000105399100 1025925119 /nfs/dbraw/zinc/92/51/19/1025925119.db2.gz CQJILAZPTKTONA-UHFFFAOYSA-N 1 1 308.491 3.583 20 30 DHEDMO CCCCCCCC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000105399100 1025925131 /nfs/dbraw/zinc/92/51/31/1025925131.db2.gz CQJILAZPTKTONA-UHFFFAOYSA-N 1 1 308.491 3.583 20 30 DHEDMO C[N@H+](Cc1nc(C#N)cs1)CC12CC3CC(CC(C3)C1)C2 ZINC000356054013 1025929568 /nfs/dbraw/zinc/92/95/68/1025929568.db2.gz JSBRIDJRKPLWHG-UHFFFAOYSA-N 1 1 301.459 3.663 20 30 DHEDMO C[N@@H+](Cc1nc(C#N)cs1)CC12CC3CC(CC(C3)C1)C2 ZINC000356054013 1025929584 /nfs/dbraw/zinc/92/95/84/1025929584.db2.gz JSBRIDJRKPLWHG-UHFFFAOYSA-N 1 1 301.459 3.663 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356059567 1025932288 /nfs/dbraw/zinc/93/22/88/1025932288.db2.gz PWAWUYJNMAYEOR-UHFFFAOYSA-N 1 1 320.314 3.915 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)n1 ZINC000356063792 1025934028 /nfs/dbraw/zinc/93/40/28/1025934028.db2.gz XEBSMUIUVXDNIJ-AWEZNQCLSA-N 1 1 317.845 3.875 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)n1 ZINC000356063792 1025934018 /nfs/dbraw/zinc/93/40/18/1025934018.db2.gz XEBSMUIUVXDNIJ-AWEZNQCLSA-N 1 1 317.845 3.875 20 30 DHEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000356117391 1025950559 /nfs/dbraw/zinc/95/05/59/1025950559.db2.gz WMPUDXQGURGKPO-WCQYABFASA-N 1 1 301.390 3.532 20 30 DHEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1nc(C#N)cs1 ZINC000356117391 1025950574 /nfs/dbraw/zinc/95/05/74/1025950574.db2.gz WMPUDXQGURGKPO-WCQYABFASA-N 1 1 301.390 3.532 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000614222934 1025953667 /nfs/dbraw/zinc/95/36/67/1025953667.db2.gz SJMRNEBRGUFEOT-UHFFFAOYSA-N 1 1 312.457 3.880 20 30 DHEDMO N#CC1(CC[N@H+](CCO)[C@H]2CCc3ccccc32)CCCCC1 ZINC000411324540 1025957330 /nfs/dbraw/zinc/95/73/30/1025957330.db2.gz GFXCQESQWCNGNM-IBGZPJMESA-N 1 1 312.457 3.832 20 30 DHEDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nc(C#N)cs2)C12CCCCC2 ZINC000356126715 1025958462 /nfs/dbraw/zinc/95/84/62/1025958462.db2.gz NNPCXTJDWOZSBR-CABCVRRESA-N 1 1 319.474 3.574 20 30 DHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2nc(C#N)cs2)C12CCCCC2 ZINC000356126715 1025958469 /nfs/dbraw/zinc/95/84/69/1025958469.db2.gz NNPCXTJDWOZSBR-CABCVRRESA-N 1 1 319.474 3.574 20 30 DHEDMO C[C@@H]1SCC[N@@H+](CCCSCC#N)[C@@H]1c1ccccc1 ZINC000080629003 1025973848 /nfs/dbraw/zinc/97/38/48/1025973848.db2.gz KJFIBFCRHHUEOP-HOCLYGCPSA-N 1 1 306.500 3.812 20 30 DHEDMO C[N@H+](Cc1cccnc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356432068 1026048874 /nfs/dbraw/zinc/04/88/74/1026048874.db2.gz FIVTYQXXNQGSRI-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1cccnc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356432068 1026048889 /nfs/dbraw/zinc/04/88/89/1026048889.db2.gz FIVTYQXXNQGSRI-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO Cn1c2ccc(NCc3ccc(C#N)cc3)cc2[nH+]c1C1CC1 ZINC000089806746 1026066405 /nfs/dbraw/zinc/06/64/05/1026066405.db2.gz HJTFWQVDYXUMDV-UHFFFAOYSA-N 1 1 302.381 3.934 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000356522250 1026072794 /nfs/dbraw/zinc/07/27/94/1026072794.db2.gz IJEQUARLERDPHX-RTBURBONSA-N 1 1 313.441 3.785 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000356526672 1026074889 /nfs/dbraw/zinc/07/48/89/1026074889.db2.gz ONJMRTQAPFHFOF-RBUKOAKNSA-N 1 1 313.441 3.785 20 30 DHEDMO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C#N)o1)CCC2 ZINC000093767914 1026123297 /nfs/dbraw/zinc/12/32/97/1026123297.db2.gz FNDJWIFRKOYTRW-CQSZACIVSA-N 1 1 301.415 3.680 20 30 DHEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(C#N)o1)CCC2 ZINC000093767914 1026123307 /nfs/dbraw/zinc/12/33/07/1026123307.db2.gz FNDJWIFRKOYTRW-CQSZACIVSA-N 1 1 301.415 3.680 20 30 DHEDMO Cc1cc(C)c(NC(=O)CCC[N@H+](C)CC(C)(C)C#N)c(C)c1 ZINC000433299466 1026132067 /nfs/dbraw/zinc/13/20/67/1026132067.db2.gz QSSVUEFQHZYWBH-UHFFFAOYSA-N 1 1 315.461 3.812 20 30 DHEDMO CC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000532969624 1026153230 /nfs/dbraw/zinc/15/32/30/1026153230.db2.gz MODYGRHDSPWGJZ-OAHLLOKOSA-N 1 1 319.836 3.661 20 30 DHEDMO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419330632 1026173643 /nfs/dbraw/zinc/17/36/43/1026173643.db2.gz IBYXDMAPOLVHKU-KBPBESRZSA-N 1 1 319.474 3.705 20 30 DHEDMO COc1ccc2c(c1)CCC[N@H+](CC#Cc1ccc(F)cc1)C2 ZINC000533010649 1026179213 /nfs/dbraw/zinc/17/92/13/1026179213.db2.gz RIZACMRGGPQROP-UHFFFAOYSA-N 1 1 309.384 3.634 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000614406783 1026302939 /nfs/dbraw/zinc/30/29/39/1026302939.db2.gz SXQZLFNZHHINII-OAQYLSRUSA-N 1 1 318.420 3.888 20 30 DHEDMO C#Cc1ccc(C[N@H+](C)Cc2ccccc2N2CCCC2)cc1 ZINC000809541593 1026548893 /nfs/dbraw/zinc/54/88/93/1026548893.db2.gz UVSAZWZJLJWZSX-UHFFFAOYSA-N 1 1 304.437 3.900 20 30 DHEDMO C#C[C@H](C)[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1Cl ZINC000809683833 1026591155 /nfs/dbraw/zinc/59/11/55/1026591155.db2.gz HJGCHZRGXKQBCC-JTQLQIEISA-N 1 1 308.212 3.599 20 30 DHEDMO C#C[C@@H](C)[NH2+]Cc1c(Cl)n(Cc2ccccc2)nc1C(C)C ZINC000809683738 1026593042 /nfs/dbraw/zinc/59/30/42/1026593042.db2.gz MNXLXQXZTNJCHV-CQSZACIVSA-N 1 1 315.848 3.820 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000809728504 1026594681 /nfs/dbraw/zinc/59/46/81/1026594681.db2.gz ADTRIPNMTRUWSC-FQEVSTJZSA-N 1 1 320.440 3.769 20 30 DHEDMO C#CC[N@@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccccc1 ZINC000809716991 1026603797 /nfs/dbraw/zinc/60/37/97/1026603797.db2.gz AYKAUJPNTINADL-UHFFFAOYSA-N 1 1 307.422 3.569 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000809763483 1026620507 /nfs/dbraw/zinc/62/05/07/1026620507.db2.gz NXXMGJAUGCUIHZ-HNNXBMFYSA-N 1 1 307.397 3.537 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(OC)cc2)n1)C(C)(C)C ZINC000809782326 1026624098 /nfs/dbraw/zinc/62/40/98/1026624098.db2.gz PCUZPOOGCMGHDY-MRXNPFEDSA-N 1 1 314.454 3.956 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C2CCC(F)(F)CC2)cc1 ZINC000809782535 1026624384 /nfs/dbraw/zinc/62/43/84/1026624384.db2.gz XFEUTXOKJBOYOK-ZDUSSCGKSA-N 1 1 308.372 3.987 20 30 DHEDMO C=CCC[C@H]([NH2+]Cc1cnn(C)n1)c1ccc(C(F)(F)F)cc1 ZINC000809973013 1026653058 /nfs/dbraw/zinc/65/30/58/1026653058.db2.gz QYMNVKZOBWBHLS-HNNXBMFYSA-N 1 1 324.350 3.631 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000353161997 1026795145 /nfs/dbraw/zinc/79/51/45/1026795145.db2.gz GPTKNTJUFOTQRQ-UHFFFAOYSA-N 1 1 305.372 3.775 20 30 DHEDMO C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccccc1)c1ccc(C#N)s1 ZINC000366683628 1026856244 /nfs/dbraw/zinc/85/62/44/1026856244.db2.gz VUQRQMNTOHBOTD-FZKQIMNGSA-N 1 1 322.437 3.793 20 30 DHEDMO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000420933605 1026881629 /nfs/dbraw/zinc/88/16/29/1026881629.db2.gz GGMPPXVLQHHIHJ-SJLPKXTDSA-N 1 1 320.436 3.676 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420949207 1026887976 /nfs/dbraw/zinc/88/79/76/1026887976.db2.gz ONCTZYKUDVKJOL-ZDUSSCGKSA-N 1 1 312.335 3.731 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420952708 1026891192 /nfs/dbraw/zinc/89/11/92/1026891192.db2.gz SFVPBDXSQLWHAP-ZDUSSCGKSA-N 1 1 312.335 3.731 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000414488623 1026912307 /nfs/dbraw/zinc/91/23/07/1026912307.db2.gz RJBMTSTZMQQPIG-AZUAARDMSA-N 1 1 309.409 3.559 20 30 DHEDMO C[N@@H+](CCc1cccc(NCc2ccc(C#N)c(F)c2)c1)C1CC1 ZINC000421340121 1026956498 /nfs/dbraw/zinc/95/64/98/1026956498.db2.gz HXVARXIOTRHIEX-UHFFFAOYSA-N 1 1 323.415 3.946 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@@]2(C)Cc2ccc(F)cc2)cc1C#N ZINC000421362646 1026964296 /nfs/dbraw/zinc/96/42/96/1026964296.db2.gz NVPXMHJIWXTSKV-IBGZPJMESA-N 1 1 311.404 3.633 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCCCC2=NNC[C@H]2CCSC2)C1 ZINC000811658272 1027044184 /nfs/dbraw/zinc/04/41/84/1027044184.db2.gz DWPMHTXDUUZRGX-HPFXQQBRSA-N 1 1 323.550 3.606 20 30 DHEDMO Cl/C=C\CON=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000811669442 1027058182 /nfs/dbraw/zinc/05/81/82/1027058182.db2.gz OZQQRJBOPOXKQS-BEXJNJRKSA-N 1 1 304.821 3.939 20 30 DHEDMO N#Cc1ccccc1SCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421837397 1027063338 /nfs/dbraw/zinc/06/33/38/1027063338.db2.gz QMLIBQGWVGCUPS-UHFFFAOYSA-N 1 1 324.449 3.683 20 30 DHEDMO CCn1nc(C)c(C[N@H+](C)Cc2cc(Cl)cc(C#N)c2)c1C ZINC000931381301 1027106139 /nfs/dbraw/zinc/10/61/39/1027106139.db2.gz YSJSSVSSSXEWOJ-UHFFFAOYSA-N 1 1 316.836 3.677 20 30 DHEDMO CCn1nc(C)c(C[N@@H+](C)Cc2cc(Cl)cc(C#N)c2)c1C ZINC000931381301 1027106151 /nfs/dbraw/zinc/10/61/51/1027106151.db2.gz YSJSSVSSSXEWOJ-UHFFFAOYSA-N 1 1 316.836 3.677 20 30 DHEDMO C[C@H](C[N@@H+](Cc1ccccc1C#N)[C@@H](C)CO)c1ccccc1 ZINC000561909849 1027120064 /nfs/dbraw/zinc/12/00/64/1027120064.db2.gz ACOUALFZLYQONH-SJORKVTESA-N 1 1 308.425 3.545 20 30 DHEDMO CC[C@H](CO)[N@H+](Cc1ccccc1)CC1CCC(C#N)CC1 ZINC000931565495 1027171953 /nfs/dbraw/zinc/17/19/53/1027171953.db2.gz HLKPXWWDVBLPRA-NKELODKYSA-N 1 1 300.446 3.589 20 30 DHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)C1 ZINC000362385316 1027175830 /nfs/dbraw/zinc/17/58/30/1027175830.db2.gz XABOCWNTNHNYRG-CVEARBPZSA-N 1 1 313.470 3.917 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCO[C@@H](C(F)(F)F)CC2)CCC1 ZINC000931620943 1027191288 /nfs/dbraw/zinc/19/12/88/1027191288.db2.gz SPKFTCIDVYEJJX-CYBMUJFWSA-N 1 1 304.356 3.504 20 30 DHEDMO CCc1ccc([C@H]2CC[N@@H+](CCOc3cccc(C#N)c3)C2)cc1 ZINC001170669904 1027215265 /nfs/dbraw/zinc/21/52/65/1027215265.db2.gz PUWWRMPRTJJKFG-FQEVSTJZSA-N 1 1 320.436 3.989 20 30 DHEDMO C=CCCC[C@H]([NH2+]Cc1noc2c1COCC2)c1ccccc1 ZINC000931693329 1027218001 /nfs/dbraw/zinc/21/80/01/1027218001.db2.gz AFDQKAWOCPEFMD-KRWDZBQOSA-N 1 1 312.413 3.935 20 30 DHEDMO CO[C@@]1(C(F)(F)F)CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000931687476 1027218527 /nfs/dbraw/zinc/21/85/27/1027218527.db2.gz XRBKFFVHQGCZIJ-AWEZNQCLSA-N 1 1 304.356 3.504 20 30 DHEDMO N#Cc1ccc2c(c1)[C@@H](NC[C@H]1CCC[N@H+]1C1CCCCC1)CC2 ZINC000562100601 1027236852 /nfs/dbraw/zinc/23/68/52/1027236852.db2.gz TXLNMBCUFYPTHS-CTNGQTDRSA-N 1 1 323.484 3.932 20 30 DHEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCN1C1CCCCC1)CC2 ZINC000562100601 1027236865 /nfs/dbraw/zinc/23/68/65/1027236865.db2.gz TXLNMBCUFYPTHS-CTNGQTDRSA-N 1 1 323.484 3.932 20 30 DHEDMO N#CC1CCC(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CC1 ZINC000931749271 1027243496 /nfs/dbraw/zinc/24/34/96/1027243496.db2.gz MSNPTDMWLDHIBJ-WUCCLRPBSA-N 1 1 300.368 3.981 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000572980681 1027247900 /nfs/dbraw/zinc/24/79/00/1027247900.db2.gz IMEBQZAOSCRLMS-RISCZKNCSA-N 1 1 305.834 3.910 20 30 DHEDMO C=CCc1cc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)cc(OC)c1O ZINC000562206405 1027292409 /nfs/dbraw/zinc/29/24/09/1027292409.db2.gz XELNOEYGVDNVLW-SFHVURJKSA-N 1 1 301.430 3.750 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)CC1 ZINC000931908508 1027297223 /nfs/dbraw/zinc/29/72/23/1027297223.db2.gz AJJPLKPQZAJCOF-BPCQOVAHSA-N 1 1 304.331 3.683 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)ccc1C#N ZINC000931910223 1027299981 /nfs/dbraw/zinc/29/99/81/1027299981.db2.gz BVUYZUXETJHULF-AWEZNQCLSA-N 1 1 312.310 3.733 20 30 DHEDMO C=CCCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000812493254 1027301498 /nfs/dbraw/zinc/30/14/98/1027301498.db2.gz CCDLJYKKQUFSPK-SJORKVTESA-N 1 1 309.498 3.637 20 30 DHEDMO C=CCCCCCCCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000812494672 1027303609 /nfs/dbraw/zinc/30/36/09/1027303609.db2.gz PFQIZFLTQYWBNA-MSOLQXFVSA-N 1 1 321.509 3.639 20 30 DHEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccccc2)c1 ZINC000562246956 1027324244 /nfs/dbraw/zinc/32/42/44/1027324244.db2.gz RYJUFKUUNSJGOQ-LJQANCHMSA-N 1 1 319.408 3.724 20 30 DHEDMO Cc1ccccc1CCC[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000573836813 1027333106 /nfs/dbraw/zinc/33/31/06/1027333106.db2.gz MNTJPMYAOGTKCC-UHFFFAOYSA-N 1 1 322.452 3.948 20 30 DHEDMO Cn1ccc([C@H]2CCC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)n1 ZINC000932137501 1027381013 /nfs/dbraw/zinc/38/10/13/1027381013.db2.gz WRTIHMAFBMAXEU-KRWDZBQOSA-N 1 1 322.456 3.601 20 30 DHEDMO C#CCCOc1ccc(C[NH2+][C@@H](C#C)c2ccc(F)cc2)cc1 ZINC000812793325 1027419306 /nfs/dbraw/zinc/41/93/06/1027419306.db2.gz UBRLDZKEXJVTSY-FQEVSTJZSA-N 1 1 307.368 3.692 20 30 DHEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812849949 1027445576 /nfs/dbraw/zinc/44/55/76/1027445576.db2.gz QZLVSLAUEARXIH-OXJNMPFZSA-N 1 1 324.424 3.533 20 30 DHEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812849951 1027447101 /nfs/dbraw/zinc/44/71/01/1027447101.db2.gz QZLVSLAUEARXIH-UZLBHIALSA-N 1 1 324.424 3.533 20 30 DHEDMO CC(C)c1ccc([C@@H]([NH3+])CN[C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000423233624 1027469235 /nfs/dbraw/zinc/46/92/35/1027469235.db2.gz DVUULKSVAMXCPC-SFTDATJTSA-N 1 1 319.452 3.959 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@H]([NH3+])c1ccccc1 ZINC000423247886 1027475908 /nfs/dbraw/zinc/47/59/08/1027475908.db2.gz LYDJDVZXGWARDX-VQTJNVASSA-N 1 1 305.425 3.615 20 30 DHEDMO C#CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C(C)(C)C ZINC000932461341 1027504621 /nfs/dbraw/zinc/50/46/21/1027504621.db2.gz AOWGUDXBHNPILF-UHFFFAOYSA-N 1 1 313.228 3.666 20 30 DHEDMO C#CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C(C)(C)C ZINC000932461341 1027504633 /nfs/dbraw/zinc/50/46/33/1027504633.db2.gz AOWGUDXBHNPILF-UHFFFAOYSA-N 1 1 313.228 3.666 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC000363115157 1027525751 /nfs/dbraw/zinc/52/57/51/1027525751.db2.gz XBQUNGJIDUPLAF-UHFFFAOYSA-N 1 1 303.425 3.668 20 30 DHEDMO CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423505270 1027566239 /nfs/dbraw/zinc/56/62/39/1027566239.db2.gz OGQNMVMPIGSAJP-ORAYPTAESA-N 1 1 311.404 3.610 20 30 DHEDMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000932686480 1027584221 /nfs/dbraw/zinc/58/42/21/1027584221.db2.gz IDMPYNDNZFKQIU-MPGHIAIKSA-N 1 1 306.450 3.513 20 30 DHEDMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000932686481 1027585380 /nfs/dbraw/zinc/58/53/80/1027585380.db2.gz IDMPYNDNZFKQIU-RKVPGOIHSA-N 1 1 306.450 3.513 20 30 DHEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000576364998 1027607342 /nfs/dbraw/zinc/60/73/42/1027607342.db2.gz RHQHELRJTPSHEO-HNNXBMFYSA-N 1 1 310.235 3.789 20 30 DHEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCC1CCCC1 ZINC001275831028 1027617310 /nfs/dbraw/zinc/61/73/10/1027617310.db2.gz IWZNRHKQBIYWEV-QZTJIDSGSA-N 1 1 304.478 3.598 20 30 DHEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944930 1027655101 /nfs/dbraw/zinc/65/51/01/1027655101.db2.gz OLKOCVADSJBZJS-OCAPTIKFSA-N 1 1 323.227 3.665 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000047740718 1027679097 /nfs/dbraw/zinc/67/90/97/1027679097.db2.gz CUSZMZLIBZXZSX-UHFFFAOYSA-N 1 1 309.369 3.879 20 30 DHEDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3ccc(C#N)c(C)c3)C2)n1 ZINC000933124953 1027681190 /nfs/dbraw/zinc/68/11/90/1027681190.db2.gz BWDCHCQCNKQHIG-MRXNPFEDSA-N 1 1 311.454 3.696 20 30 DHEDMO N#CCCCC[N@@H+]1CCc2cc(F)c(Br)cc2C1 ZINC000933141642 1027685940 /nfs/dbraw/zinc/68/59/40/1027685940.db2.gz JOQWQQGKPIYYOU-UHFFFAOYSA-N 1 1 311.198 3.640 20 30 DHEDMO N#CCCCC[N@H+]1CCc2cc(F)c(Br)cc2C1 ZINC000933141642 1027685944 /nfs/dbraw/zinc/68/59/44/1027685944.db2.gz JOQWQQGKPIYYOU-UHFFFAOYSA-N 1 1 311.198 3.640 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)CC1Cc2ccccc2C1 ZINC000577110536 1027708873 /nfs/dbraw/zinc/70/88/73/1027708873.db2.gz LIAVFXHNTSFJLG-UHFFFAOYSA-N 1 1 311.425 3.565 20 30 DHEDMO C[C@]1([NH2+]Cc2ccc(Cl)cc2C#N)CCOc2ccccc21 ZINC000933369528 1027724740 /nfs/dbraw/zinc/72/47/40/1027724740.db2.gz HUCVMMMZOBIQCB-SFHVURJKSA-N 1 1 312.800 3.999 20 30 DHEDMO Cc1nnc([C@@H](C)[NH+]2CCC(c3ccc(C#N)cc3)CC2)s1 ZINC000933612879 1027772766 /nfs/dbraw/zinc/77/27/66/1027772766.db2.gz SKXOJXFQOUSOEI-GFCCVEGCSA-N 1 1 312.442 3.659 20 30 DHEDMO CN1CCCC[C@H]1CC[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933614652 1027777257 /nfs/dbraw/zinc/77/72/57/1027777257.db2.gz UTFVRKPWNLCLHW-FQEVSTJZSA-N 1 1 311.473 3.612 20 30 DHEDMO N#CCSCCC[N@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000933660678 1027791096 /nfs/dbraw/zinc/79/10/96/1027791096.db2.gz UYNRFHHCUCWYDF-SFHVURJKSA-N 1 1 314.454 3.574 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@@H+]2CC[C@H](C)CC(C)(C)C)C1=O ZINC001275881762 1027801181 /nfs/dbraw/zinc/80/11/81/1027801181.db2.gz XPVFNSZOPHXENW-QFBILLFUSA-N 1 1 306.494 3.702 20 30 DHEDMO C=CCN1CC[C@]2(CC[N@H+](CC[C@H](C)CC(C)(C)C)C2)C1=O ZINC001275880564 1027802943 /nfs/dbraw/zinc/80/29/43/1027802943.db2.gz PHMNNMLIUMIVBY-LPHOPBHVSA-N 1 1 306.494 3.559 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CC[N@H+](CC[C@@H](C)CC(C)(C)C)C2)C1=O ZINC001275888415 1027804982 /nfs/dbraw/zinc/80/49/82/1027804982.db2.gz IHKLUILVFXRBPQ-YLJYHZDGSA-N 1 1 320.521 3.949 20 30 DHEDMO C=C(C)CN1CC[C@]2(CC[N@H+](CC[C@H](C)CC(C)(C)C)C2)C1=O ZINC001275888407 1027806440 /nfs/dbraw/zinc/80/64/40/1027806440.db2.gz IHKLUILVFXRBPQ-PXNSSMCTSA-N 1 1 320.521 3.949 20 30 DHEDMO C=CCN1c2ccccc2[C@@]2(CC[N@@H+](CCC3CCCC3)C2)C1=O ZINC001275899832 1027816919 /nfs/dbraw/zinc/81/69/19/1027816919.db2.gz KCPPLJYFCXQMID-NRFANRHFSA-N 1 1 324.468 3.743 20 30 DHEDMO Cc1cccc(C)c1C[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000933763329 1027818753 /nfs/dbraw/zinc/81/87/53/1027818753.db2.gz DFURAKNRCDUHRI-UHFFFAOYSA-N 1 1 300.446 3.836 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000297575937 1027821052 /nfs/dbraw/zinc/82/10/52/1027821052.db2.gz GVMOIEUFRULLLK-INIZCTEOSA-N 1 1 319.880 3.743 20 30 DHEDMO C[N@H+]1CCCC12CCN(c1ccc(C#N)c(C(F)(F)F)c1)CC2 ZINC000364628083 1027860811 /nfs/dbraw/zinc/86/08/11/1027860811.db2.gz DMCJAWHKNXJITL-UHFFFAOYSA-N 1 1 323.362 3.642 20 30 DHEDMO N#Cc1c(F)cccc1CN1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000600847676 1027862147 /nfs/dbraw/zinc/86/21/47/1027862147.db2.gz MKHXZLPRCSJISR-QGZVFWFLSA-N 1 1 321.399 3.682 20 30 DHEDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000814179251 1027914193 /nfs/dbraw/zinc/91/41/93/1027914193.db2.gz QDIUVHBKIDCCLS-ZBFHGGJFSA-N 1 1 304.459 3.552 20 30 DHEDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000814179250 1027916816 /nfs/dbraw/zinc/91/68/16/1027916816.db2.gz QDIUVHBKIDCCLS-HOCLYGCPSA-N 1 1 304.459 3.552 20 30 DHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@]2(C#N)C[C@H]2C)c1 ZINC000448728528 1028001412 /nfs/dbraw/zinc/00/14/12/1028001412.db2.gz HESQYGPQPZIKAD-AUUYWEPGSA-N 1 1 322.412 3.543 20 30 DHEDMO C=CCCC[N@H+](CC)CC(=O)Nc1ccccc1OC(F)F ZINC000934650214 1028063352 /nfs/dbraw/zinc/06/33/52/1028063352.db2.gz HORYCXGQSZZWCY-UHFFFAOYSA-N 1 1 312.360 3.515 20 30 DHEDMO C=CCCC[N@H+](CC)CC(=O)Nc1ccccc1SCC#N ZINC000934648959 1028064542 /nfs/dbraw/zinc/06/45/42/1028064542.db2.gz YMGRIKXYXZHJER-UHFFFAOYSA-N 1 1 317.458 3.529 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC000366574518 1028099825 /nfs/dbraw/zinc/09/98/25/1028099825.db2.gz YKLAONQYYSRNLX-DNVCBOLYSA-N 1 1 321.424 3.956 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC000366574518 1028099841 /nfs/dbraw/zinc/09/98/41/1028099841.db2.gz YKLAONQYYSRNLX-DNVCBOLYSA-N 1 1 321.424 3.956 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)CCC1 ZINC000934832066 1028121750 /nfs/dbraw/zinc/12/17/50/1028121750.db2.gz NHLHVSLZQBJIHB-MSOLQXFVSA-N 1 1 304.478 3.989 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000934876316 1028135425 /nfs/dbraw/zinc/13/54/25/1028135425.db2.gz MVYVFNUSVQRWMI-QAPCUYQASA-N 1 1 315.461 3.914 20 30 DHEDMO C=C(C)c1cccc(NC(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000934882525 1028139151 /nfs/dbraw/zinc/13/91/51/1028139151.db2.gz NIUJNUQNUUCHRB-UHFFFAOYSA-N 1 1 310.401 3.574 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)on2)cc1 ZINC000367229028 1028150499 /nfs/dbraw/zinc/15/04/99/1028150499.db2.gz NWDKVYIMRJSRKI-IBGZPJMESA-N 1 1 310.397 3.722 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)cc1 ZINC000367229028 1028150506 /nfs/dbraw/zinc/15/05/06/1028150506.db2.gz NWDKVYIMRJSRKI-IBGZPJMESA-N 1 1 310.397 3.722 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)cc1 ZINC000367251648 1028153381 /nfs/dbraw/zinc/15/33/81/1028153381.db2.gz OYMMCLMGYSGOBB-ZTFGCOKTSA-N 1 1 314.429 3.509 20 30 DHEDMO C=CCCC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001134555745 1028159216 /nfs/dbraw/zinc/15/92/16/1028159216.db2.gz CPPGOZZRISWVPP-RBUKOAKNSA-N 1 1 314.473 3.727 20 30 DHEDMO CCC(=[NH+]NCc1ccc(OC)cc1)c1ccc(Cl)c(N)c1 ZINC000814811160 1028221685 /nfs/dbraw/zinc/22/16/85/1028221685.db2.gz SNGOBHMWMBYTHW-UHFFFAOYSA-N 1 1 317.820 3.835 20 30 DHEDMO Cc1cccc(CN[NH+]=C2CC(C)(C)Cc3nc(N)sc32)c1 ZINC000814873128 1028254707 /nfs/dbraw/zinc/25/47/07/1028254707.db2.gz OCKPZXKZKMBILO-UHFFFAOYSA-N 1 1 314.458 3.500 20 30 DHEDMO C[C@H]1C(N=Nc2cccc(F)n2)CCC[N@H+]1Cc1ccccc1 ZINC000814928136 1028286559 /nfs/dbraw/zinc/28/65/59/1028286559.db2.gz YDZZKAFQXLUPAP-AWEZNQCLSA-N 1 1 312.392 3.673 20 30 DHEDMO C[C@@H]1C(N=Nc2ncccc2F)CCC[N@H+]1Cc1ccccc1 ZINC000814927297 1028286660 /nfs/dbraw/zinc/28/66/60/1028286660.db2.gz GPRRBYUWNXSEJV-CQSZACIVSA-N 1 1 312.392 3.673 20 30 DHEDMO Cc1cccnc1N=NC1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000814911481 1028297386 /nfs/dbraw/zinc/29/73/86/1028297386.db2.gz KDDVAGHVHOFSBA-INIZCTEOSA-N 1 1 308.429 3.842 20 30 DHEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000564124436 1028313236 /nfs/dbraw/zinc/31/32/36/1028313236.db2.gz PWYWHAPYZCEFLM-QGZVFWFLSA-N 1 1 318.779 3.828 20 30 DHEDMO CC(C)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)N1CCCCCC1 ZINC000449079639 1028346204 /nfs/dbraw/zinc/34/62/04/1028346204.db2.gz ZPBOHXNUOXUVLO-JLAWEPINSA-N 1 1 305.510 3.949 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C)n1 ZINC000368422182 1028350700 /nfs/dbraw/zinc/35/07/00/1028350700.db2.gz LPDHSIAELDOLBR-UXHICEINSA-N 1 1 305.425 3.970 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C)n1 ZINC000368422182 1028350716 /nfs/dbraw/zinc/35/07/16/1028350716.db2.gz LPDHSIAELDOLBR-UXHICEINSA-N 1 1 305.425 3.970 20 30 DHEDMO C=C(C)CN1CCC([NH2+]Cc2cc3ccccc3cc2OC)CC1 ZINC000449121960 1028377060 /nfs/dbraw/zinc/37/70/60/1028377060.db2.gz JPNBXZLMPZVELG-UHFFFAOYSA-N 1 1 324.468 3.979 20 30 DHEDMO CCCCCCCCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000368684441 1028397979 /nfs/dbraw/zinc/39/79/79/1028397979.db2.gz UZHSKALCCIMCAK-KRWDZBQOSA-N 1 1 319.493 3.963 20 30 DHEDMO COc1cc([C@H]2CCC[N@H+]2CCCCC#N)cc(OC)c1OC ZINC000368955219 1028426580 /nfs/dbraw/zinc/42/65/80/1028426580.db2.gz SIEOZVONZQVYKL-OAHLLOKOSA-N 1 1 318.417 3.543 20 30 DHEDMO CCc1nccc([C@@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000369000129 1028434421 /nfs/dbraw/zinc/43/44/21/1028434421.db2.gz HSYPIVURMINMEO-MRXNPFEDSA-N 1 1 314.477 3.938 20 30 DHEDMO CC(C)c1nccn1[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000369032903 1028436865 /nfs/dbraw/zinc/43/68/65/1028436865.db2.gz SZEKWWYKXLDWCI-GOSISDBHSA-N 1 1 308.429 3.715 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[NH+]1CCC(OC(C)C)CC1 ZINC000779152746 1028452332 /nfs/dbraw/zinc/45/23/32/1028452332.db2.gz AAIBQRNXSQZMLC-UHFFFAOYSA-N 1 1 321.848 3.741 20 30 DHEDMO CC(=O)Nc1cccc2c1CC[N@@H+](CCCCC(C)(C)C#N)C2 ZINC000369351203 1028477404 /nfs/dbraw/zinc/47/74/04/1028477404.db2.gz AKWMQEKZPRSGGM-UHFFFAOYSA-N 1 1 313.445 3.723 20 30 DHEDMO C=CCOCC[N@H+](Cc1cc(OC)ccc1OC)C(C)(C)C ZINC000564807009 1028504886 /nfs/dbraw/zinc/50/48/86/1028504886.db2.gz QQFMHSVRVHJGRL-UHFFFAOYSA-N 1 1 307.434 3.507 20 30 DHEDMO C=CC[N@@H+](CCOC)Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449285136 1028510163 /nfs/dbraw/zinc/51/01/63/1028510163.db2.gz QAGYGUSYVWJSKX-UHFFFAOYSA-N 1 1 324.396 3.723 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449285136 1028510176 /nfs/dbraw/zinc/51/01/76/1028510176.db2.gz QAGYGUSYVWJSKX-UHFFFAOYSA-N 1 1 324.396 3.723 20 30 DHEDMO C[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)CCC#N)[C@H]1c1cccs1 ZINC000369671811 1028516403 /nfs/dbraw/zinc/51/64/03/1028516403.db2.gz JQYQOJSWEAQCKV-HOCLYGCPSA-N 1 1 305.491 3.660 20 30 DHEDMO CN1CC[C@@H](C[NH2+]CC(C)(C)CCC#N)[C@H]1c1cccs1 ZINC000369671811 1028516410 /nfs/dbraw/zinc/51/64/10/1028516410.db2.gz JQYQOJSWEAQCKV-HOCLYGCPSA-N 1 1 305.491 3.660 20 30 DHEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)o1 ZINC000565330929 1028573883 /nfs/dbraw/zinc/57/38/83/1028573883.db2.gz DCDNITDZOYLNHH-BEFAXECRSA-N 1 1 324.424 3.923 20 30 DHEDMO COc1cccc([C@@H]2C[N@H+](C[C@H](C#N)CCC#N)CC2(C)C)c1 ZINC000528619940 1028593039 /nfs/dbraw/zinc/59/30/39/1028593039.db2.gz NBYQWVRNRFSBJO-YJBOKZPZSA-N 1 1 311.429 3.564 20 30 DHEDMO COc1cccc([C@@H]2C[N@@H+](C[C@H](C#N)CCC#N)CC2(C)C)c1 ZINC000528619940 1028593048 /nfs/dbraw/zinc/59/30/48/1028593048.db2.gz NBYQWVRNRFSBJO-YJBOKZPZSA-N 1 1 311.429 3.564 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1nc(-c2ccsc2)no1 ZINC000370363933 1028594772 /nfs/dbraw/zinc/59/47/72/1028594772.db2.gz AUEVCKMNOSQHDZ-UHFFFAOYSA-N 1 1 315.398 3.622 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc(-c2ccsc2)no1 ZINC000370363933 1028594779 /nfs/dbraw/zinc/59/47/79/1028594779.db2.gz AUEVCKMNOSQHDZ-UHFFFAOYSA-N 1 1 315.398 3.622 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)cc1OC ZINC000565512564 1028596971 /nfs/dbraw/zinc/59/69/71/1028596971.db2.gz AQUUGEOSRGOOJH-SFHVURJKSA-N 1 1 301.430 3.880 20 30 DHEDMO C[C@@H]1C[C@H](c2cccs2)C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000370566785 1028618450 /nfs/dbraw/zinc/61/84/50/1028618450.db2.gz ZFXPBJXQFSKPGY-XOKHGSTOSA-N 1 1 312.438 3.531 20 30 DHEDMO C[C@@H]1CCC[C@@](CN[C@H]2CCc3ccc(C#N)cc32)([NH+](C)C)C1 ZINC000565690517 1028619642 /nfs/dbraw/zinc/61/96/42/1028619642.db2.gz WXZZYCKYNLUKCP-UIAACRFSSA-N 1 1 311.473 3.646 20 30 DHEDMO C[C@@H]1CCC[C@](CN[C@@H]2CCc3ccc(C#N)cc32)([NH+](C)C)C1 ZINC000565690519 1028620419 /nfs/dbraw/zinc/62/04/19/1028620419.db2.gz WXZZYCKYNLUKCP-YSGRDPCXSA-N 1 1 311.473 3.646 20 30 DHEDMO C=CCCC[N@@H+](C)Cn1c(CCC2CCCC2)n[nH]c1=S ZINC000076665082 1028688581 /nfs/dbraw/zinc/68/85/81/1028688581.db2.gz LLYKJLAMSFAJNP-UHFFFAOYSA-N 1 1 308.495 3.919 20 30 DHEDMO C=CCCC[N@H+](C)Cn1c(CCC2CCCC2)n[nH]c1=S ZINC000076665082 1028688590 /nfs/dbraw/zinc/68/85/90/1028688590.db2.gz LLYKJLAMSFAJNP-UHFFFAOYSA-N 1 1 308.495 3.919 20 30 DHEDMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](CCCCC#N)C[C@@H](C)C2 ZINC000371363038 1028696088 /nfs/dbraw/zinc/69/60/88/1028696088.db2.gz ZAOZEECNMNMLDG-GJZGRUSLSA-N 1 1 316.445 3.953 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OCC)[C@@H](C)C2)cc1OC ZINC000449489753 1028699006 /nfs/dbraw/zinc/69/90/06/1028699006.db2.gz AXVDQJLNNNNHIN-RDJZCZTQSA-N 1 1 319.445 3.507 20 30 DHEDMO CCc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000566301401 1028699350 /nfs/dbraw/zinc/69/93/50/1028699350.db2.gz LXFTYKVAWXWPQA-UHFFFAOYSA-N 1 1 309.369 3.661 20 30 DHEDMO CCc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000566301401 1028699356 /nfs/dbraw/zinc/69/93/56/1028699356.db2.gz LXFTYKVAWXWPQA-UHFFFAOYSA-N 1 1 309.369 3.661 20 30 DHEDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000371478687 1028722611 /nfs/dbraw/zinc/72/26/11/1028722611.db2.gz YUSKNSZRFOTFSB-MOPGFXCFSA-N 1 1 322.408 3.673 20 30 DHEDMO Cc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)n1 ZINC000372346737 1028844763 /nfs/dbraw/zinc/84/47/63/1028844763.db2.gz KWEYRUQGYVKIFA-UHFFFAOYSA-N 1 1 303.409 3.859 20 30 DHEDMO C#CCOc1ccc(C[NH2+]Cc2ncoc2-c2ccccc2)cc1 ZINC000372789681 1028901203 /nfs/dbraw/zinc/90/12/03/1028901203.db2.gz WIHOSUGFKPILPV-UHFFFAOYSA-N 1 1 318.376 3.643 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000121757861 1028921870 /nfs/dbraw/zinc/92/18/70/1028921870.db2.gz RRDSTJZACLFKGI-OXJNMPFZSA-N 1 1 306.409 3.867 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H]2CCOC[C@@H]2C)cc1 ZINC001170831260 1028933817 /nfs/dbraw/zinc/93/38/17/1028933817.db2.gz MASAUEVZUWRVIF-ZYSHUDEJSA-N 1 1 300.446 3.846 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3cc(Cl)c(F)cc3O)CC2)c1 ZINC000816558145 1028940783 /nfs/dbraw/zinc/94/07/83/1028940783.db2.gz OJLXCSYLBYWFKO-UHFFFAOYSA-N 1 1 316.763 3.835 20 30 DHEDMO C#CCOc1ccccc1C[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000816621661 1028967724 /nfs/dbraw/zinc/96/77/24/1028967724.db2.gz MWIPXABOAHULQT-LJQANCHMSA-N 1 1 306.409 3.677 20 30 DHEDMO C#CCOc1ccccc1C[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000816621661 1028967736 /nfs/dbraw/zinc/96/77/36/1028967736.db2.gz MWIPXABOAHULQT-LJQANCHMSA-N 1 1 306.409 3.677 20 30 DHEDMO CC(C)[C@H]1[N@@H+](Cc2cnc3ccc(C#N)cn23)CC12CCCC2 ZINC000449793414 1029015532 /nfs/dbraw/zinc/01/55/32/1029015532.db2.gz WSRCZZSPIGVVKT-GOSISDBHSA-N 1 1 308.429 3.607 20 30 DHEDMO C=CCCC[N@H+](C)CCCC(=O)Nc1ccccc1C(C)=O ZINC000568164941 1029018519 /nfs/dbraw/zinc/01/85/19/1029018519.db2.gz DGBBKXHAQVCTCI-UHFFFAOYSA-N 1 1 302.418 3.506 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3OC)nc2)C1 ZINC000628406931 1029043340 /nfs/dbraw/zinc/04/33/40/1029043340.db2.gz VEXRIOIVJRNHMA-OAHLLOKOSA-N 1 1 309.413 3.550 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C)c(O)c(C)c1 ZINC000568444958 1029069037 /nfs/dbraw/zinc/06/90/37/1029069037.db2.gz HRPYXCJGPJRZJU-UHFFFAOYSA-N 1 1 315.413 3.673 20 30 DHEDMO C[N@@H+](CCC1(C#N)CCCCC1)Cc1ccc([S@@](C)=O)cc1 ZINC000411335596 1029106009 /nfs/dbraw/zinc/10/60/09/1029106009.db2.gz RDTUOASLAFNNMG-JOCHJYFZSA-N 1 1 318.486 3.720 20 30 DHEDMO C=CC(C)(C)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000450008064 1029138053 /nfs/dbraw/zinc/13/80/53/1029138053.db2.gz DYBPYFIIXPYUPS-HNNXBMFYSA-N 1 1 316.445 3.558 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)Cc1nc(-c2ccsc2)oc1C ZINC000411646987 1029175276 /nfs/dbraw/zinc/17/52/76/1029175276.db2.gz WYWVYELCHHBRPJ-UHFFFAOYSA-N 1 1 319.474 3.651 20 30 DHEDMO N#CC1(CC[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)CCCCC1 ZINC000411743312 1029196174 /nfs/dbraw/zinc/19/61/74/1029196174.db2.gz IIVXRYBIULLLAU-OAHLLOKOSA-N 1 1 306.841 3.647 20 30 DHEDMO N#CC1(CC[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CCCCC1 ZINC000411746447 1029197380 /nfs/dbraw/zinc/19/73/80/1029197380.db2.gz OGPWBRZGNKNVOL-DLBZAZTESA-N 1 1 302.462 3.884 20 30 DHEDMO N#CC1(CC[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CCCCC1 ZINC000411746450 1029197956 /nfs/dbraw/zinc/19/79/56/1029197956.db2.gz OGPWBRZGNKNVOL-IRXDYDNUSA-N 1 1 302.462 3.884 20 30 DHEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(CCC2(C#N)CCCCC2)C[C@@H](C)C1 ZINC000411762620 1029202320 /nfs/dbraw/zinc/20/23/20/1029202320.db2.gz XKBGNKAUNMYBKX-KURKYZTESA-N 1 1 303.494 3.513 20 30 DHEDMO C[C@@H]1C[C@@H]1N1CC[N@H+](CCC2(C#N)CCCCC2)C[C@@H](C)C1 ZINC000411762620 1029202338 /nfs/dbraw/zinc/20/23/38/1029202338.db2.gz XKBGNKAUNMYBKX-KURKYZTESA-N 1 1 303.494 3.513 20 30 DHEDMO C[C@@H]1C[C@@H]1N1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@@H](C)C1 ZINC000411762620 1029202352 /nfs/dbraw/zinc/20/23/52/1029202352.db2.gz XKBGNKAUNMYBKX-KURKYZTESA-N 1 1 303.494 3.513 20 30 DHEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CCCCC1 ZINC000628966321 1029202223 /nfs/dbraw/zinc/20/22/23/1029202223.db2.gz OMQFOVZNHYACID-KRWDZBQOSA-N 1 1 304.478 3.646 20 30 DHEDMO COCC[N@@H+](CCC1(C#N)CCCCC1)[C@H]1CCCSC1 ZINC000411761688 1029202812 /nfs/dbraw/zinc/20/28/12/1029202812.db2.gz VGDNDEUPGKWIKC-INIZCTEOSA-N 1 1 310.507 3.695 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000411796224 1029210371 /nfs/dbraw/zinc/21/03/71/1029210371.db2.gz VQSANMPKRJFSRR-TZMCWYRMSA-N 1 1 307.235 3.931 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000569307759 1029217149 /nfs/dbraw/zinc/21/71/49/1029217149.db2.gz VYJJEGVZTJREGW-KRWDZBQOSA-N 1 1 316.445 3.763 20 30 DHEDMO CC[C@H](C)[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000155480438 1029237692 /nfs/dbraw/zinc/23/76/92/1029237692.db2.gz SZGAONYSHMUEMV-JXFKEZNVSA-N 1 1 308.425 3.892 20 30 DHEDMO COc1cc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)ccc1C#N ZINC000374210435 1029239843 /nfs/dbraw/zinc/23/98/43/1029239843.db2.gz LASCOLXJEKWVMA-UHFFFAOYSA-N 1 1 320.392 3.562 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c(Cl)c1 ZINC000411926002 1029247495 /nfs/dbraw/zinc/24/74/95/1029247495.db2.gz OLXHZWSUUACMQV-WMZOPIPTSA-N 1 1 312.800 3.520 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c(Cl)c1 ZINC000411926002 1029247502 /nfs/dbraw/zinc/24/75/02/1029247502.db2.gz OLXHZWSUUACMQV-WMZOPIPTSA-N 1 1 312.800 3.520 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000374256896 1029262147 /nfs/dbraw/zinc/26/21/47/1029262147.db2.gz BLDFCPXGWFBNRA-OXJNMPFZSA-N 1 1 322.408 3.631 20 30 DHEDMO Cn1cc([C@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)c2ccccc21 ZINC000374267544 1029266201 /nfs/dbraw/zinc/26/62/01/1029266201.db2.gz AEBCTPQAZLOIDT-AWEZNQCLSA-N 1 1 305.381 3.632 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)NCCC[NH2+]C2CC2)cc1 ZINC000817984215 1029319881 /nfs/dbraw/zinc/31/98/81/1029319881.db2.gz OSHZAEIVQGQBEA-AWEZNQCLSA-N 1 1 308.853 3.611 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000218682767 1029324448 /nfs/dbraw/zinc/32/44/48/1029324448.db2.gz HTVCGXSEYKZNAJ-LSDHHAIUSA-N 1 1 314.429 3.897 20 30 DHEDMO N#Cc1c(NCc2c[nH+]c3n2CCCC3)cccc1C(F)F ZINC000570867808 1029432444 /nfs/dbraw/zinc/43/24/44/1029432444.db2.gz UVZNKOSVFDEPNG-UHFFFAOYSA-N 1 1 302.328 3.641 20 30 DHEDMO C[C@@H]([NH2+]Cc1ncc[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374691870 1029434156 /nfs/dbraw/zinc/43/41/56/1029434156.db2.gz FEVAQMWINFFUSB-CQSZACIVSA-N 1 1 302.381 3.799 20 30 DHEDMO N#CC1(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000450456760 1029488342 /nfs/dbraw/zinc/48/83/42/1029488342.db2.gz UIYWQHJZWNOXBH-NRFANRHFSA-N 1 1 323.484 3.668 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000121076717 1029493188 /nfs/dbraw/zinc/49/31/88/1029493188.db2.gz IALQEKXKALHTGY-GJZGRUSLSA-N 1 1 306.475 3.698 20 30 DHEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CCC2)ccc1OC(C)C ZINC000450663315 1029602141 /nfs/dbraw/zinc/60/21/41/1029602141.db2.gz KZVLNVUDBFYBNK-AWEZNQCLSA-N 1 1 302.418 3.827 20 30 DHEDMO C[N@@H+](CC1(C#N)CCC1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000450748175 1029634159 /nfs/dbraw/zinc/63/41/59/1029634159.db2.gz VWFQTRBCDWOWSE-IAGOWNOFSA-N 1 1 302.393 3.671 20 30 DHEDMO C=CCOCCC[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451016904 1029768396 /nfs/dbraw/zinc/76/83/96/1029768396.db2.gz JAZNYDXUVJVRJL-INIZCTEOSA-N 1 1 319.836 3.946 20 30 DHEDMO CN(C)c1[nH+]cc(/C=C/C(=O)c2ccc3ccccc3c2)n1C ZINC000821022274 1029800498 /nfs/dbraw/zinc/80/04/98/1029800498.db2.gz QDOFIKANOVRTLG-ZHACJKMWSA-N 1 1 305.381 3.535 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)C1CC(OCc2ccccc2)C1 ZINC000821343176 1029830626 /nfs/dbraw/zinc/83/06/26/1029830626.db2.gz UTQDQAOGUULFGY-UHFFFAOYSA-N 1 1 306.409 3.738 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451281466 1029835805 /nfs/dbraw/zinc/83/58/05/1029835805.db2.gz JNKYFTYDGKDNPV-PKOBYXMFSA-N 1 1 318.436 3.506 20 30 DHEDMO CC(C)C[C@@]1(C)CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000451289505 1029839219 /nfs/dbraw/zinc/83/92/19/1029839219.db2.gz JVMZAGYCWUHIDD-QGZVFWFLSA-N 1 1 319.474 3.849 20 30 DHEDMO O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000451337126 1029851194 /nfs/dbraw/zinc/85/11/94/1029851194.db2.gz FWLQMJUNMCKACZ-GUDVDZBRSA-N 1 1 317.860 3.707 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451357746 1029855063 /nfs/dbraw/zinc/85/50/63/1029855063.db2.gz UGGWFZPCXFJBMH-BDJLRTHQSA-N 1 1 305.784 3.963 20 30 DHEDMO C#C[C@H](OC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000821612898 1029861229 /nfs/dbraw/zinc/86/12/29/1029861229.db2.gz NITJAKHOHGEIIJ-UXHICEINSA-N 1 1 319.404 3.569 20 30 DHEDMO C#C[C@H](OC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000821612898 1029861232 /nfs/dbraw/zinc/86/12/32/1029861232.db2.gz NITJAKHOHGEIIJ-UXHICEINSA-N 1 1 319.404 3.569 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000451409080 1029864046 /nfs/dbraw/zinc/86/40/46/1029864046.db2.gz PNYNLFSONAMGKR-BXUZGUMPSA-N 1 1 312.335 3.730 20 30 DHEDMO COc1ccc([C@@H]2C[C@H](C)C[N@H+]2CCCSCC#N)cc1 ZINC000121853931 1029865825 /nfs/dbraw/zinc/86/58/25/1029865825.db2.gz DIKHZQUXTUBABK-YOEHRIQHSA-N 1 1 304.459 3.725 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000451413470 1029870263 /nfs/dbraw/zinc/87/02/63/1029870263.db2.gz YPDFDAQGQLJABG-BXUZGUMPSA-N 1 1 312.335 3.730 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@](C)(CC)C1 ZINC000468126588 1029979791 /nfs/dbraw/zinc/97/97/91/1029979791.db2.gz LADXPRSPGTWUGB-YJBOKZPZSA-N 1 1 320.502 3.773 20 30 DHEDMO N#CC1(CCC[N@H+]2CCCc3ccccc3CC2)CCOCC1 ZINC000451717647 1029985882 /nfs/dbraw/zinc/98/58/82/1029985882.db2.gz OHNITHWOZNCSAE-UHFFFAOYSA-N 1 1 312.457 3.578 20 30 DHEDMO COC(=O)c1ccc(C(=[NH2+])Nc2cc(C)cc3ccccc32)cc1 ZINC001170988883 1030049357 /nfs/dbraw/zinc/04/93/57/1030049357.db2.gz GDZOCJQSESVXEE-UHFFFAOYSA-N 1 1 318.376 3.972 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc3occc3c2)C1=O ZINC001275549459 1030094964 /nfs/dbraw/zinc/09/49/64/1030094964.db2.gz VAGXPLNRTKWDSC-FQEVSTJZSA-N 1 1 324.424 3.576 20 30 DHEDMO CCCCCCCCC[N@@H+](C)CN1CCC2(CCOCC2)C1=O ZINC000777523415 1030095224 /nfs/dbraw/zinc/09/52/24/1030095224.db2.gz FCIGEXQUPZCVNC-UHFFFAOYSA-N 1 1 324.509 3.655 20 30 DHEDMO N#CCCC[C@H]([NH3+])c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000822696428 1030102320 /nfs/dbraw/zinc/10/23/20/1030102320.db2.gz OBAIALHZIBVJBP-NSHDSACASA-N 1 1 311.172 3.737 20 30 DHEDMO CSc1ccc(-c2noc([C@H]([NH3+])CCCC#N)n2)c(Cl)c1 ZINC000822855393 1030130473 /nfs/dbraw/zinc/13/04/73/1030130473.db2.gz FRABVIQTMCFJPS-GFCCVEGCSA-N 1 1 322.821 3.806 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000533147987 1030164421 /nfs/dbraw/zinc/16/44/21/1030164421.db2.gz JGFUDGVCXSIQHG-JKSUJKDBSA-N 1 1 323.864 3.758 20 30 DHEDMO C#CC[N@@H+](Cc1cc2cccnc2o1)[C@@H]1CCc2ccccc21 ZINC000823371938 1030267587 /nfs/dbraw/zinc/26/75/87/1030267587.db2.gz PZYUIADWEGAEGC-LJQANCHMSA-N 1 1 302.377 3.951 20 30 DHEDMO C#CC[N@H+]1CCCN(C(=O)/C=C/CCCCCCCCC)CC1 ZINC001136863161 1030532071 /nfs/dbraw/zinc/53/20/71/1030532071.db2.gz QUWCYAWCGJHRNO-WYMLVPIESA-N 1 1 318.505 3.851 20 30 DHEDMO C#CC[N@@H+]1CCCN(C(=O)/C=C/CCCCCCCCC)CC1 ZINC001136863161 1030532077 /nfs/dbraw/zinc/53/20/77/1030532077.db2.gz QUWCYAWCGJHRNO-WYMLVPIESA-N 1 1 318.505 3.851 20 30 DHEDMO CC1(C)CC(N=Nc2ncccc2F)C[N@H+]1Cc1ccccc1 ZINC000794993727 1030541018 /nfs/dbraw/zinc/54/10/18/1030541018.db2.gz PQPPTMSRTRRCQZ-UHFFFAOYSA-N 1 1 312.392 3.673 20 30 DHEDMO C[C@H](NCc1ccc(C[NH+](C)C)cc1)c1ccc(C#N)cc1F ZINC000358579533 1030545087 /nfs/dbraw/zinc/54/50/87/1030545087.db2.gz WPIYBWFUJUFIJF-AWEZNQCLSA-N 1 1 311.404 3.610 20 30 DHEDMO Cc1ccccc1CC[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000824554232 1030580280 /nfs/dbraw/zinc/58/02/80/1030580280.db2.gz CPXLTEYQXNVYLX-QGZVFWFLSA-N 1 1 308.425 3.960 20 30 DHEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C)s1 ZINC001275614323 1030604137 /nfs/dbraw/zinc/60/41/37/1030604137.db2.gz GVXOGTTULISXPE-GOSISDBHSA-N 1 1 318.486 3.590 20 30 DHEDMO Cc1ccc2ncc(C#N)c(N3CCC(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000291741531 1030625838 /nfs/dbraw/zinc/62/58/38/1030625838.db2.gz YSZZZZXAIFFVBU-UHFFFAOYSA-N 1 1 317.396 3.522 20 30 DHEDMO Cc1ccc2c(C[N@H+]3CCc4cc(C#N)ccc4C3)c[nH]c2c1 ZINC001136969078 1030671381 /nfs/dbraw/zinc/67/13/81/1030671381.db2.gz CEFMRIQKCFJDEJ-UHFFFAOYSA-N 1 1 301.393 3.906 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000247235716 1030683588 /nfs/dbraw/zinc/68/35/88/1030683588.db2.gz SMQONQLULQNDEO-LSDHHAIUSA-N 1 1 306.475 3.966 20 30 DHEDMO COC(=O)C(C)(C)[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000614964094 1030882969 /nfs/dbraw/zinc/88/29/69/1030882969.db2.gz XLDQRBMRSFJIEO-YOEHRIQHSA-N 1 1 314.429 3.530 20 30 DHEDMO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001143726099 1030933940 /nfs/dbraw/zinc/93/39/40/1030933940.db2.gz GDOXOJUIFHHWQS-INIZCTEOSA-N 1 1 311.816 3.814 20 30 DHEDMO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001143726099 1030933955 /nfs/dbraw/zinc/93/39/55/1030933955.db2.gz GDOXOJUIFHHWQS-INIZCTEOSA-N 1 1 311.816 3.814 20 30 DHEDMO N#Cc1cccc(Cl)c1C[NH+]1CCC2(CCOCC2)CC1 ZINC001143730823 1030936784 /nfs/dbraw/zinc/93/67/84/1030936784.db2.gz BXBNJKPZKHKVDO-UHFFFAOYSA-N 1 1 304.821 3.604 20 30 DHEDMO C=CCC1(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CCC1 ZINC000253278159 1030963674 /nfs/dbraw/zinc/96/36/74/1030963674.db2.gz NRPFQBOTFJFAKS-QZTJIDSGSA-N 1 1 318.505 3.846 20 30 DHEDMO CC[C@H]([NH2+]Cc1nccc2c1CCCC2)c1cccc(C#N)c1O ZINC000926883226 1030966822 /nfs/dbraw/zinc/96/68/22/1030966822.db2.gz MDZIWNCLHNBJBW-SFHVURJKSA-N 1 1 321.424 3.779 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001143791184 1030973084 /nfs/dbraw/zinc/97/30/84/1030973084.db2.gz FLYDRWBLMOHSHS-NSHDSACASA-N 1 1 316.298 3.850 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001143791184 1030973095 /nfs/dbraw/zinc/97/30/95/1030973095.db2.gz FLYDRWBLMOHSHS-NSHDSACASA-N 1 1 316.298 3.850 20 30 DHEDMO CCCOc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC000844368499 1031092356 /nfs/dbraw/zinc/09/23/56/1031092356.db2.gz XZYGCKPTVHHXCK-HXUWFJFHSA-N 1 1 324.424 3.512 20 30 DHEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)[C@@H]1CCCc2ccc(F)cc21 ZINC000844365094 1031092875 /nfs/dbraw/zinc/09/28/75/1031092875.db2.gz AJFQCOZCCNVXCD-WOJBJXKFSA-N 1 1 324.399 3.740 20 30 DHEDMO N#Cc1cncc(C[NH+]2CCC(c3ccc(F)cc3F)CC2)c1 ZINC001144085808 1031221574 /nfs/dbraw/zinc/22/15/74/1031221574.db2.gz HWUPDFJLOLXHEF-UHFFFAOYSA-N 1 1 313.351 3.611 20 30 DHEDMO Cc1cc(C2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)n[nH]1 ZINC000272982585 1031274726 /nfs/dbraw/zinc/27/47/26/1031274726.db2.gz QNEFCTMYHJTFAM-UHFFFAOYSA-N 1 1 313.832 3.603 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(-n3cccc3)cc1)C2 ZINC001144238514 1031340936 /nfs/dbraw/zinc/34/09/36/1031340936.db2.gz ALXBGIJCBAYMCY-UHFFFAOYSA-N 1 1 313.404 3.907 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCSC(C)(C)C2)ccc1OC ZINC000536668251 1031375683 /nfs/dbraw/zinc/37/56/83/1031375683.db2.gz QONWCIVKPGHPLD-UHFFFAOYSA-N 1 1 321.486 3.978 20 30 DHEDMO CC(F)(F)CCC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000929110754 1031433244 /nfs/dbraw/zinc/43/32/44/1031433244.db2.gz IBZRTWWYIPIKLW-UHFFFAOYSA-N 1 1 321.415 3.501 20 30 DHEDMO C=CCn1cc(C[NH2+][C@@H]2CC(C)(C)Sc3ccccc32)nn1 ZINC000872079006 1031473617 /nfs/dbraw/zinc/47/36/17/1031473617.db2.gz GHCYJONCEDDQSC-OAHLLOKOSA-N 1 1 314.458 3.569 20 30 DHEDMO N#CC1(CCCCN2CC[NH+](Cc3cccs3)CC2)CCC1 ZINC000929236976 1031475717 /nfs/dbraw/zinc/47/57/17/1031475717.db2.gz OMZQIAWGMYFALX-UHFFFAOYSA-N 1 1 317.502 3.730 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2cncc(C#N)c2)[C@@H](C)C2CC2)cc1 ZINC000929332459 1031495592 /nfs/dbraw/zinc/49/55/92/1031495592.db2.gz QAXTVHOKHPAAFF-HNNXBMFYSA-N 1 1 321.424 3.763 20 30 DHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCC(C#N)CC1 ZINC000929366150 1031503021 /nfs/dbraw/zinc/50/30/21/1031503021.db2.gz XPUFTRPGEZJANG-UHFFFAOYSA-N 1 1 313.401 3.913 20 30 DHEDMO N#Cc1ccc(C[N@H+](C[C@H]2CC[C@@H](C(F)(F)F)O2)C2CC2)cc1 ZINC000929368009 1031503634 /nfs/dbraw/zinc/50/36/34/1031503634.db2.gz UGZJTUCIZOXEML-CVEARBPZSA-N 1 1 324.346 3.633 20 30 DHEDMO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000360663456 1031510864 /nfs/dbraw/zinc/51/08/64/1031510864.db2.gz JQVNHHANLGFWGK-NLWGTHIKSA-N 1 1 311.473 3.788 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360704526 1031528134 /nfs/dbraw/zinc/52/81/34/1031528134.db2.gz RWSYEMDOBPCLRO-UHFFFAOYSA-N 1 1 304.393 3.614 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360704526 1031528144 /nfs/dbraw/zinc/52/81/44/1031528144.db2.gz RWSYEMDOBPCLRO-UHFFFAOYSA-N 1 1 304.393 3.614 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1c[nH]c3nc(Cl)ccc13)CC2 ZINC001144410107 1031536016 /nfs/dbraw/zinc/53/60/16/1031536016.db2.gz DMWMXNBHGNOWKI-UHFFFAOYSA-N 1 1 322.799 3.646 20 30 DHEDMO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1N(C)C)c1ccc(C#N)cc1 ZINC000360759079 1031550622 /nfs/dbraw/zinc/55/06/22/1031550622.db2.gz MHYZVKBDKSWCFJ-RVHYNSKXSA-N 1 1 319.452 3.827 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)cc1F ZINC000872258953 1031562318 /nfs/dbraw/zinc/56/23/18/1031562318.db2.gz HIMNKDPLRFTVAV-QGZVFWFLSA-N 1 1 302.393 3.621 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000360828764 1031579066 /nfs/dbraw/zinc/57/90/66/1031579066.db2.gz AHSDZUYCNOEMOR-NSHGMRRFSA-N 1 1 309.457 3.542 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360828764 1031579077 /nfs/dbraw/zinc/57/90/77/1031579077.db2.gz AHSDZUYCNOEMOR-NSHGMRRFSA-N 1 1 309.457 3.542 20 30 DHEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000929709176 1031586105 /nfs/dbraw/zinc/58/61/05/1031586105.db2.gz KXAWQMLXQIHJFK-XTUQQUOLSA-N 1 1 316.420 3.917 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CC(N2CCCCC2)C1 ZINC000360872101 1031595984 /nfs/dbraw/zinc/59/59/84/1031595984.db2.gz LVHGTTPEGUZZFQ-GZNCHQMQSA-N 1 1 323.484 3.932 20 30 DHEDMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CCCCC1(C#N)CCC1 ZINC000929766506 1031601673 /nfs/dbraw/zinc/60/16/73/1031601673.db2.gz NMCLKJOTKFNAQU-MSOLQXFVSA-N 1 1 319.493 3.572 20 30 DHEDMO CC[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)[C@@H](CC)CN1C(C)=O ZINC000929766508 1031602481 /nfs/dbraw/zinc/60/24/81/1031602481.db2.gz NMCLKJOTKFNAQU-ROUUACIJSA-N 1 1 319.493 3.572 20 30 DHEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929772470 1031602655 /nfs/dbraw/zinc/60/26/55/1031602655.db2.gz PGPLOZKLTBBBNF-LTLHMFDMSA-N 1 1 318.486 3.747 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000929806474 1031614564 /nfs/dbraw/zinc/61/45/64/1031614564.db2.gz BBNFCRBCHBJMDA-BACDZXNISA-N 1 1 318.486 3.966 20 30 DHEDMO C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@@H](c2ccsc2)O1 ZINC000929830723 1031618483 /nfs/dbraw/zinc/61/84/83/1031618483.db2.gz ARJYCMAGBXXPCN-GIOUXUJVSA-N 1 1 304.459 3.840 20 30 DHEDMO Cn1c2ccccc2nc1C[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000930016429 1031677097 /nfs/dbraw/zinc/67/70/97/1031677097.db2.gz SHMJKJULWKXWDW-UHFFFAOYSA-N 1 1 310.445 3.869 20 30 DHEDMO N#CCC1CC[NH+](Cc2cccc(F)c2Br)CC1 ZINC000397215425 1031684092 /nfs/dbraw/zinc/68/40/92/1031684092.db2.gz GMLBHBOJFLOOJV-UHFFFAOYSA-N 1 1 311.198 3.714 20 30 DHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000873049631 1031698411 /nfs/dbraw/zinc/69/84/11/1031698411.db2.gz CRCBQIQUOBJLIR-MRXNPFEDSA-N 1 1 323.371 3.668 20 30 DHEDMO COc1cccc2cc(C[NH2+]Cc3ccc(C#N)cc3F)oc21 ZINC000729854934 1031703447 /nfs/dbraw/zinc/70/34/47/1031703447.db2.gz JQBMKWJCRMJZHQ-UHFFFAOYSA-N 1 1 310.328 3.742 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001144580504 1031719302 /nfs/dbraw/zinc/71/93/02/1031719302.db2.gz FCNLNCFDRLFRNB-NRFANRHFSA-N 1 1 316.404 3.583 20 30 DHEDMO C=CCN(CC=C)[C@H](C[NH2+][C@@H](C)c1csc(C)n1)C(C)C ZINC000361098561 1031726296 /nfs/dbraw/zinc/72/62/96/1031726296.db2.gz UEJKHYYXGNRRML-WMLDXEAASA-N 1 1 307.507 3.801 20 30 DHEDMO Cc1cc(C#N)nc(Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000561136548 1031744519 /nfs/dbraw/zinc/74/45/19/1031744519.db2.gz COEUNXOEDIRIQY-HNNXBMFYSA-N 1 1 321.428 3.775 20 30 DHEDMO N#CC1CCC(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)CC1 ZINC000930512608 1031855159 /nfs/dbraw/zinc/85/51/59/1031855159.db2.gz GGAVJEABTPYZDR-LBXVMSDZSA-N 1 1 310.441 3.786 20 30 DHEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000846109258 1031859686 /nfs/dbraw/zinc/85/96/86/1031859686.db2.gz UDZKVJNVBUXKQD-KRWDZBQOSA-N 1 1 320.383 3.990 20 30 DHEDMO N#CC1CCC(C[N@@H+]2Cc3cnn(-c4ccccc4)c3C2)CC1 ZINC000930590220 1031881508 /nfs/dbraw/zinc/88/15/08/1031881508.db2.gz PSWVBJWIABDQMF-UHFFFAOYSA-N 1 1 306.413 3.518 20 30 DHEDMO N#CC1CCC(C[N@H+]2Cc3cnn(-c4ccccc4)c3C2)CC1 ZINC000930590220 1031881520 /nfs/dbraw/zinc/88/15/20/1031881520.db2.gz PSWVBJWIABDQMF-UHFFFAOYSA-N 1 1 306.413 3.518 20 30 DHEDMO C[N@@H+](CC1CCC(C#N)CC1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000930609213 1031886249 /nfs/dbraw/zinc/88/62/49/1031886249.db2.gz DAEJXVRXLJYQIB-KVULBXGLSA-N 1 1 306.837 3.635 20 30 DHEDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000930752299 1031938140 /nfs/dbraw/zinc/93/81/40/1031938140.db2.gz JCSBPDXIHXAZJI-LJQANCHMSA-N 1 1 309.388 3.690 20 30 DHEDMO C=CCCCCCCCCC(=O)N[C@H]1C[C@H]2CC[N@@H+](C1)[C@H]2C ZINC001144798536 1031971868 /nfs/dbraw/zinc/97/18/68/1031971868.db2.gz USFXOPURRNWUGG-KSZLIROESA-N 1 1 306.494 3.892 20 30 DHEDMO COc1cccc(C[N@@H+](C)[C@H](C)Cc2cccc(C#N)c2)c1OC ZINC001171229722 1031991978 /nfs/dbraw/zinc/99/19/78/1031991978.db2.gz QKXAGTRYCFUZKL-OAHLLOKOSA-N 1 1 324.424 3.638 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(F)cc1F ZINC001171230692 1031994014 /nfs/dbraw/zinc/99/40/14/1031994014.db2.gz XNEDROSTYOEUFB-ZDUSSCGKSA-N 1 1 300.352 3.899 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001171231207 1031996849 /nfs/dbraw/zinc/99/68/49/1031996849.db2.gz IAVQGABPKBNXRO-OXQOHEQNSA-N 1 1 318.420 3.694 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001171230734 1031998081 /nfs/dbraw/zinc/99/80/81/1031998081.db2.gz GJKZIBAKTDHYNW-YWZLYKJASA-N 1 1 324.399 3.702 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001171230734 1031998090 /nfs/dbraw/zinc/99/80/90/1031998090.db2.gz GJKZIBAKTDHYNW-YWZLYKJASA-N 1 1 324.399 3.702 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000361645804 1032036536 /nfs/dbraw/zinc/03/65/36/1032036536.db2.gz FMAZFIIKXMHFTR-UHFFFAOYSA-N 1 1 312.413 3.817 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001171249899 1032046096 /nfs/dbraw/zinc/04/60/96/1032046096.db2.gz RDFKLFBYZWSMMN-JKSUJKDBSA-N 1 1 308.466 3.674 20 30 DHEDMO Oc1ccc2ccccc2c1/C=N/[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000846756698 1032049630 /nfs/dbraw/zinc/04/96/30/1032049630.db2.gz KQYCXUZLJSCDAZ-ZIPUBWIGSA-N 1 1 308.425 3.981 20 30 DHEDMO N#Cc1cncc(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000931161234 1032056379 /nfs/dbraw/zinc/05/63/79/1032056379.db2.gz TZMNZNXVGZEMIN-MRXNPFEDSA-N 1 1 313.351 3.611 20 30 DHEDMO C#CC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C1 ZINC001172648828 1033301550 /nfs/dbraw/zinc/30/15/50/1033301550.db2.gz JTWSHRUYYUVVJD-HZPDHXFCSA-N 1 1 308.466 3.510 20 30 DHEDMO N#Cc1ccc(C2([NH2+]Cc3nc(Cl)cs3)CCC2)cc1 ZINC000877619047 1033385085 /nfs/dbraw/zinc/38/50/85/1033385085.db2.gz MMUSYDWGKNDHCT-UHFFFAOYSA-N 1 1 303.818 3.837 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc(C(F)F)nc1 ZINC000877705314 1033417882 /nfs/dbraw/zinc/41/78/82/1033417882.db2.gz ZMIABKJYYBNXQL-UHFFFAOYSA-N 1 1 301.340 3.565 20 30 DHEDMO CCCC[N@@H+](CCC#N)[C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172964703 1033486001 /nfs/dbraw/zinc/48/60/01/1033486001.db2.gz QGSKRDZRRCEEMG-HNNXBMFYSA-N 1 1 311.470 3.648 20 30 DHEDMO CCCC[N@@H+](CCC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172986491 1033490715 /nfs/dbraw/zinc/49/07/15/1033490715.db2.gz XAQOJJUKCPNKJM-CVEARBPZSA-N 1 1 323.481 3.790 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000877906273 1033508913 /nfs/dbraw/zinc/50/89/13/1033508913.db2.gz MIDOQGNMQVJFSP-FQEVSTJZSA-N 1 1 324.399 3.698 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000877906273 1033508915 /nfs/dbraw/zinc/50/89/15/1033508915.db2.gz MIDOQGNMQVJFSP-FQEVSTJZSA-N 1 1 324.399 3.698 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000877953363 1033529305 /nfs/dbraw/zinc/52/93/05/1033529305.db2.gz LKMZDBQJONTMJE-HNAYVOBHSA-N 1 1 300.446 3.793 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]([C@@H](C)C1CC1)C1CC1)c1ccccc1 ZINC000877966875 1033534555 /nfs/dbraw/zinc/53/45/55/1033534555.db2.gz YHJJMUGLPAKIMA-MGPUTAFESA-N 1 1 310.441 3.690 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@@H](C)c1ccco1)c1ccccc1 ZINC000878002641 1033548726 /nfs/dbraw/zinc/54/87/26/1033548726.db2.gz GKSLRYSFQGIRAZ-KXBFYZLASA-N 1 1 310.397 3.713 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@@H](C)c1ccco1)c1ccccc1 ZINC000878002641 1033548739 /nfs/dbraw/zinc/54/87/39/1033548739.db2.gz GKSLRYSFQGIRAZ-KXBFYZLASA-N 1 1 310.397 3.713 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+](C)[C@H](C)c1ccco1)c1ccccc1 ZINC000878002638 1033548958 /nfs/dbraw/zinc/54/89/58/1033548958.db2.gz GKSLRYSFQGIRAZ-BEFAXECRSA-N 1 1 310.397 3.713 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@H](C)c1ccco1)c1ccccc1 ZINC000878002638 1033548972 /nfs/dbraw/zinc/54/89/72/1033548972.db2.gz GKSLRYSFQGIRAZ-BEFAXECRSA-N 1 1 310.397 3.713 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H]1CC(C)C)c1ccccc1 ZINC000878020104 1033556756 /nfs/dbraw/zinc/55/67/56/1033556756.db2.gz KOMBEIWBIICDQY-UXHICEINSA-N 1 1 312.457 3.938 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCCC[C@H]1C(C)C)c1ccccc1 ZINC000878113348 1033583974 /nfs/dbraw/zinc/58/39/74/1033583974.db2.gz ZRBBTJWMFKRCJA-VQTJNVASSA-N 1 1 312.457 3.938 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000878133858 1033593218 /nfs/dbraw/zinc/59/32/18/1033593218.db2.gz OBZFGKFUMDEFEN-YSIASYRMSA-N 1 1 310.441 3.692 20 30 DHEDMO CCC[C@@H]1CCC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878186198 1033612862 /nfs/dbraw/zinc/61/28/62/1033612862.db2.gz HBBALHGZPCBTSL-QUCCMNQESA-N 1 1 312.457 3.939 20 30 DHEDMO CSCC[C@@H](C)[N@@H+](C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878251348 1033635794 /nfs/dbraw/zinc/63/57/94/1033635794.db2.gz XOUZCHBUHFDWMX-CRAIPNDOSA-N 1 1 318.486 3.500 20 30 DHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@H]1CC[C@H](CC)C1)C2 ZINC001173274351 1033645938 /nfs/dbraw/zinc/64/59/38/1033645938.db2.gz DOWZZEBNIZNOJL-INDMIFKZSA-N 1 1 307.478 3.639 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](C)C2(CCC2)C1)c1ccccc1 ZINC000878337098 1033664340 /nfs/dbraw/zinc/66/43/40/1033664340.db2.gz BVIGHUXRNOXORC-DYESRHJHSA-N 1 1 324.468 3.939 20 30 DHEDMO CCSC[C@@H](C)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001173312595 1033665776 /nfs/dbraw/zinc/66/57/76/1033665776.db2.gz UPFZWFCHSJGZPP-PBHICJAKSA-N 1 1 304.459 3.543 20 30 DHEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@H]3CC[C@H](CC)C3)C2)C1 ZINC001173276917 1033667646 /nfs/dbraw/zinc/66/76/46/1033667646.db2.gz ZHVOGMAILVGIRS-JENIJYKNSA-N 1 1 320.477 3.676 20 30 DHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](CC)C1)C2 ZINC001173280641 1033671954 /nfs/dbraw/zinc/67/19/54/1033671954.db2.gz NDCQQHHHPQQRST-ZHALLVOQSA-N 1 1 304.478 3.598 20 30 DHEDMO C=CCCC[C@H](C(=O)NC[C@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000878359252 1033672209 /nfs/dbraw/zinc/67/22/09/1033672209.db2.gz HNCGTPUDWQKDCN-MJGOQNOKSA-N 1 1 314.473 3.585 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@@H](OCc3ccccc3)C2)CC1 ZINC001173320884 1033684567 /nfs/dbraw/zinc/68/45/67/1033684567.db2.gz TXBVUYVJTOBZJF-SOAGJPPSSA-N 1 1 315.457 3.791 20 30 DHEDMO C=CCOC1CCC([N@H+](C)Cc2ccc(OC)cc2OC)CC1 ZINC001173322983 1033685173 /nfs/dbraw/zinc/68/51/73/1033685173.db2.gz ADNOGOWAJXNREL-UHFFFAOYSA-N 1 1 319.445 3.649 20 30 DHEDMO N#CCC1CCC([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)CC1 ZINC001173325290 1033685315 /nfs/dbraw/zinc/68/53/15/1033685315.db2.gz GRMRJPAKZDDRDS-UHFFFAOYSA-N 1 1 320.252 3.881 20 30 DHEDMO C=CCOC1CCC([N@@H+]2CCc3cc(OC)ccc3C2)CC1 ZINC001173321351 1033685597 /nfs/dbraw/zinc/68/55/97/1033685597.db2.gz JFGJWFCQGKWDDI-UHFFFAOYSA-N 1 1 301.430 3.567 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC001173327967 1033688252 /nfs/dbraw/zinc/68/82/52/1033688252.db2.gz WPXPTIGJECETNK-KLAILNCOSA-N 1 1 323.477 3.554 20 30 DHEDMO COC(C[N@@H+](Cc1ccccc1)C1CCC(CC#N)CC1)OC ZINC001173330614 1033688919 /nfs/dbraw/zinc/68/89/19/1033688919.db2.gz DNXPYMDNGWOVTJ-UHFFFAOYSA-N 1 1 316.445 3.580 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000878399395 1033689271 /nfs/dbraw/zinc/68/92/71/1033689271.db2.gz LQFSFDUWUCEVOA-LRGNLBRXSA-N 1 1 324.468 3.938 20 30 DHEDMO COc1cc2c(cc1OC)C[N@H+](C1CCC(CC#N)CC1)CC2 ZINC001173339396 1033694140 /nfs/dbraw/zinc/69/41/40/1033694140.db2.gz OECPZNTVDYNYPI-UHFFFAOYSA-N 1 1 314.429 3.534 20 30 DHEDMO N#CCC1CCC([N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001173338086 1033694282 /nfs/dbraw/zinc/69/42/82/1033694282.db2.gz WVEPMQJHKGGQJT-NLPFYKDJSA-N 1 1 323.440 3.874 20 30 DHEDMO CN1CCC([N@@H+](C2CCCC2)C2CCC(CC#N)CC2)CC1 ZINC001173339467 1033694519 /nfs/dbraw/zinc/69/45/19/1033694519.db2.gz IFATUPAPKWWEJF-UHFFFAOYSA-N 1 1 303.494 3.798 20 30 DHEDMO N#CCC1CCC([NH+]2CC(Oc3ccc(F)c(F)c3)C2)CC1 ZINC001173339363 1033694881 /nfs/dbraw/zinc/69/48/81/1033694881.db2.gz NSIMITDUJDJEIP-UHFFFAOYSA-N 1 1 306.356 3.500 20 30 DHEDMO N#CCC1CCC([N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)CC1 ZINC001173337240 1033695171 /nfs/dbraw/zinc/69/51/71/1033695171.db2.gz CPORQQNQLFCZOW-KVZIAJEVSA-N 1 1 323.440 3.874 20 30 DHEDMO N#CCC1CCC([N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)CC1 ZINC001173339138 1033695394 /nfs/dbraw/zinc/69/53/94/1033695394.db2.gz DQQIBHQGDJTVTO-OYBTXZFASA-N 1 1 309.457 3.527 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1nc(C)ccc1O)c1ccc(F)c(F)c1 ZINC000479421721 1033747956 /nfs/dbraw/zinc/74/79/56/1033747956.db2.gz RSZBJLUXQFTUTG-QGZVFWFLSA-N 1 1 304.340 3.781 20 30 DHEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCC(C)(C#N)CC1 ZINC001173596598 1033780437 /nfs/dbraw/zinc/78/04/37/1033780437.db2.gz ACBJRPOXHJVKGB-UHFFFAOYSA-N 1 1 300.402 3.710 20 30 DHEDMO CCOC(=O)C[N@H+](Cc1ccsc1)C1CCC(C)(C#N)CC1 ZINC001173598256 1033784073 /nfs/dbraw/zinc/78/40/73/1033784073.db2.gz OHLUJNPSTHFYDW-UHFFFAOYSA-N 1 1 320.458 3.586 20 30 DHEDMO CCOC(=O)C[N@@H+](Cc1ccsc1)C1CCC(C)(C#N)CC1 ZINC001173598256 1033784084 /nfs/dbraw/zinc/78/40/84/1033784084.db2.gz OHLUJNPSTHFYDW-UHFFFAOYSA-N 1 1 320.458 3.586 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC001173596844 1033784226 /nfs/dbraw/zinc/78/42/26/1033784226.db2.gz FRJLVKFOBTUTKL-NXYGQSRBSA-N 1 1 302.393 3.751 20 30 DHEDMO CCCc1noc([C@@H]2CCC[N@H+](C3CCC(C)(C#N)CC3)C2)n1 ZINC001173598690 1033785320 /nfs/dbraw/zinc/78/53/20/1033785320.db2.gz UKHOVCZTXXEJGX-KSTDHSDQSA-N 1 1 316.449 3.674 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)CC1 ZINC001173597766 1033785743 /nfs/dbraw/zinc/78/57/43/1033785743.db2.gz IHJMEYOHAKCGDV-QPIRBTGLSA-N 1 1 323.440 3.874 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000878675130 1033795228 /nfs/dbraw/zinc/79/52/28/1033795228.db2.gz LQTUZZKVTBIMDP-WSTZPKSXSA-N 1 1 310.441 3.549 20 30 DHEDMO CCCC[N@@H+](CCC#N)C1CCC2(C[C@@H]2C(=O)OCC)CC1 ZINC001173616104 1033806135 /nfs/dbraw/zinc/80/61/35/1033806135.db2.gz OSZXMFOGEHGWRO-UPTPFMHGSA-N 1 1 306.450 3.514 20 30 DHEDMO C#CC[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC000862443643 1033855644 /nfs/dbraw/zinc/85/56/44/1033855644.db2.gz RPSRMHROMALSTA-KRWDZBQOSA-N 1 1 306.409 3.506 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000862466081 1033861402 /nfs/dbraw/zinc/86/14/02/1033861402.db2.gz DTPIGIPSFYHPIA-UHFFFAOYSA-N 1 1 307.388 3.658 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000553878416 1033866758 /nfs/dbraw/zinc/86/67/58/1033866758.db2.gz FBNWSHSUEPTWIJ-QGZVFWFLSA-N 1 1 319.832 3.567 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1 ZINC000862540882 1033883044 /nfs/dbraw/zinc/88/30/44/1033883044.db2.gz LUEBIEDOJGZRML-IBGZPJMESA-N 1 1 321.420 3.784 20 30 DHEDMO CCOCC[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCc2ccccc21 ZINC000879052088 1033907149 /nfs/dbraw/zinc/90/71/49/1033907149.db2.gz KJLNABQOUDGAQA-IBGZPJMESA-N 1 1 310.397 3.677 20 30 DHEDMO CC[C@@](C)([NH2+]Cc1ccc(OC)c(C#N)c1)c1nc(C)cs1 ZINC000174498957 1033939064 /nfs/dbraw/zinc/93/90/64/1033939064.db2.gz LWDUEFMPBUIFFB-QGZVFWFLSA-N 1 1 315.442 3.747 20 30 DHEDMO Cc1ncc([C@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)s1 ZINC000879251239 1033965661 /nfs/dbraw/zinc/96/56/61/1033965661.db2.gz HQMGGHJZYHGNAI-JTQLQIEISA-N 1 1 321.833 3.858 20 30 DHEDMO N#CCCOCC[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000339052044 1034004157 /nfs/dbraw/zinc/00/41/57/1034004157.db2.gz APXCYUMYYSASNQ-OAQYLSRUSA-N 1 1 320.436 3.759 20 30 DHEDMO CC[N@@H+](CCOC)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000554283490 1034067550 /nfs/dbraw/zinc/06/75/50/1034067550.db2.gz XDAJLVRBFMNCQZ-UHFFFAOYSA-N 1 1 322.452 3.855 20 30 DHEDMO Cc1cncc([C@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)c1 ZINC000879747876 1034109743 /nfs/dbraw/zinc/10/97/43/1034109743.db2.gz SHVPMPLGYVHDBC-LJQANCHMSA-N 1 1 307.397 3.630 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000554404750 1034135902 /nfs/dbraw/zinc/13/59/02/1034135902.db2.gz DONHBXCQVAWSGE-LJQANCHMSA-N 1 1 319.408 3.799 20 30 DHEDMO CCc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)nc1 ZINC000339060925 1034163269 /nfs/dbraw/zinc/16/32/69/1034163269.db2.gz STBCDGPLWKQIOI-UHFFFAOYSA-N 1 1 303.409 3.805 20 30 DHEDMO Cc1csc([C@H]2CC[N@@H+](Cc3cn4ccccc4c3C#N)C2)n1 ZINC000880007460 1034181233 /nfs/dbraw/zinc/18/12/33/1034181233.db2.gz DYHIXZMJXHLXQB-AWEZNQCLSA-N 1 1 322.437 3.565 20 30 DHEDMO CSCCON=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000794575055 1034233296 /nfs/dbraw/zinc/23/32/96/1034233296.db2.gz VUCKOLZDYKTFGH-DLBZAZTESA-N 1 1 318.486 3.654 20 30 DHEDMO N#CCC1(C[N@H+]2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)CC1 ZINC000880278187 1034275465 /nfs/dbraw/zinc/27/54/65/1034275465.db2.gz UPDULBPTQMVZGP-KRWDZBQOSA-N 1 1 320.440 3.950 20 30 DHEDMO COc1cccc([C@H]2CC[N@@H+](CCCSCC#N)C2(C)C)c1 ZINC000880284239 1034279289 /nfs/dbraw/zinc/27/92/89/1034279289.db2.gz AEFNRPNEPDJZKB-QGZVFWFLSA-N 1 1 318.486 3.910 20 30 DHEDMO C[N@@H+](CCCCC#N)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC000880346249 1034301311 /nfs/dbraw/zinc/30/13/11/1034301311.db2.gz NPTMJEVMIYAKLA-UHFFFAOYSA-N 1 1 323.481 3.840 20 30 DHEDMO C[N@H+](CCCSCC#N)Cc1cscc1Br ZINC000880359519 1034305729 /nfs/dbraw/zinc/30/57/29/1034305729.db2.gz OMJHUDCPRSXBFW-UHFFFAOYSA-N 1 1 319.293 3.589 20 30 DHEDMO C[N@@H+](CCCSCC#N)Cc1cscc1Br ZINC000880359519 1034305745 /nfs/dbraw/zinc/30/57/45/1034305745.db2.gz OMJHUDCPRSXBFW-UHFFFAOYSA-N 1 1 319.293 3.589 20 30 DHEDMO N#Cc1cnccc1C[N@@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880389439 1034320048 /nfs/dbraw/zinc/32/00/48/1034320048.db2.gz UQVYLEQEXQMLIW-GOSISDBHSA-N 1 1 309.438 3.633 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880389439 1034320052 /nfs/dbraw/zinc/32/00/52/1034320052.db2.gz UQVYLEQEXQMLIW-GOSISDBHSA-N 1 1 309.438 3.633 20 30 DHEDMO N#Cc1c(F)cccc1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174396586 1034322009 /nfs/dbraw/zinc/32/20/09/1034322009.db2.gz ITXKGRAPOMTCNA-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C[C@@H](C(C)C)CC1=O ZINC000794649581 1034326470 /nfs/dbraw/zinc/32/64/70/1034326470.db2.gz BKLJNKAADLBIRY-SFHVURJKSA-N 1 1 300.446 3.527 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C[C@@H](C(C)C)CC1=O ZINC000794649581 1034326484 /nfs/dbraw/zinc/32/64/84/1034326484.db2.gz BKLJNKAADLBIRY-SFHVURJKSA-N 1 1 300.446 3.527 20 30 DHEDMO CCO[C@H](C)c1nc(CO[NH+]=C(N)C2CCCCC2)cs1 ZINC000120034247 1034338526 /nfs/dbraw/zinc/33/85/26/1034338526.db2.gz CKDWXHUPZRIKQF-LLVKDONJSA-N 1 1 311.451 3.610 20 30 DHEDMO C#CCC1(O)CC[NH+]([C@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000880480882 1034343996 /nfs/dbraw/zinc/34/39/96/1034343996.db2.gz IJRUXYCDGIQNTN-GFCCVEGCSA-N 1 1 312.240 3.905 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)ccc1F ZINC000880575864 1034365662 /nfs/dbraw/zinc/36/56/62/1034365662.db2.gz KSNQNEGNYAPAQK-KRWDZBQOSA-N 1 1 316.420 3.726 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC(C)(C)O1 ZINC000480782754 1034443193 /nfs/dbraw/zinc/44/31/93/1034443193.db2.gz XOGVUZJENKKBPK-MRXNPFEDSA-N 1 1 304.390 3.540 20 30 DHEDMO CCC[N@@H+](CCc1cccs1)C[C@H](O)c1ccc(C#N)cc1 ZINC000184508277 1034480761 /nfs/dbraw/zinc/48/07/61/1034480761.db2.gz NJKGPCPMSWKDMR-SFHVURJKSA-N 1 1 314.454 3.608 20 30 DHEDMO Cc1csc(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c1 ZINC001137161785 1034486368 /nfs/dbraw/zinc/48/63/68/1034486368.db2.gz URRVPMMIYMXWGU-KRWDZBQOSA-N 1 1 312.438 3.972 20 30 DHEDMO C#CCCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000794806167 1034502124 /nfs/dbraw/zinc/50/21/24/1034502124.db2.gz YTQGPKOAVQHRBK-CJNGLKHVSA-N 1 1 311.347 3.881 20 30 DHEDMO C#CCCC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000794806169 1034503041 /nfs/dbraw/zinc/50/30/41/1034503041.db2.gz YTQGPKOAVQHRBK-XJKSGUPXSA-N 1 1 311.347 3.881 20 30 DHEDMO Cc1c(F)cccc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001174664733 1034563744 /nfs/dbraw/zinc/56/37/44/1034563744.db2.gz AFIUAEXMXSXOLN-UHFFFAOYSA-N 1 1 301.390 3.799 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@@H+](CCC2CC2)CC2CC2)cc1 ZINC001174827972 1034623406 /nfs/dbraw/zinc/62/34/06/1034623406.db2.gz WNCXDCSVNLKXPL-UHFFFAOYSA-N 1 1 310.441 3.509 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001174892075 1034665117 /nfs/dbraw/zinc/66/51/17/1034665117.db2.gz ZFXQLONPMNMZCQ-SJORKVTESA-N 1 1 322.493 3.922 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000481214342 1034665368 /nfs/dbraw/zinc/66/53/68/1034665368.db2.gz UYXNSGVKBXWQMA-CVEARBPZSA-N 1 1 310.441 3.913 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000481241747 1034686509 /nfs/dbraw/zinc/68/65/09/1034686509.db2.gz VXTGYXKCFSWASW-LLVKDONJSA-N 1 1 315.244 3.679 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000188494422 1034744220 /nfs/dbraw/zinc/74/42/20/1034744220.db2.gz OSBHQJFDDHTHQD-YVWKXTFCSA-N 1 1 314.473 3.758 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)CC(F)(F)F ZINC000188582125 1034745512 /nfs/dbraw/zinc/74/55/12/1034745512.db2.gz ZDOHVBROIOVLEF-SECBINFHSA-N 1 1 313.772 3.703 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc2n[nH]cc21 ZINC000600121505 1034749655 /nfs/dbraw/zinc/74/96/55/1034749655.db2.gz VLXMCAREKSQEGW-PXNSSMCTSA-N 1 1 316.408 3.835 20 30 DHEDMO FC(F)(F)CCO[NH+]=Cc1ccc(N2CCCCC2)cc1 ZINC000777456209 1034751321 /nfs/dbraw/zinc/75/13/21/1034751321.db2.gz SVGSFYSCWVAHMY-UHFFFAOYSA-N 1 1 300.324 3.980 20 30 DHEDMO C=CCC[C@H]([NH2+]Cc1nccc(OC)c1OC)c1ccccc1 ZINC000191057941 1034756363 /nfs/dbraw/zinc/75/63/63/1034756363.db2.gz NWFSLRSTLMAVCV-INIZCTEOSA-N 1 1 312.413 3.896 20 30 DHEDMO C#Cc1ccc(C[NH2+]Cc2cc(F)ccc2Br)cc1 ZINC000809607676 1034787232 /nfs/dbraw/zinc/78/72/32/1034787232.db2.gz FFQSBSQFZJXBKY-UHFFFAOYSA-N 1 1 318.189 3.859 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000600186809 1034797037 /nfs/dbraw/zinc/79/70/37/1034797037.db2.gz URJLMWNTDUYRCH-INIZCTEOSA-N 1 1 314.429 3.776 20 30 DHEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000600192328 1034798999 /nfs/dbraw/zinc/79/89/99/1034798999.db2.gz QDHDRIXYXPCOGD-KDURUIRLSA-N 1 1 304.393 3.589 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)cc1F ZINC000600214360 1034817098 /nfs/dbraw/zinc/81/70/98/1034817098.db2.gz PDMZZDLZQQJSRM-HNNXBMFYSA-N 1 1 304.409 3.954 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCCC[C@H](C)C1 ZINC000481604053 1034902161 /nfs/dbraw/zinc/90/21/61/1034902161.db2.gz KKHHPZFCVUIQRE-HOTGVXAUSA-N 1 1 320.502 3.773 20 30 DHEDMO N#Cc1ncc(Cl)cc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175504866 1035014319 /nfs/dbraw/zinc/01/43/19/1035014319.db2.gz IJTXSSZVMSRIEJ-UHFFFAOYSA-N 1 1 324.815 3.808 20 30 DHEDMO Cc1n[nH]c2cc(Nc3sc4c(c3C#N)CC[N@H+](C)C4)ccc12 ZINC001175659189 1035075604 /nfs/dbraw/zinc/07/56/04/1035075604.db2.gz FPLYVOFPGFJXBD-UHFFFAOYSA-N 1 1 323.425 3.536 20 30 DHEDMO Cc1[nH]nc2cc(Nc3sc4c(c3C#N)CC[N@@H+](C)C4)ccc12 ZINC001175659189 1035075620 /nfs/dbraw/zinc/07/56/20/1035075620.db2.gz FPLYVOFPGFJXBD-UHFFFAOYSA-N 1 1 323.425 3.536 20 30 DHEDMO Cc1[nH]nc2cc(Nc3sc4c(c3C#N)CC[N@H+](C)C4)ccc12 ZINC001175659189 1035075627 /nfs/dbraw/zinc/07/56/27/1035075627.db2.gz FPLYVOFPGFJXBD-UHFFFAOYSA-N 1 1 323.425 3.536 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000160064030 1035130395 /nfs/dbraw/zinc/13/03/95/1035130395.db2.gz ADZACMGTBJKFOO-LBPRGKRZSA-N 1 1 315.442 3.833 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000160064030 1035130401 /nfs/dbraw/zinc/13/04/01/1035130401.db2.gz ADZACMGTBJKFOO-LBPRGKRZSA-N 1 1 315.442 3.833 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC001176069669 1035190034 /nfs/dbraw/zinc/19/00/34/1035190034.db2.gz KEJLCYFZWCCMIO-CYBMUJFWSA-N 1 1 300.402 3.794 20 30 DHEDMO C#CC[N@@H+](Cc1cccnc1OC)[C@H]1CCCc2ccccc21 ZINC001176451316 1035271797 /nfs/dbraw/zinc/27/17/97/1035271797.db2.gz AUXYWUMGTSWHKT-IBGZPJMESA-N 1 1 306.409 3.603 20 30 DHEDMO C#CC[N@H+](Cc1cccnc1OC)[C@H]1CCCc2ccccc21 ZINC001176451316 1035271802 /nfs/dbraw/zinc/27/18/02/1035271802.db2.gz AUXYWUMGTSWHKT-IBGZPJMESA-N 1 1 306.409 3.603 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000483540120 1035277581 /nfs/dbraw/zinc/27/75/81/1035277581.db2.gz DSHRUYQNKMUCSQ-NRFANRHFSA-N 1 1 305.421 3.719 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC#Cc1ccccc1 ZINC000483931536 1035309841 /nfs/dbraw/zinc/30/98/41/1035309841.db2.gz TXOGACGHDAKTNG-FQEVSTJZSA-N 1 1 318.464 3.635 20 30 DHEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC001176665867 1035310910 /nfs/dbraw/zinc/31/09/10/1035310910.db2.gz ZOTLFIYRMMACQE-DOMZBBRYSA-N 1 1 312.866 3.727 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCSC[C@H]1C1CC1 ZINC001176650118 1035315090 /nfs/dbraw/zinc/31/50/90/1035315090.db2.gz PDWGQPPACBAJFH-SFHVURJKSA-N 1 1 300.471 3.893 20 30 DHEDMO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H]3CC3CCCCC3)cnc12 ZINC000568395134 1035317913 /nfs/dbraw/zinc/31/79/13/1035317913.db2.gz SUFSURJEHLLPIU-GOSISDBHSA-N 1 1 323.444 3.536 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)cc1F ZINC000484064358 1035318289 /nfs/dbraw/zinc/31/82/89/1035318289.db2.gz HWFZVEKWTAPFBF-MRXNPFEDSA-N 1 1 310.372 3.598 20 30 DHEDMO COc1cc([C@@H](C)[NH2+]Cc2ccncc2C#N)cc2ccccc21 ZINC001176793144 1035328472 /nfs/dbraw/zinc/32/84/72/1035328472.db2.gz OHRYALDMLJPFDJ-CQSZACIVSA-N 1 1 317.392 3.966 20 30 DHEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2OC)o1 ZINC001176767373 1035329168 /nfs/dbraw/zinc/32/91/68/1035329168.db2.gz HMLBWTOLAYRCCS-AWEZNQCLSA-N 1 1 313.401 3.676 20 30 DHEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cc(C)ccc1Cl ZINC001176771943 1035330207 /nfs/dbraw/zinc/33/02/07/1035330207.db2.gz YRNAEMYYFJJAKA-JKSUJKDBSA-N 1 1 323.864 3.819 20 30 DHEDMO C=CCC[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC001176771703 1035330371 /nfs/dbraw/zinc/33/03/71/1035330371.db2.gz RFKDWXCLSKGGTH-INIZCTEOSA-N 1 1 308.372 3.724 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001176813909 1035331001 /nfs/dbraw/zinc/33/10/01/1035331001.db2.gz IAYBVCKFPZQKSR-HOTGVXAUSA-N 1 1 308.466 3.674 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000484570609 1035363588 /nfs/dbraw/zinc/36/35/88/1035363588.db2.gz LBXNZLLNIFXALR-UHFFFAOYSA-N 1 1 306.409 3.860 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)Cc1ccccc1)CC1CCCCC1 ZINC000484564404 1035364968 /nfs/dbraw/zinc/36/49/68/1035364968.db2.gz ADDFUINZSSDDMI-UHFFFAOYSA-N 1 1 314.473 3.713 20 30 DHEDMO Cc1cccc(NCc2cc(C#N)ccc2Br)[nH+]1 ZINC001177374584 1035365330 /nfs/dbraw/zinc/36/53/30/1035365330.db2.gz MHIJRFAKVWZRTI-UHFFFAOYSA-N 1 1 302.175 3.636 20 30 DHEDMO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000484613768 1035374356 /nfs/dbraw/zinc/37/43/56/1035374356.db2.gz BRZGDQJMHUTXBO-LJQANCHMSA-N 1 1 319.408 3.642 20 30 DHEDMO C[C@@H](C#N)c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)cc1 ZINC001177621459 1035385080 /nfs/dbraw/zinc/38/50/80/1035385080.db2.gz CDTSUJRGUMLMIX-KSSFIOAISA-N 1 1 323.396 3.510 20 30 DHEDMO C[C@@H](C#N)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)cc1 ZINC001177621459 1035385084 /nfs/dbraw/zinc/38/50/84/1035385084.db2.gz CDTSUJRGUMLMIX-KSSFIOAISA-N 1 1 323.396 3.510 20 30 DHEDMO C=CC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccco1)c1ccccc1 ZINC001177628856 1035385566 /nfs/dbraw/zinc/38/55/66/1035385566.db2.gz KXBFGNUNKDVYOO-RTBURBONSA-N 1 1 324.424 3.678 20 30 DHEDMO C=CC[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccco1)c1ccccc1 ZINC001177628856 1035385570 /nfs/dbraw/zinc/38/55/70/1035385570.db2.gz KXBFGNUNKDVYOO-RTBURBONSA-N 1 1 324.424 3.678 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2c(C)[nH]c3ccccc32)no1 ZINC000904589977 1035427596 /nfs/dbraw/zinc/42/75/96/1035427596.db2.gz QXLMWJSKOAZLOF-OAHLLOKOSA-N 1 1 310.401 3.806 20 30 DHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2ncncc2C)no1 ZINC000904612529 1035436076 /nfs/dbraw/zinc/43/60/76/1035436076.db2.gz LWHHPADYPQLERZ-CYBMUJFWSA-N 1 1 303.410 3.585 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H](OCC)c2ccccc2)no1 ZINC000904700248 1035445332 /nfs/dbraw/zinc/44/53/32/1035445332.db2.gz LDZCAGIDEMVMJI-CABCVRRESA-N 1 1 301.390 3.552 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cc(C)c3ccccc3n2)no1 ZINC000904691836 1035445414 /nfs/dbraw/zinc/44/54/14/1035445414.db2.gz YXQQDBYUQAXCPS-AWEZNQCLSA-N 1 1 308.385 3.949 20 30 DHEDMO COc1cc(C)[nH+]c(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000535282570 1035538159 /nfs/dbraw/zinc/53/81/59/1035538159.db2.gz CXSMUGMXFDNECA-PMACEKPBSA-N 1 1 321.424 3.670 20 30 DHEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCCC[C@H]2c2ccccc2)c1 ZINC001193053658 1035559892 /nfs/dbraw/zinc/55/98/92/1035559892.db2.gz HBVJMRJOXZONNM-VQTJNVASSA-N 1 1 306.409 3.819 20 30 DHEDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000775571189 1035568134 /nfs/dbraw/zinc/56/81/34/1035568134.db2.gz CCRHDHJVYKBZEV-QGZVFWFLSA-N 1 1 322.456 3.601 20 30 DHEDMO C=C[C@](C)(CC)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000189875229 1035579267 /nfs/dbraw/zinc/57/92/67/1035579267.db2.gz JHDLYTZMERCLSC-NVXWUHKLSA-N 1 1 308.853 3.661 20 30 DHEDMO C#CC[N@H+](Cc1cc(Cl)c(OCC=C)c(OC)c1)CC1CC1 ZINC001180116877 1035600644 /nfs/dbraw/zinc/60/06/44/1035600644.db2.gz MZYIFWDNEMZYTH-UHFFFAOYSA-N 1 1 319.832 3.759 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2ccc(OCC3CC3)cc2)CC1 ZINC000190977697 1035650966 /nfs/dbraw/zinc/65/09/66/1035650966.db2.gz LSUFPOBMQKYDMM-UHFFFAOYSA-N 1 1 314.473 3.606 20 30 DHEDMO CC1(C)C[N@@H+](CC2CCC(C#N)CC2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC001193819533 1035743515 /nfs/dbraw/zinc/74/35/15/1035743515.db2.gz MXJCGWMDVMBFDM-SCIDPPFXSA-N 1 1 316.489 3.986 20 30 DHEDMO C=CC[N@H+](Cc1cccc(CNC(=O)OC(C)(C)C)c1)C1CC1 ZINC001180707780 1035748843 /nfs/dbraw/zinc/74/88/43/1035748843.db2.gz NTGQOSNGLKNDGS-UHFFFAOYSA-N 1 1 316.445 3.862 20 30 DHEDMO C#CCOCC[N@@H+]1CCC[C@H]1c1ccc(Br)c(C)c1 ZINC001193881670 1035749435 /nfs/dbraw/zinc/74/94/35/1035749435.db2.gz RSPDMAJHSARTNJ-INIZCTEOSA-N 1 1 322.246 3.544 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C(C)C)ccc1Cl ZINC001193861501 1035758725 /nfs/dbraw/zinc/75/87/25/1035758725.db2.gz BAQNCYKEOJWGBD-HNNXBMFYSA-N 1 1 320.864 3.844 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001194152610 1035848128 /nfs/dbraw/zinc/84/81/28/1035848128.db2.gz FCFGIGFVKTZYPC-YSGRDPCXSA-N 1 1 306.409 3.675 20 30 DHEDMO C#CC[N@H+](CCC(=O)Nc1cc(F)ccc1C)Cc1ccccc1 ZINC001194165899 1035854497 /nfs/dbraw/zinc/85/44/97/1035854497.db2.gz WIMFQYQCGHCSMO-UHFFFAOYSA-N 1 1 324.399 3.598 20 30 DHEDMO C=C(C)C[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000153126094 1035855908 /nfs/dbraw/zinc/85/59/08/1035855908.db2.gz OXVRDOXDLAMRPO-LBPRGKRZSA-N 1 1 324.350 3.504 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000539817765 1035877265 /nfs/dbraw/zinc/87/72/65/1035877265.db2.gz NERVYZOYRKVPIA-FUHWJXTLSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000539817765 1035877289 /nfs/dbraw/zinc/87/72/89/1035877289.db2.gz NERVYZOYRKVPIA-FUHWJXTLSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1 ZINC000539817765 1035877312 /nfs/dbraw/zinc/87/73/12/1035877312.db2.gz NERVYZOYRKVPIA-FUHWJXTLSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1 ZINC000539817765 1035877327 /nfs/dbraw/zinc/87/73/27/1035877327.db2.gz NERVYZOYRKVPIA-FUHWJXTLSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCOC[C@@H]2CC(C)C)cc1OC ZINC000539833912 1035897603 /nfs/dbraw/zinc/89/76/03/1035897603.db2.gz UKRBBZJDSBFJSA-KRWDZBQOSA-N 1 1 319.445 3.507 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCOC[C@@H]2CC(C)C)cc1OC ZINC000539833912 1035897616 /nfs/dbraw/zinc/89/76/16/1035897616.db2.gz UKRBBZJDSBFJSA-KRWDZBQOSA-N 1 1 319.445 3.507 20 30 DHEDMO Cc1cccc2c1CC(C)(C)[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC001194551966 1035958972 /nfs/dbraw/zinc/95/89/72/1035958972.db2.gz OGOADJXIUMPHQT-HXUWFJFHSA-N 1 1 320.436 3.737 20 30 DHEDMO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CCC(C)(C)C#N ZINC001194553222 1035960104 /nfs/dbraw/zinc/96/01/04/1035960104.db2.gz WHTVUSQAOWJOGE-AWEZNQCLSA-N 1 1 305.853 3.790 20 30 DHEDMO CCCC[N@@H+](CC)[C@H](C(=O)N[C@H](CC)CC#N)c1ccccc1 ZINC001182234294 1036138164 /nfs/dbraw/zinc/13/81/64/1036138164.db2.gz CWCJKECZWHUMDT-MSOLQXFVSA-N 1 1 315.461 3.658 20 30 DHEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001195526989 1036280735 /nfs/dbraw/zinc/28/07/35/1036280735.db2.gz NLCGSGYLFKLOEO-RDJZCZTQSA-N 1 1 318.436 3.509 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)ccc1OC ZINC000668625157 1036287202 /nfs/dbraw/zinc/28/72/02/1036287202.db2.gz HJWXGXOHUONUOV-CVEARBPZSA-N 1 1 319.445 3.649 20 30 DHEDMO CCOc1ccc2c(c1)CC[N@H+](Cc1ccc(CC#N)cc1)C2 ZINC000541283394 1036288128 /nfs/dbraw/zinc/28/81/28/1036288128.db2.gz WSBDCDVIPQDEBT-UHFFFAOYSA-N 1 1 306.409 3.710 20 30 DHEDMO C[C@H](CC#N)NC[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001195658830 1036311464 /nfs/dbraw/zinc/31/14/64/1036311464.db2.gz DYRRSAXISMKJEC-NQIIRXRSSA-N 1 1 321.468 3.794 20 30 DHEDMO C=CCCCC[N@@H+](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001195926976 1036389330 /nfs/dbraw/zinc/38/93/30/1036389330.db2.gz CHUSIYBFUJVAMA-UHFFFAOYSA-N 1 1 308.466 3.817 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2C)C1 ZINC001195946012 1036401167 /nfs/dbraw/zinc/40/11/67/1036401167.db2.gz FGFUZGONYYOBJX-CQSZACIVSA-N 1 1 306.837 3.875 20 30 DHEDMO C#CC(C)(C)C(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001182635313 1036403725 /nfs/dbraw/zinc/40/37/25/1036403725.db2.gz DTAXUYJGQQVWKQ-UHFFFAOYSA-N 1 1 318.420 3.800 20 30 DHEDMO C#CC(C)(C)C(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001182635313 1036403736 /nfs/dbraw/zinc/40/37/36/1036403736.db2.gz DTAXUYJGQQVWKQ-UHFFFAOYSA-N 1 1 318.420 3.800 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000774541499 1036445206 /nfs/dbraw/zinc/44/52/06/1036445206.db2.gz QXDRGCKZDXZENK-QGZVFWFLSA-N 1 1 316.445 3.938 20 30 DHEDMO COc1cccc([C@]2(C)CC[N@@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC001196142811 1036450036 /nfs/dbraw/zinc/45/00/36/1036450036.db2.gz SIAIUQKGRVYMJL-OAQYLSRUSA-N 1 1 323.411 3.849 20 30 DHEDMO C#CCCc1noc([C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000762010189 1036463198 /nfs/dbraw/zinc/46/31/98/1036463198.db2.gz GZLYDDQJUARESD-OAHLLOKOSA-N 1 1 324.428 3.610 20 30 DHEDMO C#CCCc1noc([C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000762014917 1036465904 /nfs/dbraw/zinc/46/59/04/1036465904.db2.gz VLZQUGZPDWKHLR-MRXNPFEDSA-N 1 1 323.440 3.651 20 30 DHEDMO C=CC[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)C(C)(C)C ZINC001196198455 1036469917 /nfs/dbraw/zinc/46/99/17/1036469917.db2.gz LYPUURQEAUYCTH-SFHVURJKSA-N 1 1 314.473 3.857 20 30 DHEDMO N#CCC1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000541955431 1036472384 /nfs/dbraw/zinc/47/23/84/1036472384.db2.gz WTZAJCCYLGYMHQ-UHFFFAOYSA-N 1 1 303.456 3.997 20 30 DHEDMO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000443658089 1036482381 /nfs/dbraw/zinc/48/23/81/1036482381.db2.gz NHVAJFXEAGNZMQ-DBVUQKKJSA-N 1 1 310.441 3.924 20 30 DHEDMO C=C(Br)C[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000762057515 1036484856 /nfs/dbraw/zinc/48/48/56/1036484856.db2.gz SSTUDZZTZDQLCM-UHFFFAOYSA-N 1 1 324.262 3.702 20 30 DHEDMO C=C(Br)C[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000762057515 1036484858 /nfs/dbraw/zinc/48/48/58/1036484858.db2.gz SSTUDZZTZDQLCM-UHFFFAOYSA-N 1 1 324.262 3.702 20 30 DHEDMO C[C@H](NCc1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272236931 1036529546 /nfs/dbraw/zinc/52/95/46/1036529546.db2.gz VRRAOXBYALIKFR-UWJYYQICSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@H](NCc1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272236931 1036529558 /nfs/dbraw/zinc/52/95/58/1036529558.db2.gz VRRAOXBYALIKFR-UWJYYQICSA-N 1 1 319.452 3.558 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1cccc(C)c1 ZINC000302976666 1036532627 /nfs/dbraw/zinc/53/26/27/1036532627.db2.gz JNSWQUNMWUZQAI-UHFFFAOYSA-N 1 1 308.425 3.664 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1cccc(C)c1 ZINC000302976666 1036532635 /nfs/dbraw/zinc/53/26/35/1036532635.db2.gz JNSWQUNMWUZQAI-UHFFFAOYSA-N 1 1 308.425 3.664 20 30 DHEDMO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nnc2n1CCCCC2 ZINC000271824048 1036551891 /nfs/dbraw/zinc/55/18/91/1036551891.db2.gz CYBBBNBLHYTSDW-WMLDXEAASA-N 1 1 323.444 3.678 20 30 DHEDMO CCC(CC)CCC[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC001196505523 1036553120 /nfs/dbraw/zinc/55/31/20/1036553120.db2.gz BFUWQUROBNSTBQ-UHFFFAOYSA-N 1 1 301.434 3.645 20 30 DHEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCCCCCC)c1ccc(F)c(F)c1 ZINC000775723727 1036564903 /nfs/dbraw/zinc/56/49/03/1036564903.db2.gz LMTQHBOPKPRARI-GOSISDBHSA-N 1 1 324.415 3.868 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c1F ZINC000774663698 1036651642 /nfs/dbraw/zinc/65/16/42/1036651642.db2.gz OVVBRBKBGOBWHF-QUCCMNQESA-N 1 1 324.399 3.785 20 30 DHEDMO CCc1cccc(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 ZINC001183930394 1036702512 /nfs/dbraw/zinc/70/25/12/1036702512.db2.gz RBMYLCWWEDZVQX-IBGZPJMESA-N 1 1 320.440 3.592 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c1=S ZINC000915210127 1036708112 /nfs/dbraw/zinc/70/81/12/1036708112.db2.gz UJDZLCUILFVECK-IMJJTQAJSA-N 1 1 320.506 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c1=S ZINC000915210127 1036708129 /nfs/dbraw/zinc/70/81/29/1036708129.db2.gz UJDZLCUILFVECK-IMJJTQAJSA-N 1 1 320.506 3.767 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000492265906 1036810647 /nfs/dbraw/zinc/81/06/47/1036810647.db2.gz LTGMJMKLPJHWKW-HOTGVXAUSA-N 1 1 320.864 3.804 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000492265906 1036810672 /nfs/dbraw/zinc/81/06/72/1036810672.db2.gz LTGMJMKLPJHWKW-HOTGVXAUSA-N 1 1 320.864 3.804 20 30 DHEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2Cl)C1 ZINC001197701144 1036850055 /nfs/dbraw/zinc/85/00/55/1036850055.db2.gz CUSPLVBONNIVEX-LLVKDONJSA-N 1 1 312.638 3.948 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2Cl)C1 ZINC001197701144 1036850074 /nfs/dbraw/zinc/85/00/74/1036850074.db2.gz CUSPLVBONNIVEX-LLVKDONJSA-N 1 1 312.638 3.948 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@H](c2ncc(Br)cn2)C1 ZINC001197752074 1036866870 /nfs/dbraw/zinc/86/68/70/1036866870.db2.gz XDSJGOSSFUCCTR-ZDUSSCGKSA-N 1 1 324.266 3.775 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCc3nc[nH]c3C23CCCCC3)cc1 ZINC001197751384 1036867663 /nfs/dbraw/zinc/86/76/63/1036867663.db2.gz PKICKVCFLZBTLQ-UHFFFAOYSA-N 1 1 320.440 3.693 20 30 DHEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1cccc(C)c1)C2 ZINC001203890891 1036925549 /nfs/dbraw/zinc/92/55/49/1036925549.db2.gz NOCYKMIFNPZRDG-HXUWFJFHSA-N 1 1 312.457 3.528 20 30 DHEDMO Cc1cc(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1C#N ZINC000488275945 1036944672 /nfs/dbraw/zinc/94/46/72/1036944672.db2.gz CFGYTWCTMMQECB-LPHOPBHVSA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1cc(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1C#N ZINC000488275945 1036944691 /nfs/dbraw/zinc/94/46/91/1036944691.db2.gz CFGYTWCTMMQECB-LPHOPBHVSA-N 1 1 311.473 3.609 20 30 DHEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc(C#N)ccc1Br ZINC000492634499 1036950528 /nfs/dbraw/zinc/95/05/28/1036950528.db2.gz XGVIMUMRFCUTEM-BXUZGUMPSA-N 1 1 307.235 3.941 20 30 DHEDMO C#CC[N@@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)[C@H]1CCCc2ccccc21 ZINC001198104883 1036953936 /nfs/dbraw/zinc/95/39/36/1036953936.db2.gz VEAPCSXHLSBXAL-QIJZPMMNSA-N 1 1 309.453 3.957 20 30 DHEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCc1ccc(C#N)cc1 ZINC001198174740 1036965284 /nfs/dbraw/zinc/96/52/84/1036965284.db2.gz WVSBCEFDZQVNFT-LLGFUMIMSA-N 1 1 320.436 3.951 20 30 DHEDMO CCc1ccc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 ZINC001198218955 1036973871 /nfs/dbraw/zinc/97/38/71/1036973871.db2.gz LRKQBYQGLLWPNM-FQEVSTJZSA-N 1 1 306.409 3.694 20 30 DHEDMO CCc1ccc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 ZINC001198218955 1036973889 /nfs/dbraw/zinc/97/38/89/1036973889.db2.gz LRKQBYQGLLWPNM-FQEVSTJZSA-N 1 1 306.409 3.694 20 30 DHEDMO C[C@H](Cc1ccsc1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000081598158 1036990877 /nfs/dbraw/zinc/99/08/77/1036990877.db2.gz DHGQXCOOXNXAGM-CQSZACIVSA-N 1 1 300.427 3.562 20 30 DHEDMO CN(C(=O)C[N@H+]1CCC[C@@H]1CC(C)(C)C)C1(C#N)CCCCC1 ZINC000488400540 1036997157 /nfs/dbraw/zinc/99/71/57/1036997157.db2.gz DHYAOZCHNGTXJT-MRXNPFEDSA-N 1 1 319.493 3.572 20 30 DHEDMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC001198308242 1036999758 /nfs/dbraw/zinc/99/97/58/1036999758.db2.gz BCYMLRPPKNZDJB-SFHVURJKSA-N 1 1 306.450 3.514 20 30 DHEDMO Cc1cc(C[N@H+]2C[C@H](C)OC[C@H]2c2ccccc2)ccc1C#N ZINC000488413763 1037011093 /nfs/dbraw/zinc/01/10/93/1037011093.db2.gz ZRDGNVBWIJNJML-JXFKEZNVSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1cc(C[N@@H+]2C[C@H](C)OC[C@H]2c2ccccc2)ccc1C#N ZINC000488413763 1037011114 /nfs/dbraw/zinc/01/11/14/1037011114.db2.gz ZRDGNVBWIJNJML-JXFKEZNVSA-N 1 1 306.409 3.829 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC001198489569 1037037817 /nfs/dbraw/zinc/03/78/17/1037037817.db2.gz BZOAHPXQOBAIQD-HZPDHXFCSA-N 1 1 306.837 3.558 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCC[C@@H]1C ZINC000487983974 1037086483 /nfs/dbraw/zinc/08/64/83/1037086483.db2.gz XWOPQPLRXOABJZ-SUMWQHHRSA-N 1 1 306.837 3.849 20 30 DHEDMO C=CC[C@H](C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000488613828 1037091890 /nfs/dbraw/zinc/09/18/90/1037091890.db2.gz OIKGEEDGPBFLDT-SCTDSRPQSA-N 1 1 314.473 3.725 20 30 DHEDMO CN(CC[C@@H]1CCCC[N@H+]1CCCCC#N)C(=O)OC(C)(C)C ZINC001198845076 1037143109 /nfs/dbraw/zinc/14/31/09/1037143109.db2.gz VWXTXGHCHMZNRH-INIZCTEOSA-N 1 1 323.481 3.792 20 30 DHEDMO Cc1cc(Br)cc(C[N@H+](CCC#N)CC2CC2)c1 ZINC000774878058 1037151587 /nfs/dbraw/zinc/15/15/87/1037151587.db2.gz RSHVWHYWGCGKGO-UHFFFAOYSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1cc(Br)cc(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000774878058 1037151590 /nfs/dbraw/zinc/15/15/90/1037151590.db2.gz RSHVWHYWGCGKGO-UHFFFAOYSA-N 1 1 307.235 3.883 20 30 DHEDMO C=CCn1cccc1C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000489051125 1037237082 /nfs/dbraw/zinc/23/70/82/1037237082.db2.gz XHBVXFCDSFRQGH-UHFFFAOYSA-N 1 1 323.440 3.898 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000325960560 1037280278 /nfs/dbraw/zinc/28/02/78/1037280278.db2.gz QXBSGQKADJKZTD-HNNXBMFYSA-N 1 1 324.424 3.638 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000325960561 1037281777 /nfs/dbraw/zinc/28/17/77/1037281777.db2.gz QXBSGQKADJKZTD-OAHLLOKOSA-N 1 1 324.424 3.638 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1OC ZINC000489399109 1037412230 /nfs/dbraw/zinc/41/22/30/1037412230.db2.gz ISIOBYOYMCJYCW-AWEZNQCLSA-N 1 1 322.836 3.718 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000489428963 1037427326 /nfs/dbraw/zinc/42/73/26/1037427326.db2.gz FRTJOOGOALFMMZ-QGTPRVQTSA-N 1 1 323.864 3.819 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1CCCc1nc(-c2cccs2)no1 ZINC000489439676 1037430657 /nfs/dbraw/zinc/43/06/57/1037430657.db2.gz RFRFCJUDMBWZMK-CYBMUJFWSA-N 1 1 303.431 3.771 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000489487048 1037462064 /nfs/dbraw/zinc/46/20/64/1037462064.db2.gz ZXRLXHGTVQFEGM-IEBWSBKVSA-N 1 1 301.430 3.785 20 30 DHEDMO CC(C)CC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763242640 1037524990 /nfs/dbraw/zinc/52/49/90/1037524990.db2.gz VGFBZOKYKWZYFL-RBUKOAKNSA-N 1 1 300.446 3.882 20 30 DHEDMO C[C@H](NCC[NH+]1[C@H](C)CCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000776156857 1037612657 /nfs/dbraw/zinc/61/26/57/1037612657.db2.gz MMEPGUHCYLCEBT-ZACQAIPSSA-N 1 1 315.461 3.502 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H]1CC=CCC1)[C@@H]2CC ZINC001201411940 1037652727 /nfs/dbraw/zinc/65/27/27/1037652727.db2.gz UFLAHDSTXXHIQN-GGPKGHCWSA-N 1 1 316.489 3.764 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000775135551 1037685509 /nfs/dbraw/zinc/68/55/09/1037685509.db2.gz GVMLGXSHYDLTSK-OCCSQVGLSA-N 1 1 312.335 3.752 20 30 DHEDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC000488114062 1037760924 /nfs/dbraw/zinc/76/09/24/1037760924.db2.gz STEMBAFJYZXQBW-HXUWFJFHSA-N 1 1 308.425 3.640 20 30 DHEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](CC(CC)CC)C2)C1 ZINC001201520556 1037764021 /nfs/dbraw/zinc/76/40/21/1037764021.db2.gz DJWZPZLZKUOMBM-SFHVURJKSA-N 1 1 308.466 3.533 20 30 DHEDMO CCCC[C@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC#N ZINC001273551366 1037766591 /nfs/dbraw/zinc/76/65/91/1037766591.db2.gz LSWYVNKLBVCQGV-OKZBNKHCSA-N 1 1 319.493 3.572 20 30 DHEDMO CCCCCCCCCCC[N@H+]1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001201630919 1037800668 /nfs/dbraw/zinc/80/06/68/1037800668.db2.gz HWZDPAVBSPKVGF-CEXWTWQISA-N 1 1 311.510 3.989 20 30 DHEDMO CC(C)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763406977 1037824146 /nfs/dbraw/zinc/82/41/46/1037824146.db2.gz JMOKMHOWYAYULS-FQEVSTJZSA-N 1 1 308.425 3.750 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000916642477 1037840481 /nfs/dbraw/zinc/84/04/81/1037840481.db2.gz UOUJFCKEXHGIPG-OAHLLOKOSA-N 1 1 300.446 3.985 20 30 DHEDMO CCCCCCCC[N@H+]1CCCn2cnc(COCC)c2C1 ZINC001201813707 1037899159 /nfs/dbraw/zinc/89/91/59/1037899159.db2.gz IIRCUTZTRDHXIT-UHFFFAOYSA-N 1 1 307.482 3.986 20 30 DHEDMO CCCCCCCC[N@H+]1C[C@H]2CCN(c3ncccn3)C[C@H]2C1 ZINC001201813200 1037902503 /nfs/dbraw/zinc/90/25/03/1037902503.db2.gz CFEXXABZHTYNBE-QZTJIDSGSA-N 1 1 316.493 3.595 20 30 DHEDMO CCCCCCCC[N@@H+]1CCn2c(C(=O)OCC)cnc2[C@H]1C ZINC001201840236 1037917352 /nfs/dbraw/zinc/91/73/52/1037917352.db2.gz PVESLQFRWAIAMR-OAHLLOKOSA-N 1 1 321.465 3.797 20 30 DHEDMO CCCCCCCC[N@H+]1CCn2c(C(=O)OCC)cnc2[C@H]1C ZINC001201840236 1037917365 /nfs/dbraw/zinc/91/73/65/1037917365.db2.gz PVESLQFRWAIAMR-OAHLLOKOSA-N 1 1 321.465 3.797 20 30 DHEDMO CCCCCCCCC[N@@H+]1CCn2nc(C(F)(F)F)nc2C1 ZINC001201840421 1037918475 /nfs/dbraw/zinc/91/84/75/1037918475.db2.gz ZUYSQPACDHEOBP-UHFFFAOYSA-N 1 1 318.387 3.863 20 30 DHEDMO CCCCCCCCC[N@H+]1CCn2nc(C(F)(F)F)nc2C1 ZINC001201840421 1037918488 /nfs/dbraw/zinc/91/84/88/1037918488.db2.gz ZUYSQPACDHEOBP-UHFFFAOYSA-N 1 1 318.387 3.863 20 30 DHEDMO CCCCCCCCC[N@H+]1CC2CC1(C(=O)N1CCCC1)C2 ZINC001201845957 1037922178 /nfs/dbraw/zinc/92/21/78/1037922178.db2.gz BBUDKMXDJMQJGU-UHFFFAOYSA-N 1 1 306.494 3.824 20 30 DHEDMO CCCCCCCCCC[N@@H+]1CCc2c(nnn2C)[C@@H]1COC ZINC001201875283 1037926851 /nfs/dbraw/zinc/92/68/51/1037926851.db2.gz UAQOUMDYFUJOPY-KRWDZBQOSA-N 1 1 322.497 3.501 20 30 DHEDMO CCCCCCCCCC[N@H+]1CCc2c(nnn2C)[C@@H]1COC ZINC001201875283 1037926864 /nfs/dbraw/zinc/92/68/64/1037926864.db2.gz UAQOUMDYFUJOPY-KRWDZBQOSA-N 1 1 322.497 3.501 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000775183597 1037944365 /nfs/dbraw/zinc/94/43/65/1037944365.db2.gz PROXLGMDNRMTHX-INIZCTEOSA-N 1 1 304.393 3.591 20 30 DHEDMO N#Cc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)ccn1 ZINC000586776470 1037950200 /nfs/dbraw/zinc/95/02/00/1037950200.db2.gz CWLRPLCFRPIITD-XUVXKRRUSA-N 1 1 303.409 3.721 20 30 DHEDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C2 ZINC000586784211 1037965973 /nfs/dbraw/zinc/96/59/73/1037965973.db2.gz RSSAABCHJFJTDS-UHFFFAOYSA-N 1 1 312.457 3.879 20 30 DHEDMO C/C(=C/c1ccccc1)C[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000494241790 1037986575 /nfs/dbraw/zinc/98/65/75/1037986575.db2.gz OFTPAEBWQBFJJC-VBKFSLOCSA-N 1 1 319.408 3.532 20 30 DHEDMO C/C(=C/c1ccccc1)C[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000494241790 1037986586 /nfs/dbraw/zinc/98/65/86/1037986586.db2.gz OFTPAEBWQBFJJC-VBKFSLOCSA-N 1 1 319.408 3.532 20 30 DHEDMO C=CCOC(=O)N1CCC2(CCC[N@@H+](CC3CCCC3)C2)CC1 ZINC001202120123 1038045886 /nfs/dbraw/zinc/04/58/86/1038045886.db2.gz IXFQVLBCHSCGQM-UHFFFAOYSA-N 1 1 320.477 3.677 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000571294773 1038126247 /nfs/dbraw/zinc/12/62/47/1038126247.db2.gz FBWJKIODDJEERB-GFCCVEGCSA-N 1 1 301.615 3.884 20 30 DHEDMO C=CCOc1cccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c1 ZINC000126884752 1038134860 /nfs/dbraw/zinc/13/48/60/1038134860.db2.gz PCOUYCRSIUSNIV-FQEVSTJZSA-N 1 1 311.425 3.807 20 30 DHEDMO CCC[C@H](C(=O)OCC)[N@H+](CCC)Cc1ccc(C#N)cc1 ZINC001190349111 1038303353 /nfs/dbraw/zinc/30/33/53/1038303353.db2.gz SHJPXLYMLSHZDU-QGZVFWFLSA-N 1 1 302.418 3.502 20 30 DHEDMO CCC[C@H](C(=O)OCC)[N@@H+](CCC)Cc1ccc(C#N)cc1 ZINC001190349111 1038303364 /nfs/dbraw/zinc/30/33/64/1038303364.db2.gz SHJPXLYMLSHZDU-QGZVFWFLSA-N 1 1 302.418 3.502 20 30 DHEDMO C#CC[C@H]([NH2+]Cc1csc(N(C)C2CC2)n1)c1ccccc1 ZINC000775398914 1038353553 /nfs/dbraw/zinc/35/35/53/1038353553.db2.gz NWHQDTKDRWYVIS-KRWDZBQOSA-N 1 1 311.454 3.596 20 30 DHEDMO CCCCCCCNC(=O)N(C)CC[N@@H+](C)Cc1ccccc1 ZINC001191101597 1038438152 /nfs/dbraw/zinc/43/81/52/1038438152.db2.gz OVTQQVLJAHWGKJ-UHFFFAOYSA-N 1 1 319.493 3.730 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000589280557 1038457294 /nfs/dbraw/zinc/45/72/94/1038457294.db2.gz RTODBAMKXNCGPN-OXQOHEQNSA-N 1 1 317.436 3.756 20 30 DHEDMO Cc1ccc(CN2CC[C@@H](C[N@H+](C)[C@H](C)CCC#N)C2)s1 ZINC000572606568 1038475464 /nfs/dbraw/zinc/47/54/64/1038475464.db2.gz XUZHRVWZLLCPKV-ZBFHGGJFSA-N 1 1 305.491 3.503 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000589494191 1038486041 /nfs/dbraw/zinc/48/60/41/1038486041.db2.gz HSQYIDLSRADGRE-LBPRGKRZSA-N 1 1 324.409 3.536 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)n1 ZINC000589494191 1038486049 /nfs/dbraw/zinc/48/60/49/1038486049.db2.gz HSQYIDLSRADGRE-LBPRGKRZSA-N 1 1 324.409 3.536 20 30 DHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)CCCCCC#N)cc2)c1C ZINC000589729731 1038537225 /nfs/dbraw/zinc/53/72/25/1038537225.db2.gz YUNPGBSJRPFWFA-UHFFFAOYSA-N 1 1 310.401 3.902 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[NH+](C2CCC2)C2CCC2)c1C#N ZINC000590024776 1038568859 /nfs/dbraw/zinc/56/88/59/1038568859.db2.gz CKGJIZKMFSSYLR-UHFFFAOYSA-N 1 1 320.440 3.959 20 30 DHEDMO N#Cc1cccc(C[NH+]2CCC(C(=O)c3ccccc3F)CC2)c1 ZINC001203763649 1038701020 /nfs/dbraw/zinc/70/10/20/1038701020.db2.gz DWBHAGMKWSJYAV-UHFFFAOYSA-N 1 1 322.383 3.792 20 30 DHEDMO N#CC1(CCCC[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)CCC1 ZINC001192955102 1038719802 /nfs/dbraw/zinc/71/98/02/1038719802.db2.gz FKMKKFFHGKKHRU-SJORKVTESA-N 1 1 322.518 3.837 20 30 DHEDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000590967959 1038732671 /nfs/dbraw/zinc/73/26/71/1038732671.db2.gz RFIBJJDVCSFMPC-UHFFFAOYSA-N 1 1 324.472 3.879 20 30 DHEDMO N#CC1(CC[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)CCCCC1 ZINC000591022863 1038749254 /nfs/dbraw/zinc/74/92/54/1038749254.db2.gz NVCXVCFUOAQSJA-MSOLQXFVSA-N 1 1 304.478 3.989 20 30 DHEDMO COCC1([N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000591021444 1038749440 /nfs/dbraw/zinc/74/94/40/1038749440.db2.gz OKNKSRPSFQALKC-UHFFFAOYSA-N 1 1 306.409 3.836 20 30 DHEDMO N#CC1(CC[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)CCCCC1 ZINC000591022864 1038749466 /nfs/dbraw/zinc/74/94/66/1038749466.db2.gz NVCXVCFUOAQSJA-QZTJIDSGSA-N 1 1 304.478 3.989 20 30 DHEDMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC000057873925 1038753335 /nfs/dbraw/zinc/75/33/35/1038753335.db2.gz XYQGDESSEVGVRP-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO C#CCC[N@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000760826451 1038861052 /nfs/dbraw/zinc/86/10/52/1038861052.db2.gz FSKLWXGRUAHRFW-AWEZNQCLSA-N 1 1 308.219 3.618 20 30 DHEDMO C#CCC[N@@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000760826451 1038861064 /nfs/dbraw/zinc/86/10/64/1038861064.db2.gz FSKLWXGRUAHRFW-AWEZNQCLSA-N 1 1 308.219 3.618 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H](C)CN(CC)CC)cc1Cl ZINC000591707959 1038966209 /nfs/dbraw/zinc/96/62/09/1038966209.db2.gz ACXWKBVCOWHLSZ-AWEZNQCLSA-N 1 1 310.869 3.725 20 30 DHEDMO CCCCC[N@@H+](CCC(=O)Nc1sccc1C#N)C(C)C ZINC000046018044 1039031404 /nfs/dbraw/zinc/03/14/04/1039031404.db2.gz HSVCLMVKHUCJRE-UHFFFAOYSA-N 1 1 307.463 3.849 20 30 DHEDMO COc1ccc(C[C@@H]2CCCC[N@H+]2Cc2ccc(C#N)o2)cc1 ZINC000593676452 1039042764 /nfs/dbraw/zinc/04/27/64/1039042764.db2.gz JMRUESDVTHFUDL-INIZCTEOSA-N 1 1 310.397 3.757 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)o1 ZINC000593699093 1039076613 /nfs/dbraw/zinc/07/66/13/1039076613.db2.gz ZVZAWXMKSCPUBA-FHWLQOOXSA-N 1 1 308.381 3.646 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)o1 ZINC000593699093 1039076633 /nfs/dbraw/zinc/07/66/33/1039076633.db2.gz ZVZAWXMKSCPUBA-FHWLQOOXSA-N 1 1 308.381 3.646 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000592123665 1039124405 /nfs/dbraw/zinc/12/44/05/1039124405.db2.gz XUTBDLZSLYVXCM-XUVXKRRUSA-N 1 1 303.409 3.721 20 30 DHEDMO C[C@@]1(Cc2ccccc2F)CCC[N@H+]1CCCSCC#N ZINC000592143472 1039127039 /nfs/dbraw/zinc/12/70/39/1039127039.db2.gz CQOAOJAAUCBWNT-KRWDZBQOSA-N 1 1 306.450 3.870 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000592134942 1039127056 /nfs/dbraw/zinc/12/70/56/1039127056.db2.gz VHUCMMHEEQHOEK-IEBWSBKVSA-N 1 1 312.457 3.879 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CCC2)cc1 ZINC000592138930 1039135475 /nfs/dbraw/zinc/13/54/75/1039135475.db2.gz GCBKRSOWEXFSOB-NRFANRHFSA-N 1 1 320.436 3.721 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cc2n(n1)CCCC2 ZINC000592390486 1039187134 /nfs/dbraw/zinc/18/71/34/1039187134.db2.gz XFOABSMBCCEGLW-LBPRGKRZSA-N 1 1 314.820 3.595 20 30 DHEDMO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1cc2n(n1)CCCC2 ZINC000592390805 1039187727 /nfs/dbraw/zinc/18/77/27/1039187727.db2.gz PAUKNPBIDPPNBG-AUUYWEPGSA-N 1 1 320.440 3.819 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000599528860 1039197037 /nfs/dbraw/zinc/19/70/37/1039197037.db2.gz IBQQRVPVAULKEA-ZDUSSCGKSA-N 1 1 313.357 3.648 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000599529545 1039200796 /nfs/dbraw/zinc/20/07/96/1039200796.db2.gz NSHKVANSEOJYGU-GFCCVEGCSA-N 1 1 305.219 3.719 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c(OC(F)F)c1 ZINC000599552337 1039213141 /nfs/dbraw/zinc/21/31/41/1039213141.db2.gz AAFZYUFSUZLMSL-KGLIPLIRSA-N 1 1 324.396 3.630 20 30 DHEDMO Cc1c2cccc(Cl)c2sc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592525514 1039225308 /nfs/dbraw/zinc/22/53/08/1039225308.db2.gz PCILYZXRBVDRRA-MRXNPFEDSA-N 1 1 320.845 3.714 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000599621387 1039228836 /nfs/dbraw/zinc/22/88/36/1039228836.db2.gz LEWIESCBXCSLES-IAGOWNOFSA-N 1 1 318.436 3.694 20 30 DHEDMO N#CCSCCC[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599635534 1039243812 /nfs/dbraw/zinc/24/38/12/1039243812.db2.gz RUERVCQCHKZVCP-UHFFFAOYSA-N 1 1 314.376 3.710 20 30 DHEDMO CCOCC[N@@H+](CCCSCC#N)[C@H]1CCc2ccccc21 ZINC000599625199 1039248136 /nfs/dbraw/zinc/24/81/36/1039248136.db2.gz HKKRBJKZSKFXMD-SFHVURJKSA-N 1 1 318.486 3.659 20 30 DHEDMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CC1(C#N)CC1 ZINC000599654378 1039257123 /nfs/dbraw/zinc/25/71/23/1039257123.db2.gz ZVPFLGVEQKETNY-OCCSQVGLSA-N 1 1 319.246 3.931 20 30 DHEDMO COC[C@@H](C)[N@@H+](CCCSCC#N)[C@H]1CCc2ccccc21 ZINC000599684135 1039270090 /nfs/dbraw/zinc/27/00/90/1039270090.db2.gz VKWCBMGQPLBNEN-QAPCUYQASA-N 1 1 318.486 3.658 20 30 DHEDMO C=CC[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1F ZINC000604071511 1039332475 /nfs/dbraw/zinc/33/24/75/1039332475.db2.gz DPNULMXCZMZNPD-UHFFFAOYSA-N 1 1 310.372 3.764 20 30 DHEDMO C=CC[N@H+](CCOc1cccc(C#N)c1)Cc1ccccc1F ZINC000604071511 1039332508 /nfs/dbraw/zinc/33/25/08/1039332508.db2.gz DPNULMXCZMZNPD-UHFFFAOYSA-N 1 1 310.372 3.764 20 30 DHEDMO N#Cc1cc(CS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000592354582 1039338996 /nfs/dbraw/zinc/33/89/96/1039338996.db2.gz PBGJNJFHNWZXKR-LJQANCHMSA-N 1 1 323.465 3.851 20 30 DHEDMO CC(C)C[N@@H+](Cc1cn2ccccc2n1)Cc1ccc(C#N)cc1 ZINC000604500821 1039488248 /nfs/dbraw/zinc/48/82/48/1039488248.db2.gz ZSYUYFYGCQKNCP-UHFFFAOYSA-N 1 1 318.424 3.864 20 30 DHEDMO C=CCCC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000605149920 1039639142 /nfs/dbraw/zinc/63/91/42/1039639142.db2.gz QDCJEZREXUHTDR-CABCVRRESA-N 1 1 300.229 3.850 20 30 DHEDMO N#C[C@@H]1C[N@H+](CCc2noc3ccccc32)C[C@H]1c1ccccc1 ZINC000593991444 1039647761 /nfs/dbraw/zinc/64/77/61/1039647761.db2.gz DDNJIUDGUXNHIO-AEFFLSMTSA-N 1 1 317.392 3.609 20 30 DHEDMO N#C[C@@H]1C[N@@H+](CCc2noc3ccccc32)C[C@H]1c1ccccc1 ZINC000593991444 1039647770 /nfs/dbraw/zinc/64/77/70/1039647770.db2.gz DDNJIUDGUXNHIO-AEFFLSMTSA-N 1 1 317.392 3.609 20 30 DHEDMO CCOC(=O)[C@@H]([NH2+]CCCC(C)(C)C#N)C1CCCCCC1 ZINC000594047315 1039673026 /nfs/dbraw/zinc/67/30/26/1039673026.db2.gz LKBZXOYSVNECBO-INIZCTEOSA-N 1 1 308.466 3.808 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000605737743 1039746668 /nfs/dbraw/zinc/74/66/68/1039746668.db2.gz VTFGSXPGQJFOQI-HNNXBMFYSA-N 1 1 318.486 3.802 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000605742851 1039746804 /nfs/dbraw/zinc/74/68/04/1039746804.db2.gz GJFJGTQPLLIJBD-MRXNPFEDSA-N 1 1 310.441 3.915 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000606435155 1039874584 /nfs/dbraw/zinc/87/45/84/1039874584.db2.gz LFZMYLHQBVSXNK-ROUUACIJSA-N 1 1 314.473 3.597 20 30 DHEDMO Cn1c2ccccc2nc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033183 1039962562 /nfs/dbraw/zinc/96/25/62/1039962562.db2.gz JKAVGWZYQGXARX-UHFFFAOYSA-N 1 1 316.408 3.614 20 30 DHEDMO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCCCC2)cc1OC ZINC000595101601 1040067402 /nfs/dbraw/zinc/06/74/02/1040067402.db2.gz XIHNFHAZNVFMCU-AWEZNQCLSA-N 1 1 302.418 3.828 20 30 DHEDMO COc1cc2c(cc1F)CC[C@@H]2[NH2+]CC1(C#N)CCCCC1 ZINC000595090660 1040076391 /nfs/dbraw/zinc/07/63/91/1040076391.db2.gz KKFBMDNRHZFZSW-INIZCTEOSA-N 1 1 302.393 3.885 20 30 DHEDMO Cn1cc[nH+]c1C[C@@H](Nc1cccc(F)c1C#N)c1ccccc1 ZINC000078559007 1040087968 /nfs/dbraw/zinc/08/79/68/1040087968.db2.gz BZWORPILZSJWJK-GOSISDBHSA-N 1 1 320.371 3.827 20 30 DHEDMO C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)C[C@H](c2ccccc2)O1 ZINC000595294571 1040092560 /nfs/dbraw/zinc/09/25/60/1040092560.db2.gz POTOPILURAIEHZ-OXJNMPFZSA-N 1 1 306.409 3.563 20 30 DHEDMO N#C[C@H](c1ccc(Cl)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000595329404 1040098995 /nfs/dbraw/zinc/09/89/95/1040098995.db2.gz RPOYBEBRVYOXCD-GOSISDBHSA-N 1 1 317.864 3.855 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000595333587 1040100418 /nfs/dbraw/zinc/10/04/18/1040100418.db2.gz KRHJODYIWDUDCS-NHCUHLMSSA-N 1 1 315.420 3.873 20 30 DHEDMO C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)C[C@H](c2ccsc2)O1 ZINC000595343646 1040101726 /nfs/dbraw/zinc/10/17/26/1040101726.db2.gz HKBFQOCBYWLDKU-KBXCAEBGSA-N 1 1 312.438 3.624 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN([C@@H](C#N)c2ccccc2)C1 ZINC000595323785 1040108566 /nfs/dbraw/zinc/10/85/66/1040108566.db2.gz PHWOAELVPXBSQR-HBFSDRIKSA-N 1 1 311.473 3.838 20 30 DHEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CCc1ccc(C#N)cc1)CCC2 ZINC000595375302 1040127893 /nfs/dbraw/zinc/12/78/93/1040127893.db2.gz RNKZTDSGWRYZKN-KRWDZBQOSA-N 1 1 311.454 3.875 20 30 DHEDMO C=CCC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000595417137 1040132870 /nfs/dbraw/zinc/13/28/70/1040132870.db2.gz FPCWISDLICKLGQ-CQSZACIVSA-N 1 1 301.346 3.688 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000595617382 1040193884 /nfs/dbraw/zinc/19/38/84/1040193884.db2.gz ZKNDKHXDXLWGAD-KRWDZBQOSA-N 1 1 321.424 3.786 20 30 DHEDMO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)ccc1Br ZINC000595623325 1040195933 /nfs/dbraw/zinc/19/59/33/1040195933.db2.gz MYGWUANEQCAIBD-CYBMUJFWSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1Br ZINC000595623325 1040195940 /nfs/dbraw/zinc/19/59/40/1040195940.db2.gz MYGWUANEQCAIBD-CYBMUJFWSA-N 1 1 307.235 3.883 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000595609814 1040204836 /nfs/dbraw/zinc/20/48/36/1040204836.db2.gz PKVYAIQAZCSXLD-LBPRGKRZSA-N 1 1 313.228 3.998 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1 ZINC000595609814 1040204839 /nfs/dbraw/zinc/20/48/39/1040204839.db2.gz PKVYAIQAZCSXLD-LBPRGKRZSA-N 1 1 313.228 3.998 20 30 DHEDMO Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595615352 1040207987 /nfs/dbraw/zinc/20/79/87/1040207987.db2.gz QDHNQAHCFHUGSA-HUUCEWRRSA-N 1 1 310.401 3.732 20 30 DHEDMO Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595615352 1040207991 /nfs/dbraw/zinc/20/79/91/1040207991.db2.gz QDHNQAHCFHUGSA-HUUCEWRRSA-N 1 1 310.401 3.732 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000595612520 1040208099 /nfs/dbraw/zinc/20/80/99/1040208099.db2.gz XUCCPDGOTSNRRX-CYBMUJFWSA-N 1 1 312.335 3.753 20 30 DHEDMO CC#CC[N@@H+]1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000607728852 1040239163 /nfs/dbraw/zinc/23/91/63/1040239163.db2.gz INGFFAFCDPSCQG-QGZVFWFLSA-N 1 1 301.430 3.514 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000595909280 1040274791 /nfs/dbraw/zinc/27/47/91/1040274791.db2.gz RBIJCIWGYZNEAG-UHFFFAOYSA-N 1 1 304.393 3.688 20 30 DHEDMO N#Cc1cccc(-c2nnc(C[N@@H+](CCC3CC3)CC3CC3)o2)c1 ZINC000595871002 1040277335 /nfs/dbraw/zinc/27/73/35/1040277335.db2.gz JBBVHYUGJNMSHV-UHFFFAOYSA-N 1 1 322.412 3.620 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1nc2ncccc2cc1C#N ZINC000596076890 1040299699 /nfs/dbraw/zinc/29/96/99/1040299699.db2.gz REIBAKOPNBUURH-OAHLLOKOSA-N 1 1 323.444 3.568 20 30 DHEDMO CC[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596094358 1040305849 /nfs/dbraw/zinc/30/58/49/1040305849.db2.gz LCNBEHRMFCGDPZ-QUCCMNQESA-N 1 1 311.473 3.721 20 30 DHEDMO CC[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596094358 1040305859 /nfs/dbraw/zinc/30/58/59/1040305859.db2.gz LCNBEHRMFCGDPZ-QUCCMNQESA-N 1 1 311.473 3.721 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](O)c1ccc(F)cc1F ZINC000173553523 1040333989 /nfs/dbraw/zinc/33/39/89/1040333989.db2.gz DLQLPPLVZPIAQK-KRWDZBQOSA-N 1 1 310.388 3.650 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)C[C@H](O)c1ccc(F)cc1F ZINC000173553523 1040333975 /nfs/dbraw/zinc/33/39/75/1040333975.db2.gz DLQLPPLVZPIAQK-KRWDZBQOSA-N 1 1 310.388 3.650 20 30 DHEDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596980855 1040614381 /nfs/dbraw/zinc/61/43/81/1040614381.db2.gz VNKBRVHFSSPWCU-IBGZPJMESA-N 1 1 305.425 3.917 20 30 DHEDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596984050 1040618678 /nfs/dbraw/zinc/61/86/78/1040618678.db2.gz OKWBSNUFJWQCSV-UHFFFAOYSA-N 1 1 300.446 3.879 20 30 DHEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597130402 1040659252 /nfs/dbraw/zinc/65/92/52/1040659252.db2.gz NDALRJZZAMYYAU-SFHVURJKSA-N 1 1 320.440 3.919 20 30 DHEDMO COc1ccc(C[NH2+][C@H](C)c2c(F)cccc2OC)cc1C#N ZINC000174565926 1040661827 /nfs/dbraw/zinc/66/18/27/1040661827.db2.gz VKKNFRZYLVVJDI-GFCCVEGCSA-N 1 1 314.360 3.565 20 30 DHEDMO COc1ccc(C[NH2+][C@@H](c2ncc(C)s2)C2CC2)cc1C#N ZINC000174544987 1040663166 /nfs/dbraw/zinc/66/31/66/1040663166.db2.gz RCKASYAKUHCJBX-MRXNPFEDSA-N 1 1 313.426 3.573 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H]3[C@@H]3CCCOC3)cc2)CC1 ZINC000597154029 1040667813 /nfs/dbraw/zinc/66/78/13/1040667813.db2.gz LCTONXBZPRGUBJ-IEBWSBKVSA-N 1 1 310.441 3.633 20 30 DHEDMO Cc1cc(C[NH+]2CC(CC#N)C2)cc(C)c1OCc1ccccn1 ZINC000597193522 1040672454 /nfs/dbraw/zinc/67/24/54/1040672454.db2.gz GEERUJPOEXRJFW-UHFFFAOYSA-N 1 1 321.424 3.623 20 30 DHEDMO CCCOc1c(C[N@H+]2CCC[C@@H](CC#N)C2)cccc1OCC ZINC000597174433 1040676620 /nfs/dbraw/zinc/67/66/20/1040676620.db2.gz QJCJCXMJHWUVMY-INIZCTEOSA-N 1 1 316.445 4.000 20 30 DHEDMO COc1ccc(C[C@@H](C)C[N@H+]2CCC[C@@H](CC#N)C2)cc1F ZINC000597177608 1040679399 /nfs/dbraw/zinc/67/93/99/1040679399.db2.gz QGLVVTCQPQDVSR-CABCVRRESA-N 1 1 304.409 3.639 20 30 DHEDMO COc1ccc(Oc2ccc(C[NH+]3CC(CC#N)C3)cc2)cc1 ZINC000597203564 1040692501 /nfs/dbraw/zinc/69/25/01/1040692501.db2.gz KWLJAGPRDQLKIY-UHFFFAOYSA-N 1 1 308.381 3.833 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H]2CCCC[C@H]12 ZINC000534337160 1040821212 /nfs/dbraw/zinc/82/12/12/1040821212.db2.gz UUMSWTIIWBZAQX-OLMNPRSZSA-N 1 1 308.429 3.607 20 30 DHEDMO COc1cccc(C[N@@H+](C[C@H](C)CCC#N)C[C@H]2CCCO2)c1 ZINC000602455223 1041029327 /nfs/dbraw/zinc/02/93/27/1041029327.db2.gz PLTHLUWSNDEOSF-VQIMIIECSA-N 1 1 316.445 3.616 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](C)CCc1ccc(Br)cc1 ZINC000602459280 1041042814 /nfs/dbraw/zinc/04/28/14/1041042814.db2.gz SODULBIAXPONAT-ZDUSSCGKSA-N 1 1 309.251 3.863 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000602473770 1041049630 /nfs/dbraw/zinc/04/96/30/1041049630.db2.gz PNYFVTRDBJSLQO-KRWDZBQOSA-N 1 1 300.446 3.855 20 30 DHEDMO N#Cc1cccc(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)n1 ZINC000602581984 1041114128 /nfs/dbraw/zinc/11/41/28/1041114128.db2.gz LKEUYLCFJMFPED-MRXNPFEDSA-N 1 1 313.788 3.610 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000602662917 1041146530 /nfs/dbraw/zinc/14/65/30/1041146530.db2.gz OADLYANOBVUICK-NVXWUHKLSA-N 1 1 323.444 3.591 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2cccc(C#N)n2)C(C)(C)C)cc1 ZINC000602668169 1041150324 /nfs/dbraw/zinc/15/03/24/1041150324.db2.gz BTJGTSNVNMIDAV-UHFFFAOYSA-N 1 1 309.413 3.763 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000602692984 1041154619 /nfs/dbraw/zinc/15/46/19/1041154619.db2.gz KJALBJLPKBOCQA-HZPDHXFCSA-N 1 1 308.466 3.760 20 30 DHEDMO COc1cc2c(cc1OC)[C@H]([N@H+]1Cc3ccc(C#N)cc3C1)CC2 ZINC000602711408 1041172618 /nfs/dbraw/zinc/17/26/18/1041172618.db2.gz QBUJKZJJNLQVDN-GOSISDBHSA-N 1 1 320.392 3.579 20 30 DHEDMO COc1cc2c(cc1OC)[C@@H]([N@H+]1Cc3ccc(C#N)cc3C1)CC2 ZINC000602711409 1041173460 /nfs/dbraw/zinc/17/34/60/1041173460.db2.gz QBUJKZJJNLQVDN-SFHVURJKSA-N 1 1 320.392 3.579 20 30 DHEDMO N#CC1(CN2CCC3(CC2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000602862132 1041268970 /nfs/dbraw/zinc/26/89/70/1041268970.db2.gz IZTZSJGSESLHMU-UHFFFAOYSA-N 1 1 323.484 3.668 20 30 DHEDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598585198 1041349143 /nfs/dbraw/zinc/34/91/43/1041349143.db2.gz YBCPFMZLBGJZMP-HIFRSBDPSA-N 1 1 300.402 3.726 20 30 DHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@H](O)CC(C)(C)C#N ZINC000598593115 1041350937 /nfs/dbraw/zinc/35/09/37/1041350937.db2.gz PZFJXLACFDMPDH-ZWKOTPCHSA-N 1 1 302.462 3.630 20 30 DHEDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598590173 1041351677 /nfs/dbraw/zinc/35/16/77/1041351677.db2.gz LNEFKHUKZJPTCM-OTWHNJEPSA-N 1 1 314.473 3.945 20 30 DHEDMO CCCC[N@H+](Cc1ccccc1F)C[C@H](O)CC(C)(C)C#N ZINC000598591691 1041351961 /nfs/dbraw/zinc/35/19/61/1041351961.db2.gz YSBCGHKWSYDOBU-MRXNPFEDSA-N 1 1 306.425 3.729 20 30 DHEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598594254 1041354467 /nfs/dbraw/zinc/35/44/67/1041354467.db2.gz FEYYJFPDCKIHOC-KBRIMQKVSA-N 1 1 304.409 3.509 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000598621122 1041360954 /nfs/dbraw/zinc/36/09/54/1041360954.db2.gz FSGUVRWZYQRLPL-IEBWSBKVSA-N 1 1 318.436 3.523 20 30 DHEDMO C[C@@H](C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C ZINC000603055988 1041362075 /nfs/dbraw/zinc/36/20/75/1041362075.db2.gz PIBAKTJPKUILHI-ZDUSSCGKSA-N 1 1 312.417 3.722 20 30 DHEDMO C[C@H]1C[C@@H](N(C)Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000093318218 193231185 /nfs/dbraw/zinc/23/11/85/193231185.db2.gz JMTCHUCOKNZGAQ-WMZOPIPTSA-N 1 1 323.440 3.636 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)s1 ZINC000563821288 335029442 /nfs/dbraw/zinc/02/94/42/335029442.db2.gz QGVZLCLWBRPXOE-GVDBMIGSSA-N 1 1 304.459 3.525 20 30 DHEDMO C=CCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ccco1 ZINC000286342061 335033261 /nfs/dbraw/zinc/03/32/61/335033261.db2.gz YJLGGWCGCOJNPF-OAHLLOKOSA-N 1 1 316.357 3.994 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)N(C)c1ccccc1 ZINC000425542964 335036261 /nfs/dbraw/zinc/03/62/61/335036261.db2.gz YYDHRPKTSDUISM-MRXNPFEDSA-N 1 1 321.424 3.604 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(F)cc2Br)cc1 ZINC000037749200 182923112 /nfs/dbraw/zinc/92/31/12/182923112.db2.gz ACRZXEUPHZXYMB-UHFFFAOYSA-N 1 1 319.177 3.750 20 30 DHEDMO C=C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000135649890 335038175 /nfs/dbraw/zinc/03/81/75/335038175.db2.gz TVGGCGWCAIHEBB-LMMKCTJWSA-N 1 1 314.473 3.535 20 30 DHEDMO Cc1cccc2nc(C[N@@H+](C)[C@H](C)c3cccc(C#N)c3)cn21 ZINC000425543846 335038760 /nfs/dbraw/zinc/03/87/60/335038760.db2.gz ZSWFIMHIEZBKGQ-OAHLLOKOSA-N 1 1 304.397 3.707 20 30 DHEDMO Cc1cccc2nc(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)cn21 ZINC000425543846 335038762 /nfs/dbraw/zinc/03/87/62/335038762.db2.gz ZSWFIMHIEZBKGQ-OAHLLOKOSA-N 1 1 304.397 3.707 20 30 DHEDMO C[C@H](C[N@@H+](C)CC#Cc1ccc(Cl)cc1)c1nccs1 ZINC000183999964 335052312 /nfs/dbraw/zinc/05/23/12/335052312.db2.gz JTYTVEUZDPWIAG-CYBMUJFWSA-N 1 1 304.846 3.884 20 30 DHEDMO C=C(C)C[C@H](C)c1nc(-c2ccc(-n3cc[nH+]c3C)nc2)no1 ZINC000288929572 335058700 /nfs/dbraw/zinc/05/87/00/335058700.db2.gz MUNZBDZFULWJID-LBPRGKRZSA-N 1 1 309.373 3.695 20 30 DHEDMO CC(=O)Nc1ccn([C@@H]2CC[N@H+]([C@@H](C)c3cccc(C)c3)C2)n1 ZINC000328621214 257264674 /nfs/dbraw/zinc/26/46/74/257264674.db2.gz HORRBARQLKWSJD-WMLDXEAASA-N 1 1 312.417 3.807 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2nccc3ccccc32)CC1 ZINC000289585859 335064746 /nfs/dbraw/zinc/06/47/46/335064746.db2.gz FCRSANNPUYBHDF-MRXNPFEDSA-N 1 1 309.457 3.926 20 30 DHEDMO CC1(C)C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000287122856 131265082 /nfs/dbraw/zinc/26/50/82/131265082.db2.gz ZINMNTMZYFYULJ-RDJZCZTQSA-N 1 1 312.438 3.736 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1cnc([C@@H](C)O)s1)c1ccc(F)c(F)c1 ZINC000289764723 335065273 /nfs/dbraw/zinc/06/52/73/335065273.db2.gz QMRQBODTKJCEEZ-BMIGLBTASA-N 1 1 324.396 3.882 20 30 DHEDMO C=CCc1cc(C[N@H+](Cc2ccccn2)C2CC2)cc(OC)c1O ZINC000290622456 335073927 /nfs/dbraw/zinc/07/39/27/335073927.db2.gz XKTBFSABQKNNNU-UHFFFAOYSA-N 1 1 324.424 3.689 20 30 DHEDMO C=CCc1cc(C[N@@H+](Cc2ccccn2)C2CC2)cc(OC)c1O ZINC000290622456 335073929 /nfs/dbraw/zinc/07/39/29/335073929.db2.gz XKTBFSABQKNNNU-UHFFFAOYSA-N 1 1 324.424 3.689 20 30 DHEDMO C=C[C@H](CC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000136646329 335076759 /nfs/dbraw/zinc/07/67/59/335076759.db2.gz GNBRYYHOQBYSMD-ZWKOTPCHSA-N 1 1 314.473 3.537 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCNc1cc(C#N)c2ccccc2n1 ZINC000320564223 335083846 /nfs/dbraw/zinc/08/38/46/335083846.db2.gz KVRHRVYHWFRORO-HNNXBMFYSA-N 1 1 308.429 3.783 20 30 DHEDMO C=C[C@H](CC(=O)NCCCNc1ccc(C)c[nH+]1)c1ccccc1 ZINC000535375433 435329999 /nfs/dbraw/zinc/32/99/99/435329999.db2.gz GPPQHQIDWXZHOT-QGZVFWFLSA-N 1 1 323.440 3.668 20 30 DHEDMO Cc1ccc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1C#N ZINC000615697666 435361923 /nfs/dbraw/zinc/36/19/23/435361923.db2.gz XVQWIIJENXDAMZ-SFHVURJKSA-N 1 1 320.440 3.586 20 30 DHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@]2(C#N)C[C@@H]2C)c1 ZINC000448728529 332811165 /nfs/dbraw/zinc/81/11/65/332811165.db2.gz HESQYGPQPZIKAD-IFXJQAMLSA-N 1 1 322.412 3.543 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](C)[C@H]2C)cc1OCCCC#N ZINC000091860320 332113558 /nfs/dbraw/zinc/11/35/58/332113558.db2.gz XEUASZIHFKELJC-HUUCEWRRSA-N 1 1 302.418 3.608 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2c2cccc(C)c2C)C1=O ZINC000410387392 332122541 /nfs/dbraw/zinc/12/25/41/332122541.db2.gz NGCFEQCCDJZDNG-MOPGFXCFSA-N 1 1 312.457 3.617 20 30 DHEDMO N#Cc1cnc(C[N@@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)nc1 ZINC000569559807 332137837 /nfs/dbraw/zinc/13/78/37/332137837.db2.gz KPDUHRSAPCIJGM-GNISGLHKSA-N 1 1 318.424 3.806 20 30 DHEDMO N#Cc1cnc(C[N@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)nc1 ZINC000569559807 332137838 /nfs/dbraw/zinc/13/78/38/332137838.db2.gz KPDUHRSAPCIJGM-GNISGLHKSA-N 1 1 318.424 3.806 20 30 DHEDMO CC1(C)[C@@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@@H]21 ZINC000093661002 332141222 /nfs/dbraw/zinc/14/12/22/332141222.db2.gz XSUKOEVGZVGCDN-HDICACEKSA-N 1 1 320.440 3.552 20 30 DHEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@]3(C#N)C[C@@H]3C)c2C1 ZINC000410433403 332143697 /nfs/dbraw/zinc/14/36/97/332143697.db2.gz LLFQHWQHERSVNW-IFXJQAMLSA-N 1 1 311.429 3.537 20 30 DHEDMO C=CCC[C@H](C(=O)NCC[N@H+](CC)C(C)C)c1ccccc1 ZINC000426826131 332158186 /nfs/dbraw/zinc/15/81/86/332158186.db2.gz CXJCFHGVRHZOPQ-SFHVURJKSA-N 1 1 302.462 3.583 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000181050022 332173343 /nfs/dbraw/zinc/17/33/43/332173343.db2.gz KNHVNNRKXQUVEL-UHFFFAOYSA-N 1 1 324.424 3.955 20 30 DHEDMO C=CC[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000427234906 332186063 /nfs/dbraw/zinc/18/60/63/332186063.db2.gz QMJVISOEGIKMAU-RBUKOAKNSA-N 1 1 314.473 3.679 20 30 DHEDMO C=C(C)C[N@@H+](C)Cc1csc(-c2cccc(C(=O)OC)c2)n1 ZINC000181254106 332188403 /nfs/dbraw/zinc/18/84/03/332188403.db2.gz XBQHFIVUHIAFGW-UHFFFAOYSA-N 1 1 316.426 3.605 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1csc(-c2cccc(C(=O)OC)c2)n1 ZINC000181254106 332188404 /nfs/dbraw/zinc/18/84/04/332188404.db2.gz XBQHFIVUHIAFGW-UHFFFAOYSA-N 1 1 316.426 3.605 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000150900977 332198037 /nfs/dbraw/zinc/19/80/37/332198037.db2.gz WLOFEIBSHDCUQP-CQSZACIVSA-N 1 1 317.433 3.773 20 30 DHEDMO Cc1ccc(C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)cn1 ZINC000363669989 332216050 /nfs/dbraw/zinc/21/60/50/332216050.db2.gz FWUFXQZAGLNIQL-UHFFFAOYSA-N 1 1 309.388 3.780 20 30 DHEDMO Cc1ccc(C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)cn1 ZINC000363697253 332224606 /nfs/dbraw/zinc/22/46/06/332224606.db2.gz SXPSHMGCZBSLLI-UHFFFAOYSA-N 1 1 309.388 3.780 20 30 DHEDMO N#CCCCC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000102398071 332225406 /nfs/dbraw/zinc/22/54/06/332225406.db2.gz GKJYJKUGTCJWLK-HNNXBMFYSA-N 1 1 323.234 3.516 20 30 DHEDMO N#CCCCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000102398071 332225409 /nfs/dbraw/zinc/22/54/09/332225409.db2.gz GKJYJKUGTCJWLK-HNNXBMFYSA-N 1 1 323.234 3.516 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000292881956 335097018 /nfs/dbraw/zinc/09/70/18/335097018.db2.gz SUHGMKQRNGELRK-FUHWJXTLSA-N 1 1 314.473 3.616 20 30 DHEDMO N#CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000555709536 332265503 /nfs/dbraw/zinc/26/55/03/332265503.db2.gz GYKNOZITYKOKNZ-UHFFFAOYSA-N 1 1 313.382 3.717 20 30 DHEDMO N#CC1(C[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)CC1 ZINC000343328776 335099557 /nfs/dbraw/zinc/09/95/57/335099557.db2.gz ZEKYFUKFEDAVBG-UHFFFAOYSA-N 1 1 320.436 3.764 20 30 DHEDMO N#CC1(C[N@H+](CCCO)C(c2ccccc2)c2ccccc2)CC1 ZINC000343328776 335099559 /nfs/dbraw/zinc/09/95/59/335099559.db2.gz ZEKYFUKFEDAVBG-UHFFFAOYSA-N 1 1 320.436 3.764 20 30 DHEDMO N#Cc1cccc(C[NH2+]Cc2nc(-c3ccccc3)cs2)c1 ZINC000048782884 332304873 /nfs/dbraw/zinc/30/48/73/332304873.db2.gz QBHGVBRYVORTLP-UHFFFAOYSA-N 1 1 305.406 3.972 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000152803961 332329510 /nfs/dbraw/zinc/32/95/10/332329510.db2.gz WEPIUCYRCQHFDB-WBVHZDCISA-N 1 1 323.358 3.558 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cnc3ccsc3c2)CC1 ZINC000153023253 332339305 /nfs/dbraw/zinc/33/93/05/332339305.db2.gz LENOBYGWMCEZMG-CQSZACIVSA-N 1 1 315.486 3.987 20 30 DHEDMO C[C@H](CC#N)[N@H+](C)Cc1cc(Br)cc2cccnc21 ZINC000119386179 332370849 /nfs/dbraw/zinc/37/08/49/332370849.db2.gz UWLKMLRJLBJNRQ-LLVKDONJSA-N 1 1 318.218 3.731 20 30 DHEDMO C[C@H](CC#N)[N@@H+](C)Cc1cc(Br)cc2cccnc21 ZINC000119386179 332370851 /nfs/dbraw/zinc/37/08/51/332370851.db2.gz UWLKMLRJLBJNRQ-LLVKDONJSA-N 1 1 318.218 3.731 20 30 DHEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccccc1)c1ccc(F)c(F)c1 ZINC000187782011 332469675 /nfs/dbraw/zinc/46/96/75/332469675.db2.gz CXYXMAYBIQCMSF-SFHVURJKSA-N 1 1 316.351 3.810 20 30 DHEDMO N#CCC[N@@H+](Cc1cccc(OCC(F)(F)F)c1)CC1CC1 ZINC000174692610 333089376 /nfs/dbraw/zinc/08/93/76/333089376.db2.gz XFCBNPYXWQEWMY-UHFFFAOYSA-N 1 1 312.335 3.753 20 30 DHEDMO N#CCC[N@H+](Cc1cccc(OCC(F)(F)F)c1)CC1CC1 ZINC000174692610 333089378 /nfs/dbraw/zinc/08/93/78/333089378.db2.gz XFCBNPYXWQEWMY-UHFFFAOYSA-N 1 1 312.335 3.753 20 30 DHEDMO CC(C)[N@H+]1CC[C@H](CNc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000387726567 333165957 /nfs/dbraw/zinc/16/59/57/333165957.db2.gz OEDMINSDEJXXDB-GFCCVEGCSA-N 1 1 311.351 3.719 20 30 DHEDMO C=CC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000294632412 335126765 /nfs/dbraw/zinc/12/67/65/335126765.db2.gz OJWCVUWSUYKIJR-AYHJJNSGSA-N 1 1 312.457 3.510 20 30 DHEDMO Cc1cccc(N(CCC#N)C(=O)Cn2cc[nH+]c2C(C)C)c1C ZINC000182805795 333180441 /nfs/dbraw/zinc/18/04/41/333180441.db2.gz ZRIHHJFORZKYKX-UHFFFAOYSA-N 1 1 324.428 3.570 20 30 DHEDMO C=CC(C)(C)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000294748532 335127150 /nfs/dbraw/zinc/12/71/50/335127150.db2.gz YTOPLTKOCZKSKT-UHFFFAOYSA-N 1 1 314.473 3.569 20 30 DHEDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000183729773 333187284 /nfs/dbraw/zinc/18/72/84/333187284.db2.gz OVPKPTPUZKVZSP-INIZCTEOSA-N 1 1 308.429 3.624 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000184246790 333194175 /nfs/dbraw/zinc/19/41/75/333194175.db2.gz ROKKPUJZSNIEDA-GOSISDBHSA-N 1 1 300.446 3.650 20 30 DHEDMO Cc1cccc(CC[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1 ZINC000563061534 333227388 /nfs/dbraw/zinc/22/73/88/333227388.db2.gz LMUNOSAHIGLMSN-UHFFFAOYSA-N 1 1 303.409 3.594 20 30 DHEDMO COC[C@@H]1CCCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000364131199 333243582 /nfs/dbraw/zinc/24/35/82/333243582.db2.gz ZCMBHOXJKYBZLS-MRXNPFEDSA-N 1 1 300.446 3.736 20 30 DHEDMO N#Cc1cc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000310563017 333254190 /nfs/dbraw/zinc/25/41/90/333254190.db2.gz WKAYFBVFLJMNAP-SFHVURJKSA-N 1 1 320.440 3.667 20 30 DHEDMO CC[N@H+](CC(=O)Nc1ccc(C)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593715 333267398 /nfs/dbraw/zinc/26/73/98/333267398.db2.gz HSXHSWMXQXAQPS-INIZCTEOSA-N 1 1 321.424 3.888 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccc(C)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593715 333267400 /nfs/dbraw/zinc/26/74/00/333267400.db2.gz HSXHSWMXQXAQPS-INIZCTEOSA-N 1 1 321.424 3.888 20 30 DHEDMO C=CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000364180517 333268074 /nfs/dbraw/zinc/26/80/74/333268074.db2.gz IFPFRKHSWDZUPX-MOPGFXCFSA-N 1 1 312.457 3.608 20 30 DHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000319693123 333397399 /nfs/dbraw/zinc/39/73/99/333397399.db2.gz LJBVUZJINIDIPZ-AEFFLSMTSA-N 1 1 311.429 3.541 20 30 DHEDMO CC(C)C[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CCCC1 ZINC000390853805 333399970 /nfs/dbraw/zinc/39/99/70/333399970.db2.gz HUNPHHOMXJUMJQ-UHFFFAOYSA-N 1 1 313.445 3.787 20 30 DHEDMO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]CCC#N)cc1OC ZINC000411458851 333674198 /nfs/dbraw/zinc/67/41/98/333674198.db2.gz RDOKBNNUHTZTMS-GOSISDBHSA-N 1 1 324.424 3.799 20 30 DHEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343530766 335175269 /nfs/dbraw/zinc/17/52/69/335175269.db2.gz DCIOVNKCIOGHMP-OXQOHEQNSA-N 1 1 306.409 3.715 20 30 DHEDMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343530746 335175320 /nfs/dbraw/zinc/17/53/20/335175320.db2.gz DCIOVNKCIOGHMP-JXFKEZNVSA-N 1 1 306.409 3.715 20 30 DHEDMO C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000278501228 334096985 /nfs/dbraw/zinc/09/69/85/334096985.db2.gz AGOOQNDFMMESSV-WOJBJXKFSA-N 1 1 311.473 3.523 20 30 DHEDMO C[N@@H+](Cc1cc(Br)ccc1F)[C@H]1CC[C@H](C#N)C1 ZINC000278727376 334100504 /nfs/dbraw/zinc/10/05/04/334100504.db2.gz VNJIHIGPZDKIMY-GWCFXTLKSA-N 1 1 311.198 3.712 20 30 DHEDMO N#C[C@H]1CC[C@@H]([NH+]2CCN(Cc3cccc4ccccc43)CC2)C1 ZINC000278753006 334100761 /nfs/dbraw/zinc/10/07/61/334100761.db2.gz XEWIXJWZELDGCG-FXAWDEMLSA-N 1 1 319.452 3.650 20 30 DHEDMO COC(=O)c1coc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000278898712 334103320 /nfs/dbraw/zinc/10/33/20/334103320.db2.gz ZGDCDNKZGSFZAY-BBRMVZONSA-N 1 1 312.369 3.762 20 30 DHEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000280661621 334119086 /nfs/dbraw/zinc/11/90/86/334119086.db2.gz ZYIHBJMTWBZHPU-IBGZPJMESA-N 1 1 300.446 3.879 20 30 DHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(Cl)cc1 ZINC000281955580 334129972 /nfs/dbraw/zinc/12/99/72/334129972.db2.gz JWRAQUYZDVKUIN-UHFFFAOYSA-N 1 1 306.837 3.872 20 30 DHEDMO N#CC1(CCC[N@H+]2CCC=C(c3ccccc3)C2)CCOCC1 ZINC000284681536 334144265 /nfs/dbraw/zinc/14/42/65/334144265.db2.gz HBGIHFYRAWTFKI-UHFFFAOYSA-N 1 1 310.441 3.876 20 30 DHEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1c(F)cncc1F ZINC000285760134 334149906 /nfs/dbraw/zinc/14/99/06/334149906.db2.gz SOLDARKETWAWIW-NWDGAFQWSA-N 1 1 317.339 3.674 20 30 DHEDMO N#CCCCC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000340286829 334160655 /nfs/dbraw/zinc/16/06/55/334160655.db2.gz JOZAKWOBAJGITJ-CQSZACIVSA-N 1 1 308.223 3.675 20 30 DHEDMO N#CCCCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000340286829 334160656 /nfs/dbraw/zinc/16/06/56/334160656.db2.gz JOZAKWOBAJGITJ-CQSZACIVSA-N 1 1 308.223 3.675 20 30 DHEDMO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](CC(C)(C)CCC#N)C2 ZINC000343671024 335181476 /nfs/dbraw/zinc/18/14/76/335181476.db2.gz DTKYNKJGVIFSIS-HNAYVOBHSA-N 1 1 320.477 3.760 20 30 DHEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000295078791 334217660 /nfs/dbraw/zinc/21/76/60/334217660.db2.gz RSUZMPUHJHVACO-ZWNOBZJWSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000295078791 334217661 /nfs/dbraw/zinc/21/76/61/334217661.db2.gz RSUZMPUHJHVACO-ZWNOBZJWSA-N 1 1 300.299 3.860 20 30 DHEDMO CC(C)(C)N1CC[C@@H]([NH2+]CCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000298628342 334250237 /nfs/dbraw/zinc/25/02/37/334250237.db2.gz VNTXBXYSAYTGNL-HZPDHXFCSA-N 1 1 323.843 3.896 20 30 DHEDMO CCCCCCCC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000298964119 334252087 /nfs/dbraw/zinc/25/20/87/334252087.db2.gz JXCQUCSEORGVPL-UHFFFAOYSA-N 1 1 314.433 3.552 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000187731063 334270018 /nfs/dbraw/zinc/27/00/18/334270018.db2.gz MVYOGWUQIZLOHJ-QGZVFWFLSA-N 1 1 305.425 3.832 20 30 DHEDMO COC(=O)c1cccc(C[N@H+](Cc2ccccc2)C(C)C)c1C#N ZINC000534490632 334277236 /nfs/dbraw/zinc/27/72/36/334277236.db2.gz HOKXPAGEXIEMFH-UHFFFAOYSA-N 1 1 322.408 3.755 20 30 DHEDMO COC(=O)c1cccc(C[N@@H+](Cc2ccccc2)C(C)C)c1C#N ZINC000534490632 334277238 /nfs/dbraw/zinc/27/72/38/334277238.db2.gz HOKXPAGEXIEMFH-UHFFFAOYSA-N 1 1 322.408 3.755 20 30 DHEDMO CC(C)[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 ZINC000110791077 334295289 /nfs/dbraw/zinc/29/52/89/334295289.db2.gz XELWAIQTVFZNLP-UHFFFAOYSA-N 1 1 319.836 3.803 20 30 DHEDMO C=CC1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000111258560 334314291 /nfs/dbraw/zinc/31/42/91/334314291.db2.gz RCNCMNBLBBQVHS-LLVKDONJSA-N 1 1 310.800 3.704 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000341998801 334499796 /nfs/dbraw/zinc/49/97/96/334499796.db2.gz VQFFFCBSWLRORH-DYVFJYSZSA-N 1 1 324.415 3.819 20 30 DHEDMO C=CCOc1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)cc1OC ZINC000443858721 338462010 /nfs/dbraw/zinc/46/20/10/338462010.db2.gz RBFOTSCMKGUAEQ-UHFFFAOYSA-N 1 1 319.445 3.649 20 30 DHEDMO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccccc1Br ZINC000189582108 334902291 /nfs/dbraw/zinc/90/22/91/334902291.db2.gz PVXVZZKSRLWTTH-NSHDSACASA-N 1 1 318.218 3.510 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1 ZINC000343699806 335189160 /nfs/dbraw/zinc/18/91/60/335189160.db2.gz VNLRDCASFFMWBK-LJQANCHMSA-N 1 1 316.408 3.549 20 30 DHEDMO COc1cc(C[N@@H+](Cc2ccc(CC#N)cc2)C2CC2)ccc1O ZINC000343752253 335190703 /nfs/dbraw/zinc/19/07/03/335190703.db2.gz QQGSXCUYPWPZRH-UHFFFAOYSA-N 1 1 322.408 3.631 20 30 DHEDMO CN(C)c1ccccc1C[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000344066891 335214774 /nfs/dbraw/zinc/21/47/74/335214774.db2.gz IBSXDOSDGCKXQA-UHFFFAOYSA-N 1 1 323.440 3.525 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1nc2c(s1)CCCC2 ZINC000344534128 335255589 /nfs/dbraw/zinc/25/55/89/335255589.db2.gz RFMIFYSXDHDJIK-SNVBAGLBSA-N 1 1 303.456 3.806 20 30 DHEDMO C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000346093001 335374324 /nfs/dbraw/zinc/37/43/24/335374324.db2.gz ZTFOATRZEUVCLE-GJZGRUSLSA-N 1 1 303.425 3.612 20 30 DHEDMO Cc1ccc2[nH]c(C[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)nc2c1 ZINC000346159569 335383709 /nfs/dbraw/zinc/38/37/09/335383709.db2.gz HSKIQZPBYMOHPD-LBPRGKRZSA-N 1 1 308.360 3.733 20 30 DHEDMO Cc1ccc2nc(C[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)[nH]c2c1 ZINC000346159569 335383710 /nfs/dbraw/zinc/38/37/10/335383710.db2.gz HSKIQZPBYMOHPD-LBPRGKRZSA-N 1 1 308.360 3.733 20 30 DHEDMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000350463670 335755181 /nfs/dbraw/zinc/75/51/81/335755181.db2.gz VHNQQWRNSNVRJC-DOMZBBRYSA-N 1 1 300.793 3.512 20 30 DHEDMO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000192159196 336020223 /nfs/dbraw/zinc/02/02/23/336020223.db2.gz WTVRMIVFACQAER-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO CCC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(F)cc1 ZINC000351602045 336048727 /nfs/dbraw/zinc/04/87/27/336048727.db2.gz JYPZRNJJAUATQY-UHFFFAOYSA-N 1 1 322.387 3.757 20 30 DHEDMO CC[N@H+](Cc1cc(C#N)cs1)Cc1ccc(OC)cc1OC ZINC000351623353 336052310 /nfs/dbraw/zinc/05/23/10/336052310.db2.gz PMGULELXWNUNLQ-UHFFFAOYSA-N 1 1 316.426 3.659 20 30 DHEDMO CC[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(OC)cc1OC ZINC000351623353 336052311 /nfs/dbraw/zinc/05/23/11/336052311.db2.gz PMGULELXWNUNLQ-UHFFFAOYSA-N 1 1 316.426 3.659 20 30 DHEDMO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000351782278 336068816 /nfs/dbraw/zinc/06/88/16/336068816.db2.gz POFPWWGRSXIGFM-LBPRGKRZSA-N 1 1 317.339 3.748 20 30 DHEDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000351782278 336068817 /nfs/dbraw/zinc/06/88/17/336068817.db2.gz POFPWWGRSXIGFM-LBPRGKRZSA-N 1 1 317.339 3.748 20 30 DHEDMO N#CCCCC[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000331635189 336142743 /nfs/dbraw/zinc/14/27/43/336142743.db2.gz INTPKHGLRUNLDF-MRXNPFEDSA-N 1 1 315.465 3.726 20 30 DHEDMO N#CCCCC[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000331635189 336142744 /nfs/dbraw/zinc/14/27/44/336142744.db2.gz INTPKHGLRUNLDF-MRXNPFEDSA-N 1 1 315.465 3.726 20 30 DHEDMO N#CCCCC[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000331635189 336142745 /nfs/dbraw/zinc/14/27/45/336142745.db2.gz INTPKHGLRUNLDF-MRXNPFEDSA-N 1 1 315.465 3.726 20 30 DHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC2(CCCC2)C1 ZINC000333753117 336209522 /nfs/dbraw/zinc/20/95/22/336209522.db2.gz TZRQITJJWCCGNX-OAHLLOKOSA-N 1 1 311.429 3.541 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000352331298 336212827 /nfs/dbraw/zinc/21/28/27/336212827.db2.gz PXJMHAHGBQGJMH-UHFFFAOYSA-N 1 1 308.429 3.560 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(C(=O)OC)c(C)o1 ZINC000352754455 336235019 /nfs/dbraw/zinc/23/50/19/336235019.db2.gz IKEPSXPWWIGSEG-UHFFFAOYSA-N 1 1 313.397 3.605 20 30 DHEDMO Cc1c[nH]nc1C[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000352792482 336236939 /nfs/dbraw/zinc/23/69/39/336236939.db2.gz AWXNTVLGIPUXFV-UHFFFAOYSA-N 1 1 302.381 3.547 20 30 DHEDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CCCCC1 ZINC000103479106 336241234 /nfs/dbraw/zinc/24/12/34/336241234.db2.gz QUNSDYVPOYEENM-UHFFFAOYSA-N 1 1 313.445 3.930 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000532414616 336245639 /nfs/dbraw/zinc/24/56/39/336245639.db2.gz PGHNIOMKZCSEQK-AWEZNQCLSA-N 1 1 308.853 3.757 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000532414911 336245669 /nfs/dbraw/zinc/24/56/69/336245669.db2.gz QSBNTNAOHFAXPH-INIZCTEOSA-N 1 1 308.491 3.850 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(F)c(F)c1 ZINC000352820090 336255708 /nfs/dbraw/zinc/25/57/08/336255708.db2.gz YIESEXBUCYKJJV-UHFFFAOYSA-N 1 1 307.340 3.628 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(F)c(F)c1 ZINC000352820090 336255709 /nfs/dbraw/zinc/25/57/09/336255709.db2.gz YIESEXBUCYKJJV-UHFFFAOYSA-N 1 1 307.340 3.628 20 30 DHEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000532586462 336256634 /nfs/dbraw/zinc/25/66/34/336256634.db2.gz WMCGWTMUIOERNR-UKRRQHHQSA-N 1 1 319.474 3.849 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000532572976 336256885 /nfs/dbraw/zinc/25/68/85/336256885.db2.gz KOGUMIMWLLFLGL-GOSISDBHSA-N 1 1 300.446 3.685 20 30 DHEDMO CCC(CC)[C@H](CN[C@H](C)c1ccc(OCC#N)cc1)[NH+](C)C ZINC000192953910 336285934 /nfs/dbraw/zinc/28/59/34/336285934.db2.gz KENVTQXYWFYAKP-BEFAXECRSA-N 1 1 317.477 3.606 20 30 DHEDMO N#Cc1ccc(NCCc2[nH+]ccn2Cc2ccccc2)c(F)c1 ZINC000301170377 336293161 /nfs/dbraw/zinc/29/31/61/336293161.db2.gz WVEDXZMGQZRBAD-UHFFFAOYSA-N 1 1 320.371 3.597 20 30 DHEDMO C[N@H+]1CCC[C@H](CNc2cccc(C#N)n2)[C@H]1c1cccs1 ZINC000301438506 336306811 /nfs/dbraw/zinc/30/68/11/336306811.db2.gz STXJOUZSXQHSEA-DYVFJYSZSA-N 1 1 312.442 3.510 20 30 DHEDMO N#Cc1cc(Cl)ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000301788500 336329896 /nfs/dbraw/zinc/32/98/96/336329896.db2.gz PUPWHBPERDRCLF-FZKQIMNGSA-N 1 1 315.848 3.665 20 30 DHEDMO C[C@H](CNc1ccc2cc(C#N)ccc2n1)[N@H+]1CCC[C@H](C)C1 ZINC000301975725 336340903 /nfs/dbraw/zinc/34/09/03/336340903.db2.gz LWKXPFMNGCDRGY-LSDHHAIUSA-N 1 1 308.429 3.639 20 30 DHEDMO CC1=CC[N@@H+](CCNc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000302440899 336358847 /nfs/dbraw/zinc/35/88/47/336358847.db2.gz RICZDFOPPKDNNK-UHFFFAOYSA-N 1 1 309.335 3.641 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](O)CCC(C)C ZINC000352921876 336377224 /nfs/dbraw/zinc/37/72/24/336377224.db2.gz LYWOHSOWSSALRN-GOSISDBHSA-N 1 1 307.482 3.639 20 30 DHEDMO COc1cccc(C2=CC[N@H+](Cc3ccccc3C#N)CC2)c1 ZINC000352976128 336380856 /nfs/dbraw/zinc/38/08/56/336380856.db2.gz JFJVPRRPTXXDGP-UHFFFAOYSA-N 1 1 304.393 3.856 20 30 DHEDMO COc1cccc(C2=CC[N@@H+](Cc3ccccc3C#N)CC2)c1 ZINC000352976128 336380857 /nfs/dbraw/zinc/38/08/57/336380857.db2.gz JFJVPRRPTXXDGP-UHFFFAOYSA-N 1 1 304.393 3.856 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2ccc(Br)cc2)CC1 ZINC000106246003 336389118 /nfs/dbraw/zinc/38/91/18/336389118.db2.gz MDLUBOHZHUROJL-UHFFFAOYSA-N 1 1 323.278 3.579 20 30 DHEDMO Cc1ccc(OC2CC[NH+](Cc3ccc(C#N)s3)CC2)cc1 ZINC000121815932 336980830 /nfs/dbraw/zinc/98/08/30/336980830.db2.gz JNUTTYWASPNIRD-UHFFFAOYSA-N 1 1 312.438 3.972 20 30 DHEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000374481169 336990181 /nfs/dbraw/zinc/99/01/81/336990181.db2.gz LZJUKISUGPWPGW-UHFFFAOYSA-N 1 1 309.388 3.547 20 30 DHEDMO COC[C@H]1CCCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000375096187 337003239 /nfs/dbraw/zinc/00/32/39/337003239.db2.gz CMLKAZJHDNTLKV-SFHVURJKSA-N 1 1 316.445 3.618 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000375402663 337010526 /nfs/dbraw/zinc/01/05/26/337010526.db2.gz ICJGVRJQKHCIQU-IBGZPJMESA-N 1 1 300.446 3.954 20 30 DHEDMO N#CC1(CCC[N@@H+]2CC=C(c3ccccc3)CC2)CCOCC1 ZINC000375605278 337014380 /nfs/dbraw/zinc/01/43/80/337014380.db2.gz CFDZYRCYJKVKAC-UHFFFAOYSA-N 1 1 310.441 3.876 20 30 DHEDMO N#Cc1ccccc1C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000375953030 337024209 /nfs/dbraw/zinc/02/42/09/337024209.db2.gz FRKWFCIHXGDPJL-UHFFFAOYSA-N 1 1 311.816 3.986 20 30 DHEDMO N#Cc1c(F)ccc(C[N@@H+]2CCC[C@@]3(CCCCO3)C2)c1Cl ZINC000376026509 337025595 /nfs/dbraw/zinc/02/55/95/337025595.db2.gz AXTZDRIHCNFZJQ-KRWDZBQOSA-N 1 1 322.811 3.886 20 30 DHEDMO N#Cc1c(F)ccc(C[N@H+]2CCC[C@@]3(CCCCO3)C2)c1Cl ZINC000376026509 337025596 /nfs/dbraw/zinc/02/55/96/337025596.db2.gz AXTZDRIHCNFZJQ-KRWDZBQOSA-N 1 1 322.811 3.886 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@]3(CCCCO3)C2)cc1 ZINC000376116949 337027486 /nfs/dbraw/zinc/02/74/86/337027486.db2.gz RIDOMXCWXHZPIM-VQIMIIECSA-N 1 1 314.429 3.513 20 30 DHEDMO C=CC[C@H](CC)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000376382570 337032357 /nfs/dbraw/zinc/03/23/57/337032357.db2.gz FBWXAVQDOVXHSF-HOTGVXAUSA-N 1 1 318.465 3.535 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000376382569 337032370 /nfs/dbraw/zinc/03/23/70/337032370.db2.gz FBWXAVQDOVXHSF-CVEARBPZSA-N 1 1 318.465 3.535 20 30 DHEDMO N#Cc1cc(NCc2c[nH+]c3n2CCCC3)ccc1C(F)(F)F ZINC000376474088 337034173 /nfs/dbraw/zinc/03/41/73/337034173.db2.gz JHQYCJYWLJGVRQ-UHFFFAOYSA-N 1 1 320.318 3.722 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000376957590 337044304 /nfs/dbraw/zinc/04/43/04/337044304.db2.gz XGWMMXHQBUWBRG-PKOBYXMFSA-N 1 1 314.473 3.617 20 30 DHEDMO C=CCCCCCCNC(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000377005945 337045155 /nfs/dbraw/zinc/04/51/55/337045155.db2.gz GYRAKDHEJSUYAP-KRWDZBQOSA-N 1 1 321.509 3.781 20 30 DHEDMO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000377308813 337050319 /nfs/dbraw/zinc/05/03/19/337050319.db2.gz NIARQRZPBVBAHE-KRWDZBQOSA-N 1 1 301.340 3.512 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1C#N ZINC000377308813 337050320 /nfs/dbraw/zinc/05/03/20/337050320.db2.gz NIARQRZPBVBAHE-KRWDZBQOSA-N 1 1 301.340 3.512 20 30 DHEDMO CCCCCCC[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000377407686 337052155 /nfs/dbraw/zinc/05/21/55/337052155.db2.gz BBUBYEGZUZCEFF-DOTOQJQBSA-N 1 1 319.493 3.867 20 30 DHEDMO CC(C)c1nccn1C[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000377713378 337059409 /nfs/dbraw/zinc/05/94/09/337059409.db2.gz WHFGDZZGJUKIPP-SFHVURJKSA-N 1 1 308.429 3.543 20 30 DHEDMO Cn1cc([C@H]2CC[N@@H+](CCCSCC#N)C2)c2ccccc21 ZINC000377930625 337064159 /nfs/dbraw/zinc/06/41/59/337064159.db2.gz DWDYBGDPOOUJSD-HNNXBMFYSA-N 1 1 313.470 3.614 20 30 DHEDMO CC[N@H+](Cc1nc(-c2ccoc2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000170938976 337085408 /nfs/dbraw/zinc/08/54/08/337085408.db2.gz CMJXGHIQTKWQBL-CYBMUJFWSA-N 1 1 322.368 3.784 20 30 DHEDMO CC[N@@H+](Cc1nc(-c2ccoc2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000170938976 337085409 /nfs/dbraw/zinc/08/54/09/337085409.db2.gz CMJXGHIQTKWQBL-CYBMUJFWSA-N 1 1 322.368 3.784 20 30 DHEDMO C[C@H](C[N@@H+](Cc1cc(C#N)cs1)[C@@H](C)CO)c1ccccc1 ZINC000582718699 337124633 /nfs/dbraw/zinc/12/46/33/337124633.db2.gz ZGBASNRAQQEJGB-CABCVRRESA-N 1 1 314.454 3.606 20 30 DHEDMO COc1cc(C[N@H+](C)CC#Cc2cccc(Cl)c2)ccc1O ZINC000178972350 337166378 /nfs/dbraw/zinc/16/63/78/337166378.db2.gz JIKLNKVDZCOXER-UHFFFAOYSA-N 1 1 315.800 3.538 20 30 DHEDMO COc1cc(C[N@@H+](C)CC#Cc2cccc(Cl)c2)ccc1O ZINC000178972350 337166379 /nfs/dbraw/zinc/16/63/79/337166379.db2.gz JIKLNKVDZCOXER-UHFFFAOYSA-N 1 1 315.800 3.538 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000582789149 337166412 /nfs/dbraw/zinc/16/64/12/337166412.db2.gz SJGZKSKZVALETK-SCLBCKFNSA-N 1 1 307.353 3.659 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000582789149 337166413 /nfs/dbraw/zinc/16/64/13/337166413.db2.gz SJGZKSKZVALETK-SCLBCKFNSA-N 1 1 307.353 3.659 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000179934856 337172653 /nfs/dbraw/zinc/17/26/53/337172653.db2.gz XATMCLDRYAGBGZ-MRXNPFEDSA-N 1 1 314.429 3.513 20 30 DHEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000181244836 337180517 /nfs/dbraw/zinc/18/05/17/337180517.db2.gz SVTODIWDTYREGE-UHFFFAOYSA-N 1 1 315.442 3.565 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000181244836 337180518 /nfs/dbraw/zinc/18/05/18/337180518.db2.gz SVTODIWDTYREGE-UHFFFAOYSA-N 1 1 315.442 3.565 20 30 DHEDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)c1 ZINC000582973115 337224781 /nfs/dbraw/zinc/22/47/81/337224781.db2.gz OPLGRJBPOKYMRX-INIZCTEOSA-N 1 1 311.816 3.905 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000185661015 337249914 /nfs/dbraw/zinc/24/99/14/337249914.db2.gz BQMGYPCUYJNHBP-UXLLHSPISA-N 1 1 320.502 3.850 20 30 DHEDMO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000186566616 337257653 /nfs/dbraw/zinc/25/76/53/337257653.db2.gz OTPGHWBIITWQIP-UHFFFAOYSA-N 1 1 322.387 3.609 20 30 DHEDMO C[C@H]1CCCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000187910832 337268733 /nfs/dbraw/zinc/26/87/33/337268733.db2.gz ALXMDIWEHSMTSU-INIZCTEOSA-N 1 1 323.440 3.860 20 30 DHEDMO CC(C)C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CCCC1 ZINC000321727826 337285596 /nfs/dbraw/zinc/28/55/96/337285596.db2.gz IKKABNSNDTYTKH-UHFFFAOYSA-N 1 1 313.445 3.787 20 30 DHEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191382869 337296392 /nfs/dbraw/zinc/29/63/92/337296392.db2.gz KWNNIIVHJZTYDG-CYBMUJFWSA-N 1 1 301.821 3.613 20 30 DHEDMO N#Cc1ccc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1F ZINC000192064970 337302323 /nfs/dbraw/zinc/30/23/23/337302323.db2.gz QCJGNKWXRODTGB-LJQANCHMSA-N 1 1 324.399 3.531 20 30 DHEDMO Cc1csc([C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C2CC2)n1 ZINC000192165269 337303661 /nfs/dbraw/zinc/30/36/61/337303661.db2.gz YIHPAGZYFQKOIQ-OAHLLOKOSA-N 1 1 301.390 3.703 20 30 DHEDMO COCCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000193498245 337326749 /nfs/dbraw/zinc/32/67/49/337326749.db2.gz SBOFFWOFZMWEFI-UHFFFAOYSA-N 1 1 312.388 3.736 20 30 DHEDMO C[N@@H+](CCSCc1ccc(C#N)s1)Cc1ccccc1 ZINC000583763235 337331443 /nfs/dbraw/zinc/33/14/43/337331443.db2.gz UIXCANLTSBGRHF-UHFFFAOYSA-N 1 1 302.468 3.985 20 30 DHEDMO CCn1c2ccccc2nc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000584544445 337358259 /nfs/dbraw/zinc/35/82/59/337358259.db2.gz CVLXBLYEYQGSEV-UHFFFAOYSA-N 1 1 316.408 3.707 20 30 DHEDMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)c(C)c1 ZINC000532929993 337393364 /nfs/dbraw/zinc/39/33/64/337393364.db2.gz CMKVOGAUCDWTHW-MRXNPFEDSA-N 1 1 321.424 3.807 20 30 DHEDMO C#CCOc1ccccc1C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000265220870 337633185 /nfs/dbraw/zinc/63/31/85/337633185.db2.gz TUJGIXIVDWJMHN-UHFFFAOYSA-N 1 1 314.454 3.742 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000426455102 338032559 /nfs/dbraw/zinc/03/25/59/338032559.db2.gz AQPPMSHLURRFRO-GDBMZVCRSA-N 1 1 316.470 3.778 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2C[C@H](C)CCC[C@@H]2C)c(C#N)c1C ZINC000426471867 338033244 /nfs/dbraw/zinc/03/32/44/338033244.db2.gz XKSQWHCLZBTLQM-NEPJUHHUSA-N 1 1 319.474 3.686 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cccc(F)c2C#N)C1 ZINC000428394409 338050071 /nfs/dbraw/zinc/05/00/71/338050071.db2.gz UUZFFMAMPNGIHC-UXLLHSPISA-N 1 1 315.436 3.535 20 30 DHEDMO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)c1ccccc1 ZINC000428851559 338062401 /nfs/dbraw/zinc/06/24/01/338062401.db2.gz RXUDLVLIWRZOTC-LPHOPBHVSA-N 1 1 315.461 3.512 20 30 DHEDMO CC(C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000428874370 338063948 /nfs/dbraw/zinc/06/39/48/338063948.db2.gz ZPBWDABKOBKXLO-INIZCTEOSA-N 1 1 321.424 3.968 20 30 DHEDMO COCC[N@H+](Cc1cccc(F)c1C#N)C[C@H]1CC=CCC1 ZINC000428940294 338065754 /nfs/dbraw/zinc/06/57/54/338065754.db2.gz PPJLPFQWKDRURF-HNNXBMFYSA-N 1 1 302.393 3.502 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000428979192 338067635 /nfs/dbraw/zinc/06/76/35/338067635.db2.gz LRGRWFUIMYPETR-HXUWFJFHSA-N 1 1 322.383 3.667 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000428979192 338067636 /nfs/dbraw/zinc/06/76/36/338067636.db2.gz LRGRWFUIMYPETR-HXUWFJFHSA-N 1 1 322.383 3.667 20 30 DHEDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2Br)C1 ZINC000429555698 338083970 /nfs/dbraw/zinc/08/39/70/338083970.db2.gz BLVKERYGMYTYNM-BXUZGUMPSA-N 1 1 307.235 3.941 20 30 DHEDMO CCC[N@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](C)C(=O)OCC ZINC000429710858 338088148 /nfs/dbraw/zinc/08/81/48/338088148.db2.gz CKXICBPONAQYED-HNNXBMFYSA-N 1 1 316.445 3.651 20 30 DHEDMO CCC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](C)C(=O)OCC ZINC000429710858 338088149 /nfs/dbraw/zinc/08/81/49/338088149.db2.gz CKXICBPONAQYED-HNNXBMFYSA-N 1 1 316.445 3.651 20 30 DHEDMO N#CCCC[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccccc1 ZINC000433019343 338176606 /nfs/dbraw/zinc/17/66/06/338176606.db2.gz NCECTOVUSKUUBF-QGZVFWFLSA-N 1 1 323.444 3.529 20 30 DHEDMO N#Cc1c(F)cccc1C[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000433301310 338190499 /nfs/dbraw/zinc/19/04/99/338190499.db2.gz GKMQDMWIXLTJAS-LJQANCHMSA-N 1 1 324.399 3.691 20 30 DHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](C)c1ccccc1 ZINC000434846627 338226291 /nfs/dbraw/zinc/22/62/91/338226291.db2.gz QQDGXBUKKMIXFG-HNAYVOBHSA-N 1 1 322.408 3.508 20 30 DHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000434846627 338226292 /nfs/dbraw/zinc/22/62/92/338226292.db2.gz QQDGXBUKKMIXFG-HNAYVOBHSA-N 1 1 322.408 3.508 20 30 DHEDMO CC[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)C[C@@H](C)C#N ZINC000155649704 338299096 /nfs/dbraw/zinc/29/90/96/338299096.db2.gz IRPYCCMFKTYIEI-INIZCTEOSA-N 1 1 318.424 3.983 20 30 DHEDMO CC[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)C[C@@H](C)C#N ZINC000155649704 338299097 /nfs/dbraw/zinc/29/90/97/338299097.db2.gz IRPYCCMFKTYIEI-INIZCTEOSA-N 1 1 318.424 3.983 20 30 DHEDMO C[C@@H](C1CC1)[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000437393581 338308792 /nfs/dbraw/zinc/30/87/92/338308792.db2.gz GPZFCVPNYMQZQH-NSHDSACASA-N 1 1 306.356 3.923 20 30 DHEDMO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437434780 338310043 /nfs/dbraw/zinc/31/00/43/338310043.db2.gz NPWGKRCQCNBWFV-LLVKDONJSA-N 1 1 306.312 3.946 20 30 DHEDMO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437434780 338310044 /nfs/dbraw/zinc/31/00/44/338310044.db2.gz NPWGKRCQCNBWFV-LLVKDONJSA-N 1 1 306.312 3.946 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000438482016 338345399 /nfs/dbraw/zinc/34/53/99/338345399.db2.gz ZMTFFAUYCGILBH-DNVCBOLYSA-N 1 1 306.409 3.945 20 30 DHEDMO O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000439011027 338358356 /nfs/dbraw/zinc/35/83/56/338358356.db2.gz ZPRFJWOPYBBKRK-SLFFLAALSA-N 1 1 315.432 3.583 20 30 DHEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(F)cc1 ZINC000439436648 338369433 /nfs/dbraw/zinc/36/94/33/338369433.db2.gz IUUXXYPCLSYGEP-QGZVFWFLSA-N 1 1 318.779 3.828 20 30 DHEDMO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1Br ZINC000450664149 338697006 /nfs/dbraw/zinc/69/70/06/338697006.db2.gz ULFAXBHHIQCXOF-NSHDSACASA-N 1 1 323.234 3.802 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(O)c(OCC)c1 ZINC000459327805 339021988 /nfs/dbraw/zinc/02/19/88/339021988.db2.gz PSWZYFHPWQJJGA-UHFFFAOYSA-N 1 1 322.408 3.851 20 30 DHEDMO C[C@H](C[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000459326976 339022008 /nfs/dbraw/zinc/02/20/08/339022008.db2.gz NVSLAXKDBQZWTN-CQSZACIVSA-N 1 1 309.369 3.702 20 30 DHEDMO C[C@H](C[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000459326976 339022009 /nfs/dbraw/zinc/02/20/09/339022009.db2.gz NVSLAXKDBQZWTN-CQSZACIVSA-N 1 1 309.369 3.702 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](CC3CCC(F)(F)CC3)CCO2)c1 ZINC000459394327 339026819 /nfs/dbraw/zinc/02/68/19/339026819.db2.gz SNXZXIYUFVAAJZ-QGZVFWFLSA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](CC3CCC(F)(F)CC3)CCO2)c1 ZINC000459394327 339026820 /nfs/dbraw/zinc/02/68/20/339026820.db2.gz SNXZXIYUFVAAJZ-QGZVFWFLSA-N 1 1 320.383 3.757 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459559575 339035709 /nfs/dbraw/zinc/03/57/09/339035709.db2.gz LACPZVBLWTUJMI-IFXJQAMLSA-N 1 1 314.429 3.673 20 30 DHEDMO CC(C)C[N@@H+](CC#Cc1ccccc1Cl)Cc1cnn(C)c1 ZINC000459576035 339036970 /nfs/dbraw/zinc/03/69/70/339036970.db2.gz DCTBYSXNUWFMHS-UHFFFAOYSA-N 1 1 315.848 3.583 20 30 DHEDMO CC(C)(CC#N)C[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000459736246 339045307 /nfs/dbraw/zinc/04/53/07/339045307.db2.gz UILDLQQYURJYPK-UHFFFAOYSA-N 1 1 315.442 3.752 20 30 DHEDMO N#Cc1cccc(Cl)c1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462953796 339099000 /nfs/dbraw/zinc/09/90/00/339099000.db2.gz YVNUPUXPYKWUIG-HNNXBMFYSA-N 1 1 303.837 3.888 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOc1ccccc1 ZINC000464837518 339156411 /nfs/dbraw/zinc/15/64/11/339156411.db2.gz XSBMITXEJWRIAO-UXHICEINSA-N 1 1 306.409 3.837 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOc1ccccc1 ZINC000464837518 339156412 /nfs/dbraw/zinc/15/64/12/339156412.db2.gz XSBMITXEJWRIAO-UXHICEINSA-N 1 1 306.409 3.837 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)OC)c(F)c1 ZINC000464866027 339159207 /nfs/dbraw/zinc/15/92/07/339159207.db2.gz BHCAWLWHCWROTD-UHFFFAOYSA-N 1 1 313.372 3.801 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000467289842 339229942 /nfs/dbraw/zinc/22/99/42/339229942.db2.gz FJJBTTCWGKSLMM-LJQANCHMSA-N 1 1 300.446 3.542 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000467297233 339230303 /nfs/dbraw/zinc/23/03/03/339230303.db2.gz FEWQVHLNYLWMLJ-UHFFFAOYSA-N 1 1 308.425 3.724 20 30 DHEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000467329866 339231898 /nfs/dbraw/zinc/23/18/98/339231898.db2.gz DYWFYMRGDNOMHM-LPHOPBHVSA-N 1 1 312.457 3.707 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)c1 ZINC000467552481 339242048 /nfs/dbraw/zinc/24/20/48/339242048.db2.gz WWZAJSLUZIRWGK-IBGZPJMESA-N 1 1 311.429 3.712 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCCO[C@@H](CC)C2)cc1Cl ZINC000467560470 339242477 /nfs/dbraw/zinc/24/24/77/339242477.db2.gz RSRODULDPOWBQA-HNNXBMFYSA-N 1 1 309.837 3.906 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000468107667 339254180 /nfs/dbraw/zinc/25/41/80/339254180.db2.gz GYWCCJLCIVDFMF-HHXXYDBFSA-N 1 1 300.446 3.540 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000468107669 339254190 /nfs/dbraw/zinc/25/41/90/339254190.db2.gz GYWCCJLCIVDFMF-SZVBFZGTSA-N 1 1 300.446 3.540 20 30 DHEDMO C=C(C)CN(CC)C(=O)COc1cc(C)[nH+]c2cc(C)ccc21 ZINC000468322821 339259703 /nfs/dbraw/zinc/25/97/03/339259703.db2.gz VMEBWATZUDUVQH-UHFFFAOYSA-N 1 1 312.413 3.655 20 30 DHEDMO CCC[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000469280008 339284929 /nfs/dbraw/zinc/28/49/29/339284929.db2.gz XVPGIXWGDPLSID-KZNAEPCWSA-N 1 1 316.420 3.723 20 30 DHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000469311228 339285735 /nfs/dbraw/zinc/28/57/35/339285735.db2.gz XHXMODZVNLQXIA-AEFFLSMTSA-N 1 1 314.429 3.530 20 30 DHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000469311228 339285736 /nfs/dbraw/zinc/28/57/36/339285736.db2.gz XHXMODZVNLQXIA-AEFFLSMTSA-N 1 1 314.429 3.530 20 30 DHEDMO CC(C)[N@@H+](CCCC1CCOCC1)Cc1ccc(C#N)cc1 ZINC000469899211 339304112 /nfs/dbraw/zinc/30/41/12/339304112.db2.gz KEICMCYVDMQHSD-UHFFFAOYSA-N 1 1 300.446 3.975 20 30 DHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000470000184 339307949 /nfs/dbraw/zinc/30/79/49/339307949.db2.gz QDWWERASUXGAMT-HNNXBMFYSA-N 1 1 321.346 3.974 20 30 DHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000470000184 339307950 /nfs/dbraw/zinc/30/79/50/339307950.db2.gz QDWWERASUXGAMT-HNNXBMFYSA-N 1 1 321.346 3.974 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2nc3cc(C)ccc3n2C)cc1 ZINC000470541009 339321821 /nfs/dbraw/zinc/32/18/21/339321821.db2.gz CWXZGACCXXNNHI-UHFFFAOYSA-N 1 1 321.424 3.736 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470904390 339330748 /nfs/dbraw/zinc/33/07/48/339330748.db2.gz VJSBLDAAYLAHCH-IBGZPJMESA-N 1 1 324.399 3.879 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470904390 339330749 /nfs/dbraw/zinc/33/07/49/339330749.db2.gz VJSBLDAAYLAHCH-IBGZPJMESA-N 1 1 324.399 3.879 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)nnn2C ZINC000470925833 339331183 /nfs/dbraw/zinc/33/11/83/339331183.db2.gz KUQQOSXAQVUKAU-UHFFFAOYSA-N 1 1 306.413 3.547 20 30 DHEDMO C=C(C)C[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccccc1 ZINC000470922108 339331219 /nfs/dbraw/zinc/33/12/19/339331219.db2.gz FAAGFAAMZIGSHZ-UHFFFAOYSA-N 1 1 324.424 3.712 20 30 DHEDMO C=C(C)C[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccccc1 ZINC000470922108 339331220 /nfs/dbraw/zinc/33/12/20/339331220.db2.gz FAAGFAAMZIGSHZ-UHFFFAOYSA-N 1 1 324.424 3.712 20 30 DHEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000470948609 339332258 /nfs/dbraw/zinc/33/22/58/339332258.db2.gz PVXMUQOKQDOLNC-SMDDNHRTSA-N 1 1 301.739 3.964 20 30 DHEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000470948609 339332259 /nfs/dbraw/zinc/33/22/59/339332259.db2.gz PVXMUQOKQDOLNC-SMDDNHRTSA-N 1 1 301.739 3.964 20 30 DHEDMO C=CCCCCNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000471711826 339351929 /nfs/dbraw/zinc/35/19/29/339351929.db2.gz IWEYGDSNKSIDNQ-UHFFFAOYSA-N 1 1 300.446 3.757 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@]2(CC)CO)cc1Cl ZINC000472614510 339375226 /nfs/dbraw/zinc/37/52/26/339375226.db2.gz RZRMBYNISONSOM-QGZVFWFLSA-N 1 1 309.837 3.642 20 30 DHEDMO C[C@H](CC#N)[N@@H+](C)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000496207819 340000519 /nfs/dbraw/zinc/00/05/19/340000519.db2.gz PWZALGWMEONEPL-BZUAXINKSA-N 1 1 323.481 3.551 20 30 DHEDMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000496344269 340003514 /nfs/dbraw/zinc/00/35/14/340003514.db2.gz KRXCLWITDYVWRA-OAHLLOKOSA-N 1 1 323.481 3.648 20 30 DHEDMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000496344268 340003541 /nfs/dbraw/zinc/00/35/41/340003541.db2.gz KRXCLWITDYVWRA-HNNXBMFYSA-N 1 1 323.481 3.648 20 30 DHEDMO C=CCOc1ccc(CNCC[N@H+]2CCCC[C@H]2CC)cc1 ZINC000500897241 340069450 /nfs/dbraw/zinc/06/94/50/340069450.db2.gz WYXRJPBIFNFPFP-GOSISDBHSA-N 1 1 302.462 3.606 20 30 DHEDMO C=CCOc1ccc(CNCC[N@@H+]2CCCC[C@H]2CC)cc1 ZINC000500897241 340069451 /nfs/dbraw/zinc/06/94/51/340069451.db2.gz WYXRJPBIFNFPFP-GOSISDBHSA-N 1 1 302.462 3.606 20 30 DHEDMO COc1ccc(C#N)cc1N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000500968166 340071092 /nfs/dbraw/zinc/07/10/92/340071092.db2.gz FQTONYCTTRYSMQ-CRAIPNDOSA-N 1 1 321.424 3.814 20 30 DHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1CC(C)C ZINC000501115529 340074606 /nfs/dbraw/zinc/07/46/06/340074606.db2.gz XIFCMPLMZICVOF-RBUKOAKNSA-N 1 1 317.473 3.665 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC000501418931 340080479 /nfs/dbraw/zinc/08/04/79/340080479.db2.gz MJTMKRPSUOFYDM-WBMJQRKESA-N 1 1 324.262 3.523 20 30 DHEDMO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000503037342 340119341 /nfs/dbraw/zinc/11/93/41/340119341.db2.gz XNLIJJIXWQCLBC-KRWDZBQOSA-N 1 1 300.402 3.999 20 30 DHEDMO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000503037342 340119342 /nfs/dbraw/zinc/11/93/42/340119342.db2.gz XNLIJJIXWQCLBC-KRWDZBQOSA-N 1 1 300.402 3.999 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)Cc2cccs2)cc(OC)c1O ZINC000505632003 340173668 /nfs/dbraw/zinc/17/36/68/340173668.db2.gz FSBHCCBUUCUYLE-UHFFFAOYSA-N 1 1 303.427 3.823 20 30 DHEDMO CC(C)CCN(CCC(C)C)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000506042840 340184068 /nfs/dbraw/zinc/18/40/68/340184068.db2.gz ZBZBDLIBGPACDU-UHFFFAOYSA-N 1 1 321.509 3.533 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000506326560 340192243 /nfs/dbraw/zinc/19/22/43/340192243.db2.gz OVQMLHHOKLTEIX-FQEVSTJZSA-N 1 1 309.409 3.825 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000506326560 340192244 /nfs/dbraw/zinc/19/22/44/340192244.db2.gz OVQMLHHOKLTEIX-FQEVSTJZSA-N 1 1 309.409 3.825 20 30 DHEDMO C=CC[NH+]1CCN([C@H](CC)c2ccc(Br)cc2)CC1 ZINC000507872271 340234753 /nfs/dbraw/zinc/23/47/53/340234753.db2.gz IJJUFRQCPZGIFV-MRXNPFEDSA-N 1 1 323.278 3.704 20 30 DHEDMO COCC[N@@H+](C/C=C\c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000508580698 340246931 /nfs/dbraw/zinc/24/69/31/340246931.db2.gz TYGAKASOTHPFQW-IHWYPQMZSA-N 1 1 324.399 3.859 20 30 DHEDMO COCC[N@@H+](C/C=C/c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000508580699 340246937 /nfs/dbraw/zinc/24/69/37/340246937.db2.gz TYGAKASOTHPFQW-NSCUHMNNSA-N 1 1 324.399 3.859 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)s1 ZINC000510403476 340298117 /nfs/dbraw/zinc/29/81/17/340298117.db2.gz IANLYRMGDXTYGS-HNNXBMFYSA-N 1 1 300.402 3.966 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)c(F)c1 ZINC000510516964 340301674 /nfs/dbraw/zinc/30/16/74/340301674.db2.gz FXDMEOKWWMBOLF-SFHVURJKSA-N 1 1 310.372 3.741 20 30 DHEDMO C[N@H+](CCOc1ccccc1C#N)Cc1ccc(F)cc1Cl ZINC000303321761 340320704 /nfs/dbraw/zinc/32/07/04/340320704.db2.gz RKCMSSBZIWIGGY-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C#N)Cc1ccc(F)cc1Cl ZINC000303321761 340320705 /nfs/dbraw/zinc/32/07/05/340320705.db2.gz RKCMSSBZIWIGGY-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000511628782 340332910 /nfs/dbraw/zinc/33/29/10/340332910.db2.gz PZAQMOPMQBQNRW-OAQYLSRUSA-N 1 1 323.436 3.997 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000303576705 340335101 /nfs/dbraw/zinc/33/51/01/340335101.db2.gz ZLGZGEZVPODUBU-IBGZPJMESA-N 1 1 300.446 3.516 20 30 DHEDMO C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1cccc(C#N)c1F ZINC000512474499 340363205 /nfs/dbraw/zinc/36/32/05/340363205.db2.gz LIKTVBXAZRTXLN-UHFFFAOYSA-N 1 1 320.314 3.931 20 30 DHEDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cccc(C#N)c1F ZINC000512474499 340363206 /nfs/dbraw/zinc/36/32/06/340363206.db2.gz LIKTVBXAZRTXLN-UHFFFAOYSA-N 1 1 320.314 3.931 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(F)cc1C ZINC000512487778 340363704 /nfs/dbraw/zinc/36/37/04/340363704.db2.gz ZMYWWRDXHFMEDH-UHFFFAOYSA-N 1 1 303.377 3.798 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(F)cc1C ZINC000512487778 340363705 /nfs/dbraw/zinc/36/37/05/340363705.db2.gz ZMYWWRDXHFMEDH-UHFFFAOYSA-N 1 1 303.377 3.798 20 30 DHEDMO CC[C@H]1CCCC[N@H+]1CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000512612867 340369021 /nfs/dbraw/zinc/36/90/21/340369021.db2.gz QGYKWPIHUPBFJD-HOCLYGCPSA-N 1 1 303.425 3.612 20 30 DHEDMO CC[C@H]1CCCCN1CC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512612867 340369022 /nfs/dbraw/zinc/36/90/22/340369022.db2.gz QGYKWPIHUPBFJD-HOCLYGCPSA-N 1 1 303.425 3.612 20 30 DHEDMO CCC(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)N(C)C ZINC000512621040 340369422 /nfs/dbraw/zinc/36/94/22/340369422.db2.gz URQIDNOZAZXBNK-SCLBCKFNSA-N 1 1 305.441 3.714 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000512649421 340370880 /nfs/dbraw/zinc/37/08/80/340370880.db2.gz XAEIPWVJPFXBGK-IBGZPJMESA-N 1 1 308.425 3.938 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Br)cc1F ZINC000513094101 340393101 /nfs/dbraw/zinc/39/31/01/340393101.db2.gz GIYGXEXFBSERET-VIFPVBQESA-N 1 1 323.165 3.904 20 30 DHEDMO CC[N@@H+](CCOc1ccccc1C#N)[C@@H](C)c1cccc(O)c1 ZINC000174619744 340393206 /nfs/dbraw/zinc/39/32/06/340393206.db2.gz XCRKIIOUXOUDTI-HNNXBMFYSA-N 1 1 310.397 3.726 20 30 DHEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1cccnc1 ZINC000191819907 340559297 /nfs/dbraw/zinc/55/92/97/340559297.db2.gz WIGRZPQZDHQNSG-LLVKDONJSA-N 1 1 316.202 3.567 20 30 DHEDMO N#Cc1csc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000127794633 340856517 /nfs/dbraw/zinc/85/65/17/340856517.db2.gz BTHJZSVTXMOOQT-UHFFFAOYSA-N 1 1 317.845 3.595 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1C[C@H]1c1ccccc1 ZINC000564253576 341000307 /nfs/dbraw/zinc/00/03/07/341000307.db2.gz UAKOCDRWEFMOCM-XLIONFOSSA-N 1 1 311.425 3.954 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1c(C)cc(OC)nc1C ZINC000542855650 341023740 /nfs/dbraw/zinc/02/37/40/341023740.db2.gz XGPPFUWYXMPIHZ-UHFFFAOYSA-N 1 1 302.443 3.957 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1c(C)cc(OC)nc1C ZINC000542855650 341023741 /nfs/dbraw/zinc/02/37/41/341023741.db2.gz XGPPFUWYXMPIHZ-UHFFFAOYSA-N 1 1 302.443 3.957 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000543135423 341033428 /nfs/dbraw/zinc/03/34/28/341033428.db2.gz ILCHOXQCPYOTBP-FQEVSTJZSA-N 1 1 305.425 3.829 20 30 DHEDMO C[N@@H+](Cc1c[nH]nc1-c1ccccc1)Cc1cccc(C#N)c1 ZINC000130756248 341040863 /nfs/dbraw/zinc/04/08/63/341040863.db2.gz UZAQESWONHZWRH-UHFFFAOYSA-N 1 1 302.381 3.580 20 30 DHEDMO Cc1ncc(C[N@@H+](C)Cc2cccc(C#N)c2)n1-c1ccccc1 ZINC000130766461 341041493 /nfs/dbraw/zinc/04/14/93/341041493.db2.gz CKKWFLXGZQMDHJ-UHFFFAOYSA-N 1 1 316.408 3.684 20 30 DHEDMO Cc1ncc(C[N@H+](C)Cc2cccc(C#N)c2)n1-c1ccccc1 ZINC000130766461 341041494 /nfs/dbraw/zinc/04/14/94/341041494.db2.gz CKKWFLXGZQMDHJ-UHFFFAOYSA-N 1 1 316.408 3.684 20 30 DHEDMO C[N@H+](Cc1cnc(-c2ccccn2)s1)Cc1cccc(C#N)c1 ZINC000130791131 341044807 /nfs/dbraw/zinc/04/48/07/341044807.db2.gz FNPQIDIMADQNAJ-UHFFFAOYSA-N 1 1 320.421 3.709 20 30 DHEDMO C[N@@H+](Cc1cnc(-c2ccccn2)s1)Cc1cccc(C#N)c1 ZINC000130791131 341044808 /nfs/dbraw/zinc/04/48/08/341044808.db2.gz FNPQIDIMADQNAJ-UHFFFAOYSA-N 1 1 320.421 3.709 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ncccc1C(F)(F)F ZINC000131162278 341063366 /nfs/dbraw/zinc/06/33/66/341063366.db2.gz DIAPRGZXPFMWHQ-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ncccc1C(F)(F)F ZINC000131162278 341063367 /nfs/dbraw/zinc/06/33/67/341063367.db2.gz DIAPRGZXPFMWHQ-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO CCCC[N@@H+](CC)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000132665568 341138016 /nfs/dbraw/zinc/13/80/16/341138016.db2.gz RCQLYUDPUNJJKS-OAHLLOKOSA-N 1 1 319.424 3.583 20 30 DHEDMO C[C@@H](NC(C)(C)C[NH2+]Cc1cccc(C#N)c1)c1ccccc1 ZINC000074372353 341144833 /nfs/dbraw/zinc/14/48/33/341144833.db2.gz WRNYYEGDSFXJDK-MRXNPFEDSA-N 1 1 307.441 3.777 20 30 DHEDMO N#CCSCCC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000074982176 341158615 /nfs/dbraw/zinc/15/86/15/341158615.db2.gz LLILAQJHQJXDAE-HNNXBMFYSA-N 1 1 308.878 3.994 20 30 DHEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000134218834 341209717 /nfs/dbraw/zinc/20/97/17/341209717.db2.gz PHCICNKUHFBKBX-YJYMSZOUSA-N 1 1 310.372 3.521 20 30 DHEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(OC)c(C#N)c2)cc1 ZINC000134951023 341227217 /nfs/dbraw/zinc/22/72/17/341227217.db2.gz MAAZULIITYZWGA-CQSZACIVSA-N 1 1 310.397 3.768 20 30 DHEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(OC)c(C#N)c2)cc1 ZINC000134951003 341227270 /nfs/dbraw/zinc/22/72/70/341227270.db2.gz MAAZULIITYZWGA-AWEZNQCLSA-N 1 1 310.397 3.768 20 30 DHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(C#N)c2)C1 ZINC000135110588 341231234 /nfs/dbraw/zinc/23/12/34/341231234.db2.gz CVKPEHKXNFBCMY-HZPDHXFCSA-N 1 1 304.459 3.673 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000079502349 341260304 /nfs/dbraw/zinc/26/03/04/341260304.db2.gz ADMLYZQUQRUIAX-OAQYLSRUSA-N 1 1 320.436 3.782 20 30 DHEDMO C=CCOc1cccc(NC(=O)CCn2cc[nH+]c2C(C)C)c1 ZINC000081288274 341284735 /nfs/dbraw/zinc/28/47/35/341284735.db2.gz CRLYKSKRBLSKRD-UHFFFAOYSA-N 1 1 313.401 3.600 20 30 DHEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000549181702 341288283 /nfs/dbraw/zinc/28/82/83/341288283.db2.gz UULWINCCKYBIJX-ZDUSSCGKSA-N 1 1 316.351 3.908 20 30 DHEDMO COc1ccc(Cl)c(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000551402136 341340561 /nfs/dbraw/zinc/34/05/61/341340561.db2.gz WMKFCBUBEDUZEZ-UHFFFAOYSA-N 1 1 312.800 3.999 20 30 DHEDMO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(C#N)cc1F ZINC000551805550 341352434 /nfs/dbraw/zinc/35/24/34/341352434.db2.gz VBCUFCAQZJHTJT-ZDUSSCGKSA-N 1 1 305.356 3.909 20 30 DHEDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000246772057 341356892 /nfs/dbraw/zinc/35/68/92/341356892.db2.gz IDUNOFBHQLAASM-LPHOPBHVSA-N 1 1 313.489 3.650 20 30 DHEDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000246772057 341356893 /nfs/dbraw/zinc/35/68/93/341356893.db2.gz IDUNOFBHQLAASM-LPHOPBHVSA-N 1 1 313.489 3.650 20 30 DHEDMO CCN1CC[C@H]([N@H+](C)Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000246772057 341356895 /nfs/dbraw/zinc/35/68/95/341356895.db2.gz IDUNOFBHQLAASM-LPHOPBHVSA-N 1 1 313.489 3.650 20 30 DHEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000246772057 341356896 /nfs/dbraw/zinc/35/68/96/341356896.db2.gz IDUNOFBHQLAASM-LPHOPBHVSA-N 1 1 313.489 3.650 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000247111337 341361042 /nfs/dbraw/zinc/36/10/42/341361042.db2.gz YATBHQZXYCFAQM-XLIONFOSSA-N 1 1 311.473 3.645 20 30 DHEDMO C=CCc1cc(C[N@H+]2CC[C@@H](CC3CC3)C2)cc(OC)c1O ZINC000552138364 341372481 /nfs/dbraw/zinc/37/24/81/341372481.db2.gz OGENRKGYOWJNPP-HNNXBMFYSA-N 1 1 301.430 3.751 20 30 DHEDMO CC[N@@H+](C[C@@H](O)CCc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000248540028 341379486 /nfs/dbraw/zinc/37/94/86/341379486.db2.gz AZRGAGNNVZTVFM-UTKZUKDTSA-N 1 1 322.452 3.935 20 30 DHEDMO CC(C)OC(=O)C[C@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249088374 341393389 /nfs/dbraw/zinc/39/33/89/341393389.db2.gz CKUWPKVLFSVQKV-NVXWUHKLSA-N 1 1 314.429 3.673 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCCC[C@H]1C ZINC000249409734 341397320 /nfs/dbraw/zinc/39/73/20/341397320.db2.gz VAFXXYAEXJFFNT-WBMJQRKESA-N 1 1 317.433 3.607 20 30 DHEDMO COc1cc(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)ccc1C#N ZINC000566944396 341572335 /nfs/dbraw/zinc/57/23/35/341572335.db2.gz MRLNYFVOYJSJLS-GOSISDBHSA-N 1 1 324.428 3.701 20 30 DHEDMO CC(C)CCOC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000171379023 341776576 /nfs/dbraw/zinc/77/65/76/341776576.db2.gz OVXZNRGNWSIHAQ-UHFFFAOYSA-N 1 1 304.409 3.724 20 30 DHEDMO CC(C)[N@@H+](CCCO[C@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC000338232349 519644657 /nfs/dbraw/zinc/64/46/57/519644657.db2.gz AWWLDUFBBMFAFD-IBGZPJMESA-N 1 1 316.445 3.702 20 30 DHEDMO CCOCc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1OC ZINC000180048022 520182336 /nfs/dbraw/zinc/18/23/36/520182336.db2.gz OOXGXKUUOMMUAQ-UHFFFAOYSA-N 1 1 324.424 3.735 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(C#N)cc1 ZINC000181755513 525441451 /nfs/dbraw/zinc/44/14/51/525441451.db2.gz HRSXXNDMKLDZRA-AWEZNQCLSA-N 1 1 311.404 3.610 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc(C#N)cc1 ZINC000181755530 525523990 /nfs/dbraw/zinc/52/39/90/525523990.db2.gz HRSXXNDMKLDZRA-CQSZACIVSA-N 1 1 311.404 3.610 20 30 DHEDMO C[C@@H](Nc1ncc(C#N)cc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182816779 525728249 /nfs/dbraw/zinc/72/82/49/525728249.db2.gz DUWGWRFJMAINFO-OCCSQVGLSA-N 1 1 318.852 3.672 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268682613 526087427 /nfs/dbraw/zinc/08/74/27/526087427.db2.gz OQJFOKNDGBQCLK-YWZLYKJASA-N 1 1 306.409 3.817 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)s1 ZINC000180507021 526614028 /nfs/dbraw/zinc/61/40/28/526614028.db2.gz WHXWZHNANGROGG-SWLSCSKDSA-N 1 1 318.467 3.769 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000267439529 526702855 /nfs/dbraw/zinc/70/28/55/526702855.db2.gz HMSQIIVYNCPYSC-SJORKVTESA-N 1 1 312.438 3.708 20 30 DHEDMO N#Cc1cccc(C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)c1 ZINC000106471267 526709585 /nfs/dbraw/zinc/70/95/85/526709585.db2.gz HTPQSFSTWMFDIT-HXUWFJFHSA-N 1 1 317.367 3.972 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+](C)[C@@H]2CCCC[C@H]2C)c(C#N)c1C ZINC000246108009 526880345 /nfs/dbraw/zinc/88/03/45/526880345.db2.gz BPIHBASDWVXBKE-IAQYHMDHSA-N 1 1 319.474 3.686 20 30 DHEDMO C#CCN(CC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H]1CCc2ccccc21 ZINC001167178518 1013362031 /nfs/dbraw/zinc/36/20/31/1013362031.db2.gz CRYJIOQXFQVHHZ-UEXGIBASSA-N 1 1 310.485 3.587 20 30 DHEDMO C[C@H]1C[C@H](CCNc2cnccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000519533288 1013369421 /nfs/dbraw/zinc/36/94/21/1013369421.db2.gz VMSZCGHYEOPMKJ-WMZOPIPTSA-N 1 1 320.440 3.666 20 30 DHEDMO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC001173086300 1033536285 /nfs/dbraw/zinc/53/62/85/1033536285.db2.gz UKVLNHVZXAHBRI-SWLSCSKDSA-N 1 1 312.335 3.752 20 30 DHEDMO C[N@@H+](CC(C)(C)C#N)C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000894608917 1013428913 /nfs/dbraw/zinc/42/89/13/1013428913.db2.gz AWVFFWQUPCHWAU-GOSISDBHSA-N 1 1 323.481 3.505 20 30 DHEDMO CC[C@H](c1ccccc1)[N@@H+](CC)C[C@@H](O)CC1(C#N)CCC1 ZINC001167255741 1013453319 /nfs/dbraw/zinc/45/33/19/1013453319.db2.gz LZEALHWNPQGVFE-ZWKOTPCHSA-N 1 1 300.446 3.904 20 30 DHEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000441035365 1013656807 /nfs/dbraw/zinc/65/68/07/1013656807.db2.gz CWIZDYJEBZMDTC-YWZLYKJASA-N 1 1 309.384 3.501 20 30 DHEDMO C=CCOc1ccccc1CNCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000520201735 1013675921 /nfs/dbraw/zinc/67/59/21/1013675921.db2.gz HEVICANFTUNAQA-KRWDZBQOSA-N 1 1 316.489 3.852 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]CC(C)(C)N1CCC[C@H](C)C1 ZINC000520201735 1013675923 /nfs/dbraw/zinc/67/59/23/1013675923.db2.gz HEVICANFTUNAQA-KRWDZBQOSA-N 1 1 316.489 3.852 20 30 DHEDMO C[C@@H](O)C[N@@H+](CCCCC#N)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441252889 1013697911 /nfs/dbraw/zinc/69/79/11/1013697911.db2.gz BZMZLRRPQIVPOG-LSDHHAIUSA-N 1 1 308.853 3.648 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+](CC(C)C)C(C)C)c(C#N)c1C ZINC000177021761 1013698491 /nfs/dbraw/zinc/69/84/91/1013698491.db2.gz YHONEOLIPYHMHP-UHFFFAOYSA-N 1 1 307.463 3.542 20 30 DHEDMO C[C@@H](CCNCc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000177562271 1013739524 /nfs/dbraw/zinc/73/95/24/1013739524.db2.gz SVYQGXLDMDLIER-KRWDZBQOSA-N 1 1 307.441 3.558 20 30 DHEDMO C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000177562271 1013739550 /nfs/dbraw/zinc/73/95/50/1013739550.db2.gz SVYQGXLDMDLIER-KRWDZBQOSA-N 1 1 307.441 3.558 20 30 DHEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccc(Cl)nc1 ZINC000177626416 1013802837 /nfs/dbraw/zinc/80/28/37/1013802837.db2.gz WJGDMTQRBFUTKL-UHFFFAOYSA-N 1 1 315.804 3.508 20 30 DHEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(C#N)c2)C1 ZINC000330689006 1013832478 /nfs/dbraw/zinc/83/24/78/1013832478.db2.gz XKJBOXIHWIOHGT-HNNXBMFYSA-N 1 1 313.445 3.763 20 30 DHEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1c(C)noc1C(C)C ZINC000330732064 1013837904 /nfs/dbraw/zinc/83/79/04/1013837904.db2.gz JMDJBFPBUSLEIW-CQSZACIVSA-N 1 1 307.438 3.676 20 30 DHEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C)c(OC)c1C ZINC000330794576 1013838933 /nfs/dbraw/zinc/83/89/33/1013838933.db2.gz WHXAAIHANDNBBG-HNNXBMFYSA-N 1 1 319.449 3.512 20 30 DHEDMO C[C@@H]([NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1)c1cccc(C#N)c1 ZINC000610343467 1013952294 /nfs/dbraw/zinc/95/22/94/1013952294.db2.gz IMQJCLSHNGUVEW-CHWSQXEVSA-N 1 1 318.380 3.619 20 30 DHEDMO CC1(C)CN([C@H](C#N)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC001167347658 1013999137 /nfs/dbraw/zinc/99/91/37/1013999137.db2.gz XBQOWAFDMDBGPT-HXUWFJFHSA-N 1 1 319.452 3.848 20 30 DHEDMO COc1cc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)ccc1C#N ZINC000580101534 1014030815 /nfs/dbraw/zinc/03/08/15/1014030815.db2.gz WMGOPNCOLFWIOD-IBGZPJMESA-N 1 1 310.372 3.638 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)ccc1C#N ZINC000580101534 1014030821 /nfs/dbraw/zinc/03/08/21/1014030821.db2.gz WMGOPNCOLFWIOD-IBGZPJMESA-N 1 1 310.372 3.638 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2OC)cc1C#N ZINC000135035600 1014079263 /nfs/dbraw/zinc/07/92/63/1014079263.db2.gz HMTHVICUNDSYAW-SFHVURJKSA-N 1 1 322.408 3.913 20 30 DHEDMO COc1ccc2c(c1)CC[N@@H+]([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000536345511 1014082645 /nfs/dbraw/zinc/08/26/45/1014082645.db2.gz KXYVASOKVGVMND-OAHLLOKOSA-N 1 1 306.409 3.729 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000683889861 1014094681 /nfs/dbraw/zinc/09/46/81/1014094681.db2.gz RYTBPXYDZJFBDQ-PBHICJAKSA-N 1 1 302.393 3.803 20 30 DHEDMO CC[C@H](C)Oc1cc(C[N@H+](CCC#N)CC2CC2)ccc1OC ZINC000119087287 1014119451 /nfs/dbraw/zinc/11/94/51/1014119451.db2.gz JRKAGTWXJPIEJI-HNNXBMFYSA-N 1 1 316.445 3.998 20 30 DHEDMO CC[C@H](C)Oc1cc(C[N@@H+](CCC#N)CC2CC2)ccc1OC ZINC000119087287 1014119454 /nfs/dbraw/zinc/11/94/54/1014119454.db2.gz JRKAGTWXJPIEJI-HNNXBMFYSA-N 1 1 316.445 3.998 20 30 DHEDMO C=CC[N@@H+](CCn1nc(C)cc1C)Cc1ccc(Cl)s1 ZINC000580415972 1014124789 /nfs/dbraw/zinc/12/47/89/1014124789.db2.gz QVGRLKQIFWSEJX-UHFFFAOYSA-N 1 1 309.866 3.903 20 30 DHEDMO C=CC[N@H+](CCn1nc(C)cc1C)Cc1ccc(Cl)s1 ZINC000580415972 1014124794 /nfs/dbraw/zinc/12/47/94/1014124794.db2.gz QVGRLKQIFWSEJX-UHFFFAOYSA-N 1 1 309.866 3.903 20 30 DHEDMO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC000931259213 1032084630 /nfs/dbraw/zinc/08/46/30/1032084630.db2.gz NNSQCHYWGOBCEH-GOSISDBHSA-N 1 1 309.388 3.860 20 30 DHEDMO N#Cc1cccnc1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000379907112 1014160578 /nfs/dbraw/zinc/16/05/78/1014160578.db2.gz KSVALAOUGCCAIV-GOSISDBHSA-N 1 1 320.440 3.667 20 30 DHEDMO N#Cc1cccc([C@@H](O)C[N@H+](Cc2ccc(F)cc2)CC2CC2)c1 ZINC001167412383 1014175633 /nfs/dbraw/zinc/17/56/33/1014175633.db2.gz KESZKRCLKQUBDB-FQEVSTJZSA-N 1 1 324.399 3.643 20 30 DHEDMO Cc1ccc(O[C@@H]2CC[N@@H+](CCCCC3(C#N)CCC3)C2)nc1 ZINC000931269073 1032088048 /nfs/dbraw/zinc/08/80/48/1032088048.db2.gz IKDUZDXNFJTZDS-QGZVFWFLSA-N 1 1 313.445 3.707 20 30 DHEDMO CCC[N@@H+](Cc1cnc2cc(C)ccn12)Cc1ccc(C#N)cc1 ZINC000119256992 1014270611 /nfs/dbraw/zinc/27/06/11/1014270611.db2.gz OYBCXHMFNGXOEK-UHFFFAOYSA-N 1 1 318.424 3.927 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000726975285 1014281741 /nfs/dbraw/zinc/28/17/41/1014281741.db2.gz VGVPVJWHRBHKSY-VQTJNVASSA-N 1 1 324.399 3.785 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H]2CC(C)(C)C)c1=S ZINC000057821719 1014282814 /nfs/dbraw/zinc/28/28/14/1014282814.db2.gz JMCVGVFVTLNKEC-CQSZACIVSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H]2CC(C)(C)C)c1=S ZINC000057821719 1014282839 /nfs/dbraw/zinc/28/28/39/1014282839.db2.gz JMCVGVFVTLNKEC-CQSZACIVSA-N 1 1 308.495 3.767 20 30 DHEDMO CCC[N@@H+](Cc1cnc2ccc(C)cn12)Cc1ccc(C#N)cc1 ZINC000119280219 1014292278 /nfs/dbraw/zinc/29/22/78/1014292278.db2.gz CMCNMRYKUILMES-UHFFFAOYSA-N 1 1 318.424 3.927 20 30 DHEDMO C=CCC[C@@H](NC(=O)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000133766874 1014314870 /nfs/dbraw/zinc/31/48/70/1014314870.db2.gz BOQDNJSRWZFLSM-GOSISDBHSA-N 1 1 311.429 3.795 20 30 DHEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000441650069 1014392008 /nfs/dbraw/zinc/39/20/08/1014392008.db2.gz WZYYWIUBJDLEPR-KRWDZBQOSA-N 1 1 313.445 3.787 20 30 DHEDMO COCC[N@@H+](CCOc1ccccc1C#N)[C@@H](C)c1ccccc1 ZINC000561828187 1032092369 /nfs/dbraw/zinc/09/23/69/1032092369.db2.gz KLRGZTAHBWDIMU-KRWDZBQOSA-N 1 1 324.424 3.647 20 30 DHEDMO CCOc1ccc(-c2nc(CO[NH+]=C(N)CC(C)C)co2)cc1 ZINC000160725051 1014512267 /nfs/dbraw/zinc/51/22/67/1014512267.db2.gz HGWFHAMHQQOUDK-UHFFFAOYSA-N 1 1 317.389 3.575 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccccc1F ZINC000063750694 1014518369 /nfs/dbraw/zinc/51/83/69/1014518369.db2.gz WXSBIJZMWIYXGT-LJQANCHMSA-N 1 1 312.388 3.641 20 30 DHEDMO COc1ccc(F)cc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000427850508 1014539269 /nfs/dbraw/zinc/53/92/69/1014539269.db2.gz JEOYRNNDJWCTKS-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N(CCC#N)c1ccc(C)cc1 ZINC000843777766 1014589802 /nfs/dbraw/zinc/58/98/02/1014589802.db2.gz NHXQBEHTWXOUHS-MRXNPFEDSA-N 1 1 324.428 3.652 20 30 DHEDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000933125738 1014669042 /nfs/dbraw/zinc/66/90/42/1014669042.db2.gz IHVFOLJHLJXNSS-AWEZNQCLSA-N 1 1 315.417 3.527 20 30 DHEDMO C[C@H]([NH2+]C1(CN[C@@H]2CC[C@@H](C#N)C2)CCCC1)c1ccccc1 ZINC000442786887 1014731178 /nfs/dbraw/zinc/73/11/78/1014731178.db2.gz WGRLSEFGNXBBGI-YQVWRLOYSA-N 1 1 311.473 3.932 20 30 DHEDMO C[C@H]([NH2+]C1(CN[C@@H]2CC[C@H](C#N)C2)CCCC1)c1ccccc1 ZINC000442786871 1014732209 /nfs/dbraw/zinc/73/22/09/1014732209.db2.gz WGRLSEFGNXBBGI-JENIJYKNSA-N 1 1 311.473 3.932 20 30 DHEDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](CCCCC2(C#N)CCC2)[C@@H](C)C1 ZINC000931337961 1032103165 /nfs/dbraw/zinc/10/31/65/1032103165.db2.gz OHCATRYMZQWFFC-MUJYYYPQSA-N 1 1 306.450 3.513 20 30 DHEDMO C[NH+](C)Cc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1Br ZINC000442875548 1014755894 /nfs/dbraw/zinc/75/58/94/1014755894.db2.gz OZJSADOJPMHILG-YPMHNXCESA-N 1 1 322.250 3.615 20 30 DHEDMO C[N@@H+](CCCNc1nccc(C#N)c1Cl)C1CCCCC1 ZINC000234283644 1014757389 /nfs/dbraw/zinc/75/73/89/1014757389.db2.gz CIGMSKTWUWWQFV-UHFFFAOYSA-N 1 1 306.841 3.673 20 30 DHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(OC)c2)C1 ZINC000442891021 1014764418 /nfs/dbraw/zinc/76/44/18/1014764418.db2.gz QTOBROVACRQYMN-CVEARBPZSA-N 1 1 304.459 3.673 20 30 DHEDMO CC(C)c1ccc(C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000177986185 1014770183 /nfs/dbraw/zinc/77/01/83/1014770183.db2.gz UAIKFHCQQJFVGU-HXUWFJFHSA-N 1 1 308.425 3.847 20 30 DHEDMO CC[C@@H](C)C[N@@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000341020118 1014819395 /nfs/dbraw/zinc/81/93/95/1014819395.db2.gz UYKJAXQGMLCBGV-OAHLLOKOSA-N 1 1 315.461 3.528 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c1 ZINC000521942133 1014844949 /nfs/dbraw/zinc/84/49/49/1014844949.db2.gz YEEFUBHWNXXRSZ-FUHWJXTLSA-N 1 1 303.446 3.767 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@H](C)CC)cc1 ZINC001167461467 1014841508 /nfs/dbraw/zinc/84/15/08/1014841508.db2.gz JNEHUNHXHVFKQK-VQIMIIECSA-N 1 1 312.457 3.897 20 30 DHEDMO C[C@H](c1cccc(F)c1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000522031248 1014865806 /nfs/dbraw/zinc/86/58/06/1014865806.db2.gz XBMYBWNZNMCNGZ-OAHLLOKOSA-N 1 1 312.388 3.907 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)ccc1C#N ZINC000581586874 1015023501 /nfs/dbraw/zinc/02/35/01/1015023501.db2.gz GEBLMZMOXODEPW-IBGZPJMESA-N 1 1 306.409 3.865 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000276400669 1015088876 /nfs/dbraw/zinc/08/88/76/1015088876.db2.gz KKTVXUXDBNBMPS-MRXNPFEDSA-N 1 1 315.461 3.754 20 30 DHEDMO C=CCC[N@H+](C)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000276411322 1015102060 /nfs/dbraw/zinc/10/20/60/1015102060.db2.gz LQHXFCHPKIDLKJ-UHFFFAOYSA-N 1 1 300.324 3.542 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3c[nH]c4ncccc34)C2)cc1 ZINC000931366958 1032110370 /nfs/dbraw/zinc/11/03/70/1032110370.db2.gz SNGSXAVJEGABEQ-QGZVFWFLSA-N 1 1 316.408 3.814 20 30 DHEDMO C=C(C)C[N@H+](Cc1cc(OC)c(OC)cc1OC)C(C)(C)C ZINC000474171830 1015155434 /nfs/dbraw/zinc/15/54/34/1015155434.db2.gz PIHBCBOIKOPZBR-UHFFFAOYSA-N 1 1 307.434 3.889 20 30 DHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CCCOc2cccc(C#N)c2)C1 ZINC000477278344 1015178147 /nfs/dbraw/zinc/17/81/47/1015178147.db2.gz GMOPZDOWTSISTA-SJLPKXTDSA-N 1 1 318.486 3.933 20 30 DHEDMO CCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(C)(C)O ZINC000474228604 1015201806 /nfs/dbraw/zinc/20/18/06/1015201806.db2.gz GCRPITWFSRZHSZ-UHFFFAOYSA-N 1 1 313.363 3.540 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2nc(-c3cccc(OC)c3)cs2)C1 ZINC000895563047 1015204477 /nfs/dbraw/zinc/20/44/77/1015204477.db2.gz SAIVWKFEEIUXDJ-AWEZNQCLSA-N 1 1 312.438 3.664 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC000895585613 1015213386 /nfs/dbraw/zinc/21/33/86/1015213386.db2.gz YSJNAQRXHNGCQP-OAHLLOKOSA-N 1 1 300.427 3.697 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000895581428 1015217776 /nfs/dbraw/zinc/21/77/76/1015217776.db2.gz AHJTYHAQZMWZMF-HNNXBMFYSA-N 1 1 300.427 3.697 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126752445 1015219274 /nfs/dbraw/zinc/21/92/74/1015219274.db2.gz FBSOAZBECXRGGZ-IFXJQAMLSA-N 1 1 310.372 3.659 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126752445 1015219278 /nfs/dbraw/zinc/21/92/78/1015219278.db2.gz FBSOAZBECXRGGZ-IFXJQAMLSA-N 1 1 310.372 3.659 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000025360090 1015250591 /nfs/dbraw/zinc/25/05/91/1015250591.db2.gz ROKTWGJGCARWGX-IBGZPJMESA-N 1 1 310.372 3.913 20 30 DHEDMO CCOc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1OC ZINC000127294832 1015326630 /nfs/dbraw/zinc/32/66/30/1015326630.db2.gz CQWSXBBXEHACDH-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C)c(C#N)c1C ZINC000610542625 1015377301 /nfs/dbraw/zinc/37/73/01/1015377301.db2.gz OAYWFGPQNMIZAX-LBPRGKRZSA-N 1 1 307.463 3.542 20 30 DHEDMO Oc1ccccc1/C=N\C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000255376932 1015457806 /nfs/dbraw/zinc/45/78/06/1015457806.db2.gz DYPOYVXIKHHNFU-CCRNYGKSSA-N 1 1 314.454 3.785 20 30 DHEDMO CCC[N@@H+](Cc1cn2ccnc2s1)Cc1ccc(C#N)cc1 ZINC000891652023 1015487300 /nfs/dbraw/zinc/48/73/00/1015487300.db2.gz BCAMNGKNYINFIW-UHFFFAOYSA-N 1 1 310.426 3.680 20 30 DHEDMO CC[N@@H+](Cc1cn2ccnc2s1)[C@H](C)c1ccc(C#N)cc1 ZINC000891656164 1015491903 /nfs/dbraw/zinc/49/19/03/1015491903.db2.gz MAMUDAYBMHHPLW-CYBMUJFWSA-N 1 1 310.426 3.851 20 30 DHEDMO CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C[C@H](C)C#N ZINC000098134627 1015579226 /nfs/dbraw/zinc/57/92/26/1015579226.db2.gz AUGQMTJSAMRRKI-GFCCVEGCSA-N 1 1 300.324 3.609 20 30 DHEDMO CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C[C@H](C)C#N ZINC000098134627 1015579230 /nfs/dbraw/zinc/57/92/30/1015579230.db2.gz AUGQMTJSAMRRKI-GFCCVEGCSA-N 1 1 300.324 3.609 20 30 DHEDMO C=CCC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000290892271 1015629243 /nfs/dbraw/zinc/62/92/43/1015629243.db2.gz CGWBLZGGRGCINA-RYQLBKOJSA-N 1 1 300.446 3.540 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1nc2cc(F)ccc2[nH]1 ZINC000329318743 1015682602 /nfs/dbraw/zinc/68/26/02/1015682602.db2.gz IHETZBMIGCUEBE-GFCCVEGCSA-N 1 1 304.369 3.555 20 30 DHEDMO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000329318743 1015682607 /nfs/dbraw/zinc/68/26/07/1015682607.db2.gz IHETZBMIGCUEBE-GFCCVEGCSA-N 1 1 304.369 3.555 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000329318743 1015682615 /nfs/dbraw/zinc/68/26/15/1015682615.db2.gz IHETZBMIGCUEBE-GFCCVEGCSA-N 1 1 304.369 3.555 20 30 DHEDMO Cc1nc(C2CC2)oc1C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000329444643 1015706010 /nfs/dbraw/zinc/70/60/10/1015706010.db2.gz BDSKYGCWUCWHER-CQSZACIVSA-N 1 1 319.449 3.533 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000442950688 1015714278 /nfs/dbraw/zinc/71/42/78/1015714278.db2.gz ZYFWIWSIRSAXBP-HXUWFJFHSA-N 1 1 320.521 3.949 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C(F)(F)F)cn1 ZINC000341834294 1015761471 /nfs/dbraw/zinc/76/14/71/1015761471.db2.gz RUPRYLGQUJEKRG-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C(F)(F)F)cn1 ZINC000341834294 1015761474 /nfs/dbraw/zinc/76/14/74/1015761474.db2.gz RUPRYLGQUJEKRG-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](O)C1CCCCC1 ZINC000475021415 1015768386 /nfs/dbraw/zinc/76/83/86/1015768386.db2.gz BYKMQJCYNYEANX-VAMGGRTRSA-N 1 1 312.457 3.699 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)C(C2CC2)C2CC2)c1C#N ZINC000091068237 1015778229 /nfs/dbraw/zinc/77/82/29/1015778229.db2.gz OLPSJOKBODQHOJ-UHFFFAOYSA-N 1 1 320.440 3.673 20 30 DHEDMO COc1ccc(C[N@H+](C)Cc2ccc(Cl)s2)cc1C#N ZINC000087833238 1015777251 /nfs/dbraw/zinc/77/72/51/1015777251.db2.gz QQXWTJKMROXHSF-UHFFFAOYSA-N 1 1 306.818 3.914 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(Cl)s2)cc1C#N ZINC000087833238 1015777258 /nfs/dbraw/zinc/77/72/58/1015777258.db2.gz QQXWTJKMROXHSF-UHFFFAOYSA-N 1 1 306.818 3.914 20 30 DHEDMO N#Cc1cccc(OCC[N@H+](CCc2ccc(F)cc2)C2CC2)c1 ZINC000522659541 1015789483 /nfs/dbraw/zinc/78/94/83/1015789483.db2.gz ZYJBDBDCLWLIET-UHFFFAOYSA-N 1 1 324.399 3.783 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccccn2)cc1Cl ZINC000350356977 1015823102 /nfs/dbraw/zinc/82/31/02/1015823102.db2.gz OPQRXDJJZIJPPA-UHFFFAOYSA-N 1 1 302.805 3.932 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccccn2)cc1Cl ZINC000350356977 1015823105 /nfs/dbraw/zinc/82/31/05/1015823105.db2.gz OPQRXDJJZIJPPA-UHFFFAOYSA-N 1 1 302.805 3.932 20 30 DHEDMO C=C[C@H](CC)CC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001126789675 1032130417 /nfs/dbraw/zinc/13/04/17/1032130417.db2.gz ACYLAKGXPDUXCC-DLBZAZTESA-N 1 1 302.462 3.616 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)ccc1OC ZINC000535824086 1015893900 /nfs/dbraw/zinc/89/39/00/1015893900.db2.gz LDRJBYWVCHESIE-GASCZTMLSA-N 1 1 321.486 3.976 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1F ZINC000538149373 1015941626 /nfs/dbraw/zinc/94/16/26/1015941626.db2.gz XBRYFGXPLCILBW-HNNXBMFYSA-N 1 1 312.363 3.901 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000361866656 1032134121 /nfs/dbraw/zinc/13/41/21/1032134121.db2.gz WBVJAPCIZJMLCW-DAYGRLMNSA-N 1 1 315.436 3.535 20 30 DHEDMO C[N@@H+](CCc1cccc2ccccc21)Cc1ccnc(C#N)c1 ZINC000610992299 1015997374 /nfs/dbraw/zinc/99/73/74/1015997374.db2.gz SOJIVWRUEOBIHB-UHFFFAOYSA-N 1 1 301.393 3.781 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)ccn1 ZINC000610993731 1015999138 /nfs/dbraw/zinc/99/91/38/1015999138.db2.gz FJWTXAMMHGPRIS-MRXNPFEDSA-N 1 1 309.438 3.567 20 30 DHEDMO C[C@@H]([N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)C(C)(C)C ZINC000538715307 1016160923 /nfs/dbraw/zinc/16/09/23/1016160923.db2.gz BPQYBIVXGJSXTF-CQSZACIVSA-N 1 1 310.445 3.825 20 30 DHEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000934182978 1016189897 /nfs/dbraw/zinc/18/98/97/1016189897.db2.gz PAWVIYYUENLQOO-LMMKCTJWSA-N 1 1 314.473 3.616 20 30 DHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001167516956 1016287444 /nfs/dbraw/zinc/28/74/44/1016287444.db2.gz LPYUGYPHLSSGCY-PMACEKPBSA-N 1 1 308.425 3.545 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](COC)Cc1ccccc1 ZINC000539862721 1016410594 /nfs/dbraw/zinc/41/05/94/1016410594.db2.gz URUXRTOTBSBUGA-FQEVSTJZSA-N 1 1 308.425 3.638 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cn2ccnc2s1 ZINC000892201976 1016419185 /nfs/dbraw/zinc/41/91/85/1016419185.db2.gz OKOGITQTCUMNBI-IAGOWNOFSA-N 1 1 322.437 3.668 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cn2ccnc2s1 ZINC000892201976 1016419193 /nfs/dbraw/zinc/41/91/93/1016419193.db2.gz OKOGITQTCUMNBI-IAGOWNOFSA-N 1 1 322.437 3.668 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cn2ccnc2s1 ZINC000892201980 1016419985 /nfs/dbraw/zinc/41/99/85/1016419985.db2.gz OKOGITQTCUMNBI-SJORKVTESA-N 1 1 322.437 3.668 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cn2ccnc2s1 ZINC000892201980 1016419989 /nfs/dbraw/zinc/41/99/89/1016419989.db2.gz OKOGITQTCUMNBI-SJORKVTESA-N 1 1 322.437 3.668 20 30 DHEDMO N#CC1(CC[N@H+]2CC[C@H](Cc3nccs3)C2)CCCCC1 ZINC000934331163 1016450160 /nfs/dbraw/zinc/45/01/60/1016450160.db2.gz YAHMEZLJEFUNQI-OAHLLOKOSA-N 1 1 303.475 3.872 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@@H](C)[C@H]2CC)c1=S ZINC000184974964 1016486262 /nfs/dbraw/zinc/48/62/62/1016486262.db2.gz NCYFNGAEPWDADD-TZMCWYRMSA-N 1 1 306.479 3.555 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@@H](C)[C@H]2CC)c1=S ZINC000184974964 1016486266 /nfs/dbraw/zinc/48/62/66/1016486266.db2.gz NCYFNGAEPWDADD-TZMCWYRMSA-N 1 1 306.479 3.555 20 30 DHEDMO CC(C)Oc1ncccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000611586825 1016599510 /nfs/dbraw/zinc/59/95/10/1016599510.db2.gz QOYPWBKGLIVLTC-ZDUSSCGKSA-N 1 1 313.376 3.730 20 30 DHEDMO COc1nc(C)cc(C)c1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000611587880 1016612358 /nfs/dbraw/zinc/61/23/58/1016612358.db2.gz IICBLEZKDSKCNT-CYBMUJFWSA-N 1 1 313.376 3.569 20 30 DHEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccco2)cc1 ZINC000121224215 1016751770 /nfs/dbraw/zinc/75/17/70/1016751770.db2.gz VQNAEEXAHKUTDY-KRWDZBQOSA-N 1 1 323.396 3.707 20 30 DHEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccco2)cc1 ZINC000121224215 1016751788 /nfs/dbraw/zinc/75/17/88/1016751788.db2.gz VQNAEEXAHKUTDY-KRWDZBQOSA-N 1 1 323.396 3.707 20 30 DHEDMO CCC[C@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000051686666 1016769392 /nfs/dbraw/zinc/76/93/92/1016769392.db2.gz OXXPILJVOJEFJK-INIZCTEOSA-N 1 1 315.461 3.671 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)cc1C#N ZINC000347203418 1016780160 /nfs/dbraw/zinc/78/01/60/1016780160.db2.gz PNGDODOUTPJTJF-KBXCAEBGSA-N 1 1 307.397 3.545 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1cnn2c1CCC2)c1ccc(F)c(F)c1 ZINC000657437781 1016795439 /nfs/dbraw/zinc/79/54/39/1016795439.db2.gz VQLLJERDWKZQIV-KRWDZBQOSA-N 1 1 303.356 3.515 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)C[C@H](O)c1ccc(F)c(F)c1 ZINC000072692804 1016828935 /nfs/dbraw/zinc/82/89/35/1016828935.db2.gz DYQZPBFPMHXLFS-KRWDZBQOSA-N 1 1 310.388 3.650 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](O)c1ccc(F)c(F)c1 ZINC000072692804 1016828946 /nfs/dbraw/zinc/82/89/46/1016828946.db2.gz DYQZPBFPMHXLFS-KRWDZBQOSA-N 1 1 310.388 3.650 20 30 DHEDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2OC)cc1 ZINC000347269268 1016831824 /nfs/dbraw/zinc/83/18/24/1016831824.db2.gz RUPIKMNKKFIQBX-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO N#CCSCCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000347295339 1016855752 /nfs/dbraw/zinc/85/57/52/1016855752.db2.gz FANCMKXXZUVWCA-AWEZNQCLSA-N 1 1 320.462 3.511 20 30 DHEDMO N#CCSCCC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000347295339 1016855770 /nfs/dbraw/zinc/85/57/70/1016855770.db2.gz FANCMKXXZUVWCA-AWEZNQCLSA-N 1 1 320.462 3.511 20 30 DHEDMO N#CCCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159120724 1016873822 /nfs/dbraw/zinc/87/38/22/1016873822.db2.gz SPLUVZJGMHXQFY-PMACEKPBSA-N 1 1 311.473 3.667 20 30 DHEDMO N#CCCCCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159120724 1016873841 /nfs/dbraw/zinc/87/38/41/1016873841.db2.gz SPLUVZJGMHXQFY-PMACEKPBSA-N 1 1 311.473 3.667 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)ncn2C ZINC000342685014 1017008592 /nfs/dbraw/zinc/00/85/92/1017008592.db2.gz VMHHSZGZRREYKO-UHFFFAOYSA-N 1 1 318.424 3.856 20 30 DHEDMO N#CCc1ccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000342702866 1017042721 /nfs/dbraw/zinc/04/27/21/1017042721.db2.gz ZVHNFJWKRJHSQT-NRFANRHFSA-N 1 1 320.436 3.934 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000523009199 1017060631 /nfs/dbraw/zinc/06/06/31/1017060631.db2.gz RBAAACUMOAVMHW-GOSISDBHSA-N 1 1 306.425 3.537 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000847033896 1032184695 /nfs/dbraw/zinc/18/46/95/1032184695.db2.gz HHAVDVQUBIVQQL-KRWDZBQOSA-N 1 1 306.409 3.506 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000847029803 1032184789 /nfs/dbraw/zinc/18/47/89/1032184789.db2.gz LOMSUJRYNQHEQM-MRXNPFEDSA-N 1 1 306.409 3.514 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2nnc(-c3cc(C)c(CC)s3)o2)C1 ZINC000847032928 1032185373 /nfs/dbraw/zinc/18/53/73/1032185373.db2.gz ZDMMMMVEOMNNST-ZDUSSCGKSA-N 1 1 315.442 3.514 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2nnc(-c3cc(C)c(CC)s3)o2)C1 ZINC000847032928 1032185382 /nfs/dbraw/zinc/18/53/82/1032185382.db2.gz ZDMMMMVEOMNNST-ZDUSSCGKSA-N 1 1 315.442 3.514 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000847032416 1032185533 /nfs/dbraw/zinc/18/55/33/1032185533.db2.gz STRAJRTWPMYWOU-KRWDZBQOSA-N 1 1 318.420 3.784 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nc(C)c(Cl)cc1Cl ZINC001160953896 1032218722 /nfs/dbraw/zinc/21/87/22/1032218722.db2.gz LHAFDTVHPLKFBJ-NSHDSACASA-N 1 1 300.233 3.759 20 30 DHEDMO C[NH+](C)C1CCC(N(CCC#N)Cc2ccc(Cl)cc2)CC1 ZINC001168326624 1032287674 /nfs/dbraw/zinc/28/76/74/1032287674.db2.gz CPRAXZMQVOYPCJ-UHFFFAOYSA-N 1 1 319.880 3.928 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000794411357 1032288416 /nfs/dbraw/zinc/28/84/16/1032288416.db2.gz DEPAKCKVJUXNQD-VQTJNVASSA-N 1 1 324.399 3.785 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)ccc1OC ZINC000537624382 1032326308 /nfs/dbraw/zinc/32/63/08/1032326308.db2.gz ZYBUMFYMXSOSBA-HNNXBMFYSA-N 1 1 319.445 3.649 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCOC(C)(C)[C@@H]2C)ccc1OC ZINC000537624382 1032326321 /nfs/dbraw/zinc/32/63/21/1032326321.db2.gz ZYBUMFYMXSOSBA-HNNXBMFYSA-N 1 1 319.445 3.649 20 30 DHEDMO COc1ccc(Cl)c2c1C[C@@H]([N@H+]1CCC[C@H](C#N)CC1)CC2 ZINC001171321857 1032367170 /nfs/dbraw/zinc/36/71/70/1032367170.db2.gz QGKRYMPHWRHDIP-KBPBESRZSA-N 1 1 318.848 3.832 20 30 DHEDMO COc1cc(C[N@@H+](C)CCCOCc2ccccc2)ccc1C#N ZINC000384283610 1017267757 /nfs/dbraw/zinc/26/77/57/1017267757.db2.gz JQRVJBJMITWKGX-UHFFFAOYSA-N 1 1 324.424 3.606 20 30 DHEDMO CC[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@@H](C)C#N ZINC000091983566 1032466504 /nfs/dbraw/zinc/46/65/04/1032466504.db2.gz SVVODDATYYSENZ-LBPRGKRZSA-N 1 1 302.809 3.712 20 30 DHEDMO CC[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C[C@@H](C)C#N ZINC000091983566 1032466507 /nfs/dbraw/zinc/46/65/07/1032466507.db2.gz SVVODDATYYSENZ-LBPRGKRZSA-N 1 1 302.809 3.712 20 30 DHEDMO CC(C)[C@H]1[N@H+](Cc2cc(C#N)cnc2Cl)CC12CC=CC2 ZINC000877607561 1033378323 /nfs/dbraw/zinc/37/83/23/1033378323.db2.gz IBEIKIBTFTWOAM-OAHLLOKOSA-N 1 1 301.821 3.783 20 30 DHEDMO CC(C)[C@H]1[N@@H+](Cc2cc(C#N)cnc2Cl)CC12CC=CC2 ZINC000877607561 1033378332 /nfs/dbraw/zinc/37/83/32/1033378332.db2.gz IBEIKIBTFTWOAM-OAHLLOKOSA-N 1 1 301.821 3.783 20 30 DHEDMO CCc1nc(C[NH2+]Cc2cccc(O[C@H](C#N)CC)c2)cs1 ZINC000073012190 1017090688 /nfs/dbraw/zinc/09/06/88/1017090688.db2.gz GCZVUXKVBJAJCT-HNNXBMFYSA-N 1 1 315.442 3.676 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc2nccn21 ZINC000179802102 1017308556 /nfs/dbraw/zinc/30/85/56/1017308556.db2.gz RUCPAWABSOAUSF-UHFFFAOYSA-N 1 1 307.397 3.531 20 30 DHEDMO CC[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCS1 ZINC000093502150 1032544060 /nfs/dbraw/zinc/54/40/60/1032544060.db2.gz MCKDBOIJUPZYFW-QGZVFWFLSA-N 1 1 304.459 3.697 20 30 DHEDMO C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CC(C)(C)CCC#N ZINC000093611437 1032547737 /nfs/dbraw/zinc/54/77/37/1032547737.db2.gz PGEVHWSEOQAGEA-SFHVURJKSA-N 1 1 313.489 3.913 20 30 DHEDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000122882183 1017317669 /nfs/dbraw/zinc/31/76/69/1017317669.db2.gz UEZGFDPPJIWSBW-HNNXBMFYSA-N 1 1 310.397 3.639 20 30 DHEDMO N#Cc1cccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000076181156 1011930539 /nfs/dbraw/zinc/93/05/39/1011930539.db2.gz MFOJNCHIEZCYJG-TXEJJXNPSA-N 1 1 322.252 3.731 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)c1 ZINC000076181156 1011930548 /nfs/dbraw/zinc/93/05/48/1011930548.db2.gz MFOJNCHIEZCYJG-TXEJJXNPSA-N 1 1 322.252 3.731 20 30 DHEDMO COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1ccc(C#N)o1 ZINC000424208326 1011943605 /nfs/dbraw/zinc/94/36/05/1011943605.db2.gz ZAPMTZQAQYCBDI-UHFFFAOYSA-N 1 1 304.777 3.838 20 30 DHEDMO C=C(C)CN(CC)c1[nH+]cnc2c1ccn2Cc1ccccc1 ZINC001167051022 1012072770 /nfs/dbraw/zinc/07/27/70/1012072770.db2.gz PKZRDQQYDBCNFB-UHFFFAOYSA-N 1 1 306.413 3.882 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000424705644 1012108415 /nfs/dbraw/zinc/10/84/15/1012108415.db2.gz JPRFPQSFQPKTDY-AWEZNQCLSA-N 1 1 311.429 3.960 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424755785 1012125772 /nfs/dbraw/zinc/12/57/72/1012125772.db2.gz AERPOWINLFETTJ-AEFFLSMTSA-N 1 1 314.473 3.616 20 30 DHEDMO C=CCC(C)(C)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425046447 1012198584 /nfs/dbraw/zinc/19/85/84/1012198584.db2.gz UHLZPLBVTNNEAT-UHFFFAOYSA-N 1 1 321.490 3.841 20 30 DHEDMO C=CC[C@@H]1CCN1C(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000890560940 1012245066 /nfs/dbraw/zinc/24/50/66/1012245066.db2.gz QNGMGEXYXBRRHL-GOSISDBHSA-N 1 1 300.446 3.709 20 30 DHEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000514188389 1012287182 /nfs/dbraw/zinc/28/71/82/1012287182.db2.gz DOIOOTPDAOIXPL-HXUWFJFHSA-N 1 1 320.436 3.953 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC000514793772 1012436813 /nfs/dbraw/zinc/43/68/13/1012436813.db2.gz QNDUDMMDLFEHNI-OAHLLOKOSA-N 1 1 322.437 3.634 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc(C(C)(C)C)nc1 ZINC000425364453 1012489118 /nfs/dbraw/zinc/48/91/18/1012489118.db2.gz GPSWAGSBBYZMLI-CQSZACIVSA-N 1 1 308.429 3.839 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc(C(C)(C)C)nc1 ZINC000425364453 1012489126 /nfs/dbraw/zinc/48/91/26/1012489126.db2.gz GPSWAGSBBYZMLI-CQSZACIVSA-N 1 1 308.429 3.839 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc2c1OCCO2 ZINC000425368757 1012501453 /nfs/dbraw/zinc/50/14/53/1012501453.db2.gz XTLLNERPOUVNCT-AWEZNQCLSA-N 1 1 308.381 3.522 20 30 DHEDMO C=CC[C@H](C)C(=O)N1CC[C@H]2C[N@H+](C[C@@H](CC)CCCC)C[C@H]21 ZINC001269961208 1012519607 /nfs/dbraw/zinc/51/96/07/1012519607.db2.gz WWEQWSVAOIDNCC-CADBVGFASA-N 1 1 320.521 3.948 20 30 DHEDMO COC(=O)[C@@H](CC[N@H+](CCC#N)CC(C)(C)C)c1ccccc1 ZINC000425418794 1012622332 /nfs/dbraw/zinc/62/23/32/1012622332.db2.gz MHOCZWRMFJKTME-KRWDZBQOSA-N 1 1 316.445 3.595 20 30 DHEDMO COC(=O)[C@@H](CC[N@@H+](CCC#N)CC(C)(C)C)c1ccccc1 ZINC000425418794 1012622346 /nfs/dbraw/zinc/62/23/46/1012622346.db2.gz MHOCZWRMFJKTME-KRWDZBQOSA-N 1 1 316.445 3.595 20 30 DHEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000187692960 1012698027 /nfs/dbraw/zinc/69/80/27/1012698027.db2.gz HCDMGMFQGIQQKH-MAUKXSAKSA-N 1 1 320.502 3.679 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000425531555 1012732182 /nfs/dbraw/zinc/73/21/82/1012732182.db2.gz HRMJFXOJZDUNMU-AWEZNQCLSA-N 1 1 310.372 3.963 20 30 DHEDMO Cc1ccccc1NC(=O)CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425539792 1012740170 /nfs/dbraw/zinc/74/01/70/1012740170.db2.gz URGPGNSUTYDXDP-INIZCTEOSA-N 1 1 321.424 3.888 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(C(=O)OC)cc1 ZINC000109356316 1012867870 /nfs/dbraw/zinc/86/78/70/1012867870.db2.gz QKQQGNWDTQECHE-UHFFFAOYSA-N 1 1 309.409 3.704 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N(CCC)Cc1ccc(C)cc1 ZINC000061758556 1032663507 /nfs/dbraw/zinc/66/35/07/1032663507.db2.gz PGAWUKWDVVZBFZ-UHFFFAOYSA-N 1 1 302.462 3.632 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)cc1F ZINC000593054251 1032680144 /nfs/dbraw/zinc/68/01/44/1032680144.db2.gz HTLSYHHQJBDYFR-UHFFFAOYSA-N 1 1 316.273 3.564 20 30 DHEDMO CC[C@@H]([NH2+]Cc1sc(C)nc1C)c1cccc(C#N)c1O ZINC000925148744 1017367257 /nfs/dbraw/zinc/36/72/57/1017367257.db2.gz OLTAQLQMINZAJT-CQSZACIVSA-N 1 1 301.415 3.578 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccnc(OC(F)F)c1)c1ccc(C#N)cc1F ZINC000342813003 1017424043 /nfs/dbraw/zinc/42/40/43/1017424043.db2.gz NXGZRCVZUZDCDV-SNVBAGLBSA-N 1 1 321.302 3.545 20 30 DHEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268613429 1017567869 /nfs/dbraw/zinc/56/78/69/1017567869.db2.gz LNVCJDSXRGFTDI-UGSOOPFHSA-N 1 1 314.816 3.938 20 30 DHEDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444602209 1017589224 /nfs/dbraw/zinc/58/92/24/1017589224.db2.gz YZTJJIIWHBWDHC-IAGOWNOFSA-N 1 1 321.509 3.723 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2nncn2-c2ccccc2)CCCC1(C)C ZINC000444778154 1017673436 /nfs/dbraw/zinc/67/34/36/1017673436.db2.gz HWEQURYVQSCNKD-KRWDZBQOSA-N 1 1 310.445 3.834 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000523551828 1017728536 /nfs/dbraw/zinc/72/85/36/1017728536.db2.gz GBAGLJJMZQPPQH-OAHLLOKOSA-N 1 1 306.425 3.681 20 30 DHEDMO Cc1ccc(C(=O)C2CC[NH+](Cc3ccccc3C#N)CC2)cc1 ZINC000054296054 1017747342 /nfs/dbraw/zinc/74/73/42/1017747342.db2.gz HIBRNXAEZZCJRY-UHFFFAOYSA-N 1 1 318.420 3.962 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000625700302 1017776978 /nfs/dbraw/zinc/77/69/78/1017776978.db2.gz BAPXGLIMRONXJB-LLVKDONJSA-N 1 1 321.218 3.988 20 30 DHEDMO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000625701918 1017779158 /nfs/dbraw/zinc/77/91/58/1017779158.db2.gz ULLKBGLZHNGBPM-NSHDSACASA-N 1 1 313.228 3.830 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000625701918 1017779179 /nfs/dbraw/zinc/77/91/79/1017779179.db2.gz ULLKBGLZHNGBPM-NSHDSACASA-N 1 1 313.228 3.830 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000625702647 1017781401 /nfs/dbraw/zinc/78/14/01/1017781401.db2.gz HTOIMWAQVKYOGZ-KRWDZBQOSA-N 1 1 300.446 3.920 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000625703074 1017782177 /nfs/dbraw/zinc/78/21/77/1017782177.db2.gz LBTGEVZBPNSVRP-CYBMUJFWSA-N 1 1 303.431 3.629 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)CCc1ccccc1 ZINC000182274714 1017888502 /nfs/dbraw/zinc/88/85/02/1017888502.db2.gz BEKUATKZZMTUKP-OAQYLSRUSA-N 1 1 320.436 3.540 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000088715756 1017910380 /nfs/dbraw/zinc/91/03/80/1017910380.db2.gz WZPYVNAIRAVUKF-KXBFYZLASA-N 1 1 323.415 3.622 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCc2ccc(C#N)cc2F)C1 ZINC000088715756 1017910383 /nfs/dbraw/zinc/91/03/83/1017910383.db2.gz WZPYVNAIRAVUKF-KXBFYZLASA-N 1 1 323.415 3.622 20 30 DHEDMO C=CCCC[N@H+](C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000524248217 1017932661 /nfs/dbraw/zinc/93/26/61/1017932661.db2.gz NOHVJKXRZYCLBJ-CYBMUJFWSA-N 1 1 318.244 3.631 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc3c(c2)CCO3)C2CC2)cc1 ZINC000171921600 1017999572 /nfs/dbraw/zinc/99/95/72/1017999572.db2.gz NXEQYUXJSADEEJ-UHFFFAOYSA-N 1 1 304.393 3.658 20 30 DHEDMO N#CC1CC[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000183309756 1018013176 /nfs/dbraw/zinc/01/31/76/1018013176.db2.gz SSHYDZXZSIIWMK-UHFFFAOYSA-N 1 1 316.298 3.502 20 30 DHEDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000183679343 1018038140 /nfs/dbraw/zinc/03/81/40/1018038140.db2.gz RUXWBCXLRJJGCD-INIZCTEOSA-N 1 1 309.413 3.957 20 30 DHEDMO C=CCC[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1ccco1 ZINC000658082302 1018049879 /nfs/dbraw/zinc/04/98/79/1018049879.db2.gz JDHQHLRKNOTWKG-GFCCVEGCSA-N 1 1 311.307 3.886 20 30 DHEDMO C=CCCCN(C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000172436468 1018050228 /nfs/dbraw/zinc/05/02/28/1018050228.db2.gz HAKPYXBBXCHZKB-MRXNPFEDSA-N 1 1 323.868 3.550 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000524812231 1018099907 /nfs/dbraw/zinc/09/99/07/1018099907.db2.gz ZEQGJEWWNDJBEE-UHFFFAOYSA-N 1 1 312.800 3.649 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000524812231 1018099922 /nfs/dbraw/zinc/09/99/22/1018099922.db2.gz ZEQGJEWWNDJBEE-UHFFFAOYSA-N 1 1 312.800 3.649 20 30 DHEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000441035797 1018152236 /nfs/dbraw/zinc/15/22/36/1018152236.db2.gz PUAUPJAXJDOIJO-DJJJIMSYSA-N 1 1 310.372 3.521 20 30 DHEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000441035797 1018152240 /nfs/dbraw/zinc/15/22/40/1018152240.db2.gz PUAUPJAXJDOIJO-DJJJIMSYSA-N 1 1 310.372 3.521 20 30 DHEDMO C=CCCCCCCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001128848695 1018161232 /nfs/dbraw/zinc/16/12/32/1018161232.db2.gz LVEPJGWSCXBEPB-LJQANCHMSA-N 1 1 314.473 3.761 20 30 DHEDMO CC#CC[N@H+](C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000741773663 1018208591 /nfs/dbraw/zinc/20/85/91/1018208591.db2.gz NZGGXSDKJHKKDR-UHFFFAOYSA-N 1 1 315.848 3.657 20 30 DHEDMO CC#CC[N@@H+](C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000741773663 1018208597 /nfs/dbraw/zinc/20/85/97/1018208597.db2.gz NZGGXSDKJHKKDR-UHFFFAOYSA-N 1 1 315.848 3.657 20 30 DHEDMO Cc1occc1C[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000446767270 1018238851 /nfs/dbraw/zinc/23/88/51/1018238851.db2.gz KTXFOXNOVOFQNV-UHFFFAOYSA-N 1 1 323.314 3.970 20 30 DHEDMO Cc1occc1C[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000446767270 1018238865 /nfs/dbraw/zinc/23/88/65/1018238865.db2.gz KTXFOXNOVOFQNV-UHFFFAOYSA-N 1 1 323.314 3.970 20 30 DHEDMO CCOc1ccc(OCC[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000525328956 1018247503 /nfs/dbraw/zinc/24/75/03/1018247503.db2.gz RUHDLVPQZHZSQA-UHFFFAOYSA-N 1 1 304.434 3.726 20 30 DHEDMO CCOc1ccc(OCC[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000525328956 1018247517 /nfs/dbraw/zinc/24/75/17/1018247517.db2.gz RUHDLVPQZHZSQA-UHFFFAOYSA-N 1 1 304.434 3.726 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2ccc([S@@](C)=O)cc2)CCCC1(C)C ZINC000446827466 1018260585 /nfs/dbraw/zinc/26/05/85/1018260585.db2.gz ONBHKXHRSCEQPN-DYESRHJHSA-N 1 1 305.487 3.991 20 30 DHEDMO N#C[C@@H]1CCC[N@H+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171543016 1032753421 /nfs/dbraw/zinc/75/34/21/1032753421.db2.gz CWDBPOMIFRYORD-YPMHNXCESA-N 1 1 308.347 3.587 20 30 DHEDMO CC[C@H]1CCCCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000525409378 1018285026 /nfs/dbraw/zinc/28/50/26/1018285026.db2.gz WGKZLSULIYAMNN-INIZCTEOSA-N 1 1 302.418 3.600 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858049697 1032756229 /nfs/dbraw/zinc/75/62/29/1032756229.db2.gz LESHPDTVUCJKAK-KRWDZBQOSA-N 1 1 313.445 3.742 20 30 DHEDMO C#CC[N@@H+](Cc1ncc(-c2ccccc2OC)o1)C1CCCC1 ZINC000155749266 1018338040 /nfs/dbraw/zinc/33/80/40/1018338040.db2.gz WZUMDJRKVBKHSL-UHFFFAOYSA-N 1 1 310.397 3.728 20 30 DHEDMO C#CC[N@H+](Cc1ncc(-c2ccccc2OC)o1)C1CCCC1 ZINC000155749266 1018338047 /nfs/dbraw/zinc/33/80/47/1018338047.db2.gz WZUMDJRKVBKHSL-UHFFFAOYSA-N 1 1 310.397 3.728 20 30 DHEDMO CCn1nc(C)c([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000926479824 1018347882 /nfs/dbraw/zinc/34/78/82/1018347882.db2.gz MUOZQSCTRSZALV-WMLDXEAASA-N 1 1 311.433 3.692 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCCCC2=NOCC(F)(F)F)C1 ZINC000764847194 1018394946 /nfs/dbraw/zinc/39/49/46/1018394946.db2.gz UAEVHZOGQRXQON-SCRDCRAPSA-N 1 1 306.372 3.842 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)o1 ZINC000174327199 1018416938 /nfs/dbraw/zinc/41/69/38/1018416938.db2.gz UYIRCGUIPRLPOB-UHFFFAOYSA-N 1 1 311.385 3.548 20 30 DHEDMO C=CCOc1ccc(CNc2[nH+]c(C)ccc2OC)cc1OC ZINC000150979232 1018433366 /nfs/dbraw/zinc/43/33/66/1018433366.db2.gz UYBFFUKEYHWELB-UHFFFAOYSA-N 1 1 314.385 3.584 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000343257311 1018512961 /nfs/dbraw/zinc/51/29/61/1018512961.db2.gz FDIVZCBPVRONOD-SJLPKXTDSA-N 1 1 300.446 3.512 20 30 DHEDMO C=C[C@@H](CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000245600213 1018562918 /nfs/dbraw/zinc/56/29/18/1018562918.db2.gz IRTWTANPFPFOEF-ROUUACIJSA-N 1 1 314.473 3.727 20 30 DHEDMO C=C[C@H](CC(=O)N(CC)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000583583477 1018576654 /nfs/dbraw/zinc/57/66/54/1018576654.db2.gz LQRNXSDOCOJTJN-IEBWSBKVSA-N 1 1 314.473 3.679 20 30 DHEDMO CC(C)[N@@H+](CCC(=O)Nc1sccc1C#N)C1CC(C)(C)C1 ZINC000583606183 1018590903 /nfs/dbraw/zinc/59/09/03/1018590903.db2.gz FVWZZDBZSUGRQE-UHFFFAOYSA-N 1 1 319.474 3.847 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2cc3n(n2)CCCC3)cc1 ZINC000647303987 1018630893 /nfs/dbraw/zinc/63/08/93/1018630893.db2.gz SGNIKWZDCIZXIL-OAHLLOKOSA-N 1 1 311.429 3.635 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000246590605 1018650149 /nfs/dbraw/zinc/65/01/49/1018650149.db2.gz ILROAKZSZMIVGU-HUUCEWRRSA-N 1 1 320.502 3.528 20 30 DHEDMO CC[N@@H+](Cc1cn2ccccc2n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000060477331 1018772310 /nfs/dbraw/zinc/77/23/10/1018772310.db2.gz CAWNBSZEFDQYOI-HNNXBMFYSA-N 1 1 304.397 3.789 20 30 DHEDMO C=CC[N@@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000072802488 1018780567 /nfs/dbraw/zinc/78/05/67/1018780567.db2.gz NZTHPUIIHISNKG-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO C=CC[N@H+](CCC)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000072802488 1018780582 /nfs/dbraw/zinc/78/05/82/1018780582.db2.gz NZTHPUIIHISNKG-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)N[C@H](C)CC[NH+](C)C)cc1 ZINC000765452256 1018791365 /nfs/dbraw/zinc/79/13/65/1018791365.db2.gz ZMWGUTRBSLMSHU-HUUCEWRRSA-N 1 1 310.869 3.809 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)CCN(C)C)cc1 ZINC000765452256 1018791374 /nfs/dbraw/zinc/79/13/74/1018791374.db2.gz ZMWGUTRBSLMSHU-HUUCEWRRSA-N 1 1 310.869 3.809 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@@H](C)c1cccs1)Cc1ccccc1 ZINC000248383091 1018900289 /nfs/dbraw/zinc/90/02/89/1018900289.db2.gz ZFBZNKFXGNWKSO-HNNXBMFYSA-N 1 1 314.454 3.614 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@@H](C)c1cccs1)Cc1ccccc1 ZINC000248383091 1018900301 /nfs/dbraw/zinc/90/03/01/1018900301.db2.gz ZFBZNKFXGNWKSO-HNNXBMFYSA-N 1 1 314.454 3.614 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000584083179 1018929486 /nfs/dbraw/zinc/92/94/86/1018929486.db2.gz FWUZRVQYJZFTGT-YRNRMSPPSA-N 1 1 311.473 3.503 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000584083179 1018929497 /nfs/dbraw/zinc/92/94/97/1018929497.db2.gz FWUZRVQYJZFTGT-YRNRMSPPSA-N 1 1 311.473 3.503 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000584083179 1018929508 /nfs/dbraw/zinc/92/95/08/1018929508.db2.gz FWUZRVQYJZFTGT-YRNRMSPPSA-N 1 1 311.473 3.503 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N[C@H](C)CCC)c1ccc(F)c(F)c1 ZINC000248547290 1019024348 /nfs/dbraw/zinc/02/43/48/1019024348.db2.gz GCAARPUFMZBTJX-IGCXYCKISA-N 1 1 324.415 3.865 20 30 DHEDMO CC[C@H]([NH2+]Cc1csc([C@H](C)OC)n1)c1ccc(C#N)cc1 ZINC000278686133 1019039781 /nfs/dbraw/zinc/03/97/81/1019039781.db2.gz KDTYZXVZIMVXFS-LRDDRELGSA-N 1 1 315.442 3.963 20 30 DHEDMO CCCCCCCC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001127934881 1019060784 /nfs/dbraw/zinc/06/07/84/1019060784.db2.gz VNXKWVXHZZHFOU-UHFFFAOYSA-N 1 1 316.489 4.000 20 30 DHEDMO CC(C)[N@H+](CCCC#N)Cc1nnc(-c2ccccc2Cl)o1 ZINC000128379101 1032805374 /nfs/dbraw/zinc/80/53/74/1032805374.db2.gz UATXGCOLPPWOML-UHFFFAOYSA-N 1 1 318.808 3.904 20 30 DHEDMO CC(C)[N@@H+](CCCC#N)Cc1nnc(-c2ccccc2Cl)o1 ZINC000128379101 1032805393 /nfs/dbraw/zinc/80/53/93/1032805393.db2.gz UATXGCOLPPWOML-UHFFFAOYSA-N 1 1 318.808 3.904 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000248639351 1019082158 /nfs/dbraw/zinc/08/21/58/1019082158.db2.gz WSAUHJGIKCMMAS-JQFCIGGWSA-N 1 1 320.864 3.804 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000248639351 1019082171 /nfs/dbraw/zinc/08/21/71/1019082171.db2.gz WSAUHJGIKCMMAS-JQFCIGGWSA-N 1 1 320.864 3.804 20 30 DHEDMO C=CCC[C@H]([NH2+]Cc1nc(Br)c[nH]1)c1ccccc1 ZINC000921917321 1019105495 /nfs/dbraw/zinc/10/54/95/1019105495.db2.gz KWMJPRLTYIBJCB-ZDUSSCGKSA-N 1 1 320.234 3.969 20 30 DHEDMO CCc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000347923436 1019267186 /nfs/dbraw/zinc/26/71/86/1019267186.db2.gz UESLSWAVZVCNPX-VQTJNVASSA-N 1 1 305.425 3.916 20 30 DHEDMO CCc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000347923436 1019267191 /nfs/dbraw/zinc/26/71/91/1019267191.db2.gz UESLSWAVZVCNPX-VQTJNVASSA-N 1 1 305.425 3.916 20 30 DHEDMO C=CC[N@H+](Cc1nc(N)c2ccccc2n1)CC1CCCCC1 ZINC000543031110 1019268285 /nfs/dbraw/zinc/26/82/85/1019268285.db2.gz BHSMWUDYWMEUKE-UHFFFAOYSA-N 1 1 310.445 3.780 20 30 DHEDMO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c(C)nn1 ZINC000929396462 1019269434 /nfs/dbraw/zinc/26/94/34/1019269434.db2.gz BCMZLAJYSUVDCD-UHFFFAOYSA-N 1 1 308.429 3.623 20 30 DHEDMO N#Cc1ccc(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000289840680 1019277412 /nfs/dbraw/zinc/27/74/12/1019277412.db2.gz OXTXGQNFCPIWHP-GOSISDBHSA-N 1 1 323.440 3.543 20 30 DHEDMO Cc1ccc(CC[C@H](C)[N@H+]2CCC3SC(=O)C=C3C2)cc1 ZINC001171669959 1032823835 /nfs/dbraw/zinc/82/38/35/1032823835.db2.gz GRFQNHQFQIIKQV-YOEHRIQHSA-N 1 1 301.455 3.590 20 30 DHEDMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC001171670294 1032824115 /nfs/dbraw/zinc/82/41/15/1032824115.db2.gz CXGKIJYZGMVFJC-OAHLLOKOSA-N 1 1 308.466 3.903 20 30 DHEDMO CCN1C[C@@H](C[N@@H+](C)CC(C)(C)CCC#N)Oc2ccccc21 ZINC000611253180 1019421335 /nfs/dbraw/zinc/42/13/35/1019421335.db2.gz MKQRMQNNTVMRGM-MRXNPFEDSA-N 1 1 315.461 3.536 20 30 DHEDMO CCOc1ccc(C2=CC[N@H+](Cc3ccnc(C#N)c3)CC2)cc1 ZINC000611259285 1019423360 /nfs/dbraw/zinc/42/33/60/1019423360.db2.gz UCNUSDAKNUWNPK-UHFFFAOYSA-N 1 1 319.408 3.641 20 30 DHEDMO CCOc1ccc(C2=CC[N@@H+](Cc3ccnc(C#N)c3)CC2)cc1 ZINC000611259285 1019423371 /nfs/dbraw/zinc/42/33/71/1019423371.db2.gz UCNUSDAKNUWNPK-UHFFFAOYSA-N 1 1 319.408 3.641 20 30 DHEDMO COCC[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(C)cc1C ZINC000611257411 1019423848 /nfs/dbraw/zinc/42/38/48/1019423848.db2.gz TTXBEHCCAOVDFB-UHFFFAOYSA-N 1 1 314.454 3.885 20 30 DHEDMO CC[N@H+](Cc1cn2cccc(F)c2n1)[C@H](C)c1ccc(C#N)cc1 ZINC000611256230 1019424971 /nfs/dbraw/zinc/42/49/71/1019424971.db2.gz MGSSLFDMNJAVND-CQSZACIVSA-N 1 1 322.387 3.928 20 30 DHEDMO CC[N@@H+](Cc1cn2cccc(F)c2n1)[C@H](C)c1ccc(C#N)cc1 ZINC000611256230 1019424981 /nfs/dbraw/zinc/42/49/81/1019424981.db2.gz MGSSLFDMNJAVND-CQSZACIVSA-N 1 1 322.387 3.928 20 30 DHEDMO C[C@H]([NH2+]Cc1ccn(-c2cccc(F)c2)n1)c1cccc(C#N)c1 ZINC000611388512 1019463387 /nfs/dbraw/zinc/46/33/87/1019463387.db2.gz IYBKXSSVFCHMOW-AWEZNQCLSA-N 1 1 320.371 3.734 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCN(C2CCC2)CC1 ZINC000611392187 1019465383 /nfs/dbraw/zinc/46/53/83/1019465383.db2.gz JGQUOKZQGQTXTN-FQEVSTJZSA-N 1 1 309.457 3.542 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC1CC[NH+](C2CCC2)CC1 ZINC000611392187 1019465391 /nfs/dbraw/zinc/46/53/91/1019465391.db2.gz JGQUOKZQGQTXTN-FQEVSTJZSA-N 1 1 309.457 3.542 20 30 DHEDMO C[N@@H+](CCN[C@H]1CCCc2cc(C#N)ccc21)C1CCCCC1 ZINC000611391809 1019465656 /nfs/dbraw/zinc/46/56/56/1019465656.db2.gz UJRUNWMMQAHQLO-FQEVSTJZSA-N 1 1 311.473 3.790 20 30 DHEDMO CN(CC[NH2+][C@H]1CCCc2cc(C#N)ccc21)C1CCCCC1 ZINC000611391809 1019465667 /nfs/dbraw/zinc/46/56/67/1019465667.db2.gz UJRUNWMMQAHQLO-FQEVSTJZSA-N 1 1 311.473 3.790 20 30 DHEDMO CC(C)Cn1ccnc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393547 1019469350 /nfs/dbraw/zinc/46/93/50/1019469350.db2.gz WKFJKBZRNNYODQ-GOSISDBHSA-N 1 1 308.429 3.578 20 30 DHEDMO COC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C)o1 ZINC000611393355 1019469499 /nfs/dbraw/zinc/46/94/99/1019469499.db2.gz DAILVBUTJVUTQO-QZTJIDSGSA-N 1 1 310.397 3.814 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(CNc2nc(C#N)ccc2C)cc1F ZINC000611399497 1019471495 /nfs/dbraw/zinc/47/14/95/1019471495.db2.gz VEUWDHFVVRYITE-UHFFFAOYSA-N 1 1 321.359 3.507 20 30 DHEDMO C[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCCCC1 ZINC000611390997 1019473509 /nfs/dbraw/zinc/47/35/09/1019473509.db2.gz LXVKWXMBNZOEBZ-UZLBHIALSA-N 1 1 311.473 3.647 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+](CCO)[C@H]2CCCc3ccccc32)c1 ZINC000114468725 1019512866 /nfs/dbraw/zinc/51/28/66/1019512866.db2.gz ABHRUBNXUWLQRT-FQEVSTJZSA-N 1 1 324.399 3.569 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cc(F)cnc1Cl ZINC000922151450 1019537834 /nfs/dbraw/zinc/53/78/34/1019537834.db2.gz KJNAMHSDQMMKQQ-UHFFFAOYSA-N 1 1 303.768 3.652 20 30 DHEDMO COc1c(C)cnc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1C ZINC000067227587 1019715563 /nfs/dbraw/zinc/71/55/63/1019715563.db2.gz GQASZKXCIBNXKX-UHFFFAOYSA-N 1 1 323.440 3.989 20 30 DHEDMO C#CC[C@H](COC)[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000858336034 1032849901 /nfs/dbraw/zinc/84/99/01/1032849901.db2.gz SLWYRXIPRCWKET-CQSZACIVSA-N 1 1 320.845 3.591 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000281161993 1019769083 /nfs/dbraw/zinc/76/90/83/1019769083.db2.gz HFOLJSLEMVHTRD-KRWDZBQOSA-N 1 1 324.472 3.563 20 30 DHEDMO C=CCNC(=S)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000727978095 1019852935 /nfs/dbraw/zinc/85/29/35/1019852935.db2.gz FKZCRWKEUKATIT-UHFFFAOYSA-N 1 1 303.475 3.521 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1C#N ZINC000179203863 1019853800 /nfs/dbraw/zinc/85/38/00/1019853800.db2.gz VQKXWPRDELHHIK-UHFFFAOYSA-N 1 1 317.392 3.603 20 30 DHEDMO CC[C@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000532980357 1019990419 /nfs/dbraw/zinc/99/04/19/1019990419.db2.gz LMZHWKWSAVJNSN-IBGZPJMESA-N 1 1 306.409 3.836 20 30 DHEDMO N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000317598150 1019992290 /nfs/dbraw/zinc/99/22/90/1019992290.db2.gz RMWBEELVEAXHCD-KGLIPLIRSA-N 1 1 309.335 3.616 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](c3ccncc3)C2)c1 ZINC000347714207 1020015096 /nfs/dbraw/zinc/01/50/96/1020015096.db2.gz BUXYKCXKNFUKCW-LJQANCHMSA-N 1 1 321.424 3.602 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000118393977 1020045148 /nfs/dbraw/zinc/04/51/48/1020045148.db2.gz QMPQXMVPOOLEGF-QGZVFWFLSA-N 1 1 305.425 3.832 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1cccc(NC(C)=O)c1 ZINC000101543481 1020048600 /nfs/dbraw/zinc/04/86/00/1020048600.db2.gz BJKARLJOMZVDLJ-UHFFFAOYSA-N 1 1 300.427 3.895 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc(NC(C)=O)c1 ZINC000101543481 1020048611 /nfs/dbraw/zinc/04/86/11/1020048611.db2.gz BJKARLJOMZVDLJ-UHFFFAOYSA-N 1 1 300.427 3.895 20 30 DHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2nc(C)cs2)c1 ZINC000858378446 1032870451 /nfs/dbraw/zinc/87/04/51/1032870451.db2.gz KNEUCMKYSFRXOG-ZFWWWQNUSA-N 1 1 315.442 3.983 20 30 DHEDMO COC(=O)c1ccccc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000154365092 1020099102 /nfs/dbraw/zinc/09/91/02/1020099102.db2.gz ZCXNWAJSECRIHH-UHFFFAOYSA-N 1 1 322.408 3.755 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2c1OCO2 ZINC000154371191 1020101490 /nfs/dbraw/zinc/10/14/90/1020101490.db2.gz ZCIJZGVXACNINM-UHFFFAOYSA-N 1 1 308.381 3.698 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3c3ccc(F)cc3)n2c1 ZINC000124070347 1020137021 /nfs/dbraw/zinc/13/70/21/1020137021.db2.gz SHEIRJBFSFNSFA-SFHVURJKSA-N 1 1 320.371 3.682 20 30 DHEDMO N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H]3c3ccc(F)cc3)n2c1 ZINC000124070347 1020137031 /nfs/dbraw/zinc/13/70/31/1020137031.db2.gz SHEIRJBFSFNSFA-SFHVURJKSA-N 1 1 320.371 3.682 20 30 DHEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(C#N)cs1)CCC2 ZINC000093365196 1020149745 /nfs/dbraw/zinc/14/97/45/1020149745.db2.gz HLUXBWOWSCNOOD-CQSZACIVSA-N 1 1 303.456 3.894 20 30 DHEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000093660885 1020163289 /nfs/dbraw/zinc/16/32/89/1020163289.db2.gz LOWXSJBPRGFRNH-SFHVURJKSA-N 1 1 318.424 3.659 20 30 DHEDMO C#Cc1cccc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000731866358 1020165121 /nfs/dbraw/zinc/16/51/21/1020165121.db2.gz GLODDUXVKAQRPV-QGZVFWFLSA-N 1 1 312.800 3.563 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)cc1 ZINC000155254193 1020207533 /nfs/dbraw/zinc/20/75/33/1020207533.db2.gz UCZLRMNBDVHINB-INIZCTEOSA-N 1 1 310.372 3.695 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2CCC[C@H]2C(C)(C)C)c(C#N)c1C ZINC000331168341 1020254435 /nfs/dbraw/zinc/25/44/35/1020254435.db2.gz UMSUWQAKORWTNB-AWEZNQCLSA-N 1 1 319.474 3.686 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)Cc1ccc2c(c1)OCO2 ZINC000929225943 1020286300 /nfs/dbraw/zinc/28/63/00/1020286300.db2.gz VXRBJRXEHKLZMS-UHFFFAOYSA-N 1 1 300.402 3.711 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000156401268 1020346446 /nfs/dbraw/zinc/34/64/46/1020346446.db2.gz BCXZWJUUNRHGCQ-UHFFFAOYSA-N 1 1 319.408 3.849 20 30 DHEDMO CC(C)(C#N)C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000903100551 1020350409 /nfs/dbraw/zinc/35/04/09/1020350409.db2.gz SKJTZLKMGQJMHB-CYBMUJFWSA-N 1 1 323.234 3.802 20 30 DHEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000153602762 1020432794 /nfs/dbraw/zinc/43/27/94/1020432794.db2.gz OGGXBQGTYRZISF-AWEZNQCLSA-N 1 1 308.381 3.870 20 30 DHEDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1ccc(C#N)s1 ZINC000179786798 1020444025 /nfs/dbraw/zinc/44/40/25/1020444025.db2.gz RMNULXIBERTCMP-UHFFFAOYSA-N 1 1 304.390 3.660 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000347938696 1020458930 /nfs/dbraw/zinc/45/89/30/1020458930.db2.gz BNQNEBFYKYIHSI-UHFFFAOYSA-N 1 1 319.364 3.756 20 30 DHEDMO C=CCOCCC[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000348022299 1020477594 /nfs/dbraw/zinc/47/75/94/1020477594.db2.gz AAKMXTZCFPEQEV-AWEZNQCLSA-N 1 1 318.392 3.739 20 30 DHEDMO CC[N@H+](CC(=O)c1cc(C)[nH]c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000348070121 1020491916 /nfs/dbraw/zinc/49/19/16/1020491916.db2.gz WCWPAIQXWBVHGJ-HNNXBMFYSA-N 1 1 309.413 3.769 20 30 DHEDMO CC[N@@H+](CC(=O)c1cc(C)[nH]c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000348070121 1020491921 /nfs/dbraw/zinc/49/19/21/1020491921.db2.gz WCWPAIQXWBVHGJ-HNNXBMFYSA-N 1 1 309.413 3.769 20 30 DHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H]3C3CCCC3)o2)c1 ZINC000075644503 1020495365 /nfs/dbraw/zinc/49/53/65/1020495365.db2.gz WFQWBXRYOYKUHY-KRWDZBQOSA-N 1 1 322.412 3.763 20 30 DHEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1C#N ZINC000301449818 1020512134 /nfs/dbraw/zinc/51/21/34/1020512134.db2.gz PNLCZWZNCZBDAJ-QGZVFWFLSA-N 1 1 323.415 3.656 20 30 DHEDMO C[C@H]1CCN(c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000301467847 1020513158 /nfs/dbraw/zinc/51/31/58/1020513158.db2.gz YLVNQDRZEDPKNC-KRWDZBQOSA-N 1 1 305.425 3.659 20 30 DHEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ncccc1C#N ZINC000302216812 1020532563 /nfs/dbraw/zinc/53/25/63/1020532563.db2.gz JBSGRMOXLFQFTI-SFHVURJKSA-N 1 1 308.429 3.522 20 30 DHEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1C ZINC000153737086 1020562145 /nfs/dbraw/zinc/56/21/45/1020562145.db2.gz HRNAOYHJBOVCOG-UHFFFAOYSA-N 1 1 304.397 3.537 20 30 DHEDMO N#CCOc1ccc(CNc2cc[nH+]c3ccc(Cl)cc23)cc1 ZINC000734141549 1020567450 /nfs/dbraw/zinc/56/74/50/1020567450.db2.gz PWBRUWIRPUZOHR-UHFFFAOYSA-N 1 1 323.783 3.825 20 30 DHEDMO Cc1ccc([C@@H]2CC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)cc1 ZINC000359956765 1020573988 /nfs/dbraw/zinc/57/39/88/1020573988.db2.gz FLSMYYVYVIMHAT-GOSISDBHSA-N 1 1 316.408 3.504 20 30 DHEDMO C[C@H]1CC(N=Nc2ccc(F)cn2)CC[N@H+]1Cc1ccccc1 ZINC000734298678 1020583951 /nfs/dbraw/zinc/58/39/51/1020583951.db2.gz CGNQHJROXUHBGC-AWEZNQCLSA-N 1 1 312.392 3.673 20 30 DHEDMO Cc1csc(C2([NH2+]Cc3csc(C#N)c3)CCCC2)n1 ZINC000921738026 1020597631 /nfs/dbraw/zinc/59/76/31/1020597631.db2.gz NTKHGAPHVAYBOE-UHFFFAOYSA-N 1 1 303.456 3.944 20 30 DHEDMO CC(C)[N@@H+](CCc1nccs1)Cc1ccc(F)c(C#N)c1 ZINC000159852056 1020631880 /nfs/dbraw/zinc/63/18/80/1020631880.db2.gz KIFOVVNDVCIGLK-UHFFFAOYSA-N 1 1 303.406 3.607 20 30 DHEDMO CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CC(C)(C)C#N ZINC000612585682 1020632387 /nfs/dbraw/zinc/63/23/87/1020632387.db2.gz PCMIKYKFTOQYOE-UHFFFAOYSA-N 1 1 324.472 3.868 20 30 DHEDMO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+]CC(C)(C)C#N ZINC000612585277 1020632477 /nfs/dbraw/zinc/63/24/77/1020632477.db2.gz UTDXHTVGYVMGIR-AWEZNQCLSA-N 1 1 305.441 3.947 20 30 DHEDMO CCCCOc1ccc(C[NH2+]CC(C)(C)C#N)cc1OCC ZINC000612588233 1020634390 /nfs/dbraw/zinc/63/43/90/1020634390.db2.gz SXQCQOZDCQAUMJ-UHFFFAOYSA-N 1 1 304.434 3.904 20 30 DHEDMO C=CCCC[N@@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000735490373 1020738855 /nfs/dbraw/zinc/73/88/55/1020738855.db2.gz IKVRRLLRJZVWOC-UHFFFAOYSA-N 1 1 308.466 3.817 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(OC)cc3)o2)C1 ZINC000661378303 1020791640 /nfs/dbraw/zinc/79/16/40/1020791640.db2.gz CETQRENEMROLIM-CQSZACIVSA-N 1 1 313.401 3.533 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000580009218 1020797702 /nfs/dbraw/zinc/79/77/02/1020797702.db2.gz AEFJWHYUJROTGT-OXJNMPFZSA-N 1 1 317.436 3.756 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nnnn2C2CCCCC2)C1 ZINC000661384624 1020827506 /nfs/dbraw/zinc/82/75/06/1020827506.db2.gz KABDITMFLKCSDN-LSDHHAIUSA-N 1 1 303.454 3.527 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)c2nnnn2C2CCCCC2)C1 ZINC000661384624 1020827513 /nfs/dbraw/zinc/82/75/13/1020827513.db2.gz KABDITMFLKCSDN-LSDHHAIUSA-N 1 1 303.454 3.527 20 30 DHEDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000738342389 1020875665 /nfs/dbraw/zinc/87/56/65/1020875665.db2.gz VGDNOUFOHODUTL-AWEZNQCLSA-N 1 1 310.372 3.847 20 30 DHEDMO C=CCCCCC[N@H+](C)CN1C[C@@H](c2ccccc2C)CC1=O ZINC000739885295 1020919694 /nfs/dbraw/zinc/91/96/94/1020919694.db2.gz OTUQPFSKVAPLES-SFHVURJKSA-N 1 1 314.473 3.947 20 30 DHEDMO C=CCC[N@@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000739912250 1020922939 /nfs/dbraw/zinc/92/29/39/1020922939.db2.gz IHNBCWIEYHTUKT-JKSUJKDBSA-N 1 1 308.466 3.817 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)CCOc1ccccc1C(F)(F)F ZINC000739913842 1020924517 /nfs/dbraw/zinc/92/45/17/1020924517.db2.gz BLESWRGTFPFJFD-UHFFFAOYSA-N 1 1 314.351 3.956 20 30 DHEDMO CC(C)C[N@H+](CCC#N)CCOc1ccccc1C(F)(F)F ZINC000739913842 1020924523 /nfs/dbraw/zinc/92/45/23/1020924523.db2.gz BLESWRGTFPFJFD-UHFFFAOYSA-N 1 1 314.351 3.956 20 30 DHEDMO CC[N@H+]1CC[C@H](N(C)c2nc(C(C)(C)C)ccc2C#N)C[C@H]1C ZINC000613425672 1020949588 /nfs/dbraw/zinc/94/95/88/1020949588.db2.gz FKKAAGXFECPQEE-ZBFHGGJFSA-N 1 1 314.477 3.560 20 30 DHEDMO CC(C)(CC#N)C[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000414162204 1020950164 /nfs/dbraw/zinc/95/01/64/1020950164.db2.gz GTFNNNGQTGCBOP-KRWDZBQOSA-N 1 1 315.367 3.979 20 30 DHEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613431307 1020954815 /nfs/dbraw/zinc/95/48/15/1020954815.db2.gz VLSVBBJGMQOUDZ-KRWDZBQOSA-N 1 1 320.440 3.849 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000613492109 1021000289 /nfs/dbraw/zinc/00/02/89/1021000289.db2.gz HSXPFGMNXLYUGC-KRWDZBQOSA-N 1 1 320.864 3.902 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000613492109 1021000294 /nfs/dbraw/zinc/00/02/94/1021000294.db2.gz HSXPFGMNXLYUGC-KRWDZBQOSA-N 1 1 320.864 3.902 20 30 DHEDMO C[N@@H+](CCCC(C)(C)C#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174881650 1021006844 /nfs/dbraw/zinc/00/68/44/1021006844.db2.gz DSAOFIGSMSBJIE-LJQANCHMSA-N 1 1 313.489 3.770 20 30 DHEDMO C[NH+](CCCC(C)(C)C#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174881650 1021006851 /nfs/dbraw/zinc/00/68/51/1021006851.db2.gz DSAOFIGSMSBJIE-LJQANCHMSA-N 1 1 313.489 3.770 20 30 DHEDMO C[N@H+](CCCC(C)(C)C#N)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000174881650 1021006862 /nfs/dbraw/zinc/00/68/62/1021006862.db2.gz DSAOFIGSMSBJIE-LJQANCHMSA-N 1 1 313.489 3.770 20 30 DHEDMO C[N@@H+](CCCC(C)(C)C#N)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000174881650 1021006866 /nfs/dbraw/zinc/00/68/66/1021006866.db2.gz DSAOFIGSMSBJIE-LJQANCHMSA-N 1 1 313.489 3.770 20 30 DHEDMO C[C@H]1C[C@H]([N@@H+](C)CCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000131779983 1032948749 /nfs/dbraw/zinc/94/87/49/1032948749.db2.gz ROXBJPRQNQBNJS-PKOBYXMFSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@H]1C[C@H](N(C)CCC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000131779983 1032948762 /nfs/dbraw/zinc/94/87/62/1032948762.db2.gz ROXBJPRQNQBNJS-PKOBYXMFSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@H]1C[C@H](N(C)CCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000131779983 1032948774 /nfs/dbraw/zinc/94/87/74/1032948774.db2.gz ROXBJPRQNQBNJS-PKOBYXMFSA-N 1 1 313.489 3.911 20 30 DHEDMO O[C@H](C[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)c1cccs1 ZINC000248886763 1021027244 /nfs/dbraw/zinc/02/72/44/1021027244.db2.gz RBXCPJSMMTWPGD-ZWKOTPCHSA-N 1 1 311.450 3.688 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000829784034 1021036193 /nfs/dbraw/zinc/03/61/93/1021036193.db2.gz FAJDMINRTHLMGP-CYBMUJFWSA-N 1 1 315.804 3.625 20 30 DHEDMO CCCCOC(=O)[C@@H](C)[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000741780021 1021050097 /nfs/dbraw/zinc/05/00/97/1021050097.db2.gz GSHQXOGOGJIHOQ-OAHLLOKOSA-N 1 1 302.418 3.500 20 30 DHEDMO CCCCOC(=O)[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000741780021 1021050104 /nfs/dbraw/zinc/05/01/04/1021050104.db2.gz GSHQXOGOGJIHOQ-OAHLLOKOSA-N 1 1 302.418 3.500 20 30 DHEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccccc2OC(F)F)c1 ZINC000742381150 1021108725 /nfs/dbraw/zinc/10/87/25/1021108725.db2.gz PYAGYOFNMPFVNP-UHFFFAOYSA-N 1 1 306.287 3.589 20 30 DHEDMO CC(C)[C@@](C)(C#N)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171971746 1032956710 /nfs/dbraw/zinc/95/67/10/1032956710.db2.gz JUZULYQWALNCFS-AZUAARDMSA-N 1 1 313.489 3.957 20 30 DHEDMO Cn1cc[nH+]c1C[C@H](/N=C\c1ccccc1O)c1ccccc1 ZINC000743044603 1021207622 /nfs/dbraw/zinc/20/76/22/1021207622.db2.gz MSNXQHJAEYNXFI-XESZTULISA-N 1 1 305.381 3.529 20 30 DHEDMO CC[N@H+](CCC#N)Cc1cc(Br)cc2cccnc21 ZINC000163572829 1021262492 /nfs/dbraw/zinc/26/24/92/1021262492.db2.gz JFFIMFZXJWDHBR-UHFFFAOYSA-N 1 1 318.218 3.733 20 30 DHEDMO CC[N@@H+](CCC#N)Cc1cc(Br)cc2cccnc21 ZINC000163572829 1021262511 /nfs/dbraw/zinc/26/25/11/1021262511.db2.gz JFFIMFZXJWDHBR-UHFFFAOYSA-N 1 1 318.218 3.733 20 30 DHEDMO CCC[NH+]1CCC(/N=C\c2cc(Cl)cc(Cl)c2O)CC1 ZINC000743334505 1021263508 /nfs/dbraw/zinc/26/35/08/1021263508.db2.gz ZKOUBMQPUCKOBW-ZDLGFXPLSA-N 1 1 315.244 3.992 20 30 DHEDMO C=CCCCCC[N@H+](C)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000743372231 1021271286 /nfs/dbraw/zinc/27/12/86/1021271286.db2.gz ZQIFPTRKUDOIKS-WMZOPIPTSA-N 1 1 300.446 3.842 20 30 DHEDMO CC[N@@H+](CCC1CCN(c2ccc(C#N)cn2)CC1)CC(C)C ZINC000538005465 1032969218 /nfs/dbraw/zinc/96/92/18/1032969218.db2.gz WKYJIIISJMGPKB-UHFFFAOYSA-N 1 1 314.477 3.538 20 30 DHEDMO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccc(C#N)c1 ZINC000743495483 1021312489 /nfs/dbraw/zinc/31/24/89/1021312489.db2.gz GHNFVOWKGIHQNY-LLVKDONJSA-N 1 1 315.760 3.971 20 30 DHEDMO C=CCCCN(C)C(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000659270267 1021314987 /nfs/dbraw/zinc/31/49/87/1021314987.db2.gz VQBHDADPSISWTO-AWEZNQCLSA-N 1 1 315.244 3.679 20 30 DHEDMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000618284505 1021345237 /nfs/dbraw/zinc/34/52/37/1021345237.db2.gz NQDWZGPGPAGKBD-IBGZPJMESA-N 1 1 313.489 3.913 20 30 DHEDMO C[N@H+](Cc1ccccc1)[C@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000618284505 1021345254 /nfs/dbraw/zinc/34/52/54/1021345254.db2.gz NQDWZGPGPAGKBD-IBGZPJMESA-N 1 1 313.489 3.913 20 30 DHEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000618284505 1021345271 /nfs/dbraw/zinc/34/52/71/1021345271.db2.gz NQDWZGPGPAGKBD-IBGZPJMESA-N 1 1 313.489 3.913 20 30 DHEDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000618324057 1021353502 /nfs/dbraw/zinc/35/35/02/1021353502.db2.gz KQEVTQZVIZCUBL-LJQANCHMSA-N 1 1 300.446 3.615 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)c1cc(C)cc(C)c1 ZINC000743843481 1021370905 /nfs/dbraw/zinc/37/09/05/1021370905.db2.gz ZEFZQDNLVWCOBP-FQEVSTJZSA-N 1 1 311.400 3.611 20 30 DHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(OCC#N)cc2)C1 ZINC000743868900 1021397799 /nfs/dbraw/zinc/39/77/99/1021397799.db2.gz HEVNGMNMMVRZOU-WBVHZDCISA-N 1 1 304.459 3.695 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccc(OCC#N)cc1 ZINC000182009595 1021435346 /nfs/dbraw/zinc/43/53/46/1021435346.db2.gz AHWJCSBIEGLESY-OAHLLOKOSA-N 1 1 324.428 3.751 20 30 DHEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)c1cccc(C#N)c1 ZINC000189781859 1021440410 /nfs/dbraw/zinc/44/04/10/1021440410.db2.gz ZZJVOCAQHUQXFU-AWEZNQCLSA-N 1 1 308.381 3.870 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCC(=O)c2ccc(F)cc2)C2CC2)cc1 ZINC000182103167 1021477732 /nfs/dbraw/zinc/47/77/32/1021477732.db2.gz GJAQIOMMOHPPMT-UHFFFAOYSA-N 1 1 322.383 3.935 20 30 DHEDMO C[C@@]1(C#N)CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172091051 1032985646 /nfs/dbraw/zinc/98/56/46/1032985646.db2.gz ZZSRRCRWVLAANB-BQJUDKOJSA-N 1 1 323.484 3.808 20 30 DHEDMO Cc1oc(NC(=O)C[N@H+]2CCCC23CCCCC3)c(C#N)c1C ZINC000408009592 1021504515 /nfs/dbraw/zinc/50/45/15/1021504515.db2.gz LYWXDYNFKSGJCH-UHFFFAOYSA-N 1 1 315.417 3.505 20 30 DHEDMO C=C[C@@H](CC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000556074594 1021513490 /nfs/dbraw/zinc/51/34/90/1021513490.db2.gz DASQTSGYZSVBNO-PKOBYXMFSA-N 1 1 314.473 3.679 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1nccs1 ZINC000414499805 1021515547 /nfs/dbraw/zinc/51/55/47/1021515547.db2.gz ZYJIHSHOIXEHRS-VIFPVBQESA-N 1 1 311.332 3.884 20 30 DHEDMO CCOc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)[nH+]c1C ZINC000850411230 1021518367 /nfs/dbraw/zinc/51/83/67/1021518367.db2.gz SAFPPRKPJKQXTO-CYBMUJFWSA-N 1 1 311.385 3.692 20 30 DHEDMO Cc1cccc2c1C[N@@H+](Cc1ccc(N(C)CCC#N)cc1)CC2 ZINC000763503890 1021529423 /nfs/dbraw/zinc/52/94/23/1021529423.db2.gz JAWGNEMHHDFKIQ-UHFFFAOYSA-N 1 1 319.452 3.903 20 30 DHEDMO CCCCCCC[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000744411439 1021536971 /nfs/dbraw/zinc/53/69/71/1021536971.db2.gz DHYAZSJILIGRSA-UHFFFAOYSA-N 1 1 316.445 3.972 20 30 DHEDMO C(#Cc1ccccc1)CNC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000892738156 1021588887 /nfs/dbraw/zinc/58/88/87/1021588887.db2.gz SIHAZLDNKVOIKL-IBGZPJMESA-N 1 1 324.493 3.601 20 30 DHEDMO C(#Cc1ccccc1)C[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000892738156 1021588901 /nfs/dbraw/zinc/58/89/01/1021588901.db2.gz SIHAZLDNKVOIKL-IBGZPJMESA-N 1 1 324.493 3.601 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)CCc2cccs2)cc(OC)c1O ZINC000093685412 1021650469 /nfs/dbraw/zinc/65/04/69/1021650469.db2.gz FBFPGDDFEANJGX-UHFFFAOYSA-N 1 1 317.454 3.865 20 30 DHEDMO CC[C@H](CC#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068104 1032996927 /nfs/dbraw/zinc/99/69/27/1032996927.db2.gz SUCLHWDZLDZFMD-YSTOQKLRSA-N 1 1 311.473 3.854 20 30 DHEDMO C=C(Br)C[NH+]1CCC(c2ccc(OC)cc2)CC1 ZINC000745946425 1021800604 /nfs/dbraw/zinc/80/06/04/1021800604.db2.gz DFHGNILMGIVSCT-UHFFFAOYSA-N 1 1 310.235 3.783 20 30 DHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000619621179 1021811117 /nfs/dbraw/zinc/81/11/17/1021811117.db2.gz CEBNSQZBBHBNBE-KBPBESRZSA-N 1 1 318.383 3.750 20 30 DHEDMO COc1cccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1F ZINC000619725190 1021853366 /nfs/dbraw/zinc/85/33/66/1021853366.db2.gz LWWZBQLCANDYLQ-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO COc1cccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1F ZINC000619725190 1021853377 /nfs/dbraw/zinc/85/33/77/1021853377.db2.gz LWWZBQLCANDYLQ-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)cc1Cl ZINC000619748877 1021886201 /nfs/dbraw/zinc/88/62/01/1021886201.db2.gz RFICBZMMWTVSGQ-UHFFFAOYSA-N 1 1 322.799 3.892 20 30 DHEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)CCc1cccs1 ZINC000746168619 1021886954 /nfs/dbraw/zinc/88/69/54/1021886954.db2.gz SPVGKJVFMBIIPC-UHFFFAOYSA-N 1 1 314.454 3.953 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001127520407 1021895758 /nfs/dbraw/zinc/89/57/58/1021895758.db2.gz RNJAAYDXOGVHRL-BBRMVZONSA-N 1 1 308.853 3.804 20 30 DHEDMO COc1ccc(C[N@H+](C)CC#Cc2cccc(Cl)c2)cc1F ZINC000746283639 1021902566 /nfs/dbraw/zinc/90/25/66/1021902566.db2.gz RMPHBNJUTQZKHK-UHFFFAOYSA-N 1 1 317.791 3.971 20 30 DHEDMO COc1ccc(C[N@@H+](C)CC#Cc2cccc(Cl)c2)cc1F ZINC000746283639 1021902589 /nfs/dbraw/zinc/90/25/89/1021902589.db2.gz RMPHBNJUTQZKHK-UHFFFAOYSA-N 1 1 317.791 3.971 20 30 DHEDMO CC(C)Cn1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cn1 ZINC000183062971 1021946268 /nfs/dbraw/zinc/94/62/68/1021946268.db2.gz GSWGXXJPUCVEMR-UHFFFAOYSA-N 1 1 310.445 3.821 20 30 DHEDMO CCCC[N@@H+](C)C[C@H](C)Nc1nc(C(F)(F)F)ccc1C#N ZINC000341138798 1022013779 /nfs/dbraw/zinc/01/37/79/1022013779.db2.gz LSVVOHXTEJPWHH-NSHDSACASA-N 1 1 314.355 3.504 20 30 DHEDMO CC1CCC([N@@H+](CC(=O)Nc2sccc2C#N)C2CC2)CC1 ZINC000053170362 1022085415 /nfs/dbraw/zinc/08/54/15/1022085415.db2.gz YJPASFLPWUZQND-UHFFFAOYSA-N 1 1 317.458 3.601 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1cccc(SC(=O)N(C)C)c1 ZINC000752299330 1022088095 /nfs/dbraw/zinc/08/80/95/1022088095.db2.gz ZZCSVNOYEIYYCI-UHFFFAOYSA-N 1 1 319.474 3.832 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1cccc(SC(=O)N(C)C)c1 ZINC000752299330 1022088113 /nfs/dbraw/zinc/08/81/13/1022088113.db2.gz ZZCSVNOYEIYYCI-UHFFFAOYSA-N 1 1 319.474 3.832 20 30 DHEDMO CC[C@@H](C)[N@H+](CC)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000852291228 1022100287 /nfs/dbraw/zinc/10/02/87/1022100287.db2.gz RUELMCACWWPIGK-OLZOCXBDSA-N 1 1 315.442 3.593 20 30 DHEDMO CC[C@@H](C)[N@@H+](CC)CC(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000852291228 1022100293 /nfs/dbraw/zinc/10/02/93/1022100293.db2.gz RUELMCACWWPIGK-OLZOCXBDSA-N 1 1 315.442 3.593 20 30 DHEDMO CN(C)C(=O)Sc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000852319239 1022104238 /nfs/dbraw/zinc/10/42/38/1022104238.db2.gz IEPIZLBOUAYMLB-CQSZACIVSA-N 1 1 317.458 3.586 20 30 DHEDMO Cc1cccc(-c2nnc([C@@H](C)[N@@H+]3CCC[C@H](CC#N)C3)o2)c1 ZINC000852318843 1022104823 /nfs/dbraw/zinc/10/48/23/1022104823.db2.gz CMJZXTMLJHTVOE-HUUCEWRRSA-N 1 1 310.401 3.732 20 30 DHEDMO Cc1cccc(-c2nnc([C@@H](C)[N@H+]3CCC[C@H](CC#N)C3)o2)c1 ZINC000852318843 1022104854 /nfs/dbraw/zinc/10/48/54/1022104854.db2.gz CMJZXTMLJHTVOE-HUUCEWRRSA-N 1 1 310.401 3.732 20 30 DHEDMO Cc1cccc(-c2nnc([C@H](C)[N@@H+]3CCC[C@@H](CC#N)C3)o2)c1 ZINC000852318842 1022105259 /nfs/dbraw/zinc/10/52/59/1022105259.db2.gz CMJZXTMLJHTVOE-GJZGRUSLSA-N 1 1 310.401 3.732 20 30 DHEDMO Cc1cccc(-c2nnc([C@H](C)[N@H+]3CCC[C@@H](CC#N)C3)o2)c1 ZINC000852318842 1022105265 /nfs/dbraw/zinc/10/52/65/1022105265.db2.gz CMJZXTMLJHTVOE-GJZGRUSLSA-N 1 1 310.401 3.732 20 30 DHEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000852332048 1022107672 /nfs/dbraw/zinc/10/76/72/1022107672.db2.gz FIZCXLHEKIFBQB-ZJOUEHCJSA-N 1 1 317.436 3.742 20 30 DHEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000852332048 1022107677 /nfs/dbraw/zinc/10/76/77/1022107677.db2.gz FIZCXLHEKIFBQB-ZJOUEHCJSA-N 1 1 317.436 3.742 20 30 DHEDMO Fc1cc(F)cc(N=NC2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000920374728 1022111016 /nfs/dbraw/zinc/11/10/16/1022111016.db2.gz JWCMGJFHRYPECY-UHFFFAOYSA-N 1 1 301.340 3.639 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000076152564 1022114217 /nfs/dbraw/zinc/11/42/17/1022114217.db2.gz IHJJVKUNPWAJJO-MOPGFXCFSA-N 1 1 321.380 3.867 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000076152564 1022114223 /nfs/dbraw/zinc/11/42/23/1022114223.db2.gz IHJJVKUNPWAJJO-MOPGFXCFSA-N 1 1 321.380 3.867 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+](Cc2ccccc2F)CC2CC2)cc1 ZINC000852564077 1022139300 /nfs/dbraw/zinc/13/93/00/1022139300.db2.gz KRDJYCPIIIZTSH-HXUWFJFHSA-N 1 1 324.399 3.643 20 30 DHEDMO C[C@H]1C[C@@H]([N@@H+](CCC#N)C2CCCC2)CN1C(=O)OC(C)(C)C ZINC001168869050 1022158161 /nfs/dbraw/zinc/15/81/61/1022158161.db2.gz VXONMQBTLJXVKM-GOEBONIOSA-N 1 1 321.465 3.543 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)C[C@@H]1COc2ccccc2O1 ZINC000620643808 1022212061 /nfs/dbraw/zinc/21/20/61/1022212061.db2.gz NCNBMSYTCWCAME-CQSZACIVSA-N 1 1 301.411 3.576 20 30 DHEDMO N#CCC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038814 1022223088 /nfs/dbraw/zinc/22/30/88/1022223088.db2.gz KNTVFZUBBNXVBX-GOEBONIOSA-N 1 1 321.808 3.501 20 30 DHEDMO C=C(C)CN(CC)C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000153743738 1022246626 /nfs/dbraw/zinc/24/66/26/1022246626.db2.gz XSROWVVQGRNZDD-UHFFFAOYSA-N 1 1 302.462 3.955 20 30 DHEDMO N#Cc1c(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cn2ccccc12 ZINC000337515386 1033042328 /nfs/dbraw/zinc/04/23/28/1033042328.db2.gz URWFWGILYIWNGF-OAHLLOKOSA-N 1 1 319.383 3.940 20 30 DHEDMO C#CCOc1ccccc1C[NH2+]Cc1ccccc1OCC=C ZINC000111395330 1022286362 /nfs/dbraw/zinc/28/63/62/1022286362.db2.gz ANLDDCXNPZMNOM-UHFFFAOYSA-N 1 1 307.393 3.553 20 30 DHEDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H](CC#N)C3)c2c1 ZINC000853525603 1022286569 /nfs/dbraw/zinc/28/65/69/1022286569.db2.gz GYUIJHNPLWHVGN-AWEZNQCLSA-N 1 1 310.397 3.680 20 30 DHEDMO CCC[C@@H](C#N)N(C)C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000339172456 1022295348 /nfs/dbraw/zinc/29/53/48/1022295348.db2.gz MPWBWKYTELSVDL-SFHVURJKSA-N 1 1 315.461 3.681 20 30 DHEDMO C[N@@H+](C[C@H](C#N)CCC#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000609574964 1022303515 /nfs/dbraw/zinc/30/35/15/1022303515.db2.gz HBLOCBVWRASZHH-QXAKKESOSA-N 1 1 311.429 3.530 20 30 DHEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CCCC1 ZINC000620784975 1022305560 /nfs/dbraw/zinc/30/55/60/1022305560.db2.gz WWWMEFOOHKUMGD-GOSISDBHSA-N 1 1 312.457 3.514 20 30 DHEDMO CC[C@H]1c2ccccc2CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000609625746 1022317643 /nfs/dbraw/zinc/31/76/43/1022317643.db2.gz XRJZSBYSIGVFCE-FQEVSTJZSA-N 1 1 306.409 3.946 20 30 DHEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(OCc2ccccc2F)nc1 ZINC001169243692 1022322971 /nfs/dbraw/zinc/32/29/71/1022322971.db2.gz TWIAHKSMPIDVRH-UHFFFAOYSA-N 1 1 312.388 3.643 20 30 DHEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000609672474 1022328779 /nfs/dbraw/zinc/32/87/79/1022328779.db2.gz CDYAUUCBAPRGGS-QFBILLFUSA-N 1 1 306.409 3.815 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000609797458 1022349843 /nfs/dbraw/zinc/34/98/43/1022349843.db2.gz FAJVGTZTLYZLMP-IBGZPJMESA-N 1 1 320.285 3.999 20 30 DHEDMO C[C@H](C#N)C[N@@H+](C)CC/C=C\c1ccc(Br)cc1 ZINC000609766366 1022349994 /nfs/dbraw/zinc/34/99/94/1022349994.db2.gz CZVSEAFIZXSTRB-HSBHDXMMSA-N 1 1 307.235 3.944 20 30 DHEDMO CC1(C)C[N@H+](Cc2ccc(OCC#N)cc2)[C@H]1c1cccnc1 ZINC000854039983 1022393929 /nfs/dbraw/zinc/39/39/29/1022393929.db2.gz NOXJFIQWYCDHGX-SFHVURJKSA-N 1 1 307.397 3.567 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)[C@H]1c1cccnc1 ZINC000854039983 1022393948 /nfs/dbraw/zinc/39/39/48/1022393948.db2.gz NOXJFIQWYCDHGX-SFHVURJKSA-N 1 1 307.397 3.567 20 30 DHEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000610001807 1022398388 /nfs/dbraw/zinc/39/83/88/1022398388.db2.gz AECBWAOVYNYRLZ-SJORKVTESA-N 1 1 319.493 3.572 20 30 DHEDMO CC1(C)C[N@@H+](CCCOc2ccc(C#N)cc2)[C@H]1c1ccncc1 ZINC000854043804 1022398646 /nfs/dbraw/zinc/39/86/46/1022398646.db2.gz TZOCHBYJOWTDDM-IBGZPJMESA-N 1 1 321.424 3.805 20 30 DHEDMO C=CC[N@@H+](CCOc1ccccc1OC)Cc1ccccc1F ZINC000615352830 1022455302 /nfs/dbraw/zinc/45/53/02/1022455302.db2.gz OBCALCXLVBRKBP-UHFFFAOYSA-N 1 1 315.388 3.901 20 30 DHEDMO C=CC[N@H+](CCOc1ccccc1OC)Cc1ccccc1F ZINC000615352830 1022455304 /nfs/dbraw/zinc/45/53/04/1022455304.db2.gz OBCALCXLVBRKBP-UHFFFAOYSA-N 1 1 315.388 3.901 20 30 DHEDMO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](CC1CCC(C#N)CC1)C1CC1 ZINC000930715950 1022538877 /nfs/dbraw/zinc/53/88/77/1022538877.db2.gz VFJHNZLUXFGKLE-NFOMZHRRSA-N 1 1 306.450 3.511 20 30 DHEDMO C=CCN(C)CC[N@@H+](CC)CCSc1cccc(Cl)c1 ZINC001169845093 1022565677 /nfs/dbraw/zinc/56/56/77/1022565677.db2.gz RMMRBVWWKSFTDN-UHFFFAOYSA-N 1 1 312.910 3.872 20 30 DHEDMO C=CC[N@@H+](C)CCN(CC)CCSc1cccc(Cl)c1 ZINC001169845093 1022565682 /nfs/dbraw/zinc/56/56/82/1022565682.db2.gz RMMRBVWWKSFTDN-UHFFFAOYSA-N 1 1 312.910 3.872 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)CCSc1cccc(Cl)c1 ZINC001169845093 1022565689 /nfs/dbraw/zinc/56/56/89/1022565689.db2.gz RMMRBVWWKSFTDN-UHFFFAOYSA-N 1 1 312.910 3.872 20 30 DHEDMO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000179898792 1022568438 /nfs/dbraw/zinc/56/84/38/1022568438.db2.gz BNOZFRUJNBRQEW-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](CCc1ccccc1)C1CC1 ZINC000766895619 1022605826 /nfs/dbraw/zinc/60/58/26/1022605826.db2.gz NTIYDWPPXPHREI-UHFFFAOYSA-N 1 1 306.409 3.774 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(C#N)cc1OC)[C@@H]1CCc2ccccc21 ZINC000766894349 1022606272 /nfs/dbraw/zinc/60/62/72/1022606272.db2.gz FDSKLSAFJWRTLE-HXUWFJFHSA-N 1 1 316.404 3.690 20 30 DHEDMO C#CC[N@H+](Cc1ccc(C#N)cc1OC)[C@@H]1CCc2ccccc21 ZINC000766894349 1022606275 /nfs/dbraw/zinc/60/62/75/1022606275.db2.gz FDSKLSAFJWRTLE-HXUWFJFHSA-N 1 1 316.404 3.690 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766944356 1022615036 /nfs/dbraw/zinc/61/50/36/1022615036.db2.gz DUUKFGAJJDXDCK-ZWKOTPCHSA-N 1 1 307.482 3.669 20 30 DHEDMO C=CC[N@H+](Cc1c(C)nc2ccccn21)Cc1ccc(OC)cc1 ZINC000158596664 1022644935 /nfs/dbraw/zinc/64/49/35/1022644935.db2.gz ASSQYNVYPWZVOO-UHFFFAOYSA-N 1 1 321.424 3.840 20 30 DHEDMO C=CC[N@@H+](Cc1c(C)nc2ccccn21)Cc1ccc(OC)cc1 ZINC000158596664 1022644941 /nfs/dbraw/zinc/64/49/41/1022644941.db2.gz ASSQYNVYPWZVOO-UHFFFAOYSA-N 1 1 321.424 3.840 20 30 DHEDMO C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@H]1C(=O)OC(C)(C)C ZINC000584720393 1022660651 /nfs/dbraw/zinc/66/06/51/1022660651.db2.gz HEHDEPCDSFXZKV-LSDHHAIUSA-N 1 1 308.466 3.616 20 30 DHEDMO C=CC[C@H]1N(C(=O)CCCn2cc[nH+]c2C)CCCC1(C)C ZINC000767229035 1022671353 /nfs/dbraw/zinc/67/13/53/1022671353.db2.gz QWSGTYHHXAAHCL-MRXNPFEDSA-N 1 1 303.450 3.565 20 30 DHEDMO CC(C)(CN[C@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCCC1 ZINC000616367091 1022702178 /nfs/dbraw/zinc/70/21/78/1022702178.db2.gz JDIFAKISJFAJPP-IBGZPJMESA-N 1 1 311.473 3.647 20 30 DHEDMO N#Cc1cccc(C[NH2+]Cc2ccc(F)cc2Br)c1 ZINC000037749388 1022764239 /nfs/dbraw/zinc/76/42/39/1022764239.db2.gz NZRYMGIXMJIAIL-UHFFFAOYSA-N 1 1 319.177 3.750 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC001172311681 1033080053 /nfs/dbraw/zinc/08/00/53/1033080053.db2.gz VUUIRKGEDISYSJ-KRWDZBQOSA-N 1 1 322.452 3.762 20 30 DHEDMO COc1ccc(C[N@@H+](C)CCCOc2ccc(C#N)cc2)cc1C ZINC000071959576 1022784359 /nfs/dbraw/zinc/78/43/59/1022784359.db2.gz GYOFTZSGAFWHES-UHFFFAOYSA-N 1 1 324.424 3.776 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@H]2CSC)c1O ZINC000767770192 1022804758 /nfs/dbraw/zinc/80/47/58/1022804758.db2.gz HHOKOBWKFNSKCK-INIZCTEOSA-N 1 1 321.486 3.847 20 30 DHEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc(F)cc1Cl ZINC000767920617 1022833521 /nfs/dbraw/zinc/83/35/21/1022833521.db2.gz LDHNHXXLZFRIHC-UHFFFAOYSA-N 1 1 303.764 3.781 20 30 DHEDMO C=CC[C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000617044208 1022835662 /nfs/dbraw/zinc/83/56/62/1022835662.db2.gz KAHFBFOFNNCPLN-ARFHVFGLSA-N 1 1 303.450 3.648 20 30 DHEDMO C=CCC[C@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617344727 1022915691 /nfs/dbraw/zinc/91/56/91/1022915691.db2.gz OJXCDTWPMKPNNI-ROUUACIJSA-N 1 1 314.473 3.725 20 30 DHEDMO C#CCCCCCC[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000876560041 1033091615 /nfs/dbraw/zinc/09/16/15/1033091615.db2.gz BRHHZKBMCSZVIY-MRXNPFEDSA-N 1 1 321.486 3.667 20 30 DHEDMO C#CCCCCCC[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000876560039 1033092194 /nfs/dbraw/zinc/09/21/94/1033092194.db2.gz BRHHZKBMCSZVIY-INIZCTEOSA-N 1 1 321.486 3.667 20 30 DHEDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000768211501 1022925562 /nfs/dbraw/zinc/92/55/62/1022925562.db2.gz ZZTXVEMXVYEMLP-NSHDSACASA-N 1 1 301.371 3.721 20 30 DHEDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000768211501 1022925571 /nfs/dbraw/zinc/92/55/71/1022925571.db2.gz ZZTXVEMXVYEMLP-NSHDSACASA-N 1 1 301.371 3.721 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000768216229 1022927110 /nfs/dbraw/zinc/92/71/10/1022927110.db2.gz SGMWDILDUUUZDO-UHFFFAOYSA-N 1 1 319.404 3.694 20 30 DHEDMO Cc1csc([C@@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)n1 ZINC000069168247 1022927404 /nfs/dbraw/zinc/92/74/04/1022927404.db2.gz QDWVMBZKDIJRQS-CQSZACIVSA-N 1 1 315.442 3.985 20 30 DHEDMO CCOc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(O)c1 ZINC000768257545 1022934405 /nfs/dbraw/zinc/93/44/05/1022934405.db2.gz LUXSGXJPPLUUCP-UHFFFAOYSA-N 1 1 322.408 3.827 20 30 DHEDMO CCCCOc1cc(C[NH2+]CC2(C#N)CCC2)ccc1OC ZINC000418143412 1022975257 /nfs/dbraw/zinc/97/52/57/1022975257.db2.gz PIVICLJORBJUKS-UHFFFAOYSA-N 1 1 302.418 3.658 20 30 DHEDMO CCCC[N@H+](C)c1ccc(NC[C@H](O)CC(C)(C)C#N)cc1 ZINC000857238108 1022976087 /nfs/dbraw/zinc/97/60/87/1022976087.db2.gz DFGVIPCGXGPRFD-QGZVFWFLSA-N 1 1 303.450 3.636 20 30 DHEDMO CCCC[N@@H+](C)c1ccc(NC[C@H](O)CC(C)(C)C#N)cc1 ZINC000857238108 1022976096 /nfs/dbraw/zinc/97/60/96/1022976096.db2.gz DFGVIPCGXGPRFD-QGZVFWFLSA-N 1 1 303.450 3.636 20 30 DHEDMO N#CC1(C[NH2+]Cc2cnc(-c3ccccc3F)s2)CCC1 ZINC000418145940 1022976191 /nfs/dbraw/zinc/97/61/91/1022976191.db2.gz ZRKRCQISHSKHRV-UHFFFAOYSA-N 1 1 301.390 3.733 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCCC[C@@H](CCOC)C2)cc1 ZINC000768541174 1022985099 /nfs/dbraw/zinc/98/50/99/1022985099.db2.gz LEOMXJKVRAOQRT-SFHVURJKSA-N 1 1 315.457 3.727 20 30 DHEDMO C[NH+]1CCN(N=CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000768764896 1023014247 /nfs/dbraw/zinc/01/42/47/1023014247.db2.gz XELLJWRKLZLYQK-UHFFFAOYSA-N 1 1 314.260 3.549 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccccn1 ZINC000768926905 1023057879 /nfs/dbraw/zinc/05/78/79/1023057879.db2.gz SDLJHOBDYLGSQY-MRXNPFEDSA-N 1 1 309.413 3.783 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCOc3ccccc3[C@H]2C)cc1 ZINC000768928574 1023060761 /nfs/dbraw/zinc/06/07/61/1023060761.db2.gz BIILVCDYJOIVOK-HZPDHXFCSA-N 1 1 322.408 3.933 20 30 DHEDMO CC[N@H+](Cc1cccc(C#N)c1F)C[C@H](O)c1ccc(C)cc1 ZINC000769161974 1023094974 /nfs/dbraw/zinc/09/49/74/1023094974.db2.gz CDLQWMILMNXPJT-SFHVURJKSA-N 1 1 312.388 3.561 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000538570003 1033104969 /nfs/dbraw/zinc/10/49/69/1033104969.db2.gz LKMIJSUQNWDTPQ-IBGZPJMESA-N 1 1 301.430 3.642 20 30 DHEDMO CCOc1ccc(O)c(C[N@@H+](CCC#N)CC(CC)CC)c1 ZINC000769334356 1023126896 /nfs/dbraw/zinc/12/68/96/1023126896.db2.gz CPZQRWFWKRCCGO-UHFFFAOYSA-N 1 1 304.434 3.943 20 30 DHEDMO COc1ccc(Cl)cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000015107269 1023149000 /nfs/dbraw/zinc/14/90/00/1023149000.db2.gz UYKFLRQQHZOMLU-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO COc1ccc(Cl)cc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000015107269 1023148993 /nfs/dbraw/zinc/14/89/93/1023148993.db2.gz UYKFLRQQHZOMLU-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO CCc1ccc(N2CC[NH+](Cc3cc(C#N)cs3)CC2)cc1 ZINC000769499377 1023166623 /nfs/dbraw/zinc/16/66/23/1023166623.db2.gz SVXFHQWJENQHNR-UHFFFAOYSA-N 1 1 311.454 3.504 20 30 DHEDMO C#CC[N@H+](Cc1cc(Cl)c(OC)c(OC)c1)C1CCCC1 ZINC000769531736 1023173639 /nfs/dbraw/zinc/17/36/39/1023173639.db2.gz WKZNHGNICUFFSU-UHFFFAOYSA-N 1 1 307.821 3.735 20 30 DHEDMO C#CC[N@H+](Cc1cc(Br)ccc1O)C1CCCC1 ZINC000769529953 1023174292 /nfs/dbraw/zinc/17/42/92/1023174292.db2.gz ITHZIJNCXLNYLL-UHFFFAOYSA-N 1 1 308.219 3.533 20 30 DHEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OCCCCC2(C#N)CCC2)C1 ZINC000909335602 1023243453 /nfs/dbraw/zinc/24/34/53/1023243453.db2.gz RNBTWCAOPJSHRZ-GOSISDBHSA-N 1 1 324.440 3.606 20 30 DHEDMO CCc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)s1 ZINC000770393521 1023304366 /nfs/dbraw/zinc/30/43/66/1023304366.db2.gz YUQBZFMYQVCVDF-GOSISDBHSA-N 1 1 312.438 3.756 20 30 DHEDMO CCc1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)s1 ZINC000770393521 1023304376 /nfs/dbraw/zinc/30/43/76/1023304376.db2.gz YUQBZFMYQVCVDF-GOSISDBHSA-N 1 1 312.438 3.756 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000876715906 1033129581 /nfs/dbraw/zinc/12/95/81/1033129581.db2.gz CNKHQJMXFMUBEF-ZDUSSCGKSA-N 1 1 315.779 3.735 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000876715906 1033129586 /nfs/dbraw/zinc/12/95/86/1033129586.db2.gz CNKHQJMXFMUBEF-ZDUSSCGKSA-N 1 1 315.779 3.735 20 30 DHEDMO C=CC[C@H]1CC[C@@H](Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000651656606 1023424086 /nfs/dbraw/zinc/42/40/86/1023424086.db2.gz JNEDDIQZUYYYBF-QFBILLFUSA-N 1 1 300.446 3.676 20 30 DHEDMO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1noc(Cc2ccccc2)n1 ZINC000661117892 1023487994 /nfs/dbraw/zinc/48/79/94/1023487994.db2.gz UYCZKMLSJSJXQT-IRXDYDNUSA-N 1 1 311.429 3.885 20 30 DHEDMO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1noc(Cc2ccccc2)n1 ZINC000661117890 1023488090 /nfs/dbraw/zinc/48/80/90/1023488090.db2.gz UYCZKMLSJSJXQT-DLBZAZTESA-N 1 1 311.429 3.885 20 30 DHEDMO C=CC[N@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@@H](C)COC ZINC000661248497 1023538480 /nfs/dbraw/zinc/53/84/80/1023538480.db2.gz UTIAJNXFGCWGJD-ZDUSSCGKSA-N 1 1 304.365 3.504 20 30 DHEDMO C=CC[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)[C@@H](C)COC ZINC000661248497 1023538488 /nfs/dbraw/zinc/53/84/88/1023538488.db2.gz UTIAJNXFGCWGJD-ZDUSSCGKSA-N 1 1 304.365 3.504 20 30 DHEDMO C=CC[N@H+](Cc1coc(-c2ccc(C)cc2)n1)[C@H](C)COC ZINC000661246564 1023541583 /nfs/dbraw/zinc/54/15/83/1023541583.db2.gz IKOIWJWSLXRNGE-OAHLLOKOSA-N 1 1 300.402 3.673 20 30 DHEDMO C=CC[N@@H+](Cc1coc(-c2ccc(C)cc2)n1)[C@H](C)COC ZINC000661246564 1023541588 /nfs/dbraw/zinc/54/15/88/1023541588.db2.gz IKOIWJWSLXRNGE-OAHLLOKOSA-N 1 1 300.402 3.673 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000661380566 1023582004 /nfs/dbraw/zinc/58/20/04/1023582004.db2.gz OFGSUVLIJXADPT-GDBMZVCRSA-N 1 1 314.429 3.504 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000661380566 1023582011 /nfs/dbraw/zinc/58/20/11/1023582011.db2.gz OFGSUVLIJXADPT-GDBMZVCRSA-N 1 1 314.429 3.504 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000661379091 1023583478 /nfs/dbraw/zinc/58/34/78/1023583478.db2.gz SPXYLQGLNNCBSP-ZDUSSCGKSA-N 1 1 322.836 3.575 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000661379806 1023585041 /nfs/dbraw/zinc/58/50/41/1023585041.db2.gz IPCMNTLPKPAQSJ-GOEBONIOSA-N 1 1 314.429 3.504 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000661379806 1023585042 /nfs/dbraw/zinc/58/50/42/1023585042.db2.gz IPCMNTLPKPAQSJ-GOEBONIOSA-N 1 1 314.429 3.504 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000661384723 1023587194 /nfs/dbraw/zinc/58/71/94/1023587194.db2.gz KPXNEDXSGKRWFK-INIZCTEOSA-N 1 1 306.494 3.559 20 30 DHEDMO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000785764547 1023617046 /nfs/dbraw/zinc/61/70/46/1023617046.db2.gz UIEZTJVTVCIUNQ-HZPDHXFCSA-N 1 1 310.482 3.968 20 30 DHEDMO C=CCC[C@@H](C)OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000786477607 1023695758 /nfs/dbraw/zinc/69/57/58/1023695758.db2.gz OTRGIJVHFVHUTP-LLVKDONJSA-N 1 1 321.327 3.716 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1OC)C(C)(C)C ZINC000661754699 1023729146 /nfs/dbraw/zinc/72/91/46/1023729146.db2.gz AYXPKMOWGFYSKT-UHFFFAOYSA-N 1 1 310.825 3.574 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000787309655 1023785419 /nfs/dbraw/zinc/78/54/19/1023785419.db2.gz KZBBYDVAGBLBBC-OAHLLOKOSA-N 1 1 317.433 3.969 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)cc1 ZINC000787420318 1023790654 /nfs/dbraw/zinc/79/06/54/1023790654.db2.gz GSWRAAXKXDWJON-HNNXBMFYSA-N 1 1 311.347 3.861 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)cc1 ZINC000787770777 1023819801 /nfs/dbraw/zinc/81/98/01/1023819801.db2.gz HXQDAKPHKZSLFA-FQEVSTJZSA-N 1 1 303.405 3.905 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1ccccc1C(C)C ZINC000662080812 1023889874 /nfs/dbraw/zinc/88/98/74/1023889874.db2.gz MQZXGCGUOSUBMQ-KSZLIROESA-N 1 1 315.457 3.733 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000662082642 1023895723 /nfs/dbraw/zinc/89/57/23/1023895723.db2.gz WQZHICBSESLNTO-XYPHTWIQSA-N 1 1 318.848 3.700 20 30 DHEDMO C=CCC1(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CCCCC1 ZINC000452119853 1023973371 /nfs/dbraw/zinc/97/33/71/1023973371.db2.gz HTEIFLCDNFBNPB-KZNAEPCWSA-N 1 1 318.505 3.702 20 30 DHEDMO C=CC[N@H+](CCC1OCCCO1)Cc1ccc(Cl)s1 ZINC000267060919 1024050158 /nfs/dbraw/zinc/05/01/58/1024050158.db2.gz MGHRNJVUAWEKRJ-UHFFFAOYSA-N 1 1 301.839 3.543 20 30 DHEDMO C#CCCCCCC[NH2+][C@H](c1nccn1C)c1ccccc1F ZINC000876921480 1033184141 /nfs/dbraw/zinc/18/41/41/1033184141.db2.gz PXWHBQRAVFWXKQ-SFHVURJKSA-N 1 1 313.420 3.822 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000267995522 1024061611 /nfs/dbraw/zinc/06/16/11/1024061611.db2.gz BNNOFOPVWICGHV-KRWDZBQOSA-N 1 1 310.372 3.718 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000268586104 1024130310 /nfs/dbraw/zinc/13/03/10/1024130310.db2.gz DQWJWOSAOFYKTM-MOPGFXCFSA-N 1 1 310.372 3.568 20 30 DHEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268572286 1024131066 /nfs/dbraw/zinc/13/10/66/1024131066.db2.gz AYQIKPKFTUTRJX-VQTJNVASSA-N 1 1 306.409 3.737 20 30 DHEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268637199 1024135100 /nfs/dbraw/zinc/13/51/00/1024135100.db2.gz RKRHTBMVIFXOMM-XIKOKIGWSA-N 1 1 316.351 3.563 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)[C@H]2CC[C@@](C)(c3ccccc3)C2)n1 ZINC000789759217 1024159375 /nfs/dbraw/zinc/15/93/75/1024159375.db2.gz QGXQQLSNNZWPNU-LEWJYISDSA-N 1 1 321.468 3.849 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000130455299 1024167714 /nfs/dbraw/zinc/16/77/14/1024167714.db2.gz IZHXSNNDNGABNZ-ZDUSSCGKSA-N 1 1 316.351 3.888 20 30 DHEDMO CC[N@H+](CC(=O)c1cc(C)n(C)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000531493325 1024177432 /nfs/dbraw/zinc/17/74/32/1024177432.db2.gz HHXMFGCSGCBMGU-HNNXBMFYSA-N 1 1 323.440 3.779 20 30 DHEDMO CC[N@@H+](CC(=O)c1cc(C)n(C)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000531493325 1024177437 /nfs/dbraw/zinc/17/74/37/1024177437.db2.gz HHXMFGCSGCBMGU-HNNXBMFYSA-N 1 1 323.440 3.779 20 30 DHEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000248998816 1024184915 /nfs/dbraw/zinc/18/49/15/1024184915.db2.gz PWUHLOHADFHIEJ-VQIMIIECSA-N 1 1 316.445 3.759 20 30 DHEDMO C=CC(C)(C)CNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000452778743 1024193781 /nfs/dbraw/zinc/19/37/81/1024193781.db2.gz YTZZDYHKNZKNQO-UHFFFAOYSA-N 1 1 302.462 3.859 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000268975224 1024210719 /nfs/dbraw/zinc/21/07/19/1024210719.db2.gz NGMSEMIOOYJWBU-SFHVURJKSA-N 1 1 311.473 3.548 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000268975224 1024210733 /nfs/dbraw/zinc/21/07/33/1024210733.db2.gz NGMSEMIOOYJWBU-SFHVURJKSA-N 1 1 311.473 3.548 20 30 DHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000531580121 1024229584 /nfs/dbraw/zinc/22/95/84/1024229584.db2.gz BTOSQDMCHOZWNP-SFHVURJKSA-N 1 1 324.399 3.913 20 30 DHEDMO C[C@H](CCCC#N)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001172481900 1033195660 /nfs/dbraw/zinc/19/56/60/1033195660.db2.gz ZDDCGTDNLCZVGW-RSPOEFSDSA-N 1 1 311.473 3.854 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)c(F)c1 ZINC000269396637 1024273742 /nfs/dbraw/zinc/27/37/42/1024273742.db2.gz FCKIYLAORMNHRS-MOPGFXCFSA-N 1 1 310.372 3.707 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCSCC[C@H]2C)c1O ZINC000790476836 1024308798 /nfs/dbraw/zinc/30/87/98/1024308798.db2.gz HFOHIWYSMVWMIH-CQSZACIVSA-N 1 1 321.486 3.847 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNc3cnccc3C#N)cc2)C1 ZINC000094136034 1024313246 /nfs/dbraw/zinc/31/32/46/1024313246.db2.gz UUIYEPLHHHRFRX-INIZCTEOSA-N 1 1 320.440 3.797 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NC2(CO)CCCC2)cc1 ZINC001167807131 1024329627 /nfs/dbraw/zinc/32/96/27/1024329627.db2.gz VAHWJGPSVGJXML-SFHVURJKSA-N 1 1 300.446 3.727 20 30 DHEDMO COc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)cc1C#N ZINC000883383286 1024417286 /nfs/dbraw/zinc/41/72/86/1024417286.db2.gz WLZWICXOBPXLFX-HKUYNNGSSA-N 1 1 310.372 3.682 20 30 DHEDMO C=CCCc1noc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1 ZINC000453248418 1024425928 /nfs/dbraw/zinc/42/59/28/1024425928.db2.gz RAHSAUQLYSUMIJ-OAHLLOKOSA-N 1 1 315.392 3.707 20 30 DHEDMO CC[N@H+](Cc1ccc(C#N)s1)Cc1ccc(OC)cc1OC ZINC000271094161 1024455137 /nfs/dbraw/zinc/45/51/37/1024455137.db2.gz MAMFMFHHTJIMMF-UHFFFAOYSA-N 1 1 316.426 3.659 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(OC)cc1OC ZINC000271094161 1024455143 /nfs/dbraw/zinc/45/51/43/1024455143.db2.gz MAMFMFHHTJIMMF-UHFFFAOYSA-N 1 1 316.426 3.659 20 30 DHEDMO C[N@@H+](CCCCCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000278925747 1024508704 /nfs/dbraw/zinc/50/87/04/1024508704.db2.gz SCHCJLGLUXOFJU-UHFFFAOYSA-N 1 1 308.425 3.820 20 30 DHEDMO C[N@@H+](Cc1ccc(Br)c(F)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339126670 1024570718 /nfs/dbraw/zinc/57/07/18/1024570718.db2.gz SVVGVJHLGDYZQQ-ZYHUDNBSSA-N 1 1 311.198 3.712 20 30 DHEDMO COc1ccc(Br)c(C[N@H+](C)[C@@H]2CC[C@H](C#N)C2)c1 ZINC000339123922 1024571212 /nfs/dbraw/zinc/57/12/12/1024571212.db2.gz GXVSZLBEXYVNNL-WCQYABFASA-N 1 1 323.234 3.582 20 30 DHEDMO COc1ccc(Br)c(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)c1 ZINC000339123922 1024571218 /nfs/dbraw/zinc/57/12/18/1024571218.db2.gz GXVSZLBEXYVNNL-WCQYABFASA-N 1 1 323.234 3.582 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ncc(C#N)cc2Cl)C1 ZINC000339134186 1024573997 /nfs/dbraw/zinc/57/39/97/1024573997.db2.gz IJQDSOAQKHXOCX-OKILXGFUSA-N 1 1 320.868 3.777 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)C(C)(C)c1ccccc1 ZINC000585754569 1024596649 /nfs/dbraw/zinc/59/66/49/1024596649.db2.gz RCUFFTHSIAAYGZ-UHFFFAOYSA-N 1 1 321.424 3.754 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001172497176 1033224807 /nfs/dbraw/zinc/22/48/07/1033224807.db2.gz ZGMHUESGAFMEKN-QXCFHYIPSA-N 1 1 320.477 3.507 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001172494770 1033225345 /nfs/dbraw/zinc/22/53/45/1033225345.db2.gz XXQVOWZEWKEORU-CVEARBPZSA-N 1 1 323.481 3.648 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H]1C ZINC001172492354 1033225730 /nfs/dbraw/zinc/22/57/30/1033225730.db2.gz KIBXAVDDUYCGBR-OWCLPIDISA-N 1 1 323.481 3.694 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1OC ZINC000348895768 1024642872 /nfs/dbraw/zinc/64/28/72/1024642872.db2.gz RXPGVOKCYADCFF-GOSISDBHSA-N 1 1 324.424 3.992 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001172495037 1033226097 /nfs/dbraw/zinc/22/60/97/1033226097.db2.gz AZYIKFRJKMDJLN-MAUKXSAKSA-N 1 1 321.465 3.544 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCc2ncnc(-c3ccccc3)c2CC1 ZINC001172498333 1033227690 /nfs/dbraw/zinc/22/76/90/1033227690.db2.gz KPIRLIYVCURDLQ-MRXNPFEDSA-N 1 1 320.440 3.627 20 30 DHEDMO C[C@@H](CCCC#N)[NH2+]C[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001172490538 1033223771 /nfs/dbraw/zinc/22/37/71/1033223771.db2.gz HNEHSZMWNYXNKR-HBFSDRIKSA-N 1 1 313.489 3.817 20 30 DHEDMO CC[N@@H+]([C@@H](C)CCCC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001172499223 1033228906 /nfs/dbraw/zinc/22/89/06/1033228906.db2.gz VRALEMGKRRSYRO-JKSUJKDBSA-N 1 1 323.481 3.790 20 30 DHEDMO C[C@@H](CCCC#N)[NH+]1CC(Oc2ccccc2C(F)(F)F)C1 ZINC001172503344 1033229682 /nfs/dbraw/zinc/22/96/82/1033229682.db2.gz AETNJHFXCOSHFD-LBPRGKRZSA-N 1 1 312.335 3.851 20 30 DHEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)C12CCC2 ZINC001170325424 1024743501 /nfs/dbraw/zinc/74/35/01/1024743501.db2.gz ZZQVJWUJLGUAMM-HOTGVXAUSA-N 1 1 304.821 3.601 20 30 DHEDMO CC[N@@H+](CCOC)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000349860450 1024764197 /nfs/dbraw/zinc/76/41/97/1024764197.db2.gz GOVOZASLGSEZRG-UHFFFAOYSA-N 1 1 324.424 3.606 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@H]3CCCO[C@@H]3C2)CC1 ZINC001170382876 1024767601 /nfs/dbraw/zinc/76/76/01/1024767601.db2.gz GDBFJBDPWPXHSV-RCKXYERXSA-N 1 1 324.468 3.891 20 30 DHEDMO COc1ccccc1S[C@@H]1CC[N@H+]([C@@H](C)CCCC#N)C1 ZINC001172508677 1033237814 /nfs/dbraw/zinc/23/78/14/1033237814.db2.gz FTHAPFDOFZKYAU-LSDHHAIUSA-N 1 1 304.459 3.944 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000349944785 1024772763 /nfs/dbraw/zinc/77/27/63/1024772763.db2.gz MLEDXUOVLABCIU-HNNXBMFYSA-N 1 1 316.408 3.932 20 30 DHEDMO Cc1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1F ZINC000571328637 1024788760 /nfs/dbraw/zinc/78/87/60/1024788760.db2.gz PAWKAOVTHKFVRG-UHFFFAOYSA-N 1 1 312.388 3.654 20 30 DHEDMO CCc1ccc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000026223593 1024794844 /nfs/dbraw/zinc/79/48/44/1024794844.db2.gz ZUSMHSQKBJIUHF-UHFFFAOYSA-N 1 1 321.424 3.581 20 30 DHEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001172505427 1033234547 /nfs/dbraw/zinc/23/45/47/1033234547.db2.gz NDQGYKNUBNLATA-RBUKOAKNSA-N 1 1 310.526 3.922 20 30 DHEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001172505501 1033234612 /nfs/dbraw/zinc/23/46/12/1033234612.db2.gz OEVHIHLYDQCHJI-JKSUJKDBSA-N 1 1 303.512 3.635 20 30 DHEDMO C[C@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C(C)(C)C1 ZINC000350181887 1024799079 /nfs/dbraw/zinc/79/90/79/1024799079.db2.gz UBFOPPJUSQFFEM-OAHLLOKOSA-N 1 1 323.440 3.858 20 30 DHEDMO COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@@H](C)CCCC#N)c1 ZINC001172505361 1033235590 /nfs/dbraw/zinc/23/55/90/1033235590.db2.gz LXFQUNVNXIVPOW-YOEHRIQHSA-N 1 1 300.402 3.692 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+](C)[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001172503916 1033235702 /nfs/dbraw/zinc/23/57/02/1033235702.db2.gz CNZJLFJAEGFGQB-NLWGTHIKSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@@]12CC[N@@H+](Cc3ccc(CC#N)cc3)C[C@@H]1C2(Cl)Cl ZINC000792895995 1024826267 /nfs/dbraw/zinc/82/62/67/1024826267.db2.gz BZWXSIPPYCVPRW-LSDHHAIUSA-N 1 1 309.240 3.768 20 30 DHEDMO C[C@@]12CC[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]1C2(Cl)Cl ZINC000792902616 1024829878 /nfs/dbraw/zinc/82/98/78/1024829878.db2.gz INXBGTCGKSNHAO-LSDHHAIUSA-N 1 1 312.215 3.693 20 30 DHEDMO C[C@@]12CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]1C2(Cl)Cl ZINC000792902616 1024829900 /nfs/dbraw/zinc/82/99/00/1024829900.db2.gz INXBGTCGKSNHAO-LSDHHAIUSA-N 1 1 312.215 3.693 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000117354034 1024893814 /nfs/dbraw/zinc/89/38/14/1024893814.db2.gz HWJSGPFJVAZEJB-UHFFFAOYSA-N 1 1 322.252 3.875 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000117354034 1024893855 /nfs/dbraw/zinc/89/38/55/1024893855.db2.gz HWJSGPFJVAZEJB-UHFFFAOYSA-N 1 1 322.252 3.875 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@@H+]2C[C@H](C)CCC=C(C)C)C1=O ZINC001275067536 1024900276 /nfs/dbraw/zinc/90/02/76/1024900276.db2.gz YETPUUBDTGBLSQ-IEBWSBKVSA-N 1 1 304.478 3.622 20 30 DHEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](C)CCC=C(C)C ZINC001275067172 1024900933 /nfs/dbraw/zinc/90/09/33/1024900933.db2.gz PVWWIWKQHAHKST-RCCFBDPRSA-N 1 1 304.478 3.620 20 30 DHEDMO CC(=NN[C@@H](C)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793115297 1024904191 /nfs/dbraw/zinc/90/41/91/1024904191.db2.gz LZBWLIRAKZEVSG-FUHWJXTLSA-N 1 1 301.478 3.909 20 30 DHEDMO C=C(C)CN1c2ccccc2[C@@]2(CC[N@H+](CCC(C)C)C2)C1=O ZINC001275094506 1024912671 /nfs/dbraw/zinc/91/26/71/1024912671.db2.gz ZDAQZZYVTAETDO-FQEVSTJZSA-N 1 1 312.457 3.599 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@@]2(CCN(CC(F)F)C2=O)C1 ZINC001275115127 1024920435 /nfs/dbraw/zinc/92/04/35/1024920435.db2.gz TZHSROULKFTZIY-QGZVFWFLSA-N 1 1 316.436 3.536 20 30 DHEDMO CC(C)(C)OC(=O)Nc1cc(NCC#Cc2ccccc2)cc[nH+]1 ZINC001170427176 1024925112 /nfs/dbraw/zinc/92/51/12/1024925112.db2.gz FXTPYOZSJDJLBX-UHFFFAOYSA-N 1 1 323.396 3.892 20 30 DHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CC(C)(C)C#N)cc1 ZINC000353162081 1024971793 /nfs/dbraw/zinc/97/17/93/1024971793.db2.gz HRXLURWUEZIEEG-UHFFFAOYSA-N 1 1 315.461 3.540 20 30 DHEDMO C[N@@H+](CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21)Cc1ccccc1 ZINC000353391301 1025049176 /nfs/dbraw/zinc/04/91/76/1025049176.db2.gz WMJVLDUVZZVJSB-OAQYLSRUSA-N 1 1 319.452 3.657 20 30 DHEDMO CN(CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21)Cc1ccccc1 ZINC000353391301 1025049187 /nfs/dbraw/zinc/04/91/87/1025049187.db2.gz WMJVLDUVZZVJSB-OAQYLSRUSA-N 1 1 319.452 3.657 20 30 DHEDMO C[N@H+](CCCN[C@@H]1CCc2ccc(C#N)cc21)Cc1ccccc1 ZINC000353391301 1025049196 /nfs/dbraw/zinc/04/91/96/1025049196.db2.gz WMJVLDUVZZVJSB-OAQYLSRUSA-N 1 1 319.452 3.657 20 30 DHEDMO C[N@@H+](CCCN[C@@H]1CCc2ccc(C#N)cc21)Cc1ccccc1 ZINC000353391301 1025049208 /nfs/dbraw/zinc/04/92/08/1025049208.db2.gz WMJVLDUVZZVJSB-OAQYLSRUSA-N 1 1 319.452 3.657 20 30 DHEDMO C=CC[N@H+](CCCc1ccc(C)nc1)Cc1cccc(C#N)c1 ZINC000353441162 1025070708 /nfs/dbraw/zinc/07/07/08/1025070708.db2.gz RVPAVCFBBAAVMS-UHFFFAOYSA-N 1 1 305.425 3.883 20 30 DHEDMO C=CCCCCC[C@@H](C)[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000793532109 1025110761 /nfs/dbraw/zinc/11/07/61/1025110761.db2.gz FMVLMPISWOXYFU-QZTJIDSGSA-N 1 1 308.510 3.602 20 30 DHEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000191481567 1025110755 /nfs/dbraw/zinc/11/07/55/1025110755.db2.gz GWZJWRRZNXNRPC-HXUWFJFHSA-N 1 1 308.425 3.556 20 30 DHEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)o2)C12CCCCC2 ZINC000353668689 1025191442 /nfs/dbraw/zinc/19/14/42/1025191442.db2.gz ZHYKQBUCOYWHOR-IRXDYDNUSA-N 1 1 302.418 3.711 20 30 DHEDMO C[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000353681681 1025194907 /nfs/dbraw/zinc/19/49/07/1025194907.db2.gz WTGWCYHZGGACMH-KLHJMIIUSA-N 1 1 323.484 3.788 20 30 DHEDMO C[C@H](N[C@H]1CCc2ccc(C#N)cc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000353681681 1025194911 /nfs/dbraw/zinc/19/49/11/1025194911.db2.gz WTGWCYHZGGACMH-KLHJMIIUSA-N 1 1 323.484 3.788 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000353767872 1025243829 /nfs/dbraw/zinc/24/38/29/1025243829.db2.gz MQKDDIQMNXNNOC-JKSUJKDBSA-N 1 1 308.429 3.694 20 30 DHEDMO N#Cc1cc(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)ccc1F ZINC000859929984 1033269593 /nfs/dbraw/zinc/26/95/93/1033269593.db2.gz OESFAZCIFNVZJI-GBESFXJTSA-N 1 1 306.384 3.933 20 30 DHEDMO N#CC1(CCC[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CCOCC1 ZINC000859928458 1033270377 /nfs/dbraw/zinc/27/03/77/1033270377.db2.gz KESLWKVYMSPCRR-SLFFLAALSA-N 1 1 324.468 3.822 20 30 DHEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(C(F)(F)F)c1 ZINC000352854163 1025280510 /nfs/dbraw/zinc/28/05/10/1025280510.db2.gz QKIPNWXPBSDAJR-VIFPVBQESA-N 1 1 311.332 3.884 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001307731213 1025293433 /nfs/dbraw/zinc/29/34/33/1025293433.db2.gz BFSYWOKRJHYEFV-OAGGEKHMSA-N 1 1 308.466 3.530 20 30 DHEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1coc2ccccc12 ZINC001275288758 1025295859 /nfs/dbraw/zinc/29/58/59/1025295859.db2.gz QCWAUMJPYCCFRD-HXUWFJFHSA-N 1 1 324.424 3.576 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1ccc(OCc2ccccc2)cc1 ZINC001307736634 1025325861 /nfs/dbraw/zinc/32/58/61/1025325861.db2.gz OMEBICRGICIEGG-UHFFFAOYSA-N 1 1 311.425 3.900 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@H](c3ccccc3F)C2)ccc1C#N ZINC000354122120 1025361795 /nfs/dbraw/zinc/36/17/95/1025361795.db2.gz XUPHVJGODDLBLB-INIZCTEOSA-N 1 1 310.372 3.695 20 30 DHEDMO CC[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H](C)c1cccc(OC)c1 ZINC000885965350 1025421527 /nfs/dbraw/zinc/42/15/27/1025421527.db2.gz MWCHFQBGPNEQTD-DOTOQJQBSA-N 1 1 316.445 3.523 20 30 DHEDMO N#Cc1sc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)nc1Cl ZINC000804682654 1025430998 /nfs/dbraw/zinc/43/09/98/1025430998.db2.gz MCGWJJPNXFJWGZ-LBPRGKRZSA-N 1 1 324.881 3.877 20 30 DHEDMO C=CCCCCCC[N@@H+]1CC[C@]2(CCN([C@@H](C)CC)C2=O)C1 ZINC001275328764 1025438179 /nfs/dbraw/zinc/43/81/79/1025438179.db2.gz CEECKISGLQCCRD-HKUYNNGSSA-N 1 1 306.494 3.846 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccc(F)cc1 ZINC000825955937 1033282693 /nfs/dbraw/zinc/28/26/93/1033282693.db2.gz UODKAUJYYZSLHC-LJQANCHMSA-N 1 1 304.368 3.845 20 30 DHEDMO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCCCCCC=C ZINC001275329681 1025440772 /nfs/dbraw/zinc/44/07/72/1025440772.db2.gz DCQBPXYRLYETJY-HXUWFJFHSA-N 1 1 316.489 3.603 20 30 DHEDMO C=CCCCCCC[N@@H+]1CC[C@]2(CCN(CC(C)C)C2=O)C1 ZINC001275331369 1025445384 /nfs/dbraw/zinc/44/53/84/1025445384.db2.gz VFVHGRCCUOTIRC-IBGZPJMESA-N 1 1 306.494 3.703 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)NCc1cccs1 ZINC000354564724 1025456617 /nfs/dbraw/zinc/45/66/17/1025456617.db2.gz RUDUBEYKHUCBNY-ZDUSSCGKSA-N 1 1 320.483 3.503 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NCc1cccs1 ZINC000354564724 1025456627 /nfs/dbraw/zinc/45/66/27/1025456627.db2.gz RUDUBEYKHUCBNY-ZDUSSCGKSA-N 1 1 320.483 3.503 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCCO[C@H](C(C)C)C2)cc1OC ZINC000354788496 1025505102 /nfs/dbraw/zinc/50/51/02/1025505102.db2.gz HAMXAZPXPGZHPU-IBGZPJMESA-N 1 1 319.445 3.507 20 30 DHEDMO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886237281 1025567540 /nfs/dbraw/zinc/56/75/40/1025567540.db2.gz ZRJCTLFJEYERSI-SJLPKXTDSA-N 1 1 316.420 3.716 20 30 DHEDMO COc1cc(C)cc(C[N@H+](C)Cc2cccc(C#N)c2)c1OC ZINC000893931691 1025605431 /nfs/dbraw/zinc/60/54/31/1025605431.db2.gz RGZBKQJYIROPEY-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO COc1cc(C)cc(C[N@@H+](C)Cc2cccc(C#N)c2)c1OC ZINC000893931691 1025605442 /nfs/dbraw/zinc/60/54/42/1025605442.db2.gz RGZBKQJYIROPEY-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)NC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000066872079 1025632103 /nfs/dbraw/zinc/63/21/03/1025632103.db2.gz SDGADCZWOOTEPQ-OAHLLOKOSA-N 1 1 321.424 3.501 20 30 DHEDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000805750187 1025658097 /nfs/dbraw/zinc/65/80/97/1025658097.db2.gz XVBFFOCOADQIIN-HNAYVOBHSA-N 1 1 307.397 3.567 20 30 DHEDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cccc(C#N)c1 ZINC000048812244 1025678023 /nfs/dbraw/zinc/67/80/23/1025678023.db2.gz CGGUVGALKLBZLC-UHFFFAOYSA-N 1 1 302.324 3.792 20 30 DHEDMO CC[C@H]1C[N@@H+](CC(C)(C)CCC#N)CCN1Cc1ccccc1 ZINC000355369486 1025696599 /nfs/dbraw/zinc/69/65/99/1025696599.db2.gz RDFLWRURPZTQPG-IBGZPJMESA-N 1 1 313.489 3.913 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c(F)c1 ZINC000886610820 1025736909 /nfs/dbraw/zinc/73/69/09/1025736909.db2.gz KSYDCQQNIAFPAW-ZFWWWQNUSA-N 1 1 312.310 3.862 20 30 DHEDMO CSc1ccc(C[NH2+][C@@H](C)c2ccc(F)cn2)cc1C#N ZINC000886687844 1025786129 /nfs/dbraw/zinc/78/61/29/1025786129.db2.gz GEMSETGOBNUPTM-NSHDSACASA-N 1 1 301.390 3.665 20 30 DHEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614169071 1025793115 /nfs/dbraw/zinc/79/31/15/1025793115.db2.gz QNPVNOJMLYXGKG-VQIMIIECSA-N 1 1 313.489 3.792 20 30 DHEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614169071 1025793130 /nfs/dbraw/zinc/79/31/30/1025793130.db2.gz QNPVNOJMLYXGKG-VQIMIIECSA-N 1 1 313.489 3.792 20 30 DHEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614169071 1025793139 /nfs/dbraw/zinc/79/31/39/1025793139.db2.gz QNPVNOJMLYXGKG-VQIMIIECSA-N 1 1 313.489 3.792 20 30 DHEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614169071 1025793145 /nfs/dbraw/zinc/79/31/45/1025793145.db2.gz QNPVNOJMLYXGKG-VQIMIIECSA-N 1 1 313.489 3.792 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1n1ccnc1 ZINC000614176140 1025807504 /nfs/dbraw/zinc/80/75/04/1025807504.db2.gz JJSHNLAPXSWCFH-VQIMIIECSA-N 1 1 322.456 3.767 20 30 DHEDMO Cc1cc(NCc2ccc(C#N)o2)c[nH+]c1N1CCCC[C@@H]1C ZINC000355742288 1025829116 /nfs/dbraw/zinc/82/91/16/1025829116.db2.gz SSCSAXAJUAUNCQ-AWEZNQCLSA-N 1 1 310.401 3.846 20 30 DHEDMO C[N@@H+](CCCSCC#N)Cc1csc(Br)c1 ZINC000074989110 1025829110 /nfs/dbraw/zinc/82/91/10/1025829110.db2.gz FRJWJKMXOVATOX-UHFFFAOYSA-N 1 1 319.293 3.589 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2csc(CCC(C)C)n2)CC1 ZINC000886764282 1025883976 /nfs/dbraw/zinc/88/39/76/1025883976.db2.gz PILGVYCACGRDEY-UHFFFAOYSA-N 1 1 308.491 3.635 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000076801711 1025884756 /nfs/dbraw/zinc/88/47/56/1025884756.db2.gz PGVJJALABXQOEZ-LBPRGKRZSA-N 1 1 314.351 3.930 20 30 DHEDMO CC(C)(C)C[N@H+](CCC#N)CCc1nc(-c2ccccc2)no1 ZINC000077285766 1025895372 /nfs/dbraw/zinc/89/53/72/1025895372.db2.gz IFVFXKXUKKVSLZ-UHFFFAOYSA-N 1 1 312.417 3.541 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)CCc1nc(-c2ccccc2)no1 ZINC000077285766 1025895391 /nfs/dbraw/zinc/89/53/91/1025895391.db2.gz IFVFXKXUKKVSLZ-UHFFFAOYSA-N 1 1 312.417 3.541 20 30 DHEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c(C(F)(F)F)c1 ZINC000356087348 1025942340 /nfs/dbraw/zinc/94/23/40/1025942340.db2.gz NRPMWDRYXMCNHT-ZDUSSCGKSA-N 1 1 324.346 3.578 20 30 DHEDMO N#CC1(CC[N@H+](CCCO)Cc2ccccc2)CCCCC1 ZINC000411329235 1025952231 /nfs/dbraw/zinc/95/22/31/1025952231.db2.gz QXAVRIUISAOPQH-UHFFFAOYSA-N 1 1 300.446 3.735 20 30 DHEDMO C[C@H]1SCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C ZINC000356132718 1025962042 /nfs/dbraw/zinc/96/20/42/1025962042.db2.gz VYFDHEPGNRACRP-WDEREUQCSA-N 1 1 314.376 3.903 20 30 DHEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C ZINC000356132718 1025962054 /nfs/dbraw/zinc/96/20/54/1025962054.db2.gz VYFDHEPGNRACRP-WDEREUQCSA-N 1 1 314.376 3.903 20 30 DHEDMO C#CCCOc1ccc(C[NH2+][C@H](CCN(C)C)C(C)(C)C)cc1 ZINC000236984607 1025981909 /nfs/dbraw/zinc/98/19/09/1025981909.db2.gz WUGYSMSMKHHHEF-LJQANCHMSA-N 1 1 316.489 3.545 20 30 DHEDMO C[C@@H](c1ccco1)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000086234968 1026018015 /nfs/dbraw/zinc/01/80/15/1026018015.db2.gz LXGPURWJHQWKJG-AWEZNQCLSA-N 1 1 323.396 3.705 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCC=C(c3ccccn3)C2)c1 ZINC001170518612 1026029656 /nfs/dbraw/zinc/02/96/56/1026029656.db2.gz GRBBLOVKOUWKHE-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC=C(c3ccccn3)C2)c1 ZINC001170518612 1026029668 /nfs/dbraw/zinc/02/96/68/1026029668.db2.gz GRBBLOVKOUWKHE-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO C#CCOc1ccc([C@H](C)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000089513118 1026052793 /nfs/dbraw/zinc/05/27/93/1026052793.db2.gz MVZXBYDFJWDCOX-INIZCTEOSA-N 1 1 314.473 3.612 20 30 DHEDMO C=CC(C)(C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC001131027443 1026105092 /nfs/dbraw/zinc/10/50/92/1026105092.db2.gz LJYFXGBPXSDZNA-GOSISDBHSA-N 1 1 314.473 3.568 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(NC(C)=O)cc1)Cc1ccc(OC)cc1 ZINC000092217506 1026107764 /nfs/dbraw/zinc/10/77/64/1026107764.db2.gz NKKWKFVPEQUDQE-UHFFFAOYSA-N 1 1 324.424 3.842 20 30 DHEDMO Clc1ccncc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001137239326 1026131485 /nfs/dbraw/zinc/13/14/85/1026131485.db2.gz QSZHICIKEGLOPM-UHFFFAOYSA-N 1 1 310.828 3.999 20 30 DHEDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000412063930 1026136012 /nfs/dbraw/zinc/13/60/12/1026136012.db2.gz JQCOQFFLMIZEMW-XHSDSOJGSA-N 1 1 306.450 3.513 20 30 DHEDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000532957854 1026157598 /nfs/dbraw/zinc/15/75/98/1026157598.db2.gz KHDPTGXVKDGQIO-IERDGZPVSA-N 1 1 320.436 3.961 20 30 DHEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC1CCCCC1 ZINC001275500916 1026163064 /nfs/dbraw/zinc/16/30/64/1026163064.db2.gz VDUGENIWKHLRRW-QZTJIDSGSA-N 1 1 304.478 3.598 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C)C2)cc1OCCCC#N ZINC000245758919 1026200797 /nfs/dbraw/zinc/20/07/97/1026200797.db2.gz PFNUKLQSJRXHOW-JKSUJKDBSA-N 1 1 316.445 3.856 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)cc1C#N ZINC000533079809 1026210529 /nfs/dbraw/zinc/21/05/29/1026210529.db2.gz PVDLRUFWOINDJE-HNAYVOBHSA-N 1 1 306.409 3.945 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)s1 ZINC000120542990 1026230925 /nfs/dbraw/zinc/23/09/25/1026230925.db2.gz SKMVHLXWDRDKDD-ZDUSSCGKSA-N 1 1 318.467 3.862 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)s1 ZINC000120542990 1026230938 /nfs/dbraw/zinc/23/09/38/1026230938.db2.gz SKMVHLXWDRDKDD-ZDUSSCGKSA-N 1 1 318.467 3.862 20 30 DHEDMO Cc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397842557 1026276403 /nfs/dbraw/zinc/27/64/03/1026276403.db2.gz YOSXTNSZBQBTEH-ZDUSSCGKSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1ccc(Br)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397842557 1026276415 /nfs/dbraw/zinc/27/64/15/1026276415.db2.gz YOSXTNSZBQBTEH-ZDUSSCGKSA-N 1 1 307.235 3.883 20 30 DHEDMO C[C@H]1[C@@H](C)[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C ZINC000419391700 1026350255 /nfs/dbraw/zinc/35/02/55/1026350255.db2.gz KCDXQGBJABBCHQ-BZUAXINKSA-N 1 1 323.440 3.714 20 30 DHEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1cccc(Cl)c1 ZINC000729266674 1026404979 /nfs/dbraw/zinc/40/49/79/1026404979.db2.gz BWNLXBPIYGQERA-UHFFFAOYSA-N 1 1 300.789 3.874 20 30 DHEDMO C[C@@H](c1ccsc1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000614461694 1026437667 /nfs/dbraw/zinc/43/76/67/1026437667.db2.gz GGVQOBGIXNDNFN-YJBOKZPZSA-N 1 1 311.454 3.692 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)cc1 ZINC000809581957 1026557444 /nfs/dbraw/zinc/55/74/44/1026557444.db2.gz QXIIOIMJEIAUMO-FQEVSTJZSA-N 1 1 309.384 3.689 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)c(C)c3)C2)cc1 ZINC000809581957 1026557451 /nfs/dbraw/zinc/55/74/51/1026557451.db2.gz QXIIOIMJEIAUMO-FQEVSTJZSA-N 1 1 309.384 3.689 20 30 DHEDMO C#Cc1ccc(C[NH2+]CC(C)(C)N[C@H](C)c2ccccc2)cc1 ZINC000809618496 1026565767 /nfs/dbraw/zinc/56/57/67/1026565767.db2.gz KTXXPQIWMJQGEC-QGZVFWFLSA-N 1 1 306.453 3.887 20 30 DHEDMO C#Cc1ccc(C[N@H+](CCCO)Cc2cccc(Cl)c2)cc1 ZINC000809594949 1026570522 /nfs/dbraw/zinc/57/05/22/1026570522.db2.gz DDFISFDBBFNQOQ-UHFFFAOYSA-N 1 1 313.828 3.706 20 30 DHEDMO C#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1 ZINC000809699950 1026589084 /nfs/dbraw/zinc/58/90/84/1026589084.db2.gz UXVUSYQYVWNGTC-BHIFYINESA-N 1 1 317.432 3.672 20 30 DHEDMO C#C[C@H](CC)[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000809686614 1026592596 /nfs/dbraw/zinc/59/25/96/1026592596.db2.gz FRTIEHYRYYMRNV-SNVBAGLBSA-N 1 1 309.232 3.560 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000809729697 1026595346 /nfs/dbraw/zinc/59/53/46/1026595346.db2.gz XEAJJVHPZCFWFC-FQEVSTJZSA-N 1 1 306.409 3.821 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1Cl ZINC001170594192 1026652328 /nfs/dbraw/zinc/65/23/28/1026652328.db2.gz RHBVMYLZDOQGGF-NSHDSACASA-N 1 1 315.760 3.971 20 30 DHEDMO Cc1ncccc1OC[C@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000419399404 1026705276 /nfs/dbraw/zinc/70/52/76/1026705276.db2.gz JPOINSKHUSHPEL-MRXNPFEDSA-N 1 1 301.434 3.563 20 30 DHEDMO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000183193665 1026705677 /nfs/dbraw/zinc/70/56/77/1026705677.db2.gz PFYIDFYOESMIAI-JTDSTZFVSA-N 1 1 311.473 3.862 20 30 DHEDMO C[C@@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000183193665 1026705689 /nfs/dbraw/zinc/70/56/89/1026705689.db2.gz PFYIDFYOESMIAI-JTDSTZFVSA-N 1 1 311.473 3.862 20 30 DHEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000810247092 1026730154 /nfs/dbraw/zinc/73/01/54/1026730154.db2.gz RMSKKUONTYDUFW-IIDMSEBBSA-N 1 1 310.482 3.824 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c(F)c1 ZINC000420945416 1026886787 /nfs/dbraw/zinc/88/67/87/1026886787.db2.gz KRDUPTDLCPYWHU-GFCCVEGCSA-N 1 1 300.299 3.862 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)c(F)c1 ZINC000420945416 1026886800 /nfs/dbraw/zinc/88/68/00/1026886800.db2.gz KRDUPTDLCPYWHU-GFCCVEGCSA-N 1 1 300.299 3.862 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420956418 1026893806 /nfs/dbraw/zinc/89/38/06/1026893806.db2.gz YEEZTAABHOXVEE-ZDUSSCGKSA-N 1 1 312.335 3.601 20 30 DHEDMO CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)c1ccsc1 ZINC000421007417 1026911683 /nfs/dbraw/zinc/91/16/83/1026911683.db2.gz LICNKYCYAJTKEY-RHSMWYFYSA-N 1 1 321.490 3.574 20 30 DHEDMO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)c1ccsc1 ZINC000421007419 1026912627 /nfs/dbraw/zinc/91/26/27/1026912627.db2.gz LICNKYCYAJTKEY-YOEHRIQHSA-N 1 1 321.490 3.574 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000414488625 1026913418 /nfs/dbraw/zinc/91/34/18/1026913418.db2.gz RJBMTSTZMQQPIG-ICSRJNTNSA-N 1 1 309.409 3.559 20 30 DHEDMO CC(C)(C)Oc1cccc(C[NH2+]Cc2ccc(C#N)c(F)c2)n1 ZINC000421344436 1026958239 /nfs/dbraw/zinc/95/82/39/1026958239.db2.gz TYLWVNMRPZRBDR-UHFFFAOYSA-N 1 1 313.376 3.559 20 30 DHEDMO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000421358270 1026961621 /nfs/dbraw/zinc/96/16/21/1026961621.db2.gz BDQNXLBGFIGMJC-IUODEOHRSA-N 1 1 320.458 3.562 20 30 DHEDMO CCOc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000016373052 1026961961 /nfs/dbraw/zinc/96/19/61/1026961961.db2.gz NNMKUAVYFPQVEO-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000811456479 1027005897 /nfs/dbraw/zinc/00/58/97/1027005897.db2.gz PCCIEXRKMQFROG-UHFFFAOYSA-N 1 1 323.318 3.814 20 30 DHEDMO Cc1noc(C)c1C[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000811456479 1027005903 /nfs/dbraw/zinc/00/59/03/1027005903.db2.gz PCCIEXRKMQFROG-UHFFFAOYSA-N 1 1 323.318 3.814 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(C(=O)OC)cc1)c1ccc(Cl)cc1 ZINC000811516659 1027018077 /nfs/dbraw/zinc/01/80/77/1027018077.db2.gz RGPSBKJXAUYIDQ-KRWDZBQOSA-N 1 1 313.784 3.591 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1 ZINC000811517500 1027018781 /nfs/dbraw/zinc/01/87/81/1027018781.db2.gz UNPMRZZKLPLLKW-IBGZPJMESA-N 1 1 321.811 3.990 20 30 DHEDMO C[C@@H]1C(N=Nc2ccc(Cl)nc2)CC[N@H+]1Cc1ccccc1 ZINC000811642628 1027047507 /nfs/dbraw/zinc/04/75/07/1027047507.db2.gz AFBPCJAUQXKIEU-CYBMUJFWSA-N 1 1 314.820 3.797 20 30 DHEDMO COCC[N@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CC=CCC1 ZINC000362244958 1027110830 /nfs/dbraw/zinc/11/08/30/1027110830.db2.gz OXEVICYCBBXDGV-HNNXBMFYSA-N 1 1 302.393 3.502 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCc2ccccc2C1 ZINC000571503728 1027131746 /nfs/dbraw/zinc/13/17/46/1027131746.db2.gz NSDMOBOZMKFSPF-HXUWFJFHSA-N 1 1 305.425 3.723 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000362300401 1027137018 /nfs/dbraw/zinc/13/70/18/1027137018.db2.gz UNSMUCFLTMWYTJ-HNNXBMFYSA-N 1 1 310.372 3.695 20 30 DHEDMO COc1ccc(C[N@@H+]2Cc3ccccc3OC(C)(C)C2)cc1C#N ZINC000571837743 1027150811 /nfs/dbraw/zinc/15/08/11/1027150811.db2.gz RYIZDILPKDDKOA-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO COc1ccc(C[N@H+]2Cc3ccccc3OC(C)(C)C2)cc1C#N ZINC000571837743 1027150821 /nfs/dbraw/zinc/15/08/21/1027150821.db2.gz RYIZDILPKDDKOA-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO C=CCSc1ccccc1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000362388360 1027178437 /nfs/dbraw/zinc/17/84/37/1027178437.db2.gz GDABIWDOSRISFZ-HNNXBMFYSA-N 1 1 318.486 3.569 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC001170662261 1027183056 /nfs/dbraw/zinc/18/30/56/1027183056.db2.gz YLXFMCUXAGPLOE-KRWDZBQOSA-N 1 1 322.880 3.568 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC000931611062 1027189474 /nfs/dbraw/zinc/18/94/74/1027189474.db2.gz OJJUOIKSBWUNSO-JMLCCBQJSA-N 1 1 302.393 3.609 20 30 DHEDMO Cc1csc([C@H]2CC[N@@H+](Cc3c(C)cc(C#N)cc3C)C2)n1 ZINC000931615670 1027190028 /nfs/dbraw/zinc/19/00/28/1027190028.db2.gz UMLGEBDMKAPHQV-INIZCTEOSA-N 1 1 311.454 3.930 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCO[C@H](C(F)(F)F)CC2)CCC1 ZINC000931620946 1027192630 /nfs/dbraw/zinc/19/26/30/1027192630.db2.gz SPKFTCIDVYEJJX-ZDUSSCGKSA-N 1 1 304.356 3.504 20 30 DHEDMO CC[N@@H+](CCCCC1(C#N)CCC1)[C@H](CO)c1ccccc1 ZINC000931701506 1027221126 /nfs/dbraw/zinc/22/11/26/1027221126.db2.gz UQZNIAVXVWCUPX-GOSISDBHSA-N 1 1 300.446 3.906 20 30 DHEDMO C=CCc1cc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)cc(OC)c1O ZINC000562206404 1027294328 /nfs/dbraw/zinc/29/43/28/1027294328.db2.gz XELNOEYGVDNVLW-GOSISDBHSA-N 1 1 301.430 3.750 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)CC1 ZINC000931908540 1027297125 /nfs/dbraw/zinc/29/71/25/1027297125.db2.gz AJJPLKPQZAJCOF-WXRRBKDZSA-N 1 1 304.331 3.683 20 30 DHEDMO N#Cc1ccccc1CSCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422987453 1027388313 /nfs/dbraw/zinc/38/83/13/1027388313.db2.gz IKIRWEYGKGWQQQ-RTBURBONSA-N 1 1 323.465 3.526 20 30 DHEDMO C=CC[N@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)C(C)C ZINC000747811252 1027389295 /nfs/dbraw/zinc/38/92/95/1027389295.db2.gz FVBSGEVNDTVSIZ-UHFFFAOYSA-N 1 1 313.420 3.897 20 30 DHEDMO C=CC[N@@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)C(C)C ZINC000747811252 1027389309 /nfs/dbraw/zinc/38/93/09/1027389309.db2.gz FVBSGEVNDTVSIZ-UHFFFAOYSA-N 1 1 313.420 3.897 20 30 DHEDMO CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@H](C)[C@H](O)c1ccccc1 ZINC000812849789 1027445722 /nfs/dbraw/zinc/44/57/22/1027445722.db2.gz JPHFFJRGEPYOOG-QRWLVFNGSA-N 1 1 324.424 3.511 20 30 DHEDMO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1C#N ZINC000362936016 1027453816 /nfs/dbraw/zinc/45/38/16/1027453816.db2.gz SIQMWCDSMOJGOU-UHFFFAOYSA-N 1 1 301.393 3.903 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+](Cc1nc2ccccc2s1)C1CC1 ZINC000932400673 1027483254 /nfs/dbraw/zinc/48/32/54/1027483254.db2.gz VCHMUBKQGVELNR-AWEZNQCLSA-N 1 1 302.443 3.588 20 30 DHEDMO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCS1 ZINC000575962109 1027536572 /nfs/dbraw/zinc/53/65/72/1027536572.db2.gz ZIPQJMYAFGNYQU-CYBMUJFWSA-N 1 1 314.376 3.904 20 30 DHEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCS1 ZINC000575962109 1027536582 /nfs/dbraw/zinc/53/65/82/1027536582.db2.gz ZIPQJMYAFGNYQU-CYBMUJFWSA-N 1 1 314.376 3.904 20 30 DHEDMO CCc1ccccc1[C@H]([NH3+])CN[C@@H](CC)c1ccc(C#N)cc1 ZINC000423498343 1027565265 /nfs/dbraw/zinc/56/52/65/1027565265.db2.gz IAOVDSTZADZNFW-UXHICEINSA-N 1 1 307.441 3.861 20 30 DHEDMO C[N@H+]1CC[C@H](CNc2ccc(F)cc2C#N)[C@@H]1c1cccs1 ZINC000363262599 1027576656 /nfs/dbraw/zinc/57/66/56/1027576656.db2.gz FXYUJGCPPKXSJV-SJKOYZFVSA-N 1 1 315.417 3.864 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000363306641 1027590593 /nfs/dbraw/zinc/59/05/93/1027590593.db2.gz JSZAIAKNFCACFU-SFHVURJKSA-N 1 1 308.429 3.618 20 30 DHEDMO N#Cc1c(Cl)nsc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000047405378 1027606969 /nfs/dbraw/zinc/60/69/69/1027606969.db2.gz UEYGJYACPOEJJI-LLVKDONJSA-N 1 1 322.821 3.510 20 30 DHEDMO CC1(C)C[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000932898246 1027644691 /nfs/dbraw/zinc/64/46/91/1027644691.db2.gz JRRRKJQFRQPNQM-QZTJIDSGSA-N 1 1 312.457 3.699 20 30 DHEDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC000933128086 1027683768 /nfs/dbraw/zinc/68/37/68/1027683768.db2.gz MRUSBMOCWVOIKQ-AWEZNQCLSA-N 1 1 315.417 3.527 20 30 DHEDMO CC(C)(C)[C@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000448356253 1027750830 /nfs/dbraw/zinc/75/08/30/1027750830.db2.gz RXDKLEGZURLUDN-GOSISDBHSA-N 1 1 316.445 3.616 20 30 DHEDMO CC(C)(C)[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000448356253 1027750848 /nfs/dbraw/zinc/75/08/48/1027750848.db2.gz RXDKLEGZURLUDN-GOSISDBHSA-N 1 1 316.445 3.616 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@H+](CCCc3ccsc3)CCO2)cc1 ZINC000933627612 1027779191 /nfs/dbraw/zinc/77/91/91/1027779191.db2.gz GYCRYUQMHASVQW-GOSISDBHSA-N 1 1 312.438 3.626 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@@H+](CCCc3ccsc3)CCO2)cc1 ZINC000933627612 1027779206 /nfs/dbraw/zinc/77/92/06/1027779206.db2.gz GYCRYUQMHASVQW-GOSISDBHSA-N 1 1 312.438 3.626 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933630052 1027780673 /nfs/dbraw/zinc/78/06/73/1027780673.db2.gz VOTUKQZFNCCCNE-MGPUTAFESA-N 1 1 317.392 3.564 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933630052 1027780690 /nfs/dbraw/zinc/78/06/90/1027780690.db2.gz VOTUKQZFNCCCNE-MGPUTAFESA-N 1 1 317.392 3.564 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@H+](CCCc3ccsc3)CCO2)cc1 ZINC000933627616 1027781452 /nfs/dbraw/zinc/78/14/52/1027781452.db2.gz GYCRYUQMHASVQW-SFHVURJKSA-N 1 1 312.438 3.626 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@@H+](CCCc3ccsc3)CCO2)cc1 ZINC000933627616 1027781468 /nfs/dbraw/zinc/78/14/68/1027781468.db2.gz GYCRYUQMHASVQW-SFHVURJKSA-N 1 1 312.438 3.626 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933630054 1027782479 /nfs/dbraw/zinc/78/24/79/1027782479.db2.gz VOTUKQZFNCCCNE-QRWLVFNGSA-N 1 1 317.392 3.564 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933630054 1027782497 /nfs/dbraw/zinc/78/24/97/1027782497.db2.gz VOTUKQZFNCCCNE-QRWLVFNGSA-N 1 1 317.392 3.564 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@@H+]2CC[C@@H](C)CC(C)(C)C)C1=O ZINC001275881763 1027802434 /nfs/dbraw/zinc/80/24/34/1027802434.db2.gz XPVFNSZOPHXENW-VQIMIIECSA-N 1 1 306.494 3.702 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2CC[C@@H](C)CC(C)(C)C)C1=O ZINC001275881760 1027802981 /nfs/dbraw/zinc/80/29/81/1027802981.db2.gz XPVFNSZOPHXENW-APWZRJJASA-N 1 1 306.494 3.702 20 30 DHEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000933770676 1027820841 /nfs/dbraw/zinc/82/08/41/1027820841.db2.gz QXKJFPCZQFPURI-DGCLKSJQSA-N 1 1 318.364 3.552 20 30 DHEDMO CCC1CCC([N@@H+](Cc2cnc3c(C#N)cnn3c2)C2CC2)CC1 ZINC000577634564 1027856173 /nfs/dbraw/zinc/85/61/73/1027856173.db2.gz VLFNKDZZZQKAOS-UHFFFAOYSA-N 1 1 323.444 3.534 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@H](c2ccnc(COC)n2)C1 ZINC000365485931 1027954001 /nfs/dbraw/zinc/95/40/01/1027954001.db2.gz UNWGLEOZJBMIGE-INIZCTEOSA-N 1 1 305.466 3.773 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c1 ZINC000934330429 1027967448 /nfs/dbraw/zinc/96/74/48/1027967448.db2.gz XLUIORREMKYCBY-LBPRGKRZSA-N 1 1 317.845 3.733 20 30 DHEDMO CC[C@@H](C)[C@H](C)[N@@H+](CCOc1ccc(C#N)cc1OC)C1CC1 ZINC000577906333 1027983333 /nfs/dbraw/zinc/98/33/33/1027983333.db2.gz HBYRDDSOEGWQBV-CABCVRRESA-N 1 1 316.445 3.845 20 30 DHEDMO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000934466179 1028012047 /nfs/dbraw/zinc/01/20/47/1028012047.db2.gz PWLNDBXQTHXZGP-LBPRGKRZSA-N 1 1 312.385 3.590 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000934466179 1028012061 /nfs/dbraw/zinc/01/20/61/1028012061.db2.gz PWLNDBXQTHXZGP-LBPRGKRZSA-N 1 1 312.385 3.590 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1C1CC1 ZINC001276005474 1028028814 /nfs/dbraw/zinc/02/88/14/1028028814.db2.gz XDYKRQUFLDMPBP-NRFANRHFSA-N 1 1 324.468 3.707 20 30 DHEDMO O[C@@]1(c2ccccc2)CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000365978966 1028036297 /nfs/dbraw/zinc/03/62/97/1028036297.db2.gz MPTXHXGCHJDJIA-NRFANRHFSA-N 1 1 323.411 3.551 20 30 DHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1C[C@@H]2CCCCCC[C@H]21 ZINC000366248782 1028068744 /nfs/dbraw/zinc/06/87/44/1028068744.db2.gz TZSJMZLZXOUDCC-FUHWJXTLSA-N 1 1 311.429 3.541 20 30 DHEDMO CC1CCC([N@H+](Cc2ccc(C#N)cn2)C[C@H]2CCCO2)CC1 ZINC000578140042 1028069243 /nfs/dbraw/zinc/06/92/43/1028069243.db2.gz ZSAVIVUFXBBKFC-XUJQIHCRSA-N 1 1 313.445 3.513 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N2CCC[N@H+](C(C)C)CC2)c1 ZINC000934877282 1028135263 /nfs/dbraw/zinc/13/52/63/1028135263.db2.gz IPLLQWJOIVPXIX-UHFFFAOYSA-N 1 1 301.434 3.668 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000934876314 1028137064 /nfs/dbraw/zinc/13/70/64/1028137064.db2.gz MVYVFNUSVQRWMI-MAUKXSAKSA-N 1 1 315.461 3.914 20 30 DHEDMO CCc1ccc([C@H]2CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000814642862 1028145559 /nfs/dbraw/zinc/14/55/59/1028145559.db2.gz UEAKAZVDFLVSBU-SFTDATJTSA-N 1 1 320.436 3.644 20 30 DHEDMO CC1(C)C[N@@H+](CCCC2(C#N)CCOCC2)CC2(CCCC2)O1 ZINC000367196384 1028146692 /nfs/dbraw/zinc/14/66/92/1028146692.db2.gz RYRYSIGJRBWFCO-UHFFFAOYSA-N 1 1 320.477 3.511 20 30 DHEDMO C=C(Br)C[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000747969625 1028157343 /nfs/dbraw/zinc/15/73/43/1028157343.db2.gz QTBQAUAIIVFENL-CVEARBPZSA-N 1 1 324.262 3.995 20 30 DHEDMO C=C(Br)C[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000747969625 1028157350 /nfs/dbraw/zinc/15/73/50/1028157350.db2.gz QTBQAUAIIVFENL-CVEARBPZSA-N 1 1 324.262 3.995 20 30 DHEDMO C=CCCC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001134555744 1028159705 /nfs/dbraw/zinc/15/97/05/1028159705.db2.gz CPPGOZZRISWVPP-OALUTQOASA-N 1 1 314.473 3.727 20 30 DHEDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccccc1C(C)(C)C#N)C2 ZINC000367597001 1028209608 /nfs/dbraw/zinc/20/96/08/1028209608.db2.gz LBNWIEDGTXXZEY-UHFFFAOYSA-N 1 1 312.457 3.879 20 30 DHEDMO C=CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CCCC)c1ccccc1 ZINC000578704785 1028218598 /nfs/dbraw/zinc/21/85/98/1028218598.db2.gz SRMBYWOAAPJBSU-AEFFLSMTSA-N 1 1 302.462 3.583 20 30 DHEDMO C=C[C@H](CC)CC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000935285655 1028237999 /nfs/dbraw/zinc/23/79/99/1028237999.db2.gz BSEGXKBKBWHGLF-YQVWRLOYSA-N 1 1 314.473 3.616 20 30 DHEDMO Cc1ccnc(N=NC2CCC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000814868558 1028251610 /nfs/dbraw/zinc/25/16/10/1028251610.db2.gz XSXLDUWAQCTXND-INIZCTEOSA-N 1 1 308.429 3.842 20 30 DHEDMO Fc1ccc(F)c(CN[NH+]=C2CC[C@H]3CNc4cccc2c43)c1 ZINC000814872482 1028254316 /nfs/dbraw/zinc/25/43/16/1028254316.db2.gz OFQHIWSXBDKEJT-NSHDSACASA-N 1 1 313.351 3.762 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CC[C@H]1CCCC1(F)F ZINC001170770030 1028262616 /nfs/dbraw/zinc/26/26/16/1028262616.db2.gz WZSQWMXVXTWZNF-QGZVFWFLSA-N 1 1 322.399 3.832 20 30 DHEDMO COc1cc(F)ccc1N=NC(C)c1cccc(C[NH+](C)C)c1 ZINC000814915974 1028298878 /nfs/dbraw/zinc/29/88/78/1028298878.db2.gz NRKXUNHKBVNYAP-UHFFFAOYSA-N 1 1 315.392 3.732 20 30 DHEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000368131563 1028306435 /nfs/dbraw/zinc/30/64/35/1028306435.db2.gz ASDGYJWVNRJHNH-ACJLOTCBSA-N 1 1 324.428 3.655 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2CCCSCC#N)cc1C ZINC000368339106 1028340233 /nfs/dbraw/zinc/34/02/33/1028340233.db2.gz JIIAJLOGTMBWLM-INIZCTEOSA-N 1 1 304.459 3.787 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C)n1 ZINC000368422184 1028352274 /nfs/dbraw/zinc/35/22/74/1028352274.db2.gz LPDHSIAELDOLBR-WOJBJXKFSA-N 1 1 305.425 3.970 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C)n1 ZINC000368422184 1028352294 /nfs/dbraw/zinc/35/22/94/1028352294.db2.gz LPDHSIAELDOLBR-WOJBJXKFSA-N 1 1 305.425 3.970 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368487456 1028361344 /nfs/dbraw/zinc/36/13/44/1028361344.db2.gz UDPSWCGIYDTLFB-SFHVURJKSA-N 1 1 319.452 3.947 20 30 DHEDMO N#CCCC[N@H+]1CC[C@@](F)(c2ccc(C(F)(F)F)cc2)C1 ZINC000368529165 1028369886 /nfs/dbraw/zinc/36/98/86/1028369886.db2.gz YPNLXXQFYSAAQH-AWEZNQCLSA-N 1 1 300.299 3.880 20 30 DHEDMO N#CCCC[N@@H+]1CC[C@@](F)(c2ccc(C(F)(F)F)cc2)C1 ZINC000368529165 1028369899 /nfs/dbraw/zinc/36/98/99/1028369899.db2.gz YPNLXXQFYSAAQH-AWEZNQCLSA-N 1 1 300.299 3.880 20 30 DHEDMO C[C@@H]1CCCCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000579309646 1028378231 /nfs/dbraw/zinc/37/82/31/1028378231.db2.gz ZEQUOAOKPPUXNG-MRXNPFEDSA-N 1 1 323.444 3.623 20 30 DHEDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000368659942 1028394138 /nfs/dbraw/zinc/39/41/38/1028394138.db2.gz QCKCSAQHGOCKAS-SJORKVTESA-N 1 1 316.445 3.616 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000579409475 1028403707 /nfs/dbraw/zinc/40/37/07/1028403707.db2.gz SVGHIUKGLHJLNH-DNVCBOLYSA-N 1 1 316.408 3.789 20 30 DHEDMO C[C@H](CC[NH2+]C1CCC(C)(C#N)CC1)N(C)Cc1ccccc1 ZINC000449173405 1028415657 /nfs/dbraw/zinc/41/56/57/1028415657.db2.gz GAYUGTLKTNFDCA-QHGAOEGBSA-N 1 1 313.489 3.959 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000369002597 1028433759 /nfs/dbraw/zinc/43/37/59/1028433759.db2.gz RKBKCPVGRAPGIG-HXUWFJFHSA-N 1 1 312.457 3.880 20 30 DHEDMO COc1ccc2c(c1)CC[N@H+](CCCCC(C)(C)C#N)CC2 ZINC000368998720 1028433917 /nfs/dbraw/zinc/43/39/17/1028433917.db2.gz BOSUKUKFIAMDAT-UHFFFAOYSA-N 1 1 300.446 3.816 20 30 DHEDMO CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000564418948 1028437907 /nfs/dbraw/zinc/43/79/07/1028437907.db2.gz IICUJZDNTVOPLU-FXAWDEMLSA-N 1 1 311.473 3.503 20 30 DHEDMO CC(C)C[N@@H+]1CCC[C@@H](CN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000564418948 1028437913 /nfs/dbraw/zinc/43/79/13/1028437913.db2.gz IICUJZDNTVOPLU-FXAWDEMLSA-N 1 1 311.473 3.503 20 30 DHEDMO CC(C)C[N@H+]1CCC[C@@H](CN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000564418948 1028437916 /nfs/dbraw/zinc/43/79/16/1028437916.db2.gz IICUJZDNTVOPLU-FXAWDEMLSA-N 1 1 311.473 3.503 20 30 DHEDMO CC(C)(C#N)C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449239003 1028485276 /nfs/dbraw/zinc/48/52/76/1028485276.db2.gz IADTUYSOXOLXEV-UHFFFAOYSA-N 1 1 307.369 3.728 20 30 DHEDMO C=CC[N@@H+](CCOC)Cc1cnc(-c2ccccc2F)s1 ZINC000449282883 1028505942 /nfs/dbraw/zinc/50/59/42/1028505942.db2.gz IUDATQGFTQZXGN-UHFFFAOYSA-N 1 1 306.406 3.584 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1cnc(-c2ccccc2F)s1 ZINC000449282883 1028505950 /nfs/dbraw/zinc/50/59/50/1028505950.db2.gz IUDATQGFTQZXGN-UHFFFAOYSA-N 1 1 306.406 3.584 20 30 DHEDMO C#CC[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000778459975 1028527064 /nfs/dbraw/zinc/52/70/64/1028527064.db2.gz ZATBZTZLYUVNQI-LLVKDONJSA-N 1 1 306.125 3.665 20 30 DHEDMO C[N@@H+](CCCNc1c(C#N)nnc2ccccc21)C1CCCCC1 ZINC000076324124 1028578432 /nfs/dbraw/zinc/57/84/32/1028578432.db2.gz MQXGHTJNCRINOT-UHFFFAOYSA-N 1 1 323.444 3.568 20 30 DHEDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000370231502 1028579694 /nfs/dbraw/zinc/57/96/94/1028579694.db2.gz SGXWHGWGMIKPBO-JXFKEZNVSA-N 1 1 321.424 3.805 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(C#N)c1 ZINC000118989959 1028585699 /nfs/dbraw/zinc/58/56/99/1028585699.db2.gz ZDWFBARXQPRRLV-UHFFFAOYSA-N 1 1 305.356 3.757 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(C#N)c1 ZINC000118989959 1028585709 /nfs/dbraw/zinc/58/57/09/1028585709.db2.gz ZDWFBARXQPRRLV-UHFFFAOYSA-N 1 1 305.356 3.757 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@](C)(COC)C2)cc1Cl ZINC000449391385 1028609977 /nfs/dbraw/zinc/60/99/77/1028609977.db2.gz IEIBMBWIHFSQPI-QGZVFWFLSA-N 1 1 309.837 3.763 20 30 DHEDMO Cc1nsc(C)c1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000565666581 1028618511 /nfs/dbraw/zinc/61/85/11/1028618511.db2.gz YFGYLMSXBYWRNJ-UHFFFAOYSA-N 1 1 309.438 3.921 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+](CCO)CC1CCCCC1 ZINC000485879159 1028652686 /nfs/dbraw/zinc/65/26/86/1028652686.db2.gz FKORTQZPQRGFRL-UHFFFAOYSA-N 1 1 306.837 3.586 20 30 DHEDMO C[C@H](/N=C\c1ccccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778518498 1028681834 /nfs/dbraw/zinc/68/18/34/1028681834.db2.gz QFLRVXMJNQKATB-XNZYXVICSA-N 1 1 308.425 3.722 20 30 DHEDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(N(C)CCC#N)cc2)no1 ZINC000371395928 1028700237 /nfs/dbraw/zinc/70/02/37/1028700237.db2.gz LELYSHAVYFZZSP-LJQANCHMSA-N 1 1 324.428 3.670 20 30 DHEDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(N(C)CCC#N)cc2)no1 ZINC000371395928 1028700252 /nfs/dbraw/zinc/70/02/52/1028700252.db2.gz LELYSHAVYFZZSP-LJQANCHMSA-N 1 1 324.428 3.670 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)ccc1OC ZINC000449495842 1028705912 /nfs/dbraw/zinc/70/59/12/1028705912.db2.gz IJNRHFVSILSJBS-DOTOQJQBSA-N 1 1 319.445 3.507 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OC)[C@H](C)C2)cc1Cl ZINC000449500655 1028715846 /nfs/dbraw/zinc/71/58/46/1028715846.db2.gz NCMRCFMDZMKWCX-CJNGLKHVSA-N 1 1 309.837 3.762 20 30 DHEDMO CO[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)CC1(C)C ZINC000449500838 1028718337 /nfs/dbraw/zinc/71/83/37/1028718337.db2.gz OEHZBGFOIDXPCC-SFHVURJKSA-N 1 1 316.445 3.616 20 30 DHEDMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CCCCC#N ZINC000371518925 1028725590 /nfs/dbraw/zinc/72/55/90/1028725590.db2.gz UQVDXOGQEAWIBQ-CVEARBPZSA-N 1 1 321.465 3.544 20 30 DHEDMO C[C@H]([NH2+][C@H]1c2cccc(F)c2O[C@@H]1C)c1ccc(C#N)s1 ZINC000371513658 1028725838 /nfs/dbraw/zinc/72/58/38/1028725838.db2.gz GXOCKVVOINTKSL-FEUHOPSXSA-N 1 1 302.374 3.932 20 30 DHEDMO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000528742903 1028752804 /nfs/dbraw/zinc/75/28/04/1028752804.db2.gz AFCHOBHGVRDWIJ-SFHVURJKSA-N 1 1 309.388 3.860 20 30 DHEDMO CCC(C#N)(CC)C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000528870244 1028889742 /nfs/dbraw/zinc/88/97/42/1028889742.db2.gz KQBOUFAPMGLFME-UHFFFAOYSA-N 1 1 313.445 3.927 20 30 DHEDMO C=CCC[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OCC ZINC000449652685 1028890484 /nfs/dbraw/zinc/89/04/84/1028890484.db2.gz BEWXUQCYYSZUDB-AGIUHOORSA-N 1 1 307.356 3.595 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)c(F)cc1O ZINC000816485718 1028891740 /nfs/dbraw/zinc/89/17/40/1028891740.db2.gz XLRSDELIECCWBQ-UHFFFAOYSA-N 1 1 304.752 3.688 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)c(F)cc1O ZINC000816485718 1028891748 /nfs/dbraw/zinc/89/17/48/1028891748.db2.gz XLRSDELIECCWBQ-UHFFFAOYSA-N 1 1 304.752 3.688 20 30 DHEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1Cl)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000372986241 1028930092 /nfs/dbraw/zinc/93/00/92/1028930092.db2.gz VQLDPTMIZZVYGP-IUIKQTSFSA-N 1 1 322.811 3.596 20 30 DHEDMO C[C@@]1(CO)CCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000567860802 1028965898 /nfs/dbraw/zinc/96/58/98/1028965898.db2.gz GBLPZRDGUFTKCD-FQEVSTJZSA-N 1 1 306.409 3.572 20 30 DHEDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000449760981 1028968360 /nfs/dbraw/zinc/96/83/60/1028968360.db2.gz SZHGZEXUZSXTOU-CQSZACIVSA-N 1 1 312.335 3.578 20 30 DHEDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000816647782 1028977969 /nfs/dbraw/zinc/97/79/69/1028977969.db2.gz YAYDEQNEWCLTFL-JKSUJKDBSA-N 1 1 306.409 3.977 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000567968636 1028987547 /nfs/dbraw/zinc/98/75/47/1028987547.db2.gz SLSMQIOYTRHDGM-OAQYLSRUSA-N 1 1 303.405 3.508 20 30 DHEDMO C[N@@H+](CC(C)(C)CCC#N)C1CCN(CCC(F)(F)F)CC1 ZINC000449788269 1029011368 /nfs/dbraw/zinc/01/13/68/1029011368.db2.gz XLFGNINVFGEOBP-UHFFFAOYSA-N 1 1 319.415 3.665 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2cc(OC)c(OCC)c(OC)c2)C1 ZINC000628405007 1029039919 /nfs/dbraw/zinc/03/99/19/1029039919.db2.gz BCBFTZIIPFRPLT-AWEZNQCLSA-N 1 1 305.418 3.501 20 30 DHEDMO CO[C@@]1(C)CCC[N@@H+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000373464087 1029053760 /nfs/dbraw/zinc/05/37/60/1029053760.db2.gz CXRAIUOFYHLGGC-IBGZPJMESA-N 1 1 316.445 3.760 20 30 DHEDMO CC[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)[C@@H](CC)CN1C(C)=O ZINC000411306100 1029093712 /nfs/dbraw/zinc/09/37/12/1029093712.db2.gz LCALYAKKHGTKCA-ROUUACIJSA-N 1 1 319.493 3.572 20 30 DHEDMO C[N@@H+](CCC1(C#N)CCCCC1)Cc1ccc([S@](C)=O)cc1 ZINC000411335597 1029104763 /nfs/dbraw/zinc/10/47/63/1029104763.db2.gz RDTUOASLAFNNMG-QFIPXVFZSA-N 1 1 318.486 3.720 20 30 DHEDMO C=CCC1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC000449965139 1029110856 /nfs/dbraw/zinc/11/08/56/1029110856.db2.gz CCGGGVKNCXDBKJ-ALOPSCKCSA-N 1 1 304.478 3.645 20 30 DHEDMO CC1(C#N)CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411499053 1029145331 /nfs/dbraw/zinc/14/53/31/1029145331.db2.gz QWGDNMMHDODRPD-UHFFFAOYSA-N 1 1 311.473 3.798 20 30 DHEDMO C=C(C)C[N@H+](CCc1cncs1)Cc1cnn(C(C)C)c1 ZINC000411723140 1029192323 /nfs/dbraw/zinc/19/23/23/1029192323.db2.gz WQJZZKPDFUHJQQ-UHFFFAOYSA-N 1 1 304.463 3.541 20 30 DHEDMO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cn2)C(C)C)c(F)c1 ZINC000817584157 1029212016 /nfs/dbraw/zinc/21/20/16/1029212016.db2.gz SRJWQXYJVVPOPW-SFHVURJKSA-N 1 1 313.376 3.588 20 30 DHEDMO C[NH+](C)CC(C)(C)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000411826514 1029216109 /nfs/dbraw/zinc/21/61/09/1029216109.db2.gz YVHKBEXJGFAXDR-UHFFFAOYSA-N 1 1 307.441 3.655 20 30 DHEDMO CC#CC[N@@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000569628430 1029238324 /nfs/dbraw/zinc/23/83/24/1029238324.db2.gz CYTOOQFCKNBSCD-INIZCTEOSA-N 1 1 306.409 3.955 20 30 DHEDMO CC#CC[N@@H+](C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000569628433 1029238881 /nfs/dbraw/zinc/23/88/81/1029238881.db2.gz CYTOOQFCKNBSCD-MRXNPFEDSA-N 1 1 306.409 3.955 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000569694121 1029249241 /nfs/dbraw/zinc/24/92/41/1029249241.db2.gz JYVAZBFEGVMMOZ-MJGOQNOKSA-N 1 1 301.430 3.642 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000817948048 1029291421 /nfs/dbraw/zinc/29/14/21/1029291421.db2.gz SUHDYOOLVSQAQL-ZOBUZTSGSA-N 1 1 322.880 3.857 20 30 DHEDMO C=CCCCC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000569951019 1029292234 /nfs/dbraw/zinc/29/22/34/1029292234.db2.gz IOZPWUMODAMZCM-UHFFFAOYSA-N 1 1 321.424 3.939 20 30 DHEDMO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CC(C)(C)C1 ZINC000412032746 1029299634 /nfs/dbraw/zinc/29/96/34/1029299634.db2.gz HKOKACJJPWGMNG-UHFFFAOYSA-N 1 1 310.401 3.619 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000817968456 1029308177 /nfs/dbraw/zinc/30/81/77/1029308177.db2.gz JNZADWXGWSTXHM-GDBMZVCRSA-N 1 1 308.853 3.611 20 30 DHEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCCC1 ZINC000450278443 1029325109 /nfs/dbraw/zinc/32/51/09/1029325109.db2.gz RTPVMMCNZYNLMM-ZWKOTPCHSA-N 1 1 312.457 3.685 20 30 DHEDMO C#CCC[N@H+](C)C1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000374537887 1029378483 /nfs/dbraw/zinc/37/84/83/1029378483.db2.gz OPHATUCBFBAIDI-UHFFFAOYSA-N 1 1 310.363 3.629 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cn2ccc(Br)cc2n1 ZINC000570767001 1029417305 /nfs/dbraw/zinc/41/73/05/1029417305.db2.gz FRVJCQASEZUNHN-AWEZNQCLSA-N 1 1 320.234 3.637 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cn2ccc(Br)cc2n1 ZINC000570767001 1029417311 /nfs/dbraw/zinc/41/73/11/1029417311.db2.gz FRVJCQASEZUNHN-AWEZNQCLSA-N 1 1 320.234 3.637 20 30 DHEDMO C=C[C@@H](CC(=O)N[C@H](C)C[N@H+](CC)CCC)c1ccccc1 ZINC000570866450 1029433184 /nfs/dbraw/zinc/43/31/84/1029433184.db2.gz AYSZSEAZMMQLKV-SJORKVTESA-N 1 1 302.462 3.583 20 30 DHEDMO C[C@H](C1CC1)[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000374906791 1029495119 /nfs/dbraw/zinc/49/51/19/1029495119.db2.gz CZZOAKDIAQRWME-CQSZACIVSA-N 1 1 320.440 3.722 20 30 DHEDMO C[C@@H]1C[C@@H](N(C)CC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000450477523 1029502335 /nfs/dbraw/zinc/50/23/35/1029502335.db2.gz WRNRVDGFGPGDNB-MJGOQNOKSA-N 1 1 311.473 3.665 20 30 DHEDMO COc1ccc(OC)c(C[N@H+](CC2(C#N)CCC2)C(C)(C)C)c1 ZINC000450493789 1029513644 /nfs/dbraw/zinc/51/36/44/1029513644.db2.gz GOAXGWWBNZCZQA-UHFFFAOYSA-N 1 1 316.445 3.998 20 30 DHEDMO COc1ccc(OC)c(C[N@@H+](CC2(C#N)CCC2)C(C)(C)C)c1 ZINC000450493789 1029513650 /nfs/dbraw/zinc/51/36/50/1029513650.db2.gz GOAXGWWBNZCZQA-UHFFFAOYSA-N 1 1 316.445 3.998 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCc2cccc(Cl)c2C1 ZINC001170935958 1029603533 /nfs/dbraw/zinc/60/35/33/1029603533.db2.gz WDOHLBYHRCUXKM-HNKHHVNMSA-N 1 1 300.833 3.964 20 30 DHEDMO CC(N=N[C@H](C)c1ccncc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000819816550 1029613238 /nfs/dbraw/zinc/61/32/38/1029613238.db2.gz KVKXDEZITBHUOS-UZLBHIALSA-N 1 1 322.456 3.630 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451353348 1029853551 /nfs/dbraw/zinc/85/35/51/1029853551.db2.gz NZYCNOWEYJEMTL-KZNAEPCWSA-N 1 1 318.848 3.727 20 30 DHEDMO CCO[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000451526847 1029900746 /nfs/dbraw/zinc/90/07/46/1029900746.db2.gz HCJJJUIQGXETHL-YJBOKZPZSA-N 1 1 300.446 3.735 20 30 DHEDMO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1cccc(C)c1 ZINC000794854042 1029945548 /nfs/dbraw/zinc/94/55/48/1029945548.db2.gz AQDZVWKNJPMIHD-UHFFFAOYSA-N 1 1 305.385 3.517 20 30 DHEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc(C#N)c(Br)c1 ZINC001458409448 1029955341 /nfs/dbraw/zinc/95/53/41/1029955341.db2.gz ZAIOXMHQQYLTJF-GFCCVEGCSA-N 1 1 324.266 3.853 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1)C1CC1 ZINC000357296522 1029982417 /nfs/dbraw/zinc/98/24/17/1029982417.db2.gz DMCOSLXBPHKRPE-UHFFFAOYSA-N 1 1 319.408 3.795 20 30 DHEDMO CC[N@@H+](Cc1ccccc1C#N)[C@H](COC)Cc1ccccc1 ZINC000530866632 1030050747 /nfs/dbraw/zinc/05/07/47/1030050747.db2.gz WTRGIDDDCGVZRR-FQEVSTJZSA-N 1 1 308.425 3.638 20 30 DHEDMO C=CCCC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC001136598252 1030062588 /nfs/dbraw/zinc/06/25/88/1030062588.db2.gz YJEYMTMWTQSKLM-VQIMIIECSA-N 1 1 314.473 3.725 20 30 DHEDMO N#CCCC[C@@H]([NH3+])c1nc(CCCc2ccccc2Cl)no1 ZINC000822817854 1030135802 /nfs/dbraw/zinc/13/58/02/1030135802.db2.gz AADIJWSEBQDGPI-CQSZACIVSA-N 1 1 318.808 3.592 20 30 DHEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC001171007144 1030208019 /nfs/dbraw/zinc/20/80/19/1030208019.db2.gz MDOSJNLZEMWFDE-CYBMUJFWSA-N 1 1 300.352 3.899 20 30 DHEDMO CCSc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2O)ccn1 ZINC000866344258 1030242490 /nfs/dbraw/zinc/24/24/90/1030242490.db2.gz SRIADGJIAUFRFM-GFCCVEGCSA-N 1 1 313.426 3.622 20 30 DHEDMO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000533289157 1030246724 /nfs/dbraw/zinc/24/67/24/1030246724.db2.gz WHEMQVNYODCWKV-OAHLLOKOSA-N 1 1 316.445 3.894 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000533289157 1030246740 /nfs/dbraw/zinc/24/67/40/1030246740.db2.gz WHEMQVNYODCWKV-OAHLLOKOSA-N 1 1 316.445 3.894 20 30 DHEDMO C=CCC1(C(=O)NCCn2cc[nH+]c2C(C)C)CCCCC1 ZINC000823287487 1030258825 /nfs/dbraw/zinc/25/88/25/1030258825.db2.gz ZTGOVNPWSQVJTP-UHFFFAOYSA-N 1 1 303.450 3.649 20 30 DHEDMO Cc1ccc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)c1 ZINC000533299553 1030259622 /nfs/dbraw/zinc/25/96/22/1030259622.db2.gz NIJYUMARKYHXQO-INIZCTEOSA-N 1 1 321.424 3.807 20 30 DHEDMO C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1cccc(C#N)c1O ZINC000866400007 1030278865 /nfs/dbraw/zinc/27/88/65/1030278865.db2.gz UVFXWLOPOUXZCS-UGSOOPFHSA-N 1 1 307.397 3.851 20 30 DHEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000533390746 1030326157 /nfs/dbraw/zinc/32/61/57/1030326157.db2.gz YREBTLYOTKIPKX-LJQANCHMSA-N 1 1 308.425 3.610 20 30 DHEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@](C)(O)c1ccccc1 ZINC000823606428 1030340995 /nfs/dbraw/zinc/34/09/95/1030340995.db2.gz SSFSEHZAUIRKJC-OAQYLSRUSA-N 1 1 322.452 3.827 20 30 DHEDMO C=CCN(C)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC000558108672 1030424958 /nfs/dbraw/zinc/42/49/58/1030424958.db2.gz YLKCFOLQSSXXMU-MRXNPFEDSA-N 1 1 323.868 3.550 20 30 DHEDMO OC[C@H]1C=C[C@@H]([N@H+](CC#Cc2ccccc2)Cc2cccs2)C1 ZINC000558137623 1030434487 /nfs/dbraw/zinc/43/44/87/1030434487.db2.gz CTSHZTOOVBTERY-RBUKOAKNSA-N 1 1 323.461 3.539 20 30 DHEDMO OC[C@H]1C=C[C@@H]([N@@H+](CC#Cc2ccccc2)Cc2cccs2)C1 ZINC000558137623 1030434494 /nfs/dbraw/zinc/43/44/94/1030434494.db2.gz CTSHZTOOVBTERY-RBUKOAKNSA-N 1 1 323.461 3.539 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](CC)c1ccccc1OC ZINC000558180304 1030453558 /nfs/dbraw/zinc/45/35/58/1030453558.db2.gz GXJZLBKXZWUBOZ-QGZVFWFLSA-N 1 1 318.461 3.503 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](CC)c1ccccc1OC ZINC000558180304 1030453561 /nfs/dbraw/zinc/45/35/61/1030453561.db2.gz GXJZLBKXZWUBOZ-QGZVFWFLSA-N 1 1 318.461 3.503 20 30 DHEDMO C[N@@H+](CCCC#N)CCOc1ccc(OCc2ccccc2)cc1 ZINC000358468388 1030500050 /nfs/dbraw/zinc/50/00/50/1030500050.db2.gz NKDXIQDXRQVVGQ-UHFFFAOYSA-N 1 1 324.424 3.880 20 30 DHEDMO C[C@@H]1CC(N=Nc2ncccc2F)C[N@@H+](Cc2ccccc2)C1 ZINC000794981665 1030511540 /nfs/dbraw/zinc/51/15/40/1030511540.db2.gz ZJEGDKZGTXXEQM-CQSZACIVSA-N 1 1 312.392 3.531 20 30 DHEDMO CC(N=Nc1cccc(F)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000795008918 1030568459 /nfs/dbraw/zinc/56/84/59/1030568459.db2.gz SUDWSPULLNCTRQ-MRXNPFEDSA-N 1 1 312.392 3.531 20 30 DHEDMO CC(C)(C)Oc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C#N ZINC000824722350 1030623203 /nfs/dbraw/zinc/62/32/03/1030623203.db2.gz QMNJXOWLVSDIQS-SJORKVTESA-N 1 1 313.445 3.774 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3ccsc3)CC2)C1=O ZINC001275618560 1030643822 /nfs/dbraw/zinc/64/38/22/1030643822.db2.gz QUXJRMAQVMQKPB-SFHVURJKSA-N 1 1 318.486 3.529 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000248603877 1030752078 /nfs/dbraw/zinc/75/20/78/1030752078.db2.gz BQMGYPCUYJNHBP-ZMSDIMECSA-N 1 1 320.502 3.850 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)ccn1 ZINC000593080091 1030752581 /nfs/dbraw/zinc/75/25/81/1030752581.db2.gz DVCAQPRAUMWTBA-GOSISDBHSA-N 1 1 309.388 3.690 20 30 DHEDMO CC(C)n1cc([C@H](C)[NH2+][C@@H](CCCC#N)c2ccccc2)nn1 ZINC000926480005 1030757433 /nfs/dbraw/zinc/75/74/33/1030757433.db2.gz NQXDRDMVWPWWEW-RDJZCZTQSA-N 1 1 311.433 3.945 20 30 DHEDMO CC[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cccc(C#N)c1O ZINC000926710714 1030878361 /nfs/dbraw/zinc/87/83/61/1030878361.db2.gz KMRZJJVELXHDPX-KRWDZBQOSA-N 1 1 324.428 3.506 20 30 DHEDMO Cc1ncc([C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)n1 ZINC000614963473 1030880505 /nfs/dbraw/zinc/88/05/05/1030880505.db2.gz FIGHGHRWYUABRM-HNNXBMFYSA-N 1 1 318.424 3.815 20 30 DHEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C)cc1 ZINC001275655611 1031006040 /nfs/dbraw/zinc/00/60/40/1031006040.db2.gz OYOXJAFHFNCYGU-HXUWFJFHSA-N 1 1 312.457 3.528 20 30 DHEDMO C[C@H]1CC[C@@]2(CC[N@@H+](Cc3nnc(-c4cccc(C#N)c4)o3)C2)C1 ZINC000359556828 1031027489 /nfs/dbraw/zinc/02/74/89/1031027489.db2.gz MLBSYMGUBUOMIO-IFXJQAMLSA-N 1 1 322.412 3.620 20 30 DHEDMO C[N@@H+](CC/C=C/c1ccccc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370728 1031074163 /nfs/dbraw/zinc/07/41/63/1031074163.db2.gz ISQLNVRBTAFGSF-URZUPRTMSA-N 1 1 306.409 3.627 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578383 1031108769 /nfs/dbraw/zinc/10/87/69/1031108769.db2.gz BXNJGRHOFNQSLB-AWEZNQCLSA-N 1 1 308.372 3.691 20 30 DHEDMO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(Cl)cc1C#N ZINC000359882474 1031179856 /nfs/dbraw/zinc/17/98/56/1031179856.db2.gz WKZFZJQVHXSPSZ-UHFFFAOYSA-N 1 1 322.836 3.765 20 30 DHEDMO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(Cl)cc1C#N ZINC000359882474 1031179868 /nfs/dbraw/zinc/17/98/68/1031179868.db2.gz WKZFZJQVHXSPSZ-UHFFFAOYSA-N 1 1 322.836 3.765 20 30 DHEDMO CC(=O)c1ccc(C#N)c(NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000347395176 1031210350 /nfs/dbraw/zinc/21/03/50/1031210350.db2.gz CQLPOMXGQVRSCB-UHFFFAOYSA-N 1 1 321.424 3.695 20 30 DHEDMO N#Cc1cncc(C[N@H+]2CCC[C@H](CCc3ccccc3)C2)c1 ZINC001144086370 1031222346 /nfs/dbraw/zinc/22/23/46/1031222346.db2.gz PQFQACZPWHRBBJ-GOSISDBHSA-N 1 1 305.425 3.798 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171136136 1031228369 /nfs/dbraw/zinc/22/83/69/1031228369.db2.gz RQZVIQPJNZHWSB-GQAVTEOGSA-N 1 1 300.833 3.964 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccn2)C2CCCCC2)nc1 ZINC001144163437 1031282711 /nfs/dbraw/zinc/28/27/11/1031282711.db2.gz GKJQAKDHZHGECN-UHFFFAOYSA-N 1 1 306.413 3.683 20 30 DHEDMO CC1(C)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]2CCC[C@@H]21 ZINC000293048320 1031302622 /nfs/dbraw/zinc/30/26/22/1031302622.db2.gz MPABYXSVFPKKKA-JKSUJKDBSA-N 1 1 322.412 3.619 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](CCc3ccccc3)C2)nc1 ZINC001144169576 1031307195 /nfs/dbraw/zinc/30/71/95/1031307195.db2.gz MQPFXKVLAYBGJW-SFHVURJKSA-N 1 1 305.425 3.798 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C2CCSCC2)nc1 ZINC001144166384 1031307409 /nfs/dbraw/zinc/30/74/09/1031307409.db2.gz CDALIGUMHODIID-UHFFFAOYSA-N 1 1 323.465 3.851 20 30 DHEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2cc(C#N)c3ccccc3n2)C1 ZINC000533818956 1031323316 /nfs/dbraw/zinc/32/33/16/1031323316.db2.gz IQPNEJCVLNCZIC-IBGZPJMESA-N 1 1 314.392 3.705 20 30 DHEDMO COc1cc(C[NH+]2CCC(CC#N)CC2)ccc1Br ZINC001144232300 1031366816 /nfs/dbraw/zinc/36/68/16/1031366816.db2.gz QCFKMOMQKPFBDH-UHFFFAOYSA-N 1 1 323.234 3.583 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)ccc1OC ZINC000536670562 1031382282 /nfs/dbraw/zinc/38/22/82/1031382282.db2.gz UESVQXYOCVPNHV-GJZGRUSLSA-N 1 1 321.486 3.976 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(Cl)s2)C1=O ZINC001275694934 1031387903 /nfs/dbraw/zinc/38/79/03/1031387903.db2.gz GCFBQQUBNVQOPB-INIZCTEOSA-N 1 1 324.877 3.545 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(Cl)s2)C1=O ZINC001275694934 1031387921 /nfs/dbraw/zinc/38/79/21/1031387921.db2.gz GCFBQQUBNVQOPB-INIZCTEOSA-N 1 1 324.877 3.545 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(CF)cc3)CCO2)c1 ZINC000777712555 1031399323 /nfs/dbraw/zinc/39/93/23/1031399323.db2.gz HNMCZWHHZKVSJU-LJQANCHMSA-N 1 1 310.372 3.601 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(CF)cc3)CCO2)c1 ZINC000777712555 1031399332 /nfs/dbraw/zinc/39/93/32/1031399332.db2.gz HNMCZWHHZKVSJU-LJQANCHMSA-N 1 1 310.372 3.601 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000537047989 1031495882 /nfs/dbraw/zinc/49/58/82/1031495882.db2.gz CUEYTWJUOROZIY-MSOLQXFVSA-N 1 1 314.473 3.873 20 30 DHEDMO C[N@H+](Cc1cncc(C#N)c1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000929423839 1031517906 /nfs/dbraw/zinc/51/79/06/1031517906.db2.gz DREJGPZWJVGSTF-PMACEKPBSA-N 1 1 321.424 3.553 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCCSC1 ZINC000433190891 1031520827 /nfs/dbraw/zinc/52/08/27/1031520827.db2.gz XMPLSPOJCPHYBS-OAHLLOKOSA-N 1 1 324.877 3.556 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000929123935 1031535324 /nfs/dbraw/zinc/53/53/24/1031535324.db2.gz FSDVWQFSVCBWGJ-LBPRGKRZSA-N 1 1 302.727 3.986 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000929123935 1031535311 /nfs/dbraw/zinc/53/53/11/1031535311.db2.gz FSDVWQFSVCBWGJ-LBPRGKRZSA-N 1 1 302.727 3.986 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000537224100 1031544027 /nfs/dbraw/zinc/54/40/27/1031544027.db2.gz HUMQQVGWUDWQEC-CRAIPNDOSA-N 1 1 318.436 3.651 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000537224100 1031544043 /nfs/dbraw/zinc/54/40/43/1031544043.db2.gz HUMQQVGWUDWQEC-CRAIPNDOSA-N 1 1 318.436 3.651 20 30 DHEDMO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000929586121 1031552226 /nfs/dbraw/zinc/55/22/26/1031552226.db2.gz LMSRZXPZAGUHOL-SFHVURJKSA-N 1 1 307.397 3.689 20 30 DHEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929586121 1031552242 /nfs/dbraw/zinc/55/22/42/1031552242.db2.gz LMSRZXPZAGUHOL-SFHVURJKSA-N 1 1 307.397 3.689 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C2(c3cc(C)cc(C)c3)CC2)no1 ZINC000872183172 1031553885 /nfs/dbraw/zinc/55/38/85/1031553885.db2.gz BQWNVWNKMSDDQK-AWEZNQCLSA-N 1 1 317.820 3.909 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2CCC(C#N)CC2)C1 ZINC000929644973 1031565106 /nfs/dbraw/zinc/56/51/06/1031565106.db2.gz YYWQXBRMUCQGCJ-OAHAVBBTSA-N 1 1 317.521 3.903 20 30 DHEDMO C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929644973 1031565120 /nfs/dbraw/zinc/56/51/20/1031565120.db2.gz YYWQXBRMUCQGCJ-OAHAVBBTSA-N 1 1 317.521 3.903 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872278111 1031570599 /nfs/dbraw/zinc/57/05/99/1031570599.db2.gz GVBBZGORYNBPFT-SFHVURJKSA-N 1 1 302.393 3.621 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872278111 1031570608 /nfs/dbraw/zinc/57/06/08/1031570608.db2.gz GVBBZGORYNBPFT-SFHVURJKSA-N 1 1 302.393 3.621 20 30 DHEDMO CCC[N@@H+](CC1CCC(C#N)CC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000929695795 1031580951 /nfs/dbraw/zinc/58/09/51/1031580951.db2.gz HTXXVGFIXUMKDS-NHHFINERSA-N 1 1 304.478 3.842 20 30 DHEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929772471 1031601790 /nfs/dbraw/zinc/60/17/90/1031601790.db2.gz PGPLOZKLTBBBNF-VBCZASBNSA-N 1 1 318.486 3.747 20 30 DHEDMO COCC[N@@H+](CCCCC1(C#N)CCC1)Cc1ccc(C)o1 ZINC000929837243 1031620064 /nfs/dbraw/zinc/62/00/64/1031620064.db2.gz LOHOSNAZRQPTRN-UHFFFAOYSA-N 1 1 304.434 3.901 20 30 DHEDMO COC(=O)c1ccc(C[N@@H+](C)CCCCC2(C#N)CCC2)cc1 ZINC000929874488 1031632849 /nfs/dbraw/zinc/63/28/49/1031632849.db2.gz RSEGNUGMXXNGIL-UHFFFAOYSA-N 1 1 314.429 3.769 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CCO2)cc1 ZINC000897595591 1031677673 /nfs/dbraw/zinc/67/76/73/1031677673.db2.gz CRCSXMDMJVGYLG-HXUWFJFHSA-N 1 1 317.392 3.613 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CCO2)cc1 ZINC000897595591 1031677689 /nfs/dbraw/zinc/67/76/89/1031677689.db2.gz CRCSXMDMJVGYLG-HXUWFJFHSA-N 1 1 317.392 3.613 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCSC[C@H]2c2cccc(OC)c2)cc1 ZINC001144581087 1031718491 /nfs/dbraw/zinc/71/84/91/1031718491.db2.gz NMQJBVCLKSAFQB-FQEVSTJZSA-N 1 1 323.461 3.967 20 30 DHEDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000897624206 1031746389 /nfs/dbraw/zinc/74/63/89/1031746389.db2.gz BSJHNPTUHIZYEU-UHFFFAOYSA-N 1 1 315.398 3.777 20 30 DHEDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000897624206 1031746403 /nfs/dbraw/zinc/74/64/03/1031746403.db2.gz BSJHNPTUHIZYEU-UHFFFAOYSA-N 1 1 315.398 3.777 20 30 DHEDMO Cn1nccc1[C@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930308007 1031777220 /nfs/dbraw/zinc/77/72/20/1031777220.db2.gz TZSAQNQWCSNAPD-QGZVFWFLSA-N 1 1 300.450 3.811 20 30 DHEDMO Cc1oc2ccccc2c1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846007043 1031805498 /nfs/dbraw/zinc/80/54/98/1031805498.db2.gz MOVLWXWPOSIJFM-LJQANCHMSA-N 1 1 320.392 3.778 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+](CCC#N)Cc1ccccc1 ZINC001171204319 1031805798 /nfs/dbraw/zinc/80/57/98/1031805798.db2.gz VSWZAAZAZBMWTD-KRWDZBQOSA-N 1 1 303.409 3.905 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](CCC#N)Cc1ccccc1 ZINC001171204319 1031805812 /nfs/dbraw/zinc/80/58/12/1031805812.db2.gz VSWZAAZAZBMWTD-KRWDZBQOSA-N 1 1 303.409 3.905 20 30 DHEDMO N#CC1CCC(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)CC1 ZINC000930459036 1031825152 /nfs/dbraw/zinc/82/51/52/1031825152.db2.gz RVGPEGRWRMZWRI-NYODRFNBSA-N 1 1 324.468 3.821 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000930520912 1031857290 /nfs/dbraw/zinc/85/72/90/1031857290.db2.gz HFEQHHVQTJRXMW-IRXDYDNUSA-N 1 1 316.832 3.745 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000930520912 1031857305 /nfs/dbraw/zinc/85/73/05/1031857305.db2.gz HFEQHHVQTJRXMW-IRXDYDNUSA-N 1 1 316.832 3.745 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000930610309 1031888228 /nfs/dbraw/zinc/88/82/28/1031888228.db2.gz CNGVKNDFRXFUFF-RCCFBDPRSA-N 1 1 318.848 3.727 20 30 DHEDMO N#Cc1cccc(C[NH+]2CCC(C(=O)c3cccs3)CC2)c1 ZINC000361389581 1031903020 /nfs/dbraw/zinc/90/30/20/1031903020.db2.gz JFPUXXCZJSNVTP-UHFFFAOYSA-N 1 1 310.422 3.715 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc3scnc3c1)CC2 ZINC001144732385 1031912677 /nfs/dbraw/zinc/91/26/77/1031912677.db2.gz CRLCZMJNCJGECD-UHFFFAOYSA-N 1 1 305.406 3.726 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc3scnc3c1)CC2 ZINC001144732385 1031912682 /nfs/dbraw/zinc/91/26/82/1031912682.db2.gz CRLCZMJNCJGECD-UHFFFAOYSA-N 1 1 305.406 3.726 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)C[C@@]1(O)CCc2ccccc21 ZINC000930812076 1031956502 /nfs/dbraw/zinc/95/65/02/1031956502.db2.gz GYNSGBNPAXBEBR-FQEVSTJZSA-N 1 1 312.457 3.616 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000930809981 1031957529 /nfs/dbraw/zinc/95/75/29/1031957529.db2.gz FCRFGQPRSAXCNS-DOTOQJQBSA-N 1 1 304.821 3.603 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001171221031 1031959456 /nfs/dbraw/zinc/95/94/56/1031959456.db2.gz HJDDCTDFPMKVKZ-LAUBAEHRSA-N 1 1 320.436 3.780 20 30 DHEDMO CCC[N@@H+](CCc1ccccn1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171224066 1031968309 /nfs/dbraw/zinc/96/83/09/1031968309.db2.gz PHRCKLDWPKRDMG-KRWDZBQOSA-N 1 1 307.441 3.839 20 30 DHEDMO COc1ccc([C@@H]2CC[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C2)cc1 ZINC001171229372 1031994337 /nfs/dbraw/zinc/99/43/37/1031994337.db2.gz MVPIQDKFUXIMPB-OXJNMPFZSA-N 1 1 320.436 3.987 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361574143 1031995796 /nfs/dbraw/zinc/99/57/96/1031995796.db2.gz SNECWKOUBTXOQO-CQSZACIVSA-N 1 1 304.393 3.872 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(F)cc1F ZINC001171230690 1031996053 /nfs/dbraw/zinc/99/60/53/1031996053.db2.gz XNEDROSTYOEUFB-CYBMUJFWSA-N 1 1 300.352 3.899 20 30 DHEDMO C=CCCC[N@H+](CC)Cc1cnc(-c2ccccc2OC)nc1 ZINC000898244810 1031999526 /nfs/dbraw/zinc/99/95/26/1031999526.db2.gz QXIVIGGHLNCNKT-UHFFFAOYSA-N 1 1 311.429 3.940 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC(=O)[C@H](C)C12CCCC2 ZINC001171231712 1032000934 /nfs/dbraw/zinc/00/09/34/1032000934.db2.gz LIQMBHOONVILPR-HOTGVXAUSA-N 1 1 310.441 3.713 20 30 DHEDMO CC[N@@H+](CCOc1ccccc1OC)CC1CCC(C#N)CC1 ZINC000931071220 1032025946 /nfs/dbraw/zinc/02/59/46/1032025946.db2.gz VMWQIRMHSULZSQ-UHFFFAOYSA-N 1 1 316.445 3.726 20 30 DHEDMO C[C@H](C[N@@H+](C)CCC1(C#N)CCCCC1)NC(=O)OC(C)(C)C ZINC000860101253 1033298947 /nfs/dbraw/zinc/29/89/47/1033298947.db2.gz UZBIVKXPHTWWQW-OAHLLOKOSA-N 1 1 323.481 3.696 20 30 DHEDMO C[C@@H]1CCC[C@H]([N@@H+](CCC#N)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000338264787 1033309720 /nfs/dbraw/zinc/30/97/20/1033309720.db2.gz HBVUNNJCQUTQTR-INMHGKMJSA-N 1 1 314.429 3.956 20 30 DHEDMO COc1ccc(C[N@H+](CC2CCC2)CC2(C#N)CC2)c(OC)c1 ZINC000338330004 1033323995 /nfs/dbraw/zinc/32/39/95/1033323995.db2.gz AFZQXEDDMCGEOT-UHFFFAOYSA-N 1 1 314.429 3.610 20 30 DHEDMO COc1ccc(C[N@@H+](CC2CCC2)CC2(C#N)CC2)c(OC)c1 ZINC000338330004 1033324007 /nfs/dbraw/zinc/32/40/07/1033324007.db2.gz AFZQXEDDMCGEOT-UHFFFAOYSA-N 1 1 314.429 3.610 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338372300 1033333687 /nfs/dbraw/zinc/33/36/87/1033333687.db2.gz UOPCNDPFACFAIS-MRXNPFEDSA-N 1 1 316.445 3.572 20 30 DHEDMO COC(=O)[C@H]1CCC[C@@H]([N@@H+](CCC#N)Cc2ccccc2)CC1 ZINC001172782662 1033366766 /nfs/dbraw/zinc/36/67/66/1033366766.db2.gz HYSNPPNUCLOMGS-ZWKOTPCHSA-N 1 1 314.429 3.524 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877594207 1033372628 /nfs/dbraw/zinc/37/26/28/1033372628.db2.gz PJJNKLUUVKVNSC-QGZVFWFLSA-N 1 1 322.799 3.646 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000877657770 1033400583 /nfs/dbraw/zinc/40/05/83/1033400583.db2.gz IGPDWACUJYPRQB-QAPCUYQASA-N 1 1 313.445 3.742 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172800671 1033405159 /nfs/dbraw/zinc/40/51/59/1033405159.db2.gz ZSDOZVNZTPLICX-QZTJIDSGSA-N 1 1 301.430 3.797 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)cc1 ZINC000877737578 1033428302 /nfs/dbraw/zinc/42/83/02/1033428302.db2.gz JKLHCCFZYPEERR-HOTGVXAUSA-N 1 1 300.471 3.673 20 30 DHEDMO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000877828256 1033475669 /nfs/dbraw/zinc/47/56/69/1033475669.db2.gz IJPLNTQPMYMUBS-LLVKDONJSA-N 1 1 320.318 3.526 20 30 DHEDMO CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)Cc1ccccc1 ZINC000877902050 1033506089 /nfs/dbraw/zinc/50/60/89/1033506089.db2.gz DRMLZSMAZNPNMK-NRFANRHFSA-N 1 1 320.436 3.949 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)C1CCC(C)CC1)c1ccccc1 ZINC000877919738 1033516012 /nfs/dbraw/zinc/51/60/12/1033516012.db2.gz VMMHMIOFWVBNIR-RRWXTXHCSA-N 1 1 312.457 3.938 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000877953364 1033528949 /nfs/dbraw/zinc/52/89/49/1033528949.db2.gz LKMZDBQJONTMJE-KXBFYZLASA-N 1 1 300.446 3.793 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878152496 1033598184 /nfs/dbraw/zinc/59/81/84/1033598184.db2.gz IFDSPJYUZDZPCH-KNJMJIDISA-N 1 1 310.441 3.716 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878152496 1033598190 /nfs/dbraw/zinc/59/81/90/1033598190.db2.gz IFDSPJYUZDZPCH-KNJMJIDISA-N 1 1 310.441 3.716 20 30 DHEDMO CC[N@@H+](CCC1CCN(c2cc(C#N)ccn2)CC1)CC(C)C ZINC000553185470 1033623504 /nfs/dbraw/zinc/62/35/04/1033623504.db2.gz XTAAPNURGPPZOH-UHFFFAOYSA-N 1 1 314.477 3.538 20 30 DHEDMO C=CCOC1CCC([NH2+][C@@H](CCN(C)C)c2ccccc2)CC1 ZINC001173311620 1033665348 /nfs/dbraw/zinc/66/53/48/1033665348.db2.gz MSWMKJFPTNZQOX-MHJFOBGBSA-N 1 1 316.489 3.783 20 30 DHEDMO CCCCCCCC[C@H](CCC)[N@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001173310412 1033665475 /nfs/dbraw/zinc/66/54/75/1033665475.db2.gz UYSRFEBXTPRMHZ-BZSNNMDCSA-N 1 1 308.510 3.974 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CC[C@H](CC)C1)[C@@H]2CC ZINC001173281777 1033672203 /nfs/dbraw/zinc/67/22/03/1033672203.db2.gz ZEKUXQKGOQYUEI-GNBUJSLZSA-N 1 1 318.505 3.987 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCOC[C@H]2C2CCCCC2)CC1 ZINC001173323502 1033684818 /nfs/dbraw/zinc/68/48/18/1033684818.db2.gz ZJJRWXOGCIKIKV-ACBHZAAOSA-N 1 1 307.478 3.781 20 30 DHEDMO CCOC(=O)[C@@]1(C)CCCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173330940 1033689131 /nfs/dbraw/zinc/68/91/31/1033689131.db2.gz HYHJEWWXDXGIHG-HTWSVDAQSA-N 1 1 306.450 3.514 20 30 DHEDMO CC(C)(O)C[N@@H+](Cc1ccccc1)C1CCC(CC#N)CC1 ZINC001173336857 1033690965 /nfs/dbraw/zinc/69/09/65/1033690965.db2.gz OWTAKAJIZBWDQJ-UHFFFAOYSA-N 1 1 300.446 3.732 20 30 DHEDMO N#CCC1CCC([N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001173336522 1033691832 /nfs/dbraw/zinc/69/18/32/1033691832.db2.gz CKZXJTDWZPMBHP-RWKZGTHUSA-N 1 1 320.383 3.811 20 30 DHEDMO N#CCC1CCC([N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001173336522 1033691836 /nfs/dbraw/zinc/69/18/36/1033691836.db2.gz CKZXJTDWZPMBHP-RWKZGTHUSA-N 1 1 320.383 3.811 20 30 DHEDMO C[C@H]1C[N@H+](C2CCC(CC#N)CC2)CCN1Cc1ccccc1 ZINC001173336860 1033692564 /nfs/dbraw/zinc/69/25/64/1033692564.db2.gz OZLIMFQAVHSJNQ-ZJRDLVKKSA-N 1 1 311.473 3.665 20 30 DHEDMO Cc1cccnc1O[C@@H]1CCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173341212 1033697035 /nfs/dbraw/zinc/69/70/35/1033697035.db2.gz SCXHPYGTHWNDSO-DAWZGUTISA-N 1 1 313.445 3.706 20 30 DHEDMO C=CC[C@@H]1[N@H+](C[C@@H]2CC3(CO2)CCOCC3)CCCC1(C)C ZINC000878516851 1033734347 /nfs/dbraw/zinc/73/43/47/1033734347.db2.gz WSZREMDHNMJIGW-IRXDYDNUSA-N 1 1 307.478 3.639 20 30 DHEDMO C=CC[C@@H]1[N@H+](C[C@H]2CC3(CO2)CCOCC3)CCCC1(C)C ZINC000878516852 1033735091 /nfs/dbraw/zinc/73/50/91/1033735091.db2.gz WSZREMDHNMJIGW-SJORKVTESA-N 1 1 307.478 3.639 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878533216 1033738621 /nfs/dbraw/zinc/73/86/21/1033738621.db2.gz LMUNWTIKXBREHM-IBGZPJMESA-N 1 1 315.457 3.793 20 30 DHEDMO CCCC[C@H](C)[N@@H+](C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878632577 1033778946 /nfs/dbraw/zinc/77/89/46/1033778946.db2.gz HIWSWCLEJZGGTF-LPHOPBHVSA-N 1 1 300.446 3.938 20 30 DHEDMO CC1(C#N)CCC([NH+]2CCN(CC3CCCCC3)CC2)CC1 ZINC001173592159 1033781718 /nfs/dbraw/zinc/78/17/18/1033781718.db2.gz ILRMXYNVMRRNTO-UHFFFAOYSA-N 1 1 303.494 3.657 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001173597812 1033784314 /nfs/dbraw/zinc/78/43/14/1033784314.db2.gz JCGROZBTIFXDMU-SYYJFZTOSA-N 1 1 323.440 3.874 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](C2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001173682336 1033818574 /nfs/dbraw/zinc/81/85/74/1033818574.db2.gz WYEPAPYJPHUFLH-BZUAXINKSA-N 1 1 320.477 3.508 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173657291 1033827460 /nfs/dbraw/zinc/82/74/60/1033827460.db2.gz JCZUPPMVLBSELA-QZTJIDSGSA-N 1 1 301.430 3.797 20 30 DHEDMO COc1ccc(C[NH2+][C@H](C)CC#N)cc1SC(F)(F)F ZINC000878817909 1033836021 /nfs/dbraw/zinc/83/60/21/1033836021.db2.gz YKABQSSZYZBXOZ-SECBINFHSA-N 1 1 304.337 3.699 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000862442511 1033855445 /nfs/dbraw/zinc/85/54/45/1033855445.db2.gz DAZZGXJXHHWTIF-ZDUSSCGKSA-N 1 1 300.402 3.794 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878886695 1033856832 /nfs/dbraw/zinc/85/68/32/1033856832.db2.gz NTMQEKLWIDPRHO-IAQYHMDHSA-N 1 1 313.228 3.652 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC000878886695 1033856848 /nfs/dbraw/zinc/85/68/48/1033856848.db2.gz NTMQEKLWIDPRHO-IAQYHMDHSA-N 1 1 313.228 3.652 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC000862442510 1033857036 /nfs/dbraw/zinc/85/70/36/1033857036.db2.gz DAZZGXJXHHWTIF-CYBMUJFWSA-N 1 1 300.402 3.794 20 30 DHEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000862445037 1033858087 /nfs/dbraw/zinc/85/80/87/1033858087.db2.gz KATDUHPOHIFPLE-SNVBAGLBSA-N 1 1 302.727 3.599 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000862445037 1033858107 /nfs/dbraw/zinc/85/81/07/1033858107.db2.gz KATDUHPOHIFPLE-SNVBAGLBSA-N 1 1 302.727 3.599 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000862446533 1033859399 /nfs/dbraw/zinc/85/93/99/1033859399.db2.gz ACXAFXDPEQEDIO-KRWDZBQOSA-N 1 1 305.425 3.695 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000862445260 1033860080 /nfs/dbraw/zinc/86/00/80/1033860080.db2.gz PFTVHVVNWPSCMX-AWEZNQCLSA-N 1 1 310.353 3.700 20 30 DHEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000878951390 1033876397 /nfs/dbraw/zinc/87/63/97/1033876397.db2.gz JWIYUQKOWSOZAU-PBHICJAKSA-N 1 1 320.502 3.850 20 30 DHEDMO Cc1cc(C[N@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)ccc1C#N ZINC000553944272 1033900929 /nfs/dbraw/zinc/90/09/29/1033900929.db2.gz QMBLECUPYGOMPB-ROUUACIJSA-N 1 1 322.452 3.853 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCC2(CCCCC2)C1 ZINC000554077931 1033954495 /nfs/dbraw/zinc/95/44/95/1033954495.db2.gz YIRQGQQPPLKYGH-KRWDZBQOSA-N 1 1 304.478 3.622 20 30 DHEDMO C[C@@H](c1nc2ccccc2o1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879432683 1034015772 /nfs/dbraw/zinc/01/57/72/1034015772.db2.gz FJOMWWUDFAMEQN-AWEZNQCLSA-N 1 1 305.381 3.935 20 30 DHEDMO CC1(C)[C@@H](c2ccccc2F)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000879640079 1034067086 /nfs/dbraw/zinc/06/70/86/1034067086.db2.gz FQKQLWGOWCOWSN-CQSZACIVSA-N 1 1 315.417 3.922 20 30 DHEDMO CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000879640079 1034067101 /nfs/dbraw/zinc/06/71/01/1034067101.db2.gz FQKQLWGOWCOWSN-CQSZACIVSA-N 1 1 315.417 3.922 20 30 DHEDMO CN1c2ccccc2C(C)(C)/C1=C\C(=O)Cn1cc[nH+]c1C1CC1 ZINC000863385225 1034081519 /nfs/dbraw/zinc/08/15/19/1034081519.db2.gz CKSCKYPCTMOKNX-LDADJPATSA-N 1 1 321.424 3.641 20 30 DHEDMO CN1c2ccccc2C(C)(C)/C1=C/C(=O)Cn1cc[nH+]c1C1CC1 ZINC000863385226 1034082142 /nfs/dbraw/zinc/08/21/42/1034082142.db2.gz CKSCKYPCTMOKNX-PDGQHHTCSA-N 1 1 321.424 3.641 20 30 DHEDMO COc1ccccc1[C@@H]1CCC[N@@H+](Cc2ccncc2C#N)CC1 ZINC000879731688 1034101501 /nfs/dbraw/zinc/10/15/01/1034101501.db2.gz MSVLCMCTWIXFMC-MRXNPFEDSA-N 1 1 321.424 3.732 20 30 DHEDMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CC[C@H](C(F)(F)F)O1 ZINC000880066525 1034201373 /nfs/dbraw/zinc/20/13/73/1034201373.db2.gz HUXMVTNNHZWNOS-QWHCGFSZSA-N 1 1 306.372 3.748 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880059863 1034196916 /nfs/dbraw/zinc/19/69/16/1034196916.db2.gz KICWEQMBGPOGOP-XUJVJEKNSA-N 1 1 312.335 3.661 20 30 DHEDMO C#CC(C)(C)[N@@H+](C)CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000794579036 1034224440 /nfs/dbraw/zinc/22/44/40/1034224440.db2.gz QAQBLYIZJDSGML-UHFFFAOYSA-N 1 1 300.446 3.674 20 30 DHEDMO CC(C)([NH2+]Cc1ccncc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000880385919 1034317041 /nfs/dbraw/zinc/31/70/41/1034317041.db2.gz ZCZQQPAOPAOIDT-UHFFFAOYSA-N 1 1 319.330 3.997 20 30 DHEDMO CC(C)n1ncc(C#N)c1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174394834 1034317963 /nfs/dbraw/zinc/31/79/63/1034317963.db2.gz NTVLSBRRVCJGQQ-UHFFFAOYSA-N 1 1 321.428 3.537 20 30 DHEDMO CC(C)(C)OCCC[NH+]1CCN(CCCCC(C)(C)C#N)CC1 ZINC000880415359 1034327888 /nfs/dbraw/zinc/32/78/88/1034327888.db2.gz LCGHZVCLBZTUHF-UHFFFAOYSA-N 1 1 323.525 3.529 20 30 DHEDMO C=CCC(CC=C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181556007 1034348107 /nfs/dbraw/zinc/34/81/07/1034348107.db2.gz LBALNHYVJVAIFB-NVXWUHKLSA-N 1 1 304.478 3.524 20 30 DHEDMO C=C(C)[C@H](N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000480660098 1034373336 /nfs/dbraw/zinc/37/33/36/1034373336.db2.gz OHJBISFFLNUFLX-PJSAGSTRSA-N 1 1 306.400 3.654 20 30 DHEDMO C=C(C)[C@H](N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000480660098 1034373354 /nfs/dbraw/zinc/37/33/54/1034373354.db2.gz OHJBISFFLNUFLX-PJSAGSTRSA-N 1 1 306.400 3.654 20 30 DHEDMO C[C@H](C[N@@H+](C)CCCOc1cccc(C#N)c1)c1nccs1 ZINC000183936420 1034430037 /nfs/dbraw/zinc/43/00/37/1034430037.db2.gz ZDEZIZNOGHOZKO-CQSZACIVSA-N 1 1 315.442 3.519 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(C)(C)O1 ZINC000480782753 1034442781 /nfs/dbraw/zinc/44/27/81/1034442781.db2.gz XOGVUZJENKKBPK-INIZCTEOSA-N 1 1 304.390 3.540 20 30 DHEDMO Cn1ccc2ccc(Nc3sc4c(c3C#N)CC[N@H+](C)C4)cc21 ZINC001174514919 1034472224 /nfs/dbraw/zinc/47/22/24/1034472224.db2.gz IOFMWYRNSSCHLT-UHFFFAOYSA-N 1 1 322.437 3.843 20 30 DHEDMO CC(C)OC(=O)C[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000184494932 1034482496 /nfs/dbraw/zinc/48/24/96/1034482496.db2.gz QFCSHPLSHCEFMB-RDJZCZTQSA-N 1 1 314.429 3.673 20 30 DHEDMO C[N@@H+](Cc1cccc(O)c1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000555093536 1034496422 /nfs/dbraw/zinc/49/64/22/1034496422.db2.gz TXMFAEDHAYTPIN-UHFFFAOYSA-N 1 1 320.314 3.915 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC001174593421 1034496623 /nfs/dbraw/zinc/49/66/23/1034496623.db2.gz VBVAHMLSLJEWIC-IAGOWNOFSA-N 1 1 323.864 3.819 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1C[C@H](c2cccc(Cl)c2)OCC1(C)C ZINC001174593421 1034496634 /nfs/dbraw/zinc/49/66/34/1034496634.db2.gz VBVAHMLSLJEWIC-IAGOWNOFSA-N 1 1 323.864 3.819 20 30 DHEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C#N)cc1Br ZINC000481116941 1034589990 /nfs/dbraw/zinc/58/99/90/1034589990.db2.gz MXJKVPDELXQQCW-RISCZKNCSA-N 1 1 307.235 3.941 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccn(C3CCCC3)n2)cc1 ZINC000129032232 1034601309 /nfs/dbraw/zinc/60/13/09/1034601309.db2.gz FWMNCFBUFLMRCH-OAHLLOKOSA-N 1 1 324.428 3.579 20 30 DHEDMO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)o1 ZINC000865417896 1034637351 /nfs/dbraw/zinc/63/73/51/1034637351.db2.gz BFBGLLQPXZZORY-GUYCJALGSA-N 1 1 309.413 3.630 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000481271897 1034707760 /nfs/dbraw/zinc/70/77/60/1034707760.db2.gz UIVMJHRAHNHVKZ-LJQANCHMSA-N 1 1 300.446 3.542 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000481289471 1034711757 /nfs/dbraw/zinc/71/17/57/1034711757.db2.gz UUUGZDRXDZNSHW-CQSZACIVSA-N 1 1 313.228 3.607 20 30 DHEDMO C#CCCCCCC[N@H+](CC)[C@H]1CCN(CC(F)(F)F)C1 ZINC001174965563 1034714038 /nfs/dbraw/zinc/71/40/38/1034714038.db2.gz NDUWXTNNUXYPIF-HNNXBMFYSA-N 1 1 304.400 3.529 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc2n[nH]cc21 ZINC000600121507 1034750009 /nfs/dbraw/zinc/75/00/09/1034750009.db2.gz VLXMCAREKSQEGW-YLJYHZDGSA-N 1 1 316.408 3.835 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000600190481 1034798686 /nfs/dbraw/zinc/79/86/86/1034798686.db2.gz QGUHOPFISHXUTB-MSOLQXFVSA-N 1 1 316.470 3.839 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](Cc1scnc1C1CC1)C2 ZINC000600213529 1034808032 /nfs/dbraw/zinc/80/80/32/1034808032.db2.gz VUNBEVKEAWXJDU-UHFFFAOYSA-N 1 1 309.438 3.645 20 30 DHEDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600213336 1034814142 /nfs/dbraw/zinc/81/41/42/1034814142.db2.gz TVLKCXRWNBCDDM-UHFFFAOYSA-N 1 1 321.380 3.528 20 30 DHEDMO CC(C)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CCC1 ZINC000193207960 1034834590 /nfs/dbraw/zinc/83/45/90/1034834590.db2.gz OMEBWTBKHYTXTO-UHFFFAOYSA-N 1 1 310.401 3.619 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC001175531924 1035029028 /nfs/dbraw/zinc/02/90/28/1035029028.db2.gz NDTUKAKRZVHKKO-UHFFFAOYSA-N 1 1 303.409 3.721 20 30 DHEDMO C=CC[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000757924053 1035034907 /nfs/dbraw/zinc/03/49/07/1035034907.db2.gz VBITWAYTIIELDZ-UHFFFAOYSA-N 1 1 315.417 3.736 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000160063920 1035129935 /nfs/dbraw/zinc/12/99/35/1035129935.db2.gz ADZACMGTBJKFOO-GFCCVEGCSA-N 1 1 315.442 3.833 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000160063920 1035129938 /nfs/dbraw/zinc/12/99/38/1035129938.db2.gz ADZACMGTBJKFOO-GFCCVEGCSA-N 1 1 315.442 3.833 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000160380671 1035180379 /nfs/dbraw/zinc/18/03/79/1035180379.db2.gz RJWCWOXLKWCHFV-FQEVSTJZSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000160380671 1035180381 /nfs/dbraw/zinc/18/03/81/1035180381.db2.gz RJWCWOXLKWCHFV-FQEVSTJZSA-N 1 1 324.399 3.569 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000482904185 1035195735 /nfs/dbraw/zinc/19/57/35/1035195735.db2.gz PFZTVTGCXCENBD-GOSISDBHSA-N 1 1 318.436 3.777 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000482904185 1035195736 /nfs/dbraw/zinc/19/57/36/1035195736.db2.gz PFZTVTGCXCENBD-GOSISDBHSA-N 1 1 318.436 3.777 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000483117269 1035229229 /nfs/dbraw/zinc/22/92/29/1035229229.db2.gz GKNWAGIUEZMFGC-KRWDZBQOSA-N 1 1 310.372 3.566 20 30 DHEDMO C[N@@H+](Cc1ccc(OCC2CC2)cc1)Cc1cccc(C#N)c1 ZINC000483178306 1035236888 /nfs/dbraw/zinc/23/68/88/1035236888.db2.gz RAECJHWVLMZKTE-UHFFFAOYSA-N 1 1 306.409 3.979 20 30 DHEDMO CC(C)(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000483228248 1035241426 /nfs/dbraw/zinc/24/14/26/1035241426.db2.gz CKZVROOZRQHKDG-INIZCTEOSA-N 1 1 313.445 3.645 20 30 DHEDMO CCC[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H]1CCc2ccccc2C1 ZINC000483268318 1035249135 /nfs/dbraw/zinc/24/91/35/1035249135.db2.gz OBTBZVBBNAXEIR-LJQANCHMSA-N 1 1 307.441 3.666 20 30 DHEDMO C[N@@H+](CCOc1ccc(Cl)c(F)c1)Cc1ccc(C#N)cc1 ZINC000483514470 1035275476 /nfs/dbraw/zinc/27/54/76/1035275476.db2.gz JPHKUCQPUSPRLE-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C(#Cc1ccccc1)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000483543319 1035276865 /nfs/dbraw/zinc/27/68/65/1035276865.db2.gz LHJMKJFHFAZQQR-GOSISDBHSA-N 1 1 311.450 3.781 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000483543319 1035276871 /nfs/dbraw/zinc/27/68/71/1035276871.db2.gz LHJMKJFHFAZQQR-GOSISDBHSA-N 1 1 311.450 3.781 20 30 DHEDMO C[N@@H+](CC#Cc1ccccc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000483960583 1035310754 /nfs/dbraw/zinc/31/07/54/1035310754.db2.gz NXBKFVRLTLMNLH-OAQYLSRUSA-N 1 1 304.437 3.639 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC001176787782 1035328094 /nfs/dbraw/zinc/32/80/94/1035328094.db2.gz LEYYAQYBNNEPGX-UHFFFAOYSA-N 1 1 316.445 3.729 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)c1 ZINC001176926059 1035335915 /nfs/dbraw/zinc/33/59/15/1035335915.db2.gz GXJFCBXUMXQTES-SJORKVTESA-N 1 1 304.821 3.745 20 30 DHEDMO CC(C)c1[nH+]ccn1CC(=O)N(O)Cc1cccc2ccccc21 ZINC000904173210 1035381581 /nfs/dbraw/zinc/38/15/81/1035381581.db2.gz PKBITISZRCQTMO-UHFFFAOYSA-N 1 1 323.396 3.578 20 30 DHEDMO C=CC[N@@H+](CCOC)CCOc1c(Cl)cccc1Cl ZINC000484692328 1035388911 /nfs/dbraw/zinc/38/89/11/1035388911.db2.gz WLBBLMSBZHJCEQ-UHFFFAOYSA-N 1 1 304.217 3.507 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(CSC)cc2)no1 ZINC000904572691 1035431096 /nfs/dbraw/zinc/43/10/96/1035431096.db2.gz NLLSIFRXIGVKNM-AWEZNQCLSA-N 1 1 303.431 3.956 20 30 DHEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000484983822 1035445831 /nfs/dbraw/zinc/44/58/31/1035445831.db2.gz BZUGJEGBWLJIQP-UHFFFAOYSA-N 1 1 310.825 3.575 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H]2CSc3ccccc32)no1 ZINC000904728998 1035449325 /nfs/dbraw/zinc/44/93/25/1035449325.db2.gz UXSNCSLBZUBMJG-QWHCGFSZSA-N 1 1 301.415 3.663 20 30 DHEDMO C#Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c(Cl)c1 ZINC001179656141 1035487406 /nfs/dbraw/zinc/48/74/06/1035487406.db2.gz OBLCROQVIXQASP-QGZVFWFLSA-N 1 1 316.832 3.667 20 30 DHEDMO CCCCCCC[C@H](C)NC(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001192938468 1035520428 /nfs/dbraw/zinc/52/04/28/1035520428.db2.gz RAENYYKALIQMEK-DLBZAZTESA-N 1 1 311.514 3.860 20 30 DHEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCCC[C@@H]2c2ccccc2)c1 ZINC001193053657 1035558054 /nfs/dbraw/zinc/55/80/54/1035558054.db2.gz HBVJMRJOXZONNM-UXHICEINSA-N 1 1 306.409 3.819 20 30 DHEDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1)Cc1cccc(C#N)n1 ZINC001180240261 1035631296 /nfs/dbraw/zinc/63/12/96/1035631296.db2.gz VRDDDBSWMCZXNN-UHFFFAOYSA-N 1 1 306.196 3.892 20 30 DHEDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1)Cc1cccc(C#N)n1 ZINC001180240261 1035631302 /nfs/dbraw/zinc/63/13/02/1035631302.db2.gz VRDDDBSWMCZXNN-UHFFFAOYSA-N 1 1 306.196 3.892 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2c(F)cncc2Br)C1 ZINC000668494154 1035668511 /nfs/dbraw/zinc/66/85/11/1035668511.db2.gz WOOVKSALQIMWHV-NSHDSACASA-N 1 1 313.214 3.771 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+](Cc2c(F)cncc2Br)C1 ZINC000668494154 1035668489 /nfs/dbraw/zinc/66/84/89/1035668489.db2.gz WOOVKSALQIMWHV-NSHDSACASA-N 1 1 313.214 3.771 20 30 DHEDMO CCc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)nc1 ZINC000569006943 1035713511 /nfs/dbraw/zinc/71/35/11/1035713511.db2.gz QJEWNIVFHOVSLP-WOJBJXKFSA-N 1 1 305.425 3.916 20 30 DHEDMO CCc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)nc1 ZINC000569006943 1035713524 /nfs/dbraw/zinc/71/35/24/1035713524.db2.gz QJEWNIVFHOVSLP-WOJBJXKFSA-N 1 1 305.425 3.916 20 30 DHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000494608195 1035730075 /nfs/dbraw/zinc/73/00/75/1035730075.db2.gz QCFFPMISMKQGBS-HUUCEWRRSA-N 1 1 323.481 3.551 20 30 DHEDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001193807293 1035741773 /nfs/dbraw/zinc/74/17/73/1035741773.db2.gz KFZGCCIJIYSNBK-OAHLLOKOSA-N 1 1 301.390 3.725 20 30 DHEDMO C#CCOCC[N@@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC001193881671 1035748210 /nfs/dbraw/zinc/74/82/10/1035748210.db2.gz RSPDMAJHSARTNJ-MRXNPFEDSA-N 1 1 322.246 3.544 20 30 DHEDMO C[C@H](NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000539498739 1035758183 /nfs/dbraw/zinc/75/81/83/1035758183.db2.gz WCSDZSQNMCJLNQ-BBWFWOEESA-N 1 1 313.489 3.965 20 30 DHEDMO C[C@H]([NH2+]CC(C)(C)N1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000539498739 1035758198 /nfs/dbraw/zinc/75/81/98/1035758198.db2.gz WCSDZSQNMCJLNQ-BBWFWOEESA-N 1 1 313.489 3.965 20 30 DHEDMO C#C[C@H](C)N(C)C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001193919561 1035772262 /nfs/dbraw/zinc/77/22/62/1035772262.db2.gz BFQHRIBLRXHPJX-SIKLNZKXSA-N 1 1 320.480 3.856 20 30 DHEDMO CCCCCCCOC(=O)Nc1cnc2c(c1)C[N@H+](C)CC2 ZINC001193994065 1035811813 /nfs/dbraw/zinc/81/18/13/1035811813.db2.gz KYDXRLWAQICFFX-UHFFFAOYSA-N 1 1 305.422 3.588 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000494713731 1035812591 /nfs/dbraw/zinc/81/25/91/1035812591.db2.gz YIAQLWXLMJSJKH-GOSISDBHSA-N 1 1 303.833 3.583 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC001194051939 1035816418 /nfs/dbraw/zinc/81/64/18/1035816418.db2.gz MJSMFXYWSOMGDC-GOSISDBHSA-N 1 1 309.409 3.905 20 30 DHEDMO CCCCCCC[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001181120419 1035842720 /nfs/dbraw/zinc/84/27/20/1035842720.db2.gz APXFNDHJSBDIRD-KRWDZBQOSA-N 1 1 320.521 3.927 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001194152608 1035846098 /nfs/dbraw/zinc/84/60/98/1035846098.db2.gz FCFGIGFVKTZYPC-UIAACRFSSA-N 1 1 306.409 3.675 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1CC2CCC1CC2 ZINC001194251883 1035889514 /nfs/dbraw/zinc/88/95/14/1035889514.db2.gz TXAZEJLLEYATMJ-OFLPRAFFSA-N 1 1 303.446 3.976 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000540057417 1035960982 /nfs/dbraw/zinc/96/09/82/1035960982.db2.gz OTWVQYMTQHVKFS-OAHLLOKOSA-N 1 1 308.425 3.667 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000540057417 1035960991 /nfs/dbraw/zinc/96/09/91/1035960991.db2.gz OTWVQYMTQHVKFS-OAHLLOKOSA-N 1 1 308.425 3.667 20 30 DHEDMO CC[N@@H+](Cc1c(C)cc(C#N)cc1C)[C@H]1CCOC(C)(C)C1 ZINC001194782427 1036019875 /nfs/dbraw/zinc/01/98/75/1036019875.db2.gz RITMNBDHVJGOET-KRWDZBQOSA-N 1 1 300.446 3.955 20 30 DHEDMO Cc1cccc(C)c1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761757999 1036088685 /nfs/dbraw/zinc/08/86/85/1036088685.db2.gz OMNFWRVZAFZULU-FQEVSTJZSA-N 1 1 306.409 3.749 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](CCCc3ccccc3)CCO2)c1 ZINC000761757859 1036089171 /nfs/dbraw/zinc/08/91/71/1036089171.db2.gz OIYLNWDRYZIMRI-FQEVSTJZSA-N 1 1 306.409 3.564 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](CCCc3ccccc3)CCO2)c1 ZINC000761757859 1036089193 /nfs/dbraw/zinc/08/91/93/1036089193.db2.gz OIYLNWDRYZIMRI-FQEVSTJZSA-N 1 1 306.409 3.564 20 30 DHEDMO CCc1ccc(CC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000761758804 1036096573 /nfs/dbraw/zinc/09/65/73/1036096573.db2.gz AVJKXJIQZYZJEB-OAQYLSRUSA-N 1 1 320.436 3.737 20 30 DHEDMO CCc1ccc(CC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000761758804 1036096593 /nfs/dbraw/zinc/09/65/93/1036096593.db2.gz AVJKXJIQZYZJEB-OAQYLSRUSA-N 1 1 320.436 3.737 20 30 DHEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(OCc2cccnc2)cc1 ZINC000540589420 1036111743 /nfs/dbraw/zinc/11/17/43/1036111743.db2.gz WBNXTDNMYLCAGN-OAHLLOKOSA-N 1 1 307.397 3.615 20 30 DHEDMO Cc1ccccc1CCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761767442 1036113721 /nfs/dbraw/zinc/11/37/21/1036113721.db2.gz YNEJAKBOPUFALV-OAQYLSRUSA-N 1 1 320.436 3.873 20 30 DHEDMO Cc1ccccc1CCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000761767442 1036113727 /nfs/dbraw/zinc/11/37/27/1036113727.db2.gz YNEJAKBOPUFALV-OAQYLSRUSA-N 1 1 320.436 3.873 20 30 DHEDMO CCCC[N@@H+](CC)[C@H](C(=O)NCC(C)(C)S)c1ccccc1 ZINC001182233956 1036138765 /nfs/dbraw/zinc/13/87/65/1036138765.db2.gz AJIOZYBXCKUUGV-INIZCTEOSA-N 1 1 322.518 3.674 20 30 DHEDMO CCCC[N@@H+](CC)[C@H](C(=O)Nc1[nH]ccc1C#N)c1ccccc1 ZINC001182232484 1036139426 /nfs/dbraw/zinc/13/94/26/1036139426.db2.gz NQILCMKEGYRPGU-KRWDZBQOSA-N 1 1 324.428 3.688 20 30 DHEDMO C=CCC[C@@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000495010573 1036182657 /nfs/dbraw/zinc/18/26/57/1036182657.db2.gz XRXGCQSQXUEMRC-IEBWSBKVSA-N 1 1 314.473 3.585 20 30 DHEDMO COC(=O)[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC001195366645 1036230802 /nfs/dbraw/zinc/23/08/02/1036230802.db2.gz BYPBEYCIQOTTSZ-BMGDILEWSA-N 1 1 314.429 3.530 20 30 DHEDMO C=CC[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000495121716 1036273534 /nfs/dbraw/zinc/27/35/34/1036273534.db2.gz WKYUHPBRQPRQGA-IBGZPJMESA-N 1 1 314.473 3.727 20 30 DHEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000541274287 1036282894 /nfs/dbraw/zinc/28/28/94/1036282894.db2.gz RGOBWGTXFHOMQT-HXUWFJFHSA-N 1 1 320.436 3.968 20 30 DHEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784512914 1036294367 /nfs/dbraw/zinc/29/43/67/1036294367.db2.gz WAEDSQNPMUCEDT-ARFHVFGLSA-N 1 1 308.466 3.578 20 30 DHEDMO CC(C)[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)CC1CCC1 ZINC000193203785 1036304780 /nfs/dbraw/zinc/30/47/80/1036304780.db2.gz XHSFWEAMUOTTBY-UHFFFAOYSA-N 1 1 319.836 3.661 20 30 DHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000495186144 1036323881 /nfs/dbraw/zinc/32/38/81/1036323881.db2.gz CYROFKPXVNSUIZ-GJZGRUSLSA-N 1 1 323.481 3.551 20 30 DHEDMO Cc1cc(C[N@H+]2C[C@H](c3ccccc3)OC[C@H]2C)ccc1C#N ZINC000487859705 1036339260 /nfs/dbraw/zinc/33/92/60/1036339260.db2.gz MCEIURXXUDRPHW-OXQOHEQNSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1cc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)ccc1C#N ZINC000487859705 1036339262 /nfs/dbraw/zinc/33/92/62/1036339262.db2.gz MCEIURXXUDRPHW-OXQOHEQNSA-N 1 1 306.409 3.829 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)c(C)c1)Cc1ccc(OC)cc1OC ZINC000486695074 1036355508 /nfs/dbraw/zinc/35/55/08/1036355508.db2.gz FVCQFNQOMOSTHF-UHFFFAOYSA-N 1 1 324.424 3.906 20 30 DHEDMO C[N@@H+](Cc1cccc(F)c1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC001195876242 1036373602 /nfs/dbraw/zinc/37/36/02/1036373602.db2.gz HIGMZBAJXGJZHS-MRXNPFEDSA-N 1 1 318.779 3.516 20 30 DHEDMO C[N@H+](Cc1cccc(F)c1Cl)C[C@@H](O)c1cccc(C#N)c1 ZINC001195876242 1036373625 /nfs/dbraw/zinc/37/36/25/1036373625.db2.gz HIGMZBAJXGJZHS-MRXNPFEDSA-N 1 1 318.779 3.516 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC001195946704 1036402044 /nfs/dbraw/zinc/40/20/44/1036402044.db2.gz MMYDVVUCGYLTLY-WMLDXEAASA-N 1 1 318.848 3.733 20 30 DHEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000486810587 1036418439 /nfs/dbraw/zinc/41/84/39/1036418439.db2.gz RWASJZZHUVGDNG-UHFFFAOYSA-N 1 1 314.473 3.889 20 30 DHEDMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H](C)C#N)o1 ZINC000541764008 1036422191 /nfs/dbraw/zinc/42/21/91/1036422191.db2.gz JLHKJPLCFNMVOL-AWEZNQCLSA-N 1 1 320.396 3.690 20 30 DHEDMO CC(C)C1CCC(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001182765724 1036451309 /nfs/dbraw/zinc/45/13/09/1036451309.db2.gz VXDAROXEGQYGNQ-NLPFYKDJSA-N 1 1 314.473 3.986 20 30 DHEDMO COc1cccc([C@@]2(C)CC[N@H+](Cc3cccc(F)c3C#N)C2)c1 ZINC001182902587 1036481237 /nfs/dbraw/zinc/48/12/37/1036481237.db2.gz NYSPRDHQONTOKU-FQEVSTJZSA-N 1 1 324.399 3.870 20 30 DHEDMO COc1cccc([C@@]2(C)CC[N@@H+](Cc3cccc(F)c3C#N)C2)c1 ZINC001182902587 1036481241 /nfs/dbraw/zinc/48/12/41/1036481241.db2.gz NYSPRDHQONTOKU-FQEVSTJZSA-N 1 1 324.399 3.870 20 30 DHEDMO Cc1ccc(N2CCC[N@@H+](Cc3cccc(C#N)c3F)CC2)cc1 ZINC000774563355 1036486367 /nfs/dbraw/zinc/48/63/67/1036486367.db2.gz DJQRZDMWYXGCJQ-UHFFFAOYSA-N 1 1 323.415 3.718 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](CCc1ccccc1)C(=O)OCC ZINC001196328457 1036505678 /nfs/dbraw/zinc/50/56/78/1036505678.db2.gz AGFLKOKAGFWOCG-CEXWTWQISA-N 1 1 313.441 3.734 20 30 DHEDMO C#CCC[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC001196367638 1036511823 /nfs/dbraw/zinc/51/18/23/1036511823.db2.gz NZJOOJJWAGZYTL-CQSZACIVSA-N 1 1 310.260 3.639 20 30 DHEDMO C#CCC[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC001196367637 1036513710 /nfs/dbraw/zinc/51/37/10/1036513710.db2.gz NZJOOJJWAGZYTL-AWEZNQCLSA-N 1 1 310.260 3.639 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc(C)cc(C)c1 ZINC000491369862 1036562379 /nfs/dbraw/zinc/56/23/79/1036562379.db2.gz XDMQMHLPIPLHON-UHFFFAOYSA-N 1 1 312.413 3.566 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc(C)cc(C)c1 ZINC000491369862 1036562390 /nfs/dbraw/zinc/56/23/90/1036562390.db2.gz XDMQMHLPIPLHON-UHFFFAOYSA-N 1 1 312.413 3.566 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)C[C@H]1CCCCN1Cc1ccccc1 ZINC001183463475 1036597941 /nfs/dbraw/zinc/59/79/41/1036597941.db2.gz HINKRUYIPSTOLN-UYAOXDASSA-N 1 1 313.489 3.913 20 30 DHEDMO C=CC[NH+](CC=C)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000303577784 1036599373 /nfs/dbraw/zinc/59/93/73/1036599373.db2.gz CZHKILQZKZKCIU-UHFFFAOYSA-N 1 1 318.436 3.627 20 30 DHEDMO C[N@H+](Cc1cc(C#N)ccc1F)Cc1cccc2cccnc21 ZINC000030207751 1036629563 /nfs/dbraw/zinc/62/95/63/1036629563.db2.gz YYAOBNHRJSUSDW-UHFFFAOYSA-N 1 1 305.356 3.878 20 30 DHEDMO C[N@@H+](Cc1cc(C#N)ccc1F)Cc1cccc2cccnc21 ZINC000030207751 1036629580 /nfs/dbraw/zinc/62/95/80/1036629580.db2.gz YYAOBNHRJSUSDW-UHFFFAOYSA-N 1 1 305.356 3.878 20 30 DHEDMO Cc1ccc(F)cc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000491857395 1036659611 /nfs/dbraw/zinc/65/96/11/1036659611.db2.gz VATIJLWYGHMDJF-HXUWFJFHSA-N 1 1 323.415 3.517 20 30 DHEDMO CCCCCCCC[C@H]1C[C@H]1C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C ZINC001273737096 1036688756 /nfs/dbraw/zinc/68/87/56/1036688756.db2.gz AXJCADHCNZJCKB-MHORFTMASA-N 1 1 306.494 3.678 20 30 DHEDMO C=CCCC[N@H+](CC)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC001184189748 1036754529 /nfs/dbraw/zinc/75/45/29/1036754529.db2.gz ZKXPKVQRZIKBBC-GOSISDBHSA-N 1 1 310.482 3.922 20 30 DHEDMO C[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)[N@H+]1CCCC[C@H]1C ZINC000915271133 1036756043 /nfs/dbraw/zinc/75/60/43/1036756043.db2.gz LBCLZQLDPBXZOL-YXMNAMGYSA-N 1 1 311.429 3.622 20 30 DHEDMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000495771571 1036909959 /nfs/dbraw/zinc/90/99/59/1036909959.db2.gz TUGVZFSMGMHLPG-HNNXBMFYSA-N 1 1 323.481 3.696 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2C3CCC2(CO)CC3)cc1 ZINC001198011177 1036926851 /nfs/dbraw/zinc/92/68/51/1036926851.db2.gz RIHOZGWVAHKNHG-UHFFFAOYSA-N 1 1 318.420 3.715 20 30 DHEDMO C[N@@H+](CCOc1ccc(F)c(Cl)c1)Cc1cc(C#N)cs1 ZINC001198194527 1036975349 /nfs/dbraw/zinc/97/53/49/1036975349.db2.gz GQCDRQVOWVLYLG-UHFFFAOYSA-N 1 1 324.808 3.923 20 30 DHEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C)cc(C)cc1C ZINC001198407568 1037014187 /nfs/dbraw/zinc/01/41/87/1037014187.db2.gz WLKFPNLVGXVCOU-QGZVFWFLSA-N 1 1 300.446 3.981 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)cc1 ZINC000780400249 1037121091 /nfs/dbraw/zinc/12/10/91/1037121091.db2.gz UNKCKSNWJXNQSU-JOUZLBOKSA-N 1 1 318.420 3.769 20 30 DHEDMO C[C@H]1CN(c2ccc(C#N)c(Cl)c2)CC[N@H+](C2CCC2)C1 ZINC000488734279 1037121277 /nfs/dbraw/zinc/12/12/77/1037121277.db2.gz LSBBJNWHLRDHDA-CYBMUJFWSA-N 1 1 303.837 3.522 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)c(C)c2)o1 ZINC000488002381 1037123577 /nfs/dbraw/zinc/12/35/77/1037123577.db2.gz NSBNRUPBYXIYBR-SFHVURJKSA-N 1 1 310.397 3.943 20 30 DHEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000489026072 1037236042 /nfs/dbraw/zinc/23/60/42/1037236042.db2.gz XYIKSHWREZCYIF-HXUWFJFHSA-N 1 1 308.425 3.556 20 30 DHEDMO Cc1ccccc1OCC[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000121534916 1037280724 /nfs/dbraw/zinc/28/07/24/1037280724.db2.gz ANNLUQWFLPSCOU-QGZVFWFLSA-N 1 1 324.424 3.797 20 30 DHEDMO C[C@@H]1C[C@H](C[N@@H+](C)CC(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC000496136079 1037425480 /nfs/dbraw/zinc/42/54/80/1037425480.db2.gz YEAZTGODWAYOCF-HUUCEWRRSA-N 1 1 323.481 3.504 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000489486097 1037461156 /nfs/dbraw/zinc/46/11/56/1037461156.db2.gz IIPQACAUVNVUCN-AWEZNQCLSA-N 1 1 305.219 3.861 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000489486097 1037461162 /nfs/dbraw/zinc/46/11/62/1037461162.db2.gz IIPQACAUVNVUCN-AWEZNQCLSA-N 1 1 305.219 3.861 20 30 DHEDMO C[C@H]1[C@H](Nc2cc(F)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC001186640095 1037462305 /nfs/dbraw/zinc/46/23/05/1037462305.db2.gz XEPQWUUQJNXVTG-KBXCAEBGSA-N 1 1 309.388 3.772 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1SC ZINC000489494000 1037466070 /nfs/dbraw/zinc/46/60/70/1037466070.db2.gz ITZDPCNUGJTMTG-AWEZNQCLSA-N 1 1 304.459 3.778 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCOC(C)(C)[C@H]2C)c1O ZINC000763211511 1037483987 /nfs/dbraw/zinc/48/39/87/1037483987.db2.gz LNNHCCTXTPOWPA-CQSZACIVSA-N 1 1 319.445 3.519 20 30 DHEDMO Cc1ccccc1OCCC[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000489651985 1037499539 /nfs/dbraw/zinc/49/95/39/1037499539.db2.gz VYTKNJZJQVOAAW-UHFFFAOYSA-N 1 1 312.388 3.907 20 30 DHEDMO Cc1ccccc1OCCC[N@H+](C)Cc1ccc(F)cc1C#N ZINC000489651985 1037499558 /nfs/dbraw/zinc/49/95/58/1037499558.db2.gz VYTKNJZJQVOAAW-UHFFFAOYSA-N 1 1 312.388 3.907 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1OC ZINC000150891740 1037524288 /nfs/dbraw/zinc/52/42/88/1037524288.db2.gz ZNYNLMTWWCDZKH-OAHLLOKOSA-N 1 1 304.434 3.700 20 30 DHEDMO C=CCC(C)(C)CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000489858003 1037547899 /nfs/dbraw/zinc/54/78/99/1037547899.db2.gz JVZXQYONOCYWMP-SFHVURJKSA-N 1 1 314.473 3.617 20 30 DHEDMO C=CCC(C)(C)CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000489929295 1037558837 /nfs/dbraw/zinc/55/88/37/1037558837.db2.gz BLXSKTVZSCSDKP-HNNXBMFYSA-N 1 1 308.853 3.661 20 30 DHEDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCCC(C)(C)C#N ZINC000493949278 1037604912 /nfs/dbraw/zinc/60/49/12/1037604912.db2.gz OXUWTGLBAKJCLZ-HUUCEWRRSA-N 1 1 323.481 3.551 20 30 DHEDMO C=CCOC(=O)N1CCC2(CCC[N@H+](CC(C)(C)C)C2)CC1 ZINC001201427291 1037665977 /nfs/dbraw/zinc/66/59/77/1037665977.db2.gz XDLIESDEOYFKLP-UHFFFAOYSA-N 1 1 308.466 3.533 20 30 DHEDMO N#Cc1ccnc(N=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001201469992 1037689002 /nfs/dbraw/zinc/68/90/02/1037689002.db2.gz HVRJLVVJIMRQIB-MOPGFXCFSA-N 1 1 316.408 3.686 20 30 DHEDMO N#Cc1ccnc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001201469992 1037689017 /nfs/dbraw/zinc/68/90/17/1037689017.db2.gz HVRJLVVJIMRQIB-MOPGFXCFSA-N 1 1 316.408 3.686 20 30 DHEDMO N#Cc1ccnc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001201469992 1037689028 /nfs/dbraw/zinc/68/90/28/1037689028.db2.gz HVRJLVVJIMRQIB-MOPGFXCFSA-N 1 1 316.408 3.686 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC[C@H]2CC(C)(C)O2)cc1 ZINC001168460905 1037700267 /nfs/dbraw/zinc/70/02/67/1037700267.db2.gz VFKSAMQTKGZUCW-QZTJIDSGSA-N 1 1 300.446 3.989 20 30 DHEDMO CCCCCCCCCCC[N@H+]1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001201630921 1037800916 /nfs/dbraw/zinc/80/09/16/1037800916.db2.gz HWZDPAVBSPKVGF-GUDVDZBRSA-N 1 1 311.510 3.989 20 30 DHEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC001201610457 1037810036 /nfs/dbraw/zinc/81/00/36/1037810036.db2.gz VYIYMWSTBGARSU-FQEVSTJZSA-N 1 1 306.409 3.644 20 30 DHEDMO CCC[N@H+](Cc1ccc(F)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763396164 1037824978 /nfs/dbraw/zinc/82/49/78/1037824978.db2.gz BZGVYPJMPCAOGA-IBGZPJMESA-N 1 1 312.388 3.643 20 30 DHEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763413279 1037834314 /nfs/dbraw/zinc/83/43/14/1037834314.db2.gz JGVZEOUNXMRQGK-CZAAIQMYSA-N 1 1 320.436 3.545 20 30 DHEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](CCCCCC)C2)C1 ZINC001201743496 1037869867 /nfs/dbraw/zinc/86/98/67/1037869867.db2.gz RESJHXYPNSMVCH-GOSISDBHSA-N 1 1 308.466 3.677 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@H](OCC)[C@@H]1Cc1cnn(C)c1 ZINC001201815129 1037899490 /nfs/dbraw/zinc/89/94/90/1037899490.db2.gz WPXRLDULKVXBPM-OALUTQOASA-N 1 1 321.509 3.803 20 30 DHEDMO CCCCCCCC[N@@H+]1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001201804957 1037900945 /nfs/dbraw/zinc/90/09/45/1037900945.db2.gz WLUPQQALJBLEBJ-SFHVURJKSA-N 1 1 300.446 3.860 20 30 DHEDMO CCCCCCCC[N@H+]1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001201804957 1037900959 /nfs/dbraw/zinc/90/09/59/1037900959.db2.gz WLUPQQALJBLEBJ-SFHVURJKSA-N 1 1 300.446 3.860 20 30 DHEDMO CCCCCCC[N@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC001201776846 1037906080 /nfs/dbraw/zinc/90/60/80/1037906080.db2.gz NXBAJCZNKVNRJN-UHFFFAOYSA-N 1 1 324.472 3.910 20 30 DHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCO[C@@H](C)C1 ZINC000491088567 1037908257 /nfs/dbraw/zinc/90/82/57/1037908257.db2.gz AYEPQLGXTCSMMQ-LPHOPBHVSA-N 1 1 300.446 3.831 20 30 DHEDMO CCCCCCCC[N@@H+]1CCc2onc(C(=O)NC(C)C)c2C1 ZINC001201825594 1037911583 /nfs/dbraw/zinc/91/15/83/1037911583.db2.gz ADFQYSNRLMDYSN-UHFFFAOYSA-N 1 1 321.465 3.531 20 30 DHEDMO CCCCCCCC[N@H+]1CCc2onc(C(=O)NC(C)C)c2C1 ZINC001201825594 1037911613 /nfs/dbraw/zinc/91/16/13/1037911613.db2.gz ADFQYSNRLMDYSN-UHFFFAOYSA-N 1 1 321.465 3.531 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@@H](NC(=O)c2ccncc2)C1 ZINC001201839818 1037917809 /nfs/dbraw/zinc/91/78/09/1037917809.db2.gz KFQKMBGWJSNNMG-GOSISDBHSA-N 1 1 317.477 3.636 20 30 DHEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000775182589 1037930944 /nfs/dbraw/zinc/93/09/44/1037930944.db2.gz DSHYDWAQOVKNEX-CQSZACIVSA-N 1 1 315.438 3.789 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000775183541 1037946676 /nfs/dbraw/zinc/94/66/76/1037946676.db2.gz NVKIPJMNASMPNV-MRXNPFEDSA-N 1 1 304.393 3.591 20 30 DHEDMO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2ccnc(C#N)c2)CC1 ZINC000586775215 1037950083 /nfs/dbraw/zinc/95/00/83/1037950083.db2.gz SQJUODVESJRMED-FQEVSTJZSA-N 1 1 305.425 3.897 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000494232735 1037993965 /nfs/dbraw/zinc/99/39/65/1037993965.db2.gz CIXPNKNVJGKBEL-RZPKCTKSSA-N 1 1 312.457 3.611 20 30 DHEDMO C=CC[N@H+](Cc1cc(OC)c(O)c(OC)c1)CC1CCCCC1 ZINC000571006608 1038066716 /nfs/dbraw/zinc/06/67/16/1038066716.db2.gz VSSDYGYOAQBBEV-UHFFFAOYSA-N 1 1 319.445 3.978 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1CCCC1)[C@@H]2CC ZINC001202160467 1038078886 /nfs/dbraw/zinc/07/88/86/1038078886.db2.gz MBJXIUMDVNWJQD-MJGOQNOKSA-N 1 1 304.478 3.598 20 30 DHEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)CCc1ccccc1 ZINC000917059875 1038143874 /nfs/dbraw/zinc/14/38/74/1038143874.db2.gz OEYINOWCZCAQKQ-UHFFFAOYSA-N 1 1 308.425 3.892 20 30 DHEDMO COc1cc(C[N@@H+](CCC#N)CC2CC2)c(O)c(C(C)(C)C)c1 ZINC000164290156 1038151995 /nfs/dbraw/zinc/15/19/95/1038151995.db2.gz XRHQOXXKYGUELH-UHFFFAOYSA-N 1 1 316.445 3.824 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)C(C)C ZINC000917068755 1038165198 /nfs/dbraw/zinc/16/51/98/1038165198.db2.gz AMCSFVJXXIVCFQ-MRXNPFEDSA-N 1 1 314.473 3.639 20 30 DHEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000571696566 1038179799 /nfs/dbraw/zinc/17/97/99/1038179799.db2.gz APYRBMYFVRUUGT-FQEVSTJZSA-N 1 1 305.425 3.798 20 30 DHEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000571696570 1038181168 /nfs/dbraw/zinc/18/11/68/1038181168.db2.gz APYRBMYFVRUUGT-HXUWFJFHSA-N 1 1 305.425 3.798 20 30 DHEDMO C=CCCC(=O)N(CCC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000588041654 1038215177 /nfs/dbraw/zinc/21/51/77/1038215177.db2.gz BAQBIWQWDOGNQF-IBGZPJMESA-N 1 1 314.473 3.856 20 30 DHEDMO C#C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCO1 ZINC000775343753 1038254363 /nfs/dbraw/zinc/25/43/63/1038254363.db2.gz XWZNXJDXWFIDNI-UONOGXRCSA-N 1 1 317.738 3.629 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000572038979 1038322821 /nfs/dbraw/zinc/32/28/21/1038322821.db2.gz DZEOTSLBHMPBJM-LPHOPBHVSA-N 1 1 305.437 3.797 20 30 DHEDMO CCC[C@H]1CCC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000121381673 1038336433 /nfs/dbraw/zinc/33/64/33/1038336433.db2.gz JMZIEDQMZNGXHI-INIZCTEOSA-N 1 1 323.444 3.595 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)C[C@@H](C)c2ccccc2)cc1 ZINC001190809973 1038381558 /nfs/dbraw/zinc/38/15/58/1038381558.db2.gz NTJQGMAPTNHAAQ-QGZVFWFLSA-N 1 1 320.436 3.732 20 30 DHEDMO COc1ccc(-c2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc2)cc1 ZINC000572465465 1038381573 /nfs/dbraw/zinc/38/15/73/1038381573.db2.gz POMHKKBWAUVVFV-QGZVFWFLSA-N 1 1 319.408 3.895 20 30 DHEDMO CC1(C)C[N@H+](Cc2cccc(C#N)c2F)Cc2ccccc2O1 ZINC000588981065 1038414394 /nfs/dbraw/zinc/41/43/94/1038414394.db2.gz TUQPXEWXQQVBMH-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)Cc2ccccc2O1 ZINC000588981065 1038414398 /nfs/dbraw/zinc/41/43/98/1038414398.db2.gz TUQPXEWXQQVBMH-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1C#N ZINC000588977822 1038415021 /nfs/dbraw/zinc/41/50/21/1038415021.db2.gz ACLDRNMFCGEIPZ-QGZVFWFLSA-N 1 1 320.440 3.674 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](C3CC3)C2)c1C#N ZINC000588977822 1038415026 /nfs/dbraw/zinc/41/50/26/1038415026.db2.gz ACLDRNMFCGEIPZ-QGZVFWFLSA-N 1 1 320.440 3.674 20 30 DHEDMO CC(C)C[C@H]1CCCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC001191113154 1038441722 /nfs/dbraw/zinc/44/17/22/1038441722.db2.gz SFDQNFUYRZOUTO-GOSISDBHSA-N 1 1 313.445 3.787 20 30 DHEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000056492883 1038455128 /nfs/dbraw/zinc/45/51/28/1038455128.db2.gz IZJXUGITACXMTR-MRXNPFEDSA-N 1 1 323.415 3.576 20 30 DHEDMO C[C@H](c1cccc(F)c1)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000056492883 1038455132 /nfs/dbraw/zinc/45/51/32/1038455132.db2.gz IZJXUGITACXMTR-MRXNPFEDSA-N 1 1 323.415 3.576 20 30 DHEDMO Cc1ccc(CN2CC[C@H](C[N@H+](C)[C@@H](C)CCC#N)C2)s1 ZINC000572606566 1038475361 /nfs/dbraw/zinc/47/53/61/1038475361.db2.gz XUZHRVWZLLCPKV-GOEBONIOSA-N 1 1 305.491 3.503 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000589494187 1038486976 /nfs/dbraw/zinc/48/69/76/1038486976.db2.gz HSQYIDLSRADGRE-GFCCVEGCSA-N 1 1 324.409 3.536 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)n1 ZINC000589494187 1038486978 /nfs/dbraw/zinc/48/69/78/1038486978.db2.gz HSQYIDLSRADGRE-GFCCVEGCSA-N 1 1 324.409 3.536 20 30 DHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cncc(C#N)c2)C12CCCCC2 ZINC001191320708 1038489788 /nfs/dbraw/zinc/48/97/88/1038489788.db2.gz VUAIYONYSRAJAR-ZWKOTPCHSA-N 1 1 313.445 3.513 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](O)[C@H](C)c1ccccc1 ZINC001191367084 1038497740 /nfs/dbraw/zinc/49/77/40/1038497740.db2.gz KZUKRNXJXPIERZ-APWZRJJASA-N 1 1 302.462 3.803 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3(C#N)CC3)cc2)C1 ZINC000590158304 1038592730 /nfs/dbraw/zinc/59/27/30/1038592730.db2.gz MNCFZWUUGLRKBP-HNNXBMFYSA-N 1 1 311.429 3.551 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC2(C#N)CC2)cc1 ZINC000590158558 1038593978 /nfs/dbraw/zinc/59/39/78/1038593978.db2.gz PNULNFDGDLAOEN-HNNXBMFYSA-N 1 1 311.429 3.693 20 30 DHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2CCC(C)C)c1C#N ZINC001192158811 1038595015 /nfs/dbraw/zinc/59/50/15/1038595015.db2.gz MQLAKQQMLPGUKU-MRXNPFEDSA-N 1 1 314.429 3.745 20 30 DHEDMO COc1ccc(F)c(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000590188559 1038600268 /nfs/dbraw/zinc/60/02/68/1038600268.db2.gz YHMMSLODQHBROR-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)CC[C@@H]1C ZINC001192261826 1038615538 /nfs/dbraw/zinc/61/55/38/1038615538.db2.gz JQCHYFNMOCMYFF-RYUDHWBXSA-N 1 1 307.235 3.799 20 30 DHEDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000590765558 1038699759 /nfs/dbraw/zinc/69/97/59/1038699759.db2.gz ZCWOWRXVKQDJFI-QGZVFWFLSA-N 1 1 300.446 3.736 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1COc1cccnc1C ZINC000591380741 1038847216 /nfs/dbraw/zinc/84/72/16/1038847216.db2.gz MHAXEGUEZZAXAF-IBGZPJMESA-N 1 1 321.424 3.614 20 30 DHEDMO C=CCc1cc(C[NH2+]Cc2ccc(Cl)o2)cc(OC)c1O ZINC000603509972 1039029017 /nfs/dbraw/zinc/02/90/17/1039029017.db2.gz RXSCVMOJZBTGFZ-UHFFFAOYSA-N 1 1 307.777 3.666 20 30 DHEDMO Cc1[nH]c2nc[nH+]c(N[C@H]3CCc4cc(C#N)ccc43)c2c1C ZINC000591934744 1039050442 /nfs/dbraw/zinc/05/04/42/1039050442.db2.gz BFMQKGNWTPTSTA-HNNXBMFYSA-N 1 1 303.369 3.546 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)cc1OC ZINC000599256759 1039101815 /nfs/dbraw/zinc/10/18/15/1039101815.db2.gz FCMCLFNIRMIKIP-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO Cc1ccc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)cc1C#N ZINC000599278790 1039108690 /nfs/dbraw/zinc/10/86/90/1039108690.db2.gz HNBYVTIYBBTGMZ-HXUWFJFHSA-N 1 1 306.409 3.613 20 30 DHEDMO Cc1ccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)cc1C#N ZINC000599285371 1039109737 /nfs/dbraw/zinc/10/97/37/1039109737.db2.gz QTDPBUZAXPJLEG-FQEVSTJZSA-N 1 1 306.409 3.830 20 30 DHEDMO COc1cncc(/C=C\CC[N@@H+](CCC#N)CCC(C)C)c1 ZINC000592071154 1039115422 /nfs/dbraw/zinc/11/54/22/1039115422.db2.gz BLTCUFFDNPHVDR-DAXSKMNVSA-N 1 1 301.434 3.755 20 30 DHEDMO N#Cc1cnccc1C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000592070640 1039116488 /nfs/dbraw/zinc/11/64/88/1039116488.db2.gz SOSPTYVQRHPVRF-OAHLLOKOSA-N 1 1 309.438 3.567 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000592070640 1039116497 /nfs/dbraw/zinc/11/64/97/1039116497.db2.gz SOSPTYVQRHPVRF-OAHLLOKOSA-N 1 1 309.438 3.567 20 30 DHEDMO CC[C@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@H]1c1ccccc1 ZINC000592071501 1039116869 /nfs/dbraw/zinc/11/68/69/1039116869.db2.gz KFQXRSSXICRKKA-OXJNMPFZSA-N 1 1 305.425 3.969 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000592070994 1039116927 /nfs/dbraw/zinc/11/69/27/1039116927.db2.gz BYXRHJIRDGCDTQ-OAQYLSRUSA-N 1 1 317.436 3.823 20 30 DHEDMO CC(C)([NH2+]Cc1ccncc1C#N)c1cccc(C(F)(F)F)c1 ZINC000592067231 1039117310 /nfs/dbraw/zinc/11/73/10/1039117310.db2.gz VKRMQRWNZSRLHJ-UHFFFAOYSA-N 1 1 319.330 3.997 20 30 DHEDMO Cc1ccc(C[NH2+][C@H](COCC(C)C)c2ccco2)cc1C#N ZINC000599360883 1039139598 /nfs/dbraw/zinc/13/95/98/1039139598.db2.gz XJWUKYSXPHWENP-GOSISDBHSA-N 1 1 312.413 3.963 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C)cc(C)c1 ZINC000058397780 1039156288 /nfs/dbraw/zinc/15/62/88/1039156288.db2.gz XDSAUDCHGYZNLL-UHFFFAOYSA-N 1 1 308.425 3.824 20 30 DHEDMO C[C@@H](C#N)C[NH2+]Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC000592507607 1039220510 /nfs/dbraw/zinc/22/05/10/1039220510.db2.gz TVPUAILXRKJSHR-ZDUSSCGKSA-N 1 1 316.351 3.793 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586597 1039220992 /nfs/dbraw/zinc/22/09/92/1039220992.db2.gz AWCXSPQAKLLXIP-HUUCEWRRSA-N 1 1 308.466 3.616 20 30 DHEDMO CC[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C[C@@H](C)C#N ZINC000171064987 1039224718 /nfs/dbraw/zinc/22/47/18/1039224718.db2.gz PLVUNURZJSRUEU-ZDUSSCGKSA-N 1 1 312.413 3.999 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCc3c(O)cccc3C2)cc1 ZINC000599645086 1039246966 /nfs/dbraw/zinc/24/69/66/1039246966.db2.gz BZXDFRWKIIMEEG-UHFFFAOYSA-N 1 1 306.409 3.752 20 30 DHEDMO CCc1ccc(C2CC[NH+](Cc3ccncc3C#N)CC2)cc1 ZINC000599668429 1039251016 /nfs/dbraw/zinc/25/10/16/1039251016.db2.gz DYQHVNBCIKMABJ-UHFFFAOYSA-N 1 1 305.425 3.895 20 30 DHEDMO Cc1c(C[N@@H+]2CCc3c(CC#N)cccc3C2)cccc1[N+](=O)[O-] ZINC000599686225 1039269891 /nfs/dbraw/zinc/26/98/91/1039269891.db2.gz OKVKKFIPAXUKNG-UHFFFAOYSA-N 1 1 321.380 3.528 20 30 DHEDMO Cc1c(C[N@H+]2CCc3c(CC#N)cccc3C2)cccc1[N+](=O)[O-] ZINC000599686225 1039269902 /nfs/dbraw/zinc/26/99/02/1039269902.db2.gz OKVKKFIPAXUKNG-UHFFFAOYSA-N 1 1 321.380 3.528 20 30 DHEDMO C/C=C\C[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000599689224 1039270985 /nfs/dbraw/zinc/27/09/85/1039270985.db2.gz HOEKJSVJIUBQEL-GWQWAINWSA-N 1 1 322.412 3.786 20 30 DHEDMO N#Cc1cc(CS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000592354581 1039336940 /nfs/dbraw/zinc/33/69/40/1039336940.db2.gz PBGJNJFHNWZXKR-IBGZPJMESA-N 1 1 323.465 3.851 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccncc2C#N)CCc2ccc(Cl)cc21 ZINC000593063581 1039354024 /nfs/dbraw/zinc/35/40/24/1039354024.db2.gz SPILCBWEOQNALG-ZDUSSCGKSA-N 1 1 311.816 3.768 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccncc2C#N)CCc2ccc(Cl)cc21 ZINC000593063581 1039354039 /nfs/dbraw/zinc/35/40/39/1039354039.db2.gz SPILCBWEOQNALG-ZDUSSCGKSA-N 1 1 311.816 3.768 20 30 DHEDMO COc1ccc(C[C@@H]2CCCC[N@H+]2Cc2ccncc2C#N)cc1 ZINC000593082558 1039427758 /nfs/dbraw/zinc/42/77/58/1039427758.db2.gz LEPSNSMZADFSHW-IBGZPJMESA-N 1 1 321.424 3.559 20 30 DHEDMO CC(C)c1cccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046528898 1039734558 /nfs/dbraw/zinc/73/45/58/1039734558.db2.gz KBAURFVUEVRPFZ-UHFFFAOYSA-N 1 1 321.424 3.752 20 30 DHEDMO CC(C)c1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046528898 1039734577 /nfs/dbraw/zinc/73/45/77/1039734577.db2.gz KBAURFVUEVRPFZ-UHFFFAOYSA-N 1 1 321.424 3.752 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000605743143 1039742657 /nfs/dbraw/zinc/74/26/57/1039742657.db2.gz VSIXFDGQROWTNY-UHFFFAOYSA-N 1 1 302.462 3.712 20 30 DHEDMO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594495936 1039798465 /nfs/dbraw/zinc/79/84/65/1039798465.db2.gz FVFOHTSCMIWIFS-DLBZAZTESA-N 1 1 313.489 3.698 20 30 DHEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594495936 1039798481 /nfs/dbraw/zinc/79/84/81/1039798481.db2.gz FVFOHTSCMIWIFS-DLBZAZTESA-N 1 1 313.489 3.698 20 30 DHEDMO N#Cc1c(NCC[NH+]2Cc3ccccc3C2)cccc1C(F)F ZINC000594547213 1039808939 /nfs/dbraw/zinc/80/89/39/1039808939.db2.gz FQMVZFRVSHSZBD-UHFFFAOYSA-N 1 1 313.351 3.924 20 30 DHEDMO N#Cc1cc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)nc2ccccc12 ZINC000594603452 1039846629 /nfs/dbraw/zinc/84/66/29/1039846629.db2.gz VJSNCTFQWFKHGD-ROUUACIJSA-N 1 1 306.413 3.535 20 30 DHEDMO C[C@H](CNCc1ccc(C2(C#N)CC2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000594926674 1039928329 /nfs/dbraw/zinc/92/83/29/1039928329.db2.gz VDAJEWVOJDXIDQ-DLBZAZTESA-N 1 1 311.473 3.594 20 30 DHEDMO C[C@H](CNCc1ccc(C2(C#N)CC2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000594926674 1039928346 /nfs/dbraw/zinc/92/83/46/1039928346.db2.gz VDAJEWVOJDXIDQ-DLBZAZTESA-N 1 1 311.473 3.594 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)nc1 ZINC000594016568 1039942945 /nfs/dbraw/zinc/94/29/45/1039942945.db2.gz ZOWGQWXPBHEQAD-IBGZPJMESA-N 1 1 301.393 3.847 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)nc1 ZINC000594016568 1039942956 /nfs/dbraw/zinc/94/29/56/1039942956.db2.gz ZOWGQWXPBHEQAD-IBGZPJMESA-N 1 1 301.393 3.847 20 30 DHEDMO Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000594959068 1039966400 /nfs/dbraw/zinc/96/64/00/1039966400.db2.gz RXWYLWQVVWIZDV-AWEZNQCLSA-N 1 1 322.334 3.574 20 30 DHEDMO C=CCCCCCN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000606815946 1039984952 /nfs/dbraw/zinc/98/49/52/1039984952.db2.gz IIZZFBDVGWHAIM-LJQANCHMSA-N 1 1 314.473 3.856 20 30 DHEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CCCCC1 ZINC000594993247 1040011509 /nfs/dbraw/zinc/01/15/09/1040011509.db2.gz CETJTHFNJOVCHG-UHFFFAOYSA-N 1 1 312.392 3.779 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000606895951 1040017555 /nfs/dbraw/zinc/01/75/55/1040017555.db2.gz KAMXGGMZIWMWQW-AWEZNQCLSA-N 1 1 313.228 3.972 20 30 DHEDMO C=CCCSCC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000595060182 1040026181 /nfs/dbraw/zinc/02/61/81/1040026181.db2.gz UDGVHCCCJRAYSB-HKUYNNGSSA-N 1 1 318.530 3.796 20 30 DHEDMO C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccc(C#N)cc1F ZINC000595065605 1040028465 /nfs/dbraw/zinc/02/84/65/1040028465.db2.gz ICXDPFDSHQJKJQ-CQSZACIVSA-N 1 1 324.403 3.543 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CC2(CCCCC2)O1 ZINC000594057405 1040032725 /nfs/dbraw/zinc/03/27/25/1040032725.db2.gz CVUDBQHPTLSKSL-AWEZNQCLSA-N 1 1 302.393 3.621 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC2(CCCCC2)O1 ZINC000594057405 1040032734 /nfs/dbraw/zinc/03/27/34/1040032734.db2.gz CVUDBQHPTLSKSL-AWEZNQCLSA-N 1 1 302.393 3.621 20 30 DHEDMO C[C@@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(C#N)cc1F ZINC000595081976 1040077106 /nfs/dbraw/zinc/07/71/06/1040077106.db2.gz VKSYQAACMPYPEZ-ZBFHGGJFSA-N 1 1 315.436 3.755 20 30 DHEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN([C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000595330495 1040097699 /nfs/dbraw/zinc/09/76/99/1040097699.db2.gz CLSPKNIIOZTPFF-MAUKXSAKSA-N 1 1 317.864 3.568 20 30 DHEDMO C[N@@H+](CC1CC1)C[C@H]1CCN([C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000595330494 1040100387 /nfs/dbraw/zinc/10/03/87/1040100387.db2.gz CLSPKNIIOZTPFF-CRAIPNDOSA-N 1 1 317.864 3.568 20 30 DHEDMO N#C[C@H](c1ccc(Cl)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000595376523 1040126108 /nfs/dbraw/zinc/12/61/08/1040126108.db2.gz KALHJNIGVLBRKY-DZGCQCFKSA-N 1 1 300.793 3.507 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC000595432931 1040135542 /nfs/dbraw/zinc/13/55/42/1040135542.db2.gz WRMOJPMERWXZDD-IBGZPJMESA-N 1 1 306.409 3.502 20 30 DHEDMO COc1ccc2c(c1)C1(CC1)C[N@H+](CCc1ccc(C#N)cc1)C2 ZINC000595488959 1040141881 /nfs/dbraw/zinc/14/18/81/1040141881.db2.gz FMQHAUHNBBVGQU-UHFFFAOYSA-N 1 1 318.420 3.657 20 30 DHEDMO N#C[C@H](c1ccccc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000595468604 1040147630 /nfs/dbraw/zinc/14/76/30/1040147630.db2.gz UNDVGHCRCXKMEX-LJQANCHMSA-N 1 1 320.440 3.664 20 30 DHEDMO Cc1cccc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)c1 ZINC000593023338 1040163027 /nfs/dbraw/zinc/16/30/27/1040163027.db2.gz QHLGREWXWYVMHT-KRWDZBQOSA-N 1 1 321.380 3.764 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c(Br)c1 ZINC000595567428 1040163535 /nfs/dbraw/zinc/16/35/35/1040163535.db2.gz NXFUHKLCUZEWQR-ZFWWWQNUSA-N 1 1 305.219 3.695 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c(Br)c1 ZINC000595567428 1040163539 /nfs/dbraw/zinc/16/35/39/1040163539.db2.gz NXFUHKLCUZEWQR-ZFWWWQNUSA-N 1 1 305.219 3.695 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(Br)c1 ZINC000595623984 1040195963 /nfs/dbraw/zinc/19/59/63/1040195963.db2.gz ZXTAKHBOTZXLBM-ZDUSSCGKSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(Br)c1 ZINC000595623984 1040195975 /nfs/dbraw/zinc/19/59/75/1040195975.db2.gz ZXTAKHBOTZXLBM-ZDUSSCGKSA-N 1 1 307.235 3.883 20 30 DHEDMO CC(C)(C)OC(=O)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595621885 1040196586 /nfs/dbraw/zinc/19/65/86/1040196586.db2.gz ZDKOJYNHNAVJIR-OAHLLOKOSA-N 1 1 314.429 3.768 20 30 DHEDMO CC[C@@H](C)[N@@H+](CC)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000595601573 1040202200 /nfs/dbraw/zinc/20/22/00/1040202200.db2.gz SKYKHXPKGNPOLL-GFCCVEGCSA-N 1 1 319.474 3.557 20 30 DHEDMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595609025 1040204510 /nfs/dbraw/zinc/20/45/10/1040204510.db2.gz FGOQCKNNGSYVEK-KRWDZBQOSA-N 1 1 313.445 3.648 20 30 DHEDMO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611101 1040207267 /nfs/dbraw/zinc/20/72/67/1040207267.db2.gz GXAWEGWYROOCCS-HZPDHXFCSA-N 1 1 313.445 3.763 20 30 DHEDMO CC(C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611101 1040207282 /nfs/dbraw/zinc/20/72/82/1040207282.db2.gz GXAWEGWYROOCCS-HZPDHXFCSA-N 1 1 313.445 3.763 20 30 DHEDMO COc1cccc([C@@]2(C)CC[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC000595762896 1040235544 /nfs/dbraw/zinc/23/55/44/1040235544.db2.gz BHKCWPSUMKANJY-SFHVURJKSA-N 1 1 312.438 3.792 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H](C)[C@H]2CCC)c1=S ZINC000173387741 1040239110 /nfs/dbraw/zinc/23/91/10/1040239110.db2.gz RLHLCIJGACZURQ-DZGCQCFKSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H](C)[C@H]2CCC)c1=S ZINC000173387741 1040239119 /nfs/dbraw/zinc/23/91/19/1040239119.db2.gz RLHLCIJGACZURQ-DZGCQCFKSA-N 1 1 308.495 3.767 20 30 DHEDMO CCC1(CC)CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000595751071 1040240873 /nfs/dbraw/zinc/24/08/73/1040240873.db2.gz CEFLOIQIHWSIOG-UHFFFAOYSA-N 1 1 313.445 3.789 20 30 DHEDMO N#CC1(CC[N@H+]2CCOC(C3CC3)(C3CC3)C2)CCCCC1 ZINC000595821135 1040248143 /nfs/dbraw/zinc/24/81/43/1040248143.db2.gz ATQXLKJCIHZGOW-UHFFFAOYSA-N 1 1 302.462 3.742 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595785163 1040254734 /nfs/dbraw/zinc/25/47/34/1040254734.db2.gz VWILSBAWLXJSML-SFHVURJKSA-N 1 1 318.848 3.993 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c(Cl)c1 ZINC000595789295 1040256431 /nfs/dbraw/zinc/25/64/31/1040256431.db2.gz QNCHROWQCHKICE-FUHWJXTLSA-N 1 1 318.848 3.993 20 30 DHEDMO C[C@@]1(C#N)CC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000595841381 1040258332 /nfs/dbraw/zinc/25/83/32/1040258332.db2.gz VNZOYDGBWOVWEY-HNNXBMFYSA-N 1 1 312.335 3.710 20 30 DHEDMO C[C@@]1(C#N)CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000595841381 1040258351 /nfs/dbraw/zinc/25/83/51/1040258351.db2.gz VNZOYDGBWOVWEY-HNNXBMFYSA-N 1 1 312.335 3.710 20 30 DHEDMO CC[C@@H](c1ccccc1)[N@@H+](CC(=O)N(CC)CCC#N)C(C)C ZINC000595855847 1040263099 /nfs/dbraw/zinc/26/30/99/1040263099.db2.gz FPNUXFSDXIZNAT-SFHVURJKSA-N 1 1 315.461 3.610 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@](C)(C(F)F)O1 ZINC000595917469 1040282873 /nfs/dbraw/zinc/28/28/73/1040282873.db2.gz MYAARYHUKANXCX-FZKQIMNGSA-N 1 1 322.399 3.732 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@](C)(C(F)F)O1 ZINC000595917469 1040282887 /nfs/dbraw/zinc/28/28/87/1040282887.db2.gz MYAARYHUKANXCX-FZKQIMNGSA-N 1 1 322.399 3.732 20 30 DHEDMO CC(C)[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc(C#N)cc1 ZINC000063750356 1040490113 /nfs/dbraw/zinc/49/01/13/1040490113.db2.gz RGZUVSWZBUCFPG-UHFFFAOYSA-N 1 1 319.408 3.719 20 30 DHEDMO CC1(C)C[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]1c1cccnc1 ZINC000596590948 1040501426 /nfs/dbraw/zinc/50/14/26/1040501426.db2.gz REVRBCXFKDBMMG-QGZVFWFLSA-N 1 1 313.445 3.565 20 30 DHEDMO CC1(C)C[N@@H+](CCCC2(C#N)CCOCC2)[C@H]1c1ccncc1 ZINC000596595176 1040505979 /nfs/dbraw/zinc/50/59/79/1040505979.db2.gz YGJJNFKWZPPWRC-KRWDZBQOSA-N 1 1 313.445 3.565 20 30 DHEDMO CC[C@@H]([NH2+][C@@H]1CNCC[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000596649830 1040539939 /nfs/dbraw/zinc/53/99/39/1040539939.db2.gz MJTYGBNRXTWKSU-NJDAHSKKSA-N 1 1 319.452 3.745 20 30 DHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C)CC#N)c1 ZINC000596828451 1040577787 /nfs/dbraw/zinc/57/77/87/1040577787.db2.gz GKBPTEAPPODKQN-AWEZNQCLSA-N 1 1 310.401 3.543 20 30 DHEDMO Cc1ccccc1C[N@H+]1CCCN(c2ccc(C#N)cc2F)CC1 ZINC000608778812 1040611414 /nfs/dbraw/zinc/61/14/14/1040611414.db2.gz HPJZKPZGBMHUJG-UHFFFAOYSA-N 1 1 323.415 3.718 20 30 DHEDMO CS[C@H]1CCCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597030648 1040629678 /nfs/dbraw/zinc/62/96/78/1040629678.db2.gz SXQQOMJGYPRYPJ-KRWDZBQOSA-N 1 1 300.471 3.959 20 30 DHEDMO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597027802 1040629907 /nfs/dbraw/zinc/62/99/07/1040629907.db2.gz RQHHJPSJWIZFPP-UHFFFAOYSA-N 1 1 313.832 3.866 20 30 DHEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597026491 1040630738 /nfs/dbraw/zinc/63/07/38/1040630738.db2.gz IXMMKCBCKKNGSJ-IBGZPJMESA-N 1 1 320.440 3.621 20 30 DHEDMO N#CC1(C[NH2+]Cc2cc3cc(Br)ccc3o2)CC1 ZINC000597120691 1040656294 /nfs/dbraw/zinc/65/62/94/1040656294.db2.gz HMJQUCMDICTEHO-UHFFFAOYSA-N 1 1 305.175 3.589 20 30 DHEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597130215 1040658814 /nfs/dbraw/zinc/65/88/14/1040658814.db2.gz SUCYNHFLNJJPGZ-LPHOPBHVSA-N 1 1 312.457 3.757 20 30 DHEDMO C[C@]12CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C[C@H]1C2(F)F ZINC000597128966 1040659306 /nfs/dbraw/zinc/65/93/06/1040659306.db2.gz FOGKMAMDYQMRID-CVEARBPZSA-N 1 1 302.368 3.719 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)cc2)CC1 ZINC000597133465 1040659551 /nfs/dbraw/zinc/65/95/51/1040659551.db2.gz SQYFQCPWNYTORU-MOPGFXCFSA-N 1 1 322.452 3.775 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000060479285 1040671799 /nfs/dbraw/zinc/67/17/99/1040671799.db2.gz OLGVQUXSKFYZKY-SFHVURJKSA-N 1 1 310.372 3.913 20 30 DHEDMO N#CCC1C[NH+](Cc2cc3ccccc3nc2N2CCCCC2)C1 ZINC000597193626 1040671937 /nfs/dbraw/zinc/67/19/37/1040671937.db2.gz JBYNTYXVFKVBKO-UHFFFAOYSA-N 1 1 320.440 3.571 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000060478238 1040673449 /nfs/dbraw/zinc/67/34/49/1040673449.db2.gz KBYWLUXZZASSOF-UHFFFAOYSA-N 1 1 310.397 3.975 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000597177435 1040678386 /nfs/dbraw/zinc/67/83/86/1040678386.db2.gz MICXZHVBTUELDW-CYBMUJFWSA-N 1 1 314.820 3.856 20 30 DHEDMO COc1ccc(C[C@H](C)C[N@H+]2CCC[C@H](CC#N)C2)cc1F ZINC000597177611 1040679313 /nfs/dbraw/zinc/67/93/13/1040679313.db2.gz QGLVVTCQPQDVSR-LSDHHAIUSA-N 1 1 304.409 3.639 20 30 DHEDMO Cc1nn(-c2cccc(C)c2)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597177498 1040679057 /nfs/dbraw/zinc/67/90/57/1040679057.db2.gz NGYLIDQVHCPUBN-QGZVFWFLSA-N 1 1 308.429 3.615 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@H](Oc4ccccc4)C3)cc2)CC1 ZINC000597227890 1040695806 /nfs/dbraw/zinc/69/58/06/1040695806.db2.gz IDJJGVGOKMNOMQ-HXUWFJFHSA-N 1 1 318.420 3.895 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H]2CCCC[C@@H]12 ZINC000534337159 1040819421 /nfs/dbraw/zinc/81/94/21/1040819421.db2.gz UUMSWTIIWBZAQX-JLSDUUJJSA-N 1 1 308.429 3.607 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1cc(Br)cs1 ZINC000602445327 1041036945 /nfs/dbraw/zinc/03/69/45/1041036945.db2.gz PVXMICJWRWGFAM-JTQLQIEISA-N 1 1 301.253 3.882 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000602474809 1041039026 /nfs/dbraw/zinc/03/90/26/1041039026.db2.gz NZVVLKZRAJBQSP-GGPKGHCWSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000602459915 1041043593 /nfs/dbraw/zinc/04/35/93/1041043593.db2.gz WKYYSPPXVYRPBV-ZBFHGGJFSA-N 1 1 300.402 3.535 20 30 DHEDMO CC[N@@H+](C[C@H](C)CCC#N)CC1CCN(c2ccccn2)CC1 ZINC000602478798 1041048770 /nfs/dbraw/zinc/04/87/70/1041048770.db2.gz UZQQPNJFCWAFFX-QGZVFWFLSA-N 1 1 314.477 3.560 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+]1CCc2sc(Br)cc2C1 ZINC000602485802 1041052047 /nfs/dbraw/zinc/05/20/47/1041052047.db2.gz SUNHTPYDKIXATK-JTQLQIEISA-N 1 1 313.264 3.809 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCc2sc(Br)cc2C1 ZINC000602485802 1041052058 /nfs/dbraw/zinc/05/20/58/1041052058.db2.gz SUNHTPYDKIXATK-JTQLQIEISA-N 1 1 313.264 3.809 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc(F)c1N ZINC000602481632 1041053718 /nfs/dbraw/zinc/05/37/18/1041053718.db2.gz HDKKPBMIKGIAHP-AEFFLSMTSA-N 1 1 309.388 3.680 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1N ZINC000602481632 1041053729 /nfs/dbraw/zinc/05/37/29/1041053729.db2.gz HDKKPBMIKGIAHP-AEFFLSMTSA-N 1 1 309.388 3.680 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000602486919 1041056984 /nfs/dbraw/zinc/05/69/84/1041056984.db2.gz REKQANOAUICREN-VQIMIIECSA-N 1 1 300.446 3.688 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000602487003 1041057043 /nfs/dbraw/zinc/05/70/43/1041057043.db2.gz YBDROOCHIIGZAF-HKUYNNGSSA-N 1 1 300.446 3.650 20 30 DHEDMO N#CC1CCC([NH2+]CC2(N3CCCCC3)CCCCC2)CC1 ZINC000602506035 1041075108 /nfs/dbraw/zinc/07/51/08/1041075108.db2.gz CJMHRSIPXUOLCA-UHFFFAOYSA-N 1 1 303.494 3.847 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000602660270 1041144406 /nfs/dbraw/zinc/14/44/06/1041144406.db2.gz BHPYMBDACJGGEI-AZUAARDMSA-N 1 1 311.473 3.524 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000602660270 1041144413 /nfs/dbraw/zinc/14/44/13/1041144413.db2.gz BHPYMBDACJGGEI-AZUAARDMSA-N 1 1 311.473 3.524 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000602690342 1041152612 /nfs/dbraw/zinc/15/26/12/1041152612.db2.gz JMFWKSIAPNPLJJ-KGLIPLIRSA-N 1 1 318.383 3.607 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccnn1CC1CCC1 ZINC000602693445 1041154970 /nfs/dbraw/zinc/15/49/70/1041154970.db2.gz RDEYDOXTIRTZLU-HNNXBMFYSA-N 1 1 308.429 3.748 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnn1CC1CCC1 ZINC000602693445 1041154978 /nfs/dbraw/zinc/15/49/78/1041154978.db2.gz RDEYDOXTIRTZLU-HNNXBMFYSA-N 1 1 308.429 3.748 20 30 DHEDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602779722 1041206828 /nfs/dbraw/zinc/20/68/28/1041206828.db2.gz NSMJBKHAGBBWFA-KRWDZBQOSA-N 1 1 308.429 3.887 20 30 DHEDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000602779722 1041206846 /nfs/dbraw/zinc/20/68/46/1041206846.db2.gz NSMJBKHAGBBWFA-KRWDZBQOSA-N 1 1 308.429 3.887 20 30 DHEDMO CCCC[N@@H+](CC1(CC#N)CC1)[C@H]1CCc2ncsc2C1 ZINC000602851796 1041258736 /nfs/dbraw/zinc/25/87/36/1041258736.db2.gz XHSATAOROFNBMY-AWEZNQCLSA-N 1 1 303.475 3.796 20 30 DHEDMO CCCC[N@@H+](CC1(CC#N)CC1)[C@@H]1CCc2ncsc2C1 ZINC000602851797 1041261106 /nfs/dbraw/zinc/26/11/06/1041261106.db2.gz XHSATAOROFNBMY-CQSZACIVSA-N 1 1 303.475 3.796 20 30 DHEDMO C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)CC1(CC#N)CC1 ZINC000602841464 1041268213 /nfs/dbraw/zinc/26/82/13/1041268213.db2.gz OEXKINWXBAMGME-LLVKDONJSA-N 1 1 302.809 3.903 20 30 DHEDMO C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CC1(CC#N)CC1 ZINC000602841464 1041268228 /nfs/dbraw/zinc/26/82/28/1041268228.db2.gz OEXKINWXBAMGME-LLVKDONJSA-N 1 1 302.809 3.903 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1cccc2ccccc21)[C@H]1CCC[C@H]1C#N ZINC000602979771 1041329676 /nfs/dbraw/zinc/32/96/76/1041329676.db2.gz HWFDTVPBKPIZIC-LPHOPBHVSA-N 1 1 321.424 3.792 20 30 DHEDMO Cc1cccc(C)c1NC(=O)CCC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602975502 1041334175 /nfs/dbraw/zinc/33/41/75/1041334175.db2.gz BYHKWSPRVKIWKS-SJORKVTESA-N 1 1 313.445 3.646 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000598602974 1041344482 /nfs/dbraw/zinc/34/44/82/1041344482.db2.gz XTVLQGYGNNEXHO-CRAIPNDOSA-N 1 1 318.436 3.696 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000598587120 1041349334 /nfs/dbraw/zinc/34/93/34/1041349334.db2.gz NCNJTPHBPZIINH-HOTGVXAUSA-N 1 1 306.837 3.778 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000598587332 1041351653 /nfs/dbraw/zinc/35/16/53/1041351653.db2.gz QGTAXGKVVHTEIN-HOTGVXAUSA-N 1 1 320.864 3.648 20 30 DHEDMO Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)c1 ZINC000598593819 1041353906 /nfs/dbraw/zinc/35/39/06/1041353906.db2.gz WXDKZHICUFMYNX-SJLPKXTDSA-N 1 1 300.446 3.741 20 30 DHEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598595381 1041355204 /nfs/dbraw/zinc/35/52/04/1041355204.db2.gz NNEJRHLYPWHJPZ-MSOLQXFVSA-N 1 1 320.452 3.625 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000598616218 1041361066 /nfs/dbraw/zinc/36/10/66/1041361066.db2.gz KPCACJJOIJTURO-WJFTUGDTSA-N 1 1 312.457 3.555 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000598624623 1041367072 /nfs/dbraw/zinc/36/70/72/1041367072.db2.gz JHMZBRFVQHKHOI-QZTJIDSGSA-N 1 1 310.441 3.680 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000598626203 1041367236 /nfs/dbraw/zinc/36/72/36/1041367236.db2.gz UMFMPFXZCSAZHU-MJGOQNOKSA-N 1 1 318.436 3.523 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H](COC)c2ccco2)cc1Cl ZINC000080270371 334944208 /nfs/dbraw/zinc/94/42/08/334944208.db2.gz YQQJUYAOAZQUPF-HNNXBMFYSA-N 1 1 321.804 3.975 20 30 DHEDMO C#CCCOc1ccc(C[NH2+][C@H](C)c2c(F)cncc2F)cc1 ZINC000285588740 335023684 /nfs/dbraw/zinc/02/36/84/335023684.db2.gz VWBDKNIISBXRIN-CYBMUJFWSA-N 1 1 316.351 3.613 20 30 DHEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000192621604 335036676 /nfs/dbraw/zinc/03/66/76/335036676.db2.gz JDKSGVYBXPJGKG-LRDDRELGSA-N 1 1 319.836 3.661 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)[C@@H](C)c2ccncc2)cc(OC)c1O ZINC000183716109 335040157 /nfs/dbraw/zinc/04/01/57/335040157.db2.gz RRMGYHRZJRXVPJ-AWEZNQCLSA-N 1 1 312.413 3.717 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnc([C@@H](C)O)s1)Cc1ccccc1 ZINC000289643642 335062151 /nfs/dbraw/zinc/06/21/51/335062151.db2.gz LFBLOBGXESEARR-CQSZACIVSA-N 1 1 302.443 3.775 20 30 DHEDMO C=C(C)C[N@H+](Cc1cnc([C@@H](C)O)s1)Cc1ccccc1 ZINC000289643642 335062154 /nfs/dbraw/zinc/06/21/54/335062154.db2.gz LFBLOBGXESEARR-CQSZACIVSA-N 1 1 302.443 3.775 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1OC ZINC000289662049 335062514 /nfs/dbraw/zinc/06/25/14/335062514.db2.gz CVEXOUAQIWSRNK-GOSISDBHSA-N 1 1 324.424 3.992 20 30 DHEDMO CC(=O)c1ccc(C#N)c(NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000272534767 130039134 /nfs/dbraw/zinc/03/91/34/130039134.db2.gz PDMGEWMAPAMLHY-SFHVURJKSA-N 1 1 323.396 3.603 20 30 DHEDMO C#Cc1ccc(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)cc1 ZINC000289578216 335064707 /nfs/dbraw/zinc/06/47/07/335064707.db2.gz HTSXTWOFOPCCGY-SNVBAGLBSA-N 1 1 310.344 3.994 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@](F)(CO)C2)cc1 ZINC000286796208 131250474 /nfs/dbraw/zinc/25/04/74/131250474.db2.gz ILNUAYWDILYIBC-FQEVSTJZSA-N 1 1 324.399 3.522 20 30 DHEDMO C[C@H](N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000287019462 131259818 /nfs/dbraw/zinc/25/98/18/131259818.db2.gz LBJUYMVISYRACE-IFXJQAMLSA-N 1 1 311.404 3.651 20 30 DHEDMO CC[N@H+](Cc1cnc([C@@H](C)O)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000289198098 131365476 /nfs/dbraw/zinc/36/54/76/131365476.db2.gz VDJYLBHRSMJEEL-CHWSQXEVSA-N 1 1 315.442 3.651 20 30 DHEDMO CC[N@@H+](Cc1cnc([C@@H](C)O)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000289198098 131365477 /nfs/dbraw/zinc/36/54/77/131365477.db2.gz VDJYLBHRSMJEEL-CHWSQXEVSA-N 1 1 315.442 3.651 20 30 DHEDMO N#Cc1cc(C[NH+]2CCC(F)(c3ccccn3)CC2)ccc1F ZINC000289453175 131387149 /nfs/dbraw/zinc/38/71/49/131387149.db2.gz XNMJZLCUBNIIGI-UHFFFAOYSA-N 1 1 313.351 3.553 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000290295127 335070830 /nfs/dbraw/zinc/07/08/30/335070830.db2.gz ASVJCTPNCDKXQS-LJQANCHMSA-N 1 1 323.440 3.766 20 30 DHEDMO CC(=O)c1ccccc1OCC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425549430 335075094 /nfs/dbraw/zinc/07/50/94/335075094.db2.gz ZSJWEUIGNPRJOK-OAHLLOKOSA-N 1 1 322.408 3.833 20 30 DHEDMO Cc1nc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)ccc1C#N ZINC000488109037 429176798 /nfs/dbraw/zinc/17/67/98/429176798.db2.gz TXMSUENOIUEFOA-QAPCUYQASA-N 1 1 306.413 3.509 20 30 DHEDMO C[C@H](Nc1cc[nH+]c(N2CCCCC2)n1)c1cccc(C#N)c1 ZINC000612661198 430571825 /nfs/dbraw/zinc/57/18/25/430571825.db2.gz TWGFLUMQTKNYBX-AWEZNQCLSA-N 1 1 307.401 3.512 20 30 DHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccc2cc(C#N)ccc2n1 ZINC000538979870 435534171 /nfs/dbraw/zinc/53/41/71/435534171.db2.gz LUKWIBNHXMFENI-GASCZTMLSA-N 1 1 308.429 3.781 20 30 DHEDMO Cc1c(Cl)cnc(NCCCC[N@@H+]2CCC[C@H](C)C2)c1C#N ZINC000543133714 435648634 /nfs/dbraw/zinc/64/86/34/435648634.db2.gz MSEMMNRCHJNBSW-ZDUSSCGKSA-N 1 1 320.868 3.839 20 30 DHEDMO C=CCOc1ccccc1CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000544678431 435649141 /nfs/dbraw/zinc/64/91/41/435649141.db2.gz JFAXIRJQDGRMPR-UHFFFAOYSA-N 1 1 324.428 3.644 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607630 332055473 /nfs/dbraw/zinc/05/54/73/332055473.db2.gz DWVITLSIJUVBFB-CYBMUJFWSA-N 1 1 307.353 3.586 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607630 332055474 /nfs/dbraw/zinc/05/54/74/332055474.db2.gz DWVITLSIJUVBFB-CYBMUJFWSA-N 1 1 307.353 3.586 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](C)[C@H]2c2ccc(C)cc2)C1=O ZINC000410380677 332121209 /nfs/dbraw/zinc/12/12/09/332121209.db2.gz HRMHKCGAGGKXEU-WDSOQIARSA-N 1 1 312.457 3.555 20 30 DHEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000093315921 332137352 /nfs/dbraw/zinc/13/73/52/332137352.db2.gz NGEGQRSHRKVLSL-MRXNPFEDSA-N 1 1 323.440 3.935 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000569562360 332138770 /nfs/dbraw/zinc/13/87/70/332138770.db2.gz JOOBVRVSKMNUHI-AWEZNQCLSA-N 1 1 324.359 3.546 20 30 DHEDMO CC[NH+](CC)CC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000426996188 332164844 /nfs/dbraw/zinc/16/48/44/332164844.db2.gz YDCTVUZUMNKKEG-UHFFFAOYSA-N 1 1 318.892 3.745 20 30 DHEDMO C=CC[C@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000427234904 332185970 /nfs/dbraw/zinc/18/59/70/332185970.db2.gz QMJVISOEGIKMAU-MOPGFXCFSA-N 1 1 314.473 3.679 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000181262626 332188471 /nfs/dbraw/zinc/18/84/71/332188471.db2.gz SDWREQUGMJATPJ-JTQLQIEISA-N 1 1 301.217 3.828 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000181262626 332188473 /nfs/dbraw/zinc/18/84/73/332188473.db2.gz SDWREQUGMJATPJ-JTQLQIEISA-N 1 1 301.217 3.828 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cc(C)ccc2OC)CC1 ZINC000152987336 332332166 /nfs/dbraw/zinc/33/21/66/332332166.db2.gz ZTCTXAWUHQABQB-MRXNPFEDSA-N 1 1 302.462 3.695 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2sc(CC)nc2C)CC1 ZINC000152940950 332333666 /nfs/dbraw/zinc/33/36/66/332333666.db2.gz WIISEDFKJKTUCT-ZDUSSCGKSA-N 1 1 307.507 3.705 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000152978009 332338301 /nfs/dbraw/zinc/33/83/01/332338301.db2.gz NDJJIYDJHWWWJK-KRWDZBQOSA-N 1 1 302.462 3.923 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](CC)c2ccccc2OC)CC1 ZINC000153035642 332342470 /nfs/dbraw/zinc/34/24/70/332342470.db2.gz LDULKYZRYBSVMV-GOSISDBHSA-N 1 1 302.462 3.776 20 30 DHEDMO CCC[N@@H+](Cc1cc(C#N)cs1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000560554264 332359088 /nfs/dbraw/zinc/35/90/88/332359088.db2.gz WXAAUCOQQQNFOQ-ARFHVFGLSA-N 1 1 304.459 3.645 20 30 DHEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(OCC2CC2)c(F)c1 ZINC000119451573 332372063 /nfs/dbraw/zinc/37/20/63/332372063.db2.gz PEXFMWDNNJMXHK-DZGCQCFKSA-N 1 1 315.392 3.709 20 30 DHEDMO C=CC[NH+]1CCC(NCc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000237717566 332386094 /nfs/dbraw/zinc/38/60/94/332386094.db2.gz BNSMPFXZKBQDJO-UHFFFAOYSA-N 1 1 310.441 3.995 20 30 DHEDMO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)cc1OCC ZINC000120997333 332391042 /nfs/dbraw/zinc/39/10/42/332391042.db2.gz VVNXKGBZRHQUOJ-CABCVRRESA-N 1 1 315.417 3.578 20 30 DHEDMO COc1ccc(OC)c(C[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000130475860 332538379 /nfs/dbraw/zinc/53/83/79/332538379.db2.gz UPVITFPJVSYCEF-GOSISDBHSA-N 1 1 310.397 3.838 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000185134494 335115077 /nfs/dbraw/zinc/11/50/77/335115077.db2.gz DKRHADPWJNAEFX-INIZCTEOSA-N 1 1 302.462 3.745 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000185134520 335115110 /nfs/dbraw/zinc/11/51/10/335115110.db2.gz DKRHADPWJNAEFX-MRXNPFEDSA-N 1 1 302.462 3.745 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccccc1S[C@H](C)CC#N)C1CC1 ZINC000170984135 333043471 /nfs/dbraw/zinc/04/34/71/333043471.db2.gz CNWSBDJOBPHQIN-CYBMUJFWSA-N 1 1 317.458 3.504 20 30 DHEDMO C=CC[N@H+](CCCO[C@@H]1CCCCO1)Cc1ccc(OC)cc1 ZINC000460380192 333075371 /nfs/dbraw/zinc/07/53/71/333075371.db2.gz LYSVMBMCTICEIL-LJQANCHMSA-N 1 1 319.445 3.617 20 30 DHEDMO Cc1cccc(C)c1NC(=O)C[N@H+](C)CC(C)(C)CCC#N ZINC000179631281 333153681 /nfs/dbraw/zinc/15/36/81/333153681.db2.gz SYMZEXFBRSQLCR-UHFFFAOYSA-N 1 1 301.434 3.504 20 30 DHEDMO N#Cc1ccc(CNCC2([NH+]3CCCCC3)CCCCC2)s1 ZINC000387834471 333180216 /nfs/dbraw/zinc/18/02/16/333180216.db2.gz BTNPYFSOJDABGQ-UHFFFAOYSA-N 1 1 317.502 3.898 20 30 DHEDMO C[C@H](CCN[C@@H](C)c1ccc(OCC#N)cc1)[NH+]1CCCCC1 ZINC000184513768 333197828 /nfs/dbraw/zinc/19/78/28/333197828.db2.gz IQCCVPKIUPSNQU-SJORKVTESA-N 1 1 315.461 3.504 20 30 DHEDMO N#C[C@H]1CCC[C@@H]([NH2+][C@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000185874483 333215128 /nfs/dbraw/zinc/21/51/28/333215128.db2.gz GZIKPECDGMQHHX-POZUXBRTSA-N 1 1 309.388 3.982 20 30 DHEDMO COc1ccccc1[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccn1 ZINC000185873776 333215352 /nfs/dbraw/zinc/21/53/52/333215352.db2.gz ZLQLLGUWLMXTRA-TWOQFEAHSA-N 1 1 321.424 3.852 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000364061156 333229520 /nfs/dbraw/zinc/22/95/20/333229520.db2.gz BLPXKKJFMAXSPE-JENIJYKNSA-N 1 1 314.473 3.616 20 30 DHEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294963696 335129618 /nfs/dbraw/zinc/12/96/18/335129618.db2.gz MUOBTQAWOJDIHJ-AEFFLSMTSA-N 1 1 314.473 3.710 20 30 DHEDMO CC[N@@H+](CCOc1cccc(C#N)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497591211 333266599 /nfs/dbraw/zinc/26/65/99/333266599.db2.gz WCEUDVKJNHQOLE-MRXNPFEDSA-N 1 1 319.408 3.892 20 30 DHEDMO C=CCCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000364380673 333303417 /nfs/dbraw/zinc/30/34/17/333303417.db2.gz SXMSMEXSUANZME-IEBWSBKVSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2c2cccc(Cl)c2)C1=O ZINC000499736822 333304146 /nfs/dbraw/zinc/30/41/46/333304146.db2.gz XCCPYWYEZVLZGR-SJORKVTESA-N 1 1 318.848 3.654 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2c2cccc(Cl)c2)C1=O ZINC000499736822 333304147 /nfs/dbraw/zinc/30/41/47/333304147.db2.gz XCCPYWYEZVLZGR-SJORKVTESA-N 1 1 318.848 3.654 20 30 DHEDMO C=CC1CCN(C(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)CC1 ZINC000110360086 333326886 /nfs/dbraw/zinc/32/68/86/333326886.db2.gz VLTUEEWGZGBAFD-UHFFFAOYSA-N 1 1 312.457 3.709 20 30 DHEDMO CC[C@@H](C)C[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000111253176 333328338 /nfs/dbraw/zinc/32/83/38/333328338.db2.gz PVBJGDLNDPMPOK-OAHLLOKOSA-N 1 1 311.429 3.716 20 30 DHEDMO N#Cc1ccc(C[N@H+](C[C@@H](O)CCc2ccccc2)C2CC2)cc1 ZINC000182275139 333354853 /nfs/dbraw/zinc/35/48/53/333354853.db2.gz FSTLAGUCFPCGON-NRFANRHFSA-N 1 1 320.436 3.516 20 30 DHEDMO C=CCC1(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)CCC1 ZINC000365206079 333398774 /nfs/dbraw/zinc/39/87/74/333398774.db2.gz UWUPHKGBEFZKOS-UHFFFAOYSA-N 1 1 314.429 3.506 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@H](C)c1cn(C)nc1C)c1ccc(F)c(F)c1 ZINC000186447598 335158128 /nfs/dbraw/zinc/15/81/28/335158128.db2.gz JBMSEVSRBHAKRG-DIFFPNOSSA-N 1 1 305.372 3.975 20 30 DHEDMO C=CCC[N@H+](C)Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000343490925 335169071 /nfs/dbraw/zinc/16/90/71/335169071.db2.gz MTKHIUACYQHRNG-UHFFFAOYSA-N 1 1 320.234 3.847 20 30 DHEDMO COc1ccc(C[N@H+](C)Cc2ccc(C#N)s2)cc1Cl ZINC000414547844 334015328 /nfs/dbraw/zinc/01/53/28/334015328.db2.gz INTZAFKULLFWNI-UHFFFAOYSA-N 1 1 306.818 3.914 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)s2)cc1Cl ZINC000414547844 334015329 /nfs/dbraw/zinc/01/53/29/334015329.db2.gz INTZAFKULLFWNI-UHFFFAOYSA-N 1 1 306.818 3.914 20 30 DHEDMO CC1(C#N)CC[NH+](CCOc2cc(Cl)ccc2Cl)CC1 ZINC000272512558 334036251 /nfs/dbraw/zinc/03/62/51/334036251.db2.gz GJUKDFMGRPQFEL-UHFFFAOYSA-N 1 1 313.228 3.998 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273467559 334047628 /nfs/dbraw/zinc/04/76/28/334047628.db2.gz INVWRMVQTBTLNT-YJBOKZPZSA-N 1 1 314.360 3.642 20 30 DHEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343530770 335175109 /nfs/dbraw/zinc/17/51/09/335175109.db2.gz DCIOVNKCIOGHMP-UZLBHIALSA-N 1 1 306.409 3.715 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000277580182 334089077 /nfs/dbraw/zinc/08/90/77/334089077.db2.gz CCZQXCKMBXCGCE-CVEARBPZSA-N 1 1 304.434 3.888 20 30 DHEDMO C[N@@H+](CCc1ccc(Br)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000278683504 334099645 /nfs/dbraw/zinc/09/96/45/334099645.db2.gz RWCDOCTVTDDZTB-HIFRSBDPSA-N 1 1 307.235 3.616 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000278797510 334101278 /nfs/dbraw/zinc/10/12/78/334101278.db2.gz QXPDQFVDIWSTKJ-IJXRJRJASA-N 1 1 311.473 3.569 20 30 DHEDMO N#CCC[C@H](C#N)C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000280485703 334117918 /nfs/dbraw/zinc/11/79/18/334117918.db2.gz LTKJIOMIQDOZBF-CQSZACIVSA-N 1 1 301.821 3.963 20 30 DHEDMO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000343609910 335177020 /nfs/dbraw/zinc/17/70/20/335177020.db2.gz XQNJPIIVJMIXDS-IBGZPJMESA-N 1 1 312.457 3.536 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000281983302 334130155 /nfs/dbraw/zinc/13/01/55/334130155.db2.gz MCNQOSZBIAGWKD-IEBWSBKVSA-N 1 1 312.457 3.965 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)[C@H](c2ccccc2)CO1 ZINC000343585493 335179677 /nfs/dbraw/zinc/17/96/77/335179677.db2.gz UMQFWIPNVMUSCV-UZLBHIALSA-N 1 1 306.409 3.715 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)[C@H](c2ccccc2)CO1 ZINC000343585493 335179679 /nfs/dbraw/zinc/17/96/79/335179679.db2.gz UMQFWIPNVMUSCV-UZLBHIALSA-N 1 1 306.409 3.715 20 30 DHEDMO CC[N@@H+](CC(C)C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000343591590 335179955 /nfs/dbraw/zinc/17/99/55/335179955.db2.gz CVKRKBWZMKWOLI-LBPRGKRZSA-N 1 1 307.825 3.517 20 30 DHEDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000292797854 334192367 /nfs/dbraw/zinc/19/23/67/334192367.db2.gz NEXQKLCCFCBUQG-QGZVFWFLSA-N 1 1 317.502 3.611 20 30 DHEDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000292797851 334192410 /nfs/dbraw/zinc/19/24/10/334192410.db2.gz NEXQKLCCFCBUQG-KRWDZBQOSA-N 1 1 317.502 3.611 20 30 DHEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000293505949 334198396 /nfs/dbraw/zinc/19/83/96/334198396.db2.gz NYOJVDHFSKELRQ-ZWKOTPCHSA-N 1 1 322.456 3.922 20 30 DHEDMO CC(C)(C)N1CC[C@H]([NH2+]CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000298627480 334250269 /nfs/dbraw/zinc/25/02/69/334250269.db2.gz VNTXBXYSAYTGNL-HOTGVXAUSA-N 1 1 323.843 3.896 20 30 DHEDMO Cc1cccc(C(C)C)c1NC(=O)CO[NH+]=C(N)C1CCCC1 ZINC000298743120 334250849 /nfs/dbraw/zinc/25/08/49/334250849.db2.gz DXCKETUDCNIMBJ-UHFFFAOYSA-N 1 1 317.433 3.536 20 30 DHEDMO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCC#N)s2)cc1 ZINC000299334060 334254785 /nfs/dbraw/zinc/25/47/85/334254785.db2.gz OJIKTJZHMNHGAL-LLVKDONJSA-N 1 1 301.415 3.691 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000187731047 334269804 /nfs/dbraw/zinc/26/98/04/334269804.db2.gz MVYOGWUQIZLOHJ-KRWDZBQOSA-N 1 1 305.425 3.832 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000187730191 334270034 /nfs/dbraw/zinc/27/00/34/334270034.db2.gz RORHOFFECJCOJP-GOSISDBHSA-N 1 1 319.452 3.827 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000187730191 334270036 /nfs/dbraw/zinc/27/00/36/334270036.db2.gz RORHOFFECJCOJP-GOSISDBHSA-N 1 1 319.452 3.827 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000187730191 334270038 /nfs/dbraw/zinc/27/00/38/334270038.db2.gz RORHOFFECJCOJP-GOSISDBHSA-N 1 1 319.452 3.827 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ncc(C)c(OC)c1C ZINC000303124981 334301086 /nfs/dbraw/zinc/30/10/86/334301086.db2.gz AUFNEGMTUYBHOV-UHFFFAOYSA-N 1 1 310.441 3.938 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2Br)c(F)c1 ZINC000048820795 334301352 /nfs/dbraw/zinc/30/13/52/334301352.db2.gz LZHJKQNYHSWGGG-UHFFFAOYSA-N 1 1 319.177 3.750 20 30 DHEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000121309368 334343566 /nfs/dbraw/zinc/34/35/66/334343566.db2.gz IXJPEEFQJCGQER-INIZCTEOSA-N 1 1 308.425 3.722 20 30 DHEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000121309368 334343567 /nfs/dbraw/zinc/34/35/67/334343567.db2.gz IXJPEEFQJCGQER-INIZCTEOSA-N 1 1 308.425 3.722 20 30 DHEDMO COC(=O)c1cccc(C[N@H+](C)[C@H](C)c2ccc(C)cc2)c1C#N ZINC000535221690 334380550 /nfs/dbraw/zinc/38/05/50/334380550.db2.gz RFHRTKKGBNKFSH-OAHLLOKOSA-N 1 1 322.408 3.846 20 30 DHEDMO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)c2ccc(C)cc2)c1C#N ZINC000535221690 334380552 /nfs/dbraw/zinc/38/05/52/334380552.db2.gz RFHRTKKGBNKFSH-OAHLLOKOSA-N 1 1 322.408 3.846 20 30 DHEDMO C=C1CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000341993447 334504305 /nfs/dbraw/zinc/50/43/05/334504305.db2.gz DEKZVJKYRTVTKB-CQSZACIVSA-N 1 1 306.837 3.511 20 30 DHEDMO Cc1ccc(C)n1C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000343730820 335187024 /nfs/dbraw/zinc/18/70/24/335187024.db2.gz YFSJKGPZBAJTJM-UHFFFAOYSA-N 1 1 311.404 3.953 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2ccc(F)cc2C#N)C1 ZINC000344582418 335259971 /nfs/dbraw/zinc/25/99/71/335259971.db2.gz MIYMJBARGCSBPB-KHYOSLBOSA-N 1 1 315.436 3.535 20 30 DHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C1CC(c2ccccc2)C1 ZINC000366892019 335305120 /nfs/dbraw/zinc/30/51/20/335305120.db2.gz CJIXMYLCAWETNA-UHFFFAOYSA-N 1 1 312.457 3.965 20 30 DHEDMO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)CC2(CCCC2)O1 ZINC000190968893 335353712 /nfs/dbraw/zinc/35/37/12/335353712.db2.gz CMKBXYXDMVOHPA-UHFFFAOYSA-N 1 1 302.393 3.621 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)CC2(CCCC2)O1 ZINC000190968893 335353714 /nfs/dbraw/zinc/35/37/14/335353714.db2.gz CMKBXYXDMVOHPA-UHFFFAOYSA-N 1 1 302.393 3.621 20 30 DHEDMO C=CCCOCC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000346643560 335430701 /nfs/dbraw/zinc/43/07/01/335430701.db2.gz SUYBMONGDCCSCQ-GOSISDBHSA-N 1 1 318.367 3.632 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC3(CCOCC3)[C@@H]2C)cc1 ZINC000351606850 336049394 /nfs/dbraw/zinc/04/93/94/336049394.db2.gz VEDAAKYKVFHSCK-INIZCTEOSA-N 1 1 301.430 3.642 20 30 DHEDMO Cc1[nH+]ccn1CCNC(=O)N1CCCC2(CCCCC2)CC1 ZINC000329839217 336088064 /nfs/dbraw/zinc/08/80/64/336088064.db2.gz JAKQMZYUKXBXDS-UHFFFAOYSA-N 1 1 318.465 3.542 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000351912133 336132168 /nfs/dbraw/zinc/13/21/68/336132168.db2.gz FDOLIZQRPIZPJH-ZDUSSCGKSA-N 1 1 309.479 3.765 20 30 DHEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC000330295149 336136603 /nfs/dbraw/zinc/13/66/03/336136603.db2.gz JDQBFPGQFLHNJF-CQSZACIVSA-N 1 1 319.449 3.615 20 30 DHEDMO CC[C@@H]1CCCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000331706378 336145053 /nfs/dbraw/zinc/14/50/53/336145053.db2.gz XDCJZLLBPFFKDL-CQSZACIVSA-N 1 1 305.447 3.603 20 30 DHEDMO CCS[C@H]1CCCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000332232123 336164128 /nfs/dbraw/zinc/16/41/28/336164128.db2.gz PEIHTCBHWOSHDY-JKSUJKDBSA-N 1 1 317.458 3.742 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000352298438 336210855 /nfs/dbraw/zinc/21/08/55/336210855.db2.gz XPUZISRCRDZKPV-DAYGRLMNSA-N 1 1 315.436 3.535 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(OCC)n1 ZINC000352378090 336215196 /nfs/dbraw/zinc/21/51/96/336215196.db2.gz ZQVWJTOFBOSWAH-UHFFFAOYSA-N 1 1 312.413 3.677 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(OCC)n1 ZINC000352378090 336215197 /nfs/dbraw/zinc/21/51/97/336215197.db2.gz ZQVWJTOFBOSWAH-UHFFFAOYSA-N 1 1 312.413 3.677 20 30 DHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(CO)cc1 ZINC000352417974 336217293 /nfs/dbraw/zinc/21/72/93/336217293.db2.gz WZZGCOOVAPBYMG-UHFFFAOYSA-N 1 1 308.425 3.709 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCC=C(c3ccco3)C2)c1 ZINC000352563379 336224768 /nfs/dbraw/zinc/22/47/68/336224768.db2.gz QOUYMWNEDCOYDM-UHFFFAOYSA-N 1 1 308.381 3.709 20 30 DHEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000103139518 336239482 /nfs/dbraw/zinc/23/94/82/336239482.db2.gz SZKJMEAARNCTRI-UHFFFAOYSA-N 1 1 310.372 3.783 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000352806333 336242250 /nfs/dbraw/zinc/24/22/50/336242250.db2.gz UQTMGBDWSPWPIH-HNNXBMFYSA-N 1 1 310.397 3.783 20 30 DHEDMO CC[N@H+](CC(=O)Nc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741559 336242557 /nfs/dbraw/zinc/24/25/57/336242557.db2.gz RBOPXBYITJLISO-OAHLLOKOSA-N 1 1 307.397 3.580 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741559 336242558 /nfs/dbraw/zinc/24/25/58/336242558.db2.gz RBOPXBYITJLISO-OAHLLOKOSA-N 1 1 307.397 3.580 20 30 DHEDMO Cc1ccc(C)c([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)c1 ZINC000532577693 336256272 /nfs/dbraw/zinc/25/62/72/336256272.db2.gz FCILFYJVZINJSX-INIZCTEOSA-N 1 1 321.424 3.807 20 30 DHEDMO N#Cc1cccc(Cl)c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301803016 336331201 /nfs/dbraw/zinc/33/12/01/336331201.db2.gz WSOIISZPHXPKHE-WMLDXEAASA-N 1 1 315.848 3.665 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc2cc(C#N)ccc2n1 ZINC000301979651 336341042 /nfs/dbraw/zinc/34/10/42/336341042.db2.gz PDWWMWPWCVBPJM-OAHLLOKOSA-N 1 1 308.429 3.783 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000302036026 336344622 /nfs/dbraw/zinc/34/46/22/336344622.db2.gz JXUJTEIKDASXHX-JKSUJKDBSA-N 1 1 315.436 3.788 20 30 DHEDMO CC(=O)c1ccc(C#N)c(NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000302106516 336348737 /nfs/dbraw/zinc/34/87/37/336348737.db2.gz NWFXYFQZRWEENO-OAHLLOKOSA-N 1 1 313.445 3.685 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](C[C@H]3CCCC(F)(F)C3)CCO2)c1 ZINC000514108343 336363142 /nfs/dbraw/zinc/36/31/42/336363142.db2.gz YGXDURPVJYNJGO-RDJZCZTQSA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H]3CCCC(F)(F)C3)CCO2)c1 ZINC000514108343 336363143 /nfs/dbraw/zinc/36/31/43/336363143.db2.gz YGXDURPVJYNJGO-RDJZCZTQSA-N 1 1 320.383 3.757 20 30 DHEDMO C=C(C)C[N@H+](CCc1scnc1C)Cc1cnn(C(C)C)c1 ZINC000352903828 336375649 /nfs/dbraw/zinc/37/56/49/336375649.db2.gz RUODCSUFOKGEDN-UHFFFAOYSA-N 1 1 318.490 3.850 20 30 DHEDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)c2nccn21 ZINC000514652621 336393021 /nfs/dbraw/zinc/39/30/21/336393021.db2.gz HHMYGCSLVFNWCD-IINYFYTJSA-N 1 1 320.318 3.569 20 30 DHEDMO COc1cccc(C[NH+]2CCC(C)(C#N)CC2)c1OC(C)C ZINC000356957803 336567375 /nfs/dbraw/zinc/56/73/75/336567375.db2.gz LOAFJIURVPRDSI-UHFFFAOYSA-N 1 1 302.418 3.608 20 30 DHEDMO COCC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccco1 ZINC000358433374 336629764 /nfs/dbraw/zinc/62/97/64/336629764.db2.gz MJEQQFHDEOSWAD-MLGOLLRUSA-N 1 1 302.349 3.719 20 30 DHEDMO COCC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccco1 ZINC000358433375 336629767 /nfs/dbraw/zinc/62/97/67/336629767.db2.gz MJEQQFHDEOSWAD-WBMJQRKESA-N 1 1 302.349 3.719 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(C(F)F)CC2)c(OC(F)F)c1 ZINC000361691882 336769015 /nfs/dbraw/zinc/76/90/15/336769015.db2.gz HMGOHQPIQHZEDR-UHFFFAOYSA-N 1 1 316.298 3.637 20 30 DHEDMO N#CCC1(CNc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000362359716 336793591 /nfs/dbraw/zinc/79/35/91/336793591.db2.gz PDUPCZQKWXAFMW-UHFFFAOYSA-N 1 1 316.202 3.525 20 30 DHEDMO N#CCC[C@H](C#N)C[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000368665448 336850295 /nfs/dbraw/zinc/85/02/95/336850295.db2.gz GMPBGAZIYJOXNN-MRXNPFEDSA-N 1 1 317.383 3.663 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ncc(Cl)s1 ZINC000418153138 336897538 /nfs/dbraw/zinc/89/75/38/336897538.db2.gz YPGQGLAYOBWLRG-ZDUSSCGKSA-N 1 1 303.818 3.835 20 30 DHEDMO N#Cc1c(F)ccc(C[N@@H+]2CCCC3(CCOCC3)C2)c1Cl ZINC000375422524 337010882 /nfs/dbraw/zinc/01/08/82/337010882.db2.gz AHYAVTDIYGAACX-UHFFFAOYSA-N 1 1 322.811 3.743 20 30 DHEDMO N#Cc1c(F)ccc(C[N@H+]2CCCC3(CCOCC3)C2)c1Cl ZINC000375422524 337010883 /nfs/dbraw/zinc/01/08/83/337010883.db2.gz AHYAVTDIYGAACX-UHFFFAOYSA-N 1 1 322.811 3.743 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+]2Cc3ccccc3C3(CCC3)C2)cc1 ZINC000375685743 337016469 /nfs/dbraw/zinc/01/64/69/337016469.db2.gz ULCPNNNLKFPIIX-HXUWFJFHSA-N 1 1 318.420 3.529 20 30 DHEDMO C[N@H+]1CCC[C@H](CNc2cc(C#N)ccn2)[C@@H]1c1cccs1 ZINC000376449695 337033714 /nfs/dbraw/zinc/03/37/14/337033714.db2.gz QINAIQZVJRFNJA-RHSMWYFYSA-N 1 1 312.442 3.510 20 30 DHEDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000376551382 337036563 /nfs/dbraw/zinc/03/65/63/337036563.db2.gz HYCBJHVOARMFJI-FUHWJXTLSA-N 1 1 313.445 3.565 20 30 DHEDMO N#CC1(CCC[N@H+]2CCC3(Cc4ccccc4C3)C2)CCOCC1 ZINC000376748716 337040372 /nfs/dbraw/zinc/04/03/72/337040372.db2.gz CHRZKSSNNCUHIZ-UHFFFAOYSA-N 1 1 324.468 3.578 20 30 DHEDMO CC1=C(C)C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000377085979 337046559 /nfs/dbraw/zinc/04/65/59/337046559.db2.gz GFJUSIICQGVNPS-UHFFFAOYSA-N 1 1 306.413 3.501 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000377132218 337047375 /nfs/dbraw/zinc/04/73/75/337047375.db2.gz XCQFYJZSJWGAME-PWRODBHTSA-N 1 1 320.436 3.882 20 30 DHEDMO CCOC1CC2(C1)CC[N@H+](Cc1ccc(F)c(C#N)c1Cl)C2 ZINC000377697027 337059020 /nfs/dbraw/zinc/05/90/20/337059020.db2.gz IAKJSIYYYAFMCO-UHFFFAOYSA-N 1 1 322.811 3.742 20 30 DHEDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(F)c(C#N)c1Cl)C2 ZINC000377697027 337059021 /nfs/dbraw/zinc/05/90/21/337059021.db2.gz IAKJSIYYYAFMCO-UHFFFAOYSA-N 1 1 322.811 3.742 20 30 DHEDMO Cc1cc([C@H]2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)[nH]n1 ZINC000378166664 337067590 /nfs/dbraw/zinc/06/75/90/337067590.db2.gz BGOKZNJDLIMGRS-KRWDZBQOSA-N 1 1 322.456 3.899 20 30 DHEDMO Cc1cc([C@H]2CCC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)n[nH]1 ZINC000378166664 337067591 /nfs/dbraw/zinc/06/75/91/337067591.db2.gz BGOKZNJDLIMGRS-KRWDZBQOSA-N 1 1 322.456 3.899 20 30 DHEDMO Cc1cc([C@H]2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)n[nH]1 ZINC000378166664 337067592 /nfs/dbraw/zinc/06/75/92/337067592.db2.gz BGOKZNJDLIMGRS-KRWDZBQOSA-N 1 1 322.456 3.899 20 30 DHEDMO COc1ccc([C@@H](O)[C@H]2CCC[N@H+]2CCCC(C)(C)C#N)cc1 ZINC000378248068 337068729 /nfs/dbraw/zinc/06/87/29/337068729.db2.gz MPQHHEJPLKQHIE-QZTJIDSGSA-N 1 1 316.445 3.523 20 30 DHEDMO C=CC[N@H+](Cc1cc(-c2cccnc2)n[nH]1)Cc1ccccc1 ZINC000378334067 337070135 /nfs/dbraw/zinc/07/01/35/337070135.db2.gz NUODDBOFYHQXAC-UHFFFAOYSA-N 1 1 304.397 3.660 20 30 DHEDMO C=CC[N@@H+](Cc1cc(-c2cccnc2)n[nH]1)Cc1ccccc1 ZINC000378334067 337070136 /nfs/dbraw/zinc/07/01/36/337070136.db2.gz NUODDBOFYHQXAC-UHFFFAOYSA-N 1 1 304.397 3.660 20 30 DHEDMO C[C@H]([NH2+]C[C@H]1CCN(C)[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000378515174 337074919 /nfs/dbraw/zinc/07/49/19/337074919.db2.gz FXHWLNLYEQABJS-DQLDELGASA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@H](NC[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000378515174 337074920 /nfs/dbraw/zinc/07/49/20/337074920.db2.gz FXHWLNLYEQABJS-DQLDELGASA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@H](NC[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000378515174 337074921 /nfs/dbraw/zinc/07/49/21/337074921.db2.gz FXHWLNLYEQABJS-DQLDELGASA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](n2cc3ccccc3n2)C1 ZINC000378574144 337075900 /nfs/dbraw/zinc/07/59/00/337075900.db2.gz GGTDEUIDTBYLDB-KXBFYZLASA-N 1 1 316.408 3.916 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000360037900 337084121 /nfs/dbraw/zinc/08/41/21/337084121.db2.gz SLDWHHVJMYGRIT-GDBMZVCRSA-N 1 1 300.402 3.682 20 30 DHEDMO CCOC(=O)CCCC[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000172621576 337130387 /nfs/dbraw/zinc/13/03/87/337130387.db2.gz UNAHNPVEAGBXRX-HNNXBMFYSA-N 1 1 302.418 3.675 20 30 DHEDMO N#CCCCC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175452513 337147461 /nfs/dbraw/zinc/14/74/61/337147461.db2.gz VGRYGZDJIBTSNS-HNNXBMFYSA-N 1 1 312.335 3.773 20 30 DHEDMO N#CCCCC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175452513 337147462 /nfs/dbraw/zinc/14/74/62/337147462.db2.gz VGRYGZDJIBTSNS-HNNXBMFYSA-N 1 1 312.335 3.773 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000321013642 337170451 /nfs/dbraw/zinc/17/04/51/337170451.db2.gz ABBAFAWBXRKMKT-CQSZACIVSA-N 1 1 312.388 3.769 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCSC[C@@H]2C)ccc1OC ZINC000179666368 337171011 /nfs/dbraw/zinc/17/10/11/337171011.db2.gz IYPMUIMFNFBPPP-AWEZNQCLSA-N 1 1 307.459 3.587 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1cc(OC)ccc1OCc1ccccn1 ZINC000181045707 337179492 /nfs/dbraw/zinc/17/94/92/337179492.db2.gz ZJJBQKRHJPVKOL-UHFFFAOYSA-N 1 1 312.413 3.677 20 30 DHEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000181579110 337183187 /nfs/dbraw/zinc/18/31/87/337183187.db2.gz KJPJYDUGOUSRIF-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)Cc2cccnc2)cc1Cl ZINC000182027323 337185934 /nfs/dbraw/zinc/18/59/34/337185934.db2.gz SMPNBLKIDCXQBA-UHFFFAOYSA-N 1 1 302.805 3.932 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cccnc2)cc1Cl ZINC000182027323 337185935 /nfs/dbraw/zinc/18/59/35/337185935.db2.gz SMPNBLKIDCXQBA-UHFFFAOYSA-N 1 1 302.805 3.932 20 30 DHEDMO Cn1cc(C[N@@H+](C)Cc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000183242602 337192405 /nfs/dbraw/zinc/19/24/05/337192405.db2.gz QPEDLUNARRYMKF-UHFFFAOYSA-N 1 1 316.408 3.591 20 30 DHEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000583136833 337243386 /nfs/dbraw/zinc/24/33/86/337243386.db2.gz UZBIGKYCYIZCIB-RDJZCZTQSA-N 1 1 316.445 3.846 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000185985772 337253737 /nfs/dbraw/zinc/25/37/37/337253737.db2.gz SZVAQJBWYODTJI-GJZGRUSLSA-N 1 1 311.429 3.960 20 30 DHEDMO C[C@@H]1CCCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000187938588 337268869 /nfs/dbraw/zinc/26/88/69/337268869.db2.gz LRUNERISWYWXGI-OAHLLOKOSA-N 1 1 308.429 3.581 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(N(C)CC)nc1 ZINC000191187131 337292874 /nfs/dbraw/zinc/29/28/74/337292874.db2.gz KQSUQDKJGOJNJL-UHFFFAOYSA-N 1 1 301.459 3.787 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(N(C)CC)nc1 ZINC000191187131 337292875 /nfs/dbraw/zinc/29/28/75/337292875.db2.gz KQSUQDKJGOJNJL-UHFFFAOYSA-N 1 1 301.459 3.787 20 30 DHEDMO CCOc1ccc(C2=CC[N@@H+](Cc3cc(C#N)n(C)c3)CC2)cc1 ZINC000191466458 337297270 /nfs/dbraw/zinc/29/72/70/337297270.db2.gz AVRJUQPNFQVNBW-UHFFFAOYSA-N 1 1 321.424 3.585 20 30 DHEDMO CC(C)[N@@H+](CCc1nccs1)Cc1ccc(C#N)c(F)c1 ZINC000192129310 337303144 /nfs/dbraw/zinc/30/31/44/337303144.db2.gz QSUSXMBKGZWVQR-UHFFFAOYSA-N 1 1 303.406 3.607 20 30 DHEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(F)c1 ZINC000584474367 337346069 /nfs/dbraw/zinc/34/60/69/337346069.db2.gz ORBRJOGIFRKXFV-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(F)c1 ZINC000584474367 337346070 /nfs/dbraw/zinc/34/60/70/337346070.db2.gz ORBRJOGIFRKXFV-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000584612394 337372429 /nfs/dbraw/zinc/37/24/29/337372429.db2.gz UTITUOFOYXGCIG-CQSZACIVSA-N 1 1 324.877 3.543 20 30 DHEDMO C=CCC[C@H](N[C@@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423004891 337695360 /nfs/dbraw/zinc/69/53/60/337695360.db2.gz QENFONUPCLUZRQ-LRDDRELGSA-N 1 1 312.379 3.910 20 30 DHEDMO C=CCn1cc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)nn1 ZINC000424294282 337816723 /nfs/dbraw/zinc/81/67/23/337816723.db2.gz KFIOBVFPTHUSKN-SFHVURJKSA-N 1 1 314.408 3.624 20 30 DHEDMO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(SC(C)C)cc2)nn1 ZINC000424295103 337816956 /nfs/dbraw/zinc/81/69/56/337816956.db2.gz MEKUBILZWMHNQK-AWEZNQCLSA-N 1 1 316.474 3.815 20 30 DHEDMO C[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000216382443 337898587 /nfs/dbraw/zinc/89/85/87/337898587.db2.gz CNJQAHCUWQQRNR-JXFKEZNVSA-N 1 1 323.415 3.769 20 30 DHEDMO Cc1ccc(C)c(OC2CC[NH+](Cc3ccc(C#N)o3)CC2)c1 ZINC000092423983 337904090 /nfs/dbraw/zinc/90/40/90/337904090.db2.gz ISWHRJDUQOUAAC-UHFFFAOYSA-N 1 1 310.397 3.812 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000084134466 338000306 /nfs/dbraw/zinc/00/03/06/338000306.db2.gz HIUAANCOGALRAM-IBGZPJMESA-N 1 1 324.399 3.531 20 30 DHEDMO C[C@H](O)C[N@@H+](CCC1(C#N)CCCCC1)Cc1ccccc1 ZINC000516255212 338009004 /nfs/dbraw/zinc/00/90/04/338009004.db2.gz LYVDMBWJGWBEAJ-KRWDZBQOSA-N 1 1 300.446 3.734 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)o1)Cc1ccc(Br)c(F)c1 ZINC000426384310 338029895 /nfs/dbraw/zinc/02/98/95/338029895.db2.gz GHTFKFWDWZNICW-UHFFFAOYSA-N 1 1 323.165 3.685 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(Br)c(F)c1 ZINC000426384310 338029896 /nfs/dbraw/zinc/02/98/96/338029896.db2.gz GHTFKFWDWZNICW-UHFFFAOYSA-N 1 1 323.165 3.685 20 30 DHEDMO COCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(C)C ZINC000426386181 338029923 /nfs/dbraw/zinc/02/99/23/338029923.db2.gz VXCJUKCGGHRVLL-UHFFFAOYSA-N 1 1 313.363 3.661 20 30 DHEDMO CC[C@H]1CCCCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000426456690 338032620 /nfs/dbraw/zinc/03/26/20/338032620.db2.gz DRJKHRFYISMEHR-AWEZNQCLSA-N 1 1 319.474 3.830 20 30 DHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000426458361 338032744 /nfs/dbraw/zinc/03/27/44/338032744.db2.gz JHCJFHHASODFPF-GDBMZVCRSA-N 1 1 309.331 3.811 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]32)c(Br)c1 ZINC000426522510 338034138 /nfs/dbraw/zinc/03/41/38/338034138.db2.gz KHFNEPRYEUJXBO-DOMZBBRYSA-N 1 1 305.219 3.695 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000428215255 338042500 /nfs/dbraw/zinc/04/25/00/338042500.db2.gz ACVRLJZOOJCDFV-UHFFFAOYSA-N 1 1 304.434 3.949 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000428215255 338042501 /nfs/dbraw/zinc/04/25/01/338042501.db2.gz ACVRLJZOOJCDFV-UHFFFAOYSA-N 1 1 304.434 3.949 20 30 DHEDMO CCC[N@@H+](Cc1cccc(F)c1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000428220054 338042885 /nfs/dbraw/zinc/04/28/85/338042885.db2.gz ZZZBQNCOSSTLGO-OLMNPRSZSA-N 1 1 316.420 3.723 20 30 DHEDMO COc1ccc([C@@H]([NH2+]Cc2cccc(F)c2C#N)C2CC2)cc1 ZINC000428340356 338047861 /nfs/dbraw/zinc/04/78/61/338047861.db2.gz IOFRBUVDGKHZOB-IBGZPJMESA-N 1 1 310.372 3.947 20 30 DHEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428395592 338049944 /nfs/dbraw/zinc/04/99/44/338049944.db2.gz BXMDDUAJVVOCQI-QGZVFWFLSA-N 1 1 324.399 3.913 20 30 DHEDMO CC#CCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428778969 338060952 /nfs/dbraw/zinc/06/09/52/338060952.db2.gz DHDUZESZMHEXNO-BBRMVZONSA-N 1 1 311.347 3.881 20 30 DHEDMO CC#CCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000428778969 338060953 /nfs/dbraw/zinc/06/09/53/338060953.db2.gz DHDUZESZMHEXNO-BBRMVZONSA-N 1 1 311.347 3.881 20 30 DHEDMO CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)c1ccccc1 ZINC000428851562 338062445 /nfs/dbraw/zinc/06/24/45/338062445.db2.gz RXUDLVLIWRZOTC-VQIMIIECSA-N 1 1 315.461 3.512 20 30 DHEDMO CC(C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC000428874373 338064072 /nfs/dbraw/zinc/06/40/72/338064072.db2.gz ZPBWDABKOBKXLO-MRXNPFEDSA-N 1 1 321.424 3.968 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429141967 338071664 /nfs/dbraw/zinc/07/16/64/338071664.db2.gz MIMVMBHLTWUWTL-GOEBONIOSA-N 1 1 311.878 3.834 20 30 DHEDMO COc1ccc(Br)c(C[N@@H+](C)CCCCC#N)c1 ZINC000429305089 338077176 /nfs/dbraw/zinc/07/71/76/338077176.db2.gz BZLNOLGUEKEICH-UHFFFAOYSA-N 1 1 311.223 3.583 20 30 DHEDMO Cc1ccoc1C[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000429405481 338079912 /nfs/dbraw/zinc/07/99/12/338079912.db2.gz WKRRGEOPPWVGGO-UHFFFAOYSA-N 1 1 323.314 3.970 20 30 DHEDMO Cc1ccoc1C[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000429405481 338079913 /nfs/dbraw/zinc/07/99/13/338079913.db2.gz WKRRGEOPPWVGGO-UHFFFAOYSA-N 1 1 323.314 3.970 20 30 DHEDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000429566381 338084183 /nfs/dbraw/zinc/08/41/83/338084183.db2.gz JSUIHHBVEMXDQG-KBXCAEBGSA-N 1 1 308.429 3.579 20 30 DHEDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000429566386 338084327 /nfs/dbraw/zinc/08/43/27/338084327.db2.gz JSUIHHBVEMXDQG-RDTXWAMCSA-N 1 1 308.429 3.579 20 30 DHEDMO Cc1cc(C)c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1C ZINC000430176580 338099817 /nfs/dbraw/zinc/09/98/17/338099817.db2.gz IIDOBRTVPCBDJE-IBGZPJMESA-N 1 1 321.424 3.532 20 30 DHEDMO CCCc1cccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000430185370 338100000 /nfs/dbraw/zinc/10/00/00/338100000.db2.gz HFRVDYKLQDURRJ-LJQANCHMSA-N 1 1 321.424 3.559 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000430284366 338104390 /nfs/dbraw/zinc/10/43/90/338104390.db2.gz NNKVTHYQNFAZKR-ZBFHGGJFSA-N 1 1 318.486 3.549 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000430284365 338104435 /nfs/dbraw/zinc/10/44/35/338104435.db2.gz NNKVTHYQNFAZKR-HOCLYGCPSA-N 1 1 318.486 3.549 20 30 DHEDMO COCC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCCSC1 ZINC000433181088 338184450 /nfs/dbraw/zinc/18/44/50/338184450.db2.gz JILYTKWHXASQHF-MRXNPFEDSA-N 1 1 324.877 3.556 20 30 DHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000433204708 338185784 /nfs/dbraw/zinc/18/57/84/338185784.db2.gz CJSXCRCRDWKYRJ-LJQANCHMSA-N 1 1 319.408 3.724 20 30 DHEDMO N#CCC[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccccc1 ZINC000433328434 338192612 /nfs/dbraw/zinc/19/26/12/338192612.db2.gz DBZJKCTUQOVUAG-INIZCTEOSA-N 1 1 306.369 3.804 20 30 DHEDMO CC1(C)C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCS1 ZINC000434906452 338227731 /nfs/dbraw/zinc/22/77/31/338227731.db2.gz WOQOPEAIVDUVEE-UHFFFAOYSA-N 1 1 313.388 3.884 20 30 DHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000435066898 338231412 /nfs/dbraw/zinc/23/14/12/338231412.db2.gz WYFRSEGDXUJSSG-WMZOPIPTSA-N 1 1 314.429 3.530 20 30 DHEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000435066898 338231413 /nfs/dbraw/zinc/23/14/13/338231413.db2.gz WYFRSEGDXUJSSG-WMZOPIPTSA-N 1 1 314.429 3.530 20 30 DHEDMO C[C@H](C1CC1)[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000437393580 338308715 /nfs/dbraw/zinc/30/87/15/338308715.db2.gz GPZFCVPNYMQZQH-LLVKDONJSA-N 1 1 306.356 3.923 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c(OC(F)F)c1 ZINC000437657231 338317428 /nfs/dbraw/zinc/31/74/28/338317428.db2.gz UOCMYASQGKEODP-OKILXGFUSA-N 1 1 306.356 3.782 20 30 DHEDMO C=CCCC1(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437865514 338323790 /nfs/dbraw/zinc/32/37/90/338323790.db2.gz VFGZKVYZKSIRTI-KRWDZBQOSA-N 1 1 304.478 3.646 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000438062556 338329478 /nfs/dbraw/zinc/32/94/78/338329478.db2.gz WTUVDDKWYCSZAR-GOSISDBHSA-N 1 1 306.409 3.631 20 30 DHEDMO CCC1(CC)CC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000438489628 338346017 /nfs/dbraw/zinc/34/60/17/338346017.db2.gz GOYREJGEJOLMHD-ZDUSSCGKSA-N 1 1 317.433 3.607 20 30 DHEDMO CCC1(CC)CC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000438489628 338346018 /nfs/dbraw/zinc/34/60/18/338346018.db2.gz GOYREJGEJOLMHD-ZDUSSCGKSA-N 1 1 317.433 3.607 20 30 DHEDMO C[N@H+](CCOc1ccc(F)cc1)Cc1ccc(C#N)cc1Cl ZINC000439427118 338369118 /nfs/dbraw/zinc/36/91/18/338369118.db2.gz AMKPEAIWZOYJQK-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1ccc(C#N)cc1Cl ZINC000439427118 338369119 /nfs/dbraw/zinc/36/91/19/338369119.db2.gz AMKPEAIWZOYJQK-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO COc1ccc(C2([NH2+]Cc3ccc(C#N)cc3Cl)CC2)cc1 ZINC000439447987 338369798 /nfs/dbraw/zinc/36/97/98/338369798.db2.gz GMWZNSUDNRWBSK-UHFFFAOYSA-N 1 1 312.800 3.999 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)c(Cl)c1 ZINC000439448882 338369883 /nfs/dbraw/zinc/36/98/83/338369883.db2.gz GXSNLLAWYVRMQQ-KRWDZBQOSA-N 1 1 304.821 3.603 20 30 DHEDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439456688 338370151 /nfs/dbraw/zinc/37/01/51/338370151.db2.gz ZFEOMCZQMSWCCN-AWEZNQCLSA-N 1 1 306.837 3.850 20 30 DHEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000440763972 338396672 /nfs/dbraw/zinc/39/66/72/338396672.db2.gz UCFOLNDCUQPVPS-MLGOLLRUSA-N 1 1 317.433 3.607 20 30 DHEDMO C[C@@H]1C[C@@H](C)CN(C(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449094963 338593072 /nfs/dbraw/zinc/59/30/72/338593072.db2.gz VGVLGJRRCVHKGL-HNXFYBAISA-N 1 1 305.510 3.805 20 30 DHEDMO C=CCC1(C(=O)N2CCC[C@H](n3cc[nH+]c3CC)C2)CCCC1 ZINC000449845548 338655555 /nfs/dbraw/zinc/65/55/55/338655555.db2.gz QEQJQCLZMDFPFG-INIZCTEOSA-N 1 1 315.461 3.746 20 30 DHEDMO COc1cccc(C2(F)CC[NH+](CC3(C#N)CCC3)CC2)c1 ZINC000450910431 338711930 /nfs/dbraw/zinc/71/19/30/338711930.db2.gz VGKMVEPKBXKGAV-UHFFFAOYSA-N 1 1 302.393 3.650 20 30 DHEDMO Cc1cccc([C@H]2CC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)c1 ZINC000459406216 339027314 /nfs/dbraw/zinc/02/73/14/339027314.db2.gz JBHVHTFBALQFPS-KRWDZBQOSA-N 1 1 321.380 3.764 20 30 DHEDMO Oc1ccc2c(c1)C1(CC1)C[N@@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000463423935 339117283 /nfs/dbraw/zinc/11/72/83/339117283.db2.gz JQQIBXIHKSCUAA-UHFFFAOYSA-N 1 1 323.823 3.945 20 30 DHEDMO Oc1ccc2c(c1)C1(CC1)C[N@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000463423935 339117284 /nfs/dbraw/zinc/11/72/84/339117284.db2.gz JQQIBXIHKSCUAA-UHFFFAOYSA-N 1 1 323.823 3.945 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOc1cccc(F)c1 ZINC000464821570 339155321 /nfs/dbraw/zinc/15/53/21/339155321.db2.gz IAANDQVAMSLMGQ-WOJBJXKFSA-N 1 1 324.399 3.976 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOc1cccc(F)c1 ZINC000464821570 339155322 /nfs/dbraw/zinc/15/53/22/339155322.db2.gz IAANDQVAMSLMGQ-WOJBJXKFSA-N 1 1 324.399 3.976 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOc1ccc(F)cc1 ZINC000464826688 339155722 /nfs/dbraw/zinc/15/57/22/339155722.db2.gz FBOQNLCOQQSMPX-UXHICEINSA-N 1 1 324.399 3.976 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOc1ccc(F)cc1 ZINC000464826688 339155723 /nfs/dbraw/zinc/15/57/23/339155723.db2.gz FBOQNLCOQQSMPX-UXHICEINSA-N 1 1 324.399 3.976 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000466553624 339209095 /nfs/dbraw/zinc/20/90/95/339209095.db2.gz XEOSSNXUOFTABN-HNNXBMFYSA-N 1 1 300.446 3.864 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000467296118 339230233 /nfs/dbraw/zinc/23/02/33/339230233.db2.gz ZAKOSIPNIULMRM-LLVKDONJSA-N 1 1 315.244 3.679 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000467302124 339230460 /nfs/dbraw/zinc/23/04/60/339230460.db2.gz VXHDKTUBSUUBRZ-UHFFFAOYSA-N 1 1 320.742 3.805 20 30 DHEDMO C=CCC[N@@H+](C)Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000467386882 339235974 /nfs/dbraw/zinc/23/59/74/339235974.db2.gz BNUDKAAQGSHLBE-UHFFFAOYSA-N 1 1 311.216 3.582 20 30 DHEDMO C=CCC[N@H+](C)Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000467386882 339235975 /nfs/dbraw/zinc/23/59/75/339235975.db2.gz BNUDKAAQGSHLBE-UHFFFAOYSA-N 1 1 311.216 3.582 20 30 DHEDMO C=CCC(CC=C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000467528299 339240878 /nfs/dbraw/zinc/24/08/78/339240878.db2.gz FJJLNMZRTCWRSA-INIZCTEOSA-N 1 1 306.494 3.772 20 30 DHEDMO C=C[C@](C)(CC)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000467904729 339249001 /nfs/dbraw/zinc/24/90/01/339249001.db2.gz WBZWCZMRANWJSK-UYAOXDASSA-N 1 1 314.473 3.616 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000468107668 339254170 /nfs/dbraw/zinc/25/41/70/339254170.db2.gz GYWCCJLCIVDFMF-KVSKMBFKSA-N 1 1 300.446 3.540 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC000468798817 339271165 /nfs/dbraw/zinc/27/11/65/339271165.db2.gz CIDNTZONXQKDOK-UHFFFAOYSA-N 1 1 312.388 3.771 20 30 DHEDMO CC(C)C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000468962078 339276171 /nfs/dbraw/zinc/27/61/71/339276171.db2.gz NUPWQPZRJYKUMP-HZPDHXFCSA-N 1 1 313.445 3.643 20 30 DHEDMO C[C@H](C[N@H+](C)CC1(C#N)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469748202 339297661 /nfs/dbraw/zinc/29/76/61/339297661.db2.gz IKFHXKZJVRCRNR-LLVKDONJSA-N 1 1 313.228 3.996 20 30 DHEDMO C[C@H](C[N@@H+](C)CC1(C#N)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469748202 339297662 /nfs/dbraw/zinc/29/76/62/339297662.db2.gz IKFHXKZJVRCRNR-LLVKDONJSA-N 1 1 313.228 3.996 20 30 DHEDMO Fc1ccccc1CO[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000470913927 339330996 /nfs/dbraw/zinc/33/09/96/339330996.db2.gz UFHUDICUQNSALW-FQEVSTJZSA-N 1 1 323.411 3.858 20 30 DHEDMO Fc1ccccc1CO[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000470913927 339330997 /nfs/dbraw/zinc/33/09/97/339330997.db2.gz UFHUDICUQNSALW-FQEVSTJZSA-N 1 1 323.411 3.858 20 30 DHEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000470960687 339332844 /nfs/dbraw/zinc/33/28/44/339332844.db2.gz TXHMGSAOBLWLEZ-RISCZKNCSA-N 1 1 301.739 3.964 20 30 DHEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000470960687 339332845 /nfs/dbraw/zinc/33/28/45/339332845.db2.gz TXHMGSAOBLWLEZ-RISCZKNCSA-N 1 1 301.739 3.964 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000472438841 339371609 /nfs/dbraw/zinc/37/16/09/339371609.db2.gz IUTPHBHEHYYLFH-CYBMUJFWSA-N 1 1 300.229 3.679 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000472438841 339371610 /nfs/dbraw/zinc/37/16/10/339371610.db2.gz IUTPHBHEHYYLFH-CYBMUJFWSA-N 1 1 300.229 3.679 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000472775597 339377205 /nfs/dbraw/zinc/37/72/05/339377205.db2.gz QCDLHNRVASPFCZ-HNNXBMFYSA-N 1 1 313.363 3.997 20 30 DHEDMO Cc1ccc(OC2CC[NH+](CC#Cc3ccccc3)CC2)cc1 ZINC000483961461 339678772 /nfs/dbraw/zinc/67/87/72/339678772.db2.gz UWLKQGGKCVFEQH-UHFFFAOYSA-N 1 1 305.421 3.890 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccc(C(C)C)cc2)C1=O ZINC000499584177 340039954 /nfs/dbraw/zinc/03/99/54/340039954.db2.gz REZKMNWRMYCCNK-MOPGFXCFSA-N 1 1 312.457 3.734 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2ccc(C(C)C)cc2)C1=O ZINC000499584178 340040010 /nfs/dbraw/zinc/04/00/10/340040010.db2.gz REZKMNWRMYCCNK-OALUTQOASA-N 1 1 312.457 3.734 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000501199531 340076111 /nfs/dbraw/zinc/07/61/11/340076111.db2.gz AQXDLNWAUOMCEL-KXBFYZLASA-N 1 1 306.409 3.945 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000501245367 340077028 /nfs/dbraw/zinc/07/70/28/340077028.db2.gz XORODZBBCKABCT-MRXNPFEDSA-N 1 1 310.372 3.695 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1cccc(Cl)c1 ZINC000501378157 340079499 /nfs/dbraw/zinc/07/94/99/340079499.db2.gz USEXTRCHLYNPTC-AWEZNQCLSA-N 1 1 308.853 3.585 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1cccc(Cl)c1 ZINC000501378157 340079500 /nfs/dbraw/zinc/07/95/00/340079500.db2.gz USEXTRCHLYNPTC-AWEZNQCLSA-N 1 1 308.853 3.585 20 30 DHEDMO C[NH+](C)CCCC1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000501783854 340088706 /nfs/dbraw/zinc/08/87/06/340088706.db2.gz AXKFAUSRDBDRTA-UHFFFAOYSA-N 1 1 318.892 3.745 20 30 DHEDMO C=CC[N@H+](CC(=O)NC1CCCCCC1)Cc1ccccc1 ZINC000502332253 340100047 /nfs/dbraw/zinc/10/00/47/340100047.db2.gz KYRQGTSCFRZLGQ-UHFFFAOYSA-N 1 1 300.446 3.514 20 30 DHEDMO C=CC[N@@H+](CC(=O)NC1CCCCCC1)Cc1ccccc1 ZINC000502332253 340100048 /nfs/dbraw/zinc/10/00/48/340100048.db2.gz KYRQGTSCFRZLGQ-UHFFFAOYSA-N 1 1 300.446 3.514 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@H](COc3ccccc3)C2)c1F ZINC000505812663 340178604 /nfs/dbraw/zinc/17/86/04/340178604.db2.gz OQNFWYQFTKIATC-HNNXBMFYSA-N 1 1 310.372 3.598 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505814386 340178613 /nfs/dbraw/zinc/17/86/13/340178613.db2.gz WTROICLHQREEFV-HNNXBMFYSA-N 1 1 310.372 3.598 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505814386 340178614 /nfs/dbraw/zinc/17/86/14/340178614.db2.gz WTROICLHQREEFV-HNNXBMFYSA-N 1 1 310.372 3.598 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](COc3ccccc3)C2)c(F)c1 ZINC000505822901 340178912 /nfs/dbraw/zinc/17/89/12/340178912.db2.gz AYGHODORZLSYRA-INIZCTEOSA-N 1 1 310.372 3.598 20 30 DHEDMO C=CCCC[C@H](C)[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000506047332 340184170 /nfs/dbraw/zinc/18/41/70/340184170.db2.gz KCXHMMSBWAIJRD-SFHVURJKSA-N 1 1 308.510 3.556 20 30 DHEDMO CCCOc1ccc(OCC[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000506132149 340186422 /nfs/dbraw/zinc/18/64/22/340186422.db2.gz SEGNPSQUJKEHEB-UHFFFAOYSA-N 1 1 324.424 3.858 20 30 DHEDMO CC[N@H+](CCOc1cccc(C#N)c1)Cc1c(F)cccc1F ZINC000507260268 340216085 /nfs/dbraw/zinc/21/60/85/340216085.db2.gz HVTAHPOMCRPWKB-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO CC[N@@H+](CCOc1cccc(C#N)c1)Cc1c(F)cccc1F ZINC000507260268 340216086 /nfs/dbraw/zinc/21/60/86/340216086.db2.gz HVTAHPOMCRPWKB-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCO[C@@H](CC)C1 ZINC000507779030 340231068 /nfs/dbraw/zinc/23/10/68/340231068.db2.gz TYQSNCBSQXMOHI-WMZOPIPTSA-N 1 1 318.417 3.788 20 30 DHEDMO C=CC[C@H]1N(C(=O)CC[C@H]2CCCC[N@@H+]2C)CCCC1(C)C ZINC000509092295 340261038 /nfs/dbraw/zinc/26/10/38/340261038.db2.gz GDXUXEJNQSUVPO-IAGOWNOFSA-N 1 1 306.494 3.844 20 30 DHEDMO C=C(C)CN(Cc1ccccc1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000509410815 340268563 /nfs/dbraw/zinc/26/85/63/340268563.db2.gz MAISNGUJBVPXNI-LJQANCHMSA-N 1 1 314.473 3.856 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000302736184 340280273 /nfs/dbraw/zinc/28/02/73/340280273.db2.gz DIXFBPJDCOYFFO-AWEZNQCLSA-N 1 1 304.459 3.778 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000302736184 340280274 /nfs/dbraw/zinc/28/02/74/340280274.db2.gz DIXFBPJDCOYFFO-AWEZNQCLSA-N 1 1 304.459 3.778 20 30 DHEDMO C=CC[N@@H+](CCC(=O)Nc1ccccc1)CCc1ccccc1 ZINC000302963429 340290778 /nfs/dbraw/zinc/29/07/78/340290778.db2.gz GZWGDZQDCLUGJX-UHFFFAOYSA-N 1 1 308.425 3.746 20 30 DHEDMO C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)CC1CC1 ZINC000510428083 340299133 /nfs/dbraw/zinc/29/91/33/340299133.db2.gz GYQGJWSKOKDINI-UHFFFAOYSA-N 1 1 306.409 3.979 20 30 DHEDMO C[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)CC1CC1 ZINC000510443189 340299546 /nfs/dbraw/zinc/29/95/46/340299546.db2.gz KQHVYARBWCVOFL-UHFFFAOYSA-N 1 1 306.409 3.979 20 30 DHEDMO C=C(C)CC[N@H+](CCOC)Cc1cc(Br)cs1 ZINC000510760629 340310134 /nfs/dbraw/zinc/31/01/34/340310134.db2.gz CGNYOZDSUJAJOW-UHFFFAOYSA-N 1 1 318.280 3.925 20 30 DHEDMO CSc1ccccc1C[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000511114143 340321135 /nfs/dbraw/zinc/32/11/35/340321135.db2.gz GZOBKEINHAENLJ-UHFFFAOYSA-N 1 1 312.438 3.791 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1CCCC(F)(F)C1 ZINC000512161063 340350271 /nfs/dbraw/zinc/35/02/71/340350271.db2.gz CTOMMUAXOJUKAE-AWEZNQCLSA-N 1 1 313.388 3.976 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCc2ccc(F)cc21 ZINC000512196725 340351963 /nfs/dbraw/zinc/35/19/63/340351963.db2.gz QVLRLNAMOAEQFW-IBGZPJMESA-N 1 1 315.388 3.977 20 30 DHEDMO C[C@H](NCC[N@@H+](C)C1CCCCC1)c1ccc(C#N)cc1F ZINC000512614631 340369058 /nfs/dbraw/zinc/36/90/58/340369058.db2.gz WQNFOCICAKCMHB-AWEZNQCLSA-N 1 1 303.425 3.612 20 30 DHEDMO C[C@@H](N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(C#N)cc1F ZINC000512632027 340370035 /nfs/dbraw/zinc/37/00/35/340370035.db2.gz VZCTYECIZYMRDR-PBHICJAKSA-N 1 1 315.436 3.612 20 30 DHEDMO C[C@H](NCC(C)(C)[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512659938 340371600 /nfs/dbraw/zinc/37/16/00/340371600.db2.gz KKJKJXFUDPCBNI-GJZGRUSLSA-N 1 1 317.452 3.858 20 30 DHEDMO C[C@H]([NH2+]CC(C)(C)N1CCC[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512659938 340371601 /nfs/dbraw/zinc/37/16/01/340371601.db2.gz KKJKJXFUDPCBNI-GJZGRUSLSA-N 1 1 317.452 3.858 20 30 DHEDMO C[C@@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512666197 340372089 /nfs/dbraw/zinc/37/20/89/340372089.db2.gz JFCKDTJZWSOXEA-QLFBSQMISA-N 1 1 303.425 3.611 20 30 DHEDMO C[C@@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512666197 340372090 /nfs/dbraw/zinc/37/20/90/340372090.db2.gz JFCKDTJZWSOXEA-QLFBSQMISA-N 1 1 303.425 3.611 20 30 DHEDMO COc1cccc(C2=CC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000512668714 340372252 /nfs/dbraw/zinc/37/22/52/340372252.db2.gz NFQZJWIAMJECBV-UHFFFAOYSA-N 1 1 304.393 3.856 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc2c(c1)OCO2 ZINC000187409950 340519907 /nfs/dbraw/zinc/51/99/07/340519907.db2.gz QQSQBOODOHDGIW-LLVKDONJSA-N 1 1 314.772 3.791 20 30 DHEDMO N#Cc1ccccc1C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000528572974 340724479 /nfs/dbraw/zinc/72/44/79/340724479.db2.gz VERNNWMBMLKTPU-UHFFFAOYSA-N 1 1 310.372 3.741 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC000542626794 341015229 /nfs/dbraw/zinc/01/52/29/341015229.db2.gz LMEQOVVCHUJPJD-OAQYLSRUSA-N 1 1 320.436 3.586 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC000542626794 341015230 /nfs/dbraw/zinc/01/52/30/341015230.db2.gz LMEQOVVCHUJPJD-OAQYLSRUSA-N 1 1 320.436 3.586 20 30 DHEDMO N#CCC1CC[NH+](Cc2nnc(-c3ccccc3Cl)o2)CC1 ZINC000542883043 341025214 /nfs/dbraw/zinc/02/52/14/341025214.db2.gz HNUQKYNAHLCKSZ-UHFFFAOYSA-N 1 1 316.792 3.516 20 30 DHEDMO Cc1cccc(-c2n[nH]cc2C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000130764101 341041404 /nfs/dbraw/zinc/04/14/04/341041404.db2.gz SIFGKRRSEOLBLF-UHFFFAOYSA-N 1 1 316.408 3.889 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(OCCCC#N)c1 ZINC000131173303 341063672 /nfs/dbraw/zinc/06/36/72/341063672.db2.gz JDELDCVBSHXEPK-UHFFFAOYSA-N 1 1 319.408 3.873 20 30 DHEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000544068356 341069034 /nfs/dbraw/zinc/06/90/34/341069034.db2.gz JUBTZTOPGURPID-FOIQADDNSA-N 1 1 306.409 3.577 20 30 DHEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000072775004 341105282 /nfs/dbraw/zinc/10/52/82/341105282.db2.gz RMMKVFIMEFJSQE-MAUKXSAKSA-N 1 1 313.445 3.787 20 30 DHEDMO CC(C)(C#N)CC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000131770546 341111483 /nfs/dbraw/zinc/11/14/83/341111483.db2.gz KMQYHEIJMNHSRC-SFHVURJKSA-N 1 1 300.446 3.688 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C)C(C)(C)C2)c(C#N)c1C ZINC000545421462 341124661 /nfs/dbraw/zinc/12/46/61/341124661.db2.gz ZSRHMTHCXYQVTD-LLVKDONJSA-N 1 1 319.474 3.543 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C)C(C)(C)C2)c(C#N)c1C ZINC000545421462 341124662 /nfs/dbraw/zinc/12/46/62/341124662.db2.gz ZSRHMTHCXYQVTD-LLVKDONJSA-N 1 1 319.474 3.543 20 30 DHEDMO CCCC[N@@H+](CC)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000132669481 341139053 /nfs/dbraw/zinc/13/90/53/341139053.db2.gz JGZGYVQQTOARDE-LBPRGKRZSA-N 1 1 319.474 3.557 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H](c3ccncc3)C2)cc1 ZINC000564294189 341141015 /nfs/dbraw/zinc/14/10/15/341141015.db2.gz RLGUSMDQALGQGQ-GOSISDBHSA-N 1 1 310.828 3.966 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@@H+]2CCOCC3(CCC3)C2)cc1 ZINC000546811058 341182906 /nfs/dbraw/zinc/18/29/06/341182906.db2.gz SWBFMPZCZYMLDS-UHFFFAOYSA-N 1 1 323.358 3.559 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCOCC3(CCC3)C2)cc1 ZINC000546811058 341182907 /nfs/dbraw/zinc/18/29/07/341182907.db2.gz SWBFMPZCZYMLDS-UHFFFAOYSA-N 1 1 323.358 3.559 20 30 DHEDMO COc1ccc(C[C@H](C)C[N@@H+](C[C@H](C)C#N)C2CC2)cc1F ZINC000547017662 341191660 /nfs/dbraw/zinc/19/16/60/341191660.db2.gz VFZXEYUPVKZLCG-UONOGXRCSA-N 1 1 304.409 3.637 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000076737451 341213354 /nfs/dbraw/zinc/21/33/54/341213354.db2.gz OAGBHJBKIADWEV-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO Cc1ccc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)nc1 ZINC000134387209 341214518 /nfs/dbraw/zinc/21/45/18/341214518.db2.gz JNRBKDOKSKAUQN-UHFFFAOYSA-N 1 1 304.315 3.550 20 30 DHEDMO COCC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000077183514 341220093 /nfs/dbraw/zinc/22/00/93/341220093.db2.gz JBFWJVPPPWLQAZ-UHFFFAOYSA-N 1 1 320.845 3.922 20 30 DHEDMO COCC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000077183514 341220094 /nfs/dbraw/zinc/22/00/94/341220094.db2.gz JBFWJVPPPWLQAZ-UHFFFAOYSA-N 1 1 320.845 3.922 20 30 DHEDMO C=CC[C@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000547650906 341225174 /nfs/dbraw/zinc/22/51/74/341225174.db2.gz PGRIAIUNRNMWLW-SFHVURJKSA-N 1 1 314.473 3.679 20 30 DHEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(C#N)c2)C1 ZINC000135110605 341231252 /nfs/dbraw/zinc/23/12/52/341231252.db2.gz CVKPEHKXNFBCMY-CVEARBPZSA-N 1 1 304.459 3.673 20 30 DHEDMO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135229516 341233749 /nfs/dbraw/zinc/23/37/49/341233749.db2.gz ZLQJGPZCLHFHDI-QGZVFWFLSA-N 1 1 300.446 3.735 20 30 DHEDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135287962 341235576 /nfs/dbraw/zinc/23/55/76/341235576.db2.gz XZSAVBMYQJCGNH-QGZVFWFLSA-N 1 1 300.446 3.735 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCC(C)(C)C#N ZINC000547841209 341236955 /nfs/dbraw/zinc/23/69/55/341236955.db2.gz DYZKIFXYXLOAKZ-XHSDSOJGSA-N 1 1 320.477 3.901 20 30 DHEDMO CC(C)C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000080746450 341274720 /nfs/dbraw/zinc/27/47/20/341274720.db2.gz NCDAEADZBHBXET-CYBMUJFWSA-N 1 1 319.836 3.518 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)C1 ZINC000549532267 341296513 /nfs/dbraw/zinc/29/65/13/341296513.db2.gz NNXMRPQDUHJLRI-QLFBSQMISA-N 1 1 304.821 3.875 20 30 DHEDMO Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cc1C#N ZINC000549804986 341303552 /nfs/dbraw/zinc/30/35/52/341303552.db2.gz AIRXDDGHNQWIMK-REPLKXPHSA-N 1 1 305.425 3.807 20 30 DHEDMO Cc1cc(C)c(C#N)c(S[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000550002092 341308579 /nfs/dbraw/zinc/30/85/79/341308579.db2.gz FBBXOSBJKFXYRB-QGZVFWFLSA-N 1 1 323.465 3.937 20 30 DHEDMO COC(=O)c1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000550443992 341317193 /nfs/dbraw/zinc/31/71/93/341317193.db2.gz JKKHPWUKBVOWGH-UHFFFAOYSA-N 1 1 322.408 3.755 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1CCC2(CCCC2)O1 ZINC000552145583 341373333 /nfs/dbraw/zinc/37/33/33/341373333.db2.gz PLRQYNWZLYHPEG-QGZVFWFLSA-N 1 1 319.445 3.642 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CCC2(CCCC2)O1 ZINC000552145582 341373349 /nfs/dbraw/zinc/37/33/49/341373349.db2.gz PLRQYNWZLYHPEG-KRWDZBQOSA-N 1 1 319.445 3.642 20 30 DHEDMO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248401918 341376584 /nfs/dbraw/zinc/37/65/84/341376584.db2.gz MJHMJZXQVUUCMM-FCEWJHQRSA-N 1 1 311.473 3.862 20 30 DHEDMO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248401918 341376585 /nfs/dbraw/zinc/37/65/85/341376585.db2.gz MJHMJZXQVUUCMM-FCEWJHQRSA-N 1 1 311.473 3.862 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248610079 341381410 /nfs/dbraw/zinc/38/14/10/341381410.db2.gz FOWVKFIJUUMWFN-QZTJIDSGSA-N 1 1 314.473 3.712 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000249083259 341393464 /nfs/dbraw/zinc/39/34/64/341393464.db2.gz AVZIIRIVWDBTDF-UZLBHIALSA-N 1 1 306.409 3.867 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000249083259 341393465 /nfs/dbraw/zinc/39/34/65/341393465.db2.gz AVZIIRIVWDBTDF-UZLBHIALSA-N 1 1 306.409 3.867 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249097672 341393871 /nfs/dbraw/zinc/39/38/71/341393871.db2.gz OSBHQJFDDHTHQD-XKGZKEIXSA-N 1 1 314.473 3.758 20 30 DHEDMO N#CCCC1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000576465941 341847711 /nfs/dbraw/zinc/84/77/11/341847711.db2.gz OOURGJRBDHYLCS-UHFFFAOYSA-N 1 1 323.234 3.670 20 30 DHEDMO N#Cc1csc(CNCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000177682050 341923558 /nfs/dbraw/zinc/92/35/58/341923558.db2.gz NWSUSLLDUJAUOH-UHFFFAOYSA-N 1 1 311.454 3.505 20 30 DHEDMO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@H](C)c1cccc(C#N)c1)CC2 ZINC000364137979 518413362 /nfs/dbraw/zinc/41/33/62/518413362.db2.gz WSNKFSZCCKMRKZ-OAHLLOKOSA-N 1 1 318.420 3.923 20 30 DHEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccc(C#N)cc3)c2C1 ZINC000158323961 519732456 /nfs/dbraw/zinc/73/24/56/519732456.db2.gz VSJGHRXBVVJAMA-UHFFFAOYSA-N 1 1 319.408 3.782 20 30 DHEDMO CC[N@@H+](C)C[C@H]1CCN(c2c(C#N)cnc3c(C)cc(C)cc32)C1 ZINC000267209424 520254026 /nfs/dbraw/zinc/25/40/26/520254026.db2.gz GZIIHKTXZASPAE-MRXNPFEDSA-N 1 1 322.456 3.501 20 30 DHEDMO CC[N@H+](Cc1ccc(F)cc1C#N)[C@H]1CCCc2cccnc21 ZINC000364997139 521315839 /nfs/dbraw/zinc/31/58/39/521315839.db2.gz BSFQNJUMNXTJGD-SFHVURJKSA-N 1 1 309.388 3.992 20 30 DHEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1CCCc2cccnc21 ZINC000364997139 521315841 /nfs/dbraw/zinc/31/58/41/521315841.db2.gz BSFQNJUMNXTJGD-SFHVURJKSA-N 1 1 309.388 3.992 20 30 DHEDMO COc1cc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)cc(OC)c1 ZINC000265526936 522360588 /nfs/dbraw/zinc/36/05/88/522360588.db2.gz OZUURKOISFMASK-CQSZACIVSA-N 1 1 310.397 3.768 20 30 DHEDMO CCc1noc(C)c1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000339437118 522845962 /nfs/dbraw/zinc/84/59/62/522845962.db2.gz KOPHFQLNTVGVHC-UHFFFAOYSA-N 1 1 323.318 3.726 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)o1)Cc1ccc(OC(F)(F)F)cc1 ZINC000130733290 523213928 /nfs/dbraw/zinc/21/39/28/523213928.db2.gz SOMSZCIVVKPONO-UHFFFAOYSA-N 1 1 310.275 3.682 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(OC(F)(F)F)cc1 ZINC000130733290 523213939 /nfs/dbraw/zinc/21/39/39/523213939.db2.gz SOMSZCIVVKPONO-UHFFFAOYSA-N 1 1 310.275 3.682 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)cc1C#N ZINC000339375877 524037643 /nfs/dbraw/zinc/03/76/43/524037643.db2.gz KESGQNHJWAQAIY-HNNXBMFYSA-N 1 1 310.372 3.695 20 30 DHEDMO Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000189348768 524588803 /nfs/dbraw/zinc/58/88/03/524588803.db2.gz BGWQHDLEZUFQDC-INIZCTEOSA-N 1 1 321.424 3.807 20 30 DHEDMO Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000189348768 524588809 /nfs/dbraw/zinc/58/88/09/524588809.db2.gz BGWQHDLEZUFQDC-INIZCTEOSA-N 1 1 321.424 3.807 20 30 DHEDMO C[C@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccc(C#N)cc1 ZINC000338340974 525491892 /nfs/dbraw/zinc/49/18/92/525491892.db2.gz BSXWLCPDKTYIDP-HNNXBMFYSA-N 1 1 302.381 3.595 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189172582 526552560 /nfs/dbraw/zinc/55/25/60/526552560.db2.gz JVNSMFTZSHMXDE-QGZVFWFLSA-N 1 1 304.821 3.603 20 30 DHEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(c2ccccc2CO)CC1 ZINC000364801609 526559418 /nfs/dbraw/zinc/55/94/18/526559418.db2.gz DBZMVUSDTZZWCM-UHFFFAOYSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1ccsc1NC(=O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000102410819 526770807 /nfs/dbraw/zinc/77/08/07/526770807.db2.gz LQDRIJCKNXTMOT-UHFFFAOYSA-N 1 1 317.458 3.605 20 30 DHEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2CCC(C)C)c(C#N)c1C ZINC000157236195 526776701 /nfs/dbraw/zinc/77/67/01/526776701.db2.gz PSXYYXTYWUPODG-OAHLLOKOSA-N 1 1 317.433 3.607 20 30 DHEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2CCC(C)C)c(C#N)c1C ZINC000157236195 526776702 /nfs/dbraw/zinc/77/67/02/526776702.db2.gz PSXYYXTYWUPODG-OAHLLOKOSA-N 1 1 317.433 3.607 20 30 DHEDMO CC(C)[C@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272214306 535183396 /nfs/dbraw/zinc/18/33/96/535183396.db2.gz AYCFMCNHAXWZGK-GOSISDBHSA-N 1 1 308.429 3.579 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1 ZINC000339904439 1013049249 /nfs/dbraw/zinc/04/92/49/1013049249.db2.gz BAOAZIULOHQPJP-SFHVURJKSA-N 1 1 316.408 3.573 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](C)C(C)(C)C ZINC001573341944 947537247 /nfs/dbraw/zinc/53/72/47/947537247.db2.gz RQSIDZBPUGFPJX-AWEZNQCLSA-N 1 1 313.449 3.537 20 30 DHEDMO C=CCCCC[N@H+]1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001209200070 1013081482 /nfs/dbraw/zinc/08/14/82/1013081482.db2.gz GABNGOSWPNHPLW-KRWDZBQOSA-N 1 1 304.459 3.533 20 30 DHEDMO C=CCC[C@@H]([NH2+]Cc1ncc(C(=O)OC)s1)c1ccccc1 ZINC000894359529 1013103919 /nfs/dbraw/zinc/10/39/19/1013103919.db2.gz QTVNGBBQEHLZCY-CQSZACIVSA-N 1 1 316.426 3.727 20 30 DHEDMO Cc1cc(CNc2ccc(C#N)cc2C)cc(N2CCCC2)[nH+]1 ZINC000846754461 1032063635 /nfs/dbraw/zinc/06/36/35/1032063635.db2.gz PMHYZOBOCOHPGY-UHFFFAOYSA-N 1 1 306.413 3.782 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cnc(Cl)c(F)c2)C2CC2)cc1 ZINC000846781408 1032067962 /nfs/dbraw/zinc/06/79/62/1032067962.db2.gz IJRUBYMJUSQFCU-UHFFFAOYSA-N 1 1 315.779 3.910 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2cnc(Cl)c(F)c2)C2CC2)cc1 ZINC000846781408 1032067968 /nfs/dbraw/zinc/06/79/68/1032067968.db2.gz IJRUBYMJUSQFCU-UHFFFAOYSA-N 1 1 315.779 3.910 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)CC1CCCC1 ZINC001167116896 1013190670 /nfs/dbraw/zinc/19/06/70/1013190670.db2.gz XWNHUMJEUIFOKG-SFHVURJKSA-N 1 1 303.446 3.624 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001167123426 1013228272 /nfs/dbraw/zinc/22/82/72/1013228272.db2.gz STUVRUDRPMIYIO-IBGZPJMESA-N 1 1 324.399 3.913 20 30 DHEDMO C=CCN(Cc1ccccc1)c1cc[nH+]c(N2CCCCC2)n1 ZINC001167126938 1013241335 /nfs/dbraw/zinc/24/13/35/1013241335.db2.gz XMWUHRGUJUNLSC-UHFFFAOYSA-N 1 1 308.429 3.660 20 30 DHEDMO C=CCCCCCCCCN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001209444718 1013292656 /nfs/dbraw/zinc/29/26/56/1013292656.db2.gz YJEOENSAXVKIOM-LJQANCHMSA-N 1 1 308.510 3.700 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894583444 1013426434 /nfs/dbraw/zinc/42/64/34/1013426434.db2.gz AJJASMRMRJHJHN-QWHCGFSZSA-N 1 1 318.408 3.575 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894583445 1013427409 /nfs/dbraw/zinc/42/74/09/1013427409.db2.gz AJJASMRMRJHJHN-STQMWFEESA-N 1 1 318.408 3.575 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000894634392 1013438026 /nfs/dbraw/zinc/43/80/26/1013438026.db2.gz LJMPGSZFWFSLGA-LJQANCHMSA-N 1 1 310.441 3.566 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2nc3ccccc3c(=O)[nH]2)CCCC1(C)C ZINC000683528237 1013589728 /nfs/dbraw/zinc/58/97/28/1013589728.db2.gz CHKUZGACFWLTHI-INIZCTEOSA-N 1 1 311.429 3.902 20 30 DHEDMO OCC[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCCc2ccccc21 ZINC000440656715 1013603816 /nfs/dbraw/zinc/60/38/16/1013603816.db2.gz ZTFYIIDGNIQGQB-NRFANRHFSA-N 1 1 323.411 3.549 20 30 DHEDMO Clc1ccccc1C#CCN1CCC[N@H+](C2CCCC2)CC1 ZINC000441164233 1013680792 /nfs/dbraw/zinc/68/07/92/1013680792.db2.gz GVLYHXFJWLNQCX-UHFFFAOYSA-N 1 1 316.876 3.642 20 30 DHEDMO C=CCOc1cccc(C[NH2+]CCN2[C@H](C)CCC[C@H]2C)c1 ZINC000520229645 1013682769 /nfs/dbraw/zinc/68/27/69/1013682769.db2.gz AFRVHRAOJGDBPL-IAGOWNOFSA-N 1 1 302.462 3.604 20 30 DHEDMO C[C@H](NC(C)(C)C[NH2+]Cc1ccc(C#N)s1)c1ccccc1 ZINC000176969538 1013692257 /nfs/dbraw/zinc/69/22/57/1013692257.db2.gz CIIAWMLBTPXIMD-AWEZNQCLSA-N 1 1 313.470 3.839 20 30 DHEDMO C[C@H](CC[NH2+]Cc1ccc(C#N)s1)[N@@H+](C)Cc1ccccc1 ZINC000176981024 1013693773 /nfs/dbraw/zinc/69/37/73/1013693773.db2.gz DOJJKIMNRWMOLA-OAHLLOKOSA-N 1 1 313.470 3.620 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000579236560 1013710604 /nfs/dbraw/zinc/71/06/04/1013710604.db2.gz CDJLXTMIDCUXNI-UHFFFAOYSA-N 1 1 301.390 3.865 20 30 DHEDMO Cc1ccnc(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1C#N ZINC000343507411 1013721766 /nfs/dbraw/zinc/72/17/66/1013721766.db2.gz IKOKXKGQCWRBJW-INIZCTEOSA-N 1 1 308.429 3.584 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1C[C@]1(C)Br ZINC000895018935 1013778269 /nfs/dbraw/zinc/77/82/69/1013778269.db2.gz VJZIAAKYJZTPSZ-UGFHNGPFSA-N 1 1 307.235 3.725 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1c[nH]nc1-c1ccccc1F ZINC000328692420 1013792742 /nfs/dbraw/zinc/79/27/42/1013792742.db2.gz RRLMYPQMCDMYQX-TXEJJXNPSA-N 1 1 316.380 3.677 20 30 DHEDMO C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328756704 1013795638 /nfs/dbraw/zinc/79/56/38/1013795638.db2.gz UJQIGXOGLRWDOO-SSGTUYFUSA-N 1 1 322.493 3.536 20 30 DHEDMO N#Cc1cc(C[NH2+]Cc2ccsc2C(F)(F)F)cs1 ZINC000922301043 1019976713 /nfs/dbraw/zinc/97/67/13/1019976713.db2.gz ZXXCLPOBVVQROP-UHFFFAOYSA-N 1 1 302.346 3.990 20 30 DHEDMO Cc1nc(C)c(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)s1 ZINC000330936704 1013847752 /nfs/dbraw/zinc/84/77/52/1013847752.db2.gz SSXDFDPKWUDEII-NSHDSACASA-N 1 1 324.494 3.596 20 30 DHEDMO C=CC[N@@H+](Cc1nc2cc(C(F)(F)F)ccc2n1C)C1CC1 ZINC000350258321 1013846859 /nfs/dbraw/zinc/84/68/59/1013846859.db2.gz CMLQVGATAPMZHS-UHFFFAOYSA-N 1 1 309.335 3.743 20 30 DHEDMO C=CC[N@H+](Cc1nc2cc(C(F)(F)F)ccc2n1C)C1CC1 ZINC000350258321 1013846870 /nfs/dbraw/zinc/84/68/70/1013846870.db2.gz CMLQVGATAPMZHS-UHFFFAOYSA-N 1 1 309.335 3.743 20 30 DHEDMO CC[C@H](C)n1ncc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1C ZINC000331072354 1013854805 /nfs/dbraw/zinc/85/48/05/1013854805.db2.gz DYBOVXUPQFRVRM-HOCLYGCPSA-N 1 1 320.481 3.588 20 30 DHEDMO N#Cc1c(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)cn2ccccc12 ZINC000441458322 1013899975 /nfs/dbraw/zinc/89/99/75/1013899975.db2.gz NUGVNEPFXUHVAS-GOSISDBHSA-N 1 1 323.440 3.735 20 30 DHEDMO Cc1ccccc1C[NH+]1CCC(NCc2cccc(C#N)c2)CC1 ZINC000048716605 1013931941 /nfs/dbraw/zinc/93/19/41/1013931941.db2.gz FQCGRTKYIKRVKC-UHFFFAOYSA-N 1 1 319.452 3.621 20 30 DHEDMO C=CCC(C)(C)c1nc(CCCCn2c[nH+]c(C)c2C)no1 ZINC000656038901 1013943348 /nfs/dbraw/zinc/94/33/48/1013943348.db2.gz FZKHULVYHDWTNI-UHFFFAOYSA-N 1 1 302.422 3.760 20 30 DHEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)c1 ZINC000118867917 1014000858 /nfs/dbraw/zinc/00/08/58/1014000858.db2.gz LCJKCQFNNXJGEL-FQEVSTJZSA-N 1 1 305.425 3.961 20 30 DHEDMO CCC[N@H+]1CCc2c(N)sc(Nc3ccccc3C#N)c2C1 ZINC001210740135 1014011866 /nfs/dbraw/zinc/01/18/66/1014011866.db2.gz YCJCFLMTRYOXSH-UHFFFAOYSA-N 1 1 312.442 3.714 20 30 DHEDMO C=CC[N@@H+](CC1CCCCC1)[C@H]1CCN(C2CCCCC2)C1=O ZINC001167392533 1014113320 /nfs/dbraw/zinc/11/33/20/1014113320.db2.gz UMRUYRXZFHTHIY-IBGZPJMESA-N 1 1 318.505 3.988 20 30 DHEDMO C#CCCCCCC[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167412526 1014176529 /nfs/dbraw/zinc/17/65/29/1014176529.db2.gz MLJCDKPECIEJDV-CALCHBBNSA-N 1 1 322.493 3.900 20 30 DHEDMO COC(=O)[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)[C@@H]2CCC[C@@H]21 ZINC000931262763 1032086445 /nfs/dbraw/zinc/08/64/45/1032086445.db2.gz IIBSMJXIEAHNDB-BRWVUGGUSA-N 1 1 318.461 3.514 20 30 DHEDMO Cc1ccc(O[C@H]2CC[N@@H+](CCCCC3(C#N)CCC3)C2)nc1 ZINC000931269071 1032088399 /nfs/dbraw/zinc/08/83/99/1032088399.db2.gz IKDUZDXNFJTZDS-KRWDZBQOSA-N 1 1 313.445 3.707 20 30 DHEDMO CC[C@H](C)Nc1[nH+]cc2c(c1C#N)N(Cc1ccccc1)CC2 ZINC001168001124 1014267169 /nfs/dbraw/zinc/26/71/69/1014267169.db2.gz ZVEDJYUYUZDJNJ-AWEZNQCLSA-N 1 1 306.413 3.726 20 30 DHEDMO Cc1ccc(C[C@H]2CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000579786240 1014299049 /nfs/dbraw/zinc/29/90/49/1014299049.db2.gz BJNYNZGPUDVCPW-GOSISDBHSA-N 1 1 307.441 3.660 20 30 DHEDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441522983 1014309823 /nfs/dbraw/zinc/30/98/23/1014309823.db2.gz KYVHQGVHFXSPBF-INIZCTEOSA-N 1 1 310.401 3.619 20 30 DHEDMO CCC(C)(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000441650073 1014391443 /nfs/dbraw/zinc/39/14/43/1014391443.db2.gz WZYYWIUBJDLEPR-QGZVFWFLSA-N 1 1 313.445 3.787 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000155891171 1014414784 /nfs/dbraw/zinc/41/47/84/1014414784.db2.gz MKMUNGRCVZWFPC-SFHVURJKSA-N 1 1 300.446 3.589 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+](CCC)[C@@H]1CCc2ccccc21 ZINC000521192616 1014660354 /nfs/dbraw/zinc/66/03/54/1014660354.db2.gz GYXYEOCOJVFHFO-LJQANCHMSA-N 1 1 312.457 3.587 20 30 DHEDMO Cc1csc(C[C@H]2CC[N@H+](Cc3cccc(F)c3C#N)C2)n1 ZINC000933125873 1014671340 /nfs/dbraw/zinc/67/13/40/1014671340.db2.gz KQMXWFNKVGANIC-CYBMUJFWSA-N 1 1 315.417 3.527 20 30 DHEDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3cccc(F)c3C#N)C2)n1 ZINC000933125873 1014671344 /nfs/dbraw/zinc/67/13/44/1014671344.db2.gz KQMXWFNKVGANIC-CYBMUJFWSA-N 1 1 315.417 3.527 20 30 DHEDMO Cc1csc(C[C@H]2CC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)n1 ZINC000933132050 1014689476 /nfs/dbraw/zinc/68/94/76/1014689476.db2.gz YSSICRFMGFZVQU-GDBMZVCRSA-N 1 1 311.454 3.949 20 30 DHEDMO CC[N@H+](Cc1cc(C(F)(F)F)n[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000442803552 1014739625 /nfs/dbraw/zinc/73/96/25/1014739625.db2.gz XBGPMPNIOQCBDN-LLVKDONJSA-N 1 1 322.334 3.883 20 30 DHEDMO CC[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000442803552 1014739631 /nfs/dbraw/zinc/73/96/31/1014739631.db2.gz XBGPMPNIOQCBDN-LLVKDONJSA-N 1 1 322.334 3.883 20 30 DHEDMO COc1cc(C[N@H+](Cc2cccc(O)c2)CC2CC2)ccc1C#N ZINC000442883532 1014760047 /nfs/dbraw/zinc/76/00/47/1014760047.db2.gz HMILMOBYFZNHNE-UHFFFAOYSA-N 1 1 322.408 3.685 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000442892825 1014764981 /nfs/dbraw/zinc/76/49/81/1014764981.db2.gz FUEBHCWOIQMSHM-DYESRHJHSA-N 1 1 320.436 3.953 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000442892825 1014764990 /nfs/dbraw/zinc/76/49/90/1014764990.db2.gz FUEBHCWOIQMSHM-DYESRHJHSA-N 1 1 320.436 3.953 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)ccc1C#N ZINC000442893818 1014766792 /nfs/dbraw/zinc/76/67/92/1014766792.db2.gz YCQZMVUYVLFTGE-KRWDZBQOSA-N 1 1 324.399 3.771 20 30 DHEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC001167458498 1014781531 /nfs/dbraw/zinc/78/15/31/1014781531.db2.gz VHZLPEXQUZQDTI-YJBOKZPZSA-N 1 1 313.445 3.787 20 30 DHEDMO Cc1ccccc1[C@H]([C@H](C)NCc1ccc(C#N)s1)[NH+](C)C ZINC000443002509 1014787780 /nfs/dbraw/zinc/78/77/80/1014787780.db2.gz SUPJEBQJDJHFQM-KSSFIOAISA-N 1 1 313.470 3.709 20 30 DHEDMO CC1(C)CC[C@H](C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)OC1 ZINC001167464599 1014883241 /nfs/dbraw/zinc/88/32/41/1014883241.db2.gz OATVGMPTWNAUMU-CEXWTWQISA-N 1 1 312.457 3.963 20 30 DHEDMO CC1(C)CC[C@H](C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)OC1 ZINC001167464599 1014883250 /nfs/dbraw/zinc/88/32/50/1014883250.db2.gz OATVGMPTWNAUMU-CEXWTWQISA-N 1 1 312.457 3.963 20 30 DHEDMO C#CCC1([NH2+][C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CCC1 ZINC000933300622 1014974172 /nfs/dbraw/zinc/97/41/72/1014974172.db2.gz BFQBWQNFEIZZES-ZDUSSCGKSA-N 1 1 313.376 3.781 20 30 DHEDMO Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc(C#N)n1 ZINC000308275325 1014986273 /nfs/dbraw/zinc/98/62/73/1014986273.db2.gz FJMSOZZHCCBPGZ-FUHWJXTLSA-N 1 1 320.440 3.727 20 30 DHEDMO C#CCC1([NH2+][C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CCC1 ZINC000933304194 1014988423 /nfs/dbraw/zinc/98/84/23/1014988423.db2.gz ZGMMFFJZLUMCDR-CYBMUJFWSA-N 1 1 313.376 3.781 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000121112884 1014996715 /nfs/dbraw/zinc/99/67/15/1014996715.db2.gz RIYIJDFTCQUYFZ-SFHVURJKSA-N 1 1 309.413 3.633 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000749514570 1015002514 /nfs/dbraw/zinc/00/25/14/1015002514.db2.gz NUOMJQMLYFYWKU-UHFFFAOYSA-N 1 1 302.418 3.623 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000749514570 1015002525 /nfs/dbraw/zinc/00/25/25/1015002525.db2.gz NUOMJQMLYFYWKU-UHFFFAOYSA-N 1 1 302.418 3.623 20 30 DHEDMO C=CCC[N@@H+](C)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000276383230 1015038894 /nfs/dbraw/zinc/03/88/94/1015038894.db2.gz ILEYUOPLWTYNRE-UHFFFAOYSA-N 1 1 315.398 3.665 20 30 DHEDMO C=CCC[N@H+](C)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000276383230 1015038909 /nfs/dbraw/zinc/03/89/09/1015038909.db2.gz ILEYUOPLWTYNRE-UHFFFAOYSA-N 1 1 315.398 3.665 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000443643728 1015062285 /nfs/dbraw/zinc/06/22/85/1015062285.db2.gz WFYIQDVKOVYZCU-GJZGRUSLSA-N 1 1 309.837 3.510 20 30 DHEDMO C=CCc1cc(C[NH+]2CC(CC(F)(F)F)C2)cc(OC)c1O ZINC000656686825 1015069154 /nfs/dbraw/zinc/06/91/54/1015069154.db2.gz ZBLRDCBNKSANPP-UHFFFAOYSA-N 1 1 315.335 3.514 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)sc(=O)n2C ZINC000474161069 1015132762 /nfs/dbraw/zinc/13/27/62/1015132762.db2.gz SWOJQESVELEGJR-UHFFFAOYSA-N 1 1 324.449 3.788 20 30 DHEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)C(=O)OCC ZINC000895598713 1015218313 /nfs/dbraw/zinc/21/83/13/1015218313.db2.gz UPRLAUHEKYZYAB-JQHSSLGASA-N 1 1 316.445 3.595 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000668493241 1015226990 /nfs/dbraw/zinc/22/69/90/1015226990.db2.gz LGPOLKDWTUQBGB-QFBILLFUSA-N 1 1 301.430 3.642 20 30 DHEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000581848459 1015374135 /nfs/dbraw/zinc/37/41/35/1015374135.db2.gz YOECWHLZNPXSTO-OAHLLOKOSA-N 1 1 312.388 3.907 20 30 DHEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cs1 ZINC000896048048 1015423363 /nfs/dbraw/zinc/42/33/63/1015423363.db2.gz PBZMJSFXKWFIDJ-AAEUAGOBSA-N 1 1 300.349 3.784 20 30 DHEDMO C[C@@H]1CCC[N@@H+](CCCCNc2nccc(C#N)c2Cl)C1 ZINC000341560692 1015528268 /nfs/dbraw/zinc/52/82/68/1015528268.db2.gz HOHSQNOHTYINRJ-CYBMUJFWSA-N 1 1 306.841 3.531 20 30 DHEDMO C=C1CCC(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000896351340 1015559012 /nfs/dbraw/zinc/55/90/12/1015559012.db2.gz LHADJDFZFXQJQT-ZWKOTPCHSA-N 1 1 318.505 3.846 20 30 DHEDMO CCC[N@@H+](CCc1cccs1)Cc1cnc2ccc(C#N)cn12 ZINC000185586307 1015593722 /nfs/dbraw/zinc/59/37/22/1015593722.db2.gz SICDMYBXPUJANN-UHFFFAOYSA-N 1 1 324.453 3.722 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)c1 ZINC000896534066 1015625736 /nfs/dbraw/zinc/62/57/36/1015625736.db2.gz FPIWEZFEZIUVRH-LBPRGKRZSA-N 1 1 303.456 3.531 20 30 DHEDMO CC(=O)Nc1cccc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000329199518 1015657073 /nfs/dbraw/zinc/65/70/73/1015657073.db2.gz XAHPACKNBKCQFI-INIZCTEOSA-N 1 1 315.417 3.616 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCCC1 ZINC000610613489 1015667216 /nfs/dbraw/zinc/66/72/16/1015667216.db2.gz FITCYFMWVQJONI-UHFFFAOYSA-N 1 1 324.371 3.551 20 30 DHEDMO Cc1noc(C)c1[C@H](C)CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000329404663 1015697856 /nfs/dbraw/zinc/69/78/56/1015697856.db2.gz ZAGQLHYEFKFQLZ-DOMZBBRYSA-N 1 1 307.438 3.616 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276871226 1015721021 /nfs/dbraw/zinc/72/10/21/1015721021.db2.gz DSTXUTVYAWKOBV-IMFGXOCKSA-N 1 1 314.473 3.616 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000610705494 1015725297 /nfs/dbraw/zinc/72/52/97/1015725297.db2.gz BKDOQPUJTBFADY-GOSISDBHSA-N 1 1 322.408 3.610 20 30 DHEDMO C=CCC1(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)CCC1 ZINC000276883408 1015727950 /nfs/dbraw/zinc/72/79/50/1015727950.db2.gz SNIYUYKZHQUWJE-UHFFFAOYSA-N 1 1 319.474 3.595 20 30 DHEDMO C=CCC1(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCC1 ZINC000276883408 1015727954 /nfs/dbraw/zinc/72/79/54/1015727954.db2.gz SNIYUYKZHQUWJE-UHFFFAOYSA-N 1 1 319.474 3.595 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc4c(c3)CCC4)CCO2)c1 ZINC000341804288 1015742990 /nfs/dbraw/zinc/74/29/90/1015742990.db2.gz CAJLGJMYQBITAY-OAQYLSRUSA-N 1 1 318.420 3.620 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc4c(c3)CCC4)CCO2)c1 ZINC000341804288 1015742992 /nfs/dbraw/zinc/74/29/92/1015742992.db2.gz CAJLGJMYQBITAY-OAQYLSRUSA-N 1 1 318.420 3.620 20 30 DHEDMO COc1cccc([C@H](C)[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000341813276 1015746629 /nfs/dbraw/zinc/74/66/29/1015746629.db2.gz JRQUSURHBRCFDZ-MGPUTAFESA-N 1 1 322.408 3.701 20 30 DHEDMO COc1cccc([C@H](C)[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000341813276 1015746633 /nfs/dbraw/zinc/74/66/33/1015746633.db2.gz JRQUSURHBRCFDZ-MGPUTAFESA-N 1 1 322.408 3.701 20 30 DHEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000610967920 1015968668 /nfs/dbraw/zinc/96/86/68/1015968668.db2.gz XGNPBBSFLZKCFA-DOTOQJQBSA-N 1 1 306.413 3.791 20 30 DHEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000610967920 1015968672 /nfs/dbraw/zinc/96/86/72/1015968672.db2.gz XGNPBBSFLZKCFA-DOTOQJQBSA-N 1 1 306.413 3.791 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1C#N ZINC000610993454 1016004712 /nfs/dbraw/zinc/00/47/12/1016004712.db2.gz OYSRTUYAQKLULU-GOSISDBHSA-N 1 1 308.381 3.610 20 30 DHEDMO C#CC[N@@H+](CC#CC)CCCCOc1cccc(C(F)(F)F)c1 ZINC001167503761 1016139024 /nfs/dbraw/zinc/13/90/24/1016139024.db2.gz DQBMJSYCGRTMIQ-UHFFFAOYSA-N 1 1 323.358 3.823 20 30 DHEDMO C=CC[N@H+](CC/C=C\CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000342245428 1016182094 /nfs/dbraw/zinc/18/20/94/1016182094.db2.gz IXANPFKWRYOIIA-MWWKQMNYSA-N 1 1 311.433 3.568 20 30 DHEDMO C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000107904489 1032146480 /nfs/dbraw/zinc/14/64/80/1032146480.db2.gz MTULGSDXIYXVAG-LLVKDONJSA-N 1 1 315.760 3.971 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)ccc1F ZINC000119886233 1016410412 /nfs/dbraw/zinc/41/04/12/1016410412.db2.gz OYWHVCMFMHOGDV-QGZVFWFLSA-N 1 1 324.355 3.763 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)ccc1F ZINC000119886233 1016410421 /nfs/dbraw/zinc/41/04/21/1016410421.db2.gz OYWHVCMFMHOGDV-QGZVFWFLSA-N 1 1 324.355 3.763 20 30 DHEDMO Cn1ncc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1C1CC1 ZINC000892202805 1016422614 /nfs/dbraw/zinc/42/26/14/1016422614.db2.gz UIYHZSLQEMIPPX-OALUTQOASA-N 1 1 320.440 3.569 20 30 DHEDMO Cn1ncc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1C1CC1 ZINC000892202805 1016422622 /nfs/dbraw/zinc/42/26/22/1016422622.db2.gz UIYHZSLQEMIPPX-OALUTQOASA-N 1 1 320.440 3.569 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934334815 1016463880 /nfs/dbraw/zinc/46/38/80/1016463880.db2.gz XIRBHTYNQPLVNS-GFCCVEGCSA-N 1 1 317.845 3.733 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934334815 1016463888 /nfs/dbraw/zinc/46/38/88/1016463888.db2.gz XIRBHTYNQPLVNS-GFCCVEGCSA-N 1 1 317.845 3.733 20 30 DHEDMO COc1c(C)cnc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)c1C ZINC000263652451 1016475365 /nfs/dbraw/zinc/47/53/65/1016475365.db2.gz KZUBABXMFWTFQM-HNNXBMFYSA-N 1 1 309.413 3.772 20 30 DHEDMO COc1c(C)c[nH+]c(CN(C)[C@@H](C)c2ccc(C#N)cc2)c1C ZINC000263652451 1016475382 /nfs/dbraw/zinc/47/53/82/1016475382.db2.gz KZUBABXMFWTFQM-HNNXBMFYSA-N 1 1 309.413 3.772 20 30 DHEDMO C=CCSCC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000346654639 1016495064 /nfs/dbraw/zinc/49/50/64/1016495064.db2.gz UCEDQNWATUUPEN-QGZVFWFLSA-N 1 1 320.408 3.958 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)o1 ZINC000342474057 1016559994 /nfs/dbraw/zinc/55/99/94/1016559994.db2.gz ZXHUMVWYHSTQNY-GOSISDBHSA-N 1 1 310.397 3.829 20 30 DHEDMO Cc1ccc(C#N)c(NCC(C)(C)[N@H+]2CCc3ccccc3C2)n1 ZINC000346818639 1016565351 /nfs/dbraw/zinc/56/53/51/1016565351.db2.gz CUVMYZLXMITKRH-UHFFFAOYSA-N 1 1 320.440 3.511 20 30 DHEDMO C=CC[NH+]1CCC(NCc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000171546626 1016578357 /nfs/dbraw/zinc/57/83/57/1016578357.db2.gz VZUAFBJYPHEABA-UHFFFAOYSA-N 1 1 314.404 3.826 20 30 DHEDMO C=CCCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC001167563054 1016581378 /nfs/dbraw/zinc/58/13/78/1016581378.db2.gz SOYWGGHEULZIQE-SFHVURJKSA-N 1 1 300.446 3.627 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000029597375 1016606135 /nfs/dbraw/zinc/60/61/35/1016606135.db2.gz YHGRHYYFZVGPCZ-MRXNPFEDSA-N 1 1 310.441 3.915 20 30 DHEDMO C=CCCN(C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000346859441 1016610200 /nfs/dbraw/zinc/61/02/00/1016610200.db2.gz SCDZPZZLJORTEX-MRXNPFEDSA-N 1 1 315.461 3.528 20 30 DHEDMO Cc1cnc(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)s1 ZINC000277582929 1016704654 /nfs/dbraw/zinc/70/46/54/1016704654.db2.gz UFFBGBNPMCUKOS-UHFFFAOYSA-N 1 1 315.417 3.842 20 30 DHEDMO C=CC[C@@H]1CCN1c1cc(C)nc([C@H](C)[N@@H+]2CC[C@@H]2CC=C)n1 ZINC000934462544 1016737740 /nfs/dbraw/zinc/73/77/40/1016737740.db2.gz XKDDOKOGYSZLTP-YESZJQIVSA-N 1 1 312.461 3.651 20 30 DHEDMO C=CC[C@@H]1CCN1c1cc(C)nc([C@H](C)[N@H+]2CC[C@@H]2CC=C)n1 ZINC000934462544 1016737744 /nfs/dbraw/zinc/73/77/44/1016737744.db2.gz XKDDOKOGYSZLTP-YESZJQIVSA-N 1 1 312.461 3.651 20 30 DHEDMO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000934470372 1016761073 /nfs/dbraw/zinc/76/10/73/1016761073.db2.gz CKRMUBDAEHUITL-VXGBXAGGSA-N 1 1 312.335 3.683 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000934470372 1016761088 /nfs/dbraw/zinc/76/10/88/1016761088.db2.gz CKRMUBDAEHUITL-VXGBXAGGSA-N 1 1 312.335 3.683 20 30 DHEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000934470368 1016761674 /nfs/dbraw/zinc/76/16/74/1016761674.db2.gz CKRMUBDAEHUITL-NEPJUHHUSA-N 1 1 312.335 3.683 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000934470368 1016761685 /nfs/dbraw/zinc/76/16/85/1016761685.db2.gz CKRMUBDAEHUITL-NEPJUHHUSA-N 1 1 312.335 3.683 20 30 DHEDMO C=CC[C@@H]1CC[N@H+]1Cc1csc(-c2ccccc2OC)n1 ZINC000934471528 1016766958 /nfs/dbraw/zinc/76/69/58/1016766958.db2.gz UINBLALSRWJZKF-CQSZACIVSA-N 1 1 300.427 3.969 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1Cc1csc(-c2ccccc2OC)n1 ZINC000934471528 1016766969 /nfs/dbraw/zinc/76/69/69/1016766969.db2.gz UINBLALSRWJZKF-CQSZACIVSA-N 1 1 300.427 3.969 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000347262083 1016825314 /nfs/dbraw/zinc/82/53/14/1016825314.db2.gz CFXONASIWVLUPR-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000347262083 1016825330 /nfs/dbraw/zinc/82/53/30/1016825330.db2.gz CFXONASIWVLUPR-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO C=C1CC(C)(c2noc(C3CCN(c4ccc(C)c[nH+]4)CC3)n2)C1 ZINC000896915450 1016902751 /nfs/dbraw/zinc/90/27/51/1016902751.db2.gz GDTFDBSKBQLYMN-UHFFFAOYSA-N 1 1 324.428 3.765 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(NC(C)=O)c1 ZINC000101544839 1016939598 /nfs/dbraw/zinc/93/95/98/1016939598.db2.gz YLLZGECNTLFDOW-UHFFFAOYSA-N 1 1 321.424 3.929 20 30 DHEDMO C#CC[N@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)C1CC1 ZINC000763949436 1017042911 /nfs/dbraw/zinc/04/29/11/1017042911.db2.gz LJFYLUQOPBCAES-UHFFFAOYSA-N 1 1 300.402 3.631 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000523009892 1017050164 /nfs/dbraw/zinc/05/01/64/1017050164.db2.gz NQPMHVSZIMOTEM-INIZCTEOSA-N 1 1 310.441 3.915 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000186251687 1017060436 /nfs/dbraw/zinc/06/04/36/1017060436.db2.gz BFBWQQLCSWCJEL-NRFANRHFSA-N 1 1 320.436 3.739 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000847027573 1032184470 /nfs/dbraw/zinc/18/44/70/1032184470.db2.gz UTUNSDUBMSIAAI-HZPDHXFCSA-N 1 1 309.413 3.760 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCCC1CCCCC1 ZINC001275763946 1032184874 /nfs/dbraw/zinc/18/48/74/1032184874.db2.gz VCCPPUWHIDSTJR-FQEVSTJZSA-N 1 1 318.505 3.990 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000847028843 1032185078 /nfs/dbraw/zinc/18/50/78/1032185078.db2.gz IQDBFHOECQVSMP-KRWDZBQOSA-N 1 1 318.420 3.637 20 30 DHEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000847028843 1032185083 /nfs/dbraw/zinc/18/50/83/1032185083.db2.gz IQDBFHOECQVSMP-KRWDZBQOSA-N 1 1 318.420 3.637 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)CCC(=O)Nc1cccc(F)c1 ZINC000362183787 1032262746 /nfs/dbraw/zinc/26/27/46/1032262746.db2.gz GTJOQIDNSSACGC-UHFFFAOYSA-N 1 1 319.424 3.806 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)C[C@H]2CCCOC2)cc1Cl ZINC000119707980 1032315013 /nfs/dbraw/zinc/31/50/13/1032315013.db2.gz KPFLOTNXBQYDRO-OAHLLOKOSA-N 1 1 309.837 3.763 20 30 DHEDMO CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccccn1 ZINC000119880124 1032327094 /nfs/dbraw/zinc/32/70/94/1032327094.db2.gz ZRWXFDHLMULYIP-UHFFFAOYSA-N 1 1 318.342 3.974 20 30 DHEDMO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccccn1 ZINC000119880124 1032327101 /nfs/dbraw/zinc/32/71/01/1032327101.db2.gz ZRWXFDHLMULYIP-UHFFFAOYSA-N 1 1 318.342 3.974 20 30 DHEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000772987266 1032369658 /nfs/dbraw/zinc/36/96/58/1032369658.db2.gz HWMFAFBAKPQANA-AWEZNQCLSA-N 1 1 313.372 3.697 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000120740735 1032387838 /nfs/dbraw/zinc/38/78/38/1032387838.db2.gz GGLQXSVFJDTKFO-QGZVFWFLSA-N 1 1 315.438 3.886 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000120740735 1032387846 /nfs/dbraw/zinc/38/78/46/1032387846.db2.gz GGLQXSVFJDTKFO-QGZVFWFLSA-N 1 1 315.438 3.886 20 30 DHEDMO C=C(CC(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001148388078 1032389277 /nfs/dbraw/zinc/38/92/77/1032389277.db2.gz KNCDESGBCAYPJY-HKUYNNGSSA-N 1 1 314.473 3.616 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CN[C@@H]1CCCc2cccnc21)C(C)C ZINC000684954015 1017089290 /nfs/dbraw/zinc/08/92/90/1017089290.db2.gz OBGCEDIACPZOJQ-MOPGFXCFSA-N 1 1 313.489 3.747 20 30 DHEDMO C=CCC[N@H+](C)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000342720316 1017086416 /nfs/dbraw/zinc/08/64/16/1017086416.db2.gz KXGQWJLNJDHTRB-UHFFFAOYSA-N 1 1 300.324 3.542 20 30 DHEDMO COc1ccc(C[N@@H+](CCCSCC#N)[C@H](C)C2CC2)cc1 ZINC000074982129 1017283597 /nfs/dbraw/zinc/28/35/97/1017283597.db2.gz XWOZLUNVVQQXNY-OAHLLOKOSA-N 1 1 318.486 3.943 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)CCC(F)(F)F)cc(OC)c1O ZINC000092478608 1032497891 /nfs/dbraw/zinc/49/78/91/1032497891.db2.gz UYBUKMVEMDLUDL-UHFFFAOYSA-N 1 1 303.324 3.514 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C)cc1OCCCC#N ZINC000092737342 1032507919 /nfs/dbraw/zinc/50/79/19/1032507919.db2.gz QOHJZAQTGXBHGW-HZPDHXFCSA-N 1 1 316.445 3.998 20 30 DHEDMO CC(C)CC[N@H+](CCC#N)Cc1c[nH]nc1-c1cccs1 ZINC000093100831 1032521953 /nfs/dbraw/zinc/52/19/53/1032521953.db2.gz QUXFPFDZCCZGLX-UHFFFAOYSA-N 1 1 302.447 3.900 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1cccs1 ZINC000093100831 1032521960 /nfs/dbraw/zinc/52/19/60/1032521960.db2.gz QUXFPFDZCCZGLX-UHFFFAOYSA-N 1 1 302.447 3.900 20 30 DHEDMO COc1cc(C)c(C[N@H+](CCC#N)CCC(C)C)cc1OC ZINC000093100886 1032523431 /nfs/dbraw/zinc/52/34/31/1032523431.db2.gz ZGZXYGJTZQFJNW-UHFFFAOYSA-N 1 1 304.434 3.774 20 30 DHEDMO COc1cc(C)c(C[N@@H+](CCC#N)CCC(C)C)cc1OC ZINC000093100886 1032523434 /nfs/dbraw/zinc/52/34/34/1032523434.db2.gz ZGZXYGJTZQFJNW-UHFFFAOYSA-N 1 1 304.434 3.774 20 30 DHEDMO CCOC[C@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000093419094 1032535811 /nfs/dbraw/zinc/53/58/11/1032535811.db2.gz XWASYJOXCITYSW-SFHVURJKSA-N 1 1 316.445 3.618 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C)cc1OCCCC#N ZINC000093499096 1032540852 /nfs/dbraw/zinc/54/08/52/1032540852.db2.gz YJKYGNDTTNGZAL-JKSUJKDBSA-N 1 1 316.445 3.998 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C)cc1OCCCC#N ZINC000093499075 1032541320 /nfs/dbraw/zinc/54/13/20/1032541320.db2.gz YJKYGNDTTNGZAL-CVEARBPZSA-N 1 1 316.445 3.998 20 30 DHEDMO CSCC[C@H](C)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093558697 1032546448 /nfs/dbraw/zinc/54/64/48/1032546448.db2.gz YONUQDNLEQUTFR-HNNXBMFYSA-N 1 1 306.475 3.943 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1COC2(CCCCC2)O1 ZINC001171399275 1032583084 /nfs/dbraw/zinc/58/30/84/1032583084.db2.gz CQWVNTJFJHQVNU-QAPCUYQASA-N 1 1 314.429 3.627 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 ZINC000076181991 1011946327 /nfs/dbraw/zinc/94/63/27/1011946327.db2.gz MPDHFIKDZLGYQZ-TXEJJXNPSA-N 1 1 322.252 3.731 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 ZINC000076181991 1011946336 /nfs/dbraw/zinc/94/63/36/1011946336.db2.gz MPDHFIKDZLGYQZ-TXEJJXNPSA-N 1 1 322.252 3.731 20 30 DHEDMO N#C[C@H]1CC[C@@H]([NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000424315588 1011976431 /nfs/dbraw/zinc/97/64/31/1011976431.db2.gz AGKYBJOINNHJMI-PNPHSEOMSA-N 1 1 313.351 3.731 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000339377508 1011987202 /nfs/dbraw/zinc/98/72/02/1011987202.db2.gz KEMSOLBWMRJMJG-HNNXBMFYSA-N 1 1 310.372 3.695 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000424607312 1012058325 /nfs/dbraw/zinc/05/83/25/1012058325.db2.gz KQMFNKBIHKSDHD-RDJZCZTQSA-N 1 1 300.446 3.540 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000424709683 1012100795 /nfs/dbraw/zinc/10/07/95/1012100795.db2.gz AFWXJMOYQPECLO-UHFFFAOYSA-N 1 1 306.494 3.703 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000187001319 1012341791 /nfs/dbraw/zinc/34/17/91/1012341791.db2.gz PMYMZJCGLXJCPH-UHFFFAOYSA-N 1 1 300.446 3.774 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000122808018 1032621500 /nfs/dbraw/zinc/62/15/00/1032621500.db2.gz IRXVSZYVNFHGDB-UHFFFAOYSA-N 1 1 307.353 3.631 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000122808018 1032621528 /nfs/dbraw/zinc/62/15/28/1032621528.db2.gz IRXVSZYVNFHGDB-UHFFFAOYSA-N 1 1 307.353 3.631 20 30 DHEDMO N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@@H]3C3CCC3)n2)cc1 ZINC000728195123 1012372412 /nfs/dbraw/zinc/37/24/12/1012372412.db2.gz BPPUXBBJNVSEAK-LJQANCHMSA-N 1 1 306.413 3.644 20 30 DHEDMO N#Cc1ccc(S[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000425274876 1012401880 /nfs/dbraw/zinc/40/18/80/1012401880.db2.gz BCSWJENXJRDOSW-QGZVFWFLSA-N 1 1 309.438 3.710 20 30 DHEDMO N#Cc1cccc(S[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000425282118 1012405493 /nfs/dbraw/zinc/40/54/93/1012405493.db2.gz NFNKOJREXSLUDW-KRWDZBQOSA-N 1 1 309.438 3.710 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425353237 1012476251 /nfs/dbraw/zinc/47/62/51/1012476251.db2.gz PUMNYQSTIQOAMP-RBUKOAKNSA-N 1 1 311.473 3.523 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000425364722 1012488558 /nfs/dbraw/zinc/48/85/58/1012488558.db2.gz HHDGUQHUGRKDPX-LBPRGKRZSA-N 1 1 322.334 3.510 20 30 DHEDMO CC[C@H](c1ccccc1)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000126968640 1012505079 /nfs/dbraw/zinc/50/50/79/1012505079.db2.gz ZEAGJUFIPPOCPR-LJQANCHMSA-N 1 1 320.440 3.617 20 30 DHEDMO C=CC[C@H](C)C(=O)N1CC2(C1)CC[N@H+](C[C@@H](CC)CCCC)C2 ZINC001269959214 1012510089 /nfs/dbraw/zinc/51/00/89/1012510089.db2.gz BTFRSBUCTQDXFJ-ROUUACIJSA-N 1 1 320.521 3.949 20 30 DHEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000126994218 1012518122 /nfs/dbraw/zinc/51/81/22/1012518122.db2.gz DHZNQAPXGMBKMP-AWEZNQCLSA-N 1 1 319.474 3.849 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccsc2Br)s1 ZINC000336673945 1012533526 /nfs/dbraw/zinc/53/35/26/1012533526.db2.gz OWCYUGYLKUORJW-UHFFFAOYSA-N 1 1 313.245 3.734 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@H]1CCc3c(F)cccc3C1)C2 ZINC001171423378 1032636314 /nfs/dbraw/zinc/63/63/14/1032636314.db2.gz ZJEKJQBXVNPRGH-SFHVURJKSA-N 1 1 306.384 3.613 20 30 DHEDMO Cc1cc(C#N)cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000342823851 1012682850 /nfs/dbraw/zinc/68/28/50/1012682850.db2.gz JLCGWGRPUABMGC-DNVCBOLYSA-N 1 1 320.440 3.584 20 30 DHEDMO COc1cccc(OCC[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425532743 1012730576 /nfs/dbraw/zinc/73/05/76/1012730576.db2.gz KAQZFHXGOBNBDA-OAHLLOKOSA-N 1 1 310.397 3.639 20 30 DHEDMO C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425533844 1012733195 /nfs/dbraw/zinc/73/31/95/1012733195.db2.gz LLRZSZXOSVHYOU-GQIGUUNPSA-N 1 1 308.425 3.716 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425538141 1012738876 /nfs/dbraw/zinc/73/88/76/1012738876.db2.gz ROTYTJMDABHJRG-CQSZACIVSA-N 1 1 305.381 3.632 20 30 DHEDMO C#CCC[NH+]1CCN(C(=O)[C@H](C)CCCCCCCC)CC1 ZINC001627319111 1012763968 /nfs/dbraw/zinc/76/39/68/1012763968.db2.gz QGIVXKICCFNLGU-GOSISDBHSA-N 1 1 306.494 3.541 20 30 DHEDMO CCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1 ZINC001270134271 1012775255 /nfs/dbraw/zinc/77/52/55/1012775255.db2.gz KMACDDLRGBECEQ-ROUUACIJSA-N 1 1 306.494 3.965 20 30 DHEDMO C=CCOc1cccc(C[NH2+][C@@H](CCN(C)C)C(C)(C)C)c1 ZINC000516993168 1012882555 /nfs/dbraw/zinc/88/25/55/1012882555.db2.gz PJQALVCSNVXJMR-SFHVURJKSA-N 1 1 304.478 3.707 20 30 DHEDMO N#CCCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000154769993 1012989524 /nfs/dbraw/zinc/98/95/24/1012989524.db2.gz PKAKGGNSQUIFKE-KRWDZBQOSA-N 1 1 300.427 3.587 20 30 DHEDMO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CC[C@@H]1c1ccccc1 ZINC000517478594 1012993378 /nfs/dbraw/zinc/99/33/78/1012993378.db2.gz NHEHHJAAZXYDLE-PXNSSMCTSA-N 1 1 305.425 3.969 20 30 DHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000336864543 1013018425 /nfs/dbraw/zinc/01/84/25/1013018425.db2.gz GYOGQLZLBDLBHI-SJLPKXTDSA-N 1 1 311.429 3.541 20 30 DHEDMO C=C(C)C[N@H+](Cc1cnc(N(C)C)s1)Cc1ccccc1 ZINC000475286161 1017117582 /nfs/dbraw/zinc/11/75/82/1017117582.db2.gz JHDFNEVNPZLBBC-UHFFFAOYSA-N 1 1 301.459 3.787 20 30 DHEDMO C=CCC[N@@H+](C)CC(=O)c1cc(C)n(Cc2cccs2)c1C ZINC000342730699 1017120359 /nfs/dbraw/zinc/12/03/59/1017120359.db2.gz YYQWGWBSMZYSHG-UHFFFAOYSA-N 1 1 316.470 3.905 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)c1cc(C)n(Cc2cccs2)c1C ZINC000342730699 1017120365 /nfs/dbraw/zinc/12/03/65/1017120365.db2.gz YYQWGWBSMZYSHG-UHFFFAOYSA-N 1 1 316.470 3.905 20 30 DHEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000342732913 1017122878 /nfs/dbraw/zinc/12/28/78/1017122878.db2.gz FGTJJWVVXCYMKS-ZIAGYGMSSA-N 1 1 300.402 3.506 20 30 DHEDMO CCC[N@@H+](Cc1cn2cccc(C)c2n1)Cc1ccc(C#N)cc1 ZINC000051855237 1017182260 /nfs/dbraw/zinc/18/22/60/1017182260.db2.gz XJHUGFDBQIAXAZ-UHFFFAOYSA-N 1 1 318.424 3.927 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+](Cc2ccc(C)cc2C)CC(C)C)C1=O ZINC001171446516 1032691532 /nfs/dbraw/zinc/69/15/32/1032691532.db2.gz LRJQGDMZFLIBHJ-LJQANCHMSA-N 1 1 314.473 3.548 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2cc3cc(OC)ccc3o2)CC1 ZINC000125164754 1032693061 /nfs/dbraw/zinc/69/30/61/1032693061.db2.gz RSUBOAVUQHLVEG-UHFFFAOYSA-N 1 1 314.429 3.572 20 30 DHEDMO N#Cc1ccc(C[NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000067507079 1017370515 /nfs/dbraw/zinc/37/05/15/1017370515.db2.gz RUKJDEZYYRRPDF-NRFANRHFSA-N 1 1 319.452 3.560 20 30 DHEDMO N#Cc1ccc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000067507079 1017370524 /nfs/dbraw/zinc/37/05/24/1017370524.db2.gz RUKJDEZYYRRPDF-NRFANRHFSA-N 1 1 319.452 3.560 20 30 DHEDMO N#Cc1ccc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000067507079 1017370529 /nfs/dbraw/zinc/37/05/29/1017370529.db2.gz RUKJDEZYYRRPDF-NRFANRHFSA-N 1 1 319.452 3.560 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000076153631 1017380651 /nfs/dbraw/zinc/38/06/51/1017380651.db2.gz RFIDZLDLRDMTRZ-WOJBJXKFSA-N 1 1 301.393 3.830 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000076153631 1017380662 /nfs/dbraw/zinc/38/06/62/1017380662.db2.gz RFIDZLDLRDMTRZ-WOJBJXKFSA-N 1 1 301.393 3.830 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)cc1 ZINC000347339821 1017544817 /nfs/dbraw/zinc/54/48/17/1017544817.db2.gz NCBXJFVLAZDNCK-ZWKOTPCHSA-N 1 1 324.449 3.559 20 30 DHEDMO Cc1cccc(C[NH+]2CCN(CCCCC(C)(C)C#N)CC2)c1 ZINC000444591517 1017581352 /nfs/dbraw/zinc/58/13/52/1017581352.db2.gz GWFZBBLYDSNJSM-UHFFFAOYSA-N 1 1 313.489 3.833 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000444666492 1017618017 /nfs/dbraw/zinc/61/80/17/1017618017.db2.gz WSHYZHRJHWAIBQ-LJQANCHMSA-N 1 1 314.473 3.980 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H]2C(C)C)cc1OCCCC#N ZINC000342864082 1017618905 /nfs/dbraw/zinc/61/89/05/1017618905.db2.gz ZWZCTCRQNIUSSK-MRXNPFEDSA-N 1 1 302.418 3.608 20 30 DHEDMO Cc1cc(C)cc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)c1 ZINC000444718659 1017649498 /nfs/dbraw/zinc/64/94/98/1017649498.db2.gz WHMHUGSBZBPVHG-UHFFFAOYSA-N 1 1 321.424 3.636 20 30 DHEDMO C=C(Br)C[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000125675541 1032714499 /nfs/dbraw/zinc/71/44/99/1032714499.db2.gz WQADPWKFDHCYTC-UHFFFAOYSA-N 1 1 309.251 3.780 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC12CCC2 ZINC000444780727 1017661444 /nfs/dbraw/zinc/66/14/44/1017661444.db2.gz FISLBSJBZSCJPW-UHFFFAOYSA-N 1 1 316.470 3.922 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2nc([C@@H](C)OCC)no2)CCCC1(C)C ZINC000444778819 1017674583 /nfs/dbraw/zinc/67/45/83/1017674583.db2.gz ABXYWSHTTDOALF-ZIAGYGMSSA-N 1 1 307.438 3.734 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2nc([C@@H](C)OCC)no2)CCCC1(C)C ZINC000444778819 1017674588 /nfs/dbraw/zinc/67/45/88/1017674588.db2.gz ABXYWSHTTDOALF-ZIAGYGMSSA-N 1 1 307.438 3.734 20 30 DHEDMO C=CC[C@@H]1[N@H+](CC(=O)Nc2ccccc2F)CCCC1(C)C ZINC000444787245 1017679517 /nfs/dbraw/zinc/67/95/17/1017679517.db2.gz QOUUWQILPQEHIW-INIZCTEOSA-N 1 1 304.409 3.831 20 30 DHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC23CCC3)cc1Cl ZINC000444789894 1017680688 /nfs/dbraw/zinc/68/06/88/1017680688.db2.gz GOQWBEGTBLWQMI-UHFFFAOYSA-N 1 1 317.820 3.559 20 30 DHEDMO N#Cc1ccc(Cl)c(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1 ZINC001140599973 1017718969 /nfs/dbraw/zinc/71/89/69/1017718969.db2.gz YKQDLRVSBUSBBJ-VXGBXAGGSA-N 1 1 320.717 3.791 20 30 DHEDMO N#Cc1ccc(Cl)c(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1 ZINC001140599973 1017718989 /nfs/dbraw/zinc/71/89/89/1017718989.db2.gz YKQDLRVSBUSBBJ-VXGBXAGGSA-N 1 1 320.717 3.791 20 30 DHEDMO N#Cc1ccccc1C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000523607574 1017742808 /nfs/dbraw/zinc/74/28/08/1017742808.db2.gz KCKCXYVLKIANDA-UHFFFAOYSA-N 1 1 320.436 3.987 20 30 DHEDMO N#Cc1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C(F)(F)F ZINC000091479523 1017759665 /nfs/dbraw/zinc/75/96/65/1017759665.db2.gz OHRDCLJVYHDEES-LBPRGKRZSA-N 1 1 320.318 3.684 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NCc2ccccc2C#N)nc1 ZINC001167635582 1017815477 /nfs/dbraw/zinc/81/54/77/1017815477.db2.gz PYFBKXDKIUGSKM-MRXNPFEDSA-N 1 1 320.440 3.940 20 30 DHEDMO C=CC[N@H+](CCC(C)(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000524175804 1017921588 /nfs/dbraw/zinc/92/15/88/1017921588.db2.gz YWHFFFBEIYSUSD-OAHLLOKOSA-N 1 1 313.449 3.648 20 30 DHEDMO CCc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000445815644 1017981647 /nfs/dbraw/zinc/98/16/47/1017981647.db2.gz MYUWWKQBPNYMLZ-HXUWFJFHSA-N 1 1 306.409 3.694 20 30 DHEDMO CCc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000445815644 1017981665 /nfs/dbraw/zinc/98/16/65/1017981665.db2.gz MYUWWKQBPNYMLZ-HXUWFJFHSA-N 1 1 306.409 3.694 20 30 DHEDMO C=CCN(CC=C)C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000153779765 1018015024 /nfs/dbraw/zinc/01/50/24/1018015024.db2.gz KXTFZWDUUNKUPF-UHFFFAOYSA-N 1 1 300.446 3.731 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+]2CCCCC(C)(C)C2)c(C#N)c1C ZINC000446065275 1018043339 /nfs/dbraw/zinc/04/33/39/1018043339.db2.gz ZZTFWWFKLBSCBP-UHFFFAOYSA-N 1 1 319.474 3.687 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2CCCCC(C)(C)C2)c(C#N)c1C ZINC000446065275 1018043354 /nfs/dbraw/zinc/04/33/54/1018043354.db2.gz ZZTFWWFKLBSCBP-UHFFFAOYSA-N 1 1 319.474 3.687 20 30 DHEDMO COCC#CC[N@@H+](Cc1ccccc1Br)CC(C)C ZINC001167652867 1018070453 /nfs/dbraw/zinc/07/04/53/1018070453.db2.gz BUIWVKBTXWJRRD-UHFFFAOYSA-N 1 1 324.262 3.557 20 30 DHEDMO COCC#CC[N@H+](Cc1ccccc1Br)CC(C)C ZINC001167652867 1018070460 /nfs/dbraw/zinc/07/04/60/1018070460.db2.gz BUIWVKBTXWJRRD-UHFFFAOYSA-N 1 1 324.262 3.557 20 30 DHEDMO C=CCCCCCN(C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000524831220 1018102190 /nfs/dbraw/zinc/10/21/90/1018102190.db2.gz RVVVHYDHPGRSCR-IRXDYDNUSA-N 1 1 309.498 3.637 20 30 DHEDMO Cc1cnc([C@@H]([NH2+]CC#Cc2ccc(F)cc2)C2CC2)s1 ZINC000185281796 1018115369 /nfs/dbraw/zinc/11/53/69/1018115369.db2.gz YZOGNYDCIAMJOT-INIZCTEOSA-N 1 1 300.402 3.683 20 30 DHEDMO Fc1ccc(C#CC[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000126708157 1032747481 /nfs/dbraw/zinc/74/74/81/1032747481.db2.gz ZJMSGFLWYUHPAZ-UHFFFAOYSA-N 1 1 300.402 3.693 20 30 DHEDMO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000121688470 1018254783 /nfs/dbraw/zinc/25/47/83/1018254783.db2.gz BDPCZSDSIFIILL-OLZOCXBDSA-N 1 1 313.426 3.539 20 30 DHEDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000121688470 1018254805 /nfs/dbraw/zinc/25/48/05/1018254805.db2.gz BDPCZSDSIFIILL-OLZOCXBDSA-N 1 1 313.426 3.539 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCc3ccsc3C2)cc1 ZINC000127073571 1032757444 /nfs/dbraw/zinc/75/74/44/1032757444.db2.gz INWQUDRUNGXFIZ-UHFFFAOYSA-N 1 1 311.454 3.656 20 30 DHEDMO C=CC(C)(C)CC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001127776852 1018314129 /nfs/dbraw/zinc/31/41/29/1018314129.db2.gz VZNJJPYCWUZFEG-SFHVURJKSA-N 1 1 314.473 3.712 20 30 DHEDMO Cc1ccc(C#N)c(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000245707754 1018323240 /nfs/dbraw/zinc/32/32/40/1018323240.db2.gz DRGDXJRNLMKUSS-LPHOPBHVSA-N 1 1 320.440 3.727 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000150893729 1018328503 /nfs/dbraw/zinc/32/85/03/1018328503.db2.gz XBXYEDBOABRJGR-HNNXBMFYSA-N 1 1 320.502 3.700 20 30 DHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000246109481 1018404322 /nfs/dbraw/zinc/40/43/22/1018404322.db2.gz DQKNWWCLMQVEPP-RVKKMQEKSA-N 1 1 311.429 3.540 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2cccnc2Oc2cccc(F)c2)o1 ZINC000174267719 1018406399 /nfs/dbraw/zinc/40/63/99/1018406399.db2.gz PIPRZXQHMDNCOC-UHFFFAOYSA-N 1 1 323.327 3.767 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246277785 1018442210 /nfs/dbraw/zinc/44/22/10/1018442210.db2.gz ARCSQHHSPYBHFC-BPAFIMBUSA-N 1 1 309.457 3.568 20 30 DHEDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000447835027 1018484054 /nfs/dbraw/zinc/48/40/54/1018484054.db2.gz MGPFSUJXTCCDCW-RDJZCZTQSA-N 1 1 300.446 3.613 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cn2)[C@H](C)C2CC2)cc1 ZINC000583508024 1018518452 /nfs/dbraw/zinc/51/84/52/1018518452.db2.gz XNYBLOCQFPNUSB-OAHLLOKOSA-N 1 1 321.424 3.763 20 30 DHEDMO C=C[C@@H](CC(=O)N[C@@H](C)C[N@H+](CC)CCC)c1ccccc1 ZINC000583538171 1018542467 /nfs/dbraw/zinc/54/24/67/1018542467.db2.gz AYSZSEAZMMQLKV-IRXDYDNUSA-N 1 1 302.462 3.583 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1c(C)cccc1C(C)C)[C@@H](C)COC ZINC000661248940 1018716073 /nfs/dbraw/zinc/71/60/73/1018716073.db2.gz WVGOLFCCNJVLGG-INIZCTEOSA-N 1 1 318.461 3.580 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1C(C)C)[C@@H](C)COC ZINC000661248940 1018716084 /nfs/dbraw/zinc/71/60/84/1018716084.db2.gz WVGOLFCCNJVLGG-INIZCTEOSA-N 1 1 318.461 3.580 20 30 DHEDMO C[C@@H]1C[C@H](NCC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000405150682 1018732177 /nfs/dbraw/zinc/73/21/77/1018732177.db2.gz OKFYUTBAARMCSP-IEBWSBKVSA-N 1 1 311.473 3.713 20 30 DHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000676557715 1018771946 /nfs/dbraw/zinc/77/19/46/1018771946.db2.gz QSDFEISXCAYBIV-MRXNPFEDSA-N 1 1 309.331 3.811 20 30 DHEDMO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000619622799 1018783282 /nfs/dbraw/zinc/78/32/82/1018783282.db2.gz XWGKGDYOGXYRPL-IBGZPJMESA-N 1 1 322.456 3.948 20 30 DHEDMO N#Cc1cc(F)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000109810494 1018812076 /nfs/dbraw/zinc/81/20/76/1018812076.db2.gz SUWZVQBULCMRIU-OAHLLOKOSA-N 1 1 313.351 3.523 20 30 DHEDMO COc1c(C)cc(C[N@@H+](C)CCOc2ccccc2C#N)cc1C ZINC000110294810 1018881854 /nfs/dbraw/zinc/88/18/54/1018881854.db2.gz GXPVYXMMOFHIAZ-UHFFFAOYSA-N 1 1 324.424 3.695 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1F ZINC000368269787 1018990075 /nfs/dbraw/zinc/99/00/75/1018990075.db2.gz NRZWPPYRPFZHIH-BHIYHBOVSA-N 1 1 316.420 3.603 20 30 DHEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC001167674331 1019020169 /nfs/dbraw/zinc/02/01/69/1019020169.db2.gz JSYLBAFQOSYJCY-SJORKVTESA-N 1 1 315.461 3.793 20 30 DHEDMO C=C(C)[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000248586473 1019054699 /nfs/dbraw/zinc/05/46/99/1019054699.db2.gz XVLHPZUKINKVHH-DFHBCGBQSA-N 1 1 306.400 3.797 20 30 DHEDMO C=C(C)[C@H](N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000248586473 1019054711 /nfs/dbraw/zinc/05/47/11/1019054711.db2.gz XVLHPZUKINKVHH-DFHBCGBQSA-N 1 1 306.400 3.797 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](Cc2cccs2)C(C)(C)CCC)C1=O ZINC000565129870 1019118144 /nfs/dbraw/zinc/11/81/44/1019118144.db2.gz PATPVPNVVAVAKA-INIZCTEOSA-N 1 1 320.502 3.916 20 30 DHEDMO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000112657584 1019161070 /nfs/dbraw/zinc/16/10/70/1019161070.db2.gz XEOLKFCJPQBEAW-HXUWFJFHSA-N 1 1 308.425 3.577 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248688086 1019201861 /nfs/dbraw/zinc/20/18/61/1019201861.db2.gz HXMAGGVZAKCJTF-XLIONFOSSA-N 1 1 314.473 3.712 20 30 DHEDMO CC(C)[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000521221631 1019204928 /nfs/dbraw/zinc/20/49/28/1019204928.db2.gz OUBXLVARVJMTJM-UHFFFAOYSA-N 1 1 312.388 3.987 20 30 DHEDMO N#Cc1cc(Br)ccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000311205630 1019238970 /nfs/dbraw/zinc/23/89/70/1019238970.db2.gz MNDOYJMVZGBDJO-RYUDHWBXSA-N 1 1 305.219 3.553 20 30 DHEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)Cc1cccs1 ZINC000077247468 1019266928 /nfs/dbraw/zinc/26/69/28/1019266928.db2.gz MUVABEDYWMXXSZ-UHFFFAOYSA-N 1 1 316.426 3.529 20 30 DHEDMO Cc1ccccc1[C@@H]([C@@H](C)NCc1csc(C#N)c1)[NH+](C)C ZINC000922040676 1019359322 /nfs/dbraw/zinc/35/93/22/1019359322.db2.gz NUZYPKRHYUJVQC-RDTXWAMCSA-N 1 1 313.470 3.709 20 30 DHEDMO CC(C)[N@H+](Cc1cn2cccc(F)c2n1)Cc1ccc(C#N)cc1 ZINC000611254814 1019421293 /nfs/dbraw/zinc/42/12/93/1019421293.db2.gz ZAUKUEVAIVNOIT-UHFFFAOYSA-N 1 1 322.387 3.756 20 30 DHEDMO CC(C)[N@@H+](Cc1cn2cccc(F)c2n1)Cc1ccc(C#N)cc1 ZINC000611254814 1019421302 /nfs/dbraw/zinc/42/13/02/1019421302.db2.gz ZAUKUEVAIVNOIT-UHFFFAOYSA-N 1 1 322.387 3.756 20 30 DHEDMO CC[C@@H](C)Oc1cc(C[N@H+](CCC#N)C(C)C)ccc1OC ZINC000611259163 1019425057 /nfs/dbraw/zinc/42/50/57/1019425057.db2.gz FEWQIKAKWKOHPC-OAHLLOKOSA-N 1 1 304.434 3.997 20 30 DHEDMO CC[C@@H](C)Oc1cc(C[N@@H+](CCC#N)C(C)C)ccc1OC ZINC000611259163 1019425063 /nfs/dbraw/zinc/42/50/63/1019425063.db2.gz FEWQIKAKWKOHPC-OAHLLOKOSA-N 1 1 304.434 3.997 20 30 DHEDMO C[C@@H]1Cc2ccccc2N1C1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000611266425 1019426431 /nfs/dbraw/zinc/42/64/31/1019426431.db2.gz FOZZAQFBMBFWCZ-OAHLLOKOSA-N 1 1 321.424 3.567 20 30 DHEDMO CCCC[N@@H+](CCC(=O)N(C)CCC#N)[C@@H](C)c1ccc(C)o1 ZINC000611302411 1019437392 /nfs/dbraw/zinc/43/73/92/1019437392.db2.gz YSXDUSGJUNDCIP-INIZCTEOSA-N 1 1 319.449 3.513 20 30 DHEDMO CC[C@@]1(C)CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000611347534 1019457814 /nfs/dbraw/zinc/45/78/14/1019457814.db2.gz FXONPTSOWPEABE-IBGZPJMESA-N 1 1 308.429 3.674 20 30 DHEDMO CC[C@@]1(C)CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000611347534 1019457817 /nfs/dbraw/zinc/45/78/17/1019457817.db2.gz FXONPTSOWPEABE-IBGZPJMESA-N 1 1 308.429 3.674 20 30 DHEDMO C[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000611390576 1019464992 /nfs/dbraw/zinc/46/49/92/1019464992.db2.gz IUEFAAYRNHBJEU-GUXCAODWSA-N 1 1 311.473 3.646 20 30 DHEDMO C[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000611390576 1019464998 /nfs/dbraw/zinc/46/49/98/1019464998.db2.gz IUEFAAYRNHBJEU-GUXCAODWSA-N 1 1 311.473 3.646 20 30 DHEDMO CC(C)[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)[NH+]1CCCC1 ZINC000611391001 1019474243 /nfs/dbraw/zinc/47/42/43/1019474243.db2.gz ZFBHMRJTMXLMSP-VQTJNVASSA-N 1 1 311.473 3.646 20 30 DHEDMO Cc1[nH+]ccn1CCCCNc1c(C#N)cnc2c(C)cccc21 ZINC000078336376 1019488137 /nfs/dbraw/zinc/48/81/37/1019488137.db2.gz DIXGTNILQGOAAN-UHFFFAOYSA-N 1 1 319.412 3.812 20 30 DHEDMO Cn1c[nH+]c2cc(N[C@@H]3CCCc4cc(C#N)ccc43)ccc21 ZINC000611483217 1019499526 /nfs/dbraw/zinc/49/95/26/1019499526.db2.gz LQDOQAYYZHHJHQ-QGZVFWFLSA-N 1 1 302.381 3.934 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1Br)CC1CC1 ZINC000611500633 1019505456 /nfs/dbraw/zinc/50/54/56/1019505456.db2.gz FPYYORRHQIFIDS-UHFFFAOYSA-N 1 1 307.235 3.941 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2C2CC2)c(Br)c1 ZINC000611500860 1019505728 /nfs/dbraw/zinc/50/57/28/1019505728.db2.gz WJUASKDWDGSIIA-HNNXBMFYSA-N 1 1 305.219 3.695 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000611554310 1019515420 /nfs/dbraw/zinc/51/54/20/1019515420.db2.gz KURSWNZBOIJDCT-FZMZJTMJSA-N 1 1 312.335 3.730 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000611554310 1019515432 /nfs/dbraw/zinc/51/54/32/1019515432.db2.gz KURSWNZBOIJDCT-FZMZJTMJSA-N 1 1 312.335 3.730 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)CCc2ncc(C)s2)cc1 ZINC000093773450 1019583794 /nfs/dbraw/zinc/58/37/94/1019583794.db2.gz ARECLZSFXXZHQC-UHFFFAOYSA-N 1 1 302.443 3.691 20 30 DHEDMO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CC(C)(C)CCC#N)n1 ZINC000093885944 1019589868 /nfs/dbraw/zinc/58/98/68/1019589868.db2.gz CZBOWEDIXKZTOG-AWEZNQCLSA-N 1 1 322.453 3.565 20 30 DHEDMO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CC(C)(C)CCC#N)n1 ZINC000093885944 1019589877 /nfs/dbraw/zinc/58/98/77/1019589877.db2.gz CZBOWEDIXKZTOG-AWEZNQCLSA-N 1 1 322.453 3.565 20 30 DHEDMO C[C@@H]1C[C@@H](N[C@H](C#N)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001171721378 1032842117 /nfs/dbraw/zinc/84/21/17/1032842117.db2.gz QFNYXQUJHBLJHX-NSISKUIASA-N 1 1 305.425 3.504 20 30 DHEDMO C[C@@H]1C[C@H](N[C@H](C#N)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001171721377 1032845026 /nfs/dbraw/zinc/84/50/26/1032845026.db2.gz QFNYXQUJHBLJHX-LSTHTHJFSA-N 1 1 305.425 3.504 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000370096625 1019663023 /nfs/dbraw/zinc/66/30/23/1019663023.db2.gz FRLWBDHOGSKRGH-DYESRHJHSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000370096625 1019663030 /nfs/dbraw/zinc/66/30/30/1019663030.db2.gz FRLWBDHOGSKRGH-DYESRHJHSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000347578538 1019720292 /nfs/dbraw/zinc/72/02/92/1019720292.db2.gz ILMOXYJGMOHRMC-CHWSQXEVSA-N 1 1 319.836 3.518 20 30 DHEDMO Clc1ccccc1C[NH+]1CCC(=NNC2CCCC2)CC1 ZINC000727652183 1019747112 /nfs/dbraw/zinc/74/71/12/1019747112.db2.gz VRODLAKWJLRDAV-UHFFFAOYSA-N 1 1 305.853 3.824 20 30 DHEDMO CN(C)c1ccc(C=[NH+]NCc2ccccc2Cl)cc1F ZINC000727651277 1019747674 /nfs/dbraw/zinc/74/76/74/1019747674.db2.gz QYPMGDNHKWHSKP-UHFFFAOYSA-N 1 1 305.784 3.669 20 30 DHEDMO CN(C)c1ccc(C=[NH+]Nc2cccc3ncccc32)cc1F ZINC000727651156 1019748138 /nfs/dbraw/zinc/74/81/38/1019748138.db2.gz KOZUJJBFVUMGKC-UHFFFAOYSA-N 1 1 308.360 3.886 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000336845329 1032851160 /nfs/dbraw/zinc/85/11/60/1032851160.db2.gz KOAAENRWLDMHDC-HZPDHXFCSA-N 1 1 310.507 3.693 20 30 DHEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000302805021 1019792163 /nfs/dbraw/zinc/79/21/63/1019792163.db2.gz BANQNKWUNMUSDE-INIZCTEOSA-N 1 1 308.425 3.691 20 30 DHEDMO N#CCOc1ccc(C[N@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000264116534 1032856307 /nfs/dbraw/zinc/85/63/07/1032856307.db2.gz KAGYJXXWPAAANL-UHFFFAOYSA-N 1 1 310.372 3.893 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000685464464 1019849363 /nfs/dbraw/zinc/84/93/63/1019849363.db2.gz JKNVROITOAVGAE-QZTJIDSGSA-N 1 1 315.457 3.890 20 30 DHEDMO CC(C)(C)[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000116309496 1019864944 /nfs/dbraw/zinc/86/49/44/1019864944.db2.gz GWGBYFMQOLZCOK-CQSZACIVSA-N 1 1 319.474 3.706 20 30 DHEDMO CC(C)(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000116309496 1019864979 /nfs/dbraw/zinc/86/49/79/1019864979.db2.gz GWGBYFMQOLZCOK-CQSZACIVSA-N 1 1 319.474 3.706 20 30 DHEDMO C=C(C)CN1CCC([NH2+]Cc2cc(C)ccc2OC(F)F)CC1 ZINC000176232222 1019947639 /nfs/dbraw/zinc/94/76/39/1019947639.db2.gz IXAJHZVWUBQOTE-UHFFFAOYSA-N 1 1 324.415 3.727 20 30 DHEDMO C=CCSc1nc2ccccc2n1C[N@H+](CC)CCOCC ZINC000730801669 1020026793 /nfs/dbraw/zinc/02/67/93/1020026793.db2.gz FZWBLGZSACEKDG-UHFFFAOYSA-N 1 1 319.474 3.630 20 30 DHEDMO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000731212323 1020078691 /nfs/dbraw/zinc/07/86/91/1020078691.db2.gz GROVWTFEYSOTJZ-HNNXBMFYSA-N 1 1 308.381 3.545 20 30 DHEDMO Cc1nsc(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1C#N ZINC000329358587 1020173017 /nfs/dbraw/zinc/17/30/17/1020173017.db2.gz GFCMHYFOUPHZDU-HIFRSBDPSA-N 1 1 312.442 3.571 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)nc1 ZINC000858407046 1032881303 /nfs/dbraw/zinc/88/13/03/1032881303.db2.gz BVLFQFZLTHWJKB-MRXNPFEDSA-N 1 1 301.752 3.523 20 30 DHEDMO CC[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000732206167 1020209793 /nfs/dbraw/zinc/20/97/93/1020209793.db2.gz RMSXKMWMZORPQT-NVXWUHKLSA-N 1 1 315.461 3.608 20 30 DHEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000619621182 1020251514 /nfs/dbraw/zinc/25/15/14/1020251514.db2.gz CEBNSQZBBHBNBE-ZIAGYGMSSA-N 1 1 318.383 3.750 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000331291707 1020261256 /nfs/dbraw/zinc/26/12/56/1020261256.db2.gz WOSCRJUPANCFIL-WMLDXEAASA-N 1 1 314.429 3.673 20 30 DHEDMO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000075636798 1020317252 /nfs/dbraw/zinc/31/72/52/1020317252.db2.gz CLJUIBJCPPYRMM-UHFFFAOYSA-N 1 1 310.401 3.763 20 30 DHEDMO N#Cc1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C(F)(F)F ZINC000364172071 1020422907 /nfs/dbraw/zinc/42/29/07/1020422907.db2.gz BVGSMMGOLJXINN-UONOGXRCSA-N 1 1 309.335 3.616 20 30 DHEDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1cnc2ccc(C#N)cn12 ZINC000179726317 1020438991 /nfs/dbraw/zinc/43/89/91/1020438991.db2.gz XUEZREIFNPJIBS-UHFFFAOYSA-N 1 1 324.815 3.534 20 30 DHEDMO CCOc1ccc(C[N@@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000337127124 1032901542 /nfs/dbraw/zinc/90/15/42/1032901542.db2.gz GQMFAIDWRJEPNA-UHFFFAOYSA-N 1 1 316.445 3.618 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC001171848110 1032902359 /nfs/dbraw/zinc/90/23/59/1032902359.db2.gz YVFAXYRHSQHPPY-CQSZACIVSA-N 1 1 316.836 3.709 20 30 DHEDMO C=CCOCCC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000348048558 1020492661 /nfs/dbraw/zinc/49/26/61/1020492661.db2.gz HDPFDYFZZHWSRX-UHFFFAOYSA-N 1 1 303.446 3.508 20 30 DHEDMO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1cccc(C#N)c1 ZINC000364762680 1020498874 /nfs/dbraw/zinc/49/88/74/1020498874.db2.gz BOYLWCJPHTUAPK-YWZLYKJASA-N 1 1 316.408 3.732 20 30 DHEDMO C=CCCCN(CC)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000892490328 1020526519 /nfs/dbraw/zinc/52/65/19/1020526519.db2.gz QTTBJLMSDUDKDN-UHFFFAOYSA-N 1 1 317.477 3.636 20 30 DHEDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC000612461442 1020567052 /nfs/dbraw/zinc/56/70/52/1020567052.db2.gz BAQDGLUOVBQVBZ-SECBINFHSA-N 1 1 321.327 3.615 20 30 DHEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCCC2(C#N)CCOCC2)s1 ZINC000337194841 1032917770 /nfs/dbraw/zinc/91/77/70/1032917770.db2.gz VNRMRKCAZNUALF-CQSZACIVSA-N 1 1 321.490 3.853 20 30 DHEDMO CC(C)(C#N)C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000612584858 1020632801 /nfs/dbraw/zinc/63/28/01/1020632801.db2.gz DXHPUNMQKSGUHF-UHFFFAOYSA-N 1 1 311.212 3.909 20 30 DHEDMO Cc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2OCC#N)o1 ZINC000735306019 1020716837 /nfs/dbraw/zinc/71/68/37/1020716837.db2.gz GVGUQIVUCRNGTI-UHFFFAOYSA-N 1 1 304.777 3.776 20 30 DHEDMO Cc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2OCC#N)o1 ZINC000735306019 1020716842 /nfs/dbraw/zinc/71/68/42/1020716842.db2.gz GVGUQIVUCRNGTI-UHFFFAOYSA-N 1 1 304.777 3.776 20 30 DHEDMO C=CC1CC[NH+](Cn2ncc3c2cccc3Br)CC1 ZINC000735486574 1020739339 /nfs/dbraw/zinc/73/93/39/1020739339.db2.gz VUIYXHWFLHNNLL-UHFFFAOYSA-N 1 1 320.234 3.654 20 30 DHEDMO C[N@@H+](CCSc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000612998766 1020770570 /nfs/dbraw/zinc/77/05/70/1020770570.db2.gz IFXASVBKPBRLFW-UHFFFAOYSA-N 1 1 300.402 3.921 20 30 DHEDMO C=CCCC(=O)OC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000735898300 1020776484 /nfs/dbraw/zinc/77/64/84/1020776484.db2.gz GLUKVFRFSXLCLP-LPHOPBHVSA-N 1 1 317.429 3.588 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000685849632 1020821175 /nfs/dbraw/zinc/82/11/75/1020821175.db2.gz SKLWQCPOCJZRRG-QZTJIDSGSA-N 1 1 301.430 3.641 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000736624156 1020824370 /nfs/dbraw/zinc/82/43/70/1020824370.db2.gz YRXZGWBYCBEEEQ-UHFFFAOYSA-N 1 1 317.477 3.758 20 30 DHEDMO CCCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001267544391 1020834879 /nfs/dbraw/zinc/83/48/79/1020834879.db2.gz XRQIFDHYDHNNBL-PKOBYXMFSA-N 1 1 316.489 3.984 20 30 DHEDMO C=CCCCCC[N@H+](C)CN1C[C@@H](c2cccc(F)c2)CC1=O ZINC000739886155 1020919456 /nfs/dbraw/zinc/91/94/56/1020919456.db2.gz XPTBPLOBCSGDKM-KRWDZBQOSA-N 1 1 318.436 3.777 20 30 DHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@H](C)c1ccccc1 ZINC000739912744 1020923733 /nfs/dbraw/zinc/92/37/33/1020923733.db2.gz SOQZKAFNTBEXQZ-KXBFYZLASA-N 1 1 322.408 3.508 20 30 DHEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000739912744 1020923740 /nfs/dbraw/zinc/92/37/40/1020923740.db2.gz SOQZKAFNTBEXQZ-KXBFYZLASA-N 1 1 322.408 3.508 20 30 DHEDMO CCC[N@@H+](CC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000264495311 1032941489 /nfs/dbraw/zinc/94/14/89/1032941489.db2.gz UFRLIKICQVZKQA-AWEZNQCLSA-N 1 1 319.474 3.751 20 30 DHEDMO C=CCCOC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000740247715 1020930458 /nfs/dbraw/zinc/93/04/58/1020930458.db2.gz XMDHHOQEBSTAOZ-MRXNPFEDSA-N 1 1 317.429 3.673 20 30 DHEDMO C#Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000741143913 1020986230 /nfs/dbraw/zinc/98/62/30/1020986230.db2.gz ABJDDQKBBINNEM-FQEVSTJZSA-N 1 1 318.420 3.661 20 30 DHEDMO COc1ccc(Cl)cc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000742381868 1021109933 /nfs/dbraw/zinc/10/99/33/1021109933.db2.gz PIDGBSWPXGQQDK-UHFFFAOYSA-N 1 1 304.752 3.649 20 30 DHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(C)s1)CCO2 ZINC000096051887 1032960784 /nfs/dbraw/zinc/96/07/84/1032960784.db2.gz WMEQQKGFHQPWHL-FUHWJXTLSA-N 1 1 321.486 3.630 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)C(C)C ZINC000917166690 1021206501 /nfs/dbraw/zinc/20/65/01/1021206501.db2.gz AECPHFWCZWVLDS-UHFFFAOYSA-N 1 1 300.324 3.540 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)C(C)C ZINC000917166690 1021206513 /nfs/dbraw/zinc/20/65/13/1021206513.db2.gz AECPHFWCZWVLDS-UHFFFAOYSA-N 1 1 300.324 3.540 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H]2CCCc3ccccc32)c1 ZINC000917153753 1021207610 /nfs/dbraw/zinc/20/76/10/1021207610.db2.gz GLPDSOGGBQPMHJ-HXUWFJFHSA-N 1 1 318.420 3.616 20 30 DHEDMO CCN(CC)c1ccc(C[N@@H+](CCC#N)C2CCCC2)c(O)c1 ZINC001140855371 1021264580 /nfs/dbraw/zinc/26/45/80/1021264580.db2.gz WOVIJMDEPRGIKT-UHFFFAOYSA-N 1 1 315.461 3.897 20 30 DHEDMO N#Cc1ccccc1O[C@H]1CCC[N@H+](CCCC(F)(F)F)C1 ZINC001202434089 1021270030 /nfs/dbraw/zinc/27/00/30/1021270030.db2.gz YLPKGXLXXNZWBU-AWEZNQCLSA-N 1 1 312.335 3.744 20 30 DHEDMO CC[NH+](CC)[C@H](C(=O)OCCC(C)(C)C#N)c1ccccc1 ZINC000776387145 1021334550 /nfs/dbraw/zinc/33/45/50/1021334550.db2.gz YPOVMIYGNTYWAW-INIZCTEOSA-N 1 1 302.418 3.553 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987710 1032972249 /nfs/dbraw/zinc/97/22/49/1032972249.db2.gz HUBGCDWZZAIIGK-UYAOXDASSA-N 1 1 310.485 3.775 20 30 DHEDMO Oc1ccc(Cl)cc1/C=N/CC[N@H+]1CCc2sccc2C1 ZINC000122209011 1021359131 /nfs/dbraw/zinc/35/91/31/1021359131.db2.gz HFVMXQRUQOFVRE-VCHYOVAHSA-N 1 1 320.845 3.584 20 30 DHEDMO C=CCCC[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000128882689 1021365400 /nfs/dbraw/zinc/36/54/00/1021365400.db2.gz KRIDDDGYIRDNJN-UHFFFAOYSA-N 1 1 311.351 3.990 20 30 DHEDMO CC[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)CCS1 ZINC000743870579 1021398881 /nfs/dbraw/zinc/39/88/81/1021398881.db2.gz YBWNMGJVFDBLQE-CQSZACIVSA-N 1 1 310.850 3.570 20 30 DHEDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)CCS1 ZINC000743870579 1021398897 /nfs/dbraw/zinc/39/88/97/1021398897.db2.gz YBWNMGJVFDBLQE-CQSZACIVSA-N 1 1 310.850 3.570 20 30 DHEDMO CC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc(OC)cc1C#N ZINC001137706387 1021414773 /nfs/dbraw/zinc/41/47/73/1021414773.db2.gz ZYVBOSKXRSPFQJ-UHFFFAOYSA-N 1 1 324.424 3.640 20 30 DHEDMO N#C[C@@H]1CCCN1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079960 1032981130 /nfs/dbraw/zinc/98/11/30/1032981130.db2.gz RJUISAOYGPGQNA-YRPNKDGESA-N 1 1 309.457 3.560 20 30 DHEDMO N#CC1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172075643 1032982245 /nfs/dbraw/zinc/98/22/45/1032982245.db2.gz CUCFHGKJWGXIIG-WKCHPHFGSA-N 1 1 323.484 3.808 20 30 DHEDMO N#CC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172075643 1032982277 /nfs/dbraw/zinc/98/22/77/1032982277.db2.gz CUCFHGKJWGXIIG-WKCHPHFGSA-N 1 1 323.484 3.808 20 30 DHEDMO CC[N@@H+](CCC#N)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172092455 1032984065 /nfs/dbraw/zinc/98/40/65/1032984065.db2.gz CTDZMXMRUUEOEA-MUJYYYPQSA-N 1 1 321.465 3.543 20 30 DHEDMO CCOc1ccc(NCc2ccc(N(C)CCC#N)cc2)[nH+]c1C ZINC000850410632 1021518301 /nfs/dbraw/zinc/51/83/01/1021518301.db2.gz YNLRSTVBYWICAK-UHFFFAOYSA-N 1 1 324.428 3.751 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(CC)c1nc2ccccc2s1)C(C)C ZINC000744389205 1021527010 /nfs/dbraw/zinc/52/70/10/1021527010.db2.gz OCWLWBXABPEIPB-UHFFFAOYSA-N 1 1 317.458 3.546 20 30 DHEDMO C=CC[N@H+](CC(=O)N(CC)c1nc2ccccc2s1)C(C)C ZINC000744389205 1021527018 /nfs/dbraw/zinc/52/70/18/1021527018.db2.gz OCWLWBXABPEIPB-UHFFFAOYSA-N 1 1 317.458 3.546 20 30 DHEDMO CCSCC[C@@H](C)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000744427195 1021539563 /nfs/dbraw/zinc/53/95/63/1021539563.db2.gz UNGFBWCYMIHEDF-OAHLLOKOSA-N 1 1 306.475 3.791 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000590155854 1021540042 /nfs/dbraw/zinc/54/00/42/1021540042.db2.gz KMZRVUMMJPXYDX-CHWFTXMASA-N 1 1 314.273 3.741 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000590155854 1021540053 /nfs/dbraw/zinc/54/00/53/1021540053.db2.gz KMZRVUMMJPXYDX-CHWFTXMASA-N 1 1 314.273 3.741 20 30 DHEDMO N#CC1(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC001172063302 1032990272 /nfs/dbraw/zinc/99/02/72/1032990272.db2.gz BUZBJTOFLJSWIF-OWZKRDHZSA-N 1 1 323.484 3.998 20 30 DHEDMO C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccccn1 ZINC000181809153 1021619895 /nfs/dbraw/zinc/61/98/95/1021619895.db2.gz XNIQAFHWZGLCLV-ZDUSSCGKSA-N 1 1 320.314 3.683 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](COCC)C2)cc1Cl ZINC000093838649 1021684997 /nfs/dbraw/zinc/68/49/97/1021684997.db2.gz QWIWDQKEBVXNGC-HNNXBMFYSA-N 1 1 309.837 3.763 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CC1(Cl)Cl ZINC000745261311 1021691768 /nfs/dbraw/zinc/69/17/68/1021691768.db2.gz RQPDVEHKCTYVJM-LBPRGKRZSA-N 1 1 315.200 3.777 20 30 DHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CC1(Cl)Cl ZINC000745261311 1021691773 /nfs/dbraw/zinc/69/17/73/1021691773.db2.gz RQPDVEHKCTYVJM-LBPRGKRZSA-N 1 1 315.200 3.777 20 30 DHEDMO CC1(C)C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000763568380 1021742738 /nfs/dbraw/zinc/74/27/38/1021742738.db2.gz XNDMZGQKHNROOO-OALUTQOASA-N 1 1 306.409 3.675 20 30 DHEDMO COCC[N@@H+](CCC#N)CCCc1c(Cl)cccc1Cl ZINC000619508845 1021771580 /nfs/dbraw/zinc/77/15/80/1021771580.db2.gz NWRATYVCNSBDOM-UHFFFAOYSA-N 1 1 315.244 3.788 20 30 DHEDMO COCC[N@H+](CCC#N)CCCc1c(Cl)cccc1Cl ZINC000619508845 1021771595 /nfs/dbraw/zinc/77/15/95/1021771595.db2.gz NWRATYVCNSBDOM-UHFFFAOYSA-N 1 1 315.244 3.788 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)ccn1 ZINC000619511475 1021772254 /nfs/dbraw/zinc/77/22/54/1021772254.db2.gz KAWZPVSHLBDOKH-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)ccn1 ZINC000619511475 1021772277 /nfs/dbraw/zinc/77/22/77/1021772277.db2.gz KAWZPVSHLBDOKH-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000851207227 1021780256 /nfs/dbraw/zinc/78/02/56/1021780256.db2.gz ATHCFRZOXCLVAH-WBVHZDCISA-N 1 1 314.429 3.523 20 30 DHEDMO C[C@H](CC(C)(C)C#N)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000851207227 1021780268 /nfs/dbraw/zinc/78/02/68/1021780268.db2.gz ATHCFRZOXCLVAH-WBVHZDCISA-N 1 1 314.429 3.523 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000538147979 1033003283 /nfs/dbraw/zinc/00/32/83/1033003283.db2.gz SKBYHEKWFBLQHZ-YOEHRIQHSA-N 1 1 319.424 3.766 20 30 DHEDMO COc1cc(C[N@H+]2C[C@H](C(F)(F)F)CC[C@@H]2C)ccc1C#N ZINC000619674714 1021825421 /nfs/dbraw/zinc/82/54/21/1021825421.db2.gz CXLQMKCMUBDBRH-SMDDNHRTSA-N 1 1 312.335 3.730 20 30 DHEDMO NC(=[NH+]OCc1sc2ccccc2c1Cl)C1CCOCC1 ZINC000112086742 1021837674 /nfs/dbraw/zinc/83/76/74/1021837674.db2.gz KISXDCRZPFQLIO-UHFFFAOYSA-N 1 1 324.833 3.770 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+](CCc2ccccc2)C2CC2)cc1 ZINC000746123250 1021859309 /nfs/dbraw/zinc/85/93/09/1021859309.db2.gz KMVQJSITXXRIFA-UHFFFAOYSA-N 1 1 306.409 3.644 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@](CO)(CCC)C2)cc1Cl ZINC000572563595 1021897186 /nfs/dbraw/zinc/89/71/86/1021897186.db2.gz HIJXNNRETAKCED-SFHVURJKSA-N 1 1 323.864 3.889 20 30 DHEDMO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CCCC1 ZINC000185480754 1021935299 /nfs/dbraw/zinc/93/52/99/1021935299.db2.gz RBGYXYASHKCNSI-UHFFFAOYSA-N 1 1 309.413 3.612 20 30 DHEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc(-c2ccc(OC)cc2)n1 ZINC000852098324 1022072836 /nfs/dbraw/zinc/07/28/36/1022072836.db2.gz KBBNDZYUTCJLJB-KRWDZBQOSA-N 1 1 300.427 3.710 20 30 DHEDMO COc1ccc(O)c(/C=N\[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000920175666 1022074506 /nfs/dbraw/zinc/07/45/06/1022074506.db2.gz ZMOIAMGMISPWLF-WORKHZEYSA-N 1 1 324.424 3.655 20 30 DHEDMO C#C[C@](C)(CC)[NH2+][C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000852103726 1022074700 /nfs/dbraw/zinc/07/47/00/1022074700.db2.gz PPCKEUVLLSCSSF-BDJLRTHQSA-N 1 1 303.406 3.797 20 30 DHEDMO CC[C@@H](C)[N@H+](CC)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000852291226 1022099756 /nfs/dbraw/zinc/09/97/56/1022099756.db2.gz RUELMCACWWPIGK-CHWSQXEVSA-N 1 1 315.442 3.593 20 30 DHEDMO CC[C@@H](C)[N@@H+](CC)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000852291226 1022099764 /nfs/dbraw/zinc/09/97/64/1022099764.db2.gz RUELMCACWWPIGK-CHWSQXEVSA-N 1 1 315.442 3.593 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000852321232 1022105425 /nfs/dbraw/zinc/10/54/25/1022105425.db2.gz SDWZEWAMKABYMH-GFCCVEGCSA-N 1 1 310.319 3.557 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000852321232 1022105431 /nfs/dbraw/zinc/10/54/31/1022105431.db2.gz SDWZEWAMKABYMH-GFCCVEGCSA-N 1 1 310.319 3.557 20 30 DHEDMO CCc1ccc(CC[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc1 ZINC000852329016 1022106761 /nfs/dbraw/zinc/10/67/61/1022106761.db2.gz RPRRVIOBPOUKER-NRFANRHFSA-N 1 1 319.452 3.744 20 30 DHEDMO CCc1ccc(CC[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc1 ZINC000852329016 1022106766 /nfs/dbraw/zinc/10/67/66/1022106766.db2.gz RPRRVIOBPOUKER-NRFANRHFSA-N 1 1 319.452 3.744 20 30 DHEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@]1(C)Cc1ccccc1Cl ZINC000852346244 1022109942 /nfs/dbraw/zinc/10/99/42/1022109942.db2.gz BWOPHYFOUGFIAW-WMLDXEAASA-N 1 1 306.837 3.666 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc1C ZINC000852332844 1022110098 /nfs/dbraw/zinc/11/00/98/1022110098.db2.gz WFDBORIVXVHARQ-FQEVSTJZSA-N 1 1 305.425 3.756 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)cc1C ZINC000852332844 1022110101 /nfs/dbraw/zinc/11/01/01/1022110101.db2.gz WFDBORIVXVHARQ-FQEVSTJZSA-N 1 1 305.425 3.756 20 30 DHEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@]1(C)Cc1ccccc1Cl ZINC000852346242 1022110634 /nfs/dbraw/zinc/11/06/34/1022110634.db2.gz BWOPHYFOUGFIAW-PBHICJAKSA-N 1 1 306.837 3.666 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)C(C)(C)C ZINC000852554224 1022139746 /nfs/dbraw/zinc/13/97/46/1022139746.db2.gz HJNUJYXNBCXZCH-UHFFFAOYSA-N 1 1 315.461 3.512 20 30 DHEDMO C#CCC[N@H+](CCOC)Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000852748878 1022171278 /nfs/dbraw/zinc/17/12/78/1022171278.db2.gz JQHXTSWGLNOHNN-CQSZACIVSA-N 1 1 313.363 3.824 20 30 DHEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1CCOc1ccccc1C#N ZINC001169015327 1022217218 /nfs/dbraw/zinc/21/72/18/1022217218.db2.gz WIVICAXCMOHZPM-LJQANCHMSA-N 1 1 306.409 3.774 20 30 DHEDMO C[C@@H]1C[C@H](CNCc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000120229086 1022227253 /nfs/dbraw/zinc/22/72/53/1022227253.db2.gz IOZFCFSOWMIYRN-DYESRHJHSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@@H]1C[C@H](CNCc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000120229086 1022227265 /nfs/dbraw/zinc/22/72/65/1022227265.db2.gz IOZFCFSOWMIYRN-DYESRHJHSA-N 1 1 319.452 3.558 20 30 DHEDMO C=CCOc1ccccc1[C@H](C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108658 1022267769 /nfs/dbraw/zinc/26/77/69/1022267769.db2.gz USJNNBJGAXGHDQ-NXOAAHMSSA-N 1 1 300.446 3.527 20 30 DHEDMO C#Cc1cccnc1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000853421489 1022271576 /nfs/dbraw/zinc/27/15/76/1022271576.db2.gz ZTMXKWMRVGOFMM-LPHOPBHVSA-N 1 1 305.425 3.528 20 30 DHEDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000853526532 1022286876 /nfs/dbraw/zinc/28/68/76/1022286876.db2.gz SMOXBBNPIIRJIN-CYBMUJFWSA-N 1 1 302.418 3.521 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000853598195 1022295648 /nfs/dbraw/zinc/29/56/48/1022295648.db2.gz NZGBXUCZRKKORH-IYBDPMFKSA-N 1 1 324.384 3.599 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@H]2CCC[C@@H](O)C2)cc1 ZINC001169253386 1022325509 /nfs/dbraw/zinc/32/55/09/1022325509.db2.gz XCHQROSBXXRIQD-OTWHNJEPSA-N 1 1 300.446 3.725 20 30 DHEDMO C=CC[N@@H+](CCC(C)C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001169291979 1022344907 /nfs/dbraw/zinc/34/49/07/1022344907.db2.gz GUOPEKLAHSJSGC-SFHVURJKSA-N 1 1 303.446 3.695 20 30 DHEDMO C=CC[N@H+](CCC(C)C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001169291979 1022344923 /nfs/dbraw/zinc/34/49/23/1022344923.db2.gz GUOPEKLAHSJSGC-SFHVURJKSA-N 1 1 303.446 3.695 20 30 DHEDMO N#Cc1cccc(OCC[N@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000609800996 1022353696 /nfs/dbraw/zinc/35/36/96/1022353696.db2.gz ZZCBXLYEZHLTAZ-LJQANCHMSA-N 1 1 324.449 3.727 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000609916555 1022383165 /nfs/dbraw/zinc/38/31/65/1022383165.db2.gz XPDFYGRKSKBWSA-MRXNPFEDSA-N 1 1 312.363 3.901 20 30 DHEDMO CCCOc1c(Cl)cc(C[NH2+]C[C@H](C)C#N)cc1OCC ZINC000183826436 1022429844 /nfs/dbraw/zinc/42/98/44/1022429844.db2.gz OMYQRKXRRRAQQD-GFCCVEGCSA-N 1 1 310.825 3.777 20 30 DHEDMO N#CCC[N@@H+](Cc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172230957 1033050786 /nfs/dbraw/zinc/05/07/86/1033050786.db2.gz JRBKGXUWBSPHEI-ALOPSCKCSA-N 1 1 304.821 3.766 20 30 DHEDMO N#CCC[N@H+](Cc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172230957 1033050795 /nfs/dbraw/zinc/05/07/95/1033050795.db2.gz JRBKGXUWBSPHEI-ALOPSCKCSA-N 1 1 304.821 3.766 20 30 DHEDMO C=CCn1ccc2c1nc[nH+]c2NC[C@H](C)c1ccc(O)cc1 ZINC001169534526 1022439473 /nfs/dbraw/zinc/43/94/73/1022439473.db2.gz ICAQYYHZMUCNRY-ZDUSSCGKSA-N 1 1 308.385 3.539 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(C#N)ccc1OC ZINC000156390849 1022461608 /nfs/dbraw/zinc/46/16/08/1022461608.db2.gz RBEFYLFWFFZJSX-UHFFFAOYSA-N 1 1 317.392 3.627 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(C#N)ccc1OC ZINC000156390849 1022461619 /nfs/dbraw/zinc/46/16/19/1022461619.db2.gz RBEFYLFWFFZJSX-UHFFFAOYSA-N 1 1 317.392 3.627 20 30 DHEDMO Cc1cc(C#N)nc(Nc2ccc([NH+]3CCCCCC3)cc2)n1 ZINC000804330388 1022469837 /nfs/dbraw/zinc/46/98/37/1022469837.db2.gz UOJNEPQGJWVFNH-UHFFFAOYSA-N 1 1 307.401 3.781 20 30 DHEDMO C#C[C@](C)(CC)Nc1nccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001169693615 1022503914 /nfs/dbraw/zinc/50/39/14/1022503914.db2.gz XDPFAHOEDQWFCF-OAQYLSRUSA-N 1 1 319.452 3.854 20 30 DHEDMO CCCC[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1O ZINC001169753640 1022523580 /nfs/dbraw/zinc/52/35/80/1022523580.db2.gz AEQXFJAVSQOQDD-UHFFFAOYSA-N 1 1 324.424 3.945 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001169732643 1022525891 /nfs/dbraw/zinc/52/58/91/1022525891.db2.gz IBHQOGAAFQIADQ-MRXNPFEDSA-N 1 1 310.482 3.970 20 30 DHEDMO C=CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169783095 1022543777 /nfs/dbraw/zinc/54/37/77/1022543777.db2.gz VQPFAYJHGCXDPT-GOSISDBHSA-N 1 1 300.446 3.579 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2cnnn2-c2ccccc2)CCCC1(C)C ZINC001169844218 1022562927 /nfs/dbraw/zinc/56/29/27/1022562927.db2.gz MFSZLHFKCHORGG-SFHVURJKSA-N 1 1 310.445 3.834 20 30 DHEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2cc(F)ccc2F)CCCC1(C)C ZINC001169843719 1022563150 /nfs/dbraw/zinc/56/31/50/1022563150.db2.gz IQPXBMYJBKUKOP-MRXNPFEDSA-N 1 1 322.399 3.970 20 30 DHEDMO C=CC[C@H]1[N@H+](CC(=O)Nc2cc(F)ccc2F)CCCC1(C)C ZINC001169843719 1022563165 /nfs/dbraw/zinc/56/31/65/1022563165.db2.gz IQPXBMYJBKUKOP-MRXNPFEDSA-N 1 1 322.399 3.970 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+](CCC#N)CC2CC2)c1O ZINC000103459276 1022578097 /nfs/dbraw/zinc/57/80/97/1022578097.db2.gz PUQQHNNIWZNPBY-UHFFFAOYSA-N 1 1 314.429 3.645 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@@H+](CCC#N)CC2CC2)c1O ZINC000103459276 1022578104 /nfs/dbraw/zinc/57/81/04/1022578104.db2.gz PUQQHNNIWZNPBY-UHFFFAOYSA-N 1 1 314.429 3.645 20 30 DHEDMO C=CC[N@@H+](CCOC)CCOc1cc(Cl)cc(Cl)c1 ZINC001169898360 1022583125 /nfs/dbraw/zinc/58/31/25/1022583125.db2.gz BIRUJLNUAAFKRU-UHFFFAOYSA-N 1 1 304.217 3.507 20 30 DHEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169948685 1022598849 /nfs/dbraw/zinc/59/88/49/1022598849.db2.gz KAYSMJDLHUHPFE-GOSISDBHSA-N 1 1 301.430 3.750 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 ZINC000053220953 1022605447 /nfs/dbraw/zinc/60/54/47/1022605447.db2.gz NHRKGIHTAQFKEI-HXUWFJFHSA-N 1 1 324.399 3.879 20 30 DHEDMO C=CCCC1(CNC(=O)CCCn2cc[nH+]c2C)CCCC1 ZINC000855298430 1022611667 /nfs/dbraw/zinc/61/16/67/1022611667.db2.gz UZQFLNDQUQXKDZ-UHFFFAOYSA-N 1 1 303.450 3.615 20 30 DHEDMO C#CCCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(OC)c1 ZINC000766904418 1022612063 /nfs/dbraw/zinc/61/20/63/1022612063.db2.gz FUMROEXDABPLOY-NRFANRHFSA-N 1 1 323.436 3.644 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(CC(C)(C)C)CC1 ZINC001172300484 1033070347 /nfs/dbraw/zinc/07/03/47/1033070347.db2.gz WBFUKPSXKHBTGK-MRXNPFEDSA-N 1 1 313.489 3.589 20 30 DHEDMO C=C[C@H](CC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000159131699 1022692748 /nfs/dbraw/zinc/69/27/48/1022692748.db2.gz GJKRMKRGIZPQBN-RCCFBDPRSA-N 1 1 314.473 3.583 20 30 DHEDMO C[C@H]1CC(N=Nc2ccnc(F)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000767387279 1022708864 /nfs/dbraw/zinc/70/88/64/1022708864.db2.gz ZCBVJEKGBPAJLX-AWEZNQCLSA-N 1 1 312.392 3.531 20 30 DHEDMO C[C@@H]([NH2+]Cc1nccn1-c1ccccc1)c1cccc(C#N)c1 ZINC000616475739 1022720182 /nfs/dbraw/zinc/72/01/82/1022720182.db2.gz FGETWCXJGDJUKL-OAHLLOKOSA-N 1 1 302.381 3.595 20 30 DHEDMO N#Cc1cccc(C[NH2+]Cc2ccc(CSC(F)F)o2)c1 ZINC000037748884 1022763020 /nfs/dbraw/zinc/76/30/20/1022763020.db2.gz PEDWSHDHULKWST-UHFFFAOYSA-N 1 1 308.353 3.897 20 30 DHEDMO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172308831 1033078438 /nfs/dbraw/zinc/07/84/38/1033078438.db2.gz NQIGJDUZGJSPRI-HNNXBMFYSA-N 1 1 306.409 3.556 20 30 DHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616772707 1022766540 /nfs/dbraw/zinc/76/65/40/1022766540.db2.gz XJNRYJRXNPIGGZ-GWCFXTLKSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616772707 1022766547 /nfs/dbraw/zinc/76/65/47/1022766547.db2.gz XJNRYJRXNPIGGZ-GWCFXTLKSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616772709 1022766701 /nfs/dbraw/zinc/76/67/01/1022766701.db2.gz XJNRYJRXNPIGGZ-MFKMUULPSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616772709 1022766716 /nfs/dbraw/zinc/76/67/16/1022766716.db2.gz XJNRYJRXNPIGGZ-MFKMUULPSA-N 1 1 300.299 3.860 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@H+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172310058 1033079318 /nfs/dbraw/zinc/07/93/18/1033079318.db2.gz ZVGYMHKSDOQQLJ-APWZRJJASA-N 1 1 320.436 3.987 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](CCC#N)Cc1ccccc1 ZINC001172308205 1033079527 /nfs/dbraw/zinc/07/95/27/1033079527.db2.gz JDUBUXBFXCOLLK-KRWDZBQOSA-N 1 1 303.409 3.905 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCC(=O)c1cccs1 ZINC001172310841 1033079730 /nfs/dbraw/zinc/07/97/30/1033079730.db2.gz KAMFAPHZXZWWFC-CQSZACIVSA-N 1 1 312.438 3.756 20 30 DHEDMO COc1cccc(C[N@@H+](C)[C@H](C)Cc2ccc(C#N)cc2)c1OC ZINC001172311750 1033079907 /nfs/dbraw/zinc/07/99/07/1033079907.db2.gz XKOBNVRWNLEYMX-OAHLLOKOSA-N 1 1 324.424 3.638 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC001172316745 1033080870 /nfs/dbraw/zinc/08/08/70/1033080870.db2.gz WUVNRERVRXWIPM-OXJNMPFZSA-N 1 1 306.409 3.563 20 30 DHEDMO C=C[C@@H](CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000616998460 1022812231 /nfs/dbraw/zinc/81/22/31/1022812231.db2.gz OIDNHDIJCWRPQC-IRXDYDNUSA-N 1 1 314.473 3.583 20 30 DHEDMO COc1cccc2c1CC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C2 ZINC000180784813 1022817774 /nfs/dbraw/zinc/81/77/74/1022817774.db2.gz FTAPRTIWJKBOEJ-OAHLLOKOSA-N 1 1 322.408 3.544 20 30 DHEDMO C=CCC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617008763 1022827277 /nfs/dbraw/zinc/82/72/77/1022827277.db2.gz LOCKHAZSKACMGW-ROUUACIJSA-N 1 1 314.473 3.725 20 30 DHEDMO COc1ccccc1CC[N@@H+](C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172319122 1033084063 /nfs/dbraw/zinc/08/40/63/1033084063.db2.gz LLVHLBSDRBOHJU-INIZCTEOSA-N 1 1 308.425 3.672 20 30 DHEDMO COc1cccc(CC[N@@H+](C)[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172320561 1033084780 /nfs/dbraw/zinc/08/47/80/1033084780.db2.gz VWESHPKYNDFZIV-MRXNPFEDSA-N 1 1 308.425 3.672 20 30 DHEDMO C=C(C)C[N@@H+](CC)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768140385 1022903885 /nfs/dbraw/zinc/90/38/85/1022903885.db2.gz OVNGNTTZKXYCPI-UHFFFAOYSA-N 1 1 310.482 3.922 20 30 DHEDMO C#CCOc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2)cc1 ZINC000768263496 1022935209 /nfs/dbraw/zinc/93/52/09/1022935209.db2.gz SLLZZJDCMFDJKD-UHFFFAOYSA-N 1 1 301.336 3.609 20 30 DHEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000644790896 1022962963 /nfs/dbraw/zinc/96/29/63/1022962963.db2.gz CELXWIFPRHWSKG-SFHVURJKSA-N 1 1 314.473 3.617 20 30 DHEDMO C=C[C@@H]1CCCCN1C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857195962 1022965182 /nfs/dbraw/zinc/96/51/82/1022965182.db2.gz LXCWAFXSPYXBHS-RTBURBONSA-N 1 1 312.457 3.677 20 30 DHEDMO C=CC[C@@H](CC)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857209967 1022967000 /nfs/dbraw/zinc/96/70/00/1022967000.db2.gz RCHZJOFCKICGDL-ZWKOTPCHSA-N 1 1 300.446 3.580 20 30 DHEDMO N#CC1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CCC1 ZINC000418143910 1022973117 /nfs/dbraw/zinc/97/31/17/1022973117.db2.gz RKIACXFGVNJHIC-UHFFFAOYSA-N 1 1 316.298 3.550 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)C ZINC000768547817 1022995074 /nfs/dbraw/zinc/99/50/74/1022995074.db2.gz QKIZMJLWZXEXCI-UHFFFAOYSA-N 1 1 313.195 3.754 20 30 DHEDMO COc1cnc(F)c(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000876582747 1033098183 /nfs/dbraw/zinc/09/81/83/1033098183.db2.gz YHDKMBJHQBZZLV-UHFFFAOYSA-N 1 1 313.376 3.512 20 30 DHEDMO COc1cnc(F)c(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000876582747 1033098192 /nfs/dbraw/zinc/09/81/92/1033098192.db2.gz YHDKMBJHQBZZLV-UHFFFAOYSA-N 1 1 313.376 3.512 20 30 DHEDMO C=CCCC(C)(C)NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857340779 1022991963 /nfs/dbraw/zinc/99/19/63/1022991963.db2.gz CRISYZVZNBUJHF-GOSISDBHSA-N 1 1 314.473 3.970 20 30 DHEDMO C[C@@H](C#N)C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000167750098 1023045200 /nfs/dbraw/zinc/04/52/00/1023045200.db2.gz PIEDSOMVWHBYSZ-QMMMGPOBSA-N 1 1 310.241 3.973 20 30 DHEDMO C#CC[N@@H+](CC)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000769105481 1023085246 /nfs/dbraw/zinc/08/52/46/1023085246.db2.gz LVMFFQPHSRSTFR-UHFFFAOYSA-N 1 1 301.821 3.598 20 30 DHEDMO C#CC[N@H+](CC)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000769105481 1023085254 /nfs/dbraw/zinc/08/52/54/1023085254.db2.gz LVMFFQPHSRSTFR-UHFFFAOYSA-N 1 1 301.821 3.598 20 30 DHEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876617277 1033106178 /nfs/dbraw/zinc/10/61/78/1033106178.db2.gz JBCOKZFKUWKAQG-CVEARBPZSA-N 1 1 323.481 3.505 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)cc1 ZINC000769473274 1023163593 /nfs/dbraw/zinc/16/35/93/1023163593.db2.gz MPWULZHBAPFHQE-SFHVURJKSA-N 1 1 321.420 3.697 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000769493029 1023166123 /nfs/dbraw/zinc/16/61/23/1023166123.db2.gz QTXLXWGNFGSYQS-UHFFFAOYSA-N 1 1 313.441 3.624 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC000769506200 1023167900 /nfs/dbraw/zinc/16/79/00/1023167900.db2.gz OFJFZJNSZGBOPP-NRFANRHFSA-N 1 1 319.452 3.853 20 30 DHEDMO Cc1c(C[N@@H+](C[C@H](C)C#N)C2CC2)sc2nc(C)nc(C)c12 ZINC000769542863 1023176006 /nfs/dbraw/zinc/17/60/06/1023176006.db2.gz CUXRAQGYAYHMKJ-SNVBAGLBSA-N 1 1 314.458 3.741 20 30 DHEDMO Cc1c(C[N@H+](C[C@H](C)C#N)C2CC2)sc2nc(C)nc(C)c12 ZINC000769542863 1023176009 /nfs/dbraw/zinc/17/60/09/1023176009.db2.gz CUXRAQGYAYHMKJ-SNVBAGLBSA-N 1 1 314.458 3.741 20 30 DHEDMO CC[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1cccc(C#N)c1O ZINC000925694812 1023196393 /nfs/dbraw/zinc/19/63/93/1023196393.db2.gz UBQBIJQBSQNFEH-OAHLLOKOSA-N 1 1 301.777 3.553 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@H](C)[C@H](C)C1)CC2 ZINC001172376178 1033112858 /nfs/dbraw/zinc/11/28/58/1033112858.db2.gz ICCFICQNGVNMIH-XFKSJGNHSA-N 1 1 318.505 3.844 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cccc(F)c2C#N)C1 ZINC000337638303 1033113354 /nfs/dbraw/zinc/11/33/54/1033113354.db2.gz VGVRQEJTIFTTIT-ZNMIVQPWSA-N 1 1 301.409 3.539 20 30 DHEDMO C=CC[C@H]1[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1(C)C ZINC000769954495 1023244555 /nfs/dbraw/zinc/24/45/55/1023244555.db2.gz UBHPVNDIQLRLID-IAGOWNOFSA-N 1 1 318.417 3.695 20 30 DHEDMO C=CC[C@H]1[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1(C)C ZINC000769953451 1023244859 /nfs/dbraw/zinc/24/48/59/1023244859.db2.gz NBCIVZJCJCIIET-DLBZAZTESA-N 1 1 318.417 3.695 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000769961778 1023246359 /nfs/dbraw/zinc/24/63/59/1023246359.db2.gz NIBARTZREFGDFL-INIZCTEOSA-N 1 1 322.408 3.761 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000769975374 1023254584 /nfs/dbraw/zinc/25/45/84/1023254584.db2.gz DWXNHANMKIOSLN-SFHVURJKSA-N 1 1 302.421 3.840 20 30 DHEDMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000770018227 1023262934 /nfs/dbraw/zinc/26/29/34/1023262934.db2.gz KLHOEMNUEVUUAZ-QGZVFWFLSA-N 1 1 322.456 3.601 20 30 DHEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001167764841 1023264683 /nfs/dbraw/zinc/26/46/83/1023264683.db2.gz BCRDNDXXQIVILK-IAGOWNOFSA-N 1 1 304.409 3.723 20 30 DHEDMO Cc1ccc(O)c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000770378204 1023300578 /nfs/dbraw/zinc/30/05/78/1023300578.db2.gz ACHZJMXDLLNSRR-UHFFFAOYSA-N 1 1 304.393 3.862 20 30 DHEDMO C=CC[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617000227 1023314421 /nfs/dbraw/zinc/31/44/21/1023314421.db2.gz VWXHGKXSBDTZBU-AEFFLSMTSA-N 1 1 314.473 3.583 20 30 DHEDMO CCC[N@@H+](C[C@@H](C)CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000876690855 1033123309 /nfs/dbraw/zinc/12/33/09/1033123309.db2.gz SUIOYBHRFSALEV-JKSUJKDBSA-N 1 1 323.481 3.648 20 30 DHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000198537462 1023359685 /nfs/dbraw/zinc/35/96/85/1023359685.db2.gz JHUQASVHYVSHEV-IBGZPJMESA-N 1 1 319.408 3.724 20 30 DHEDMO C#CC[NH+]1CCC(c2nc(C(C)(C)C3CCCCC3)no2)CC1 ZINC000771585632 1023451078 /nfs/dbraw/zinc/45/10/78/1023451078.db2.gz DBLCANCQYJZGPW-UHFFFAOYSA-N 1 1 315.461 3.740 20 30 DHEDMO CC(C)C[N@H+](C[C@H](O)c1ccc(F)cc1)C[C@@H](C)CCC#N ZINC000876746137 1033133458 /nfs/dbraw/zinc/13/34/58/1033133458.db2.gz TVBULWABKCECJM-YJBOKZPZSA-N 1 1 306.425 3.757 20 30 DHEDMO C[C@@H](C(=O)OCc1ccc(Cl)cc1C#N)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000772141282 1023518992 /nfs/dbraw/zinc/51/89/92/1023518992.db2.gz GBWPPFYNWGFXBW-XQQFMLRXSA-N 1 1 320.820 3.516 20 30 DHEDMO CCCCCCC[C@@H](CC)[NH2+]CC1CCN(C2COC2)CC1 ZINC001172359415 1033139596 /nfs/dbraw/zinc/13/95/96/1033139596.db2.gz WJWCNDRXWDBWDS-GOSISDBHSA-N 1 1 310.526 3.826 20 30 DHEDMO C[C@H](CCC#N)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000876794130 1033145040 /nfs/dbraw/zinc/14/50/40/1033145040.db2.gz MVJNEDILOJQGOD-SJLPKXTDSA-N 1 1 312.413 3.755 20 30 DHEDMO C=CC[N@H+](Cc1coc(-c2ccc(C)cc2)n1)[C@@H](C)COC ZINC000661246562 1023542003 /nfs/dbraw/zinc/54/20/03/1023542003.db2.gz IKOIWJWSLXRNGE-HNNXBMFYSA-N 1 1 300.402 3.673 20 30 DHEDMO C=CC[N@@H+](Cc1coc(-c2ccc(C)cc2)n1)[C@@H](C)COC ZINC000661246562 1023542007 /nfs/dbraw/zinc/54/20/07/1023542007.db2.gz IKOIWJWSLXRNGE-HNNXBMFYSA-N 1 1 300.402 3.673 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000876808673 1033146437 /nfs/dbraw/zinc/14/64/37/1033146437.db2.gz LTHVQSJMMCQEMG-ZTFGCOKTSA-N 1 1 304.409 3.653 20 30 DHEDMO C#CC[N@@H+](Cc1nn(C)c2ccccc12)[C@H]1CCc2ccccc21 ZINC000772596742 1023577512 /nfs/dbraw/zinc/57/75/12/1023577512.db2.gz ALSRYPOTBLASRU-NRFANRHFSA-N 1 1 315.420 3.696 20 30 DHEDMO C#CC[N@H+](Cc1nn(C)c2ccccc12)[C@H]1CCc2ccccc21 ZINC000772596742 1023577516 /nfs/dbraw/zinc/57/75/16/1023577516.db2.gz ALSRYPOTBLASRU-NRFANRHFSA-N 1 1 315.420 3.696 20 30 DHEDMO CCCCCCC[C@@H](CC)[N@H+]1Cc2ccnn2CC[C@H]1CO ZINC001172362474 1033142606 /nfs/dbraw/zinc/14/26/06/1033142606.db2.gz ZBKKVBHTRKJJIR-AEFFLSMTSA-N 1 1 307.482 3.589 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2OC(F)F)C1 ZINC000661376955 1023580207 /nfs/dbraw/zinc/58/02/07/1023580207.db2.gz HOLPZWUJPSXCAO-CYBMUJFWSA-N 1 1 324.371 3.515 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000661378209 1023583331 /nfs/dbraw/zinc/58/33/31/1023583331.db2.gz AKQCUYIILFSKJM-MRXNPFEDSA-N 1 1 311.429 3.957 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(F)ccc2F)C1 ZINC000661378703 1023583515 /nfs/dbraw/zinc/58/35/15/1023583515.db2.gz KPSNOKPRIIBCSQ-STQMWFEESA-N 1 1 308.372 3.580 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(F)ccc2F)C1 ZINC000661378703 1023583517 /nfs/dbraw/zinc/58/35/17/1023583517.db2.gz KPSNOKPRIIBCSQ-STQMWFEESA-N 1 1 308.372 3.580 20 30 DHEDMO CCCCCCCCC[N@@H+](C)Cn1cc2[nH]cccc-2c1=O ZINC000785500901 1023584177 /nfs/dbraw/zinc/58/41/77/1023584177.db2.gz TWFIDAOWMVYTKZ-UHFFFAOYSA-N 1 1 303.450 3.677 20 30 DHEDMO CCCCCCCCC[N@H+](C)Cn1cc2[nH]cccc-2c1=O ZINC000785500901 1023584175 /nfs/dbraw/zinc/58/41/75/1023584175.db2.gz TWFIDAOWMVYTKZ-UHFFFAOYSA-N 1 1 303.450 3.677 20 30 DHEDMO C=CCCCCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000785756901 1023614647 /nfs/dbraw/zinc/61/46/47/1023614647.db2.gz OVPBAUCIOKCZKN-CVEARBPZSA-N 1 1 310.482 3.968 20 30 DHEDMO C=CCCCCC[N@@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000785797231 1023624906 /nfs/dbraw/zinc/62/49/06/1023624906.db2.gz NSDORYLIFDZRHE-CVEARBPZSA-N 1 1 310.482 3.968 20 30 DHEDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000786127315 1023665085 /nfs/dbraw/zinc/66/50/85/1023665085.db2.gz ZJJOLUXOWLWQGY-MAODMQOUSA-N 1 1 320.436 3.778 20 30 DHEDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000786127312 1023665355 /nfs/dbraw/zinc/66/53/55/1023665355.db2.gz ZJJOLUXOWLWQGY-DQLDELGASA-N 1 1 320.436 3.778 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000066900069 1023706082 /nfs/dbraw/zinc/70/60/82/1023706082.db2.gz WMEUCHBFCSIMAE-GOSISDBHSA-N 1 1 320.392 3.667 20 30 DHEDMO C=CCOc1cccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000538735184 1033155504 /nfs/dbraw/zinc/15/55/04/1033155504.db2.gz GCALVSDDGWUWKK-SFHVURJKSA-N 1 1 302.462 3.558 20 30 DHEDMO C=CC[N@@H+](Cc1nc(-c2ccc(C)c(OC)c2)no1)C(C)(C)C ZINC000661757017 1023732220 /nfs/dbraw/zinc/73/22/20/1023732220.db2.gz BJCZCUXJHVTMQY-UHFFFAOYSA-N 1 1 315.417 3.840 20 30 DHEDMO C=CC[N@H+](Cc1nc(-c2ccc(C)c(OC)c2)no1)C(C)(C)C ZINC000661757017 1023732229 /nfs/dbraw/zinc/73/22/29/1023732229.db2.gz BJCZCUXJHVTMQY-UHFFFAOYSA-N 1 1 315.417 3.840 20 30 DHEDMO CC(C)(C#N)CCCCOC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000786877076 1023733496 /nfs/dbraw/zinc/73/34/96/1023733496.db2.gz COQUQAANOLAKJF-INIZCTEOSA-N 1 1 306.450 3.657 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1nc(-c2ccco2)cs1)C(C)(C)C ZINC000661759983 1023736049 /nfs/dbraw/zinc/73/60/49/1023736049.db2.gz NMKKHCIMKQHXAG-UHFFFAOYSA-N 1 1 319.430 3.628 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1nc(-c2ccco2)cs1)C(C)(C)C ZINC000661759983 1023736055 /nfs/dbraw/zinc/73/60/55/1023736055.db2.gz NMKKHCIMKQHXAG-UHFFFAOYSA-N 1 1 319.430 3.628 20 30 DHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000859542537 1033163919 /nfs/dbraw/zinc/16/39/19/1033163919.db2.gz LLQKGCRVEGADCB-CABCVRRESA-N 1 1 322.861 3.712 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000787311581 1023787270 /nfs/dbraw/zinc/78/72/70/1023787270.db2.gz VZVMWKJOGRPVAS-MRXNPFEDSA-N 1 1 315.413 3.551 20 30 DHEDMO C#CCC1(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CCCCC1 ZINC000788172845 1023860388 /nfs/dbraw/zinc/86/03/88/1023860388.db2.gz QKDYGJVWUCKJJR-UHFFFAOYSA-N 1 1 318.505 3.539 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1SC ZINC000662079074 1023890244 /nfs/dbraw/zinc/89/02/44/1023890244.db2.gz FSJSCKMCHWSKLP-SOUVJXGZSA-N 1 1 316.470 3.919 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662098670 1023902615 /nfs/dbraw/zinc/90/26/15/1023902615.db2.gz HTQXFWIEENIFNR-HUUCEWRRSA-N 1 1 310.235 3.523 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccn(CCc2ccccc2)n1 ZINC000662088667 1023896648 /nfs/dbraw/zinc/89/66/48/1023896648.db2.gz MNHYOKJHPMLQNL-BGYRXZFFSA-N 1 1 307.441 3.809 20 30 DHEDMO CC(C)OCC[C@H](C)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001172434772 1033170405 /nfs/dbraw/zinc/17/04/05/1033170405.db2.gz SUXNZYMUYNXLGW-QMMMGPOBSA-N 1 1 313.257 3.613 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000662098670 1023902609 /nfs/dbraw/zinc/90/26/09/1023902609.db2.gz HTQXFWIEENIFNR-HUUCEWRRSA-N 1 1 310.235 3.523 20 30 DHEDMO C=CCCC[N@@H+]1CCCC[C@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001170085977 1023908160 /nfs/dbraw/zinc/90/81/60/1023908160.db2.gz NUWJNBCMKJYCTE-SJORKVTESA-N 1 1 308.466 3.676 20 30 DHEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000248741115 1023915408 /nfs/dbraw/zinc/91/54/08/1023915408.db2.gz PXKRBKQGYBSHPG-BEFAXECRSA-N 1 1 314.429 3.530 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc2c1OCO2 ZINC000093872227 1023942412 /nfs/dbraw/zinc/94/24/12/1023942412.db2.gz GLEYTPJTUCPELF-MSOLQXFVSA-N 1 1 320.392 3.687 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc2c1OCO2 ZINC000093872227 1023942416 /nfs/dbraw/zinc/94/24/16/1023942416.db2.gz GLEYTPJTUCPELF-MSOLQXFVSA-N 1 1 320.392 3.687 20 30 DHEDMO C=CCC1(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CCCCC1 ZINC000452119854 1023972712 /nfs/dbraw/zinc/97/27/12/1023972712.db2.gz HTEIFLCDNFBNPB-OKZBNKHCSA-N 1 1 318.505 3.702 20 30 DHEDMO Clc1ccc(-c2ncc(C=NNc3cc[nH+]cc3)s2)cc1 ZINC000789036861 1023981023 /nfs/dbraw/zinc/98/10/23/1023981023.db2.gz JUNDMKFMBNPZPC-UHFFFAOYSA-N 1 1 314.801 3.726 20 30 DHEDMO Cc1[nH+]ccn1CCCNc1nc2c(cc1C#N)CCCC2(C)C ZINC000337791423 1033178148 /nfs/dbraw/zinc/17/81/48/1033178148.db2.gz BESRAGJBKVZJNV-UHFFFAOYSA-N 1 1 323.444 3.574 20 30 DHEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC1=CCSC1 ZINC000662268886 1024045447 /nfs/dbraw/zinc/04/54/47/1024045447.db2.gz OWOMFPQJYNSQTN-UHFFFAOYSA-N 1 1 311.372 3.662 20 30 DHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@H](CC)CC(C)C)C2 ZINC001172401270 1033184697 /nfs/dbraw/zinc/18/46/97/1033184697.db2.gz LLADQJRKJWXPJD-GUDVDZBRSA-N 1 1 309.494 3.885 20 30 DHEDMO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1 ZINC000876906890 1033181869 /nfs/dbraw/zinc/18/18/69/1033181869.db2.gz KEFFUXBLLJASPS-GFCCVEGCSA-N 1 1 315.804 3.856 20 30 DHEDMO C[C@H](C#N)C[N@H+](C)Cc1cc(Br)cc2cccnc21 ZINC000268313116 1024099997 /nfs/dbraw/zinc/09/99/97/1024099997.db2.gz KPOVDFAELQRSFW-LLVKDONJSA-N 1 1 318.218 3.589 20 30 DHEDMO C[C@H](C#N)C[N@@H+](C)Cc1cc(Br)cc2cccnc21 ZINC000268313116 1024100041 /nfs/dbraw/zinc/10/00/41/1024100041.db2.gz KPOVDFAELQRSFW-LLVKDONJSA-N 1 1 318.218 3.589 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000268464330 1024116623 /nfs/dbraw/zinc/11/66/23/1024116623.db2.gz LGIRGUXECVFQIN-CRAIPNDOSA-N 1 1 313.445 3.520 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000268584848 1024130056 /nfs/dbraw/zinc/13/00/56/1024130056.db2.gz DILOANXBAFNPOY-MOPGFXCFSA-N 1 1 310.372 3.568 20 30 DHEDMO C[N@@H+](CC(=O)Nc1sccc1C#N)C1CCCCCCC1 ZINC000130192965 1024139270 /nfs/dbraw/zinc/13/92/70/1024139270.db2.gz IFOWWITUEIAPEP-UHFFFAOYSA-N 1 1 305.447 3.603 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268682610 1024140085 /nfs/dbraw/zinc/14/00/85/1024140085.db2.gz OQJFOKNDGBQCLK-FOIQADDNSA-N 1 1 306.409 3.817 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCSC(C)(C)CC2)cc1 ZINC000789762987 1024158856 /nfs/dbraw/zinc/15/88/56/1024158856.db2.gz CTTYXNSQOOZVAX-CQSZACIVSA-N 1 1 304.459 3.695 20 30 DHEDMO N#CCC1(C[N@@H+](CCc2ccccc2)Cc2cccnc2)CC1 ZINC000602824174 1024188682 /nfs/dbraw/zinc/18/86/82/1024188682.db2.gz XQBFWQIDRBXEEF-UHFFFAOYSA-N 1 1 305.425 3.820 20 30 DHEDMO Cc1ccccc1CO[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001204660728 1024201780 /nfs/dbraw/zinc/20/17/80/1024201780.db2.gz KBJWUYORMMFYQR-HXUWFJFHSA-N 1 1 306.409 3.658 20 30 DHEDMO Cc1ccccc1CO[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001204660728 1024201790 /nfs/dbraw/zinc/20/17/90/1024201790.db2.gz KBJWUYORMMFYQR-HXUWFJFHSA-N 1 1 306.409 3.658 20 30 DHEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000268968309 1024206940 /nfs/dbraw/zinc/20/69/40/1024206940.db2.gz KUKQZYZSIGUYLT-ROUUACIJSA-N 1 1 300.446 3.613 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000130774438 1024215323 /nfs/dbraw/zinc/21/53/23/1024215323.db2.gz VTQHRMJZKHBFGI-UHFFFAOYSA-N 1 1 318.424 3.540 20 30 DHEDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000531580120 1024230906 /nfs/dbraw/zinc/23/09/06/1024230906.db2.gz BTOSQDMCHOZWNP-GOSISDBHSA-N 1 1 324.399 3.913 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000269669694 1024301311 /nfs/dbraw/zinc/30/13/11/1024301311.db2.gz ZXRZZDZHWRXAHL-UHFFFAOYSA-N 1 1 303.833 3.584 20 30 DHEDMO C=CCC[C@H](COc1ccccc1)[NH2+][C@H](C)c1csnn1 ZINC000883229155 1024304740 /nfs/dbraw/zinc/30/47/40/1024304740.db2.gz BWXKATKKNFMCGW-ZIAGYGMSSA-N 1 1 303.431 3.603 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC2(CO)CCCC2)cc1 ZINC001167807128 1024329432 /nfs/dbraw/zinc/32/94/32/1024329432.db2.gz VAHWJGPSVGJXML-GOSISDBHSA-N 1 1 300.446 3.727 20 30 DHEDMO N#CCCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453106322 1024332252 /nfs/dbraw/zinc/33/22/52/1024332252.db2.gz IQUXIXKJWDCGKQ-AQNXPRMDSA-N 1 1 311.473 3.713 20 30 DHEDMO C=CC[N@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)C(C)(C)C ZINC000661756366 1024364703 /nfs/dbraw/zinc/36/47/03/1024364703.db2.gz LWROGCJTXNQSGQ-UHFFFAOYSA-N 1 1 317.458 3.672 20 30 DHEDMO C=CC[N@@H+](Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)C(C)(C)C ZINC000661756366 1024364714 /nfs/dbraw/zinc/36/47/14/1024364714.db2.gz LWROGCJTXNQSGQ-UHFFFAOYSA-N 1 1 317.458 3.672 20 30 DHEDMO CC[C@@H](N[C@H](C)c1n[nH]c([C@@H](C)CC)n1)c1ccc(C#N)cc1 ZINC000278895095 1024365258 /nfs/dbraw/zinc/36/52/58/1024365258.db2.gz YWURIWQIOUBYHW-WOSRLPQWSA-N 1 1 311.433 3.992 20 30 DHEDMO CC[C@@H]([NH2+][C@H](C)c1nnc([C@@H](C)CC)[nH]1)c1ccc(C#N)cc1 ZINC000278895095 1024365271 /nfs/dbraw/zinc/36/52/71/1024365271.db2.gz YWURIWQIOUBYHW-WOSRLPQWSA-N 1 1 311.433 3.992 20 30 DHEDMO C[N@H+]1CCC[C@H](CNc2cnccc2C#N)[C@@H]1c1cccs1 ZINC000094166543 1024372554 /nfs/dbraw/zinc/37/25/54/1024372554.db2.gz YTMVIJZDIXOQHV-RHSMWYFYSA-N 1 1 312.442 3.510 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCc3ccc(F)cc32)c1 ZINC000877015280 1033207813 /nfs/dbraw/zinc/20/78/13/1033207813.db2.gz JXIFRQRTNYKJIF-HNNXBMFYSA-N 1 1 301.752 3.523 20 30 DHEDMO COc1cc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)ccc1C#N ZINC000883380783 1024413200 /nfs/dbraw/zinc/41/32/00/1024413200.db2.gz AJAPZVPTQFBDAN-PKOBYXMFSA-N 1 1 310.372 3.682 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)s1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000271192948 1024468332 /nfs/dbraw/zinc/46/83/32/1024468332.db2.gz MOQAOBYIVQWHJG-BZUAXINKSA-N 1 1 304.459 3.645 20 30 DHEDMO C[C@@H](c1ccsc1)[NH+]1CCN(Cc2csc(C#N)c2)CC1 ZINC000893620616 1024470437 /nfs/dbraw/zinc/47/04/37/1024470437.db2.gz KYWLAZRKBRMBAT-ZDUSSCGKSA-N 1 1 317.483 3.560 20 30 DHEDMO CCCCOc1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1OC ZINC000348709932 1024606180 /nfs/dbraw/zinc/60/61/80/1024606180.db2.gz CESLUOWVRIIAFD-UHFFFAOYSA-N 1 1 320.408 3.702 20 30 DHEDMO CO[C@H](C)C[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000348836520 1024627237 /nfs/dbraw/zinc/62/72/37/1024627237.db2.gz CSVUFYYZHRFKIO-MRXNPFEDSA-N 1 1 324.424 3.604 20 30 DHEDMO COCC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@H]1CC[C@H](C)C1 ZINC000792193416 1024645982 /nfs/dbraw/zinc/64/59/82/1024645982.db2.gz VHLBLRSPDRCUNB-JZXOWHBKSA-N 1 1 316.445 3.614 20 30 DHEDMO CCCCCCCCC[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000792244997 1024652325 /nfs/dbraw/zinc/65/23/25/1024652325.db2.gz QYVHIMCCDOHHIN-UHFFFAOYSA-N 1 1 317.477 3.590 20 30 DHEDMO C#CCCC[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000792411522 1024667878 /nfs/dbraw/zinc/66/78/78/1024667878.db2.gz XYNYAKGGEQBCNW-UHFFFAOYSA-N 1 1 300.627 3.948 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001172491918 1033223941 /nfs/dbraw/zinc/22/39/41/1033223941.db2.gz IFPAEDXESHDBDP-OWCLPIDISA-N 1 1 323.481 3.694 20 30 DHEDMO C=CCC[N@H+](CCNC(=O)OC(C)(C)C)CCc1ccccc1 ZINC001170244641 1024709237 /nfs/dbraw/zinc/70/92/37/1024709237.db2.gz ORNNQAPJMITCIV-UHFFFAOYSA-N 1 1 318.461 3.632 20 30 DHEDMO C=CCCC[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000349374276 1024709620 /nfs/dbraw/zinc/70/96/20/1024709620.db2.gz QRIVATJMTZOMSX-INIZCTEOSA-N 1 1 302.466 3.998 20 30 DHEDMO C=CCCC[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000349374276 1024709632 /nfs/dbraw/zinc/70/96/32/1024709632.db2.gz QRIVATJMTZOMSX-INIZCTEOSA-N 1 1 302.466 3.998 20 30 DHEDMO C=CCCC[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000349374276 1024709643 /nfs/dbraw/zinc/70/96/43/1024709643.db2.gz QRIVATJMTZOMSX-INIZCTEOSA-N 1 1 302.466 3.998 20 30 DHEDMO C[C@@H](Cc1ccccc1Cl)[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001170277290 1024734117 /nfs/dbraw/zinc/73/41/17/1024734117.db2.gz RVVBPPXIXSJHMK-XHDPSFHLSA-N 1 1 307.846 3.545 20 30 DHEDMO C[C@@H](Cc1ccccc1Cl)[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001170277290 1024734124 /nfs/dbraw/zinc/73/41/24/1024734124.db2.gz RVVBPPXIXSJHMK-XHDPSFHLSA-N 1 1 307.846 3.545 20 30 DHEDMO COC(=O)c1ccc([C@H]2CCC[N@H+]2[C@H](C)CCCC#N)cc1 ZINC001172506466 1033234100 /nfs/dbraw/zinc/23/41/00/1033234100.db2.gz UKIVIXPFJOKIEB-RHSMWYFYSA-N 1 1 300.402 3.692 20 30 DHEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000349745884 1024746575 /nfs/dbraw/zinc/74/65/75/1024746575.db2.gz DWISODNVEHUUBH-CYBMUJFWSA-N 1 1 308.360 3.538 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC001172501703 1033232773 /nfs/dbraw/zinc/23/27/73/1033232773.db2.gz FFKJMCLAQYPJLN-FUHWJXTLSA-N 1 1 314.429 3.524 20 30 DHEDMO N#CC1(c2ccccc2)CCC([NH+]2CC(N3CCCCC3)C2)CC1 ZINC001170395021 1024761040 /nfs/dbraw/zinc/76/10/40/1024761040.db2.gz GDUZTQHHDWUKKK-UHFFFAOYSA-N 1 1 323.484 3.561 20 30 DHEDMO COc1cccc([C@H]2CSCC[N@H+]2[C@H](C)CCCC#N)c1 ZINC001172509658 1033237187 /nfs/dbraw/zinc/23/71/87/1033237187.db2.gz NJJIPURCQSMHEU-RHSMWYFYSA-N 1 1 304.459 3.867 20 30 DHEDMO CCCCCCC[C@@H](CCC)[N@H+](C)CCN1CCN(C)CC1 ZINC001172511073 1033237521 /nfs/dbraw/zinc/23/75/21/1033237521.db2.gz MIKDRBVGNZAVIW-LJQANCHMSA-N 1 1 311.558 3.695 20 30 DHEDMO CCCCCCC[C@@H](CCC)[N@@H+](C)CCN1CCN(C)CC1 ZINC001172511073 1033237535 /nfs/dbraw/zinc/23/75/35/1033237535.db2.gz MIKDRBVGNZAVIW-LJQANCHMSA-N 1 1 311.558 3.695 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@H]3CCO[C@H]3C2)CC1 ZINC001170384104 1024767943 /nfs/dbraw/zinc/76/79/43/1024767943.db2.gz VFWPGGWQRAADTM-OTBHMBEGSA-N 1 1 310.441 3.501 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC(C)(C)OC[C@@H]2C)c1O ZINC000792725008 1024782680 /nfs/dbraw/zinc/78/26/80/1024782680.db2.gz DBWBNLDUKPPLGF-AWEZNQCLSA-N 1 1 319.445 3.519 20 30 DHEDMO CCCCCCC[C@H](CCC)[N@H+]1Cc2ccnn2CC[C@H]1CO ZINC001172510376 1033238482 /nfs/dbraw/zinc/23/84/82/1033238482.db2.gz AVGUFADKGSXUSQ-HKUYNNGSSA-N 1 1 321.509 3.979 20 30 DHEDMO CC(C)[N@H+](CCC#N)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792794422 1024792250 /nfs/dbraw/zinc/79/22/50/1024792250.db2.gz KXTACWRIFOZYOT-UHFFFAOYSA-N 1 1 313.367 3.895 20 30 DHEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792794422 1024792262 /nfs/dbraw/zinc/79/22/62/1024792262.db2.gz KXTACWRIFOZYOT-UHFFFAOYSA-N 1 1 313.367 3.895 20 30 DHEDMO Cc1cc(Cl)ccc1C1=CC[N@@H+](CCO[C@H](C)C#N)CC1 ZINC000859799581 1033234287 /nfs/dbraw/zinc/23/42/87/1033234287.db2.gz VPOLTOMOIGFSTM-CQSZACIVSA-N 1 1 304.821 3.666 20 30 DHEDMO C=CC[N@H+](Cc1cn(-c2ccc(Cl)cc2)nc1C)C1CC1 ZINC000350325907 1024806319 /nfs/dbraw/zinc/80/63/19/1024806319.db2.gz YPBORBVEHJEMER-UHFFFAOYSA-N 1 1 301.821 3.985 20 30 DHEDMO CCCCCCC[C@@H](C)C(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC001274928714 1024881772 /nfs/dbraw/zinc/88/17/72/1024881772.db2.gz PCEHPFXGOFSDSK-QGZVFWFLSA-N 1 1 308.510 3.927 20 30 DHEDMO C=CCN1c2ccccc2[C@@]2(CC[N@H+](C[C@H](C)CCC)C2)C1=O ZINC001275079517 1024903545 /nfs/dbraw/zinc/90/35/45/1024903545.db2.gz VECJXSALXTYCTL-UZLBHIALSA-N 1 1 312.457 3.599 20 30 DHEDMO CCCC[C@H](CC)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001275081025 1024905015 /nfs/dbraw/zinc/90/50/15/1024905015.db2.gz DQNOYFKNRCNVDL-RCCFBDPRSA-N 1 1 319.493 3.572 20 30 DHEDMO CCCC[C@@H](CC)C[N@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001275081015 1024907428 /nfs/dbraw/zinc/90/74/28/1024907428.db2.gz DPODHWHIRNMXPN-MJGOQNOKSA-N 1 1 319.493 3.573 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@@]12CCN(C1CCCC1)C2=O ZINC001275111439 1024916971 /nfs/dbraw/zinc/91/69/71/1024916971.db2.gz MGRQPSJRZXSRQI-IBGZPJMESA-N 1 1 306.494 3.966 20 30 DHEDMO C[C@H]1CC(N=Nc2cccc(Cl)n2)C[N@H+]1Cc1ccccc1 ZINC000793181201 1024927917 /nfs/dbraw/zinc/92/79/17/1024927917.db2.gz LBADKNAUJZJJNJ-ZDUSSCGKSA-N 1 1 314.820 3.797 20 30 DHEDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cnn1C(C)(C)C ZINC000191272359 1024948343 /nfs/dbraw/zinc/94/83/43/1024948343.db2.gz QYTHENBQBNXKNS-GFCCVEGCSA-N 1 1 314.408 3.808 20 30 DHEDMO COc1ncc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)cc1Cl ZINC000793540815 1025083246 /nfs/dbraw/zinc/08/32/46/1025083246.db2.gz OMPSUPVCGDMRFV-SNVBAGLBSA-N 1 1 319.767 3.605 20 30 DHEDMO COc1ccccc1C(C)(C)[NH2+]Cc1ccc(C#N)cc1OC ZINC000121381511 1025088634 /nfs/dbraw/zinc/08/86/34/1025088634.db2.gz IIJDOUCKQPMGAO-UHFFFAOYSA-N 1 1 310.397 3.600 20 30 DHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)CCC(C)C)c1C ZINC000052246357 1025125133 /nfs/dbraw/zinc/12/51/33/1025125133.db2.gz XDFRZTSMUVUFPW-UHFFFAOYSA-N 1 1 315.461 3.528 20 30 DHEDMO CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000052209069 1025126600 /nfs/dbraw/zinc/12/66/00/1025126600.db2.gz OHMQVRWIKTUKEB-UHFFFAOYSA-N 1 1 317.452 3.641 20 30 DHEDMO CCCC[N@H+](C)CC1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000052209069 1025126608 /nfs/dbraw/zinc/12/66/08/1025126608.db2.gz OHMQVRWIKTUKEB-UHFFFAOYSA-N 1 1 317.452 3.641 20 30 DHEDMO CCCC[N@@H+](C)CC1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000052209069 1025126617 /nfs/dbraw/zinc/12/66/17/1025126617.db2.gz OHMQVRWIKTUKEB-UHFFFAOYSA-N 1 1 317.452 3.641 20 30 DHEDMO COc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2F)ccc1C#N ZINC000353653441 1025178583 /nfs/dbraw/zinc/17/85/83/1025178583.db2.gz CBIDCOARZBDSAR-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1F ZINC000859927491 1033270825 /nfs/dbraw/zinc/27/08/25/1033270825.db2.gz IRIKPBVXHZUKDQ-GBESFXJTSA-N 1 1 306.384 3.933 20 30 DHEDMO CCC[N@@H+](CCCCC#N)CC(=O)Nc1ccc(Cl)cc1 ZINC000112349943 1025243766 /nfs/dbraw/zinc/24/37/66/1025243766.db2.gz SAAMMZZCAOMLBW-UHFFFAOYSA-N 1 1 307.825 3.684 20 30 DHEDMO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1C#N ZINC000385479667 1025264524 /nfs/dbraw/zinc/26/45/24/1025264524.db2.gz FOCMZCDJXQCNSJ-OAHLLOKOSA-N 1 1 307.235 3.941 20 30 DHEDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1C#N ZINC000385479667 1025264538 /nfs/dbraw/zinc/26/45/38/1025264538.db2.gz FOCMZCDJXQCNSJ-OAHLLOKOSA-N 1 1 307.235 3.941 20 30 DHEDMO COC(=O)c1occc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000353910930 1025288463 /nfs/dbraw/zinc/28/84/63/1025288463.db2.gz AYYMNXVOOMWXRZ-INIZCTEOSA-N 1 1 312.369 3.591 20 30 DHEDMO C[N@H+](Cc1ccc(OCc2cccnc2)cc1)CC(C)(C)C#N ZINC000354019299 1025323006 /nfs/dbraw/zinc/32/30/06/1025323006.db2.gz WUYKPDMCDLCSLP-UHFFFAOYSA-N 1 1 309.413 3.642 20 30 DHEDMO C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)CC(C)(C)C#N ZINC000354019299 1025323019 /nfs/dbraw/zinc/32/30/19/1025323019.db2.gz WUYKPDMCDLCSLP-UHFFFAOYSA-N 1 1 309.413 3.642 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000053221270 1025342258 /nfs/dbraw/zinc/34/22/58/1025342258.db2.gz BXRMJLBNLNOBCW-FQEVSTJZSA-N 1 1 306.409 3.739 20 30 DHEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1sccc1Cl ZINC001275316584 1025403469 /nfs/dbraw/zinc/40/34/69/1025403469.db2.gz YQBQNTRAKBNWTM-MRXNPFEDSA-N 1 1 324.877 3.545 20 30 DHEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1sccc1Cl ZINC001275316584 1025403477 /nfs/dbraw/zinc/40/34/77/1025403477.db2.gz YQBQNTRAKBNWTM-MRXNPFEDSA-N 1 1 324.877 3.545 20 30 DHEDMO O=C1C=C2C[N@@H+]([C@@H]3CCC[C@@H](c4ccccc4)C3)CCC2S1 ZINC001172541678 1033276573 /nfs/dbraw/zinc/27/65/73/1033276573.db2.gz RCJFSZNJVUGKQR-KBAYOESNSA-N 1 1 313.466 3.987 20 30 DHEDMO C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885956798 1025419691 /nfs/dbraw/zinc/41/96/91/1025419691.db2.gz YSJPIAUOBMVBDG-APWZRJJASA-N 1 1 312.457 3.732 20 30 DHEDMO Cc1ccc(C[N@H+](C[C@H](O)CC2(C#N)CCC2)C(C)C)s1 ZINC000885965967 1025422405 /nfs/dbraw/zinc/42/24/05/1025422405.db2.gz ZNJTUHVFEXPLMW-OAHLLOKOSA-N 1 1 306.475 3.712 20 30 DHEDMO C=CCCCCC[N@H+]1CC[C@]2(CCN(C3CCCC3)C2=O)C1 ZINC001275325370 1025426671 /nfs/dbraw/zinc/42/66/71/1025426671.db2.gz MZJXLOHGWYFOEF-IBGZPJMESA-N 1 1 304.478 3.600 20 30 DHEDMO C=CCCCCC[N@@H+]1CCC[C@@]12CCN(CC=C(C)C)C2=O ZINC001275325355 1025427153 /nfs/dbraw/zinc/42/71/53/1025427153.db2.gz MVCFKORKUXJBJF-IBGZPJMESA-N 1 1 304.478 3.766 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)C[C@H]2CC=CCC2)cc(OC)c1O ZINC000558327479 1025492651 /nfs/dbraw/zinc/49/26/51/1025492651.db2.gz FLHQCHVDJDDJJV-HNNXBMFYSA-N 1 1 301.430 3.917 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCCO[C@@H](C(C)C)C2)cc1OC ZINC000354788497 1025503909 /nfs/dbraw/zinc/50/39/09/1025503909.db2.gz HAMXAZPXPGZHPU-LJQANCHMSA-N 1 1 319.445 3.507 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)CCC1 ZINC000886120741 1025516157 /nfs/dbraw/zinc/51/61/57/1025516157.db2.gz MQOHGZIWKVTIRK-AMQGLKLZSA-N 1 1 310.441 3.609 20 30 DHEDMO CC1(C)C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)[C@H]1c1cccs1 ZINC000886207488 1025557706 /nfs/dbraw/zinc/55/77/06/1025557706.db2.gz DSSHBVFLBKPRRF-ZFWWWQNUSA-N 1 1 304.459 3.576 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)CCC1 ZINC000886236905 1025568007 /nfs/dbraw/zinc/56/80/07/1025568007.db2.gz RFERQQUUKMKURM-PBHICJAKSA-N 1 1 320.383 3.547 20 30 DHEDMO CC1(C)[C@H](c2ccccc2)CC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886252029 1025570420 /nfs/dbraw/zinc/57/04/20/1025570420.db2.gz RNYABPUXSOSNJM-MSOLQXFVSA-N 1 1 312.457 3.699 20 30 DHEDMO C#CC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000886355439 1025603328 /nfs/dbraw/zinc/60/33/28/1025603328.db2.gz IQZNACRBLLOARO-SJORKVTESA-N 1 1 312.457 3.791 20 30 DHEDMO CSc1ccccc1C[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000355213832 1025639577 /nfs/dbraw/zinc/63/95/77/1025639577.db2.gz MHOPNNHIPFEHEF-UHFFFAOYSA-N 1 1 322.437 3.560 20 30 DHEDMO CSc1ccccc1C[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000355213832 1025639586 /nfs/dbraw/zinc/63/95/86/1025639586.db2.gz MHOPNNHIPFEHEF-UHFFFAOYSA-N 1 1 322.437 3.560 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000355263346 1025658909 /nfs/dbraw/zinc/65/89/09/1025658909.db2.gz HCKJVKACLRPFTP-SFHVURJKSA-N 1 1 322.452 3.722 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000355263346 1025658917 /nfs/dbraw/zinc/65/89/17/1025658917.db2.gz HCKJVKACLRPFTP-SFHVURJKSA-N 1 1 322.452 3.722 20 30 DHEDMO N#CCCCC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000068831041 1025662392 /nfs/dbraw/zinc/66/23/92/1025662392.db2.gz KUOYSQDHONAXOX-UHFFFAOYSA-N 1 1 315.244 3.872 20 30 DHEDMO Cn1cc(C[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)cc1C#N ZINC000355416210 1025716064 /nfs/dbraw/zinc/71/60/64/1025716064.db2.gz QUNSMHWHDKYZJX-UHFFFAOYSA-N 1 1 311.816 3.839 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CN[C@H](C)c1cncc(F)c1)C(C)C ZINC000152071260 1025717268 /nfs/dbraw/zinc/71/72/68/1025717268.db2.gz ZODXIIJCBCUHRY-QAPCUYQASA-N 1 1 305.441 3.570 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000573741902 1025748586 /nfs/dbraw/zinc/74/85/86/1025748586.db2.gz VAMDBPFEFUVCFT-MOPGFXCFSA-N 1 1 321.424 3.631 20 30 DHEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1cccc(C#N)c1 ZINC000614160053 1025778162 /nfs/dbraw/zinc/77/81/62/1025778162.db2.gz RLIKKJFYIWAHLV-UHFFFAOYSA-N 1 1 303.409 3.991 20 30 DHEDMO CCCC[N@@H+](CC)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000355601957 1025782017 /nfs/dbraw/zinc/78/20/17/1025782017.db2.gz WVQLWNHPWNPRPM-UHFFFAOYSA-N 1 1 321.852 3.709 20 30 DHEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(Cl)c1F ZINC000806131961 1025793960 /nfs/dbraw/zinc/79/39/60/1025793960.db2.gz PPBMEEWXMDRHFU-MRXNPFEDSA-N 1 1 318.779 3.828 20 30 DHEDMO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)n1 ZINC000886692295 1025799082 /nfs/dbraw/zinc/79/90/82/1025799082.db2.gz VTBVNTHXRAFSLE-KRWDZBQOSA-N 1 1 311.454 3.778 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1n1ccnc1 ZINC000614176139 1025809889 /nfs/dbraw/zinc/80/98/89/1025809889.db2.gz JJSHNLAPXSWCFH-QFBILLFUSA-N 1 1 322.456 3.767 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000614183152 1025821330 /nfs/dbraw/zinc/82/13/30/1025821330.db2.gz ZUXVNDZLFSZCTJ-LJQANCHMSA-N 1 1 312.457 3.879 20 30 DHEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1O ZINC000614182896 1025823073 /nfs/dbraw/zinc/82/30/73/1025823073.db2.gz LZWNCCCLGYBHIX-MSOLQXFVSA-N 1 1 314.473 3.717 20 30 DHEDMO C[C@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075837378 1025853414 /nfs/dbraw/zinc/85/34/14/1025853414.db2.gz PTBZCISXSDHCHE-XKQJLSEDSA-N 1 1 322.412 3.761 20 30 DHEDMO Cc1ccc2c(C[N@H+](CCC#N)CC3CC3)cc(=O)oc2c1C ZINC000081043273 1025974455 /nfs/dbraw/zinc/97/44/55/1025974455.db2.gz DYNMLMOOYJYIDG-UHFFFAOYSA-N 1 1 310.397 3.536 20 30 DHEDMO Cc1ccc2c(C[N@@H+](CCC#N)CC3CC3)cc(=O)oc2c1C ZINC000081043273 1025974467 /nfs/dbraw/zinc/97/44/67/1025974467.db2.gz DYNMLMOOYJYIDG-UHFFFAOYSA-N 1 1 310.397 3.536 20 30 DHEDMO N#Cc1csc(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000356205630 1025983534 /nfs/dbraw/zinc/98/35/34/1025983534.db2.gz ACPWEVUTXNTSNU-GFCCVEGCSA-N 1 1 303.818 3.658 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000356205630 1025983543 /nfs/dbraw/zinc/98/35/43/1025983543.db2.gz ACPWEVUTXNTSNU-GFCCVEGCSA-N 1 1 303.818 3.658 20 30 DHEDMO Cn1ccnc1C[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411417932 1026000278 /nfs/dbraw/zinc/00/02/78/1026000278.db2.gz FPDKTBMWIYKORT-QGZVFWFLSA-N 1 1 314.477 3.539 20 30 DHEDMO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCCO1 ZINC000356292915 1026011627 /nfs/dbraw/zinc/01/16/27/1026011627.db2.gz DXBODIHNZYKXGI-CQSZACIVSA-N 1 1 312.335 3.578 20 30 DHEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCCO1 ZINC000356292915 1026011646 /nfs/dbraw/zinc/01/16/46/1026011646.db2.gz DXBODIHNZYKXGI-CQSZACIVSA-N 1 1 312.335 3.578 20 30 DHEDMO C[C@H](c1ccc(C#N)c(F)c1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000453353571 1026025084 /nfs/dbraw/zinc/02/50/84/1026025084.db2.gz JPMBGSNBQZWUSS-CXAGYDPISA-N 1 1 304.434 3.977 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000245504761 1026052594 /nfs/dbraw/zinc/05/25/94/1026052594.db2.gz KWVMUEWWDRVWFV-BEFAXECRSA-N 1 1 309.413 3.653 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000245552310 1026072290 /nfs/dbraw/zinc/07/22/90/1026072290.db2.gz CTCSBWPCGPHFJN-VQIMIIECSA-N 1 1 321.424 3.664 20 30 DHEDMO C=C(C)C[N@H+](CCOCC1CCC1)Cc1cnn(C(C)C)c1 ZINC000419284041 1026090699 /nfs/dbraw/zinc/09/06/99/1026090699.db2.gz SMNFLLAVZLRBAO-UHFFFAOYSA-N 1 1 305.466 3.659 20 30 DHEDMO N#CCSCCC[N@@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419306605 1026121974 /nfs/dbraw/zinc/12/19/74/1026121974.db2.gz YHQSMLOAYAWMCA-HNNXBMFYSA-N 1 1 310.413 3.619 20 30 DHEDMO C=CCCC1(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000356718099 1026143532 /nfs/dbraw/zinc/14/35/32/1026143532.db2.gz XPKKFDRZUSKWBM-CVEARBPZSA-N 1 1 304.478 3.502 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@@H+]2CC[C@H]2CC=C(C)C2(C)C)C1=O ZINC001275504007 1026171802 /nfs/dbraw/zinc/17/18/02/1026171802.db2.gz JJRPCXVXELLSHK-YLJYHZDGSA-N 1 1 316.489 3.622 20 30 DHEDMO COCC[N@@H+](CCc1ccccc1)Cc1ccc(C#N)cc1C ZINC000614396690 1026291946 /nfs/dbraw/zinc/29/19/46/1026291946.db2.gz HASWQNBTRGOHON-UHFFFAOYSA-N 1 1 308.425 3.558 20 30 DHEDMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)c1 ZINC000120625424 1026341767 /nfs/dbraw/zinc/34/17/67/1026341767.db2.gz WRGNSLASYQUBJO-QGZVFWFLSA-N 1 1 312.369 3.506 20 30 DHEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc(C#N)o2)c1 ZINC000120625424 1026341784 /nfs/dbraw/zinc/34/17/84/1026341784.db2.gz WRGNSLASYQUBJO-QGZVFWFLSA-N 1 1 312.369 3.506 20 30 DHEDMO C#CC[N@H+](CCCCCn1cc(C)cn1)[C@@H]1CCc2ccccc21 ZINC000729267352 1026404640 /nfs/dbraw/zinc/40/46/40/1026404640.db2.gz RRRXPSBCQNWKBO-OAQYLSRUSA-N 1 1 321.468 3.985 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000513270684 1026468833 /nfs/dbraw/zinc/46/88/33/1026468833.db2.gz GLLLZJWTJRFKKV-DNVCBOLYSA-N 1 1 319.408 3.580 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)cc1 ZINC000809560303 1026549616 /nfs/dbraw/zinc/54/96/16/1026549616.db2.gz UEBCMBJWCKAHGN-LEWJYISDSA-N 1 1 305.421 3.756 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000809593722 1026569851 /nfs/dbraw/zinc/56/98/51/1026569851.db2.gz QLWAEEPTIDUTSG-SFTDATJTSA-N 1 1 323.411 3.895 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000809642534 1026580266 /nfs/dbraw/zinc/58/02/66/1026580266.db2.gz HADMXNGFXYISMB-NRFANRHFSA-N 1 1 303.405 3.689 20 30 DHEDMO C#C[C@H]([NH2+]Cc1cc(C)ccc1O)c1ccc(Cl)cc1F ZINC000809698988 1026586996 /nfs/dbraw/zinc/58/69/96/1026586996.db2.gz JGXXJDJDEGMLCX-INIZCTEOSA-N 1 1 303.764 3.957 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)cc1 ZINC000809700473 1026587637 /nfs/dbraw/zinc/58/76/37/1026587637.db2.gz HEKPXEMULZQPBG-MJGOQNOKSA-N 1 1 315.457 3.604 20 30 DHEDMO C#C[C@@H](C)[NH2+]Cc1c(Cl)n(-c2ccccc2)nc1C(C)C ZINC000809683509 1026590618 /nfs/dbraw/zinc/59/06/18/1026590618.db2.gz FPCQHCXFRGAXNB-CYBMUJFWSA-N 1 1 301.821 3.760 20 30 DHEDMO C#C[C@@H](C)[NH2+]Cc1c(C)nn(-c2cc(C)ccc2C)c1Cl ZINC000809683840 1026593124 /nfs/dbraw/zinc/59/31/24/1026593124.db2.gz RJELLVWMGAUCNP-CYBMUJFWSA-N 1 1 301.821 3.562 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000809763084 1026620174 /nfs/dbraw/zinc/62/01/74/1026620174.db2.gz JANDAGBAZYEPIF-UHFFFAOYSA-N 1 1 320.440 3.596 20 30 DHEDMO CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc(F)cc1O ZINC000810250119 1026729258 /nfs/dbraw/zinc/72/92/58/1026729258.db2.gz FSHRNFXPQLVGKC-INIZCTEOSA-N 1 1 314.360 3.652 20 30 DHEDMO C=CCc1ccccc1OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810525844 1026776270 /nfs/dbraw/zinc/77/62/70/1026776270.db2.gz XDUHEJIXCDRYJO-SFHVURJKSA-N 1 1 305.393 3.533 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1cnc(CC)nc1)c1ccc(F)c(F)c1 ZINC000414439204 1026779774 /nfs/dbraw/zinc/77/97/74/1026779774.db2.gz WOCLBGVXFOOQLE-QGZVFWFLSA-N 1 1 303.356 3.724 20 30 DHEDMO CCCC[N@@H+](CC)Cc1cccc(CNc2cncc(C#N)n2)c1 ZINC000420594291 1026843127 /nfs/dbraw/zinc/84/31/27/1026843127.db2.gz DBOKOQXQHIRGRM-UHFFFAOYSA-N 1 1 323.444 3.582 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420949201 1026886597 /nfs/dbraw/zinc/88/65/97/1026886597.db2.gz ONCTZYKUDVKJOL-CYBMUJFWSA-N 1 1 312.335 3.731 20 30 DHEDMO N#CC1(CCC[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)CCOCC1 ZINC000420953078 1026889713 /nfs/dbraw/zinc/88/97/13/1026889713.db2.gz SMSGOSLIODEWQE-AWEZNQCLSA-N 1 1 318.383 3.751 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000414484156 1026901949 /nfs/dbraw/zinc/90/19/49/1026901949.db2.gz JEEABPUJGWAEQI-ICSRJNTNSA-N 1 1 309.409 3.559 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000414488628 1026913505 /nfs/dbraw/zinc/91/35/05/1026913505.db2.gz RJBMTSTZMQQPIG-UYAOXDASSA-N 1 1 309.409 3.559 20 30 DHEDMO CC[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@H](CC)O1 ZINC000421385488 1026976451 /nfs/dbraw/zinc/97/64/51/1026976451.db2.gz GNQQDVXEKFLBGZ-HDICACEKSA-N 1 1 316.445 3.759 20 30 DHEDMO N#Cc1csc(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000811463079 1027006114 /nfs/dbraw/zinc/00/61/14/1027006114.db2.gz JNYJUBMAKHZFQH-UHFFFAOYSA-N 1 1 313.426 3.665 20 30 DHEDMO C#CCOc1ccccc1C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000811481311 1027018435 /nfs/dbraw/zinc/01/84/35/1027018435.db2.gz WYUOWGGAJUQUMT-UHFFFAOYSA-N 1 1 321.207 3.690 20 30 DHEDMO C#C[C@H]([NH2+]Cc1cccc(-n2cccn2)c1)c1ccc(Cl)cc1 ZINC000811516158 1027029409 /nfs/dbraw/zinc/02/94/09/1027029409.db2.gz FYVXXCCOUMIKRB-IBGZPJMESA-N 1 1 321.811 3.990 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1cnc2c(C)cccn12)c1ccc(Cl)cc1 ZINC000811516280 1027029683 /nfs/dbraw/zinc/02/96/83/1027029683.db2.gz INOSAHHIXVQOOP-QGZVFWFLSA-N 1 1 309.800 3.760 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCS[C@H](C)[C@@H]2C)cc1OC ZINC000353854340 1027045085 /nfs/dbraw/zinc/04/50/85/1027045085.db2.gz JGFPTXXBWQEIDH-UONOGXRCSA-N 1 1 307.459 3.586 20 30 DHEDMO CCC[N@H+]1CCc2c(N)sc(NC3=CC[C@@H](C#N)CC3)c2C1 ZINC001212859462 1027142893 /nfs/dbraw/zinc/14/28/93/1027142893.db2.gz JVGVPMSWCLVLSS-GFCCVEGCSA-N 1 1 316.474 3.718 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000561960535 1027147011 /nfs/dbraw/zinc/14/70/11/1027147011.db2.gz ASXGGRGUXLNMOW-ZBFHGGJFSA-N 1 1 320.502 3.944 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000561960535 1027147015 /nfs/dbraw/zinc/14/70/15/1027147015.db2.gz ASXGGRGUXLNMOW-ZBFHGGJFSA-N 1 1 320.502 3.944 20 30 DHEDMO N#CC1CCC(C[N@@H+]2Cc3ccccc3N3CCC[C@@H]3C2)CC1 ZINC000931705137 1027225169 /nfs/dbraw/zinc/22/51/69/1027225169.db2.gz CCJSVVVUDCRPDS-FAFZWHIHSA-N 1 1 309.457 3.801 20 30 DHEDMO C=CCCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000812493252 1027300346 /nfs/dbraw/zinc/30/03/46/1027300346.db2.gz CCDLJYKKQUFSPK-IAGOWNOFSA-N 1 1 309.498 3.637 20 30 DHEDMO C=CCCCCCCCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000812494674 1027302266 /nfs/dbraw/zinc/30/22/66/1027302266.db2.gz PFQIZFLTQYWBNA-ROUUACIJSA-N 1 1 321.509 3.639 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931914671 1027302971 /nfs/dbraw/zinc/30/29/71/1027302971.db2.gz VYZUABFWIXJWKF-AWEZNQCLSA-N 1 1 312.310 3.733 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cnn2ccccc12 ZINC000362651986 1027331945 /nfs/dbraw/zinc/33/19/45/1027331945.db2.gz QWJNTAJYDGPYPR-UYAOXDASSA-N 1 1 316.408 3.606 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cnn2ccccc12 ZINC000362651986 1027331950 /nfs/dbraw/zinc/33/19/50/1027331950.db2.gz QWJNTAJYDGPYPR-UYAOXDASSA-N 1 1 316.408 3.606 20 30 DHEDMO Cc1nc2ccccc2n1CCCCC[N@H+]1CCC[C@@H](C#N)C1 ZINC000932154965 1027389112 /nfs/dbraw/zinc/38/91/12/1027389112.db2.gz UCTIPJYUUKSQTR-KRWDZBQOSA-N 1 1 310.445 3.751 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000574946538 1027443149 /nfs/dbraw/zinc/44/31/49/1027443149.db2.gz LNKFFGKJXFNRRR-VAMGGRTRSA-N 1 1 311.473 3.571 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812851985 1027450090 /nfs/dbraw/zinc/45/00/90/1027450090.db2.gz CGZONBDQGWPVGQ-LIRRHRJNSA-N 1 1 312.388 3.641 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@H]([NH3+])c1ccccc1 ZINC000423247884 1027475230 /nfs/dbraw/zinc/47/52/30/1027475230.db2.gz LYDJDVZXGWARDX-PMACEKPBSA-N 1 1 305.425 3.615 20 30 DHEDMO Cc1ccc([C@H]2CC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)cc1 ZINC000562681935 1027565410 /nfs/dbraw/zinc/56/54/10/1027565410.db2.gz HWISKYOXKXCXLM-KRWDZBQOSA-N 1 1 321.380 3.764 20 30 DHEDMO CCc1ccccc1[C@@H](N)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000423496412 1027574710 /nfs/dbraw/zinc/57/47/10/1027574710.db2.gz DQUNGNDKLFPDTI-YJYMSZOUSA-N 1 1 311.404 3.610 20 30 DHEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000932802036 1027611964 /nfs/dbraw/zinc/61/19/64/1027611964.db2.gz QBLFEWLFWNLADA-RCCFBDPRSA-N 1 1 306.494 3.702 20 30 DHEDMO N#Cc1csc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)n1 ZINC000576511466 1027627227 /nfs/dbraw/zinc/62/72/27/1027627227.db2.gz ODVQVAJYJZRUGK-ZACQAIPSSA-N 1 1 309.438 3.783 20 30 DHEDMO N#CC1(CCC[N@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)CCOCC1 ZINC000932888684 1027642334 /nfs/dbraw/zinc/64/23/34/1027642334.db2.gz KEGCQQJBWBOSCM-QZTJIDSGSA-N 1 1 302.462 3.597 20 30 DHEDMO C[C@@]1(Cc2cccs2)CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000932924252 1027653377 /nfs/dbraw/zinc/65/33/77/1027653377.db2.gz YAKAPMOOGLEWMX-WBVHZDCISA-N 1 1 318.486 3.590 20 30 DHEDMO C#CCN1CC[C@]2(CCC[N@@H+]2C/C=C/CCCCCCC)C1=O ZINC001275840117 1027670169 /nfs/dbraw/zinc/67/01/69/1027670169.db2.gz DHQSAULUGFDLGN-CTDFXDFQSA-N 1 1 316.489 3.603 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@H]1CCC(C)=C[C@@H]1C ZINC001275851102 1027729882 /nfs/dbraw/zinc/72/98/82/1027729882.db2.gz FFNLVVKCRDMJAC-NSHGMRRFSA-N 1 1 316.489 3.622 20 30 DHEDMO C=CCCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000448385618 1027775706 /nfs/dbraw/zinc/77/57/06/1027775706.db2.gz HBJDUFDEGVBXHL-QGZVFWFLSA-N 1 1 321.509 3.639 20 30 DHEDMO CSc1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933628485 1027782282 /nfs/dbraw/zinc/78/22/82/1027782282.db2.gz KIABOLWXHZJIOX-GOSISDBHSA-N 1 1 324.449 3.854 20 30 DHEDMO CSc1ccccc1C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933628485 1027782285 /nfs/dbraw/zinc/78/22/85/1027782285.db2.gz KIABOLWXHZJIOX-GOSISDBHSA-N 1 1 324.449 3.854 20 30 DHEDMO C=CCN1CC[C@]2(CC[N@H+](CC[C@@H](C)CC(C)(C)C)C2)C1=O ZINC001275880563 1027802703 /nfs/dbraw/zinc/80/27/03/1027802703.db2.gz PHMNNMLIUMIVBY-APWZRJJASA-N 1 1 306.494 3.559 20 30 DHEDMO CC[C@H](c1ccc(-c2ccc(C#N)s2)cc1)[NH+]1CCNCC1 ZINC000600773810 1027823692 /nfs/dbraw/zinc/82/36/92/1027823692.db2.gz DLSJTVWCDLRQAO-QGZVFWFLSA-N 1 1 311.454 3.643 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](Cc1ccoc1)C1CC1)c1ccccc1 ZINC000934002712 1027880920 /nfs/dbraw/zinc/88/09/20/1027880920.db2.gz AZLYBNQTWUUNPO-HXUWFJFHSA-N 1 1 322.408 3.685 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+](Cc1ccoc1)C1CC1)c1ccccc1 ZINC000934002712 1027880934 /nfs/dbraw/zinc/88/09/34/1027880934.db2.gz AZLYBNQTWUUNPO-HXUWFJFHSA-N 1 1 322.408 3.685 20 30 DHEDMO COc1cccc(C[N@H+](CCC#N)C2CCCCCCC2)n1 ZINC001137531947 1027889220 /nfs/dbraw/zinc/88/92/20/1027889220.db2.gz CMSMZDQXHRQPSL-UHFFFAOYSA-N 1 1 301.434 3.919 20 30 DHEDMO COc1cccc(C[N@@H+](CCC#N)C2CCCCCCC2)n1 ZINC001137531947 1027889240 /nfs/dbraw/zinc/88/92/40/1027889240.db2.gz CMSMZDQXHRQPSL-UHFFFAOYSA-N 1 1 301.434 3.919 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000365598213 1027978579 /nfs/dbraw/zinc/97/85/79/1027978579.db2.gz KQAATSIBIZYPBE-WMZOPIPTSA-N 1 1 303.494 3.655 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000365598213 1027978588 /nfs/dbraw/zinc/97/85/88/1027978588.db2.gz KQAATSIBIZYPBE-WMZOPIPTSA-N 1 1 303.494 3.655 20 30 DHEDMO CC(C)(C#N)CCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000365598213 1027978598 /nfs/dbraw/zinc/97/85/98/1027978598.db2.gz KQAATSIBIZYPBE-WMZOPIPTSA-N 1 1 303.494 3.655 20 30 DHEDMO CC(C)(C#N)CCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000365598213 1027978615 /nfs/dbraw/zinc/97/86/15/1027978615.db2.gz KQAATSIBIZYPBE-WMZOPIPTSA-N 1 1 303.494 3.655 20 30 DHEDMO C=CC[C@H]1CC[N@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000934473266 1028014870 /nfs/dbraw/zinc/01/48/70/1028014870.db2.gz VJLGZRNUONRCIZ-ZDUSSCGKSA-N 1 1 323.318 3.906 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000934473266 1028014883 /nfs/dbraw/zinc/01/48/83/1028014883.db2.gz VJLGZRNUONRCIZ-ZDUSSCGKSA-N 1 1 323.318 3.906 20 30 DHEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1C1CC1 ZINC001276004535 1028027177 /nfs/dbraw/zinc/02/71/77/1028027177.db2.gz APPDMYFKASRZQL-WOJBJXKFSA-N 1 1 324.468 3.705 20 30 DHEDMO C[C@H]([NH2+]Cc1cccn1C)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000366280308 1028074779 /nfs/dbraw/zinc/07/47/79/1028074779.db2.gz AHIQXGYRSBNUTQ-ZDUSSCGKSA-N 1 1 322.437 3.871 20 30 DHEDMO C#CCCCCCC[N@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000934796168 1028111751 /nfs/dbraw/zinc/11/17/51/1028111751.db2.gz YXGQUXLVIHGAIX-GASCZTMLSA-N 1 1 304.400 3.527 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366989617 1028120829 /nfs/dbraw/zinc/12/08/29/1028120829.db2.gz KXHORSNEEOEHPW-FXAWDEMLSA-N 1 1 314.473 3.617 20 30 DHEDMO C=C(C)c1cccc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000934873166 1028133211 /nfs/dbraw/zinc/13/32/11/1028133211.db2.gz HLOZCLVMKMKINS-MRXNPFEDSA-N 1 1 313.401 3.737 20 30 DHEDMO CC(C)(C)[N@H+]1CCCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000578453001 1028155377 /nfs/dbraw/zinc/15/53/77/1028155377.db2.gz AYSNUMHPSFBWKA-UHFFFAOYSA-N 1 1 307.388 3.806 20 30 DHEDMO C=CCCC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001134555746 1028159643 /nfs/dbraw/zinc/15/96/43/1028159643.db2.gz CPPGOZZRISWVPP-RTBURBONSA-N 1 1 314.473 3.727 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1ccc(F)c(F)c1 ZINC000367527233 1028198283 /nfs/dbraw/zinc/19/82/83/1028198283.db2.gz MYACQJKPIDTCLK-NVXWUHKLSA-N 1 1 303.356 3.972 20 30 DHEDMO CC(=[NH+]NCc1cccc2cccnc21)c1ccc(Cl)c(N)c1 ZINC000814804106 1028232181 /nfs/dbraw/zinc/23/21/81/1028232181.db2.gz ZSZLNZCNABCGEQ-UHFFFAOYSA-N 1 1 324.815 3.984 20 30 DHEDMO C[C@H]1CCC[C@H](C[N@@H+](C)CCOCc2ccc(C#N)cc2)C1 ZINC001170769364 1028248491 /nfs/dbraw/zinc/24/84/91/1028248491.db2.gz PTLQTHAWDNBFHW-LPHOPBHVSA-N 1 1 300.446 3.833 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815117116 1028361888 /nfs/dbraw/zinc/36/18/88/1028361888.db2.gz KRGHUJFYAMFINA-GOSISDBHSA-N 1 1 305.377 3.602 20 30 DHEDMO C=C(Br)C[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000815143271 1028399231 /nfs/dbraw/zinc/39/92/31/1028399231.db2.gz MOJQZQAUMYRAQU-LLVKDONJSA-N 1 1 324.197 3.571 20 30 DHEDMO C[C@H]1[N@@H+](Cc2ccccc2C(C)(C)C#N)CCC12CCOCC2 ZINC000368813519 1028410934 /nfs/dbraw/zinc/41/09/34/1028410934.db2.gz HNCNHHNCRSMDST-MRXNPFEDSA-N 1 1 312.457 3.879 20 30 DHEDMO C=CC[C@@H](C(=O)OCC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000778419366 1028427289 /nfs/dbraw/zinc/42/72/89/1028427289.db2.gz RVUKFTVREFOCSL-QZTJIDSGSA-N 1 1 301.430 3.764 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)ccc1C#N ZINC000369114217 1028448295 /nfs/dbraw/zinc/44/82/95/1028448295.db2.gz ABXGOJKFXSMQBK-GOSISDBHSA-N 1 1 307.397 3.607 20 30 DHEDMO Cc1ncccc1O[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000369321214 1028472796 /nfs/dbraw/zinc/47/27/96/1028472796.db2.gz GKPXCIRHUPRMIN-INIZCTEOSA-N 1 1 301.434 3.563 20 30 DHEDMO N#C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CCCCC1 ZINC000815444475 1028501994 /nfs/dbraw/zinc/50/19/94/1028501994.db2.gz COBFECYCOSXXFE-QZTJIDSGSA-N 1 1 318.461 3.799 20 30 DHEDMO CC1(C#N)CCC([NH2+]C[C@H]2CCCN2C2CCCCC2)CC1 ZINC000449303101 1028523969 /nfs/dbraw/zinc/52/39/69/1028523969.db2.gz WZMCJKFYNKGPER-CUYAVPTFSA-N 1 1 303.494 3.846 20 30 DHEDMO CC(C)c1nccn1[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000369997974 1028551375 /nfs/dbraw/zinc/55/13/75/1028551375.db2.gz QDYWSKOIJMISTD-INIZCTEOSA-N 1 1 302.466 3.973 20 30 DHEDMO Cc1ccccc1CN1CCC[N@@H+](CCCC(C)(C)C#N)CC1 ZINC000369993251 1028551926 /nfs/dbraw/zinc/55/19/26/1028551926.db2.gz CNBLFBJKVZCWMC-UHFFFAOYSA-N 1 1 313.489 3.833 20 30 DHEDMO Cc1ccccc1C[N@@H+]1CCCN(CCCC(C)(C)C#N)CC1 ZINC000369993251 1028551937 /nfs/dbraw/zinc/55/19/37/1028551937.db2.gz CNBLFBJKVZCWMC-UHFFFAOYSA-N 1 1 313.489 3.833 20 30 DHEDMO Cc1ccccc1C[N@H+]1CCCN(CCCC(C)(C)C#N)CC1 ZINC000369993251 1028551953 /nfs/dbraw/zinc/55/19/53/1028551953.db2.gz CNBLFBJKVZCWMC-UHFFFAOYSA-N 1 1 313.489 3.833 20 30 DHEDMO C=CCCCC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000370067527 1028561834 /nfs/dbraw/zinc/56/18/34/1028561834.db2.gz ZKEDGZOXXLUEIT-QAPCUYQASA-N 1 1 320.864 3.805 20 30 DHEDMO C[C@H]([NH2+]Cc1c(F)cc(F)cc1F)c1ccc(OCC#N)cc1 ZINC000815649732 1028594983 /nfs/dbraw/zinc/59/49/83/1028594983.db2.gz XKHIQSZHWDIVAJ-NSHDSACASA-N 1 1 320.314 3.857 20 30 DHEDMO C#CC[N@@H+](C)CCCN[C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000815652888 1028595801 /nfs/dbraw/zinc/59/58/01/1028595801.db2.gz YYJIJKSLPVQHKB-ZDUSSCGKSA-N 1 1 304.821 3.692 20 30 DHEDMO C#CC[N@H+](C)CCCN[C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000815652888 1028595808 /nfs/dbraw/zinc/59/58/08/1028595808.db2.gz YYJIJKSLPVQHKB-ZDUSSCGKSA-N 1 1 304.821 3.692 20 30 DHEDMO N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@H](F)C2)c1 ZINC000449384640 1028604051 /nfs/dbraw/zinc/60/40/51/1028604051.db2.gz CESAGIIAVCDNMT-SFHVURJKSA-N 1 1 310.372 3.681 20 30 DHEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000449384640 1028604062 /nfs/dbraw/zinc/60/40/62/1028604062.db2.gz CESAGIIAVCDNMT-SFHVURJKSA-N 1 1 310.372 3.681 20 30 DHEDMO CCC[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C(C)C ZINC000565664996 1028616919 /nfs/dbraw/zinc/61/69/19/1028616919.db2.gz IQFQVYDTMOLOLC-UHFFFAOYSA-N 1 1 321.852 3.707 20 30 DHEDMO N#CCCC1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000565655509 1028618335 /nfs/dbraw/zinc/61/83/35/1028618335.db2.gz UAWUGOUNNCSODV-UHFFFAOYSA-N 1 1 301.415 3.919 20 30 DHEDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000370733875 1028642923 /nfs/dbraw/zinc/64/29/23/1028642923.db2.gz ROEMRHXIHGPMBX-KRWDZBQOSA-N 1 1 322.456 3.601 20 30 DHEDMO Cc1ccc(CO[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1 ZINC001204688229 1028644084 /nfs/dbraw/zinc/64/40/84/1028644084.db2.gz VQAWNHQUNVVMKW-HXUWFJFHSA-N 1 1 306.409 3.658 20 30 DHEDMO N#CCC[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)CC1CC1 ZINC000119094263 1028655060 /nfs/dbraw/zinc/65/50/60/1028655060.db2.gz KRLLTZJPTBJBGX-UHFFFAOYSA-N 1 1 314.820 3.856 20 30 DHEDMO N#CCC[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)CC1CC1 ZINC000119094263 1028655063 /nfs/dbraw/zinc/65/50/63/1028655063.db2.gz KRLLTZJPTBJBGX-UHFFFAOYSA-N 1 1 314.820 3.856 20 30 DHEDMO COC[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000565943835 1028657179 /nfs/dbraw/zinc/65/71/79/1028657179.db2.gz XRXWYHJEVPHOLQ-SFHVURJKSA-N 1 1 317.791 3.808 20 30 DHEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CCc2ccc(C#N)cc21 ZINC000565978514 1028663407 /nfs/dbraw/zinc/66/34/07/1028663407.db2.gz RJGWWSVIMMAHHA-QOIOWGMHSA-N 1 1 311.473 3.502 20 30 DHEDMO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000565978514 1028663413 /nfs/dbraw/zinc/66/34/13/1028663413.db2.gz RJGWWSVIMMAHHA-QOIOWGMHSA-N 1 1 311.473 3.502 20 30 DHEDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)no1 ZINC000371391691 1028700412 /nfs/dbraw/zinc/70/04/12/1028700412.db2.gz DBOCXSJPHKWMBL-KBXCAEBGSA-N 1 1 311.385 3.611 20 30 DHEDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)no1 ZINC000371391691 1028700421 /nfs/dbraw/zinc/70/04/21/1028700421.db2.gz DBOCXSJPHKWMBL-KBXCAEBGSA-N 1 1 311.385 3.611 20 30 DHEDMO C=CCC[C@@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)c1ccccc1 ZINC000566332805 1028704565 /nfs/dbraw/zinc/70/45/65/1028704565.db2.gz SNIGDUMNZDQGNH-IEBWSBKVSA-N 1 1 323.440 3.578 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)ccc1OC ZINC000449495844 1028707451 /nfs/dbraw/zinc/70/74/51/1028707451.db2.gz IJNRHFVSILSJBS-RDJZCZTQSA-N 1 1 319.445 3.507 20 30 DHEDMO COc1ccc(C[NH+]2CC(c3cccc(Cl)c3)C2)cc1C#N ZINC000449557727 1028799305 /nfs/dbraw/zinc/79/93/05/1028799305.db2.gz SMKSZSPSUIPXSY-UHFFFAOYSA-N 1 1 312.800 3.820 20 30 DHEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)[C@H](CO)CC(C)(C)C ZINC000449585073 1028830620 /nfs/dbraw/zinc/83/06/20/1028830620.db2.gz KRUMHZVODUXMMR-KRWDZBQOSA-N 1 1 318.461 3.598 20 30 DHEDMO Cc1oc(-c2cccs2)nc1CO[NH+]=C(N)C1CCCC1 ZINC000077375907 1028843973 /nfs/dbraw/zinc/84/39/73/1028843973.db2.gz OYDUJKPGOGJGOK-UHFFFAOYSA-N 1 1 305.403 3.691 20 30 DHEDMO C[C@H]1C[C@H](c2ccsc2)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000372405883 1028849960 /nfs/dbraw/zinc/84/99/60/1028849960.db2.gz ZRLBPAXUSPXXOH-BBRMVZONSA-N 1 1 322.437 3.645 20 30 DHEDMO CCc1noc(C)c1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372420172 1028853017 /nfs/dbraw/zinc/85/30/17/1028853017.db2.gz JEHWEMWIGWMEFB-UHFFFAOYSA-N 1 1 307.397 3.706 20 30 DHEDMO N#Cc1ccc(C2=CC[N@H+](Cc3cccnc3Cl)CC2)cc1 ZINC000372416995 1028854806 /nfs/dbraw/zinc/85/48/06/1028854806.db2.gz SVLLXQYZSNHREY-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cccnc3Cl)CC2)cc1 ZINC000372416995 1028854827 /nfs/dbraw/zinc/85/48/27/1028854827.db2.gz SVLLXQYZSNHREY-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO Cc1ncsc1CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372421786 1028855908 /nfs/dbraw/zinc/85/59/08/1028855908.db2.gz XKYWYLSJACBMGG-UHFFFAOYSA-N 1 1 309.438 3.655 20 30 DHEDMO C=CCC1(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCCC1 ZINC000449651427 1028879322 /nfs/dbraw/zinc/87/93/22/1028879322.db2.gz NTYOYRPYDWCNSU-QGZVFWFLSA-N 1 1 306.494 3.894 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000449684092 1028908116 /nfs/dbraw/zinc/90/81/16/1028908116.db2.gz QNFZIXLYACHSKC-MRXNPFEDSA-N 1 1 324.346 3.580 20 30 DHEDMO N#Cc1c(F)ccc(C[NH+]2CCC(OCC3CC3)CC2)c1Cl ZINC000372980408 1028930798 /nfs/dbraw/zinc/93/07/98/1028930798.db2.gz MQAOFKKYGQMHEX-UHFFFAOYSA-N 1 1 322.811 3.742 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(CC#N)c1 ZINC000449703657 1028935846 /nfs/dbraw/zinc/93/58/46/1028935846.db2.gz UOBQIQNDXZFHCF-UZLBHIALSA-N 1 1 305.425 3.685 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000567718805 1028942958 /nfs/dbraw/zinc/94/29/58/1028942958.db2.gz UHGAZVYGKFUMHT-HNNXBMFYSA-N 1 1 318.829 3.926 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)cc1 ZINC000816622154 1028969015 /nfs/dbraw/zinc/96/90/15/1028969015.db2.gz YFLMWTRWJMFCCD-HNAYVOBHSA-N 1 1 321.424 3.956 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC(C)(C)[C@H]2c2ccncc2)cc1 ZINC000816622154 1028969021 /nfs/dbraw/zinc/96/90/21/1028969021.db2.gz YFLMWTRWJMFCCD-HNAYVOBHSA-N 1 1 321.424 3.956 20 30 DHEDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1Cl ZINC000567970944 1028985738 /nfs/dbraw/zinc/98/57/38/1028985738.db2.gz PAUFAVWMPSCHSO-KGLIPLIRSA-N 1 1 307.869 3.983 20 30 DHEDMO C=CCC[C@@H](NCC1([NH+](C)C)Cc2ccccc2C1)c1ccco1 ZINC000568023760 1028992492 /nfs/dbraw/zinc/99/24/92/1028992492.db2.gz VNHDKEKRYOIHIX-LJQANCHMSA-N 1 1 324.468 3.976 20 30 DHEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000373411360 1029036339 /nfs/dbraw/zinc/03/63/39/1029036339.db2.gz DWMZHYYUTRVVIC-OXQOHEQNSA-N 1 1 321.424 3.805 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000411140078 1029043675 /nfs/dbraw/zinc/04/36/75/1029043675.db2.gz SIFUSIRCGVFIHL-LBPRGKRZSA-N 1 1 305.399 3.877 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000411140078 1029043689 /nfs/dbraw/zinc/04/36/89/1029043689.db2.gz SIFUSIRCGVFIHL-LBPRGKRZSA-N 1 1 305.399 3.877 20 30 DHEDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(F)c(C#N)c2Cl)CC1 ZINC000373465294 1029054533 /nfs/dbraw/zinc/05/45/33/1029054533.db2.gz KIUQZYSCASEUPS-MRXNPFEDSA-N 1 1 310.800 3.742 20 30 DHEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741125 1029059999 /nfs/dbraw/zinc/05/99/99/1029059999.db2.gz ISAYJRQRIJRGDN-INIZCTEOSA-N 1 1 319.408 3.892 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000568529337 1029087480 /nfs/dbraw/zinc/08/74/80/1029087480.db2.gz HUKNIXWQEOCYBL-HNNXBMFYSA-N 1 1 300.446 3.819 20 30 DHEDMO CC[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)[C@H](CC)CN1C(C)=O ZINC000411306099 1029094797 /nfs/dbraw/zinc/09/47/97/1029094797.db2.gz LCALYAKKHGTKCA-QZTJIDSGSA-N 1 1 319.493 3.572 20 30 DHEDMO CC[C@@H](c1ccc(F)cc1F)N1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411314875 1029097979 /nfs/dbraw/zinc/09/79/79/1029097979.db2.gz SAVMRKIQAISTRG-KSSFIOAISA-N 1 1 321.415 3.726 20 30 DHEDMO C=CCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CCCC1 ZINC000450008894 1029140382 /nfs/dbraw/zinc/14/03/82/1029140382.db2.gz IXWYOCLJGTVVLS-SJORKVTESA-N 1 1 304.478 3.597 20 30 DHEDMO C=CCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CCCCC1 ZINC000450009905 1029141604 /nfs/dbraw/zinc/14/16/04/1029141604.db2.gz NXAJQMRNHZXFHU-MSOLQXFVSA-N 1 1 318.505 3.987 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCC1=O ZINC000411559006 1029159473 /nfs/dbraw/zinc/15/94/73/1029159473.db2.gz MWFQHPYTCHMWGB-HNNXBMFYSA-N 1 1 304.393 3.636 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCC1=O ZINC000411559006 1029159476 /nfs/dbraw/zinc/15/94/76/1029159476.db2.gz MWFQHPYTCHMWGB-HNNXBMFYSA-N 1 1 304.393 3.636 20 30 DHEDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411560068 1029159505 /nfs/dbraw/zinc/15/95/05/1029159505.db2.gz XXASLFHNNBPCTD-KRWDZBQOSA-N 1 1 320.477 3.904 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cc(C)sc2C)C1=O ZINC001276172505 1029173383 /nfs/dbraw/zinc/17/33/83/1029173383.db2.gz RRGJUKYDTXGLKW-SFHVURJKSA-N 1 1 318.486 3.508 20 30 DHEDMO CC1(C)C[N@@H+](CCC2(C#N)CCCCC2)C[C@]2(CCCOC2)O1 ZINC000411662465 1029180560 /nfs/dbraw/zinc/18/05/60/1029180560.db2.gz NYHFLVDNLXYWTA-IBGZPJMESA-N 1 1 320.477 3.511 20 30 DHEDMO N#CC1(CC[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)CCCCC1 ZINC000411743310 1029198079 /nfs/dbraw/zinc/19/80/79/1029198079.db2.gz IIVXRYBIULLLAU-HNNXBMFYSA-N 1 1 306.841 3.647 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCc2ccccc2F)nc1 ZINC000569256554 1029204315 /nfs/dbraw/zinc/20/43/15/1029204315.db2.gz PEKNYSNUDUNIBO-INIZCTEOSA-N 1 1 313.376 3.582 20 30 DHEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(CCC2(C#N)CCCCC2)C[C@@H](C)C1 ZINC000411762622 1029204405 /nfs/dbraw/zinc/20/44/05/1029204405.db2.gz XKBGNKAUNMYBKX-KZNAEPCWSA-N 1 1 303.494 3.513 20 30 DHEDMO C[C@@H]1C[C@H]1N1CC[N@H+](CCC2(C#N)CCCCC2)C[C@@H](C)C1 ZINC000411762622 1029204419 /nfs/dbraw/zinc/20/44/19/1029204419.db2.gz XKBGNKAUNMYBKX-KZNAEPCWSA-N 1 1 303.494 3.513 20 30 DHEDMO C[C@@H]1C[C@H]1N1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@@H](C)C1 ZINC000411762622 1029204433 /nfs/dbraw/zinc/20/44/33/1029204433.db2.gz XKBGNKAUNMYBKX-KZNAEPCWSA-N 1 1 303.494 3.513 20 30 DHEDMO N#C[C@@H]1C[N@@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000411760218 1029204794 /nfs/dbraw/zinc/20/47/94/1029204794.db2.gz RLSXXJZWQNCHRH-BTHPGYMESA-N 1 1 306.384 3.921 20 30 DHEDMO N#C[C@@H]1C[N@H+]([C@@H]2C[C@H]2c2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000411760218 1029204812 /nfs/dbraw/zinc/20/48/12/1029204812.db2.gz RLSXXJZWQNCHRH-BTHPGYMESA-N 1 1 306.384 3.921 20 30 DHEDMO C[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001136026237 1029264071 /nfs/dbraw/zinc/26/40/71/1029264071.db2.gz PBXRGXLJVQXPMM-FQEVSTJZSA-N 1 1 318.420 3.509 20 30 DHEDMO C[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001136026237 1029264081 /nfs/dbraw/zinc/26/40/81/1029264081.db2.gz PBXRGXLJVQXPMM-FQEVSTJZSA-N 1 1 318.420 3.509 20 30 DHEDMO Cn1cc([C@@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)c2ccccc21 ZINC000374267546 1029265108 /nfs/dbraw/zinc/26/51/08/1029265108.db2.gz AEBCTPQAZLOIDT-CQSZACIVSA-N 1 1 305.381 3.632 20 30 DHEDMO COc1ccc2c(c1)[C@@H](C)C[N@H+](CC(C)(C)CCC#N)CC2 ZINC000374275094 1029270512 /nfs/dbraw/zinc/27/05/12/1029270512.db2.gz SGGITLUVNPLRFC-HNNXBMFYSA-N 1 1 300.446 3.987 20 30 DHEDMO COc1ccc([C@H]2CCC[N@@H+]2CC2(C#N)CCC2)c(OC)c1 ZINC000450219066 1029273352 /nfs/dbraw/zinc/27/33/52/1029273352.db2.gz BMRJRBKPKMXUMC-MRXNPFEDSA-N 1 1 300.402 3.535 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2CC2(C#N)CCC2)c(OC)c1 ZINC000450219066 1029273366 /nfs/dbraw/zinc/27/33/66/1029273366.db2.gz BMRJRBKPKMXUMC-MRXNPFEDSA-N 1 1 300.402 3.535 20 30 DHEDMO C#CC[N@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C1CCCC1 ZINC000155742072 1029290551 /nfs/dbraw/zinc/29/05/51/1029290551.db2.gz QTVPFLWFJFDESJ-UHFFFAOYSA-N 1 1 324.468 3.691 20 30 DHEDMO CC[N@H+](CCC#N)CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000137577050 1029292434 /nfs/dbraw/zinc/29/24/34/1029292434.db2.gz GROWEFVXNLAEQP-UHFFFAOYSA-N 1 1 301.434 3.566 20 30 DHEDMO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC(C)(C)C1 ZINC000412045493 1029301870 /nfs/dbraw/zinc/30/18/70/1029301870.db2.gz ZHKKAMDOPZEURY-UHFFFAOYSA-N 1 1 310.401 3.619 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000817970756 1029310804 /nfs/dbraw/zinc/31/08/04/1029310804.db2.gz DLPJZUNYKWNPLC-OFQRWUPVSA-N 1 1 308.853 3.609 20 30 DHEDMO CC(C)[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)cn1 ZINC000779411687 1029366876 /nfs/dbraw/zinc/36/68/76/1029366876.db2.gz GQJNGMAITJKYSX-KRWDZBQOSA-N 1 1 301.340 3.718 20 30 DHEDMO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(SC(F)F)cc2)nn1 ZINC000818347448 1029380785 /nfs/dbraw/zinc/38/07/85/1029380785.db2.gz ROAHZPQOEVQPTJ-NSHDSACASA-N 1 1 324.400 3.630 20 30 DHEDMO N#CCCC[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000374627336 1029409411 /nfs/dbraw/zinc/40/94/11/1029409411.db2.gz ONTSEENYYBZROB-CQSZACIVSA-N 1 1 300.299 3.880 20 30 DHEDMO N#CCCC[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000374627336 1029409418 /nfs/dbraw/zinc/40/94/18/1029409418.db2.gz ONTSEENYYBZROB-CQSZACIVSA-N 1 1 300.299 3.880 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cn2ccc(Br)cc2n1 ZINC000570767003 1029416047 /nfs/dbraw/zinc/41/60/47/1029416047.db2.gz FRVJCQASEZUNHN-CQSZACIVSA-N 1 1 320.234 3.637 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cn2ccc(Br)cc2n1 ZINC000570767003 1029416054 /nfs/dbraw/zinc/41/60/54/1029416054.db2.gz FRVJCQASEZUNHN-CQSZACIVSA-N 1 1 320.234 3.637 20 30 DHEDMO O[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)Cc2ccccc21 ZINC000374936406 1029505236 /nfs/dbraw/zinc/50/52/36/1029505236.db2.gz NCXZXVMLRYDERR-LJQANCHMSA-N 1 1 311.812 3.631 20 30 DHEDMO N#CC1(CN2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000450499186 1029528575 /nfs/dbraw/zinc/52/85/75/1029528575.db2.gz IGXXNLSQLRIHND-PMACEKPBSA-N 1 1 323.484 3.667 20 30 DHEDMO C=CCCC[N@@H+](C)CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000121159830 1029533757 /nfs/dbraw/zinc/53/37/57/1029533757.db2.gz ZCIBGJYDAKCMAS-UHFFFAOYSA-N 1 1 316.367 3.748 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)c1cc(C)n(CC(F)(F)F)c1C ZINC000121159830 1029533759 /nfs/dbraw/zinc/53/37/59/1029533759.db2.gz ZCIBGJYDAKCMAS-UHFFFAOYSA-N 1 1 316.367 3.748 20 30 DHEDMO C[C@H]1CN(CCC(C)(C)C#N)C(C)(C)C[N@H+]1CCC(C)(C)C#N ZINC000451085832 1029788793 /nfs/dbraw/zinc/78/87/93/1029788793.db2.gz RQIQONFQQVPSTD-INIZCTEOSA-N 1 1 318.509 3.651 20 30 DHEDMO C[C@H]1C[N@H+](CCC(C)(C)C#N)C(C)(C)CN1CCC(C)(C)C#N ZINC000451085832 1029788796 /nfs/dbraw/zinc/78/87/96/1029788796.db2.gz RQIQONFQQVPSTD-INIZCTEOSA-N 1 1 318.509 3.651 20 30 DHEDMO C[C@H]1C[N@@H+](CCC(C)(C)C#N)C(C)(C)CN1CCC(C)(C)C#N ZINC000451085832 1029788800 /nfs/dbraw/zinc/78/88/00/1029788800.db2.gz RQIQONFQQVPSTD-INIZCTEOSA-N 1 1 318.509 3.651 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1C#N ZINC000530280639 1029801241 /nfs/dbraw/zinc/80/12/41/1029801241.db2.gz DZSKYNXUQOLBTM-MRXNPFEDSA-N 1 1 310.372 3.695 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2nonc2c1 ZINC000821354940 1029832273 /nfs/dbraw/zinc/83/22/73/1029832273.db2.gz MJAFQKAQFROQIF-UHFFFAOYSA-N 1 1 306.369 3.507 20 30 DHEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000451410927 1029870072 /nfs/dbraw/zinc/87/00/72/1029870072.db2.gz UEKVQJGAMQVXOR-ZWNOBZJWSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000451410927 1029870079 /nfs/dbraw/zinc/87/00/79/1029870079.db2.gz UEKVQJGAMQVXOR-ZWNOBZJWSA-N 1 1 300.299 3.860 20 30 DHEDMO CCO[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000451526844 1029899830 /nfs/dbraw/zinc/89/98/30/1029899830.db2.gz HCJJJUIQGXETHL-CRAIPNDOSA-N 1 1 300.446 3.735 20 30 DHEDMO C[N@@H+](CCCCNc1ccc(C(F)(F)F)cc1C#N)C1CC1 ZINC000413343153 1029964372 /nfs/dbraw/zinc/96/43/72/1029964372.db2.gz ABTNYMQBSLKWEY-UHFFFAOYSA-N 1 1 311.351 3.863 20 30 DHEDMO C[N@@H+](CCCCNc1ccc(Br)cc1C#N)C1CC1 ZINC000413348728 1029965167 /nfs/dbraw/zinc/96/51/67/1029965167.db2.gz PGWLXIAUPVEJKB-UHFFFAOYSA-N 1 1 322.250 3.607 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]2CC2(C)CCCCC2)C1=O ZINC001276290628 1029975750 /nfs/dbraw/zinc/97/57/50/1029975750.db2.gz YBBHQDAPXGOSRE-IBGZPJMESA-N 1 1 304.478 3.600 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000530733730 1029980115 /nfs/dbraw/zinc/98/01/15/1029980115.db2.gz RLSJZSGFGXBBJW-NRFANRHFSA-N 1 1 320.436 3.782 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3cccnc3C#N)cc2)C1 ZINC000357293772 1029981085 /nfs/dbraw/zinc/98/10/85/1029981085.db2.gz ASBNUVATRLRWCA-MRXNPFEDSA-N 1 1 320.440 3.797 20 30 DHEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000470954725 1029997387 /nfs/dbraw/zinc/99/73/87/1029997387.db2.gz BQVQDCPQYRMKET-IUODEOHRSA-N 1 1 312.335 3.600 20 30 DHEDMO Cc1cc(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(C)n1C ZINC000530778398 1030005989 /nfs/dbraw/zinc/00/59/89/1030005989.db2.gz ZHBCMCRNYHKQKC-UHFFFAOYSA-N 1 1 323.440 3.607 20 30 DHEDMO Cc1cc(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c(C)n1C ZINC000530778398 1030006005 /nfs/dbraw/zinc/00/60/05/1030006005.db2.gz ZHBCMCRNYHKQKC-UHFFFAOYSA-N 1 1 323.440 3.607 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000451844678 1030035573 /nfs/dbraw/zinc/03/55/73/1030035573.db2.gz SYZNUSJKDSMMHR-GOSISDBHSA-N 1 1 308.381 3.757 20 30 DHEDMO N#Cc1cccc(OCC[N@H+]2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000451844678 1030035589 /nfs/dbraw/zinc/03/55/89/1030035589.db2.gz SYZNUSJKDSMMHR-GOSISDBHSA-N 1 1 308.381 3.757 20 30 DHEDMO CN1CCC[C@H]([NH2+]Cc2cccc(F)c2C#N)c2ccccc21 ZINC000451875454 1030040954 /nfs/dbraw/zinc/04/09/54/1030040954.db2.gz BYRYSKQJTKJULZ-SFHVURJKSA-N 1 1 309.388 3.758 20 30 DHEDMO N#CCC[C@H](C#N)C[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000451920078 1030064784 /nfs/dbraw/zinc/06/47/84/1030064784.db2.gz FZHWLMKNYDSZRI-OAHLLOKOSA-N 1 1 317.383 3.663 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000451958821 1030067285 /nfs/dbraw/zinc/06/72/85/1030067285.db2.gz MMNCYEHLWMQKCD-HNNXBMFYSA-N 1 1 317.383 3.663 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)C1CC1 ZINC000357550897 1030100335 /nfs/dbraw/zinc/10/03/35/1030100335.db2.gz HTHOSOBXWLIAEG-CQSZACIVSA-N 1 1 312.413 3.603 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)C1CC1 ZINC000357550897 1030100345 /nfs/dbraw/zinc/10/03/45/1030100345.db2.gz HTHOSOBXWLIAEG-CQSZACIVSA-N 1 1 312.413 3.603 20 30 DHEDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CC(C)(C)C1 ZINC000452101475 1030120597 /nfs/dbraw/zinc/12/05/97/1030120597.db2.gz GTGKUKTWTSUIHY-UHFFFAOYSA-N 1 1 313.445 3.786 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000533147986 1030165357 /nfs/dbraw/zinc/16/53/57/1030165357.db2.gz JGFUDGVCXSIQHG-HZPDHXFCSA-N 1 1 323.864 3.758 20 30 DHEDMO CCC[N@@H+](CC)C[C@H](C)Nc1nc(C(F)(F)F)ccc1C#N ZINC000357774967 1030182249 /nfs/dbraw/zinc/18/22/49/1030182249.db2.gz NLMMJHGYVKKBIQ-NSHDSACASA-N 1 1 314.355 3.504 20 30 DHEDMO COc1ccc(C#N)cc1C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000557543317 1030184582 /nfs/dbraw/zinc/18/45/82/1030184582.db2.gz NTGQWXQUIGLYMG-UHFFFAOYSA-N 1 1 312.800 3.999 20 30 DHEDMO C[C@@H](CC(C)(C)C#N)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000924854276 1030207037 /nfs/dbraw/zinc/20/70/37/1030207037.db2.gz GBONIDANXHSGTQ-INIZCTEOSA-N 1 1 305.510 3.949 20 30 DHEDMO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000533289156 1030245054 /nfs/dbraw/zinc/24/50/54/1030245054.db2.gz WHEMQVNYODCWKV-HNNXBMFYSA-N 1 1 316.445 3.894 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000533289156 1030245069 /nfs/dbraw/zinc/24/50/69/1030245069.db2.gz WHEMQVNYODCWKV-HNNXBMFYSA-N 1 1 316.445 3.894 20 30 DHEDMO C[NH+](C)Cc1ccc(NC(=O)c2cc(C#N)cs2)cc1Cl ZINC000357958322 1030260556 /nfs/dbraw/zinc/26/05/56/1030260556.db2.gz AXXPHTBSQJXSBG-UHFFFAOYSA-N 1 1 319.817 3.587 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1ccc2c(c1)OCCCCO2 ZINC000823382727 1030272168 /nfs/dbraw/zinc/27/21/68/1030272168.db2.gz PHBLSWFSSPGRAA-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc2c(c1)OCCCCO2 ZINC000823382727 1030272180 /nfs/dbraw/zinc/27/21/80/1030272180.db2.gz PHBLSWFSSPGRAA-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO COc1ccccc1CC[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000533326478 1030272493 /nfs/dbraw/zinc/27/24/93/1030272493.db2.gz USZWBEIUNFCYLK-UHFFFAOYSA-N 1 1 313.828 3.875 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000823617931 1030342667 /nfs/dbraw/zinc/34/26/67/1030342667.db2.gz NTJZPCZXAIOOOR-SCLBCKFNSA-N 1 1 314.816 3.938 20 30 DHEDMO Cc1cc(F)ccc1[C@@H](O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000823619132 1030343891 /nfs/dbraw/zinc/34/38/91/1030343891.db2.gz XYBUYAUDPLRGCP-LIRRHRJNSA-N 1 1 312.388 3.732 20 30 DHEDMO C=C(C)COCC[NH2+][C@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000925531154 1030387292 /nfs/dbraw/zinc/38/72/92/1030387292.db2.gz INIAOFNFLARVPD-SNVBAGLBSA-N 1 1 322.758 3.997 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)[C@H]1CCc2ccc(F)cc21 ZINC000558173518 1030448605 /nfs/dbraw/zinc/44/86/05/1030448605.db2.gz PWIYAXUTKQPYNW-FQEVSTJZSA-N 1 1 324.399 3.833 20 30 DHEDMO C#CC[N@@H+](Cc1cnc(-c2c(F)cccc2F)s1)C1CC1 ZINC000824171438 1030487650 /nfs/dbraw/zinc/48/76/50/1030487650.db2.gz BXIZYSYLOABBOK-UHFFFAOYSA-N 1 1 304.365 3.686 20 30 DHEDMO C#CC[N@H+](Cc1cnc(-c2c(F)cccc2F)s1)C1CC1 ZINC000824171438 1030487660 /nfs/dbraw/zinc/48/76/60/1030487660.db2.gz BXIZYSYLOABBOK-UHFFFAOYSA-N 1 1 304.365 3.686 20 30 DHEDMO C[C@H]1CC(N=Nc2cccc(F)n2)C[N@@H+](Cc2ccccc2)C1 ZINC000795007078 1030561218 /nfs/dbraw/zinc/56/12/18/1030561218.db2.gz PXBWUSZMKCYVCJ-AWEZNQCLSA-N 1 1 312.392 3.531 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]2C)cc1OCCCC#N ZINC000247250477 1030681976 /nfs/dbraw/zinc/68/19/76/1030681976.db2.gz XEUASZIHFKELJC-CABCVRRESA-N 1 1 302.418 3.608 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cnc(C)cc1C ZINC000825220988 1030748376 /nfs/dbraw/zinc/74/83/76/1030748376.db2.gz CEJLQKMQSUJVIF-UHFFFAOYSA-N 1 1 314.816 3.654 20 30 DHEDMO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC000359182984 1030824241 /nfs/dbraw/zinc/82/42/41/1030824241.db2.gz BZFWRWNCVSRNKB-NSHDSACASA-N 1 1 303.406 3.964 20 30 DHEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC000359182984 1030824263 /nfs/dbraw/zinc/82/42/63/1030824263.db2.gz BZFWRWNCVSRNKB-NSHDSACASA-N 1 1 303.406 3.964 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000359465907 1030980211 /nfs/dbraw/zinc/98/02/11/1030980211.db2.gz LCTLNCNYDUQWKX-JKIFEVAISA-N 1 1 301.409 3.539 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C(C)C)cc2)C1=O ZINC001275656324 1031011668 /nfs/dbraw/zinc/01/16/68/1031011668.db2.gz YSGRTWWPSYYZJL-HXUWFJFHSA-N 1 1 312.457 3.563 20 30 DHEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000559048964 1031055952 /nfs/dbraw/zinc/05/59/52/1031055952.db2.gz AWRNRLIGKMELKR-HNNXBMFYSA-N 1 1 310.235 3.789 20 30 DHEDMO CC(C)Oc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1 ZINC000844369791 1031068308 /nfs/dbraw/zinc/06/83/08/1031068308.db2.gz NQEFUWRPASCEJF-FQEVSTJZSA-N 1 1 324.424 3.511 20 30 DHEDMO C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370495 1031072299 /nfs/dbraw/zinc/07/22/99/1031072299.db2.gz HLQKFVDUJPPEKL-QVKFZJNVSA-N 1 1 320.436 3.773 20 30 DHEDMO C=CCCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000359787072 1031138030 /nfs/dbraw/zinc/13/80/30/1031138030.db2.gz CHMRIEBMLLYXJD-FUHWJXTLSA-N 1 1 312.457 3.512 20 30 DHEDMO C=CCOCC[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000559154883 1031144254 /nfs/dbraw/zinc/14/42/54/1031144254.db2.gz IEORCEKKZUPNHC-UHFFFAOYSA-N 1 1 322.246 3.741 20 30 DHEDMO CCCCCCCCCNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000790970057 1031197229 /nfs/dbraw/zinc/19/72/29/1031197229.db2.gz DHFNGWZXELQESE-UHFFFAOYSA-N 1 1 320.481 3.769 20 30 DHEDMO Cc1cc(C2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)n[nH]1 ZINC000273042912 1031278967 /nfs/dbraw/zinc/27/89/67/1031278967.db2.gz XBYHGMHBKPSBGK-UHFFFAOYSA-N 1 1 313.832 3.603 20 30 DHEDMO N#Cc1ccc(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cc1 ZINC000428655820 1031300841 /nfs/dbraw/zinc/30/08/41/1031300841.db2.gz FLYVHOQQZGSQNA-LJQANCHMSA-N 1 1 323.465 3.588 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(O)c(OC)c1 ZINC000844746646 1031309636 /nfs/dbraw/zinc/30/96/36/1031309636.db2.gz NKOFHANRFPZAGR-QGZVFWFLSA-N 1 1 323.383 3.751 20 30 DHEDMO C#CCOc1ccc([C@@H](C)Nc2ccc3c(c2)[nH+]cn3C)cc1 ZINC000777692227 1031318058 /nfs/dbraw/zinc/31/80/58/1031318058.db2.gz BOZRMYFJUWIBIY-CQSZACIVSA-N 1 1 305.381 3.758 20 30 DHEDMO C=CC[N@@H+](C[C@H]1CC=CCC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000536675429 1031383903 /nfs/dbraw/zinc/38/39/03/1031383903.db2.gz MNRJCTCFVXVSDZ-SJORKVTESA-N 1 1 323.444 3.568 20 30 DHEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1cc(F)c(F)c(F)c1 ZINC000777741610 1031422520 /nfs/dbraw/zinc/42/25/20/1031422520.db2.gz WSWBVJHBVHPTFC-UHFFFAOYSA-N 1 1 320.314 3.638 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C1CC1 ZINC000536743931 1031426645 /nfs/dbraw/zinc/42/66/45/1031426645.db2.gz YLCIOSJEKKLCOO-UHFFFAOYSA-N 1 1 313.228 3.972 20 30 DHEDMO C=C1CN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000929258198 1031478449 /nfs/dbraw/zinc/47/84/49/1031478449.db2.gz OKPCCOYHSYUASE-UHFFFAOYSA-N 1 1 313.445 3.855 20 30 DHEDMO Cc1ccc(C)c(OC2CC[NH+](Cc3cncc(C#N)c3)CC2)c1 ZINC000929340387 1031497919 /nfs/dbraw/zinc/49/79/19/1031497919.db2.gz PZEDLKIBBPDAKP-UHFFFAOYSA-N 1 1 321.424 3.614 20 30 DHEDMO COc1cccc(C[N@H+](Cc2cncc(C#N)c2)CC(C)C)c1 ZINC000929398823 1031510960 /nfs/dbraw/zinc/51/09/60/1031510960.db2.gz WABYIWOJSSJEPY-UHFFFAOYSA-N 1 1 309.413 3.620 20 30 DHEDMO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000872139997 1031532585 /nfs/dbraw/zinc/53/25/85/1031532585.db2.gz VAVCAWGFYCUIAS-QIJZPMMNSA-N 1 1 310.485 3.679 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000537224114 1031544207 /nfs/dbraw/zinc/54/42/07/1031544207.db2.gz HUMQQVGWUDWQEC-QAPCUYQASA-N 1 1 318.436 3.651 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000537224114 1031544217 /nfs/dbraw/zinc/54/42/17/1031544217.db2.gz HUMQQVGWUDWQEC-QAPCUYQASA-N 1 1 318.436 3.651 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccccc2OCC(C)C)no1 ZINC000872176942 1031551310 /nfs/dbraw/zinc/55/13/10/1031551310.db2.gz WOPZBGYEUVMILJ-CYBMUJFWSA-N 1 1 321.808 3.914 20 30 DHEDMO C[C@@H]1SCC[N@H+](Cc2cncc(C#N)c2)[C@@H]1c1ccccc1 ZINC000929674446 1031574622 /nfs/dbraw/zinc/57/46/22/1031574622.db2.gz KHSQTTIJAKGDMJ-KSSFIOAISA-N 1 1 309.438 3.632 20 30 DHEDMO C[C@@H]1SCC[N@@H+](Cc2cncc(C#N)c2)[C@@H]1c1ccccc1 ZINC000929674446 1031574634 /nfs/dbraw/zinc/57/46/34/1031574634.db2.gz KHSQTTIJAKGDMJ-KSSFIOAISA-N 1 1 309.438 3.632 20 30 DHEDMO [NH2+]=C(Nc1cncc(C2CC2)c1)c1ccc2cc(O)ccc2c1 ZINC001171183025 1031595053 /nfs/dbraw/zinc/59/50/53/1031595053.db2.gz ZVCFUUWXCLOODQ-UHFFFAOYSA-N 1 1 303.365 3.855 20 30 DHEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000537408168 1031595167 /nfs/dbraw/zinc/59/51/67/1031595167.db2.gz VWHVWUROECZSMB-QKPAOTATSA-N 1 1 317.452 3.714 20 30 DHEDMO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000537408168 1031595173 /nfs/dbraw/zinc/59/51/73/1031595173.db2.gz VWHVWUROECZSMB-QKPAOTATSA-N 1 1 317.452 3.714 20 30 DHEDMO CCc1onc(C)c1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000929756233 1031598114 /nfs/dbraw/zinc/59/81/14/1031598114.db2.gz DAGMICSTZGMOFK-SJLPKXTDSA-N 1 1 309.413 3.817 20 30 DHEDMO CCc1onc(C)c1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000929756233 1031598124 /nfs/dbraw/zinc/59/81/24/1031598124.db2.gz DAGMICSTZGMOFK-SJLPKXTDSA-N 1 1 309.413 3.817 20 30 DHEDMO CC[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)[C@@H](CC)CN1C(C)=O ZINC000929766509 1031602773 /nfs/dbraw/zinc/60/27/73/1031602773.db2.gz NMCLKJOTKFNAQU-ZWKOTPCHSA-N 1 1 319.493 3.572 20 30 DHEDMO CC[N@H+]1CC[C@H](N(C)Cc2cc(Cl)cc(C#N)c2)C[C@H]1C ZINC000929782295 1031609254 /nfs/dbraw/zinc/60/92/54/1031609254.db2.gz UNMABGOPHVHQFK-DYVFJYSZSA-N 1 1 305.853 3.516 20 30 DHEDMO CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929800130 1031612038 /nfs/dbraw/zinc/61/20/38/1031612038.db2.gz SOGTYHBWBAVWCH-LYBXBRPPSA-N 1 1 311.473 3.523 20 30 DHEDMO C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@H](c2ccsc2)O1 ZINC000929830725 1031617235 /nfs/dbraw/zinc/61/72/35/1031617235.db2.gz ARJYCMAGBXXPCN-PBMMVSLJSA-N 1 1 304.459 3.840 20 30 DHEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1c(C)cc(C#N)cc1C ZINC000929835100 1031621196 /nfs/dbraw/zinc/62/11/96/1031621196.db2.gz POSMZYKFBGUCSN-IBGZPJMESA-N 1 1 308.429 3.554 20 30 DHEDMO N#Cc1cncc(C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)c1 ZINC000929889688 1031637086 /nfs/dbraw/zinc/63/70/86/1031637086.db2.gz HCCXAHLWBAGKQK-HXUWFJFHSA-N 1 1 303.409 3.995 20 30 DHEDMO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCCCC1(C#N)CCC1 ZINC000929988042 1031669694 /nfs/dbraw/zinc/66/96/94/1031669694.db2.gz VKQGJPHIJRHXQK-KRWDZBQOSA-N 1 1 314.429 3.697 20 30 DHEDMO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000929988042 1031669702 /nfs/dbraw/zinc/66/97/02/1031669702.db2.gz VKQGJPHIJRHXQK-KRWDZBQOSA-N 1 1 314.429 3.697 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](CC)C[C@@H](C)OC)ccc1OC ZINC000361007893 1031672413 /nfs/dbraw/zinc/67/24/13/1031672413.db2.gz BSZAUDOWHQPLET-OAHLLOKOSA-N 1 1 307.434 3.507 20 30 DHEDMO C[N@@H+](CC1CCC(C#N)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000930036421 1031682970 /nfs/dbraw/zinc/68/29/70/1031682970.db2.gz AUCUTQDIPQHLNI-LYBXBRPPSA-N 1 1 311.473 3.523 20 30 DHEDMO Cc1nsc(Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1C#N ZINC000361042489 1031693049 /nfs/dbraw/zinc/69/30/49/1031693049.db2.gz KYGKFHPNBKWRGJ-UHFFFAOYSA-N 1 1 309.398 3.831 20 30 DHEDMO N#Cc1c(F)cccc1CNC1CCC([NH+]2CCCCC2)CC1 ZINC000873072855 1031705484 /nfs/dbraw/zinc/70/54/84/1031705484.db2.gz CFKUZFZFEOMMCL-UHFFFAOYSA-N 1 1 315.436 3.584 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](Oc3cccc(OC)c3)C2)cc1 ZINC001144574010 1031725555 /nfs/dbraw/zinc/72/55/55/1031725555.db2.gz XZCOBEAOSIKOLL-OAQYLSRUSA-N 1 1 321.420 3.720 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cc1 ZINC001144576826 1031725934 /nfs/dbraw/zinc/72/59/34/1031725934.db2.gz RPCFRMTUSFCLLA-FQEVSTJZSA-N 1 1 316.404 3.583 20 30 DHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000026470135 1031766768 /nfs/dbraw/zinc/76/67/68/1031766768.db2.gz DWUWWTURGVNOJM-SWLSCSKDSA-N 1 1 319.836 3.661 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](CCN(C)C)Cc1ccccc1 ZINC001171204351 1031805020 /nfs/dbraw/zinc/80/50/20/1031805020.db2.gz WIKCBXXXBPOOOC-GOSISDBHSA-N 1 1 321.468 3.553 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)N(CC[NH+](C)C)Cc1ccccc1 ZINC001171204351 1031805042 /nfs/dbraw/zinc/80/50/42/1031805042.db2.gz WIKCBXXXBPOOOC-GOSISDBHSA-N 1 1 321.468 3.553 20 30 DHEDMO C[C@@H](CC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000846006510 1031805697 /nfs/dbraw/zinc/80/56/97/1031805697.db2.gz IVAVVBYSBZMDPZ-OXJNMPFZSA-N 1 1 308.425 3.717 20 30 DHEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)CC(C)(C)c1ccccc1 ZINC000846008364 1031806179 /nfs/dbraw/zinc/80/61/79/1031806179.db2.gz VYKFEEZLCWGNDT-LJQANCHMSA-N 1 1 308.425 3.501 20 30 DHEDMO C=CC[NH+]1CCC(N[C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000361240611 1031808146 /nfs/dbraw/zinc/80/81/46/1031808146.db2.gz OIYKGSBTRUGIJJ-QGZVFWFLSA-N 1 1 320.864 3.794 20 30 DHEDMO N#CC1(CCCC[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CCC1 ZINC000930521023 1031857244 /nfs/dbraw/zinc/85/72/44/1031857244.db2.gz HSZMRPOUKIPHFK-DLBZAZTESA-N 1 1 302.462 3.884 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)CCC1 ZINC000930525947 1031857925 /nfs/dbraw/zinc/85/79/25/1031857925.db2.gz CYBAIRGTESFYCC-OAHLLOKOSA-N 1 1 306.841 3.647 20 30 DHEDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000361423158 1031919191 /nfs/dbraw/zinc/91/91/91/1031919191.db2.gz RZYSFWNTEFZWRL-QGZVFWFLSA-N 1 1 324.371 3.551 20 30 DHEDMO CC[N@@H+](CC1CCC1)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000361481320 1031945724 /nfs/dbraw/zinc/94/57/24/1031945724.db2.gz LPUDZNDNLLVUJZ-GFCCVEGCSA-N 1 1 319.836 3.661 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000930807991 1031957025 /nfs/dbraw/zinc/95/70/25/1031957025.db2.gz BXZKHCKUSOHRRH-QGZVFWFLSA-N 1 1 311.816 3.986 20 30 DHEDMO C=CCCCCCCCCC(=O)N1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001144797883 1031969043 /nfs/dbraw/zinc/96/90/43/1031969043.db2.gz SFQGADXPOKZPLH-ROUUACIJSA-N 1 1 306.494 3.846 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1cccc(F)c1F ZINC001171228787 1031989682 /nfs/dbraw/zinc/98/96/82/1031989682.db2.gz IXRNTJZTWVXNTC-CYBMUJFWSA-N 1 1 300.352 3.899 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)cc1C#N ZINC000361570916 1031991841 /nfs/dbraw/zinc/99/18/41/1031991841.db2.gz GRHCQPKQOYYHCS-NRFANRHFSA-N 1 1 319.452 3.767 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001171228011 1031992092 /nfs/dbraw/zinc/99/20/92/1031992092.db2.gz DEHVGBIPZRDBHJ-ZDUSSCGKSA-N 1 1 311.816 3.596 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CCO[C@H](CC(F)(F)F)C2)CCC1 ZINC000931072216 1032025189 /nfs/dbraw/zinc/02/51/89/1032025189.db2.gz HKSGRPDAOOXFSK-CYBMUJFWSA-N 1 1 304.356 3.504 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCO[C@H](CC(F)(F)F)C2)CCC1 ZINC000931072216 1032025194 /nfs/dbraw/zinc/02/51/94/1032025194.db2.gz HKSGRPDAOOXFSK-CYBMUJFWSA-N 1 1 304.356 3.504 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CCCC3(CC(F)C3)CC2)cc1 ZINC001137121570 1033328659 /nfs/dbraw/zinc/32/86/59/1033328659.db2.gz SAFOOCMKADGXTR-UHFFFAOYSA-N 1 1 302.393 3.693 20 30 DHEDMO COc1ccc(C[N@H+](CC2(C#N)CC2)[C@H](C)C2CC2)c(OC)c1 ZINC000338378361 1033333802 /nfs/dbraw/zinc/33/38/02/1033333802.db2.gz RTGOUPNMCFOWLG-CQSZACIVSA-N 1 1 314.429 3.608 20 30 DHEDMO COc1ccc(C[N@@H+](CC2(C#N)CC2)[C@H](C)C2CC2)c(OC)c1 ZINC000338378361 1033333809 /nfs/dbraw/zinc/33/38/09/1033333809.db2.gz RTGOUPNMCFOWLG-CQSZACIVSA-N 1 1 314.429 3.608 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2Cc3cccc(O)c3C2)c1 ZINC000877704029 1033419497 /nfs/dbraw/zinc/41/94/97/1033419497.db2.gz XEXCIASGAUIQTL-UHFFFAOYSA-N 1 1 308.381 3.591 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001173088132 1033518051 /nfs/dbraw/zinc/51/80/51/1033518051.db2.gz PVRSIHYCLWWWRU-ZIAGYGMSSA-N 1 1 311.347 3.861 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@H](C)C(C)(C)C)c1ccccc1 ZINC000877953361 1033528203 /nfs/dbraw/zinc/52/82/03/1033528203.db2.gz LKMZDBQJONTMJE-BEFAXECRSA-N 1 1 300.446 3.793 20 30 DHEDMO C#CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)C1CCCCC1 ZINC000878001692 1033547828 /nfs/dbraw/zinc/54/78/28/1033547828.db2.gz YIZHTMLMUPGUBC-OAQYLSRUSA-N 1 1 322.452 3.695 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](Cc1ccco1)C(C)C)c1ccccc1 ZINC000878001965 1033548410 /nfs/dbraw/zinc/54/84/10/1033548410.db2.gz JHTPRZJUGJJMPW-FQEVSTJZSA-N 1 1 324.424 3.931 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+](Cc1ccco1)C(C)C)c1ccccc1 ZINC000878001965 1033548417 /nfs/dbraw/zinc/54/84/17/1033548417.db2.gz JHTPRZJUGJJMPW-FQEVSTJZSA-N 1 1 324.424 3.931 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(OCC2CC2)c(F)c1 ZINC000153426880 1033579559 /nfs/dbraw/zinc/57/95/59/1033579559.db2.gz XDHLRHFOBNDSRS-LBPRGKRZSA-N 1 1 314.360 3.930 20 30 DHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1CC[C@@H](CC)C1)C2 ZINC001173274353 1033644513 /nfs/dbraw/zinc/64/45/13/1033644513.db2.gz DOWZZEBNIZNOJL-NCXUSEDFSA-N 1 1 307.478 3.639 20 30 DHEDMO CCCCCCCC[C@H](CCC)[N@H+]1CC[C@H](O)[C@](C)(CO)C1 ZINC001173309366 1033662334 /nfs/dbraw/zinc/66/23/34/1033662334.db2.gz HEJJCHAGLUGVMN-FHWLQOOXSA-N 1 1 313.526 3.971 20 30 DHEDMO CCSC[C@@H](C)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001173308749 1033663590 /nfs/dbraw/zinc/66/35/90/1033663590.db2.gz ORSQJBPAQMYAKT-PBHICJAKSA-N 1 1 304.459 3.543 20 30 DHEDMO CCSC[C@H](C)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001173312601 1033665012 /nfs/dbraw/zinc/66/50/12/1033665012.db2.gz UPFZWFCHSJGZPP-YOEHRIQHSA-N 1 1 304.459 3.543 20 30 DHEDMO N#CCC1CCC([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001173325616 1033685123 /nfs/dbraw/zinc/68/51/23/1033685123.db2.gz LOTAYTHTHFCZPW-SYYJFZTOSA-N 1 1 311.473 3.571 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCc3ncc(Cl)cc3C2)CC1 ZINC001173322395 1033686751 /nfs/dbraw/zinc/68/67/51/1033686751.db2.gz DFPDNUQIBYTSBD-UHFFFAOYSA-N 1 1 306.837 3.607 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)CC1 ZINC001173326946 1033688213 /nfs/dbraw/zinc/68/82/13/1033688213.db2.gz WVLFULQZBWXLNP-FUFFSDJGSA-N 1 1 320.521 3.839 20 30 DHEDMO C=CCOC1CCC([N@@H+]2CCCC[C@@H]2C[C@@H]2CCCN2C)CC1 ZINC001173326946 1033688220 /nfs/dbraw/zinc/68/82/20/1033688220.db2.gz WVLFULQZBWXLNP-FUFFSDJGSA-N 1 1 320.521 3.839 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCC[C@H]2Cc2ccccn2)CC1 ZINC001173327039 1033688862 /nfs/dbraw/zinc/68/88/62/1033688862.db2.gz BVBQKXBOSZBGET-XBMUEBEBSA-N 1 1 300.446 3.602 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000878399396 1033689683 /nfs/dbraw/zinc/68/96/83/1033689683.db2.gz LQFSFDUWUCEVOA-NASSWSRMSA-N 1 1 324.468 3.938 20 30 DHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1C1CCC(CC#N)CC1 ZINC001173336760 1033691234 /nfs/dbraw/zinc/69/12/34/1033691234.db2.gz KLVZQQACCTYBII-UYSNPLJNSA-N 1 1 306.450 3.655 20 30 DHEDMO N#CCC1CCC(n2ccc(C[NH2+]Cc3ccccc3)n2)CC1 ZINC001173336558 1033691436 /nfs/dbraw/zinc/69/14/36/1033691436.db2.gz DKLADAVRXNFQQC-UHFFFAOYSA-N 1 1 308.429 3.818 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)C[C@@H]1CC=CCC1)c1ccccc1 ZINC000878404750 1033692346 /nfs/dbraw/zinc/69/23/46/1033692346.db2.gz TXJRATIZEYTSNL-UYAOXDASSA-N 1 1 310.441 3.715 20 30 DHEDMO N#CCC1CCC([N@H+]2CCOC[C@H]2c2ccc(F)cc2)CC1 ZINC001173340862 1033697410 /nfs/dbraw/zinc/69/74/10/1033697410.db2.gz MPMYUSVAOBHJJH-UYJHFMRCSA-N 1 1 302.393 3.671 20 30 DHEDMO N#CCC1CCC([N@@H+]2CCOC[C@H]2c2ccc(F)cc2)CC1 ZINC001173340862 1033697414 /nfs/dbraw/zinc/69/74/14/1033697414.db2.gz MPMYUSVAOBHJJH-UYJHFMRCSA-N 1 1 302.393 3.671 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@@H](c3ccccc3OC)C2)CC1 ZINC001173319676 1033713392 /nfs/dbraw/zinc/71/33/92/1033713392.db2.gz RFNJBNNRUIDLDE-WWDZGPRUSA-N 1 1 315.457 3.998 20 30 DHEDMO C=C(C)C[N@H+](CC)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173421071 1033730359 /nfs/dbraw/zinc/73/03/59/1033730359.db2.gz RNGGTGIINUEWNJ-UHFFFAOYSA-N 1 1 320.864 3.843 20 30 DHEDMO C=CC[C@@H]1[N@H+](C[C@@H]2CCC3(CCOCC3)O2)CCCC1(C)C ZINC000878515845 1033731793 /nfs/dbraw/zinc/73/17/93/1033731793.db2.gz JLPHDWKBJYCCAV-IRXDYDNUSA-N 1 1 307.478 3.781 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H](C2CC2)C1)c1ccccc1 ZINC000878621539 1033770120 /nfs/dbraw/zinc/77/01/20/1033770120.db2.gz CUGDCAAJHKNUSM-QUCCMNQESA-N 1 1 310.441 3.549 20 30 DHEDMO C#CCCCCC[N@@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000878619319 1033770472 /nfs/dbraw/zinc/77/04/72/1033770472.db2.gz WLYFHFQSUFGMST-HNNXBMFYSA-N 1 1 300.450 3.506 20 30 DHEDMO C#CCCCCC[N@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000878619319 1033770488 /nfs/dbraw/zinc/77/04/88/1033770488.db2.gz WLYFHFQSUFGMST-HNNXBMFYSA-N 1 1 300.450 3.506 20 30 DHEDMO CCCC[C@@H](C)[N@@H+](C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878632576 1033778153 /nfs/dbraw/zinc/77/81/53/1033778153.db2.gz HIWSWCLEJZGGTF-APWZRJJASA-N 1 1 300.446 3.938 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)CC1 ZINC001173596354 1033781218 /nfs/dbraw/zinc/78/12/18/1033781218.db2.gz SVNQTXCWYVDIQN-SWKXRBFHSA-N 1 1 320.383 3.890 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCc3ncc(C(F)(F)F)cc3C2)CC1 ZINC001173599934 1033786759 /nfs/dbraw/zinc/78/67/59/1033786759.db2.gz UBEXDGJPMAPAIE-UHFFFAOYSA-N 1 1 323.362 3.931 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@H+](Cc2ccccc2)CC2CCC2)cc1 ZINC000127275372 1033792046 /nfs/dbraw/zinc/79/20/46/1033792046.db2.gz WKJUCHYZSFCDER-OAQYLSRUSA-N 1 1 320.436 3.894 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H](C2CCC2)C1)c1ccccc1 ZINC000878716702 1033805338 /nfs/dbraw/zinc/80/53/38/1033805338.db2.gz NROBSHNIRRICPC-UYAOXDASSA-N 1 1 310.441 3.549 20 30 DHEDMO C#CCCCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000878814548 1033836472 /nfs/dbraw/zinc/83/64/72/1033836472.db2.gz OBOJWLQJLUTWOQ-HOTGVXAUSA-N 1 1 308.466 3.558 20 30 DHEDMO C=CC(C)(C)CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000878844182 1033842172 /nfs/dbraw/zinc/84/21/72/1033842172.db2.gz SMHWUYLJYBXWIN-DLBZAZTESA-N 1 1 306.494 3.702 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000862440996 1033856689 /nfs/dbraw/zinc/85/66/89/1033856689.db2.gz NKPQZDBQSJLSGB-LBPRGKRZSA-N 1 1 323.462 3.888 20 30 DHEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC000862443645 1033857001 /nfs/dbraw/zinc/85/70/01/1033857001.db2.gz RPSRMHROMALSTA-QGZVFWFLSA-N 1 1 306.409 3.506 20 30 DHEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000829773318 1033871714 /nfs/dbraw/zinc/87/17/14/1033871714.db2.gz CWALLZZCMYVUHA-STQMWFEESA-N 1 1 301.415 3.594 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+](CCC1CC1)CC1CC1)c1ccccc1 ZINC000878996571 1033888295 /nfs/dbraw/zinc/88/82/95/1033888295.db2.gz UICSDTSXTSNGNV-NRFANRHFSA-N 1 1 324.468 3.939 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc(F)c(F)c3)sc2C1 ZINC001173864208 1033897705 /nfs/dbraw/zinc/89/77/05/1033897705.db2.gz CLSBJXICSNYIEW-UHFFFAOYSA-N 1 1 305.353 3.629 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCCC(F)(F)CC1)c1ccccc1 ZINC000879035215 1033903547 /nfs/dbraw/zinc/90/35/47/1033903547.db2.gz JKHJGTLJSKMCSX-QGZVFWFLSA-N 1 1 320.383 3.548 20 30 DHEDMO CC1(C)C[C@H](C[N@H+]2CCc3c(CC#N)cccc3C2)C(C)(C)O1 ZINC000879064346 1033911338 /nfs/dbraw/zinc/91/13/38/1033911338.db2.gz COLPKRIURUAZCH-QGZVFWFLSA-N 1 1 312.457 3.704 20 30 DHEDMO C[NH+]1CCC2(CCN(Cc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000879250091 1033965767 /nfs/dbraw/zinc/96/57/67/1033965767.db2.gz MDNMUAKTCYQPET-UHFFFAOYSA-N 1 1 317.864 3.519 20 30 DHEDMO CN(C)c1ccc(/C=C/C=[NH+]NCC(F)(F)C(F)(F)F)cc1 ZINC000863183279 1034017079 /nfs/dbraw/zinc/01/70/79/1034017079.db2.gz SMDCSMJSNSFFFN-PQXRUWMISA-N 1 1 321.293 3.539 20 30 DHEDMO C=CCCCC(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000480040512 1034024950 /nfs/dbraw/zinc/02/49/50/1034024950.db2.gz NYGBCENVQRSWJW-INIZCTEOSA-N 1 1 316.445 3.702 20 30 DHEDMO N#Cc1ncc(Nc2cc[nH+]c3ccccc23)cc1C(F)(F)F ZINC001174038257 1034092028 /nfs/dbraw/zinc/09/20/28/1034092028.db2.gz AIGYFXMZHQOCAF-UHFFFAOYSA-N 1 1 314.270 3.686 20 30 DHEDMO N#Cc1cc(Cl)ccc1CO[NH+]=C(N)CCC(F)(F)F ZINC000863490664 1034108534 /nfs/dbraw/zinc/10/85/34/1034108534.db2.gz PTNHUUQCBDPIDJ-UHFFFAOYSA-N 1 1 305.687 3.553 20 30 DHEDMO CC(C)(C#N)c1ccccc1CO[NH+]=C(N)CCC(F)(F)F ZINC000863490105 1034108781 /nfs/dbraw/zinc/10/87/81/1034108781.db2.gz FNUSUTHUYIJKDW-UHFFFAOYSA-N 1 1 313.323 3.829 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1cncc(C)c1 ZINC000879750600 1034112619 /nfs/dbraw/zinc/11/26/19/1034112619.db2.gz YEQFLHWLMRXKLK-SFHVURJKSA-N 1 1 307.397 3.607 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000554404749 1034135848 /nfs/dbraw/zinc/13/58/48/1034135848.db2.gz DONHBXCQVAWSGE-IBGZPJMESA-N 1 1 319.408 3.799 20 30 DHEDMO Cc1csc([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000880009037 1034180173 /nfs/dbraw/zinc/18/01/73/1034180173.db2.gz JALPQQWUEFSKEM-CYBMUJFWSA-N 1 1 317.845 3.966 20 30 DHEDMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000880009037 1034180187 /nfs/dbraw/zinc/18/01/87/1034180187.db2.gz JALPQQWUEFSKEM-CYBMUJFWSA-N 1 1 317.845 3.966 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000880320081 1034297702 /nfs/dbraw/zinc/29/77/02/1034297702.db2.gz NSXZYRIWQASGES-HNNXBMFYSA-N 1 1 311.454 3.934 20 30 DHEDMO C=CCCC[N@@H+](C)Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000645805944 1034305200 /nfs/dbraw/zinc/30/52/00/1034305200.db2.gz YKHFGYIXGLWHFP-UHFFFAOYSA-N 1 1 309.772 3.927 20 30 DHEDMO C=CCCC[N@H+](C)Cc1noc(-c2c(F)cccc2Cl)n1 ZINC000645805944 1034305209 /nfs/dbraw/zinc/30/52/09/1034305209.db2.gz YKHFGYIXGLWHFP-UHFFFAOYSA-N 1 1 309.772 3.927 20 30 DHEDMO COc1cccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC001174394755 1034318176 /nfs/dbraw/zinc/31/81/76/1034318176.db2.gz LYNOJZBRDWCYPO-UHFFFAOYSA-N 1 1 319.408 3.769 20 30 DHEDMO N#Cc1cc(NC2=CCC[N@H+](Cc3ccccc3)C2)c(O)cc1F ZINC001174394358 1034319361 /nfs/dbraw/zinc/31/93/61/1034319361.db2.gz IDUPANPLULUKMA-UHFFFAOYSA-N 1 1 323.371 3.605 20 30 DHEDMO N#Cc1cc(NC2=CCC[N@@H+](Cc3ccccc3)C2)c(O)cc1F ZINC001174394358 1034319374 /nfs/dbraw/zinc/31/93/74/1034319374.db2.gz IDUPANPLULUKMA-UHFFFAOYSA-N 1 1 323.371 3.605 20 30 DHEDMO N#Cc1ccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC001174396527 1034322143 /nfs/dbraw/zinc/32/21/43/1034322143.db2.gz FQWGYHHFEPKCBW-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO COc1ccc(C#N)c(NC2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001174397294 1034326125 /nfs/dbraw/zinc/32/61/25/1034326125.db2.gz SEMUHVFEFMJFMC-UHFFFAOYSA-N 1 1 319.408 3.769 20 30 DHEDMO CC[N@@H+](Cc1cc(OC)ccc1O)[C@@H](C)c1ccc(C#N)cc1 ZINC000179722614 1034329768 /nfs/dbraw/zinc/32/97/68/1034329768.db2.gz WDOZGMXQZKUORA-AWEZNQCLSA-N 1 1 310.397 3.856 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1Cl ZINC000554888788 1034391516 /nfs/dbraw/zinc/39/15/16/1034391516.db2.gz SSLBFHMWAKNDIN-WMLDXEAASA-N 1 1 322.880 3.677 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1Cl ZINC000554888788 1034391527 /nfs/dbraw/zinc/39/15/27/1034391527.db2.gz SSLBFHMWAKNDIN-WMLDXEAASA-N 1 1 322.880 3.677 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000554888788 1034391538 /nfs/dbraw/zinc/39/15/38/1034391538.db2.gz SSLBFHMWAKNDIN-WMLDXEAASA-N 1 1 322.880 3.677 20 30 DHEDMO COc1cc(C#N)ccc1C[NH2+][C@H](c1nc(C)cs1)C1CC1 ZINC000183496430 1034394417 /nfs/dbraw/zinc/39/44/17/1034394417.db2.gz SKLFDTUTKKGJFD-INIZCTEOSA-N 1 1 313.426 3.573 20 30 DHEDMO COc1cccc([C@@]2(C)CC[N@@H+](Cc3cccc(C#N)c3)C2)c1 ZINC001174583120 1034488078 /nfs/dbraw/zinc/48/80/78/1034488078.db2.gz OSMKMJYNTARODR-FQEVSTJZSA-N 1 1 306.409 3.730 20 30 DHEDMO CC[NH+](CC)[C@H](C)C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000794832430 1034551098 /nfs/dbraw/zinc/55/10/98/1034551098.db2.gz IXLLVRUGBXDASL-IYPWXLATSA-N 1 1 303.233 3.848 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000481194242 1034649165 /nfs/dbraw/zinc/64/91/65/1034649165.db2.gz AYNORDMESJBIRG-FQEVSTJZSA-N 1 1 322.452 3.595 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000481241773 1034687637 /nfs/dbraw/zinc/68/76/37/1034687637.db2.gz WCGWBJJYTKTPOK-HOTGVXAUSA-N 1 1 310.441 3.913 20 30 DHEDMO C[C@@H](C[N@@H+](C)Cc1ccc(Cl)cc1C#N)c1nccs1 ZINC000187482686 1034708570 /nfs/dbraw/zinc/70/85/70/1034708570.db2.gz BQRDTDDADUCXFZ-NSHDSACASA-N 1 1 305.834 3.904 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000187715659 1034727720 /nfs/dbraw/zinc/72/77/20/1034727720.db2.gz AWKKPWIVLFQPQN-LLVKDONJSA-N 1 1 322.334 3.504 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000187715659 1034727738 /nfs/dbraw/zinc/72/77/38/1034727738.db2.gz AWKKPWIVLFQPQN-LLVKDONJSA-N 1 1 322.334 3.504 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000481303519 1034730782 /nfs/dbraw/zinc/73/07/82/1034730782.db2.gz WTGYVRPUISRYFR-QGZVFWFLSA-N 1 1 322.452 3.789 20 30 DHEDMO COc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1OC1CC1 ZINC000600117728 1034740022 /nfs/dbraw/zinc/74/00/22/1034740022.db2.gz NMTABXGZEGAUCC-UHFFFAOYSA-N 1 1 316.445 3.998 20 30 DHEDMO COc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1OC1CC1 ZINC000600117728 1034740035 /nfs/dbraw/zinc/74/00/35/1034740035.db2.gz NMTABXGZEGAUCC-UHFFFAOYSA-N 1 1 316.445 3.998 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc2n[nH]cc21 ZINC000600121506 1034748890 /nfs/dbraw/zinc/74/88/90/1034748890.db2.gz VLXMCAREKSQEGW-XLIONFOSSA-N 1 1 316.408 3.835 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NOC1CCCCC1 ZINC000777459400 1034752700 /nfs/dbraw/zinc/75/27/00/1034752700.db2.gz PRECIEPWQKAPHP-HNNXBMFYSA-N 1 1 301.434 3.629 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191273370 1034758143 /nfs/dbraw/zinc/75/81/43/1034758143.db2.gz RLYJMCZNECLGDO-OAHLLOKOSA-N 1 1 318.509 3.638 20 30 DHEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481376780 1034789443 /nfs/dbraw/zinc/78/94/43/1034789443.db2.gz XURUQVXJWXMMET-MLGOLLRUSA-N 1 1 319.836 3.661 20 30 DHEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481376778 1034790169 /nfs/dbraw/zinc/79/01/69/1034790169.db2.gz XURUQVXJWXMMET-BLLLJJGKSA-N 1 1 319.836 3.661 20 30 DHEDMO C=CC[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000600186561 1034797117 /nfs/dbraw/zinc/79/71/17/1034797117.db2.gz QWJMHBUHOXEWIQ-KRWDZBQOSA-N 1 1 320.440 3.862 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cc3ccccc3[nH]1)C2 ZINC000600212769 1034806147 /nfs/dbraw/zinc/80/61/47/1034806147.db2.gz JCNHIPUCZJTGMR-UHFFFAOYSA-N 1 1 301.393 3.792 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@H](c4ccc(O)cc4)C3)cc2)CC1 ZINC000600213941 1034807954 /nfs/dbraw/zinc/80/79/54/1034807954.db2.gz JATCYYSHRWBBPI-SFHVURJKSA-N 1 1 318.420 3.937 20 30 DHEDMO C[N@H+](Cc1ccc(Br)cc1F)CC1(CC#N)CC1 ZINC001175128142 1034829774 /nfs/dbraw/zinc/82/97/74/1034829774.db2.gz IQAIXJSOIPFTDW-UHFFFAOYSA-N 1 1 311.198 3.714 20 30 DHEDMO C[N@@H+](Cc1ccc(Br)cc1F)CC1(CC#N)CC1 ZINC001175128142 1034829788 /nfs/dbraw/zinc/82/97/88/1034829788.db2.gz IQAIXJSOIPFTDW-UHFFFAOYSA-N 1 1 311.198 3.714 20 30 DHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N(CCC)CCC)c1ccc(F)c(F)c1 ZINC000481610590 1034898204 /nfs/dbraw/zinc/89/82/04/1034898204.db2.gz QIZPDVNFWZPNMW-GOSISDBHSA-N 1 1 324.415 3.820 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cccc(Br)c2)no1 ZINC000899994314 1035001637 /nfs/dbraw/zinc/00/16/37/1035001637.db2.gz YBUVRWALYOQLLR-LBPRGKRZSA-N 1 1 322.206 3.855 20 30 DHEDMO N#CCc1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001175506327 1035017285 /nfs/dbraw/zinc/01/72/85/1035017285.db2.gz VEQAMXKRBKYVEP-UHFFFAOYSA-N 1 1 303.409 3.954 20 30 DHEDMO N#Cc1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c(C#N)c1 ZINC001175506903 1035018990 /nfs/dbraw/zinc/01/89/90/1035018990.db2.gz IZADNHVSGCJOKP-UHFFFAOYSA-N 1 1 314.392 3.632 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC001175532461 1035029900 /nfs/dbraw/zinc/02/99/00/1035029900.db2.gz PAJIYWPDSOKBMM-RTWAWAEBSA-N 1 1 320.436 3.953 20 30 DHEDMO CC(C)[N@@H+](CCc1nccs1)Cc1ccc(F)cc1C#N ZINC000159888499 1035106099 /nfs/dbraw/zinc/10/60/99/1035106099.db2.gz RXYWIIGYVQNOIK-UHFFFAOYSA-N 1 1 303.406 3.607 20 30 DHEDMO C#Cc1cccc(Nc2ccc(C[NH+]3CCN(CC)CC3)cc2)c1 ZINC001175974857 1035171346 /nfs/dbraw/zinc/17/13/46/1035171346.db2.gz DLCBVCCEPXBJGR-UHFFFAOYSA-N 1 1 319.452 3.549 20 30 DHEDMO C#Cc1cccc(Nc2c[nH+]c3ccc(Br)cn23)c1 ZINC001175972208 1035171367 /nfs/dbraw/zinc/17/13/67/1035171367.db2.gz RLLRBAQYHILEQK-UHFFFAOYSA-N 1 1 312.170 3.822 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000160380806 1035180743 /nfs/dbraw/zinc/18/07/43/1035180743.db2.gz RJWCWOXLKWCHFV-HXUWFJFHSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000160380806 1035180746 /nfs/dbraw/zinc/18/07/46/1035180746.db2.gz RJWCWOXLKWCHFV-HXUWFJFHSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)ccc1C1CC1 ZINC001176011264 1035184461 /nfs/dbraw/zinc/18/44/61/1035184461.db2.gz UDRUQKBUHUXSOL-IBGZPJMESA-N 1 1 323.440 3.781 20 30 DHEDMO C[C@H]([NH2+]CC#Cc1ccccc1)c1ccc(Br)cn1 ZINC000482986495 1035210383 /nfs/dbraw/zinc/21/03/83/1035210383.db2.gz SLNBIEKOXJAIRJ-ZDUSSCGKSA-N 1 1 315.214 3.546 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC001176184254 1035213962 /nfs/dbraw/zinc/21/39/62/1035213962.db2.gz HKIIDSXDLBZFDJ-CQSZACIVSA-N 1 1 314.376 3.655 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC001176184254 1035213967 /nfs/dbraw/zinc/21/39/67/1035213967.db2.gz HKIIDSXDLBZFDJ-CQSZACIVSA-N 1 1 314.376 3.655 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(Br)o1 ZINC000483321305 1035258812 /nfs/dbraw/zinc/25/88/12/1035258812.db2.gz OTNLXKGGXKGFKZ-UHFFFAOYSA-N 1 1 310.191 3.866 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC(C)=C(C)C1 ZINC000483368515 1035262916 /nfs/dbraw/zinc/26/29/16/1035262916.db2.gz CNZKLOFQIWOTDD-INIZCTEOSA-N 1 1 318.486 3.693 20 30 DHEDMO C=CC[N@H+](CCCF)Cc1cc(Br)ccc1F ZINC000483422139 1035268915 /nfs/dbraw/zinc/26/89/15/1035268915.db2.gz PUYSIPMQTWFUGZ-UHFFFAOYSA-N 1 1 304.178 3.936 20 30 DHEDMO C=CC[N@@H+](CCCF)Cc1cc(Br)ccc1F ZINC000483422139 1035268911 /nfs/dbraw/zinc/26/89/11/1035268911.db2.gz PUYSIPMQTWFUGZ-UHFFFAOYSA-N 1 1 304.178 3.936 20 30 DHEDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1ccc(C#N)c(F)c1 ZINC000483515755 1035275550 /nfs/dbraw/zinc/27/55/50/1035275550.db2.gz NUNVUSFCDNWVSF-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO Cc1ccccc1OCCC[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000483520565 1035277324 /nfs/dbraw/zinc/27/73/24/1035277324.db2.gz VCVAXPGVLGULLL-UHFFFAOYSA-N 1 1 312.388 3.907 20 30 DHEDMO C=CCC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC001176771704 1035330253 /nfs/dbraw/zinc/33/02/53/1035330253.db2.gz RFKDWXCLSKGGTH-MRXNPFEDSA-N 1 1 308.372 3.724 20 30 DHEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC001176771747 1035330702 /nfs/dbraw/zinc/33/07/02/1035330702.db2.gz TZPJVUAHVKKWJY-OAHLLOKOSA-N 1 1 313.397 3.738 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC001176927667 1035336649 /nfs/dbraw/zinc/33/66/49/1035336649.db2.gz VOUZNCBTHBGTAJ-MSOLQXFVSA-N 1 1 303.833 3.725 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001176927316 1035336802 /nfs/dbraw/zinc/33/68/02/1035336802.db2.gz QTWFWACLTUCANY-SJORKVTESA-N 1 1 304.821 3.745 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001176927316 1035336804 /nfs/dbraw/zinc/33/68/04/1035336804.db2.gz QTWFWACLTUCANY-SJORKVTESA-N 1 1 304.821 3.745 20 30 DHEDMO C=C(CC)C[N@H+]1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001177023060 1035344736 /nfs/dbraw/zinc/34/47/36/1035344736.db2.gz ZLTTTWSNSKSOSC-APWZRJJASA-N 1 1 322.493 3.970 20 30 DHEDMO CCOc1cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)ccc1OC ZINC001204184700 1035348171 /nfs/dbraw/zinc/34/81/71/1035348171.db2.gz MQTGQFJFSNAHMA-UHFFFAOYSA-N 1 1 322.408 3.524 20 30 DHEDMO CCOc1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)ccc1OC ZINC001204184700 1035348177 /nfs/dbraw/zinc/34/81/77/1035348177.db2.gz MQTGQFJFSNAHMA-UHFFFAOYSA-N 1 1 322.408 3.524 20 30 DHEDMO C=C1CCC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001177326481 1035363855 /nfs/dbraw/zinc/36/38/55/1035363855.db2.gz GKFWYGYFLHCYSL-QGZVFWFLSA-N 1 1 304.478 3.504 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2ccc(OC(F)F)cc2)no1 ZINC000904523183 1035421602 /nfs/dbraw/zinc/42/16/02/1035421602.db2.gz FTQLZJBSTVDLTD-ZDUSSCGKSA-N 1 1 323.343 3.618 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2ccccc2OC(F)F)no1 ZINC000904546987 1035424665 /nfs/dbraw/zinc/42/46/65/1035424665.db2.gz YTGBWMRVHCJHRQ-GFCCVEGCSA-N 1 1 323.343 3.618 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2cccc(F)c2Cl)no1 ZINC000904612412 1035436097 /nfs/dbraw/zinc/43/60/97/1035436097.db2.gz CHAZOANVDGMFNR-LBPRGKRZSA-N 1 1 309.772 3.809 20 30 DHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2ccc(=O)[nH]c2)no1 ZINC000904683102 1035441009 /nfs/dbraw/zinc/44/10/09/1035441009.db2.gz JATZOGHHLHMLAT-CYBMUJFWSA-N 1 1 304.394 3.588 20 30 DHEDMO CCCCCCCC[C@H]([NH3+])c1nc([C@H]2CCOC[C@@H]2C)no1 ZINC000904713772 1035446875 /nfs/dbraw/zinc/44/68/75/1035446875.db2.gz XTQRMCYBKGNOKZ-KKUMJFAQSA-N 1 1 309.454 3.960 20 30 DHEDMO C=CC[N@H+](Cc1nc2cc(Br)ccc2[nH]1)C(C)C ZINC000775571268 1035566871 /nfs/dbraw/zinc/56/68/71/1035566871.db2.gz DJWFIGZHQLWLGL-UHFFFAOYSA-N 1 1 308.223 3.722 20 30 DHEDMO C=CC[N@@H+](Cc1nc2cc(Br)ccc2[nH]1)C(C)C ZINC000775571268 1035566879 /nfs/dbraw/zinc/56/68/79/1035566879.db2.gz DJWFIGZHQLWLGL-UHFFFAOYSA-N 1 1 308.223 3.722 20 30 DHEDMO C=CC[N@H+](Cc1nc2ccc(Br)cc2[nH]1)C(C)C ZINC000775571268 1035566896 /nfs/dbraw/zinc/56/68/96/1035566896.db2.gz DJWFIGZHQLWLGL-UHFFFAOYSA-N 1 1 308.223 3.722 20 30 DHEDMO C=CC[N@@H+](Cc1nc2ccc(Br)cc2[nH]1)C(C)C ZINC000775571268 1035566903 /nfs/dbraw/zinc/56/69/03/1035566903.db2.gz DJWFIGZHQLWLGL-UHFFFAOYSA-N 1 1 308.223 3.722 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1cc(C#N)ccc1N(C)C ZINC001180030507 1035570360 /nfs/dbraw/zinc/57/03/60/1035570360.db2.gz NSHMUNHJNGSRHO-UHFFFAOYSA-N 1 1 312.461 3.776 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cc(C#N)ccc1N(C)C ZINC001180030507 1035570370 /nfs/dbraw/zinc/57/03/70/1035570370.db2.gz NSHMUNHJNGSRHO-UHFFFAOYSA-N 1 1 312.461 3.776 20 30 DHEDMO C[C@H]([NH2+]Cc1cnns1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC001193293775 1035602361 /nfs/dbraw/zinc/60/23/61/1035602361.db2.gz RPORZLGBMFCZBH-ZDUSSCGKSA-N 1 1 320.421 3.928 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000190659408 1035626355 /nfs/dbraw/zinc/62/63/55/1035626355.db2.gz FOOZDUBGUPRFMO-IBGZPJMESA-N 1 1 302.462 3.745 20 30 DHEDMO CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001193562534 1035665984 /nfs/dbraw/zinc/66/59/84/1035665984.db2.gz BGOVIFJNEWMNCK-NRFANRHFSA-N 1 1 320.436 3.962 20 30 DHEDMO CC[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)[C@H]1C ZINC001193607060 1035674688 /nfs/dbraw/zinc/67/46/88/1035674688.db2.gz SIQPZVINGCTIDM-RYUDHWBXSA-N 1 1 307.235 3.941 20 30 DHEDMO CC[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)[C@H]1C ZINC001193607060 1035674693 /nfs/dbraw/zinc/67/46/93/1035674693.db2.gz SIQPZVINGCTIDM-RYUDHWBXSA-N 1 1 307.235 3.941 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000539440422 1035730568 /nfs/dbraw/zinc/73/05/68/1035730568.db2.gz JMXWSHABOBREAO-IEBWSBKVSA-N 1 1 314.473 3.760 20 30 DHEDMO N#CC1(CN2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC000539450869 1035734996 /nfs/dbraw/zinc/73/49/96/1035734996.db2.gz XPEMDQNMAKJVIA-UHFFFAOYSA-N 1 1 323.484 3.811 20 30 DHEDMO CCN(CC)[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)CC(C)C ZINC000539499936 1035753378 /nfs/dbraw/zinc/75/33/78/1035753378.db2.gz TUASUVLGSGLAJG-LPHOPBHVSA-N 1 1 301.478 3.965 20 30 DHEDMO C=CC[N@@H+](C)Cc1cc(OC)c(OC[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000494657810 1035762544 /nfs/dbraw/zinc/76/25/44/1035762544.db2.gz VJHIVXXPGYQCGJ-ZDUSSCGKSA-N 1 1 322.405 3.646 20 30 DHEDMO C=CC[N@H+](C)Cc1cc(OC)c(OC[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000494657810 1035762552 /nfs/dbraw/zinc/76/25/52/1035762552.db2.gz VJHIVXXPGYQCGJ-ZDUSSCGKSA-N 1 1 322.405 3.646 20 30 DHEDMO C=CC[C@@H]1[N@@H+](CC(=O)NCc2cccc(C)c2)CCCC1(C)C ZINC001193920537 1035772081 /nfs/dbraw/zinc/77/20/81/1035772081.db2.gz OLYPXZYFKWMSSX-SFHVURJKSA-N 1 1 314.473 3.678 20 30 DHEDMO CCCCCCC[C@@H](C)C(=O)N1CCc2[nH]c(C)[nH+]c2CC1 ZINC001181112320 1035834256 /nfs/dbraw/zinc/83/42/56/1035834256.db2.gz NZEOXIXEZDXHNL-CQSZACIVSA-N 1 1 305.466 3.642 20 30 DHEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000539826963 1035884974 /nfs/dbraw/zinc/88/49/74/1035884974.db2.gz MPYUUBBMBKCHFA-WBVHZDCISA-N 1 1 316.445 3.998 20 30 DHEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000539826962 1035886592 /nfs/dbraw/zinc/88/65/92/1035886592.db2.gz MPYUUBBMBKCHFA-RDJZCZTQSA-N 1 1 316.445 3.998 20 30 DHEDMO C=CCOC(=O)Nc1cccc2c1C[N@@H+](C)C[C@H]2c1ccccc1 ZINC001194319747 1035899505 /nfs/dbraw/zinc/89/95/05/1035899505.db2.gz BQLFTJKCTABPRP-KRWDZBQOSA-N 1 1 322.408 3.998 20 30 DHEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000539851706 1035903970 /nfs/dbraw/zinc/90/39/70/1035903970.db2.gz ZQHOMGGEQXGICJ-SFHVURJKSA-N 1 1 300.377 3.989 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cc2ccc(F)cc2[nH]c1=O ZINC001181638779 1035948885 /nfs/dbraw/zinc/94/88/85/1035948885.db2.gz VSICJZWVDCNAIK-UHFFFAOYSA-N 1 1 320.367 3.715 20 30 DHEDMO C=CC[N@H+](CC(=O)N[C@H](c1ccccc1)C1CCCC1)C1CC1 ZINC000540056965 1035961213 /nfs/dbraw/zinc/96/12/13/1035961213.db2.gz XEOIQVKTLLFKAN-HXUWFJFHSA-N 1 1 312.457 3.685 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CCCC1)C1CC1 ZINC000540056965 1035961218 /nfs/dbraw/zinc/96/12/18/1035961218.db2.gz XEOIQVKTLLFKAN-HXUWFJFHSA-N 1 1 312.457 3.685 20 30 DHEDMO C=C(C)C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(CO)o1 ZINC001181697333 1035975822 /nfs/dbraw/zinc/97/58/22/1035975822.db2.gz ILKSGKBTGCCQMJ-UHFFFAOYSA-N 1 1 303.377 3.532 20 30 DHEDMO CCC[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000540349663 1036044780 /nfs/dbraw/zinc/04/47/80/1036044780.db2.gz FRBOQSAQQWPPJG-JQHSSLGASA-N 1 1 316.420 3.723 20 30 DHEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC001195093096 1036132984 /nfs/dbraw/zinc/13/29/84/1036132984.db2.gz HIGXWNNWGUHEHY-KRWDZBQOSA-N 1 1 305.874 3.911 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@]2(CCSC2)C1 ZINC001195093096 1036132994 /nfs/dbraw/zinc/13/29/94/1036132994.db2.gz HIGXWNNWGUHEHY-KRWDZBQOSA-N 1 1 305.874 3.911 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H](C(C)C)CC2)c1=S ZINC000153280800 1036195841 /nfs/dbraw/zinc/19/58/41/1036195841.db2.gz FKDIBCADVJJVQD-HNNXBMFYSA-N 1 1 308.495 3.624 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H](C(C)C)CC2)c1=S ZINC000153280800 1036195846 /nfs/dbraw/zinc/19/58/46/1036195846.db2.gz FKDIBCADVJJVQD-HNNXBMFYSA-N 1 1 308.495 3.624 20 30 DHEDMO N#Cc1ccc(Br)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000595566238 1036238077 /nfs/dbraw/zinc/23/80/77/1036238077.db2.gz GSEWJEMOOUXXCO-WFASDCNBSA-N 1 1 305.219 3.695 20 30 DHEDMO N#Cc1ccc(Br)c(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000595566238 1036238096 /nfs/dbraw/zinc/23/80/96/1036238096.db2.gz GSEWJEMOOUXXCO-WFASDCNBSA-N 1 1 305.219 3.695 20 30 DHEDMO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000775661709 1036278738 /nfs/dbraw/zinc/27/87/38/1036278738.db2.gz DDUMUZKFPUIBIN-HRCADAONSA-N 1 1 308.466 3.578 20 30 DHEDMO C[C@H](NCc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272219321 1036295340 /nfs/dbraw/zinc/29/53/40/1036295340.db2.gz RPYKOEZJIVIXCF-LAUBAEHRSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@H](NCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272219321 1036295364 /nfs/dbraw/zinc/29/53/64/1036295364.db2.gz RPYKOEZJIVIXCF-LAUBAEHRSA-N 1 1 319.452 3.558 20 30 DHEDMO CCC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000541348497 1036307507 /nfs/dbraw/zinc/30/75/07/1036307507.db2.gz PCVWNWQKLKBLLG-OTWHNJEPSA-N 1 1 312.457 3.778 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000495185335 1036324759 /nfs/dbraw/zinc/32/47/59/1036324759.db2.gz VDFTXGFSGRBCES-UHFFFAOYSA-N 1 1 307.397 3.900 20 30 DHEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)[C@H](C)Cc1ccsc1 ZINC000495199413 1036336102 /nfs/dbraw/zinc/33/61/02/1036336102.db2.gz COTJVNCEHRSSLC-OAHLLOKOSA-N 1 1 314.454 3.952 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2cn3ccccc3c2C#N)Cc2ccccc21 ZINC000914787829 1036338029 /nfs/dbraw/zinc/33/80/29/1036338029.db2.gz WOHFAJVRACBHCS-OAHLLOKOSA-N 1 1 301.393 3.930 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)Cc2ccccc21 ZINC000914787829 1036338048 /nfs/dbraw/zinc/33/80/48/1036338048.db2.gz WOHFAJVRACBHCS-OAHLLOKOSA-N 1 1 301.393 3.930 20 30 DHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)c1 ZINC000609133233 1036405692 /nfs/dbraw/zinc/40/56/92/1036405692.db2.gz YEXSUNJYYFSPMA-IBGZPJMESA-N 1 1 324.399 3.913 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000774541367 1036446118 /nfs/dbraw/zinc/44/61/18/1036446118.db2.gz NKCKKPJFJPNQFK-QGZVFWFLSA-N 1 1 302.462 3.952 20 30 DHEDMO CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccccc1-c1ccc(C#N)cc1 ZINC001182861663 1036471043 /nfs/dbraw/zinc/47/10/43/1036471043.db2.gz DHBBYLKHTIRQPV-IBGZPJMESA-N 1 1 319.408 3.646 20 30 DHEDMO CC(C)[N@H+]1CC[C@H]1C(=O)Nc1ccccc1-c1ccc(C#N)cc1 ZINC001182861663 1036471051 /nfs/dbraw/zinc/47/10/51/1036471051.db2.gz DHBBYLKHTIRQPV-IBGZPJMESA-N 1 1 319.408 3.646 20 30 DHEDMO N#CCC1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000541951650 1036471404 /nfs/dbraw/zinc/47/14/04/1036471404.db2.gz GMTFAIJWZLRBDT-UHFFFAOYSA-N 1 1 316.792 3.516 20 30 DHEDMO N#Cc1cccc([C@H](O)C[N@H+](Cc2ccccc2F)CC2CC2)c1 ZINC001196238842 1036489128 /nfs/dbraw/zinc/48/91/28/1036489128.db2.gz WBACZLPUKNUFOH-HXUWFJFHSA-N 1 1 324.399 3.643 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)C1 ZINC001196440756 1036525190 /nfs/dbraw/zinc/52/51/90/1036525190.db2.gz HATULOFLDYRCDT-CYBMUJFWSA-N 1 1 303.356 3.549 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCCNc1nc2ncccc2cc1C#N ZINC000596076885 1036531163 /nfs/dbraw/zinc/53/11/63/1036531163.db2.gz REIBAKOPNBUURH-HNNXBMFYSA-N 1 1 323.444 3.568 20 30 DHEDMO C#CC[N@H+](Cc1cnc(-c2ccccc2OC)nc1)C1CCCC1 ZINC000491339684 1036539991 /nfs/dbraw/zinc/53/99/91/1036539991.db2.gz RQMWHCJZDRQLAX-UHFFFAOYSA-N 1 1 321.424 3.530 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1ccnc(N(C)C)c1)c1ccc(F)c(F)c1 ZINC000775723872 1036556977 /nfs/dbraw/zinc/55/69/77/1036556977.db2.gz OIBLEVNPRGCVQF-SFHVURJKSA-N 1 1 317.383 3.833 20 30 DHEDMO CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)CC1CCC(C#N)CC1 ZINC000929748954 1036588395 /nfs/dbraw/zinc/58/83/95/1036588395.db2.gz LWUWUALCCKZPDG-FAFZWHIHSA-N 1 1 300.446 3.680 20 30 DHEDMO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nnc2n1CCCCC2 ZINC000271888317 1036620403 /nfs/dbraw/zinc/62/04/03/1036620403.db2.gz RGEKYKHIAHPNCU-PBHICJAKSA-N 1 1 323.444 3.678 20 30 DHEDMO Cc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC001196832888 1036623879 /nfs/dbraw/zinc/62/38/79/1036623879.db2.gz ONJQWBDIZAGCMT-DOMZBBRYSA-N 1 1 307.235 3.882 20 30 DHEDMO Cc1cc(Br)ccc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC001196832888 1036623900 /nfs/dbraw/zinc/62/39/00/1036623900.db2.gz ONJQWBDIZAGCMT-DOMZBBRYSA-N 1 1 307.235 3.882 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(OCC)c1)c1ccc(F)cc1 ZINC000491691968 1036628284 /nfs/dbraw/zinc/62/82/84/1036628284.db2.gz GNXSGQUXBVMWLO-QGZVFWFLSA-N 1 1 313.372 3.697 20 30 DHEDMO C#C[C@H](C)N(C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000491735947 1036629617 /nfs/dbraw/zinc/62/96/17/1036629617.db2.gz QKYMWFFXNJTSEP-HNNXBMFYSA-N 1 1 324.428 3.540 20 30 DHEDMO C=CCCC[N@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001196934750 1036644856 /nfs/dbraw/zinc/64/48/56/1036644856.db2.gz CJTMTWHVYDTWRY-AWEZNQCLSA-N 1 1 318.244 3.631 20 30 DHEDMO C[N@@H+](CCCC(C)(C)C#N)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000495518274 1036696943 /nfs/dbraw/zinc/69/69/43/1036696943.db2.gz XZFCMUJFOCWVMK-OAHLLOKOSA-N 1 1 323.481 3.551 20 30 DHEDMO C=C(C)[C@H](CO)[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000669943203 1036728366 /nfs/dbraw/zinc/72/83/66/1036728366.db2.gz MWJDWBHJTAZSJQ-LSDHHAIUSA-N 1 1 317.326 3.513 20 30 DHEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000669943203 1036728387 /nfs/dbraw/zinc/72/83/87/1036728387.db2.gz MWJDWBHJTAZSJQ-LSDHHAIUSA-N 1 1 317.326 3.513 20 30 DHEDMO CC(C)(C)OC[C@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001197631033 1036837271 /nfs/dbraw/zinc/83/72/71/1036837271.db2.gz WVCGKHMGLIWPRR-QGZVFWFLSA-N 1 1 305.849 3.971 20 30 DHEDMO C=CCCn1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2(C)C)nn1 ZINC000653769119 1036906737 /nfs/dbraw/zinc/90/67/37/1036906737.db2.gz WTGIMMMQITUQLB-SFHVURJKSA-N 1 1 310.445 3.622 20 30 DHEDMO Cc1cc(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)ccc1C#N ZINC000488290569 1036957364 /nfs/dbraw/zinc/95/73/64/1036957364.db2.gz CFIDOJYRLNHKBC-OAQYLSRUSA-N 1 1 320.436 3.700 20 30 DHEDMO Cc1cc(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)ccc1C#N ZINC000488290569 1036957382 /nfs/dbraw/zinc/95/73/82/1036957382.db2.gz CFIDOJYRLNHKBC-OAQYLSRUSA-N 1 1 320.436 3.700 20 30 DHEDMO CCCC[N@H+]1CCCC[C@H]1CNc1nc(C)c(C#N)cc1Cl ZINC001185099273 1037027582 /nfs/dbraw/zinc/02/75/82/1037027582.db2.gz ZSBGWUMODSTADK-HNNXBMFYSA-N 1 1 320.868 3.982 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC001198489568 1037035696 /nfs/dbraw/zinc/03/56/96/1037035696.db2.gz BZOAHPXQOBAIQD-HOTGVXAUSA-N 1 1 306.837 3.558 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC001198489570 1037037692 /nfs/dbraw/zinc/03/76/92/1037037692.db2.gz BZOAHPXQOBAIQD-JKSUJKDBSA-N 1 1 306.837 3.558 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774906193 1037199383 /nfs/dbraw/zinc/19/93/83/1037199383.db2.gz WJEKAOXDABUBCV-UHFFFAOYSA-N 1 1 307.350 3.681 20 30 DHEDMO C=CCN(CC=C)[C@H](C[NH2+]Cc1cccc(O)c1Cl)C(C)C ZINC001199198347 1037215376 /nfs/dbraw/zinc/21/53/76/1037215376.db2.gz OWMKJZOOWQUXKK-MRXNPFEDSA-N 1 1 322.880 3.834 20 30 DHEDMO C[C@H](C#N)c1ccc(NC(=O)c2c[nH+]ccc2N2CCCC2)cc1 ZINC001199369454 1037252034 /nfs/dbraw/zinc/25/20/34/1037252034.db2.gz IGSPSWSIGCEVFR-CQSZACIVSA-N 1 1 320.396 3.561 20 30 DHEDMO Cc1cc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1C#N ZINC001185949572 1037269412 /nfs/dbraw/zinc/26/94/12/1037269412.db2.gz RIYSGXICSYKKCQ-WMZOPIPTSA-N 1 1 320.440 3.584 20 30 DHEDMO CC[C@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000178092013 1037293761 /nfs/dbraw/zinc/29/37/61/1037293761.db2.gz YKLYODABIABXQT-AWEZNQCLSA-N 1 1 321.852 3.625 20 30 DHEDMO Cc1cc(C#N)cc(C)c1CNC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001199638961 1037294661 /nfs/dbraw/zinc/29/46/61/1037294661.db2.gz IRQHIQVIPMPSKG-FOIQADDNSA-N 1 1 313.489 3.775 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174818236 1037378979 /nfs/dbraw/zinc/37/89/79/1037378979.db2.gz RZZUAYBFPMGBDV-UHFFFAOYSA-N 1 1 315.760 3.752 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174818236 1037378997 /nfs/dbraw/zinc/37/89/97/1037378997.db2.gz RZZUAYBFPMGBDV-UHFFFAOYSA-N 1 1 315.760 3.752 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000489462543 1037457354 /nfs/dbraw/zinc/45/73/54/1037457354.db2.gz KWIPXOBAWKXSLN-GFCCVEGCSA-N 1 1 320.234 3.866 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000489462543 1037457358 /nfs/dbraw/zinc/45/73/58/1037457358.db2.gz KWIPXOBAWKXSLN-GFCCVEGCSA-N 1 1 320.234 3.866 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000489483051 1037461798 /nfs/dbraw/zinc/46/17/98/1037461798.db2.gz VQCORJDPKIBMSO-ZDUSSCGKSA-N 1 1 310.800 3.848 20 30 DHEDMO COc1c(C)cc(C[N@H+](C)Cc2ccc(F)cc2C#N)cc1C ZINC000489580123 1037485221 /nfs/dbraw/zinc/48/52/21/1037485221.db2.gz UTWBQRFONUHJNI-UHFFFAOYSA-N 1 1 312.388 3.955 20 30 DHEDMO COc1c(C)cc(C[N@@H+](C)Cc2ccc(F)cc2C#N)cc1C ZINC000489580123 1037485229 /nfs/dbraw/zinc/48/52/29/1037485229.db2.gz UTWBQRFONUHJNI-UHFFFAOYSA-N 1 1 312.388 3.955 20 30 DHEDMO C=C(CC)C[N@@H+](CCOC)Cc1cc(Br)cs1 ZINC000494098616 1037638619 /nfs/dbraw/zinc/63/86/19/1037638619.db2.gz OJKQXLQXDDGYFL-UHFFFAOYSA-N 1 1 318.280 3.925 20 30 DHEDMO C[C@@H]([N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C ZINC000027133557 1037646596 /nfs/dbraw/zinc/64/65/96/1037646596.db2.gz ZDQNMOLSLAAPOP-LLVKDONJSA-N 1 1 307.825 3.517 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000490321356 1037670343 /nfs/dbraw/zinc/67/03/43/1037670343.db2.gz UVSKELSWULAQFI-YZLZLFLDSA-N 1 1 311.473 3.956 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](C/C(Br)=C/c2ccccc2)C1 ZINC001201460579 1037685364 /nfs/dbraw/zinc/68/53/64/1037685364.db2.gz RTGXKBSPOOQSHB-VQCBNXJZSA-N 1 1 304.231 3.768 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](C/C(Br)=C/c2ccccc2)C1 ZINC001201460579 1037685376 /nfs/dbraw/zinc/68/53/76/1037685376.db2.gz RTGXKBSPOOQSHB-VQCBNXJZSA-N 1 1 304.231 3.768 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000775135553 1037685696 /nfs/dbraw/zinc/68/56/96/1037685696.db2.gz GVMLGXSHYDLTSK-TZMCWYRMSA-N 1 1 312.335 3.752 20 30 DHEDMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000490354346 1037691747 /nfs/dbraw/zinc/69/17/47/1037691747.db2.gz KURJBHTWXQZXSY-HOTGVXAUSA-N 1 1 322.456 3.969 20 30 DHEDMO CCN(CCO)c1ccc(C=[NH+]Nc2ccc(C)cc2)c(C)c1 ZINC000916250683 1037725134 /nfs/dbraw/zinc/72/51/34/1037725134.db2.gz UHQTUYIUCHSKNQ-UHFFFAOYSA-N 1 1 311.429 3.568 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000490522828 1037727194 /nfs/dbraw/zinc/72/71/94/1037727194.db2.gz VYFWKPHWVCFRNS-YLJYHZDGSA-N 1 1 314.473 3.760 20 30 DHEDMO CC[N@H+](Cc1ccc(Cl)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763396829 1037817670 /nfs/dbraw/zinc/81/76/70/1037817670.db2.gz HXKKMWDQYDLVMV-SFHVURJKSA-N 1 1 314.816 3.767 20 30 DHEDMO CC[C@H](C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000387379580 1037827341 /nfs/dbraw/zinc/82/73/41/1037827341.db2.gz NDZBRQITISJSLL-INIZCTEOSA-N 1 1 321.424 3.797 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2Cc2ccccc2)cc1 ZINC000763410084 1037829888 /nfs/dbraw/zinc/82/98/88/1037829888.db2.gz YLIONOWSNZECIW-SFTDATJTSA-N 1 1 320.436 3.689 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000185750265 1037833750 /nfs/dbraw/zinc/83/37/50/1037833750.db2.gz MNZKCCYMQPDVGQ-IAGOWNOFSA-N 1 1 302.462 3.616 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000185728495 1037834434 /nfs/dbraw/zinc/83/44/34/1037834434.db2.gz OVIGNLJUPBLVOD-ROUUACIJSA-N 1 1 314.473 3.712 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2nn(CC3CC3)cc2[C@@H](COC)C1 ZINC001201762865 1037883776 /nfs/dbraw/zinc/88/37/76/1037883776.db2.gz YACWNPFARADDDK-QGZVFWFLSA-N 1 1 319.493 3.809 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2nn(CC)cc2[C@@H](COCC)C1 ZINC001201762891 1037884590 /nfs/dbraw/zinc/88/45/90/1037884590.db2.gz YNEZCYLPCIBBLN-MRXNPFEDSA-N 1 1 307.482 3.809 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@](F)(CNC(=O)OC(C)(C)C)C1 ZINC001201797659 1037897610 /nfs/dbraw/zinc/89/76/10/1037897610.db2.gz BLWXWJOLZNLEGW-KRWDZBQOSA-N 1 1 316.461 3.896 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001201813461 1037901685 /nfs/dbraw/zinc/90/16/85/1037901685.db2.gz DOHGUMDNVIHECG-ROUUACIJSA-N 1 1 308.510 3.926 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001201777308 1037904686 /nfs/dbraw/zinc/90/46/86/1037904686.db2.gz VRIJSEDEZKGTJY-GOSISDBHSA-N 1 1 319.493 3.712 20 30 DHEDMO CCCCCCCCCC[N@@H+]1Cc2nnn(C)c2[C@H](COC)C1 ZINC001201852881 1037908929 /nfs/dbraw/zinc/90/89/29/1037908929.db2.gz QLXHFBCEVHXSCD-INIZCTEOSA-N 1 1 322.497 3.501 20 30 DHEDMO CCCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 ZINC001201825731 1037911485 /nfs/dbraw/zinc/91/14/85/1037911485.db2.gz FBLGJXYAZNBAJK-DLBZAZTESA-N 1 1 318.461 3.786 20 30 DHEDMO CC[N@H+](CCOc1ccccc1C(F)(F)F)C[C@H](C)C#N ZINC000124854815 1037913071 /nfs/dbraw/zinc/91/30/71/1037913071.db2.gz YESXZHBPDGFXNL-GFCCVEGCSA-N 1 1 300.324 3.566 20 30 DHEDMO CC[N@@H+](CCOc1ccccc1C(F)(F)F)C[C@H](C)C#N ZINC000124854815 1037913082 /nfs/dbraw/zinc/91/30/82/1037913082.db2.gz YESXZHBPDGFXNL-GFCCVEGCSA-N 1 1 300.324 3.566 20 30 DHEDMO CCCCCCCCC[N@H+]1CCn2cnc(COCC)c2C1 ZINC001201847671 1037920656 /nfs/dbraw/zinc/92/06/56/1037920656.db2.gz YJEZPKAPHJRLBY-UHFFFAOYSA-N 1 1 307.482 3.986 20 30 DHEDMO COc1ccc(C[C@H](C)C[N@@H+](CCC#N)CC2CC2)cc1F ZINC000186690148 1037924680 /nfs/dbraw/zinc/92/46/80/1037924680.db2.gz PPPFTRKZWQFDBR-AWEZNQCLSA-N 1 1 304.409 3.639 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000775183538 1037947230 /nfs/dbraw/zinc/94/72/30/1037947230.db2.gz NVKIPJMNASMPNV-INIZCTEOSA-N 1 1 304.393 3.591 20 30 DHEDMO C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000586780144 1037963964 /nfs/dbraw/zinc/96/39/64/1037963964.db2.gz DORZMDKKBMCTIP-APWZRJJASA-N 1 1 311.473 3.546 20 30 DHEDMO C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000586780144 1037963970 /nfs/dbraw/zinc/96/39/70/1037963970.db2.gz DORZMDKKBMCTIP-APWZRJJASA-N 1 1 311.473 3.546 20 30 DHEDMO CC(C)C[N@H+](CCC#N)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000916970122 1038101262 /nfs/dbraw/zinc/10/12/62/1038101262.db2.gz LUWSHQBERBIKSH-OAHLLOKOSA-N 1 1 314.351 3.610 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000916970122 1038101268 /nfs/dbraw/zinc/10/12/68/1038101268.db2.gz LUWSHQBERBIKSH-OAHLLOKOSA-N 1 1 314.351 3.610 20 30 DHEDMO CC[C@@H](C)[N@@H+](CC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000595593162 1038107613 /nfs/dbraw/zinc/10/76/13/1038107613.db2.gz OLOWQMSEHXJMEM-MRXNPFEDSA-N 1 1 315.461 3.671 20 30 DHEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1 ZINC000917052411 1038131427 /nfs/dbraw/zinc/13/14/27/1038131427.db2.gz SEPVHQNUMCMNEI-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO N#CCCC1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000571638069 1038174812 /nfs/dbraw/zinc/17/48/12/1038174812.db2.gz HLYBDQKFWGMWQD-UHFFFAOYSA-N 1 1 301.415 3.919 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(C#N)c2)cc1F ZINC001190319588 1038292036 /nfs/dbraw/zinc/29/20/36/1038292036.db2.gz WQPRVSKJAFNFBK-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC001190550485 1038343492 /nfs/dbraw/zinc/34/34/92/1038343492.db2.gz KNPYHAMSQFDEKP-GUDVDZBRSA-N 1 1 310.526 3.921 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnc(OC)c(Cl)c1 ZINC001190707494 1038366836 /nfs/dbraw/zinc/36/68/36/1038366836.db2.gz IYFQAXWRENJKDK-UHFFFAOYSA-N 1 1 316.832 3.974 20 30 DHEDMO CCCCCCCCNC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001191081213 1038435327 /nfs/dbraw/zinc/43/53/27/1038435327.db2.gz IYPUQKIJYCVNHC-SJORKVTESA-N 1 1 311.514 3.765 20 30 DHEDMO CCCCCCCNC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001191118530 1038443703 /nfs/dbraw/zinc/44/37/03/1038443703.db2.gz KTBPQLOGGOUMHS-GOSISDBHSA-N 1 1 317.477 3.531 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc2occc2c1 ZINC000589210636 1038451642 /nfs/dbraw/zinc/45/16/42/1038451642.db2.gz VNOYAYRZCMVFDH-UHFFFAOYSA-N 1 1 320.392 3.953 20 30 DHEDMO Cc1ccc([C@@H]2CCCC[N@H+]2C[C@H](O)CC2(C#N)CCC2)cc1 ZINC001191193506 1038458702 /nfs/dbraw/zinc/45/87/02/1038458702.db2.gz MRFCTYUQDKQINM-MOPGFXCFSA-N 1 1 312.457 3.967 20 30 DHEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCCO1 ZINC000589502493 1038488453 /nfs/dbraw/zinc/48/84/53/1038488453.db2.gz XWJGATZGDUTNMH-UHFFFAOYSA-N 1 1 312.335 3.578 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCCO1 ZINC000589502493 1038488457 /nfs/dbraw/zinc/48/84/57/1038488457.db2.gz XWJGATZGDUTNMH-UHFFFAOYSA-N 1 1 312.335 3.578 20 30 DHEDMO Cc1ccc(F)cc1NC(=O)CC[N@H+](CCC#N)CCC(C)C ZINC001191367542 1038497258 /nfs/dbraw/zinc/49/72/58/1038497258.db2.gz OTOVZEGQFNYHHU-UHFFFAOYSA-N 1 1 319.424 3.725 20 30 DHEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCc1ccc(C#N)cc1 ZINC001191743956 1038541535 /nfs/dbraw/zinc/54/15/35/1038541535.db2.gz XJXSBRNGWRHNFE-ROUUACIJSA-N 1 1 300.446 3.626 20 30 DHEDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CCCCCC#N)c1 ZINC000589836876 1038544073 /nfs/dbraw/zinc/54/40/73/1038544073.db2.gz ATUSQCSCGGNTRL-UHFFFAOYSA-N 1 1 315.461 3.617 20 30 DHEDMO N#C[C@@H]1CC[C@H]([NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000590155856 1038594217 /nfs/dbraw/zinc/59/42/17/1038594217.db2.gz KMZRVUMMJPXYDX-RCWTZXSCSA-N 1 1 314.273 3.741 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(F)c(Br)c1 ZINC000590192677 1038604449 /nfs/dbraw/zinc/60/44/49/1038604449.db2.gz YEJLDZQHLFZOCZ-SECBINFHSA-N 1 1 323.165 3.904 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c(C(F)(F)F)c1 ZINC001192392368 1038650284 /nfs/dbraw/zinc/65/02/84/1038650284.db2.gz XZCKUJLFVAQADZ-YPMHNXCESA-N 1 1 316.273 3.664 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c(C(F)(F)F)c1 ZINC001192392368 1038650291 /nfs/dbraw/zinc/65/02/91/1038650291.db2.gz XZCKUJLFVAQADZ-YPMHNXCESA-N 1 1 316.273 3.664 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1C1CC1 ZINC000590788944 1038705750 /nfs/dbraw/zinc/70/57/50/1038705750.db2.gz MXBTVOWNKMZQNJ-INIZCTEOSA-N 1 1 316.470 3.778 20 30 DHEDMO Cc1nccc([C@H]2CCC[N@@H+](CCC3(C#N)CCCCC3)C2)n1 ZINC000591011539 1038743315 /nfs/dbraw/zinc/74/33/15/1038743315.db2.gz DPHZUHKYXJXTFN-KRWDZBQOSA-N 1 1 312.461 3.829 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1F ZINC000598626449 1038803541 /nfs/dbraw/zinc/80/35/41/1038803541.db2.gz WMLACTJCMKPDJB-APWZRJJASA-N 1 1 318.436 3.523 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591582335 1038939728 /nfs/dbraw/zinc/93/97/28/1038939728.db2.gz ISPXQQYWOJOXPU-MJGOQNOKSA-N 1 1 309.457 3.590 20 30 DHEDMO C#CCC[N@H+]1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000760884693 1038959059 /nfs/dbraw/zinc/95/90/59/1038959059.db2.gz DEQXTLBOKRDLLJ-MRXNPFEDSA-N 1 1 315.461 3.785 20 30 DHEDMO C=C(Br)C[N@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC001168414888 1039081641 /nfs/dbraw/zinc/08/16/41/1039081641.db2.gz UXZAPQHIORAQQZ-MRXNPFEDSA-N 1 1 323.278 3.804 20 30 DHEDMO C=C(Br)C[N@@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC001168414888 1039081658 /nfs/dbraw/zinc/08/16/58/1039081658.db2.gz UXZAPQHIORAQQZ-MRXNPFEDSA-N 1 1 323.278 3.804 20 30 DHEDMO CC(C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000760921238 1039099434 /nfs/dbraw/zinc/09/94/34/1039099434.db2.gz QUQMMWRJQOYJED-HNNXBMFYSA-N 1 1 313.445 3.643 20 30 DHEDMO N#Cc1cnccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000592120303 1039119006 /nfs/dbraw/zinc/11/90/06/1039119006.db2.gz FGTBTDOENJJZHD-FNLKRUPLSA-N 1 1 303.409 3.864 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000592146479 1039140788 /nfs/dbraw/zinc/14/07/88/1039140788.db2.gz QYAMLJAJTQURQP-UHFFFAOYSA-N 1 1 321.424 3.683 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C)c(C#N)c2)o1 ZINC000599365691 1039141450 /nfs/dbraw/zinc/14/14/50/1039141450.db2.gz GJXLGGJYFCCBLT-SFHVURJKSA-N 1 1 310.397 3.943 20 30 DHEDMO CC(C)(C)OC(=O)C1(C)CC[NH+](Cc2ccccc2C#N)CC1 ZINC000592157533 1039157165 /nfs/dbraw/zinc/15/71/65/1039157165.db2.gz CQVIJRKVGWDXSL-UHFFFAOYSA-N 1 1 314.429 3.502 20 30 DHEDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000603867997 1039203619 /nfs/dbraw/zinc/20/36/19/1039203619.db2.gz IDSZKXWGBVOLRL-GOSISDBHSA-N 1 1 324.399 3.913 20 30 DHEDMO Cc1c2cccc(Cl)c2sc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592525513 1039225387 /nfs/dbraw/zinc/22/53/87/1039225387.db2.gz PCILYZXRBVDRRA-INIZCTEOSA-N 1 1 320.845 3.714 20 30 DHEDMO CC1(C)[C@H](c2cccc(F)c2)CC[N@H+]1Cc1ccncc1C#N ZINC000599629035 1039235826 /nfs/dbraw/zinc/23/58/26/1039235826.db2.gz FIQCYYUPHFDQHJ-SFHVURJKSA-N 1 1 309.388 3.860 20 30 DHEDMO N#CCSCCC[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000599637952 1039243202 /nfs/dbraw/zinc/24/32/02/1039243202.db2.gz YEUJYKFYPJBYTF-UHFFFAOYSA-N 1 1 314.376 3.710 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)cc1F ZINC000599675938 1039255171 /nfs/dbraw/zinc/25/51/71/1039255171.db2.gz AHQHTSJPAIQQTI-KRWDZBQOSA-N 1 1 310.372 3.695 20 30 DHEDMO COc1ccc([C@H](C)C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599678425 1039265930 /nfs/dbraw/zinc/26/59/30/1039265930.db2.gz QHJZSCDKMYRSKH-MRXNPFEDSA-N 1 1 320.436 3.923 20 30 DHEDMO CC1=C(c2ccco2)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000593030091 1039360891 /nfs/dbraw/zinc/36/08/91/1039360891.db2.gz GSMIJNFVGKWYPW-UHFFFAOYSA-N 1 1 323.352 3.739 20 30 DHEDMO N#CCSCCC[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593051184 1039378296 /nfs/dbraw/zinc/37/82/96/1039378296.db2.gz LMAPNWNKIZOVCN-UHFFFAOYSA-N 1 1 312.438 3.952 20 30 DHEDMO C=C(C)C[N@@H+](CC)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000046342235 1039428906 /nfs/dbraw/zinc/42/89/06/1039428906.db2.gz LGVZIYGXQOQCII-LBPRGKRZSA-N 1 1 318.244 3.631 20 30 DHEDMO C[C@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000592404021 1039448272 /nfs/dbraw/zinc/44/82/72/1039448272.db2.gz UTMZGFAFOLPTNI-DQLDELGASA-N 1 1 319.452 3.554 20 30 DHEDMO C[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000592404021 1039448283 /nfs/dbraw/zinc/44/82/83/1039448283.db2.gz UTMZGFAFOLPTNI-DQLDELGASA-N 1 1 319.452 3.554 20 30 DHEDMO C[C@H](NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000592404021 1039448290 /nfs/dbraw/zinc/44/82/90/1039448290.db2.gz UTMZGFAFOLPTNI-DQLDELGASA-N 1 1 319.452 3.554 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000604501398 1039487140 /nfs/dbraw/zinc/48/71/40/1039487140.db2.gz GYKJUPOHXRPYNS-SFHVURJKSA-N 1 1 322.408 3.609 20 30 DHEDMO COc1cc(C[NH2+]CC2(C#N)CCCC2)cc(Cl)c1OC ZINC000593649481 1039577326 /nfs/dbraw/zinc/57/73/26/1039577326.db2.gz IVXXONDDVJRIQH-UHFFFAOYSA-N 1 1 308.809 3.531 20 30 DHEDMO N#CC1(C[NH2+]Cc2ccc(Br)c(F)c2)CCCC1 ZINC000593652750 1039580242 /nfs/dbraw/zinc/58/02/42/1039580242.db2.gz JRHKOTGQRLUGGO-UHFFFAOYSA-N 1 1 311.198 3.762 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cn1)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000593952247 1039797114 /nfs/dbraw/zinc/79/71/14/1039797114.db2.gz UIEBJOMFAHNNQM-UYAOXDASSA-N 1 1 321.424 3.553 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000606451299 1039889870 /nfs/dbraw/zinc/88/98/70/1039889870.db2.gz ZUHSYTRZZJDGGU-GOSISDBHSA-N 1 1 322.383 3.792 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000606451299 1039889893 /nfs/dbraw/zinc/88/98/93/1039889893.db2.gz ZUHSYTRZZJDGGU-GOSISDBHSA-N 1 1 322.383 3.792 20 30 DHEDMO N#Cc1ccc(C2([NH2+]Cc3cc(-c4ccco4)on3)CCC2)cc1 ZINC000594032093 1039958615 /nfs/dbraw/zinc/95/86/15/1039958615.db2.gz CYTJHGNRXNSXDQ-UHFFFAOYSA-N 1 1 319.364 3.975 20 30 DHEDMO C=CCCSCC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000594959985 1039966540 /nfs/dbraw/zinc/96/65/40/1039966540.db2.gz HKIKMNHXJSYGCZ-UHFFFAOYSA-N 1 1 318.530 3.592 20 30 DHEDMO C=CCCCCCN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000606815945 1039986409 /nfs/dbraw/zinc/98/64/09/1039986409.db2.gz IIZZFBDVGWHAIM-IBGZPJMESA-N 1 1 314.473 3.856 20 30 DHEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2ccsc2)CCCCC1 ZINC000594981753 1039999571 /nfs/dbraw/zinc/99/95/71/1039999571.db2.gz UOEOUEWUYFERAK-UHFFFAOYSA-N 1 1 300.431 3.702 20 30 DHEDMO C=CCCSCC[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000595060536 1040026694 /nfs/dbraw/zinc/02/66/94/1040026694.db2.gz VBPKNUMVORHEIL-HNNXBMFYSA-N 1 1 305.422 3.537 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CC2(CCCCC2)O1 ZINC000594058219 1040031934 /nfs/dbraw/zinc/03/19/34/1040031934.db2.gz QFLSZJNZJFIMPA-CQSZACIVSA-N 1 1 302.393 3.621 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC2(CCCCC2)O1 ZINC000594058219 1040031948 /nfs/dbraw/zinc/03/19/48/1040031948.db2.gz QFLSZJNZJFIMPA-CQSZACIVSA-N 1 1 302.393 3.621 20 30 DHEDMO N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000595079994 1040073757 /nfs/dbraw/zinc/07/37/57/1040073757.db2.gz IMEXALZPHZGNHZ-XLIONFOSSA-N 1 1 309.457 3.542 20 30 DHEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(C3CCCCC3)C1)CC2 ZINC000595079994 1040073773 /nfs/dbraw/zinc/07/37/73/1040073773.db2.gz IMEXALZPHZGNHZ-XLIONFOSSA-N 1 1 309.457 3.542 20 30 DHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000595091453 1040075615 /nfs/dbraw/zinc/07/56/15/1040075615.db2.gz QTINDENTLPWQKZ-HNNXBMFYSA-N 1 1 314.429 3.973 20 30 DHEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000595090563 1040076444 /nfs/dbraw/zinc/07/64/44/1040076444.db2.gz IAFVPIWBZQJISZ-SZNDQCEHSA-N 1 1 304.459 3.549 20 30 DHEDMO CC(C)[N@@H+](CCc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000595297358 1040097332 /nfs/dbraw/zinc/09/73/32/1040097332.db2.gz SAKPPVLSOIBBLT-UHFFFAOYSA-N 1 1 303.409 3.883 20 30 DHEDMO C[N@@H+](CC1CC1)C[C@H]1CCN([C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000595330496 1040098760 /nfs/dbraw/zinc/09/87/60/1040098760.db2.gz CLSPKNIIOZTPFF-QAPCUYQASA-N 1 1 317.864 3.568 20 30 DHEDMO CCC[N@@H+](CCc1ccc(C#N)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000595330116 1040099891 /nfs/dbraw/zinc/09/98/91/1040099891.db2.gz JBAUEEULUDKHPB-GUDVDZBRSA-N 1 1 312.457 3.626 20 30 DHEDMO N#C[C@@H](c1ccc(Cl)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000595329405 1040100709 /nfs/dbraw/zinc/10/07/09/1040100709.db2.gz RPOYBEBRVYOXCD-SFHVURJKSA-N 1 1 317.864 3.855 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@H+]2CCc2ccc(C#N)cc2)o1 ZINC000595443441 1040133622 /nfs/dbraw/zinc/13/36/22/1040133622.db2.gz URLRFWACHBJASV-SFHVURJKSA-N 1 1 310.397 3.677 20 30 DHEDMO C=CCC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000595417135 1040134036 /nfs/dbraw/zinc/13/40/36/1040134036.db2.gz FPCWISDLICKLGQ-AWEZNQCLSA-N 1 1 301.346 3.688 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccsc2)c([N+](=O)[O-])c1 ZINC000592999189 1040134120 /nfs/dbraw/zinc/13/41/20/1040134120.db2.gz NAZXXZZUQCDAFP-HNNXBMFYSA-N 1 1 313.382 3.865 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccsc2)c([N+](=O)[O-])c1 ZINC000592999189 1040134126 /nfs/dbraw/zinc/13/41/26/1040134126.db2.gz NAZXXZZUQCDAFP-HNNXBMFYSA-N 1 1 313.382 3.865 20 30 DHEDMO N#C[C@@H](c1ccccc1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000595472162 1040146924 /nfs/dbraw/zinc/14/69/24/1040146924.db2.gz JBMYBNGWRSUCOE-HKUYNNGSSA-N 1 1 320.440 3.664 20 30 DHEDMO C=CC[N@H+](CCOc1ccccc1OC)Cc1cccc(C#N)c1 ZINC000063299784 1040189574 /nfs/dbraw/zinc/18/95/74/1040189574.db2.gz CMLLTIXHTUDZAB-UHFFFAOYSA-N 1 1 322.408 3.634 20 30 DHEDMO COC(=O)[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)[C@@H]2CCCC[C@@H]12 ZINC000595735334 1040238610 /nfs/dbraw/zinc/23/86/10/1040238610.db2.gz XCKCZJFSARPLEC-GVDBMIGSSA-N 1 1 320.477 3.760 20 30 DHEDMO CC[C@H](c1ccccc1)[N@@H+](CCC(=O)N(C)CCC#N)C(C)C ZINC000595859242 1040263936 /nfs/dbraw/zinc/26/39/36/1040263936.db2.gz YEDUUWGHZNZOLF-GOSISDBHSA-N 1 1 315.461 3.610 20 30 DHEDMO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@@H](CC(F)(F)F)O1 ZINC000595892168 1040270280 /nfs/dbraw/zinc/27/02/80/1040270280.db2.gz KESKJGWVAMROQK-ZIAGYGMSSA-N 1 1 318.383 3.892 20 30 DHEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@@H](CC(F)(F)F)O1 ZINC000595892168 1040270293 /nfs/dbraw/zinc/27/02/93/1040270293.db2.gz KESKJGWVAMROQK-ZIAGYGMSSA-N 1 1 318.383 3.892 20 30 DHEDMO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@@](C)(C(F)F)O1 ZINC000595922046 1040282573 /nfs/dbraw/zinc/28/25/73/1040282573.db2.gz NRISZFOBPOKOOW-HIFRSBDPSA-N 1 1 300.393 3.595 20 30 DHEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@@](C)(C(F)F)O1 ZINC000595922046 1040282588 /nfs/dbraw/zinc/28/25/88/1040282588.db2.gz NRISZFOBPOKOOW-HIFRSBDPSA-N 1 1 300.393 3.595 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@](C)(C(F)F)O1 ZINC000595917471 1040283873 /nfs/dbraw/zinc/28/38/73/1040283873.db2.gz MYAARYHUKANXCX-UGSOOPFHSA-N 1 1 322.399 3.732 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@](C)(C(F)F)O1 ZINC000595917471 1040283891 /nfs/dbraw/zinc/28/38/91/1040283891.db2.gz MYAARYHUKANXCX-UGSOOPFHSA-N 1 1 322.399 3.732 20 30 DHEDMO C[N@@H+](CCCNc1nc2ncccc2cc1C#N)C1CCCCC1 ZINC000596070422 1040301246 /nfs/dbraw/zinc/30/12/46/1040301246.db2.gz BXELESWTYTWGBO-UHFFFAOYSA-N 1 1 323.444 3.568 20 30 DHEDMO Cc1ccc(C#N)nc1N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000596151834 1040319028 /nfs/dbraw/zinc/31/90/28/1040319028.db2.gz BJWGLDBLUALMFW-QFBILLFUSA-N 1 1 320.440 3.584 20 30 DHEDMO C=CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000063494741 1040329065 /nfs/dbraw/zinc/32/90/65/1040329065.db2.gz FZNXZLGSUABLHQ-UHFFFAOYSA-N 1 1 319.408 3.575 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000063619330 1040404545 /nfs/dbraw/zinc/40/45/45/1040404545.db2.gz KDXKQUKPTXBKPP-IBGZPJMESA-N 1 1 312.457 3.641 20 30 DHEDMO CC1(C)Cc2n[nH]cc2C[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000596597614 1040507911 /nfs/dbraw/zinc/50/79/11/1040507911.db2.gz UXFSLUBFRLAZDR-UHFFFAOYSA-N 1 1 300.450 3.658 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCc4ccc(O)cc4C3)cc2)CC1 ZINC000596985358 1040617743 /nfs/dbraw/zinc/61/77/43/1040617743.db2.gz DVIRALXSCSLBTE-UHFFFAOYSA-N 1 1 304.393 3.506 20 30 DHEDMO CC[N@@H+](Cc1c(C2CC2)cnn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000596983674 1040618722 /nfs/dbraw/zinc/61/87/22/1040618722.db2.gz DPGYYGWOAKGOOD-AWEZNQCLSA-N 1 1 308.429 3.752 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCO[C@H](c4cccs4)C3)cc2)CC1 ZINC000596995044 1040627784 /nfs/dbraw/zinc/62/77/84/1040627784.db2.gz FPONYFSIFQJWTO-KRWDZBQOSA-N 1 1 324.449 3.877 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCO[C@H](c4cccs4)C3)cc2)CC1 ZINC000596995044 1040627792 /nfs/dbraw/zinc/62/77/92/1040627792.db2.gz FPONYFSIFQJWTO-KRWDZBQOSA-N 1 1 324.449 3.877 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H]3C3CCOCC3)cc2)CC1 ZINC000597073448 1040644903 /nfs/dbraw/zinc/64/49/03/1040644903.db2.gz IFSPEKBDMJGWAS-IBGZPJMESA-N 1 1 310.441 3.633 20 30 DHEDMO COCC[C@H]1CCCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597087387 1040650180 /nfs/dbraw/zinc/65/01/80/1040650180.db2.gz AGTSEROYYXZSOD-QGZVFWFLSA-N 1 1 312.457 3.880 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H]3c3cccnc3)cc2)CC1 ZINC000597127202 1040657082 /nfs/dbraw/zinc/65/70/82/1040657082.db2.gz NJPDMGUXIKNPNA-IBGZPJMESA-N 1 1 303.409 3.974 20 30 DHEDMO N#CCC1C[NH+](Cc2cc3cc(Br)ccc3o2)C1 ZINC000597203178 1040692218 /nfs/dbraw/zinc/69/22/18/1040692218.db2.gz HLHCOVCUSXOQQA-UHFFFAOYSA-N 1 1 305.175 3.541 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H]3c3ccncc3)cc2)CC1 ZINC000597127638 1040665059 /nfs/dbraw/zinc/66/50/59/1040665059.db2.gz PMSFBBPANQADOD-LJQANCHMSA-N 1 1 303.409 3.974 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@H](c4cccnc4)C3)cc2)CC1 ZINC000597155631 1040667538 /nfs/dbraw/zinc/66/75/38/1040667538.db2.gz USIRAGAVKADODO-GOSISDBHSA-N 1 1 303.409 3.626 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H](OC4CCC4)C3)cc2)CC1 ZINC000597157262 1040669982 /nfs/dbraw/zinc/66/99/82/1040669982.db2.gz NTQAXSHGVXNTJD-IBGZPJMESA-N 1 1 310.441 3.775 20 30 DHEDMO CCOc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1OC(F)F ZINC000597174447 1040675972 /nfs/dbraw/zinc/67/59/72/1040675972.db2.gz QUMJNAYXYDDAQG-CYBMUJFWSA-N 1 1 324.371 3.812 20 30 DHEDMO N#Cc1c(F)cccc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000602009155 1040849906 /nfs/dbraw/zinc/84/99/06/1040849906.db2.gz WMJLPDJQZZSJER-OALUTQOASA-N 1 1 310.372 3.707 20 30 DHEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2C[C@@H](C)CCC#N)c1 ZINC000602437647 1041033421 /nfs/dbraw/zinc/03/34/21/1041033421.db2.gz WOFILDOGOBBXPN-YOEHRIQHSA-N 1 1 302.418 3.781 20 30 DHEDMO COc1ccc(C[N@@H+](C)C[C@@H](C)CCC#N)cc1OC(F)F ZINC000602438901 1041033917 /nfs/dbraw/zinc/03/39/17/1041033917.db2.gz CGXRXOHMXFKVOB-LBPRGKRZSA-N 1 1 312.360 3.668 20 30 DHEDMO CC[N@@H+]([C@@H](C)c1ccc(C#N)cc1)[C@H](c1nccn1C)C1CC1 ZINC000602443014 1041037730 /nfs/dbraw/zinc/03/77/30/1041037730.db2.gz FLGGXVJCRYHEII-KSSFIOAISA-N 1 1 308.429 3.826 20 30 DHEDMO CC1CCC(OC2CC[NH+](Cc3cccc(C#N)n3)CC2)CC1 ZINC000602477459 1041039421 /nfs/dbraw/zinc/03/94/21/1041039421.db2.gz XFEZRQUNDDSDHA-UHFFFAOYSA-N 1 1 313.445 3.513 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000602488446 1041056621 /nfs/dbraw/zinc/05/66/21/1041056621.db2.gz YDCBVQNCGFNBTJ-LBPRGKRZSA-N 1 1 300.324 3.957 20 30 DHEDMO N#Cc1cccc(C[NH2+]C2(c3ccc(F)cc3F)CCCC2)n1 ZINC000602582383 1041114242 /nfs/dbraw/zinc/11/42/42/1041114242.db2.gz XSWDASSFLKBGIF-UHFFFAOYSA-N 1 1 313.351 3.791 20 30 DHEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2cccc(C#N)n2)c1 ZINC000602606814 1041124547 /nfs/dbraw/zinc/12/45/47/1041124547.db2.gz GVHDTIHUIZQKQE-IFXJQAMLSA-N 1 1 307.397 3.545 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000602634725 1041137800 /nfs/dbraw/zinc/13/78/00/1041137800.db2.gz ORLUKTJCRNNBBQ-NSHDSACASA-N 1 1 313.214 3.960 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)n1 ZINC000602659935 1041144248 /nfs/dbraw/zinc/14/42/48/1041144248.db2.gz YVYVRGMTXLQASM-PDFPEKILSA-N 1 1 303.409 3.864 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000602660273 1041145014 /nfs/dbraw/zinc/14/50/14/1041145014.db2.gz BHPYMBDACJGGEI-UYAOXDASSA-N 1 1 311.473 3.524 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000602660273 1041145019 /nfs/dbraw/zinc/14/50/19/1041145019.db2.gz BHPYMBDACJGGEI-UYAOXDASSA-N 1 1 311.473 3.524 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)n1 ZINC000602658054 1041145301 /nfs/dbraw/zinc/14/53/01/1041145301.db2.gz HPOMVDAGHABTLZ-CQSZACIVSA-N 1 1 309.335 3.508 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)n1 ZINC000602658054 1041145311 /nfs/dbraw/zinc/14/53/11/1041145311.db2.gz HPOMVDAGHABTLZ-CQSZACIVSA-N 1 1 309.335 3.508 20 30 DHEDMO N#Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)n1 ZINC000602661729 1041147189 /nfs/dbraw/zinc/14/71/89/1041147189.db2.gz KUGIFSVAQRITFV-VAMGGRTRSA-N 1 1 303.409 3.721 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000602692986 1041154832 /nfs/dbraw/zinc/15/48/32/1041154832.db2.gz KJALBJLPKBOCQA-JKSUJKDBSA-N 1 1 308.466 3.760 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)CCc1cccc(Br)c1 ZINC000602677808 1041159518 /nfs/dbraw/zinc/15/95/18/1041159518.db2.gz UQOSGJQQJODSGW-CYBMUJFWSA-N 1 1 309.251 3.863 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000602697868 1041160139 /nfs/dbraw/zinc/16/01/39/1041160139.db2.gz BJHGCVWIDBLRJG-VQIMIIECSA-N 1 1 300.446 3.589 20 30 DHEDMO N#CC1(CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000602700440 1041165196 /nfs/dbraw/zinc/16/51/96/1041165196.db2.gz WFUMPDJBJVCEJD-PKOBYXMFSA-N 1 1 309.457 3.638 20 30 DHEDMO N#CC1(C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)CCCC1 ZINC000602700246 1041165274 /nfs/dbraw/zinc/16/52/74/1041165274.db2.gz PYHUUBYKZJICQP-UHFFFAOYSA-N 1 1 301.340 3.687 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000602721162 1041175544 /nfs/dbraw/zinc/17/55/44/1041175544.db2.gz IAXQPAHLQLOJJC-LBPRGKRZSA-N 1 1 323.234 3.583 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000602721162 1041175548 /nfs/dbraw/zinc/17/55/48/1041175548.db2.gz IAXQPAHLQLOJJC-LBPRGKRZSA-N 1 1 323.234 3.583 20 30 DHEDMO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)c1C ZINC000602729593 1041183005 /nfs/dbraw/zinc/18/30/05/1041183005.db2.gz WZXAWQRKPSBZSK-UHFFFAOYSA-N 1 1 324.472 3.953 20 30 DHEDMO CCc1nc(CO[NH+]=C(N)CCCc2ccccc2)cs1 ZINC000060875331 1041197282 /nfs/dbraw/zinc/19/72/82/1041197282.db2.gz GAWRZORPXXDKNE-UHFFFAOYSA-N 1 1 303.431 3.517 20 30 DHEDMO N#Cc1ccc(F)c(C[NH+]2CCC(Cc3nccs3)CC2)c1 ZINC000602957342 1041326788 /nfs/dbraw/zinc/32/67/88/1041326788.db2.gz UBZQJNBKEQXKHL-UHFFFAOYSA-N 1 1 315.417 3.609 20 30 DHEDMO COc1ccc(C[N@@H+](CCC(C)(C)C#N)[C@H](C)CCCO)cc1 ZINC000602966383 1041333369 /nfs/dbraw/zinc/33/33/69/1041333369.db2.gz CDTCZJGIDKDUSZ-MRXNPFEDSA-N 1 1 318.461 3.598 20 30 DHEDMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602975483 1041335383 /nfs/dbraw/zinc/33/53/83/1041335383.db2.gz BOIMRRIWZYFIGV-DZGCQCFKSA-N 1 1 312.335 3.752 20 30 DHEDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602975483 1041335392 /nfs/dbraw/zinc/33/53/92/1041335392.db2.gz BOIMRRIWZYFIGV-DZGCQCFKSA-N 1 1 312.335 3.752 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997568 1041338250 /nfs/dbraw/zinc/33/82/50/1041338250.db2.gz NBGATOLBPHHILT-NEWSRXKRSA-N 1 1 312.457 3.613 20 30 DHEDMO CC(C)(C)c1ccc2c(c1)C[N@H+](C[C@H](O)CC(C)(C)C#N)CC2 ZINC000598600910 1041344630 /nfs/dbraw/zinc/34/46/30/1041344630.db2.gz CBCZGMFNGSBGNS-GOSISDBHSA-N 1 1 314.473 3.643 20 30 DHEDMO Cc1cccc(C[N@@H+](CC(C)C)C[C@H](O)CC(C)(C)C#N)c1 ZINC000598590513 1041350550 /nfs/dbraw/zinc/35/05/50/1041350550.db2.gz NIQQETLSBKTJLL-GOSISDBHSA-N 1 1 302.462 3.754 20 30 DHEDMO CC(C)C[N@@H+](CCc1ccc(F)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598589259 1041352406 /nfs/dbraw/zinc/35/24/06/1041352406.db2.gz GAGUQXNWHWXAAF-SFHVURJKSA-N 1 1 320.452 3.627 20 30 DHEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598594756 1041354840 /nfs/dbraw/zinc/35/48/40/1041354840.db2.gz JCJPNHPXXNQIJG-IMJJTQAJSA-N 1 1 304.434 3.662 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000598594182 1041354889 /nfs/dbraw/zinc/35/48/89/1041354889.db2.gz ZTZWBWYHKIYXBF-AZUAARDMSA-N 1 1 314.473 3.632 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000598594188 1041354905 /nfs/dbraw/zinc/35/49/05/1041354905.db2.gz ZTZWBWYHKIYXBF-ICSRJNTNSA-N 1 1 314.473 3.632 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000598599309 1041358860 /nfs/dbraw/zinc/35/88/60/1041358860.db2.gz ZNDUIQMBAKRBOR-WMLDXEAASA-N 1 1 322.399 3.793 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000598599308 1041359491 /nfs/dbraw/zinc/35/94/91/1041359491.db2.gz ZNDUIQMBAKRBOR-RHSMWYFYSA-N 1 1 322.399 3.793 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000598621286 1041364697 /nfs/dbraw/zinc/36/46/97/1041364697.db2.gz JGNIVAVDIPGPLO-ROUUACIJSA-N 1 1 312.457 3.557 20 30 DHEDMO CC[C@H](C[N@@H+](CC)C[C@@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598609205 1041369101 /nfs/dbraw/zinc/36/91/01/1041369101.db2.gz RYUUAAAQGQSNQH-AEFFLSMTSA-N 1 1 302.462 3.803 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cccc(Cl)c1Cl ZINC000072553324 191191798 /nfs/dbraw/zinc/19/17/98/191191798.db2.gz YFGDWDLYUSORQL-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cccc(Cl)c1Cl ZINC000072553324 191191800 /nfs/dbraw/zinc/19/18/00/191191800.db2.gz YFGDWDLYUSORQL-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO C=CCSc1ccccc1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000182850005 335003781 /nfs/dbraw/zinc/00/37/81/335003781.db2.gz BRYYFFYLWSNJRN-UHFFFAOYSA-N 1 1 315.442 3.923 20 30 DHEDMO O[C@@H](C[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)c1cccs1 ZINC000192062367 335023140 /nfs/dbraw/zinc/02/31/40/335023140.db2.gz RBXCPJSMMTWPGD-ROUUACIJSA-N 1 1 311.450 3.688 20 30 DHEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000192621632 335036689 /nfs/dbraw/zinc/03/66/89/335036689.db2.gz JDKSGVYBXPJGKG-BLLLJJGKSA-N 1 1 319.836 3.661 20 30 DHEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000192621587 335036749 /nfs/dbraw/zinc/03/67/49/335036749.db2.gz JDKSGVYBXPJGKG-WBMJQRKESA-N 1 1 319.836 3.661 20 30 DHEDMO C=C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000135649933 335038277 /nfs/dbraw/zinc/03/82/77/335038277.db2.gz TVGGCGWCAIHEBB-ZHALLVOQSA-N 1 1 314.473 3.535 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C)Cc2ccncc2)ccc1OC ZINC000183738011 335041283 /nfs/dbraw/zinc/04/12/83/335041283.db2.gz QRXDLLCMRNCAQL-UHFFFAOYSA-N 1 1 312.413 3.677 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000165730014 335046885 /nfs/dbraw/zinc/04/68/85/335046885.db2.gz RIJSJPZYLSPODW-CQSZACIVSA-N 1 1 316.405 3.533 20 30 DHEDMO CC(=O)Nc1ccn([C@H]2CC[N@H+]([C@H](C)c3cccc(C)c3)C2)n1 ZINC000328621212 257264129 /nfs/dbraw/zinc/26/41/29/257264129.db2.gz HORRBARQLKWSJD-PBHICJAKSA-N 1 1 312.417 3.807 20 30 DHEDMO C#Cc1ccc(CNc2cccc([C@@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000289315125 335061685 /nfs/dbraw/zinc/06/16/85/335061685.db2.gz SNMXISLMMCOPTG-QGZVFWFLSA-N 1 1 320.436 3.673 20 30 DHEDMO Cc1nsc(NCc2ccccc2C[N@H+](C)C(C)C)c1C#N ZINC000283529235 131000908 /nfs/dbraw/zinc/00/09/08/131000908.db2.gz KYZAQUUWPWURQM-UHFFFAOYSA-N 1 1 314.458 3.776 20 30 DHEDMO CC(C)[N@H+](CC(=O)Nc1sccc1C#N)Cc1cccs1 ZINC000299162465 132092554 /nfs/dbraw/zinc/09/25/54/132092554.db2.gz LWAVMJKLMNLFHF-UHFFFAOYSA-N 1 1 319.455 3.530 20 30 DHEDMO CC(C)[N@@H+](CC(=O)Nc1sccc1C#N)Cc1cccs1 ZINC000299162465 132092557 /nfs/dbraw/zinc/09/25/57/132092557.db2.gz LWAVMJKLMNLFHF-UHFFFAOYSA-N 1 1 319.455 3.530 20 30 DHEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000120793301 132145904 /nfs/dbraw/zinc/14/59/04/132145904.db2.gz VQSSWHFFKFVGFQ-HIFRSBDPSA-N 1 1 319.474 3.849 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1cnc([C@@H](C)O)s1)c1ccc(F)c(F)c1 ZINC000289764730 335065263 /nfs/dbraw/zinc/06/52/63/335065263.db2.gz QMRQBODTKJCEEZ-MEBBXXQBSA-N 1 1 324.396 3.882 20 30 DHEDMO C=CC[N@@H+](Cc1ncc(C2OCCO2)s1)CC1CCCCC1 ZINC000290183858 335069962 /nfs/dbraw/zinc/06/99/62/335069962.db2.gz ZLMRVSQSGGQNIN-UHFFFAOYSA-N 1 1 322.474 3.757 20 30 DHEDMO C=CC[N@H+](Cc1ncc(C2OCCO2)s1)CC1CCCCC1 ZINC000290183858 335069964 /nfs/dbraw/zinc/06/99/64/335069964.db2.gz ZLMRVSQSGGQNIN-UHFFFAOYSA-N 1 1 322.474 3.757 20 30 DHEDMO N#Cc1ccc2nc(NC[C@@H]3CC[N@H+]3C3CCCC3)ccc2c1 ZINC000528208709 429861379 /nfs/dbraw/zinc/86/13/79/429861379.db2.gz LELNPKFNNSMTOK-KRWDZBQOSA-N 1 1 306.413 3.535 20 30 DHEDMO CC(C)(C)[N@H+]1CC[C@H](CNc2ncc(C#N)c3ccsc32)C1 ZINC000601190685 435330605 /nfs/dbraw/zinc/33/06/05/435330605.db2.gz CNSOAMHYQZHNMF-GFCCVEGCSA-N 1 1 314.458 3.700 20 30 DHEDMO Cn1c2ccccc2[nH+]c1NCc1cccc(OCCCC#N)c1 ZINC000601934333 435331924 /nfs/dbraw/zinc/33/19/24/435331924.db2.gz PKYYKFAASHXSIQ-UHFFFAOYSA-N 1 1 320.396 3.868 20 30 DHEDMO CC[C@H]1CCCC[N@H+]1CCNc1cc(C#N)c2ccccc2n1 ZINC000609893815 435354220 /nfs/dbraw/zinc/35/42/20/435354220.db2.gz IUJQNAROQMFROK-INIZCTEOSA-N 1 1 308.429 3.783 20 30 DHEDMO N#CCC[C@H](C#N)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000066350184 331885778 /nfs/dbraw/zinc/88/57/78/331885778.db2.gz YTTADGQQVFLOGG-OAHLLOKOSA-N 1 1 306.413 3.791 20 30 DHEDMO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1ccccc1SCC#N ZINC000072607240 331931176 /nfs/dbraw/zinc/93/11/76/331931176.db2.gz KEHZVUKSFXBAID-KBPBESRZSA-N 1 1 317.458 3.504 20 30 DHEDMO Cc1cc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)ccc1C#N ZINC000518621517 332099032 /nfs/dbraw/zinc/09/90/32/332099032.db2.gz WUBWZBTXURECIT-HXUWFJFHSA-N 1 1 317.436 3.504 20 30 DHEDMO CC[C@H](C)C[N@@H+](C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000091796720 332112445 /nfs/dbraw/zinc/11/24/45/332112445.db2.gz QTRRJUDBPSYKAR-HNNXBMFYSA-N 1 1 304.434 3.856 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+](CCCC)[C@@H](C)c2ccccc2)C1=O ZINC000410340027 332113268 /nfs/dbraw/zinc/11/32/68/332113268.db2.gz VXCWAMWEJZJBCJ-WMZOPIPTSA-N 1 1 300.446 3.637 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000091891664 332113868 /nfs/dbraw/zinc/11/38/68/332113868.db2.gz FTIGQKAUCGKFSE-GJZGRUSLSA-N 1 1 306.475 3.966 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccccc1NC(C)=O ZINC000093101047 332134118 /nfs/dbraw/zinc/13/41/18/332134118.db2.gz LPWBNZBELFBFNQ-UHFFFAOYSA-N 1 1 301.434 3.797 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccccc1NC(C)=O ZINC000093101047 332134119 /nfs/dbraw/zinc/13/41/19/332134119.db2.gz LPWBNZBELFBFNQ-UHFFFAOYSA-N 1 1 301.434 3.797 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)s1 ZINC000569591410 332148062 /nfs/dbraw/zinc/14/80/62/332148062.db2.gz VQEARDOJTYRPSV-OAHLLOKOSA-N 1 1 300.431 3.754 20 30 DHEDMO C[C@@H](O)C[N@@H+](CC#Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000427013643 332164702 /nfs/dbraw/zinc/16/47/02/332164702.db2.gz BZWLDVIOANSKKI-OAHLLOKOSA-N 1 1 305.849 3.707 20 30 DHEDMO C=C(C)C[N@@H+](C)Cc1oc(-c2ccccc2)nc1C(=O)OCC ZINC000181265141 332189105 /nfs/dbraw/zinc/18/91/05/332189105.db2.gz XCXJGYZHXIBTIY-UHFFFAOYSA-N 1 1 314.385 3.526 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1oc(-c2ccccc2)nc1C(=O)OCC ZINC000181265141 332189106 /nfs/dbraw/zinc/18/91/06/332189106.db2.gz XCXJGYZHXIBTIY-UHFFFAOYSA-N 1 1 314.385 3.526 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000181306940 332190714 /nfs/dbraw/zinc/19/07/14/332190714.db2.gz ZWECVYMAQMUDHS-JTQLQIEISA-N 1 1 301.217 3.828 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000181306940 332190716 /nfs/dbraw/zinc/19/07/16/332190716.db2.gz ZWECVYMAQMUDHS-JTQLQIEISA-N 1 1 301.217 3.828 20 30 DHEDMO C[C@@H]1C[C@H](Nc2ccc(C#N)cc2C(F)(F)F)C[N@H+]1C1CC1 ZINC000317815577 332200354 /nfs/dbraw/zinc/20/03/54/332200354.db2.gz YGIZZFJPZVTPJJ-PWSUYJOCSA-N 1 1 309.335 3.614 20 30 DHEDMO C=CC[N@H+](CCc1csc(C)n1)Cc1cccc([N+](=O)[O-])c1 ZINC000119610252 332255766 /nfs/dbraw/zinc/25/57/66/332255766.db2.gz JITFLEOYZCELGL-UHFFFAOYSA-N 1 1 317.414 3.590 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(NC(C)=O)cc1 ZINC000119934914 332326909 /nfs/dbraw/zinc/32/69/09/332326909.db2.gz MWSOZSBIZCAYTE-UHFFFAOYSA-N 1 1 300.427 3.895 20 30 DHEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1-n1cccn1 ZINC000428311648 332452894 /nfs/dbraw/zinc/45/28/94/332452894.db2.gz CHWFWKGYWZSAOB-CQSZACIVSA-N 1 1 320.371 3.734 20 30 DHEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Br)s1 ZINC000570001666 332701364 /nfs/dbraw/zinc/70/13/64/332701364.db2.gz VUINYMBWKBQPJI-UWVGGRQHSA-N 1 1 312.236 3.605 20 30 DHEDMO CC[NH+](CC)Cc1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000176943266 332964831 /nfs/dbraw/zinc/96/48/31/332964831.db2.gz YWCJUOAIQPYUPW-UHFFFAOYSA-N 1 1 313.470 3.751 20 30 DHEDMO CC(C)CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000173531225 333074653 /nfs/dbraw/zinc/07/46/53/333074653.db2.gz QOYYZKMRXNSGAI-UHFFFAOYSA-N 1 1 310.401 3.619 20 30 DHEDMO CC(C)[N@@H+](CCCC(C)(C)C#N)CC(=O)Nc1ccc(F)cc1 ZINC000174846692 333091862 /nfs/dbraw/zinc/09/18/62/333091862.db2.gz DFJRKWDSFOJEEX-UHFFFAOYSA-N 1 1 319.424 3.805 20 30 DHEDMO COc1ccc(C[N@H+](CCC#N)CC2CC2)cc1Br ZINC000177029906 333124029 /nfs/dbraw/zinc/12/40/29/333124029.db2.gz KBMSWTVZGNZBHN-UHFFFAOYSA-N 1 1 323.234 3.583 20 30 DHEDMO COc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1Br ZINC000177029906 333124031 /nfs/dbraw/zinc/12/40/31/333124031.db2.gz KBMSWTVZGNZBHN-UHFFFAOYSA-N 1 1 323.234 3.583 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC000178528983 333140483 /nfs/dbraw/zinc/14/04/83/333140483.db2.gz XZBXOOYPXYYXHS-GOSISDBHSA-N 1 1 311.473 3.548 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000178528983 333140484 /nfs/dbraw/zinc/14/04/84/333140484.db2.gz XZBXOOYPXYYXHS-GOSISDBHSA-N 1 1 311.473 3.548 20 30 DHEDMO CC[C@H]([NH2+]Cc1ccccc1C#N)c1ccc2c(c1)OCCO2 ZINC000179068225 333146190 /nfs/dbraw/zinc/14/61/90/333146190.db2.gz DATZGONUKXAFHU-KRWDZBQOSA-N 1 1 308.381 3.570 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000187950065 333154502 /nfs/dbraw/zinc/15/45/02/333154502.db2.gz HXMAGGVZAKCJTF-PXNSSMCTSA-N 1 1 314.473 3.712 20 30 DHEDMO C[C@@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)c1ccc(OCC#N)cc1 ZINC000181763584 333172099 /nfs/dbraw/zinc/17/20/99/333172099.db2.gz YEHDRVXLEFXEHA-CRAIPNDOSA-N 1 1 317.477 3.606 20 30 DHEDMO C[C@@H](CC#N)[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183047537 333182666 /nfs/dbraw/zinc/18/26/66/333182666.db2.gz WFEAPTGQCCVCTO-HNNXBMFYSA-N 1 1 310.397 3.705 20 30 DHEDMO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183047537 333182668 /nfs/dbraw/zinc/18/26/68/333182668.db2.gz WFEAPTGQCCVCTO-HNNXBMFYSA-N 1 1 310.397 3.705 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000184084895 333191668 /nfs/dbraw/zinc/19/16/68/333191668.db2.gz UWBKDQHZKOHAKG-CQSZACIVSA-N 1 1 318.371 3.549 20 30 DHEDMO N#CCC[C@H](C#N)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000185791278 333214182 /nfs/dbraw/zinc/21/41/82/333214182.db2.gz LPQRFMDGDGZHOR-CQSZACIVSA-N 1 1 301.821 3.963 20 30 DHEDMO COc1ccccc1[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccn1 ZINC000185873754 333215194 /nfs/dbraw/zinc/21/51/94/333215194.db2.gz ZLQLLGUWLMXTRA-FTRWYGJKSA-N 1 1 321.424 3.852 20 30 DHEDMO N#C[C@H]1CCC[C@@H]([NH2+][C@@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000185874503 333215321 /nfs/dbraw/zinc/21/53/21/333215321.db2.gz GZIKPECDGMQHHX-YJLNNSPDSA-N 1 1 309.388 3.982 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)ccc1C#N ZINC000319069419 333252791 /nfs/dbraw/zinc/25/27/91/333252791.db2.gz YGQMHYHLSJIWGY-CQSZACIVSA-N 1 1 312.335 3.730 20 30 DHEDMO COCC[N@@H+](Cc1cccnc1)Cc1ccccc1C(C)(C)C#N ZINC000191248110 333278642 /nfs/dbraw/zinc/27/86/42/333278642.db2.gz NXGDTVCJYOHAOD-UHFFFAOYSA-N 1 1 323.440 3.531 20 30 DHEDMO CCc1ccc([C@@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)cc1 ZINC000191669127 333281409 /nfs/dbraw/zinc/28/14/09/333281409.db2.gz NASJNZXFKXWSHV-SFHVURJKSA-N 1 1 300.446 3.952 20 30 DHEDMO C=CCCCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000364380674 333303368 /nfs/dbraw/zinc/30/33/68/333303368.db2.gz SXMSMEXSUANZME-MJGOQNOKSA-N 1 1 314.473 3.712 20 30 DHEDMO N#Cc1ccc(C[N@H+](C[C@H](O)CCc2ccccc2)C2CC2)cc1 ZINC000182275157 333354923 /nfs/dbraw/zinc/35/49/23/333354923.db2.gz FSTLAGUCFPCGON-OAQYLSRUSA-N 1 1 320.436 3.516 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000188471602 333367825 /nfs/dbraw/zinc/36/78/25/333367825.db2.gz MJCPWTXLHDZCGS-XLIONFOSSA-N 1 1 314.473 3.712 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc3c(n2)CCC3)C2CC2)cc1 ZINC000563090457 333386535 /nfs/dbraw/zinc/38/65/35/333386535.db2.gz SHECXWRARJTOJJ-UHFFFAOYSA-N 1 1 303.409 3.607 20 30 DHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000319693125 333397331 /nfs/dbraw/zinc/39/73/31/333397331.db2.gz LJBVUZJINIDIPZ-SJLPKXTDSA-N 1 1 311.429 3.541 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000185704443 335148312 /nfs/dbraw/zinc/14/83/12/335148312.db2.gz ZXFOFQCQWWUSOQ-JKSUJKDBSA-N 1 1 316.445 3.621 20 30 DHEDMO CC[C@H](c1ccc(F)cc1F)N1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411314873 333653848 /nfs/dbraw/zinc/65/38/48/333653848.db2.gz SAVMRKIQAISTRG-KBXCAEBGSA-N 1 1 321.415 3.726 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(F)c(F)c1 ZINC000186451791 335158039 /nfs/dbraw/zinc/15/80/39/335158039.db2.gz CZNLRKXSLTVFQA-SJLPKXTDSA-N 1 1 317.383 3.983 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(F)c(F)c1 ZINC000186451808 335158052 /nfs/dbraw/zinc/15/80/52/335158052.db2.gz CZNLRKXSLTVFQA-WMZOPIPTSA-N 1 1 317.383 3.983 20 30 DHEDMO N#CCOc1ccc(C[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000266879914 333976784 /nfs/dbraw/zinc/97/67/84/333976784.db2.gz WIMHKMZSEVYHET-UHFFFAOYSA-N 1 1 313.426 3.605 20 30 DHEDMO C[C@H](c1cccc(NCCCC(C)(C)C#N)c1)[NH+]1CCOCC1 ZINC000268617210 333992306 /nfs/dbraw/zinc/99/23/06/333992306.db2.gz XVIXLWRJKMFPDO-MRXNPFEDSA-N 1 1 315.461 3.822 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)cc1 ZINC000414534628 334010945 /nfs/dbraw/zinc/01/09/45/334010945.db2.gz VHVXFYVFPCJHNC-IBGZPJMESA-N 1 1 315.457 3.888 20 30 DHEDMO CC(C)(CCC#N)C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000271035728 334017477 /nfs/dbraw/zinc/01/74/77/334017477.db2.gz JULMZDZYOLRQPN-UHFFFAOYSA-N 1 1 308.429 3.982 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(C)C)cc1OCCCC#N ZINC000271043822 334017632 /nfs/dbraw/zinc/01/76/32/334017632.db2.gz KKMDMEQQZTZSTM-HNNXBMFYSA-N 1 1 304.434 3.854 20 30 DHEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000271439995 334023277 /nfs/dbraw/zinc/02/32/77/334023277.db2.gz BRWJIISAMCOENM-ZIAGYGMSSA-N 1 1 317.458 3.504 20 30 DHEDMO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000271432590 334023373 /nfs/dbraw/zinc/02/33/73/334023373.db2.gz BENRFEIIYSQZLL-QPIRBTGLSA-N 1 1 320.440 3.781 20 30 DHEDMO CC1(C#N)CC[NH+](CCOc2ccc(Cl)cc2Cl)CC1 ZINC000272507988 334036063 /nfs/dbraw/zinc/03/60/63/334036063.db2.gz FTAKFRUJWQGBGN-UHFFFAOYSA-N 1 1 313.228 3.998 20 30 DHEDMO Cc1cc(-c2noc([C@H](C)[NH2+][C@H]3CC[C@@H](C#N)C3)n2)ccc1F ZINC000274405016 334061056 /nfs/dbraw/zinc/06/10/56/334061056.db2.gz FINVZRQNNDRHLV-SCRDCRAPSA-N 1 1 314.364 3.527 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000277580190 334089072 /nfs/dbraw/zinc/08/90/72/334089072.db2.gz CCZQXCKMBXCGCE-JKSUJKDBSA-N 1 1 304.434 3.888 20 30 DHEDMO COc1ccc(C[N@@H+](C)CCCCC(C)(C)C#N)c(OC)c1 ZINC000277877818 334091545 /nfs/dbraw/zinc/09/15/45/334091545.db2.gz DZWLUKHGHVIGDE-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]([C@H]4CC[C@H](C#N)C4)C3)nc2c1 ZINC000278761232 334100966 /nfs/dbraw/zinc/10/09/66/334100966.db2.gz XVHKVOGRNDHQHO-XHSDSOJGSA-N 1 1 308.429 3.743 20 30 DHEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+]([C@H]4CC[C@H](C#N)C4)C3)[nH]c2c1 ZINC000278761232 334100967 /nfs/dbraw/zinc/10/09/67/334100967.db2.gz XVHKVOGRNDHQHO-XHSDSOJGSA-N 1 1 308.429 3.743 20 30 DHEDMO Cc1ccc2nc([C@@H]3CCC[N@H+]([C@H]4CC[C@H](C#N)C4)C3)[nH]c2c1 ZINC000278761232 334100968 /nfs/dbraw/zinc/10/09/68/334100968.db2.gz XVHKVOGRNDHQHO-XHSDSOJGSA-N 1 1 308.429 3.743 20 30 DHEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCSCC#N ZINC000278950202 334104071 /nfs/dbraw/zinc/10/40/71/334104071.db2.gz OKPCCNXFLJUDJJ-HNNXBMFYSA-N 1 1 312.866 3.606 20 30 DHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1Cl ZINC000282041378 334130791 /nfs/dbraw/zinc/13/07/91/334130791.db2.gz QXLPLYTVWICEJP-UHFFFAOYSA-N 1 1 306.837 3.872 20 30 DHEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000282115421 334131443 /nfs/dbraw/zinc/13/14/43/334131443.db2.gz XIKMODPSMFANBM-OAHLLOKOSA-N 1 1 304.409 3.919 20 30 DHEDMO COc1ccccc1O[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000286524743 334153573 /nfs/dbraw/zinc/15/35/73/334153573.db2.gz QXLQISDYAVRDJA-INIZCTEOSA-N 1 1 316.445 3.868 20 30 DHEDMO COCCOCc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000289300511 334164218 /nfs/dbraw/zinc/16/42/18/334164218.db2.gz IFJCOPWVOIMDCJ-UHFFFAOYSA-N 1 1 318.461 3.611 20 30 DHEDMO COCCOCc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000289300511 334164219 /nfs/dbraw/zinc/16/42/19/334164219.db2.gz IFJCOPWVOIMDCJ-UHFFFAOYSA-N 1 1 318.461 3.611 20 30 DHEDMO Cc1cc(CNc2ccc(F)cc2C#N)cc(N2CCCC2)[nH+]1 ZINC000291105672 334176367 /nfs/dbraw/zinc/17/63/67/334176367.db2.gz KZJOYNHXDZFLFD-UHFFFAOYSA-N 1 1 310.376 3.613 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292141374 334184703 /nfs/dbraw/zinc/18/47/03/334184703.db2.gz MLXIOSLFTOZUJR-SFHVURJKSA-N 1 1 312.457 3.736 20 30 DHEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000292372866 334187325 /nfs/dbraw/zinc/18/73/25/334187325.db2.gz IXFIILYAXJRDKT-CZUORRHYSA-N 1 1 319.861 3.950 20 30 DHEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000292372866 334187326 /nfs/dbraw/zinc/18/73/26/334187326.db2.gz IXFIILYAXJRDKT-CZUORRHYSA-N 1 1 319.861 3.950 20 30 DHEDMO C[N@@H+](CCc1cccc(Br)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000293576435 334199131 /nfs/dbraw/zinc/19/91/31/334199131.db2.gz NJOQLHWJQJMKKJ-HIFRSBDPSA-N 1 1 307.235 3.616 20 30 DHEDMO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCC#N)s2)cc1 ZINC000299334066 334254737 /nfs/dbraw/zinc/25/47/37/334254737.db2.gz OJIKTJZHMNHGAL-NSHDSACASA-N 1 1 301.415 3.691 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2ccccc2n1C ZINC000187690262 334268156 /nfs/dbraw/zinc/26/81/56/334268156.db2.gz ZTEOSYFFPHKNQB-AWEZNQCLSA-N 1 1 304.397 3.638 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2ccccc2n1C ZINC000187690262 334268157 /nfs/dbraw/zinc/26/81/57/334268157.db2.gz ZTEOSYFFPHKNQB-AWEZNQCLSA-N 1 1 304.397 3.638 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000534692020 334327235 /nfs/dbraw/zinc/32/72/35/334327235.db2.gz POVKPLXKOJPKLX-GOSISDBHSA-N 1 1 312.800 3.865 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000534692020 334327236 /nfs/dbraw/zinc/32/72/36/334327236.db2.gz POVKPLXKOJPKLX-GOSISDBHSA-N 1 1 312.800 3.865 20 30 DHEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000534914360 334346026 /nfs/dbraw/zinc/34/60/26/334346026.db2.gz YCZGADASJCFHSS-MRXNPFEDSA-N 1 1 308.425 3.877 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2c1OCO2 ZINC000535075001 334364962 /nfs/dbraw/zinc/36/49/62/334364962.db2.gz CTZXEDZEGSQZBA-UHFFFAOYSA-N 1 1 308.381 3.699 20 30 DHEDMO N#Cc1cccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)c1F ZINC000340839799 334388957 /nfs/dbraw/zinc/38/89/57/334388957.db2.gz YLVBSFDMVYNLSB-IBGZPJMESA-N 1 1 324.399 3.569 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000340934825 334394678 /nfs/dbraw/zinc/39/46/78/334394678.db2.gz XRHYDOIJNFJSPI-DLBZAZTESA-N 1 1 315.461 3.785 20 30 DHEDMO CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n1C ZINC000328800273 334758018 /nfs/dbraw/zinc/75/80/18/334758018.db2.gz YFTQOLZTKOQYJM-RRFJBIMHSA-N 1 1 318.465 3.549 20 30 DHEDMO C=CCC(CC=C)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000343939781 335203215 /nfs/dbraw/zinc/20/32/15/335203215.db2.gz HFWBZYKFDYLGRW-SOLBZPMBSA-N 1 1 304.478 3.619 20 30 DHEDMO CC[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000344226476 335230198 /nfs/dbraw/zinc/23/01/98/335230198.db2.gz XUWMXNQYZXYDTP-PXAZEXFGSA-N 1 1 319.836 3.661 20 30 DHEDMO Cc1ccc2[nH]c(C[NH2+][C@H](C)c3ccc(C#N)c(F)c3)nc2c1 ZINC000346159568 335383507 /nfs/dbraw/zinc/38/35/07/335383507.db2.gz HSKIQZPBYMOHPD-GFCCVEGCSA-N 1 1 308.360 3.733 20 30 DHEDMO Cc1ccc2nc(C[NH2+][C@H](C)c3ccc(C#N)c(F)c3)[nH]c2c1 ZINC000346159568 335383509 /nfs/dbraw/zinc/38/35/09/335383509.db2.gz HSKIQZPBYMOHPD-GFCCVEGCSA-N 1 1 308.360 3.733 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1csc(-c2ccccn2)n1 ZINC000329658942 336029246 /nfs/dbraw/zinc/02/92/46/336029246.db2.gz HLYJRAQQQWQSKP-TXEJJXNPSA-N 1 1 316.430 3.666 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1csc(-c2ccccn2)n1 ZINC000329658942 336029248 /nfs/dbraw/zinc/02/92/48/336029248.db2.gz HLYJRAQQQWQSKP-TXEJJXNPSA-N 1 1 316.430 3.666 20 30 DHEDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1csc(-c2ccccn2)n1 ZINC000329658944 336029268 /nfs/dbraw/zinc/02/92/68/336029268.db2.gz HLYJRAQQQWQSKP-VXGBXAGGSA-N 1 1 316.430 3.666 20 30 DHEDMO COCC[N@@H+](Cc1cc(C#N)cs1)[C@@H](C)c1ccccc1 ZINC000351581229 336046969 /nfs/dbraw/zinc/04/69/69/336046969.db2.gz GVZZTEXHVHPCED-AWEZNQCLSA-N 1 1 300.427 3.829 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC3(CCOCC3)[C@H]2C)cc1 ZINC000351606854 336049307 /nfs/dbraw/zinc/04/93/07/336049307.db2.gz VEDAAKYKVFHSCK-MRXNPFEDSA-N 1 1 301.430 3.642 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000351751606 336064538 /nfs/dbraw/zinc/06/45/38/336064538.db2.gz KCJLGGGWJUVDBV-MRXNPFEDSA-N 1 1 302.466 3.998 20 30 DHEDMO C=C(C)CC[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000351751606 336064540 /nfs/dbraw/zinc/06/45/40/336064540.db2.gz KCJLGGGWJUVDBV-MRXNPFEDSA-N 1 1 302.466 3.998 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000351751606 336064542 /nfs/dbraw/zinc/06/45/42/336064542.db2.gz KCJLGGGWJUVDBV-MRXNPFEDSA-N 1 1 302.466 3.998 20 30 DHEDMO Cc1ccnc(-c2cccc(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)c2)n1 ZINC000329964747 336100526 /nfs/dbraw/zinc/10/05/26/336100526.db2.gz UBFDFVVSSQUBMT-GASCZTMLSA-N 1 1 324.428 3.913 20 30 DHEDMO O=C(Nc1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)c1)C1CC1 ZINC000330272010 336132094 /nfs/dbraw/zinc/13/20/94/336132094.db2.gz WYEUPNXKHHYSSC-MRXNPFEDSA-N 1 1 313.401 3.899 20 30 DHEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000330348270 336173483 /nfs/dbraw/zinc/17/34/83/336173483.db2.gz IOGCHYWYRWJUOR-AWEZNQCLSA-N 1 1 304.438 3.627 20 30 DHEDMO CC(C)(CO)[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccs1 ZINC000351976391 336184997 /nfs/dbraw/zinc/18/49/97/336184997.db2.gz RQHVHCXZUPBWFC-MRXNPFEDSA-N 1 1 318.417 3.608 20 30 DHEDMO CCN(Cc1ccc(C#N)o1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000352681726 336230049 /nfs/dbraw/zinc/23/00/49/336230049.db2.gz NEYCYKBLSXCBFV-SJLPKXTDSA-N 1 1 323.440 3.809 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc2cccnc21 ZINC000352795238 336237476 /nfs/dbraw/zinc/23/74/76/336237476.db2.gz CUZIVWWYZLDCEW-UHFFFAOYSA-N 1 1 322.408 3.898 20 30 DHEDMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1cccc(Cl)c1 ZINC000042267802 336238239 /nfs/dbraw/zinc/23/82/39/336238239.db2.gz LSVUYPSWALMVHH-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[NH+]1C2CCC1CC2 ZINC000532466447 336249190 /nfs/dbraw/zinc/24/91/90/336249190.db2.gz NXCPTEPNWYYILE-UHFFFAOYSA-N 1 1 302.443 3.530 20 30 DHEDMO Cc1cc(F)ccc1C[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000532501991 336252465 /nfs/dbraw/zinc/25/24/65/336252465.db2.gz YYDWQKNGWNQIBH-HXUWFJFHSA-N 1 1 323.415 3.517 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000532518261 336253495 /nfs/dbraw/zinc/25/34/95/336253495.db2.gz YJGRQMOKHOKPTP-IAGOWNOFSA-N 1 1 302.462 3.535 20 30 DHEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000182610972 336274434 /nfs/dbraw/zinc/27/44/34/336274434.db2.gz JYIKPCBXSHTAQJ-AWEZNQCLSA-N 1 1 309.369 3.968 20 30 DHEDMO C=CC[NH+]1CCC(NC2c3ccccc3-c3ccccc32)CC1 ZINC000182640467 336277594 /nfs/dbraw/zinc/27/75/94/336277594.db2.gz RNGCLMXLCLCGMS-UHFFFAOYSA-N 1 1 304.437 3.996 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(CNc2c(F)cc(C#N)cc2F)c1 ZINC000301229110 336295769 /nfs/dbraw/zinc/29/57/69/336295769.db2.gz IHWFGPNEPJPGBC-UHFFFAOYSA-N 1 1 315.367 3.900 20 30 DHEDMO C[C@@H](CNc1c(C#N)cnc2ccccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000301373568 336303163 /nfs/dbraw/zinc/30/31/63/336303163.db2.gz QNQSTSCBVOSJDW-CABCVRRESA-N 1 1 308.429 3.639 20 30 DHEDMO N#Cc1cc(F)ccc1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000301402557 336304480 /nfs/dbraw/zinc/30/44/80/336304480.db2.gz JQICVXIIGWMQRD-QGZVFWFLSA-N 1 1 323.415 3.674 20 30 DHEDMO C[N@H+]1CCC[C@H](CNc2ccc(C#N)nc2)[C@H]1c1cccs1 ZINC000301584337 336316560 /nfs/dbraw/zinc/31/65/60/336316560.db2.gz VPXPSYLXLODORG-DYVFJYSZSA-N 1 1 312.442 3.510 20 30 DHEDMO C=C[C@@H](C)Nc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000301615417 336318497 /nfs/dbraw/zinc/31/84/97/336318497.db2.gz VDKACXZKRJERLM-LLVKDONJSA-N 1 1 316.474 3.890 20 30 DHEDMO N#Cc1cc(Cl)ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301788502 336329887 /nfs/dbraw/zinc/32/98/87/336329887.db2.gz PUPWHBPERDRCLF-UGSOOPFHSA-N 1 1 315.848 3.665 20 30 DHEDMO N#Cc1cc(Cl)ccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000301788499 336329988 /nfs/dbraw/zinc/32/99/88/336329988.db2.gz PUPWHBPERDRCLF-ACJLOTCBSA-N 1 1 315.848 3.665 20 30 DHEDMO CCC[N@H+]1CC[C@@H](CNc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000301983579 336341326 /nfs/dbraw/zinc/34/13/26/336341326.db2.gz KDOXURRYUKBDKH-ZDUSSCGKSA-N 1 1 311.351 3.721 20 30 DHEDMO CC(=O)c1ccc(C#N)cc1NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000302098431 336348392 /nfs/dbraw/zinc/34/83/92/336348392.db2.gz KFMQFAIHUJKBCI-HNNXBMFYSA-N 1 1 313.445 3.685 20 30 DHEDMO CC(=O)c1ccc(C#N)c(NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000302113458 336349190 /nfs/dbraw/zinc/34/91/90/336349190.db2.gz BKAHJOQTVADURS-SFHVURJKSA-N 1 1 313.445 3.683 20 30 DHEDMO CCCC[N@H+]1CCCC[C@H]1CNc1cc(C(C)=O)ccc1C#N ZINC000302117982 336349295 /nfs/dbraw/zinc/34/92/95/336349295.db2.gz SFJOQPNWHDFPBI-SFHVURJKSA-N 1 1 313.445 3.827 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000302203053 336353740 /nfs/dbraw/zinc/35/37/40/336353740.db2.gz IMCKFUWLOUVZOG-CQSZACIVSA-N 1 1 316.405 3.533 20 30 DHEDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1ccc(C#N)cc1C(F)(F)F)C2 ZINC000302621274 336362844 /nfs/dbraw/zinc/36/28/44/336362844.db2.gz DQAVBJXIDYFOFD-GFCCVEGCSA-N 1 1 320.318 3.509 20 30 DHEDMO C[N@@H+](CCSc1c(C#N)cccc1C#N)Cc1ccccc1 ZINC000302870891 336372728 /nfs/dbraw/zinc/37/27/28/336372728.db2.gz YSHXBBWQUPCMEL-UHFFFAOYSA-N 1 1 307.422 3.654 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2c(C#N)cccc2C#N)C1 ZINC000302895737 336373541 /nfs/dbraw/zinc/37/35/41/336373541.db2.gz QWOSEMFZGKMFED-IRXDYDNUSA-N 1 1 322.456 3.521 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCO[C@H](C)C1 ZINC000352901258 336375446 /nfs/dbraw/zinc/37/54/46/336375446.db2.gz JDEWNLZESCIYAJ-SJORKVTESA-N 1 1 305.466 3.657 20 30 DHEDMO C=C(C)C[N@H+](CCC(=O)OC(C)(C)C)Cc1cnn(C(C)C)c1 ZINC000352903813 336375690 /nfs/dbraw/zinc/37/56/90/336375690.db2.gz RQFBDPVXUKNXLC-UHFFFAOYSA-N 1 1 321.465 3.574 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@H]2C2CCC2)cc(OC)c1O ZINC000352932780 336378126 /nfs/dbraw/zinc/37/81/26/336378126.db2.gz BMQWFXUTFIZKNV-KRWDZBQOSA-N 1 1 301.430 3.894 20 30 DHEDMO COc1cccc(C2=CC[N@@H+](Cc3cccc(C#N)c3)CC2)c1 ZINC000352942987 336378491 /nfs/dbraw/zinc/37/84/91/336378491.db2.gz BGUXSMFMOCRZIN-UHFFFAOYSA-N 1 1 304.393 3.856 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2c(OC)ccc3ccccc32)CC1 ZINC000106246133 336389206 /nfs/dbraw/zinc/38/92/06/336389206.db2.gz CPNKIWZSSLOLIG-UHFFFAOYSA-N 1 1 324.468 3.979 20 30 DHEDMO C#CCOc1ccc(C[NH2+][C@H](C)c2csc(CC)n2)cc1 ZINC000113341693 336400590 /nfs/dbraw/zinc/40/05/90/336400590.db2.gz JOIQHAJCOMHJNB-CYBMUJFWSA-N 1 1 300.427 3.568 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc2n[nH]cc2c1 ZINC000353186903 336405891 /nfs/dbraw/zinc/40/58/91/336405891.db2.gz DROLXKNTHMVGMW-LLVKDONJSA-N 1 1 310.788 3.939 20 30 DHEDMO COC(=O)c1occc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000353910931 336447339 /nfs/dbraw/zinc/44/73/39/336447339.db2.gz AYYMNXVOOMWXRZ-MRXNPFEDSA-N 1 1 312.369 3.591 20 30 DHEDMO C[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccc(C#N)cc1F ZINC000358555624 336634475 /nfs/dbraw/zinc/63/44/75/336634475.db2.gz ANPYQANKTRXIOE-CQSZACIVSA-N 1 1 320.371 3.734 20 30 DHEDMO CC[C@@H]([NH2+]CC1(C#N)CC1)c1cc(F)cc(Br)c1 ZINC000362568365 336804415 /nfs/dbraw/zinc/80/44/15/336804415.db2.gz KUZTYFBNOVAEFN-CYBMUJFWSA-N 1 1 311.198 3.933 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@H]1CCCc2n[nH]cc21)c1ccc(F)c(F)c1 ZINC000367527232 336824367 /nfs/dbraw/zinc/82/43/67/336824367.db2.gz MYACQJKPIDTCLK-DOTOQJQBSA-N 1 1 303.356 3.972 20 30 DHEDMO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000375110738 337003551 /nfs/dbraw/zinc/00/35/51/337003551.db2.gz MTPYBMBMXPTNPO-ZFWWWQNUSA-N 1 1 321.346 3.938 20 30 DHEDMO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000375110738 337003552 /nfs/dbraw/zinc/00/35/52/337003552.db2.gz MTPYBMBMXPTNPO-ZFWWWQNUSA-N 1 1 321.346 3.938 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000375120221 337003744 /nfs/dbraw/zinc/00/37/44/337003744.db2.gz IXOCJGXUDFUBQC-CVEARBPZSA-N 1 1 303.450 3.600 20 30 DHEDMO C[C@]1(O)CCCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000375522872 337012695 /nfs/dbraw/zinc/01/26/95/337012695.db2.gz IZVWIYNHOXDFDC-ZACQAIPSSA-N 1 1 304.459 3.525 20 30 DHEDMO COc1cccc(C2(F)CC[NH+](Cc3ccc(C#N)o3)CC2)c1 ZINC000375989270 337024769 /nfs/dbraw/zinc/02/47/69/337024769.db2.gz RFBAYJUGRXIDGI-UHFFFAOYSA-N 1 1 314.360 3.621 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@@H]1CCCc2cccnc21 ZINC000376002118 337025036 /nfs/dbraw/zinc/02/50/36/337025036.db2.gz YCMWXQVVDDNTJJ-GOSISDBHSA-N 1 1 321.424 3.861 20 30 DHEDMO C=CC[C@H](CC)NC(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000376389764 337032404 /nfs/dbraw/zinc/03/24/04/337032404.db2.gz YOFLMKXTPORZPV-HOTGVXAUSA-N 1 1 318.465 3.708 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@H]2CCCc3cccnc32)cc1 ZINC000377246818 337049389 /nfs/dbraw/zinc/04/93/89/337049389.db2.gz WRGKWHUGLLMNCT-KXBFYZLASA-N 1 1 321.424 3.882 20 30 DHEDMO CCCCCCC[C@@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000377407687 337052079 /nfs/dbraw/zinc/05/20/79/337052079.db2.gz BBUBYEGZUZCEFF-NVXWUHKLSA-N 1 1 319.493 3.867 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000377565443 337055250 /nfs/dbraw/zinc/05/52/50/337055250.db2.gz KZKUVAXEPZWANH-DYESRHJHSA-N 1 1 320.436 3.993 20 30 DHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1C[C@@H]2CCCCCC[C@H]21 ZINC000378153994 337067249 /nfs/dbraw/zinc/06/72/49/337067249.db2.gz LCEQCTFPYIKQGE-LSDHHAIUSA-N 1 1 317.458 3.603 20 30 DHEDMO Cn1cc(C[N@H+]2C[C@@H]3CCCCC[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000378501883 337074522 /nfs/dbraw/zinc/07/45/22/337074522.db2.gz ZVIWCGZAAKKGSW-PKOBYXMFSA-N 1 1 320.440 3.723 20 30 DHEDMO Cn1cc(C[N@H+]2C[C@H]3CCCCC[C@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000378501881 337074569 /nfs/dbraw/zinc/07/45/69/337074569.db2.gz ZVIWCGZAAKKGSW-IEBWSBKVSA-N 1 1 320.440 3.723 20 30 DHEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000174799655 337143535 /nfs/dbraw/zinc/14/35/35/337143535.db2.gz MMDDBGNOFYEGRN-UKRRQHHQSA-N 1 1 319.474 3.849 20 30 DHEDMO C=CCCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000175731999 337147126 /nfs/dbraw/zinc/14/71/26/337147126.db2.gz SKVMTBAFCJNUAE-HKUYNNGSSA-N 1 1 314.473 3.854 20 30 DHEDMO C=CCCCC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000175533613 337147673 /nfs/dbraw/zinc/14/76/73/337147673.db2.gz CVFYBGXPTGEFTJ-UHFFFAOYSA-N 1 1 314.473 3.713 20 30 DHEDMO Cc1cc(C)c(NC(=O)C[NH+]2CCC(CCC#N)CC2)c(C)c1 ZINC000514670535 337153658 /nfs/dbraw/zinc/15/36/58/337153658.db2.gz WAQGSVSJVZDNMQ-UHFFFAOYSA-N 1 1 313.445 3.566 20 30 DHEDMO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000177997499 337159708 /nfs/dbraw/zinc/15/97/08/337159708.db2.gz GCMOYDIDUNOHNW-UHFFFAOYSA-N 1 1 322.408 3.514 20 30 DHEDMO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000177997499 337159709 /nfs/dbraw/zinc/15/97/09/337159709.db2.gz GCMOYDIDUNOHNW-UHFFFAOYSA-N 1 1 322.408 3.514 20 30 DHEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000177859202 337160733 /nfs/dbraw/zinc/16/07/33/337160733.db2.gz QFSONYFXSUTMAI-LBPRGKRZSA-N 1 1 314.408 3.808 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000582789144 337166518 /nfs/dbraw/zinc/16/65/18/337166518.db2.gz SJGZKSKZVALETK-ACJLOTCBSA-N 1 1 307.353 3.659 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000582789144 337166519 /nfs/dbraw/zinc/16/65/19/337166519.db2.gz SJGZKSKZVALETK-ACJLOTCBSA-N 1 1 307.353 3.659 20 30 DHEDMO CC[N@@H+](CCCCn1ccnc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000179241007 337168326 /nfs/dbraw/zinc/16/83/26/337168326.db2.gz YNELECKMTFVEQZ-MRXNPFEDSA-N 1 1 310.445 3.927 20 30 DHEDMO CO[C@@H](C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000182282158 337187876 /nfs/dbraw/zinc/18/78/76/337187876.db2.gz FHTJKWLIRLYHAY-HNNXBMFYSA-N 1 1 312.388 3.734 20 30 DHEDMO Cc1ccc[nH+]c1NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000184829562 337200407 /nfs/dbraw/zinc/20/04/07/337200407.db2.gz SPEPYCRKHFDGSX-UHFFFAOYSA-N 1 1 317.396 3.779 20 30 DHEDMO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000583028752 337230742 /nfs/dbraw/zinc/23/07/42/337230742.db2.gz UHIGXVAINOLZLN-HNNXBMFYSA-N 1 1 323.396 3.838 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186654975 337258184 /nfs/dbraw/zinc/25/81/84/337258184.db2.gz CHYNDAOBSISDMD-MGPUTAFESA-N 1 1 304.393 3.751 20 30 DHEDMO C[N@@H+](CCCNc1ccc(C#N)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000321434039 337264955 /nfs/dbraw/zinc/26/49/55/337264955.db2.gz VSJLTHXUHGHBIB-UHFFFAOYSA-N 1 1 316.405 3.533 20 30 DHEDMO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000191105576 337293992 /nfs/dbraw/zinc/29/39/92/337293992.db2.gz CMBNVCNABATQNX-HZPDHXFCSA-N 1 1 318.461 3.662 20 30 DHEDMO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000191105576 337293993 /nfs/dbraw/zinc/29/39/93/337293993.db2.gz CMBNVCNABATQNX-HZPDHXFCSA-N 1 1 318.461 3.662 20 30 DHEDMO C=CC[N@@H+](CCOC)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000191145038 337294493 /nfs/dbraw/zinc/29/44/93/337294493.db2.gz BLNMXUUOPWSVEZ-UHFFFAOYSA-N 1 1 306.793 3.629 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000191145038 337294494 /nfs/dbraw/zinc/29/44/94/337294494.db2.gz BLNMXUUOPWSVEZ-UHFFFAOYSA-N 1 1 306.793 3.629 20 30 DHEDMO C[C@H]1CCSCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000191814417 337300251 /nfs/dbraw/zinc/30/02/51/337300251.db2.gz UBYAXMJGUXYFIZ-HNNXBMFYSA-N 1 1 304.459 3.697 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1F ZINC000191990024 337302684 /nfs/dbraw/zinc/30/26/84/337302684.db2.gz IHQYTRIEPQYLMT-KRWDZBQOSA-N 1 1 324.355 3.763 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1F ZINC000191990024 337302685 /nfs/dbraw/zinc/30/26/85/337302685.db2.gz IHQYTRIEPQYLMT-KRWDZBQOSA-N 1 1 324.355 3.763 20 30 DHEDMO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(CCC#N)CC1 ZINC000583319733 337315288 /nfs/dbraw/zinc/31/52/88/337315288.db2.gz DPMGSGLJMTULBW-LBPRGKRZSA-N 1 1 316.430 3.875 20 30 DHEDMO COc1ccc(CC[C@@H]2CCCC[N@H+]2CCCC#N)cc1OC ZINC000101908237 337386209 /nfs/dbraw/zinc/38/62/09/337386209.db2.gz OYLDEOSWSMCYLZ-KRWDZBQOSA-N 1 1 316.445 3.795 20 30 DHEDMO Cc1csc(C2([NH2+]CC#Cc3ccc(F)cc3)CCC2)n1 ZINC000275170819 337661676 /nfs/dbraw/zinc/66/16/76/337661676.db2.gz LBWBJAPMMVUTCM-UHFFFAOYSA-N 1 1 300.402 3.611 20 30 DHEDMO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cn1 ZINC000542833760 337833329 /nfs/dbraw/zinc/83/33/29/337833329.db2.gz MVHNMRLKOGOMKE-QWHCGFSZSA-N 1 1 300.381 3.887 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C=C)CC1 ZINC000533287273 337838709 /nfs/dbraw/zinc/83/87/09/337838709.db2.gz RWHCRBJTGBUYMK-UHFFFAOYSA-N 1 1 316.470 3.801 20 30 DHEDMO COc1ccc(C[NH+]2CCC(C#N)CC2)cc1OCCC(C)C ZINC000123731928 337843276 /nfs/dbraw/zinc/84/32/76/337843276.db2.gz ZJWIGRMWFMULFZ-UHFFFAOYSA-N 1 1 316.445 3.856 20 30 DHEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Br)s1 ZINC000514774868 337970589 /nfs/dbraw/zinc/97/05/89/337970589.db2.gz VUINYMBWKBQPJI-ZJUUUORDSA-N 1 1 312.236 3.605 20 30 DHEDMO CC[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCS1 ZINC000426444666 338032244 /nfs/dbraw/zinc/03/22/44/338032244.db2.gz JUSPWRFQUJALGY-OAHLLOKOSA-N 1 1 313.388 3.884 20 30 DHEDMO CC[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCS1 ZINC000426444666 338032245 /nfs/dbraw/zinc/03/22/45/338032245.db2.gz JUSPWRFQUJALGY-OAHLLOKOSA-N 1 1 313.388 3.884 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000428249148 338044303 /nfs/dbraw/zinc/04/43/03/338044303.db2.gz RQOSALUCIHHAMT-INIZCTEOSA-N 1 1 302.393 3.621 20 30 DHEDMO N#CCCn1cc(C[N@H+]2CC[C@H]3CCC[C@H]32)c(-c2ccccc2)n1 ZINC000428462733 338053338 /nfs/dbraw/zinc/05/33/38/338053338.db2.gz LYYVAYLTXAWFKX-VQIMIIECSA-N 1 1 320.440 3.838 20 30 DHEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H](C)Cc1ccsc1 ZINC000428470957 338054053 /nfs/dbraw/zinc/05/40/53/338054053.db2.gz UJHNAUSNWRPUQP-CQSZACIVSA-N 1 1 324.453 3.721 20 30 DHEDMO C=C(C)CC[N@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000429359369 338078521 /nfs/dbraw/zinc/07/85/21/338078521.db2.gz ANRJFZATVHYGGH-UHFFFAOYSA-N 1 1 322.452 3.790 20 30 DHEDMO C[C@H]1CN(Cc2ccc(Cl)cc2C#N)CC[N@H+](C2CCC2)C1 ZINC000429369519 338078888 /nfs/dbraw/zinc/07/88/88/338078888.db2.gz ZWKHJRTUXXPUQA-AWEZNQCLSA-N 1 1 317.864 3.518 20 30 DHEDMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1CCC#N ZINC000429407296 338079836 /nfs/dbraw/zinc/07/98/36/338079836.db2.gz VIMGFONGBYROSX-HXUWFJFHSA-N 1 1 313.489 3.565 20 30 DHEDMO Clc1ccccc1C#CC[NH+]1CCC(c2ccncc2)CC1 ZINC000429573602 338084692 /nfs/dbraw/zinc/08/46/92/338084692.db2.gz BEPKLKILZBCVPY-UHFFFAOYSA-N 1 1 310.828 3.966 20 30 DHEDMO C[C@@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000429585965 338085326 /nfs/dbraw/zinc/08/53/26/338085326.db2.gz AUDHXARFWBSXRW-IUODEOHRSA-N 1 1 319.836 3.661 20 30 DHEDMO C=CCc1cc(C[N@H+]2CC3(CCC3)C[C@@H]2C)cc(OC)c1O ZINC000433020041 338176543 /nfs/dbraw/zinc/17/65/43/338176543.db2.gz AXJYWEYVLCGZPJ-AWEZNQCLSA-N 1 1 301.430 3.894 20 30 DHEDMO N#CC1(C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000433294120 338189686 /nfs/dbraw/zinc/18/96/86/338189686.db2.gz JVKAVZHLTFFQIH-CQSZACIVSA-N 1 1 319.246 3.617 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000154418904 338242697 /nfs/dbraw/zinc/24/26/97/338242697.db2.gz YWNVDUIUVJCULD-UHFFFAOYSA-N 1 1 306.409 3.927 20 30 DHEDMO Oc1cccc(C[N@@H+](CC#Cc2ccc(F)cc2)CC2CC2)c1 ZINC000437008874 338297657 /nfs/dbraw/zinc/29/76/57/338297657.db2.gz XBFAOJWDEKTYCZ-UHFFFAOYSA-N 1 1 309.384 3.795 20 30 DHEDMO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437434781 338309985 /nfs/dbraw/zinc/30/99/85/338309985.db2.gz NPWGKRCQCNBWFV-NSHDSACASA-N 1 1 306.312 3.946 20 30 DHEDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437434781 338309986 /nfs/dbraw/zinc/30/99/86/338309986.db2.gz NPWGKRCQCNBWFV-NSHDSACASA-N 1 1 306.312 3.946 20 30 DHEDMO C[N@@H+](Cc1c[nH]nc1-c1ccsc1)Cc1cccc(C#N)c1 ZINC000437596588 338315669 /nfs/dbraw/zinc/31/56/69/338315669.db2.gz ZOJYWTVFZLQXDA-UHFFFAOYSA-N 1 1 308.410 3.642 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000438461053 338344406 /nfs/dbraw/zinc/34/44/06/338344406.db2.gz DAZRBIBZXNMBMR-UHFFFAOYSA-N 1 1 316.470 3.819 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000438482017 338345415 /nfs/dbraw/zinc/34/54/15/338345415.db2.gz ZMTFFAUYCGILBH-HNAYVOBHSA-N 1 1 306.409 3.945 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(C)C)C1 ZINC000438484617 338345694 /nfs/dbraw/zinc/34/56/94/338345694.db2.gz RORWHVUPIZIGRZ-HNNXBMFYSA-N 1 1 318.486 3.881 20 30 DHEDMO O=[N+]([O-])c1cccc(C[N@H+](CC#Cc2ccc(F)cc2)C2CC2)c1 ZINC000438624059 338350231 /nfs/dbraw/zinc/35/02/31/338350231.db2.gz NQWGSYNVPWHCGU-UHFFFAOYSA-N 1 1 324.355 3.750 20 30 DHEDMO O=[N+]([O-])c1cccc(C[N@@H+](CC#Cc2ccc(F)cc2)C2CC2)c1 ZINC000438624059 338350232 /nfs/dbraw/zinc/35/02/32/338350232.db2.gz NQWGSYNVPWHCGU-UHFFFAOYSA-N 1 1 324.355 3.750 20 30 DHEDMO O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000439011025 338358279 /nfs/dbraw/zinc/35/82/79/338358279.db2.gz ZPRFJWOPYBBKRK-HSALFYBXSA-N 1 1 315.432 3.583 20 30 DHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2Cl)C12CCC2 ZINC000439430205 338369020 /nfs/dbraw/zinc/36/90/20/338369020.db2.gz KWPZGAAEPOSTLO-DLBZAZTESA-N 1 1 318.848 3.991 20 30 DHEDMO CC[NH+](CC)CC1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439453254 338370046 /nfs/dbraw/zinc/37/00/46/338370046.db2.gz POSCRWBBWHJJLJ-UHFFFAOYSA-N 1 1 319.880 3.765 20 30 DHEDMO C=C(C)C[N@@H+](C)CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000440520975 338389019 /nfs/dbraw/zinc/38/90/19/338389019.db2.gz WUKMNRVMTAOZDF-UHFFFAOYSA-N 1 1 320.436 3.958 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000440520975 338389020 /nfs/dbraw/zinc/38/90/20/338389020.db2.gz WUKMNRVMTAOZDF-UHFFFAOYSA-N 1 1 320.436 3.958 20 30 DHEDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000440763970 338396594 /nfs/dbraw/zinc/39/65/94/338396594.db2.gz UCFOLNDCUQPVPS-LRDDRELGSA-N 1 1 317.433 3.607 20 30 DHEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440912658 338399804 /nfs/dbraw/zinc/39/98/04/338399804.db2.gz IYZKZHUUIWIKHI-MRXNPFEDSA-N 1 1 312.413 3.593 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1ccc(C#N)cc1F ZINC000447582542 338559147 /nfs/dbraw/zinc/55/91/47/338559147.db2.gz WYADSUQCFLTWQY-ZDUSSCGKSA-N 1 1 309.388 3.822 20 30 DHEDMO CCC(CC)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)N1CCCC1 ZINC000449078460 338591259 /nfs/dbraw/zinc/59/12/59/338591259.db2.gz XSNMEDBRPOSIFK-JLAWEPINSA-N 1 1 305.510 3.949 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449244485 338606097 /nfs/dbraw/zinc/60/60/97/338606097.db2.gz SUKOCWAEQYSKPF-JTQLQIEISA-N 1 1 307.369 3.870 20 30 DHEDMO CC(C)(C)CC(C)(C)[NH+]1CCC(NCC2(CC#N)CC2)CC1 ZINC000449299006 338610792 /nfs/dbraw/zinc/61/07/92/338610792.db2.gz JYQZPGHMZPQOFA-UHFFFAOYSA-N 1 1 305.510 3.949 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1Cl ZINC000449572085 338638944 /nfs/dbraw/zinc/63/89/44/338638944.db2.gz MRRIYWFQFBRGRM-SWLSCSKDSA-N 1 1 317.820 3.897 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451357749 338731082 /nfs/dbraw/zinc/73/10/82/338731082.db2.gz UGGWFZPCXFJBMH-ZBEGNZNMSA-N 1 1 305.784 3.963 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000451950281 338748779 /nfs/dbraw/zinc/74/87/79/338748779.db2.gz GHCHVHIPOFTTPB-HNNXBMFYSA-N 1 1 317.383 3.663 20 30 DHEDMO C=CCC(C)(C)CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458627919 339002078 /nfs/dbraw/zinc/00/20/78/339002078.db2.gz HEGQHFCFDITPHV-CVEARBPZSA-N 1 1 321.509 3.541 20 30 DHEDMO C=CCN(CC1CCCCC1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000459159913 339014997 /nfs/dbraw/zinc/01/49/97/339014997.db2.gz OMVNVYQPKKBCIG-UHFFFAOYSA-N 1 1 321.509 3.639 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000459279307 339018941 /nfs/dbraw/zinc/01/89/41/339018941.db2.gz LRYYXNJBVFJDNV-KRWDZBQOSA-N 1 1 307.353 3.804 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000459279307 339018942 /nfs/dbraw/zinc/01/89/42/339018942.db2.gz LRYYXNJBVFJDNV-KRWDZBQOSA-N 1 1 307.353 3.804 20 30 DHEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459346227 339023447 /nfs/dbraw/zinc/02/34/47/339023447.db2.gz PYOHFTKUUJRBQB-PBHICJAKSA-N 1 1 321.380 3.844 20 30 DHEDMO CCS[C@H]1CCCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459351893 339023810 /nfs/dbraw/zinc/02/38/10/339023810.db2.gz UTGYCIGRCRIJIS-AWEZNQCLSA-N 1 1 319.430 3.574 20 30 DHEDMO CCS[C@H]1CCCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459351893 339023811 /nfs/dbraw/zinc/02/38/11/339023811.db2.gz UTGYCIGRCRIJIS-AWEZNQCLSA-N 1 1 319.430 3.574 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459559574 339035723 /nfs/dbraw/zinc/03/57/23/339035723.db2.gz LACPZVBLWTUJMI-AUUYWEPGSA-N 1 1 314.429 3.673 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459667854 339041771 /nfs/dbraw/zinc/04/17/71/339041771.db2.gz SLRXCUCJXFVEOJ-CYBMUJFWSA-N 1 1 318.383 3.607 20 30 DHEDMO O[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C1CCCC1 ZINC000459799418 339049120 /nfs/dbraw/zinc/04/91/20/339049120.db2.gz XCJXNRGJRVTMKK-RBUKOAKNSA-N 1 1 317.860 3.565 20 30 DHEDMO C[C@H](C[N@@H+](C)[C@H](C)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000459810144 339049476 /nfs/dbraw/zinc/04/94/76/339049476.db2.gz PWGXDRWHXSBHAO-ZIAGYGMSSA-N 1 1 302.418 3.529 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000464527756 339144300 /nfs/dbraw/zinc/14/43/00/339144300.db2.gz RQDXEPFWEHTHDD-LPHOPBHVSA-N 1 1 314.473 3.542 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C[C@@H]2CCOC2)C(C)(C)C)cc1 ZINC000464688463 339148873 /nfs/dbraw/zinc/14/88/73/339148873.db2.gz LHIXMNQBPMCQLK-KRWDZBQOSA-N 1 1 303.446 3.888 20 30 DHEDMO C=CCC[N@H+](C)Cc1csc(-c2cccc(C(=O)OC)c2)n1 ZINC000467301675 339230423 /nfs/dbraw/zinc/23/04/23/339230423.db2.gz QBXCWTQCYLYUBR-UHFFFAOYSA-N 1 1 316.426 3.605 20 30 DHEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000467305079 339230754 /nfs/dbraw/zinc/23/07/54/339230754.db2.gz RBPFAIDPAAJTEO-SNVBAGLBSA-N 1 1 301.217 3.828 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)cc1 ZINC000467547949 339241939 /nfs/dbraw/zinc/24/19/39/339241939.db2.gz WHOBQGYHRVFXGC-IBGZPJMESA-N 1 1 311.429 3.712 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000468107670 339254164 /nfs/dbraw/zinc/25/41/64/339254164.db2.gz GYWCCJLCIVDFMF-VDZJLULYSA-N 1 1 300.446 3.540 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000469477921 339290885 /nfs/dbraw/zinc/29/08/85/339290885.db2.gz LRIYDUKXJRYORM-HKUYNNGSSA-N 1 1 316.489 3.862 20 30 DHEDMO C=CCOCCC[N@H+](C)CCc1ccc(Br)cc1 ZINC000470756678 339326908 /nfs/dbraw/zinc/32/69/08/339326908.db2.gz PBFUHZNBANPKRD-UHFFFAOYSA-N 1 1 312.251 3.516 20 30 DHEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000470941672 339331865 /nfs/dbraw/zinc/33/18/65/339331865.db2.gz XVPGKROAOIWHAN-JOYOIKCWSA-N 1 1 302.727 3.984 20 30 DHEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000470941672 339331866 /nfs/dbraw/zinc/33/18/66/339331866.db2.gz XVPGKROAOIWHAN-JOYOIKCWSA-N 1 1 302.727 3.984 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000472686781 339376300 /nfs/dbraw/zinc/37/63/00/339376300.db2.gz XRGMXOIZVWIFGL-LBPRGKRZSA-N 1 1 300.229 3.679 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000472686781 339376301 /nfs/dbraw/zinc/37/63/01/339376301.db2.gz XRGMXOIZVWIFGL-LBPRGKRZSA-N 1 1 300.229 3.679 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000472749805 339376831 /nfs/dbraw/zinc/37/68/31/339376831.db2.gz LUQYJCJYXVKYHH-PKOBYXMFSA-N 1 1 303.446 3.939 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000472749804 339376959 /nfs/dbraw/zinc/37/69/59/339376959.db2.gz LUQYJCJYXVKYHH-MJGOQNOKSA-N 1 1 303.446 3.939 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000472776233 339377412 /nfs/dbraw/zinc/37/74/12/339377412.db2.gz USPDQWJFEOJCTB-HZPDHXFCSA-N 1 1 324.262 3.913 20 30 DHEDMO COc1ccc(C2([NH2+]Cc3ccc(Cl)cc3C#N)CC2)cc1 ZINC000480905412 339590286 /nfs/dbraw/zinc/59/02/86/339590286.db2.gz XSVFAMZKECFTIV-UHFFFAOYSA-N 1 1 312.800 3.999 20 30 DHEDMO C#C[C@H](CC)NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000491141872 339850655 /nfs/dbraw/zinc/85/06/55/339850655.db2.gz BWAZBLLMNXJTKX-MRXNPFEDSA-N 1 1 324.428 3.588 20 30 DHEDMO C[C@@H](CC#N)[N@@H+](C)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000496207820 340000523 /nfs/dbraw/zinc/00/05/23/340000523.db2.gz PWZALGWMEONEPL-JYJNAYRXSA-N 1 1 323.481 3.551 20 30 DHEDMO CN(CC[N@@H+](C)CCCCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000496282011 340002152 /nfs/dbraw/zinc/00/21/52/340002152.db2.gz IHTUZBJLGBDUNE-UHFFFAOYSA-N 1 1 311.470 3.505 20 30 DHEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2c2cccc(Cl)c2)C1=O ZINC000499736821 340043853 /nfs/dbraw/zinc/04/38/53/340043853.db2.gz XCCPYWYEZVLZGR-IRXDYDNUSA-N 1 1 318.848 3.654 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2c2cccc(Cl)c2)C1=O ZINC000499736821 340043854 /nfs/dbraw/zinc/04/38/54/340043854.db2.gz XCCPYWYEZVLZGR-IRXDYDNUSA-N 1 1 318.848 3.654 20 30 DHEDMO N#CC1(C[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)CC1 ZINC000501531156 340082927 /nfs/dbraw/zinc/08/29/27/340082927.db2.gz JLSACYXEKKDIIG-CQSZACIVSA-N 1 1 304.821 3.735 20 30 DHEDMO N#CC1(C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)CC1 ZINC000501531156 340082928 /nfs/dbraw/zinc/08/29/28/340082928.db2.gz JLSACYXEKKDIIG-CQSZACIVSA-N 1 1 304.821 3.735 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000502446360 340103950 /nfs/dbraw/zinc/10/39/50/340103950.db2.gz BFNBMTDAIMMIAL-YQVWRLOYSA-N 1 1 314.473 3.758 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000502446360 340103951 /nfs/dbraw/zinc/10/39/51/340103951.db2.gz BFNBMTDAIMMIAL-YQVWRLOYSA-N 1 1 314.473 3.758 20 30 DHEDMO CCCOc1ccc(OCC[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000506133773 340186354 /nfs/dbraw/zinc/18/63/54/340186354.db2.gz BWXILJVTPWUFIR-UHFFFAOYSA-N 1 1 324.424 3.858 20 30 DHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC000507022537 340205682 /nfs/dbraw/zinc/20/56/82/340205682.db2.gz OXQGNAWHQUCCHR-GDBMZVCRSA-N 1 1 309.388 3.945 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000507206436 340213253 /nfs/dbraw/zinc/21/32/53/340213253.db2.gz OEFMPCAMDCIBKF-QZTJIDSGSA-N 1 1 314.473 3.597 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCO[C@H](CC)C1 ZINC000507779025 340231065 /nfs/dbraw/zinc/23/10/65/340231065.db2.gz TYQSNCBSQXMOHI-FUHWJXTLSA-N 1 1 318.417 3.788 20 30 DHEDMO C=C(C)CC[NH2+][C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000509032134 340258884 /nfs/dbraw/zinc/25/88/84/340258884.db2.gz MFJAQAYCYZGULE-INIZCTEOSA-N 1 1 319.468 3.584 20 30 DHEDMO C=C(C)CC[N@H+](CCC)CC(=O)Nc1ccc(F)c(F)c1F ZINC000509247196 340264483 /nfs/dbraw/zinc/26/44/83/340264483.db2.gz MIHQTYOIAZLKHV-UHFFFAOYSA-N 1 1 314.351 3.721 20 30 DHEDMO COc1cc(C#N)ccc1OCC[NH2+]C1(C(F)F)CCCCC1 ZINC000510080591 340287793 /nfs/dbraw/zinc/28/77/93/340287793.db2.gz XUNWVROJSIGDBY-UHFFFAOYSA-N 1 1 324.371 3.503 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)s1 ZINC000510403477 340298111 /nfs/dbraw/zinc/29/81/11/340298111.db2.gz IANLYRMGDXTYGS-OAHLLOKOSA-N 1 1 300.402 3.966 20 30 DHEDMO N#Cc1cc(F)ccc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303089391 340301197 /nfs/dbraw/zinc/30/11/97/340301197.db2.gz NLEGPGVGERVVCM-GOSISDBHSA-N 1 1 309.388 3.774 20 30 DHEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510576126 340303160 /nfs/dbraw/zinc/30/31/60/340303160.db2.gz BXQMHBITXGEZNC-IBGZPJMESA-N 1 1 314.473 3.556 20 30 DHEDMO C=CC[N@H+](C[C@H](O)COc1ccccc1F)CC1CCCCC1 ZINC000303426919 340325243 /nfs/dbraw/zinc/32/52/43/340325243.db2.gz CDOLBMYIUNLBPN-KRWDZBQOSA-N 1 1 321.436 3.634 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000303576707 340335086 /nfs/dbraw/zinc/33/50/86/340335086.db2.gz ZLGZGEZVPODUBU-LJQANCHMSA-N 1 1 300.446 3.516 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000512263399 340354634 /nfs/dbraw/zinc/35/46/34/340354634.db2.gz SJGWSPBKXLGATK-HNNXBMFYSA-N 1 1 319.408 3.722 20 30 DHEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000512415680 340361135 /nfs/dbraw/zinc/36/11/35/340361135.db2.gz NYZSUHZXBKQQAJ-NVXWUHKLSA-N 1 1 305.849 3.707 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000512604091 340368539 /nfs/dbraw/zinc/36/85/39/340368539.db2.gz DOMCDDNATRXLDR-IBGZPJMESA-N 1 1 308.425 3.938 20 30 DHEDMO C[C@H](N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512610541 340368892 /nfs/dbraw/zinc/36/88/92/340368892.db2.gz CBDSAEGQAVOHKY-KPOBHBOGSA-N 1 1 323.415 3.793 20 30 DHEDMO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512610541 340368893 /nfs/dbraw/zinc/36/88/93/340368893.db2.gz CBDSAEGQAVOHKY-KPOBHBOGSA-N 1 1 323.415 3.793 20 30 DHEDMO CCC(CC)[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)N(C)C ZINC000512621037 340369398 /nfs/dbraw/zinc/36/93/98/340369398.db2.gz URQIDNOZAZXBNK-ACJLOTCBSA-N 1 1 305.441 3.714 20 30 DHEDMO C[C@H](NC[C@H](C)[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512621556 340369573 /nfs/dbraw/zinc/36/95/73/340369573.db2.gz ZGWWLJLOGRTABJ-KKUMJFAQSA-N 1 1 303.425 3.611 20 30 DHEDMO C[C@H]([NH2+]C[C@H](C)N1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000512621556 340369574 /nfs/dbraw/zinc/36/95/74/340369574.db2.gz ZGWWLJLOGRTABJ-KKUMJFAQSA-N 1 1 303.425 3.611 20 30 DHEDMO C[C@H]([NH2+]C[C@]1(N(C)C)CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000512634843 340370240 /nfs/dbraw/zinc/37/02/40/340370240.db2.gz FHCGMQUFESCULV-VCBZYWHSSA-N 1 1 317.452 3.858 20 30 DHEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404085297 340377565 /nfs/dbraw/zinc/37/75/65/340377565.db2.gz RBVXSXULXDJDEY-CYBMUJFWSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CCN1CCCC(C)(C)C#N ZINC000174819303 340396648 /nfs/dbraw/zinc/39/66/48/340396648.db2.gz NWYOGWKIQBNZSX-QGZVFWFLSA-N 1 1 318.509 3.652 20 30 DHEDMO C[C@@H]1CN(CCCC(C)(C)C#N)CC[N@@H+]1CCCC(C)(C)C#N ZINC000174819303 340396649 /nfs/dbraw/zinc/39/66/49/340396649.db2.gz NWYOGWKIQBNZSX-QGZVFWFLSA-N 1 1 318.509 3.652 20 30 DHEDMO C[C@@H]1CN(CCCC(C)(C)C#N)CC[N@H+]1CCCC(C)(C)C#N ZINC000174819303 340396650 /nfs/dbraw/zinc/39/66/50/340396650.db2.gz NWYOGWKIQBNZSX-QGZVFWFLSA-N 1 1 318.509 3.652 20 30 DHEDMO Cn1c2ccccc2nc1C(C)(C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000186568514 340514419 /nfs/dbraw/zinc/51/44/19/340514419.db2.gz HDBSDGFMMFVOLJ-UHFFFAOYSA-N 1 1 321.399 3.589 20 30 DHEDMO Fc1ccc(OC2CC[NH+](CC#Cc3ccccc3)CC2)cc1 ZINC000192028224 340561099 /nfs/dbraw/zinc/56/10/99/340561099.db2.gz YRUMMRJTDAWHCJ-UHFFFAOYSA-N 1 1 309.384 3.721 20 30 DHEDMO COc1ccc(C#N)cc1C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000528661120 340728475 /nfs/dbraw/zinc/72/84/75/340728475.db2.gz SWHPWLKGJOGVCG-IBGZPJMESA-N 1 1 307.397 3.593 20 30 DHEDMO C[C@@H](C[NH+]1CCC(C#N)CC1)c1cccc(Br)c1 ZINC000123765659 340794722 /nfs/dbraw/zinc/79/47/22/340794722.db2.gz CUYILMDMVYUBES-LBPRGKRZSA-N 1 1 307.235 3.788 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2C[C@H](C)CC(C)(C)C2)c(C#N)c1C ZINC000543181199 341035565 /nfs/dbraw/zinc/03/55/65/341035565.db2.gz DBXMWUQCGALPNS-LLVKDONJSA-N 1 1 319.474 3.543 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)CC(C)(C)C2)c(C#N)c1C ZINC000543181199 341035566 /nfs/dbraw/zinc/03/55/66/341035566.db2.gz DBXMWUQCGALPNS-LLVKDONJSA-N 1 1 319.474 3.543 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000543186740 341035769 /nfs/dbraw/zinc/03/57/69/341035769.db2.gz MOVATSZAZGBRGI-LJQANCHMSA-N 1 1 306.409 3.654 20 30 DHEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](COC)Cc1ccccc1 ZINC000543209119 341036892 /nfs/dbraw/zinc/03/68/92/341036892.db2.gz YLJBLQDAYLCCHZ-OAQYLSRUSA-N 1 1 322.452 3.832 20 30 DHEDMO N#Cc1ccc(C[N@@H+](CCCOc2ccccc2)C2CC2)cc1 ZINC000543245094 341037912 /nfs/dbraw/zinc/03/79/12/341037912.db2.gz NWWAWIFNZFVCRX-UHFFFAOYSA-N 1 1 306.409 3.992 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)cc1C#N ZINC000543247513 341038168 /nfs/dbraw/zinc/03/81/68/341038168.db2.gz DLWPTNFGGPXKAR-GOSISDBHSA-N 1 1 306.409 3.865 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCOc2ccccc2F)C2CC2)cc1 ZINC000543248802 341038216 /nfs/dbraw/zinc/03/82/16/341038216.db2.gz LJYNJXOYPXKGOD-UHFFFAOYSA-N 1 1 310.372 3.741 20 30 DHEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000072775001 341105280 /nfs/dbraw/zinc/10/52/80/341105280.db2.gz RMMKVFIMEFJSQE-CRAIPNDOSA-N 1 1 313.445 3.787 20 30 DHEDMO N#Cc1ccc2ncc(C[N@@H+](Cc3ccco3)C3CCCC3)n2c1 ZINC000132169854 341117822 /nfs/dbraw/zinc/11/78/22/341117822.db2.gz TZLQQQZNSAKFOC-UHFFFAOYSA-N 1 1 320.396 3.744 20 30 DHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000073618357 341119239 /nfs/dbraw/zinc/11/92/39/341119239.db2.gz HLKXUKNLBLKAFF-SWLSCSKDSA-N 1 1 319.836 3.661 20 30 DHEDMO CC(C)[C@H](C[NH2+]Cc1cc(C#N)cs1)N1CCCCCC1 ZINC000236676349 341193916 /nfs/dbraw/zinc/19/39/16/341193916.db2.gz FPZRMFBRFMBGFC-KRWDZBQOSA-N 1 1 305.491 3.610 20 30 DHEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000134218870 341209803 /nfs/dbraw/zinc/20/98/03/341209803.db2.gz PHCICNKUHFBKBX-BFUOFWGJSA-N 1 1 310.372 3.521 20 30 DHEDMO CC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@@H](C)c1cccc(O)c1 ZINC000135127951 341231746 /nfs/dbraw/zinc/23/17/46/341231746.db2.gz IDRHOFMAKMZKEB-AWEZNQCLSA-N 1 1 310.397 3.856 20 30 DHEDMO N#Cc1ccc(OCC[N@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000078705040 341246398 /nfs/dbraw/zinc/24/63/98/341246398.db2.gz ZQZZZTAKLJHHIJ-UHFFFAOYSA-N 1 1 324.399 3.783 20 30 DHEDMO C[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000548308922 341255371 /nfs/dbraw/zinc/25/53/71/341255371.db2.gz AJJUSGYFLUZKGP-CYBMUJFWSA-N 1 1 323.371 3.519 20 30 DHEDMO COc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)c(Cl)c1 ZINC000080069390 341269188 /nfs/dbraw/zinc/26/91/88/341269188.db2.gz UHXCUNDQGWGRBY-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(Cl)c1 ZINC000080069390 341269189 /nfs/dbraw/zinc/26/91/89/341269189.db2.gz UHXCUNDQGWGRBY-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO C[C@H](CC[NH2+]Cc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000080206560 341270725 /nfs/dbraw/zinc/27/07/25/341270725.db2.gz BIAOYXIVUHCRAV-QGZVFWFLSA-N 1 1 307.441 3.558 20 30 DHEDMO C[C@H](CC[NH2+]Cc1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000080206560 341270727 /nfs/dbraw/zinc/27/07/27/341270727.db2.gz BIAOYXIVUHCRAV-QGZVFWFLSA-N 1 1 307.441 3.558 20 30 DHEDMO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)C2CCCCC2)c(C#N)c1C ZINC000549159402 341287552 /nfs/dbraw/zinc/28/75/52/341287552.db2.gz HYGUGHBWKUBJFI-CYBMUJFWSA-N 1 1 317.433 3.607 20 30 DHEDMO Cc1cc(Br)cc2c1C[N@@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000549535929 341296700 /nfs/dbraw/zinc/29/67/00/341296700.db2.gz MDIGQFJHSSGVPJ-SWLSCSKDSA-N 1 1 319.246 3.808 20 30 DHEDMO Cc1cc(Br)cc2c1C[N@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000549535929 341296701 /nfs/dbraw/zinc/29/67/01/341296701.db2.gz MDIGQFJHSSGVPJ-SWLSCSKDSA-N 1 1 319.246 3.808 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000081574062 341297294 /nfs/dbraw/zinc/29/72/94/341297294.db2.gz FESDLPXDCGDQLS-QRWLVFNGSA-N 1 1 322.408 3.639 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245598600 341304463 /nfs/dbraw/zinc/30/44/63/341304463.db2.gz DMUXPBOGYLRIID-UZLBHIALSA-N 1 1 306.409 3.563 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000245598600 341304464 /nfs/dbraw/zinc/30/44/64/341304464.db2.gz DMUXPBOGYLRIID-UZLBHIALSA-N 1 1 306.409 3.563 20 30 DHEDMO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cn2ccccc2n1 ZINC000550930923 341327081 /nfs/dbraw/zinc/32/70/81/341327081.db2.gz MSCINUIMBXGSFI-AWEZNQCLSA-N 1 1 302.381 3.546 20 30 DHEDMO CC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000247092467 341361014 /nfs/dbraw/zinc/36/10/14/341361014.db2.gz JGBVQINBYGYAIB-ZIAGYGMSSA-N 1 1 319.474 3.607 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000249412999 341397359 /nfs/dbraw/zinc/39/73/59/341397359.db2.gz YJCBYWOEAKKNQL-MOXGXCLJSA-N 1 1 309.457 3.568 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000249412999 341397364 /nfs/dbraw/zinc/39/73/64/341397364.db2.gz YJCBYWOEAKKNQL-MOXGXCLJSA-N 1 1 309.457 3.568 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000249412999 341397365 /nfs/dbraw/zinc/39/73/65/341397365.db2.gz YJCBYWOEAKKNQL-MOXGXCLJSA-N 1 1 309.457 3.568 20 30 DHEDMO CCc1ccc(-c2noc(C[NH+]3CCC(CCC#N)CC3)n2)cc1 ZINC000567381899 341600202 /nfs/dbraw/zinc/60/02/02/341600202.db2.gz QGQGHDVHCZNXJT-UHFFFAOYSA-N 1 1 324.428 3.815 20 30 DHEDMO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1cscn1 ZINC000576958532 341872123 /nfs/dbraw/zinc/87/21/23/341872123.db2.gz MKWVYIXIAGKENW-ZDUSSCGKSA-N 1 1 301.415 3.676 20 30 DHEDMO COc1cc(F)c([C@H](C)[NH2+]Cc2cc(C#N)cs2)cc1OC ZINC000177701672 341924297 /nfs/dbraw/zinc/92/42/97/341924297.db2.gz LKZKWYJOCDBIOR-JTQLQIEISA-N 1 1 320.389 3.627 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)c(F)c1 ZINC000178993229 341975951 /nfs/dbraw/zinc/97/59/51/341975951.db2.gz ICVUDNAPWIIRCU-UHFFFAOYSA-N 1 1 324.277 3.728 20 30 DHEDMO C=C(C)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020805842 518603227 /nfs/dbraw/zinc/60/32/27/518603227.db2.gz USEUWFHXYZIVAQ-UHFFFAOYSA-N 1 1 306.453 3.970 20 30 DHEDMO CC(C)(C)[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266525298 518976028 /nfs/dbraw/zinc/97/60/28/518976028.db2.gz JXSQWGRELUTKSH-OAHLLOKOSA-N 1 1 310.401 3.619 20 30 DHEDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)o2)cc1OCC ZINC000236889562 521258631 /nfs/dbraw/zinc/25/86/31/521258631.db2.gz JKQOASLSQBDHKL-ZDUSSCGKSA-N 1 1 314.385 3.799 20 30 DHEDMO CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@H]1CCCc2cccnc21 ZINC000365003913 521286136 /nfs/dbraw/zinc/28/61/36/521286136.db2.gz RUXAXWSJBZHZTJ-SFHVURJKSA-N 1 1 321.424 3.861 20 30 DHEDMO COCCCOc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000130790032 523416298 /nfs/dbraw/zinc/41/62/98/523416298.db2.gz APXULNUGFLGLMQ-UHFFFAOYSA-N 1 1 324.424 3.606 20 30 DHEDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000366344437 525308461 /nfs/dbraw/zinc/30/84/61/525308461.db2.gz WQKHJVQHFXLZBR-NRFANRHFSA-N 1 1 320.436 3.962 20 30 DHEDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000366344438 525882302 /nfs/dbraw/zinc/88/23/02/525882302.db2.gz WQKHJVQHFXLZBR-OAQYLSRUSA-N 1 1 320.436 3.962 20 30 DHEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000180285205 526069678 /nfs/dbraw/zinc/06/96/78/526069678.db2.gz FFTNBSZHZWWSBI-GTJPDFRWSA-N 1 1 318.467 3.550 20 30 DHEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000180285205 526069692 /nfs/dbraw/zinc/06/96/92/526069692.db2.gz FFTNBSZHZWWSBI-GTJPDFRWSA-N 1 1 318.467 3.550 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1 ZINC000180552509 526252181 /nfs/dbraw/zinc/25/21/81/526252181.db2.gz TVVVUWPSZLYAGO-AWEZNQCLSA-N 1 1 322.412 3.513 20 30 DHEDMO Cc1csc(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)n1 ZINC000156694514 526330100 /nfs/dbraw/zinc/33/01/00/526330100.db2.gz UGCDOSXHRJJQJB-UHFFFAOYSA-N 1 1 315.417 3.842 20 30 DHEDMO N#Cc1cc(C(F)(F)F)ccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267034856 526547205 /nfs/dbraw/zinc/54/72/05/526547205.db2.gz LVWIBMRTUYSLCY-UHFFFAOYSA-N 1 1 320.318 3.684 20 30 DHEDMO C=CCOc1ccc(CNC[C@H]2CCCC[N@H+]2CC)cc1Cl ZINC000517710857 1013055267 /nfs/dbraw/zinc/05/52/67/1013055267.db2.gz BUXGUESCOHOYEG-MRXNPFEDSA-N 1 1 322.880 3.869 20 30 DHEDMO C=CCOc1ccc(CNC[C@H]2CCCC[N@@H+]2CC)cc1Cl ZINC000517710857 1013055284 /nfs/dbraw/zinc/05/52/84/1013055284.db2.gz BUXGUESCOHOYEG-MRXNPFEDSA-N 1 1 322.880 3.869 20 30 DHEDMO C[C@@]1(Cc2cccc(F)c2)CCC[N@H+]1CCCSCC#N ZINC000517931081 1013099109 /nfs/dbraw/zinc/09/91/09/1013099109.db2.gz WCPBGVKYAMWSTG-KRWDZBQOSA-N 1 1 306.450 3.870 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(OC)c1OC ZINC000120720363 1013103776 /nfs/dbraw/zinc/10/37/76/1013103776.db2.gz HMIVDGFPLHWGDD-UHFFFAOYSA-N 1 1 324.424 3.988 20 30 DHEDMO C=CCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H](F)C1 ZINC001209423695 1013257261 /nfs/dbraw/zinc/25/72/61/1013257261.db2.gz XSOGXYVXIHMODG-OAHLLOKOSA-N 1 1 314.445 3.624 20 30 DHEDMO C=CCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H](F)C1 ZINC001209423695 1013257269 /nfs/dbraw/zinc/25/72/69/1013257269.db2.gz XSOGXYVXIHMODG-OAHLLOKOSA-N 1 1 314.445 3.624 20 30 DHEDMO C=CCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H](F)C1 ZINC001209423692 1013259792 /nfs/dbraw/zinc/25/97/92/1013259792.db2.gz XSOGXYVXIHMODG-HNNXBMFYSA-N 1 1 314.445 3.624 20 30 DHEDMO C=CCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H](F)C1 ZINC001209423692 1013259803 /nfs/dbraw/zinc/25/98/03/1013259803.db2.gz XSOGXYVXIHMODG-HNNXBMFYSA-N 1 1 314.445 3.624 20 30 DHEDMO C=CCCCCC[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC001209430816 1013270722 /nfs/dbraw/zinc/27/07/22/1013270722.db2.gz DCCYBHFGBSAUOH-MSOLQXFVSA-N 1 1 301.430 3.621 20 30 DHEDMO C=CCCCCCC[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001209436011 1013279251 /nfs/dbraw/zinc/27/92/51/1013279251.db2.gz MFLZBUSIVVDPGQ-UHFFFAOYSA-N 1 1 312.461 3.602 20 30 DHEDMO COc1cccc(COc2ccc(C[NH2+]C[C@H](C)C#N)cc2)c1 ZINC000894453685 1013369221 /nfs/dbraw/zinc/36/92/21/1013369221.db2.gz WHYRPRROFZMPRD-OAHLLOKOSA-N 1 1 310.397 3.523 20 30 DHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC(C)(C)CO1 ZINC001167241376 1013436453 /nfs/dbraw/zinc/43/64/53/1013436453.db2.gz ZOVXGBBCEDLFQQ-GOSISDBHSA-N 1 1 300.446 3.831 20 30 DHEDMO C=C(C)c1cccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)c1 ZINC000890890322 1013592335 /nfs/dbraw/zinc/59/23/35/1013592335.db2.gz QBQUNAJLJAIUJZ-UHFFFAOYSA-N 1 1 311.385 3.556 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)nc(Cl)c1 ZINC000049000436 1013650169 /nfs/dbraw/zinc/65/01/69/1013650169.db2.gz MKAHTMSGRAXEGE-UHFFFAOYSA-N 1 1 306.196 3.892 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)nc(Cl)c1 ZINC000049000436 1013650185 /nfs/dbraw/zinc/65/01/85/1013650185.db2.gz MKAHTMSGRAXEGE-UHFFFAOYSA-N 1 1 306.196 3.892 20 30 DHEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000441035362 1013656940 /nfs/dbraw/zinc/65/69/40/1013656940.db2.gz CWIZDYJEBZMDTC-QRWLVFNGSA-N 1 1 309.384 3.501 20 30 DHEDMO C[C@@H](NC(C)(C)C[NH2+]Cc1ccc(C#N)s1)c1ccccc1 ZINC000176969556 1013692149 /nfs/dbraw/zinc/69/21/49/1013692149.db2.gz CIIAWMLBTPXIMD-CQSZACIVSA-N 1 1 313.470 3.839 20 30 DHEDMO Cc1cccc2c1ncc(C#N)c2N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000610282728 1013718471 /nfs/dbraw/zinc/71/84/71/1013718471.db2.gz MOYPGVUCWAHSHY-KRWDZBQOSA-N 1 1 322.456 3.726 20 30 DHEDMO Cc1ccnc(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1C#N ZINC000343507426 1013722165 /nfs/dbraw/zinc/72/21/65/1013722165.db2.gz IKOKXKGQCWRBJW-MRXNPFEDSA-N 1 1 308.429 3.584 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000150880527 1013754473 /nfs/dbraw/zinc/75/44/73/1013754473.db2.gz REJSAPDGQZQYOQ-UHFFFAOYSA-N 1 1 319.405 3.520 20 30 DHEDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1coc(C2CCCCC2)n1 ZINC000328728921 1013797510 /nfs/dbraw/zinc/79/75/10/1013797510.db2.gz FETMGESDYXVKMG-AWEZNQCLSA-N 1 1 305.422 3.511 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1snc(Cl)c1C#N ZINC000048560427 1013828085 /nfs/dbraw/zinc/82/80/85/1013828085.db2.gz TUWRQSSTDMINFX-LLVKDONJSA-N 1 1 312.870 3.735 20 30 DHEDMO CCc1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cnn1C(CC)CC ZINC000331087848 1013856212 /nfs/dbraw/zinc/85/62/12/1013856212.db2.gz RFEOYAYVLRBFNH-UONOGXRCSA-N 1 1 320.481 3.594 20 30 DHEDMO CC[C@H](C)n1ncc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1C ZINC000331072353 1013854716 /nfs/dbraw/zinc/85/47/16/1013854716.db2.gz DYBOVXUPQFRVRM-GOEBONIOSA-N 1 1 320.481 3.588 20 30 DHEDMO CC1(C)C[N@H+](CC#Cc2ccc(Cl)cc2)[C@H]1[C@@H]1CCCO1 ZINC000580009451 1013866253 /nfs/dbraw/zinc/86/62/53/1013866253.db2.gz GFVXFSCCPVFFPB-IRXDYDNUSA-N 1 1 303.833 3.581 20 30 DHEDMO CC1(C)C[N@@H+](CC#Cc2ccc(Cl)cc2)[C@H]1[C@@H]1CCCO1 ZINC000580009451 1013866257 /nfs/dbraw/zinc/86/62/57/1013866257.db2.gz GFVXFSCCPVFFPB-IRXDYDNUSA-N 1 1 303.833 3.581 20 30 DHEDMO COc1cc(C)cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1O ZINC000895055647 1013879298 /nfs/dbraw/zinc/87/92/98/1013879298.db2.gz SNQYGNSTGJGABM-CQSZACIVSA-N 1 1 310.397 3.774 20 30 DHEDMO COc1cc(C)cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1O ZINC000895055646 1013879771 /nfs/dbraw/zinc/87/97/71/1013879771.db2.gz SNQYGNSTGJGABM-AWEZNQCLSA-N 1 1 310.397 3.774 20 30 DHEDMO Cn1cc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)s2)cc1C#N ZINC001207106270 1014150706 /nfs/dbraw/zinc/15/07/06/1014150706.db2.gz IVGXJWCGCQZCOH-ZDUSSCGKSA-N 1 1 305.834 3.949 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(Cl)s2)cc1C#N ZINC001207106270 1014150713 /nfs/dbraw/zinc/15/07/13/1014150713.db2.gz IVGXJWCGCQZCOH-ZDUSSCGKSA-N 1 1 305.834 3.949 20 30 DHEDMO CCCCCCCC[N@@H+](CCN)[C@@H](C)CCCC(=O)OCC ZINC001258110658 1028725244 /nfs/dbraw/zinc/72/52/44/1028725244.db2.gz XSVVGKRZONVBFG-KRWDZBQOSA-N 1 1 314.514 3.730 20 30 DHEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000441636471 1014383077 /nfs/dbraw/zinc/38/30/77/1014383077.db2.gz SMZGOSQZOYPZHZ-KRWDZBQOSA-N 1 1 313.445 3.787 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc(F)c(F)c(F)c1 ZINC000177858306 1014460025 /nfs/dbraw/zinc/46/00/25/1014460025.db2.gz SLDYWWUIYGAQCE-VIFPVBQESA-N 1 1 308.278 3.965 20 30 DHEDMO CC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1OC(F)F ZINC000127789835 1014501141 /nfs/dbraw/zinc/50/11/41/1014501141.db2.gz PIPNLYNZLYIZIK-TZMCWYRMSA-N 1 1 307.344 3.772 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000561850847 1032098295 /nfs/dbraw/zinc/09/82/95/1032098295.db2.gz YDOGLXLAGBSFDU-MRXNPFEDSA-N 1 1 321.873 3.993 20 30 DHEDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3cccc(C#N)c3F)C2)n1 ZINC000933124710 1014656672 /nfs/dbraw/zinc/65/66/72/1014656672.db2.gz BOZBIVSMUKJGFZ-CYBMUJFWSA-N 1 1 315.417 3.527 20 30 DHEDMO C=CC[C@@H](Cc1ccccc1)n1cc(C[NH+]2CCCCC2)nn1 ZINC000656457980 1014667446 /nfs/dbraw/zinc/66/74/46/1014667446.db2.gz VRXIBMDXFWMOSV-IBGZPJMESA-N 1 1 310.445 3.624 20 30 DHEDMO C[C@H]([NH2+]C1(CN[C@H]2CC[C@H](C#N)C2)CCCC1)c1ccccc1 ZINC000442786879 1014730976 /nfs/dbraw/zinc/73/09/76/1014730976.db2.gz WGRLSEFGNXBBGI-LNLFQRSKSA-N 1 1 311.473 3.932 20 30 DHEDMO CC[N@@H+](CCc1cccs1)Cc1ccc(C#N)c(OC)c1 ZINC000442800843 1014737145 /nfs/dbraw/zinc/73/71/45/1014737145.db2.gz NMJTVWCWDQDOIU-UHFFFAOYSA-N 1 1 300.427 3.693 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@@H]2C)ccc1C#N ZINC000442832970 1014745423 /nfs/dbraw/zinc/74/54/23/1014745423.db2.gz GRDCRGXLWSZONN-SMDDNHRTSA-N 1 1 312.335 3.730 20 30 DHEDMO COc1cc(C[N@H+]2CCSC3(CCCCC3)C2)ccc1C#N ZINC000442890108 1014761588 /nfs/dbraw/zinc/76/15/88/1014761588.db2.gz MXQAPLZVSJXMEG-UHFFFAOYSA-N 1 1 316.470 3.819 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@H](c3ccccc3C)C2)ccc1C#N ZINC000442887093 1014763448 /nfs/dbraw/zinc/76/34/48/1014763448.db2.gz WMZHUGGODNRSES-SFHVURJKSA-N 1 1 306.409 3.865 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)NCc1ccc(Cl)cc1 ZINC001167461712 1014846918 /nfs/dbraw/zinc/84/69/18/1014846918.db2.gz PUDXJZLFOGJCED-UHFFFAOYSA-N 1 1 308.853 3.634 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000895206240 1014942349 /nfs/dbraw/zinc/94/23/49/1014942349.db2.gz WQLODAMJTJPZLN-CYBMUJFWSA-N 1 1 320.458 3.940 20 30 DHEDMO COCc1c(C)cc(C)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1C ZINC000895228371 1014952560 /nfs/dbraw/zinc/95/25/60/1014952560.db2.gz LMWSUPPYVURZRN-KRWDZBQOSA-N 1 1 300.446 3.884 20 30 DHEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000895228214 1014951364 /nfs/dbraw/zinc/95/13/64/1014951364.db2.gz KKKGQZCPNUMLPA-GOSISDBHSA-N 1 1 322.456 3.923 20 30 DHEDMO C[C@@H]1CC([NH2+]CC(C)(C)S)C[C@@H](C)N1Cc1ccccc1 ZINC001168019713 1014955053 /nfs/dbraw/zinc/95/50/53/1014955053.db2.gz JMZXJZSLVJKDIB-HUUCEWRRSA-N 1 1 306.519 3.726 20 30 DHEDMO CN(C[C@H]1CCC[N@H+]1CC(C)(C)CCC#N)C(=O)OC(C)(C)C ZINC000093867773 1014977622 /nfs/dbraw/zinc/97/76/22/1014977622.db2.gz ALKVBBPGFHHIRL-OAHLLOKOSA-N 1 1 323.481 3.648 20 30 DHEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000157239972 1015009220 /nfs/dbraw/zinc/00/92/20/1015009220.db2.gz KAYYNEQXYPCQQL-LRDDRELGSA-N 1 1 317.433 3.607 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000581577289 1015011704 /nfs/dbraw/zinc/01/17/04/1015011704.db2.gz WMEMCDPNSMKTEN-UHFFFAOYSA-N 1 1 317.389 3.509 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000581577289 1015011714 /nfs/dbraw/zinc/01/17/14/1015011714.db2.gz WMEMCDPNSMKTEN-UHFFFAOYSA-N 1 1 317.389 3.509 20 30 DHEDMO COc1ccc2cc(C[N@H+](C)C[C@H](C#N)CCC#N)ccc2c1 ZINC000025233883 1015014663 /nfs/dbraw/zinc/01/46/63/1015014663.db2.gz UXIUGJJZNUQQGD-INIZCTEOSA-N 1 1 307.397 3.724 20 30 DHEDMO COc1ccc2cc(C[N@@H+](C)C[C@H](C#N)CCC#N)ccc2c1 ZINC000025233883 1015014673 /nfs/dbraw/zinc/01/46/73/1015014673.db2.gz UXIUGJJZNUQQGD-INIZCTEOSA-N 1 1 307.397 3.724 20 30 DHEDMO C=CCCn1cc(C[NH2+][C@@H](C)c2ccccc2C(F)(F)F)nn1 ZINC000846844327 1032109193 /nfs/dbraw/zinc/10/91/93/1032109193.db2.gz ATIQCHKIGKGIOM-LBPRGKRZSA-N 1 1 324.350 3.724 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000474149296 1015107666 /nfs/dbraw/zinc/10/76/66/1015107666.db2.gz BBIPVJNRONKBFT-SOLBZPMBSA-N 1 1 320.864 3.804 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000474149296 1015107674 /nfs/dbraw/zinc/10/76/74/1015107674.db2.gz BBIPVJNRONKBFT-SOLBZPMBSA-N 1 1 320.864 3.804 20 30 DHEDMO CC(C)C[C@H](C#N)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168028592 1015157598 /nfs/dbraw/zinc/15/75/98/1015157598.db2.gz PMMOOBYIMYXCJK-PIKOESSRSA-N 1 1 313.489 3.956 20 30 DHEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000477300944 1015190696 /nfs/dbraw/zinc/19/06/96/1015190696.db2.gz IDZSRMVCSOYULM-FQEVSTJZSA-N 1 1 323.440 3.893 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)c1ccc(F)cc1F ZINC000051262281 1015394881 /nfs/dbraw/zinc/39/48/81/1015394881.db2.gz DHDCCSNNMXKPNL-MRXNPFEDSA-N 1 1 309.381 3.748 20 30 DHEDMO C[C@@H]1C[C@@H](NCc2cc(C#N)co2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168037261 1015464090 /nfs/dbraw/zinc/46/40/90/1015464090.db2.gz ZIVSBYCETMXBJL-HGKCTWBKSA-N 1 1 323.440 3.682 20 30 DHEDMO CC[N@@H+](Cc1cn2ccnc2s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000891656165 1015493089 /nfs/dbraw/zinc/49/30/89/1015493089.db2.gz MAMUDAYBMHHPLW-ZDUSSCGKSA-N 1 1 310.426 3.851 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000084133764 1015513965 /nfs/dbraw/zinc/51/39/65/1015513965.db2.gz WPBLLZGMRVAESN-GOSISDBHSA-N 1 1 300.446 3.650 20 30 DHEDMO N#Cc1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cs1 ZINC000891721684 1015566058 /nfs/dbraw/zinc/56/60/58/1015566058.db2.gz DIMXICRRGXLECN-UHFFFAOYSA-N 1 1 323.421 3.535 20 30 DHEDMO C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2C#N)[C@H]1C ZINC001141901401 1015647694 /nfs/dbraw/zinc/64/76/94/1015647694.db2.gz VBUDSUPEOVVACQ-RYUDHWBXSA-N 1 1 307.235 3.941 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2C#N)[C@H]1C ZINC001141901401 1015647697 /nfs/dbraw/zinc/64/76/97/1015647697.db2.gz VBUDSUPEOVVACQ-RYUDHWBXSA-N 1 1 307.235 3.941 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC000891823303 1015656225 /nfs/dbraw/zinc/65/62/25/1015656225.db2.gz PEBLBPCFIBEEKB-JKSUJKDBSA-N 1 1 317.502 3.706 20 30 DHEDMO CC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)CC(C)C ZINC000179302230 1015659108 /nfs/dbraw/zinc/65/91/08/1015659108.db2.gz UNGFREILZBYBBC-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO CC(=O)NC1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000329358972 1015691198 /nfs/dbraw/zinc/69/11/98/1015691198.db2.gz BQYYCLWBHOJHQA-DQPZFDDXSA-N 1 1 321.465 3.638 20 30 DHEDMO COc1cccc([C@@H](C)[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000341813279 1015746935 /nfs/dbraw/zinc/74/69/35/1015746935.db2.gz JRQUSURHBRCFDZ-QRWLVFNGSA-N 1 1 322.408 3.701 20 30 DHEDMO COc1cccc([C@@H](C)[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000341813279 1015746942 /nfs/dbraw/zinc/74/69/42/1015746942.db2.gz JRQUSURHBRCFDZ-QRWLVFNGSA-N 1 1 322.408 3.701 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC000475023740 1015775039 /nfs/dbraw/zinc/77/50/39/1015775039.db2.gz OIUHMRZQCLKWQM-XUVXKRRUSA-N 1 1 312.457 3.699 20 30 DHEDMO C=C1CC[NH+]([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 ZINC000341991185 1015866083 /nfs/dbraw/zinc/86/60/83/1015866083.db2.gz FYQIQPQOSJYHHT-FQEVSTJZSA-N 1 1 320.436 3.696 20 30 DHEDMO COCC[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CCCC1 ZINC000610859195 1015895611 /nfs/dbraw/zinc/89/56/11/1015895611.db2.gz MXZYROWOWCKUDG-UHFFFAOYSA-N 1 1 300.446 3.879 20 30 DHEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000091080903 1015910603 /nfs/dbraw/zinc/91/06/03/1015910603.db2.gz NFTXTMALOKFMPR-QGZVFWFLSA-N 1 1 313.832 3.869 20 30 DHEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC000091080903 1015910612 /nfs/dbraw/zinc/91/06/12/1015910612.db2.gz NFTXTMALOKFMPR-QGZVFWFLSA-N 1 1 313.832 3.869 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]4CCCC[C@H]43)o2)cc1 ZINC000247705115 1015958900 /nfs/dbraw/zinc/95/89/00/1015958900.db2.gz YSDHMOOFQIOGON-NVXWUHKLSA-N 1 1 322.412 3.763 20 30 DHEDMO C[C@H]1SCC[N@H+](Cc2ccnc(C#N)c2)[C@@H]1c1ccccc1 ZINC000610993085 1016006562 /nfs/dbraw/zinc/00/65/62/1016006562.db2.gz CDMVUQMSIOBGSV-KDOFPFPSSA-N 1 1 309.438 3.632 20 30 DHEDMO C[C@H]1SCC[N@@H+](Cc2ccnc(C#N)c2)[C@@H]1c1ccccc1 ZINC000610993085 1016006572 /nfs/dbraw/zinc/00/65/72/1016006572.db2.gz CDMVUQMSIOBGSV-KDOFPFPSSA-N 1 1 309.438 3.632 20 30 DHEDMO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)CC(C)C ZINC000538397506 1016107343 /nfs/dbraw/zinc/10/73/43/1016107343.db2.gz JREOEURBYAYUPP-QFBILLFUSA-N 1 1 301.478 3.965 20 30 DHEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000538827027 1016179537 /nfs/dbraw/zinc/17/95/37/1016179537.db2.gz GBAQVGAYTDHNQG-ZDUSSCGKSA-N 1 1 320.458 3.564 20 30 DHEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000538827027 1016179545 /nfs/dbraw/zinc/17/95/45/1016179545.db2.gz GBAQVGAYTDHNQG-ZDUSSCGKSA-N 1 1 320.458 3.564 20 30 DHEDMO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1nccn1-c1ccccc1 ZINC000342315219 1016258337 /nfs/dbraw/zinc/25/83/37/1016258337.db2.gz YODPSRLUYKGNRO-ZDUSSCGKSA-N 1 1 308.410 3.656 20 30 DHEDMO Cc1cc(C)c(C#N)c(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000071952812 1016272672 /nfs/dbraw/zinc/27/26/72/1016272672.db2.gz OXMWLZFSKDOOMH-SFHVURJKSA-N 1 1 320.440 3.647 20 30 DHEDMO Cn1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C2CC2)n1 ZINC000892199591 1016412846 /nfs/dbraw/zinc/41/28/46/1016412846.db2.gz AMTFVUDCCGDAJY-RBUKOAKNSA-N 1 1 320.440 3.569 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C2CC2)n1 ZINC000892199591 1016412857 /nfs/dbraw/zinc/41/28/57/1016412857.db2.gz AMTFVUDCCGDAJY-RBUKOAKNSA-N 1 1 320.440 3.569 20 30 DHEDMO N#Cc1ccc(Cl)cc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381576451 1016526224 /nfs/dbraw/zinc/52/62/24/1016526224.db2.gz BBCZVSPHIWADED-QGZVFWFLSA-N 1 1 311.816 3.898 20 30 DHEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)CC1 ZINC001143444264 1016548609 /nfs/dbraw/zinc/54/86/09/1016548609.db2.gz ZOFJUATZGJUDMI-LLVKDONJSA-N 1 1 316.298 3.850 20 30 DHEDMO Cc1ccc2nc(CNC(=[NH2+])Nc3cccc(C(C)C)c3)[nH]c2c1 ZINC000262367232 1016612981 /nfs/dbraw/zinc/61/29/81/1016612981.db2.gz DVPHQWRTMUNGPC-UHFFFAOYSA-N 1 1 321.428 3.922 20 30 DHEDMO CO[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000281754766 1016704322 /nfs/dbraw/zinc/70/43/22/1016704322.db2.gz REULZVDBGDULMK-BBRMVZONSA-N 1 1 311.347 3.556 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000172654459 1016705792 /nfs/dbraw/zinc/70/57/92/1016705792.db2.gz UCCDULYWSPBZJR-CYBMUJFWSA-N 1 1 310.388 3.970 20 30 DHEDMO Cc1noc(C)c1CC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000336869450 1016729529 /nfs/dbraw/zinc/72/95/29/1016729529.db2.gz BZKDXCSVNNMVNI-RTBURBONSA-N 1 1 309.413 3.606 20 30 DHEDMO Cc1noc(C)c1CC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000336869450 1016729539 /nfs/dbraw/zinc/72/95/39/1016729539.db2.gz BZKDXCSVNNMVNI-RTBURBONSA-N 1 1 309.413 3.606 20 30 DHEDMO Cn1c2cc(F)ccc2[nH+]c1N[C@@H](CCC#N)c1ccccc1 ZINC000431410469 1016746671 /nfs/dbraw/zinc/74/66/71/1016746671.db2.gz PROAQUSLFWGTIY-HNNXBMFYSA-N 1 1 308.360 4.169 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)nc1 ZINC000563365940 1016799786 /nfs/dbraw/zinc/79/97/86/1016799786.db2.gz FPZVEMNABZNPIE-IBGZPJMESA-N 1 1 303.409 3.723 20 30 DHEDMO C=CC[N@H+](Cc1ccc2c(c1)ncn2C)Cc1cccc(C#N)c1 ZINC000342616511 1016866230 /nfs/dbraw/zinc/86/62/30/1016866230.db2.gz MZHOJBOXKOTCEL-UHFFFAOYSA-N 1 1 316.408 3.633 20 30 DHEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1ccccc1N1CCCC1 ZINC000121242851 1016913460 /nfs/dbraw/zinc/91/34/60/1016913460.db2.gz WKOJOSDYLLZIBF-UHFFFAOYSA-N 1 1 311.454 3.852 20 30 DHEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1N1CCCC1 ZINC000121242851 1016913469 /nfs/dbraw/zinc/91/34/69/1016913469.db2.gz WKOJOSDYLLZIBF-UHFFFAOYSA-N 1 1 311.454 3.852 20 30 DHEDMO C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cc(C#N)ccc1F ZINC000101544506 1016940709 /nfs/dbraw/zinc/94/07/09/1016940709.db2.gz HNNAYKIWRJUFSI-UHFFFAOYSA-N 1 1 320.371 3.515 20 30 DHEDMO C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cc(C#N)ccc1F ZINC000101544506 1016940718 /nfs/dbraw/zinc/94/07/18/1016940718.db2.gz HNNAYKIWRJUFSI-UHFFFAOYSA-N 1 1 320.371 3.515 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000186167662 1017035512 /nfs/dbraw/zinc/03/55/12/1017035512.db2.gz CWBRJCVJYPIMFB-IBGZPJMESA-N 1 1 310.372 3.579 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000186167662 1017035527 /nfs/dbraw/zinc/03/55/27/1017035527.db2.gz CWBRJCVJYPIMFB-IBGZPJMESA-N 1 1 310.372 3.579 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000186175031 1017043006 /nfs/dbraw/zinc/04/30/06/1017043006.db2.gz NPJQGYYVKIHXFV-IBGZPJMESA-N 1 1 310.397 3.641 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000186201398 1017047744 /nfs/dbraw/zinc/04/77/44/1017047744.db2.gz LDUJMEDJDYVEAU-OXJNMPFZSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000186240689 1017058281 /nfs/dbraw/zinc/05/82/81/1017058281.db2.gz GGOXMMWWHKCDLN-YWZLYKJASA-N 1 1 324.399 3.968 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000186240689 1017058295 /nfs/dbraw/zinc/05/82/95/1017058295.db2.gz GGOXMMWWHKCDLN-YWZLYKJASA-N 1 1 324.399 3.968 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(-c3cccc(OC)c3)n2)C1 ZINC000847024260 1032181082 /nfs/dbraw/zinc/18/10/82/1032181082.db2.gz QCJLPILWSKFBJV-AWEZNQCLSA-N 1 1 312.438 3.664 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2csc(-c3cccc(OC)c3)n2)C1 ZINC000847024260 1032181092 /nfs/dbraw/zinc/18/10/92/1032181092.db2.gz QCJLPILWSKFBJV-AWEZNQCLSA-N 1 1 312.438 3.664 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000847025169 1032181340 /nfs/dbraw/zinc/18/13/40/1032181340.db2.gz VHWBNHNNXLQZTA-AWEZNQCLSA-N 1 1 312.438 3.664 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000847025169 1032181343 /nfs/dbraw/zinc/18/13/43/1032181343.db2.gz VHWBNHNNXLQZTA-AWEZNQCLSA-N 1 1 312.438 3.664 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000847025713 1032182412 /nfs/dbraw/zinc/18/24/12/1032182412.db2.gz OKKJQEITIGKJCJ-QGZVFWFLSA-N 1 1 306.409 3.506 20 30 DHEDMO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000847021833 1032182478 /nfs/dbraw/zinc/18/24/78/1032182478.db2.gz BRLVXNFUFUZADN-KBPBESRZSA-N 1 1 313.376 3.590 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000847021833 1032182481 /nfs/dbraw/zinc/18/24/81/1032182481.db2.gz BRLVXNFUFUZADN-KBPBESRZSA-N 1 1 313.376 3.590 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+](CCO)CCCCC1(C#N)CCC1 ZINC001168308716 1032188837 /nfs/dbraw/zinc/18/88/37/1032188837.db2.gz HIZQKEXCUNNXFM-KRWDZBQOSA-N 1 1 300.446 3.906 20 30 DHEDMO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000772960349 1032199438 /nfs/dbraw/zinc/19/94/38/1032199438.db2.gz RLONKCYJNWAZJQ-ZDUSSCGKSA-N 1 1 314.360 3.587 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000877498308 1033326084 /nfs/dbraw/zinc/32/60/84/1033326084.db2.gz BEVZKYGEBHSOGY-JKSUJKDBSA-N 1 1 323.481 3.553 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@H](C)CCSC)c1C ZINC000362230539 1032279639 /nfs/dbraw/zinc/27/96/39/1032279639.db2.gz ADQAEQXRLPLBMK-CYBMUJFWSA-N 1 1 308.491 3.547 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H](C)CCSC)c1C ZINC000362230539 1032279649 /nfs/dbraw/zinc/27/96/49/1032279649.db2.gz ADQAEQXRLPLBMK-CYBMUJFWSA-N 1 1 308.491 3.547 20 30 DHEDMO COc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000537625472 1032321177 /nfs/dbraw/zinc/32/11/77/1032321177.db2.gz IRYMSZIICSUWRF-UXHICEINSA-N 1 1 306.409 3.967 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000537625472 1032321190 /nfs/dbraw/zinc/32/11/90/1032321190.db2.gz IRYMSZIICSUWRF-UXHICEINSA-N 1 1 306.409 3.967 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1ccccc1OCCOC ZINC000119940532 1032332638 /nfs/dbraw/zinc/33/26/38/1032332638.db2.gz OQOBWIODVSKWSC-UHFFFAOYSA-N 1 1 317.454 3.962 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccccc1OCCOC ZINC000119940532 1032332653 /nfs/dbraw/zinc/33/26/53/1032332653.db2.gz OQOBWIODVSKWSC-UHFFFAOYSA-N 1 1 317.454 3.962 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)C2(C)CC2)cc1OCCCC#N ZINC000091900886 1032464142 /nfs/dbraw/zinc/46/41/42/1032464142.db2.gz OIKYSMYHOCFIOG-HNNXBMFYSA-N 1 1 316.445 3.998 20 30 DHEDMO CC[N@@H+](Cc1ccc(OC)c(OCC(C)C)c1)C[C@@H](C)C#N ZINC000091982270 1032466128 /nfs/dbraw/zinc/46/61/28/1032466128.db2.gz CJRACTOYIWVYMD-HNNXBMFYSA-N 1 1 304.434 3.712 20 30 DHEDMO CC[N@H+](Cc1ccc(OC)c(OCC(C)C)c1)C[C@@H](C)C#N ZINC000091982270 1032466129 /nfs/dbraw/zinc/46/61/29/1032466129.db2.gz CJRACTOYIWVYMD-HNNXBMFYSA-N 1 1 304.434 3.712 20 30 DHEDMO COc1cc(C[N@H+](C)Cc2cc(C#N)cs2)ccc1SC ZINC000092674514 1032505651 /nfs/dbraw/zinc/50/56/51/1032505651.db2.gz IXKYOGOFUBAXPE-UHFFFAOYSA-N 1 1 318.467 3.982 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)ccc1SC ZINC000092674514 1032505656 /nfs/dbraw/zinc/50/56/56/1032505656.db2.gz IXKYOGOFUBAXPE-UHFFFAOYSA-N 1 1 318.467 3.982 20 30 DHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc2c[nH]nc21 ZINC000092646267 1032505817 /nfs/dbraw/zinc/50/58/17/1032505817.db2.gz UKBWTPTZJIRVQG-UHFFFAOYSA-N 1 1 322.368 3.659 20 30 DHEDMO CCOc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1OC ZINC000093101284 1032522226 /nfs/dbraw/zinc/52/22/26/1032522226.db2.gz GRYXKCRMCJMCSC-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO CCOc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1OC ZINC000093101284 1032522232 /nfs/dbraw/zinc/52/22/32/1032522232.db2.gz GRYXKCRMCJMCSC-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO C=CCOc1ccccc1[C@H](C)Nc1cc[nH+]c(N2CCCC2)n1 ZINC001171372953 1032531378 /nfs/dbraw/zinc/53/13/78/1032531378.db2.gz MXCANIGWUXDXNN-HNNXBMFYSA-N 1 1 324.428 3.815 20 30 DHEDMO CC1(C)C[N@@H+](Cc2cccc(OCCCC#N)c2)CCS1 ZINC000093504379 1032542643 /nfs/dbraw/zinc/54/26/43/1032542643.db2.gz WNAJOVKWWFVWSO-UHFFFAOYSA-N 1 1 304.459 3.697 20 30 DHEDMO C=CCn1cc(C[NH2+]Cc2c(CCCC)oc3ccccc32)nn1 ZINC000424174751 1011927433 /nfs/dbraw/zinc/92/74/33/1011927433.db2.gz SFTBYZNJWDAIEQ-UHFFFAOYSA-N 1 1 324.428 3.843 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCCC[C@@H]1C ZINC000120094645 1011976222 /nfs/dbraw/zinc/97/62/22/1011976222.db2.gz FVKBOVGLCKIXMQ-DZGCQCFKSA-N 1 1 319.474 3.849 20 30 DHEDMO CC1(C)C[N@H+](CC#Cc2cccc(Cl)c2)[C@H]1[C@H]1CCCO1 ZINC000579766865 1012063639 /nfs/dbraw/zinc/06/36/39/1012063639.db2.gz HNABTXLQCCMBCS-SJORKVTESA-N 1 1 303.833 3.581 20 30 DHEDMO CC1(C)C[N@@H+](CC#Cc2cccc(Cl)c2)[C@H]1[C@H]1CCCO1 ZINC000579766865 1012063660 /nfs/dbraw/zinc/06/36/60/1012063660.db2.gz HNABTXLQCCMBCS-SJORKVTESA-N 1 1 303.833 3.581 20 30 DHEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000577646220 1012065531 /nfs/dbraw/zinc/06/55/31/1012065531.db2.gz IIKSWQYQPBRKCF-BEFAXECRSA-N 1 1 321.424 3.935 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000424699262 1012108859 /nfs/dbraw/zinc/10/88/59/1012108859.db2.gz BJZSNLGJAYPPQP-FUHWJXTLSA-N 1 1 314.473 3.758 20 30 DHEDMO C=CC[C@H](Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2)C(=O)OC ZINC000887309148 1032615161 /nfs/dbraw/zinc/61/51/61/1032615161.db2.gz OAPFBCUNLILRKK-KSSFIOAISA-N 1 1 316.445 3.576 20 30 DHEDMO C=CC[C@@H](Nc1cccc2c1C[N@H+]([C@@H](C)C(C)C)C2)C(=O)OC ZINC000887309146 1032615194 /nfs/dbraw/zinc/61/51/94/1032615194.db2.gz OAPFBCUNLILRKK-KBXCAEBGSA-N 1 1 316.445 3.576 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000514214641 1012293969 /nfs/dbraw/zinc/29/39/69/1012293969.db2.gz NEAAUDWLZBHVRN-SFTDATJTSA-N 1 1 318.420 3.979 20 30 DHEDMO Cc1cc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)ccc1C#N ZINC000618593661 1012327778 /nfs/dbraw/zinc/32/77/78/1012327778.db2.gz VJLGXWCYRCXFDC-HXUWFJFHSA-N 1 1 306.409 3.830 20 30 DHEDMO C=CCc1cc(CNc2ccc(C3CCC3)c[nH+]2)cc(OC)c1O ZINC000339561492 1012367853 /nfs/dbraw/zinc/36/78/53/1012367853.db2.gz DHCNEFZXOKFISL-UHFFFAOYSA-N 1 1 324.424 4.404 20 30 DHEDMO CC(C)C[N@@H+](Cc1cncn1C(C)C)Cc1ccc(C#N)cc1 ZINC000425331159 1012454822 /nfs/dbraw/zinc/45/48/22/1012454822.db2.gz WZWTXPNFABRWAG-UHFFFAOYSA-N 1 1 310.445 3.994 20 30 DHEDMO C=C(C)CCC(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC001269939914 1012464775 /nfs/dbraw/zinc/46/47/75/1012464775.db2.gz OFCLZNANKCXGDU-GOSISDBHSA-N 1 1 302.462 3.616 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc2c1OCCCO2 ZINC000425363791 1012489632 /nfs/dbraw/zinc/48/96/32/1012489632.db2.gz CWSVNGHMQUKMTD-HNNXBMFYSA-N 1 1 322.408 3.913 20 30 DHEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2CC[N@@H+](C3CCCC3)CC[C@@H]2C1 ZINC001269977661 1012547244 /nfs/dbraw/zinc/54/72/44/1012547244.db2.gz RCQQRVMTJQTXAM-CALCHBBNSA-N 1 1 318.505 3.702 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](CC)Cc1cccc(Cl)c1 ZINC000515413062 1012618896 /nfs/dbraw/zinc/61/88/96/1012618896.db2.gz ZOHLYRAKJBXZND-UHFFFAOYSA-N 1 1 308.853 3.587 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC)Cc1cccc(Cl)c1 ZINC000515413062 1012618903 /nfs/dbraw/zinc/61/89/03/1012618903.db2.gz ZOHLYRAKJBXZND-UHFFFAOYSA-N 1 1 308.853 3.587 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1Cl ZINC000537687498 1032642333 /nfs/dbraw/zinc/64/23/33/1032642333.db2.gz IUPQAGNEEOCQLW-RDJZCZTQSA-N 1 1 321.848 3.906 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000425530393 1012728605 /nfs/dbraw/zinc/72/86/05/1012728605.db2.gz FFEJPKLKCHUXEN-HNNXBMFYSA-N 1 1 305.381 3.502 20 30 DHEDMO CCOC(=O)CC(C)(C)CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425532733 1012731207 /nfs/dbraw/zinc/73/12/07/1012731207.db2.gz JXJLXGWUYIIFPZ-OAHLLOKOSA-N 1 1 316.445 3.921 20 30 DHEDMO CCc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425540049 1012741335 /nfs/dbraw/zinc/74/13/35/1012741335.db2.gz NTULZNQCNZFJIP-OAHLLOKOSA-N 1 1 321.424 3.752 20 30 DHEDMO CCc1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425540049 1012741351 /nfs/dbraw/zinc/74/13/51/1012741351.db2.gz NTULZNQCNZFJIP-OAHLLOKOSA-N 1 1 321.424 3.752 20 30 DHEDMO CCCCCCCC(=O)N1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001270134727 1012773669 /nfs/dbraw/zinc/77/36/69/1012773669.db2.gz RQRRJZCWHYYHOC-UHFFFAOYSA-N 1 1 306.494 3.824 20 30 DHEDMO C[C@@H]1C[C@H](Nc2c(C#N)cnc3c(Cl)cccc32)CC[N@H+]1C ZINC000516967974 1012878091 /nfs/dbraw/zinc/87/80/91/1012878091.db2.gz XJUSKCTUYYHBRX-DGCLKSJQSA-N 1 1 314.820 3.654 20 30 DHEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc(C#N)ccn1 ZINC000342882319 1012934116 /nfs/dbraw/zinc/93/41/16/1012934116.db2.gz LQYBECWJRSGNSK-SFHVURJKSA-N 1 1 308.429 3.522 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000517602249 1013023570 /nfs/dbraw/zinc/02/35/70/1013023570.db2.gz DNSJCMXOPZGPLT-QGZVFWFLSA-N 1 1 315.461 3.795 20 30 DHEDMO CC(C)(C)OC(=O)c1cccc(C[N@H+](CCC#N)CC2CC2)c1 ZINC000180076422 1013027671 /nfs/dbraw/zinc/02/76/71/1013027671.db2.gz CXJICTNIHRZDTA-UHFFFAOYSA-N 1 1 314.429 3.768 20 30 DHEDMO CC(C)(C)OC(=O)c1cccc(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000180076422 1013027682 /nfs/dbraw/zinc/02/76/82/1013027682.db2.gz CXJICTNIHRZDTA-UHFFFAOYSA-N 1 1 314.429 3.768 20 30 DHEDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1C ZINC000186309724 1017127893 /nfs/dbraw/zinc/12/78/93/1017127893.db2.gz QBHGXMXPCUKTKT-HXUWFJFHSA-N 1 1 308.425 3.640 20 30 DHEDMO C[NH+](C)[C@@H](C/N=C\c1ccccc1O)c1ccccc1Cl ZINC000255523933 1017193588 /nfs/dbraw/zinc/19/35/88/1017193588.db2.gz ISKOIGSFWVQTBL-YLRSXTQRSA-N 1 1 302.805 3.767 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000054271872 1017287659 /nfs/dbraw/zinc/28/76/59/1017287659.db2.gz GOYKHDPPDHBOSY-UHFFFAOYSA-N 1 1 312.369 3.792 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](O)c1ccccc1F ZINC000076153505 1017379412 /nfs/dbraw/zinc/37/94/12/1017379412.db2.gz BNSOLJKRNLBIMF-HOJAQTOUSA-N 1 1 324.399 3.631 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccccc1F ZINC000076153505 1017379421 /nfs/dbraw/zinc/37/94/21/1017379421.db2.gz BNSOLJKRNLBIMF-HOJAQTOUSA-N 1 1 324.399 3.631 20 30 DHEDMO CCC(CC)C[N@@H+](CC)CCC(=O)Nc1cccc(C#N)c1 ZINC000314863314 1032697349 /nfs/dbraw/zinc/69/73/49/1032697349.db2.gz ZEYDSFGBGUIETA-UHFFFAOYSA-N 1 1 301.434 3.645 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1c(C#N)nnc2ccccc21 ZINC000077190132 1017441285 /nfs/dbraw/zinc/44/12/85/1017441285.db2.gz OMEKQQKUXPVBNU-OAHLLOKOSA-N 1 1 323.444 3.568 20 30 DHEDMO C=CCCn1cc(C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)nn1 ZINC000623833764 1017526081 /nfs/dbraw/zinc/52/60/81/1017526081.db2.gz YJSTZBKGUAEDDM-QGZVFWFLSA-N 1 1 316.836 3.675 20 30 DHEDMO CC(C)O[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000593054818 1032707423 /nfs/dbraw/zinc/70/74/23/1032707423.db2.gz GDQWUVQZQBHIGP-OAHLLOKOSA-N 1 1 324.371 3.549 20 30 DHEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000593054818 1032707432 /nfs/dbraw/zinc/70/74/32/1032707432.db2.gz GDQWUVQZQBHIGP-OAHLLOKOSA-N 1 1 324.371 3.549 20 30 DHEDMO Cc1ccccc1C[NH+]1CCN(CCCCC(C)(C)C#N)CC1 ZINC000444595793 1017585151 /nfs/dbraw/zinc/58/51/51/1017585151.db2.gz OMHYOIRFRGKGSX-UHFFFAOYSA-N 1 1 313.489 3.833 20 30 DHEDMO CC(C)C[N@@H+](CCO[C@@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC000444601529 1017589531 /nfs/dbraw/zinc/58/95/31/1017589531.db2.gz DZJJHLYTWOPBNB-LJQANCHMSA-N 1 1 316.445 3.559 20 30 DHEDMO CC[N@@H+](CCCO)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444654185 1017606805 /nfs/dbraw/zinc/60/68/05/1017606805.db2.gz OIEMWDBFFMSMKE-UHFFFAOYSA-N 1 1 322.452 3.591 20 30 DHEDMO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)ccn1 ZINC000342860839 1017609750 /nfs/dbraw/zinc/60/97/50/1017609750.db2.gz RLERDRBSZXJBRL-UHFFFAOYSA-N 1 1 309.413 3.620 20 30 DHEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444684046 1017629465 /nfs/dbraw/zinc/62/94/65/1017629465.db2.gz KCNWOTBMVOLNPO-HNNXBMFYSA-N 1 1 308.466 3.760 20 30 DHEDMO COc1cc2c(cc1F)C[N@@H+](CCCCC(C)(C)C#N)CC2 ZINC000444690146 1017631835 /nfs/dbraw/zinc/63/18/35/1017631835.db2.gz RANACLOTOLEWHL-UHFFFAOYSA-N 1 1 304.409 3.912 20 30 DHEDMO Cc1cc(C)cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000444710888 1017644805 /nfs/dbraw/zinc/64/48/05/1017644805.db2.gz SYVZTOOEFLALJD-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO C=CC[C@@H]1[N@H+](CC[S@](=O)c2ccccc2)CCCC1(C)C ZINC000444779770 1017661500 /nfs/dbraw/zinc/66/15/00/1017661500.db2.gz LNRNGZGPVOFEOQ-UWJYYQICSA-N 1 1 305.487 3.861 20 30 DHEDMO N#Cc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1C(F)(F)F ZINC000166351347 1017665311 /nfs/dbraw/zinc/66/53/11/1017665311.db2.gz HHMRRZJBWUSARW-LLVKDONJSA-N 1 1 320.318 3.684 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2CCC[C@H](C(C)C)C2)c(C#N)c1C ZINC000444775170 1017670119 /nfs/dbraw/zinc/67/01/19/1017670119.db2.gz ZSFCKUBVAUTZGR-AWEZNQCLSA-N 1 1 319.474 3.543 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](C(C)C)C2)c(C#N)c1C ZINC000444775170 1017670120 /nfs/dbraw/zinc/67/01/20/1017670120.db2.gz ZSFCKUBVAUTZGR-AWEZNQCLSA-N 1 1 319.474 3.543 20 30 DHEDMO C=CC[C@H]1[N@H+](CC(=O)Nc2ccccc2F)CCCC1(C)C ZINC000444787246 1017680147 /nfs/dbraw/zinc/68/01/47/1017680147.db2.gz QOUUWQILPQEHIW-MRXNPFEDSA-N 1 1 304.409 3.831 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CCCCOc2c(OC)cccc2OC)C1 ZINC000625701999 1017781479 /nfs/dbraw/zinc/78/14/79/1017781479.db2.gz MJULGIDHNYYDSW-MRXNPFEDSA-N 1 1 319.445 3.761 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)C1 ZINC000625704715 1017782763 /nfs/dbraw/zinc/78/27/63/1017782763.db2.gz ZZQQRLKNAKYROZ-ZDUSSCGKSA-N 1 1 316.836 3.534 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000625704386 1017784800 /nfs/dbraw/zinc/78/48/00/1017784800.db2.gz RTHONNNWBUTTFC-MRXNPFEDSA-N 1 1 324.424 3.608 20 30 DHEDMO N#Cc1ccccc1C[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134285544 1017789999 /nfs/dbraw/zinc/78/99/99/1017789999.db2.gz FVUSVGKBFGBKMM-UHFFFAOYSA-N 1 1 314.816 3.596 20 30 DHEDMO N#Cc1ccccc1C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134285544 1017790005 /nfs/dbraw/zinc/79/00/05/1017790005.db2.gz FVUSVGKBFGBKMM-UHFFFAOYSA-N 1 1 314.816 3.596 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H](CCN(C)C)C(C)(C)C)cc1 ZINC000523862960 1017812749 /nfs/dbraw/zinc/81/27/49/1017812749.db2.gz FBRVBGOJKWIPDP-GOSISDBHSA-N 1 1 304.478 3.707 20 30 DHEDMO COc1c(C)cnc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000171235099 1017914021 /nfs/dbraw/zinc/91/40/21/1017914021.db2.gz ASRFWKATPUBGKY-UHFFFAOYSA-N 1 1 321.424 3.743 20 30 DHEDMO COc1c(C)c[nH+]c(CN(Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000171235099 1017914045 /nfs/dbraw/zinc/91/40/45/1017914045.db2.gz ASRFWKATPUBGKY-UHFFFAOYSA-N 1 1 321.424 3.743 20 30 DHEDMO FC(F)(F)CC[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674462325 1017999358 /nfs/dbraw/zinc/99/93/58/1017999358.db2.gz IARMEYQKURXBRY-PHDIDXHHSA-N 1 1 303.168 3.611 20 30 DHEDMO COc1ccc(C[NH2+]C[C@H](C)C#N)cc1OCc1ccccc1 ZINC000183826047 1018046071 /nfs/dbraw/zinc/04/60/71/1018046071.db2.gz ARLNNRCHFMJWBU-OAHLLOKOSA-N 1 1 310.397 3.523 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3ncccc3C#N)cc2)C1 ZINC000052158040 1018155346 /nfs/dbraw/zinc/15/53/46/1018155346.db2.gz KIUPXGJTTDWSRZ-MRXNPFEDSA-N 1 1 320.440 3.797 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2ncccc2C#N)cc1 ZINC000052183674 1018187419 /nfs/dbraw/zinc/18/74/19/1018187419.db2.gz OBPYXBPWIJOILL-INIZCTEOSA-N 1 1 320.440 3.940 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@H]1CCc3cc(F)c(F)cc3C1)CC2 ZINC001171476708 1032748512 /nfs/dbraw/zinc/74/85/12/1032748512.db2.gz ORORSZHHUMQOHJ-SFHVURJKSA-N 1 1 324.374 3.752 20 30 DHEDMO Cc1cc(C(F)(F)F)cc(NCCOc2ccc(C#N)cc2)[nH+]1 ZINC001171480937 1032749566 /nfs/dbraw/zinc/74/95/66/1032749566.db2.gz NIEPSNSAAJNOQT-UHFFFAOYSA-N 1 1 321.302 3.771 20 30 DHEDMO C[C@@H]1SCC[N@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)[C@H]1C ZINC000121688590 1018254297 /nfs/dbraw/zinc/25/42/97/1018254297.db2.gz BDPCZSDSIFIILL-STQMWFEESA-N 1 1 313.426 3.539 20 30 DHEDMO C[C@@H]1SCC[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)[C@H]1C ZINC000121688590 1018254309 /nfs/dbraw/zinc/25/43/09/1018254309.db2.gz BDPCZSDSIFIILL-STQMWFEESA-N 1 1 313.426 3.539 20 30 DHEDMO Cc1ccc(O[C@H]2CC[N@@H+](CCC3(C#N)CCCCC3)C2)nc1 ZINC000858044291 1032754713 /nfs/dbraw/zinc/75/47/13/1032754713.db2.gz FECHQSMPBANXTQ-KRWDZBQOSA-N 1 1 313.445 3.707 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccnn1C1CCCC1 ZINC000150875246 1018306636 /nfs/dbraw/zinc/30/66/36/1018306636.db2.gz OXARNDKXISGHEF-UHFFFAOYSA-N 1 1 318.465 3.615 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)NCC(C)(C)[NH+](C)C)cc1 ZINC000764534320 1018308850 /nfs/dbraw/zinc/30/88/50/1018308850.db2.gz ZEPKCSORQZEFTQ-AWEZNQCLSA-N 1 1 310.869 3.809 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558734403 1018332829 /nfs/dbraw/zinc/33/28/29/1018332829.db2.gz HQLPTDBJBORSOP-CQSZACIVSA-N 1 1 309.369 3.702 20 30 DHEDMO C#CC[N@H+](Cc1cc2ccccc2nc1N1CCCCC1)C1CC1 ZINC000764676711 1018348978 /nfs/dbraw/zinc/34/89/78/1018348978.db2.gz NKWBAMRYWVMZLE-UHFFFAOYSA-N 1 1 319.452 3.823 20 30 DHEDMO C#CC[N@@H+](Cc1cc2ccccc2nc1N1CCCCC1)C1CC1 ZINC000764676711 1018348989 /nfs/dbraw/zinc/34/89/89/1018348989.db2.gz NKWBAMRYWVMZLE-UHFFFAOYSA-N 1 1 319.452 3.823 20 30 DHEDMO CCC(C)(C)CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000441245282 1018383860 /nfs/dbraw/zinc/38/38/60/1018383860.db2.gz MDNJCTIAFFVVSY-UHFFFAOYSA-N 1 1 313.489 3.892 20 30 DHEDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000246030357 1018392327 /nfs/dbraw/zinc/39/23/27/1018392327.db2.gz NLZPJAXPCUTDNH-WOJBJXKFSA-N 1 1 306.409 3.737 20 30 DHEDMO Cc1ccc(C[C@@H]([NH2+]Cc2ccc(C#N)o2)c2ccccn2)cc1 ZINC000174399780 1018425390 /nfs/dbraw/zinc/42/53/90/1018425390.db2.gz FRZVGLLEZJVZIS-HXUWFJFHSA-N 1 1 317.392 3.928 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1ccc(C#N)cc1F ZINC000447582541 1018427657 /nfs/dbraw/zinc/42/76/57/1018427657.db2.gz WYADSUQCFLTWQY-CYBMUJFWSA-N 1 1 309.388 3.822 20 30 DHEDMO C=CCC(CC=C)C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278245029 1018438077 /nfs/dbraw/zinc/43/80/77/1018438077.db2.gz GJRUNEMEUNZVSY-UHFFFAOYSA-N 1 1 314.429 3.528 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000246277818 1018443075 /nfs/dbraw/zinc/44/30/75/1018443075.db2.gz ARCSQHHSPYBHFC-ZTNFWEORSA-N 1 1 309.457 3.568 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000246296224 1018447301 /nfs/dbraw/zinc/44/73/01/1018447301.db2.gz DWBBOEFRRCHATA-IFXJQAMLSA-N 1 1 310.372 3.832 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000246296224 1018447303 /nfs/dbraw/zinc/44/73/03/1018447303.db2.gz DWBBOEFRRCHATA-IFXJQAMLSA-N 1 1 310.372 3.832 20 30 DHEDMO CCCOc1ccc(C[N@H+](CCC)CC2(C#N)CC2)cc1OC ZINC000343239113 1018482793 /nfs/dbraw/zinc/48/27/93/1018482793.db2.gz PQSIAWGEGBZJJA-UHFFFAOYSA-N 1 1 316.445 4.000 20 30 DHEDMO CCCOc1ccc(C[N@@H+](CCC)CC2(C#N)CC2)cc1OC ZINC000343239113 1018482798 /nfs/dbraw/zinc/48/27/98/1018482798.db2.gz PQSIAWGEGBZJJA-UHFFFAOYSA-N 1 1 316.445 4.000 20 30 DHEDMO CC(C)(C)[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000447828341 1018483396 /nfs/dbraw/zinc/48/33/96/1018483396.db2.gz DFIQULYJYUAEEC-QGZVFWFLSA-N 1 1 300.446 3.735 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000157399640 1018619529 /nfs/dbraw/zinc/61/95/29/1018619529.db2.gz WOQDGKCWCMUKOY-OAHLLOKOSA-N 1 1 300.402 3.535 20 30 DHEDMO C[C@@H](C1CC1)n1cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000329388045 1018652868 /nfs/dbraw/zinc/65/28/68/1018652868.db2.gz REOKTCPFJPRQKH-XJKSGUPXSA-N 1 1 304.438 3.707 20 30 DHEDMO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC(C)(C)C ZINC000263790223 1032778996 /nfs/dbraw/zinc/77/89/96/1032778996.db2.gz NGZZFTFAHOUNKZ-UHFFFAOYSA-N 1 1 311.429 3.716 20 30 DHEDMO C=C(Br)C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000157844933 1018698625 /nfs/dbraw/zinc/69/86/25/1018698625.db2.gz MWTPFLUTEFYYEP-UHFFFAOYSA-N 1 1 312.104 3.843 20 30 DHEDMO C=CCCC[C@@H](C)OC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000765458986 1018794491 /nfs/dbraw/zinc/79/44/91/1018794491.db2.gz QCXDLOOORUSWQC-MRXNPFEDSA-N 1 1 316.445 3.894 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248399456 1018899020 /nfs/dbraw/zinc/89/90/20/1018899020.db2.gz JWKDJOSOXYISMF-ULQDDVLXSA-N 1 1 321.509 3.683 20 30 DHEDMO CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000584056093 1018907425 /nfs/dbraw/zinc/90/74/25/1018907425.db2.gz DVBLCULINIPATD-QWHCGFSZSA-N 1 1 301.390 3.865 20 30 DHEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171611880 1032798419 /nfs/dbraw/zinc/79/84/19/1032798419.db2.gz DEWGKOBOYMODFJ-HUUCEWRRSA-N 1 1 310.482 3.918 20 30 DHEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1)Cc1ccc(C#N)cc1 ZINC000052825805 1018977881 /nfs/dbraw/zinc/97/78/81/1018977881.db2.gz IWYUQEZDYXTUEB-UHFFFAOYSA-N 1 1 321.424 3.799 20 30 DHEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2CC(C)(C)C)c(C#N)c1C ZINC000153899383 1018988420 /nfs/dbraw/zinc/98/84/20/1018988420.db2.gz LVNDSTNDTDYQTR-AWEZNQCLSA-N 1 1 317.433 3.607 20 30 DHEDMO C[N@@H+](CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)(C)C)C1 ZINC001171603359 1032799950 /nfs/dbraw/zinc/79/99/50/1032799950.db2.gz YVZZSXNBJPFDMG-LSDHHAIUSA-N 1 1 323.481 3.646 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)NCC[N@@H+](C)C(C)C)cc1 ZINC000765625331 1019011324 /nfs/dbraw/zinc/01/13/24/1019011324.db2.gz WWKAJLAEWUCVHT-OAHLLOKOSA-N 1 1 310.869 3.809 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)NCC[N@H+](C)C(C)C)cc1 ZINC000765625331 1019011341 /nfs/dbraw/zinc/01/13/41/1019011341.db2.gz WWKAJLAEWUCVHT-OAHLLOKOSA-N 1 1 310.869 3.809 20 30 DHEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C1CCCCC1 ZINC000052873502 1019016908 /nfs/dbraw/zinc/01/69/08/1019016908.db2.gz HZVGNXFLDYBDKN-UHFFFAOYSA-N 1 1 313.445 3.588 20 30 DHEDMO CCc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000007420055 1019028733 /nfs/dbraw/zinc/02/87/33/1019028733.db2.gz CNJRTBRXWKMAFI-HNNXBMFYSA-N 1 1 321.424 3.580 20 30 DHEDMO CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075747671 1019047465 /nfs/dbraw/zinc/04/74/65/1019047465.db2.gz UURPWZCNOLWCIM-CQSZACIVSA-N 1 1 310.401 3.620 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000075864808 1019064810 /nfs/dbraw/zinc/06/48/10/1019064810.db2.gz QRWIQBNQWMLCKN-GOSISDBHSA-N 1 1 306.409 3.597 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1C(C)(C)C#N ZINC000135120869 1019065414 /nfs/dbraw/zinc/06/54/14/1019065414.db2.gz PGVAJLKXIVSGRC-UHFFFAOYSA-N 1 1 303.409 3.991 20 30 DHEDMO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccccc1Cl ZINC000008173386 1019092245 /nfs/dbraw/zinc/09/22/45/1019092245.db2.gz WTQGFQABAXAXNT-GFCCVEGCSA-N 1 1 313.788 3.501 20 30 DHEDMO N#Cc1cc(Cl)ccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309652079 1019101503 /nfs/dbraw/zinc/10/15/03/1019101503.db2.gz ANBKKLQIELMZSD-KRWDZBQOSA-N 1 1 311.816 3.898 20 30 DHEDMO CCOc1cc(Cl)ccc1C[NH2+]Cc1csc(C#N)c1 ZINC000921929820 1019131022 /nfs/dbraw/zinc/13/10/22/1019131022.db2.gz YPSKHPODFIRFJT-UHFFFAOYSA-N 1 1 306.818 3.962 20 30 DHEDMO CCc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000347919248 1019176656 /nfs/dbraw/zinc/17/66/56/1019176656.db2.gz MTHJAXSSWBLDKJ-UHFFFAOYSA-N 1 1 303.409 3.805 20 30 DHEDMO C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccc(C#N)cc1F ZINC000921990410 1019275855 /nfs/dbraw/zinc/27/58/55/1019275855.db2.gz MAUOUJYVJBEUGF-ZDUSSCGKSA-N 1 1 312.392 3.545 20 30 DHEDMO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC001171670292 1032822272 /nfs/dbraw/zinc/82/22/72/1032822272.db2.gz CXGKIJYZGMVFJC-HNNXBMFYSA-N 1 1 308.466 3.903 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)o1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000611266811 1019426653 /nfs/dbraw/zinc/42/66/53/1019426653.db2.gz PKJCIYNSLYLIDM-LPHOPBHVSA-N 1 1 310.397 3.751 20 30 DHEDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccc(C#N)s1 ZINC000611285854 1019433770 /nfs/dbraw/zinc/43/37/70/1019433770.db2.gz DUJKESUVDCXRKN-HNNXBMFYSA-N 1 1 311.454 3.850 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1C#N ZINC000611348122 1019456585 /nfs/dbraw/zinc/45/65/85/1019456585.db2.gz QUSHHLLNMBTDTN-CALCHBBNSA-N 1 1 320.440 3.674 20 30 DHEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611348024 1019457597 /nfs/dbraw/zinc/45/75/97/1019457597.db2.gz NTJHTKJLZKAZLQ-ZBFHGGJFSA-N 1 1 308.429 3.673 20 30 DHEDMO C[N@@H+](CCN[C@@H]1CCCc2cc(C#N)ccc21)C1CCCCC1 ZINC000611391810 1019465472 /nfs/dbraw/zinc/46/54/72/1019465472.db2.gz UJRUNWMMQAHQLO-HXUWFJFHSA-N 1 1 311.473 3.790 20 30 DHEDMO CN(CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21)C1CCCCC1 ZINC000611391810 1019465475 /nfs/dbraw/zinc/46/54/75/1019465475.db2.gz UJRUNWMMQAHQLO-HXUWFJFHSA-N 1 1 311.473 3.790 20 30 DHEDMO C[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000611390578 1019465747 /nfs/dbraw/zinc/46/57/47/1019465747.db2.gz IUEFAAYRNHBJEU-QINHECLXSA-N 1 1 311.473 3.646 20 30 DHEDMO C[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000611390578 1019465754 /nfs/dbraw/zinc/46/57/54/1019465754.db2.gz IUEFAAYRNHBJEU-QINHECLXSA-N 1 1 311.473 3.646 20 30 DHEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001128346292 1019465999 /nfs/dbraw/zinc/46/59/99/1019465999.db2.gz GHHRWZOQZPKNBN-SFHVURJKSA-N 1 1 314.473 3.616 20 30 DHEDMO C[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCCCC1 ZINC000611390993 1019474038 /nfs/dbraw/zinc/47/40/38/1019474038.db2.gz LXVKWXMBNZOEBZ-OXJNMPFZSA-N 1 1 311.473 3.647 20 30 DHEDMO CC(C)[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)[NH+]1CCCC1 ZINC000611390998 1019474849 /nfs/dbraw/zinc/47/48/49/1019474849.db2.gz ZFBHMRJTMXLMSP-PMACEKPBSA-N 1 1 311.473 3.646 20 30 DHEDMO COC(=O)c1cc(C[NH2+][C@H](CCC#N)c2ccccc2)c(C)o1 ZINC000611407014 1019475119 /nfs/dbraw/zinc/47/51/19/1019475119.db2.gz SJTCNBUCERCFMX-MRXNPFEDSA-N 1 1 312.369 3.509 20 30 DHEDMO COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)cc1OCCCC#N ZINC000611521364 1019508145 /nfs/dbraw/zinc/50/81/45/1019508145.db2.gz AQOLYTMSNGEAQM-GOEBONIOSA-N 1 1 320.408 3.558 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@H](F)C2)cc1OCCCC#N ZINC000611521364 1019508159 /nfs/dbraw/zinc/50/81/59/1019508159.db2.gz AQOLYTMSNGEAQM-GOEBONIOSA-N 1 1 320.408 3.558 20 30 DHEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000611553985 1019513143 /nfs/dbraw/zinc/51/31/43/1019513143.db2.gz AGGDZJKJMWBLID-OCCSQVGLSA-N 1 1 312.335 3.600 20 30 DHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114495648 1019517189 /nfs/dbraw/zinc/51/71/89/1019517189.db2.gz PGISDBFGODPDKQ-UZLBHIALSA-N 1 1 323.440 3.708 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)C2CCC(OC)CC2)cc1OC ZINC000093415028 1019601291 /nfs/dbraw/zinc/60/12/91/1019601291.db2.gz ODLWZOIDVZIOKX-UHFFFAOYSA-N 1 1 319.445 3.649 20 30 DHEDMO CCC[N@@H+]1Cc2cccc(N=Cc3c(O)cccc3OC)c2C1 ZINC000727265518 1019680834 /nfs/dbraw/zinc/68/08/34/1019680834.db2.gz SDDOWZWQKWFFBJ-UHFFFAOYSA-N 1 1 310.397 3.877 20 30 DHEDMO CCC[N@H+]1Cc2cccc(N=Cc3c(O)cccc3OC)c2C1 ZINC000727265518 1019680845 /nfs/dbraw/zinc/68/08/45/1019680845.db2.gz SDDOWZWQKWFFBJ-UHFFFAOYSA-N 1 1 310.397 3.877 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC#N)cc1 ZINC000264095782 1032850074 /nfs/dbraw/zinc/85/00/74/1032850074.db2.gz GUSFFFQFIKPXFO-UHFFFAOYSA-N 1 1 319.408 3.871 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000281161995 1019767953 /nfs/dbraw/zinc/76/79/53/1019767953.db2.gz HFOLJSLEMVHTRD-QGZVFWFLSA-N 1 1 324.472 3.563 20 30 DHEDMO C=CC[NH+](CC=C)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000302805024 1019791498 /nfs/dbraw/zinc/79/14/98/1019791498.db2.gz BANQNKWUNMUSDE-MRXNPFEDSA-N 1 1 308.425 3.691 20 30 DHEDMO CC[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccs1 ZINC000347618327 1019808016 /nfs/dbraw/zinc/80/80/16/1019808016.db2.gz VNGYTVVKVOBURA-AWEZNQCLSA-N 1 1 324.409 3.911 20 30 DHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC23CCCC3)cc1 ZINC001171765680 1032865850 /nfs/dbraw/zinc/86/58/50/1032865850.db2.gz UMLPKQUTOOHLOU-UHFFFAOYSA-N 1 1 309.331 3.955 20 30 DHEDMO C#CCCCCCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000780513611 1020014460 /nfs/dbraw/zinc/01/44/60/1020014460.db2.gz UCOYGDNMRBWRQX-OALUTQOASA-N 1 1 318.505 3.683 20 30 DHEDMO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000731212324 1020078753 /nfs/dbraw/zinc/07/87/53/1020078753.db2.gz GROVWTFEYSOTJZ-OAHLLOKOSA-N 1 1 308.381 3.545 20 30 DHEDMO N#Cc1csc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000092435975 1020092541 /nfs/dbraw/zinc/09/25/41/1020092541.db2.gz FFWRUVNBIFJZIG-QGZVFWFLSA-N 1 1 312.438 3.801 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2[nH]ccc21 ZINC000092567988 1020100094 /nfs/dbraw/zinc/10/00/94/1020100094.db2.gz WJARLMHFHYVHIL-UHFFFAOYSA-N 1 1 319.408 3.688 20 30 DHEDMO CCOc1ccccc1C1=CC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000092644390 1020104776 /nfs/dbraw/zinc/10/47/76/1020104776.db2.gz KOSLXOATGBNQAU-UHFFFAOYSA-N 1 1 308.381 3.839 20 30 DHEDMO CCOc1ccccc1C1=CC[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC000092644390 1020104786 /nfs/dbraw/zinc/10/47/86/1020104786.db2.gz KOSLXOATGBNQAU-UHFFFAOYSA-N 1 1 308.381 3.839 20 30 DHEDMO Oc1ccccc1/C=N/C[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000731489012 1020110042 /nfs/dbraw/zinc/11/00/42/1020110042.db2.gz ZBRYENJZVZFNDN-JZQBQCRLSA-N 1 1 300.446 3.856 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000154845366 1020156651 /nfs/dbraw/zinc/15/66/51/1020156651.db2.gz NPOOMIJNCPEHCF-LJQANCHMSA-N 1 1 309.388 3.774 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000154845366 1020156654 /nfs/dbraw/zinc/15/66/54/1020156654.db2.gz NPOOMIJNCPEHCF-LJQANCHMSA-N 1 1 309.388 3.774 20 30 DHEDMO CC(C)n1ncc2cc(C[N@@H+](C)Cc3ccc(C#N)cc3)cnc21 ZINC000154843668 1020157034 /nfs/dbraw/zinc/15/70/34/1020157034.db2.gz DJUHZUWIFKORJV-UHFFFAOYSA-N 1 1 319.412 3.516 20 30 DHEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093689499 1020167235 /nfs/dbraw/zinc/16/72/35/1020167235.db2.gz KMBMUZSGRJOWED-HNAYVOBHSA-N 1 1 316.408 3.584 20 30 DHEDMO Cc1nsc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1C#N ZINC000329358586 1020170104 /nfs/dbraw/zinc/17/01/04/1020170104.db2.gz GFCMHYFOUPHZDU-DZGCQCFKSA-N 1 1 312.442 3.571 20 30 DHEDMO Cc1nsc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1C#N ZINC000329358588 1020172454 /nfs/dbraw/zinc/17/24/54/1020172454.db2.gz GFCMHYFOUPHZDU-UKRRQHHQSA-N 1 1 312.442 3.571 20 30 DHEDMO CCC1CCC([N@@H+](C)CCC(=O)Nc2sccc2C#N)CC1 ZINC000330603712 1020234341 /nfs/dbraw/zinc/23/43/41/1020234341.db2.gz GDHJPDPBLPTIAG-UHFFFAOYSA-N 1 1 319.474 3.849 20 30 DHEDMO Cn1c2ccccc2nc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000130394107 1032886295 /nfs/dbraw/zinc/88/62/95/1032886295.db2.gz VSVIRNMKGOTABG-INIZCTEOSA-N 1 1 304.397 3.708 20 30 DHEDMO CCS[C@@H]1CCCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000732569309 1020254660 /nfs/dbraw/zinc/25/46/60/1020254660.db2.gz KBRMHCADXBHBDK-GOSISDBHSA-N 1 1 318.486 3.935 20 30 DHEDMO C=CC[N@@H+](CC1CCCCC1)Cn1cc(Br)cn1 ZINC000732670048 1020266604 /nfs/dbraw/zinc/26/66/04/1020266604.db2.gz JNALUJQKOUEHBB-UHFFFAOYSA-N 1 1 312.255 3.671 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)ccc1F ZINC000280956178 1020318918 /nfs/dbraw/zinc/31/89/18/1020318918.db2.gz JDTIQRMFRLMORZ-QXAKKESOSA-N 1 1 316.420 3.603 20 30 DHEDMO CCCCCCCCCC[C@H](C)OCC[C@H]([NH3+])C(=O)OC ZINC001217893800 1020331001 /nfs/dbraw/zinc/33/10/01/1020331001.db2.gz UDXJINUXMDHLGM-HOTGVXAUSA-N 1 1 301.471 3.813 20 30 DHEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cncc(Br)c1 ZINC000903108555 1020352125 /nfs/dbraw/zinc/35/21/25/1020352125.db2.gz DCXPVCIPQFDYTB-NSHDSACASA-N 1 1 308.223 3.579 20 30 DHEDMO C#CCOc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2F)cc1 ZINC000733324984 1020371862 /nfs/dbraw/zinc/37/18/62/1020371862.db2.gz PTBYGVULOVHEET-ZDUSSCGKSA-N 1 1 301.336 3.828 20 30 DHEDMO COc1cc(C)c(C[N@@H+](C)Cc2cc(C#N)cs2)cc1OC ZINC000120108400 1020392818 /nfs/dbraw/zinc/39/28/18/1020392818.db2.gz SRGBRWWTZRTNEC-UHFFFAOYSA-N 1 1 316.426 3.577 20 30 DHEDMO Cc1ccnc(NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000310411472 1020396659 /nfs/dbraw/zinc/39/66/59/1020396659.db2.gz WWCSTBLRPLYSEF-HXUWFJFHSA-N 1 1 320.440 3.586 20 30 DHEDMO CCc1ccc(C[N@@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000337124425 1032898991 /nfs/dbraw/zinc/89/89/91/1032898991.db2.gz CVKFVDDDZMZABB-UHFFFAOYSA-N 1 1 300.446 3.781 20 30 DHEDMO N#Cc1cccc(Cl)c1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161883674 1020425832 /nfs/dbraw/zinc/42/58/32/1020425832.db2.gz WSOIISZPHXPKHE-PBHICJAKSA-N 1 1 315.848 3.665 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)cc(OC)c1O ZINC000130758171 1032901411 /nfs/dbraw/zinc/90/14/11/1032901411.db2.gz DOCFAQVFJPMULP-UHFFFAOYSA-N 1 1 322.408 3.633 20 30 DHEDMO C=CCOCCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000348049628 1020484638 /nfs/dbraw/zinc/48/46/38/1020484638.db2.gz IQWQCGSWQFFIGF-OAHLLOKOSA-N 1 1 320.502 3.794 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCNc1nc2c(cc1C#N)CCCC2 ZINC000301099732 1020502785 /nfs/dbraw/zinc/50/27/85/1020502785.db2.gz QVHGPPJFMGLHKL-HNNXBMFYSA-N 1 1 312.461 3.508 20 30 DHEDMO C[N@@H+](Cc1ccccc1)[C@H](C/N=C/c1ccccc1O)C1CC1 ZINC000186848782 1020508276 /nfs/dbraw/zinc/50/82/76/1020508276.db2.gz QAUKATNBYPDLPD-DBRLUCFCSA-N 1 1 308.425 3.722 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](OCC)C1CC1 ZINC000625422145 1020510694 /nfs/dbraw/zinc/51/06/94/1020510694.db2.gz DYOBLTPVYSNUTA-GOSISDBHSA-N 1 1 305.466 3.657 20 30 DHEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000301419263 1020512222 /nfs/dbraw/zinc/51/22/22/1020512222.db2.gz DGQSABHDFSWEBJ-GOSISDBHSA-N 1 1 323.415 3.656 20 30 DHEDMO C[C@@H](C[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)CO)c1ccccc1 ZINC000554279397 1020538463 /nfs/dbraw/zinc/53/84/63/1020538463.db2.gz KRDAEFMKBDDCQU-IRXDYDNUSA-N 1 1 308.425 3.545 20 30 DHEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc(OC)cc1Cl ZINC000734159670 1020569030 /nfs/dbraw/zinc/56/90/30/1020569030.db2.gz VDEDYDNELUNPEA-UHFFFAOYSA-N 1 1 315.800 3.650 20 30 DHEDMO CC[C@@H](C)C[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000303475089 1020583216 /nfs/dbraw/zinc/58/32/16/1020583216.db2.gz ONSQIXXJGRZELR-GFCCVEGCSA-N 1 1 307.825 3.518 20 30 DHEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CCCC2(C#N)CCOCC2)s1 ZINC000337194840 1032916705 /nfs/dbraw/zinc/91/67/05/1032916705.db2.gz VNRMRKCAZNUALF-AWEZNQCLSA-N 1 1 321.490 3.853 20 30 DHEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303593535 1020585046 /nfs/dbraw/zinc/58/50/46/1020585046.db2.gz SSXVMPMNNGYZTE-UZLBHIALSA-N 1 1 323.440 3.708 20 30 DHEDMO Cc1cc(C)c(C#N)c(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000360864410 1020594240 /nfs/dbraw/zinc/59/42/40/1020594240.db2.gz MMHSOJMRFLZEOB-HNAYVOBHSA-N 1 1 320.440 3.503 20 30 DHEDMO C[C@@H](NN=C1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000734365656 1020595665 /nfs/dbraw/zinc/59/56/65/1020595665.db2.gz OVTJRSBAYBETCW-DLBZAZTESA-N 1 1 322.456 3.630 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1nc(-c2ccco2)no1 ZINC000065959537 1020602211 /nfs/dbraw/zinc/60/22/11/1020602211.db2.gz VTRMMLTVZFZWEY-UHFFFAOYSA-N 1 1 309.369 3.560 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nc(-c2ccco2)no1 ZINC000065959537 1020602217 /nfs/dbraw/zinc/60/22/17/1020602217.db2.gz VTRMMLTVZFZWEY-UHFFFAOYSA-N 1 1 309.369 3.560 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2ncnn2-c2ccccc2)CCCC1(C)C ZINC000337221217 1032922124 /nfs/dbraw/zinc/92/21/24/1032922124.db2.gz CIHMTIPELDGSOJ-QGZVFWFLSA-N 1 1 310.445 3.834 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](CN[C@@H](C)c1c(C)noc1C)C(C)C ZINC000924644448 1032924753 /nfs/dbraw/zinc/92/47/53/1032924753.db2.gz YSDCDKBINBZDIC-WMLDXEAASA-N 1 1 305.466 3.641 20 30 DHEDMO CCC(CC)[N@@H+](CCOC)Cc1cc(Cl)ccc1OCC#N ZINC000735309288 1020721319 /nfs/dbraw/zinc/72/13/19/1020721319.db2.gz KYHJVORXQCKFDF-UHFFFAOYSA-N 1 1 324.852 3.879 20 30 DHEDMO CCCCCC[N@@H+](C)CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000735657997 1020761401 /nfs/dbraw/zinc/76/14/01/1020761401.db2.gz QMXYSFNPSRZIKF-INIZCTEOSA-N 1 1 321.852 3.533 20 30 DHEDMO C[C@H]1SCC[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]1C ZINC000735674821 1020762150 /nfs/dbraw/zinc/76/21/50/1020762150.db2.gz WDKIHDUXYRAMCJ-NWDGAFQWSA-N 1 1 310.850 3.568 20 30 DHEDMO C[C@H]1SCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]1C ZINC000735674821 1020762156 /nfs/dbraw/zinc/76/21/56/1020762156.db2.gz WDKIHDUXYRAMCJ-NWDGAFQWSA-N 1 1 310.850 3.568 20 30 DHEDMO C[NH+](C)Cc1cc(NC(=O)C2(C#N)CCCCC2)ccc1Cl ZINC000337247528 1032927919 /nfs/dbraw/zinc/92/79/19/1032927919.db2.gz KEDRQQXYGZSDOV-UHFFFAOYSA-N 1 1 319.836 3.814 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000661378569 1020793104 /nfs/dbraw/zinc/79/31/04/1020793104.db2.gz JDKACTNXCHJANV-CQSZACIVSA-N 1 1 313.401 3.533 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000580009217 1020797965 /nfs/dbraw/zinc/79/79/65/1020797965.db2.gz AEFJWHYUJROTGT-JXFKEZNVSA-N 1 1 317.436 3.756 20 30 DHEDMO CCOc1cc2c(cc1C[NH2+]CC#Cc1ccccc1)O[C@H](C)C2 ZINC000736355447 1020809901 /nfs/dbraw/zinc/80/99/01/1020809901.db2.gz MHDJCWIICYWHTF-MRXNPFEDSA-N 1 1 321.420 3.550 20 30 DHEDMO C=CCCCCC[N@H+](C)Cn1nc(C)c(Br)c1C ZINC000739885911 1020919533 /nfs/dbraw/zinc/91/95/33/1020919533.db2.gz STSPIYTWDLZQLX-UHFFFAOYSA-N 1 1 314.271 3.898 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000740000726 1020923323 /nfs/dbraw/zinc/92/33/23/1020923323.db2.gz PNJBNVGARLEHIQ-HNNXBMFYSA-N 1 1 320.421 3.820 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1cc(=O)oc2cc(O)ccc12 ZINC000739932256 1020925121 /nfs/dbraw/zinc/92/51/21/1020925121.db2.gz ZVYFGHAHXCXDBC-UHFFFAOYSA-N 1 1 301.386 3.677 20 30 DHEDMO C[C@H]1C[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)S1 ZINC000582153624 1020927570 /nfs/dbraw/zinc/92/75/70/1020927570.db2.gz CCVTVWQMLAUMEE-QWRGUYRKSA-N 1 1 314.376 3.903 20 30 DHEDMO CC[N@H+]1CC[C@@H](N(C)c2nc(C(C)(C)C)ccc2C#N)C[C@@H]1C ZINC000613425668 1020949191 /nfs/dbraw/zinc/94/91/91/1020949191.db2.gz FKKAAGXFECPQEE-GOEBONIOSA-N 1 1 314.477 3.560 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)C1CCCCCCC1 ZINC000740875783 1020957871 /nfs/dbraw/zinc/95/78/71/1020957871.db2.gz IVJNCGCJIHBFAK-UHFFFAOYSA-N 1 1 316.445 3.990 20 30 DHEDMO CC(C)c1ccccc1NC(=S)NN=C1CC[N@@H+](C)[C@H](C)C1 ZINC000741465181 1021009654 /nfs/dbraw/zinc/00/96/54/1021009654.db2.gz XKCHVZPZFSNLII-CYBMUJFWSA-N 1 1 318.490 3.567 20 30 DHEDMO C=CCOc1cccc(C[N@H+](C)Cc2ccc(Cl)nc2)c1 ZINC000125723873 1032954433 /nfs/dbraw/zinc/95/44/33/1032954433.db2.gz CMVJPXBBKAKPDS-UHFFFAOYSA-N 1 1 302.805 3.932 20 30 DHEDMO CCCCCCCCCC[N@H+]1CCc2nn(CC)c(=O)cc2C1 ZINC000742428526 1021122537 /nfs/dbraw/zinc/12/25/37/1021122537.db2.gz WJRCGKDLLUOOQO-UHFFFAOYSA-N 1 1 319.493 3.762 20 30 DHEDMO CC(C)(C)c1ccc(-c2noc([C@@H]([NH3+])CC(F)F)n2)c(C#N)c1 ZINC001211643201 1021207687 /nfs/dbraw/zinc/20/76/87/1021207687.db2.gz TUEVYRKAUONRQK-LBPRGKRZSA-N 1 1 320.343 3.561 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@H](C)C(C)C ZINC000177176788 1021220096 /nfs/dbraw/zinc/22/00/96/1021220096.db2.gz RDUZZWUCKOOIPN-GFCCVEGCSA-N 1 1 307.463 3.542 20 30 DHEDMO COc1ccc(C[N@H+](C)CC#Cc2ccc(Cl)cc2)cc1O ZINC000177225838 1021229935 /nfs/dbraw/zinc/22/99/35/1021229935.db2.gz QVBHSCNUWWGBCP-UHFFFAOYSA-N 1 1 315.800 3.538 20 30 DHEDMO COc1ccc(C[N@@H+](C)CC#Cc2ccc(Cl)cc2)cc1O ZINC000177225838 1021229946 /nfs/dbraw/zinc/22/99/46/1021229946.db2.gz QVBHSCNUWWGBCP-UHFFFAOYSA-N 1 1 315.800 3.538 20 30 DHEDMO C=CC[N@H+](Cn1ccn(Cc2ccccc2)c1=S)C(C)C ZINC000917481761 1021275223 /nfs/dbraw/zinc/27/52/23/1021275223.db2.gz YWSQEOFPZVLVNW-UHFFFAOYSA-N 1 1 301.459 3.921 20 30 DHEDMO C=CC[N@@H+](Cn1ccn(Cc2ccccc2)c1=S)C(C)C ZINC000917481761 1021275239 /nfs/dbraw/zinc/27/52/39/1021275239.db2.gz YWSQEOFPZVLVNW-UHFFFAOYSA-N 1 1 301.459 3.921 20 30 DHEDMO N#Cc1ccc(-c2ccn(C[N@H+]3CCC4(CCCC4)C3)n2)cc1 ZINC000743389671 1021282141 /nfs/dbraw/zinc/28/21/41/1021282141.db2.gz GEFKJLRJICDNKW-UHFFFAOYSA-N 1 1 306.413 3.645 20 30 DHEDMO CSc1c[nH]c2nc[nH+]c(N[C@@H](C)c3cccc(C#N)c3)c12 ZINC001167707275 1021282644 /nfs/dbraw/zinc/28/26/44/1021282644.db2.gz NAARDZCQKBDGRK-JTQLQIEISA-N 1 1 309.398 3.725 20 30 DHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(OCC#N)cc2)C1 ZINC000743868895 1021395536 /nfs/dbraw/zinc/39/55/36/1021395536.db2.gz HEVNGMNMMVRZOU-DOTOQJQBSA-N 1 1 304.459 3.695 20 30 DHEDMO N#C[C@@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172074907 1032983016 /nfs/dbraw/zinc/98/30/16/1032983016.db2.gz MQNTVOGAWYPRPF-UWHLTILDSA-N 1 1 323.484 3.808 20 30 DHEDMO C[C@]1(C#N)CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172091054 1032985215 /nfs/dbraw/zinc/98/52/15/1032985215.db2.gz ZZSRRCRWVLAANB-PLACYPQZSA-N 1 1 323.484 3.808 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CN1C[C@@H](CC(C)C)CC1=O ZINC000744433754 1021541887 /nfs/dbraw/zinc/54/18/87/1021541887.db2.gz LKJLTSTVLOVKRO-IBGZPJMESA-N 1 1 314.473 3.569 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CN1C[C@@H](CC(C)C)CC1=O ZINC000744433754 1021541891 /nfs/dbraw/zinc/54/18/91/1021541891.db2.gz LKJLTSTVLOVKRO-IBGZPJMESA-N 1 1 314.473 3.569 20 30 DHEDMO N#CC1(CN[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC001172067935 1032989170 /nfs/dbraw/zinc/98/91/70/1032989170.db2.gz OOHWZTKLZIGRJN-OWZKRDHZSA-N 1 1 323.484 3.856 20 30 DHEDMO COc1ccc2c(c1)CCC[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC000538138570 1032994531 /nfs/dbraw/zinc/99/45/31/1032994531.db2.gz XXXDCFBOZOKOBL-UHFFFAOYSA-N 1 1 310.372 3.654 20 30 DHEDMO COc1ccc2c(c1)CCC[N@H+](Cc1cccc(C#N)c1F)C2 ZINC000538138570 1032994541 /nfs/dbraw/zinc/99/45/41/1032994541.db2.gz XXXDCFBOZOKOBL-UHFFFAOYSA-N 1 1 310.372 3.654 20 30 DHEDMO C=CCC1(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC000619108230 1021634244 /nfs/dbraw/zinc/63/42/44/1021634244.db2.gz QSGXXIXTCGNVPJ-INIZCTEOSA-N 1 1 304.478 3.646 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2ccc(C(F)F)c(F)c2)CC1 ZINC000892881593 1021658193 /nfs/dbraw/zinc/65/81/93/1021658193.db2.gz YPTMNEXWFFXRNX-UHFFFAOYSA-N 1 1 312.379 3.893 20 30 DHEDMO C=CCOc1ccc(CN2CC[C@H](C[N@H+](C)CC)C2)cc1Cl ZINC000093769984 1021676294 /nfs/dbraw/zinc/67/62/94/1021676294.db2.gz DIZBOOZTJJCDBM-MRXNPFEDSA-N 1 1 322.880 3.678 20 30 DHEDMO C[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C[C@@H]1n1ccnc1 ZINC000930053693 1021702862 /nfs/dbraw/zinc/70/28/62/1021702862.db2.gz BXGMYVNCXCFOJE-IRXDYDNUSA-N 1 1 300.450 3.630 20 30 DHEDMO CC(C)[N@H+]1CCC[C@H](COC(=O)CC2(C#N)CCCCC2)C1 ZINC000851096422 1021736470 /nfs/dbraw/zinc/73/64/70/1021736470.db2.gz OKZOTMGGDJTPKN-INIZCTEOSA-N 1 1 306.450 3.514 20 30 DHEDMO CCOc1ccc(C[NH2+]Cc2cccc(O[C@H](C#N)CC)c2)o1 ZINC000892971919 1021750013 /nfs/dbraw/zinc/75/00/13/1021750013.db2.gz GMOWLDSRCFHPCN-HNNXBMFYSA-N 1 1 314.385 3.649 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000556518050 1021751958 /nfs/dbraw/zinc/75/19/58/1021751958.db2.gz CTUBTUJYQWTION-DLBZAZTESA-N 1 1 323.358 3.700 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@](CO)(CCC)C2)cc1Cl ZINC000572563594 1021895726 /nfs/dbraw/zinc/89/57/26/1021895726.db2.gz HIJXNNRETAKCED-GOSISDBHSA-N 1 1 323.864 3.889 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000311142709 1021910242 /nfs/dbraw/zinc/91/02/42/1021910242.db2.gz LNDRNJKXMWVPSG-TXEJJXNPSA-N 1 1 307.235 3.799 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(Br)cc2C#N)C1 ZINC000311142709 1021910245 /nfs/dbraw/zinc/91/02/45/1021910245.db2.gz LNDRNJKXMWVPSG-TXEJJXNPSA-N 1 1 307.235 3.799 20 30 DHEDMO C=C(C)COc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1OC ZINC000556910274 1021943650 /nfs/dbraw/zinc/94/36/50/1021943650.db2.gz ZJQSBWNQXNWLAQ-UHFFFAOYSA-N 1 1 302.418 3.632 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1OC ZINC000556910274 1021943658 /nfs/dbraw/zinc/94/36/58/1021943658.db2.gz ZJQSBWNQXNWLAQ-UHFFFAOYSA-N 1 1 302.418 3.632 20 30 DHEDMO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001172113769 1033021150 /nfs/dbraw/zinc/02/11/50/1033021150.db2.gz LUJMUDUSAXUQAN-ACDBMABISA-N 1 1 323.484 3.559 20 30 DHEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001172113769 1033021157 /nfs/dbraw/zinc/02/11/57/1033021157.db2.gz LUJMUDUSAXUQAN-ACDBMABISA-N 1 1 323.484 3.559 20 30 DHEDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000198505883 1022029433 /nfs/dbraw/zinc/02/94/33/1022029433.db2.gz VDWDMMUUSYECPC-UHFFFAOYSA-N 1 1 321.424 3.797 20 30 DHEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000852087783 1022071148 /nfs/dbraw/zinc/07/11/48/1022071148.db2.gz TZLGNPMIHSTBCO-GOSISDBHSA-N 1 1 321.424 3.602 20 30 DHEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc(-c2ccccc2OC)n1 ZINC000852097996 1022071601 /nfs/dbraw/zinc/07/16/01/1022071601.db2.gz CEAMLGXJYZKYLZ-KRWDZBQOSA-N 1 1 300.427 3.710 20 30 DHEDMO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000852099899 1022075468 /nfs/dbraw/zinc/07/54/68/1022075468.db2.gz RFVWYNZQFIXKHP-BZNIZROVSA-N 1 1 303.793 3.843 20 30 DHEDMO C=CCC[N@@H+](Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000132460855 1033024095 /nfs/dbraw/zinc/02/40/95/1033024095.db2.gz YUFUDTMXGAKFGD-UHFFFAOYSA-N 1 1 324.424 3.750 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000852412191 1022117324 /nfs/dbraw/zinc/11/73/24/1022117324.db2.gz ZGDFENVIZHHFMX-QGZVFWFLSA-N 1 1 312.457 3.711 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc3c(C)nn(C)c3nc2Cl)C1 ZINC000852411989 1022117537 /nfs/dbraw/zinc/11/75/37/1022117537.db2.gz XOZBJCZFKUFNFU-CYBMUJFWSA-N 1 1 318.852 3.718 20 30 DHEDMO CCCCCCCC[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000746472474 1022125339 /nfs/dbraw/zinc/12/53/39/1022125339.db2.gz QFVXNTXAIQOAMC-HZPDHXFCSA-N 1 1 303.512 3.635 20 30 DHEDMO COCC[N@H+](CCF)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000852482758 1022126982 /nfs/dbraw/zinc/12/69/82/1022126982.db2.gz MZOGHAHCWRKWNW-UHFFFAOYSA-N 1 1 312.388 3.643 20 30 DHEDMO COCC[N@@H+](CCF)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000852482758 1022126988 /nfs/dbraw/zinc/12/69/88/1022126988.db2.gz MZOGHAHCWRKWNW-UHFFFAOYSA-N 1 1 312.388 3.643 20 30 DHEDMO C[C@H]1[C@H](C)[N@@H+](CCCC(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC000776604950 1022143311 /nfs/dbraw/zinc/14/33/11/1022143311.db2.gz YMVQIUNQOPZSBO-GJZGRUSLSA-N 1 1 323.481 3.646 20 30 DHEDMO C[N@H+](Cc1ccc(OCC#N)cc1)C[C@H]1CCc2ccccc21 ZINC000852725018 1022168171 /nfs/dbraw/zinc/16/81/71/1022168171.db2.gz SZELPXUOYGQRBD-GOSISDBHSA-N 1 1 306.409 3.751 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)c1O ZINC000920863792 1022181219 /nfs/dbraw/zinc/18/12/19/1022181219.db2.gz CKJROUZPBNFBPK-CQSZACIVSA-N 1 1 319.445 3.519 20 30 DHEDMO N#Cc1ccc(C[NH+]2C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 ZINC000076181994 1022186376 /nfs/dbraw/zinc/18/63/76/1022186376.db2.gz MPDHFIKDZLGYQZ-VXGBXAGGSA-N 1 1 322.252 3.731 20 30 DHEDMO CC[NH+]1CCC(/N=C\c2cc(Cl)cc(Cl)c2O)CC1 ZINC000920943907 1022194011 /nfs/dbraw/zinc/19/40/11/1022194011.db2.gz DSSACGKTONCMNJ-MFOYZWKCSA-N 1 1 301.217 3.602 20 30 DHEDMO C=CCn1c(SC[C@H]2CCCC[N@@H+]2C(C)C)nnc1C1CC1 ZINC000339120468 1022195695 /nfs/dbraw/zinc/19/56/95/1022195695.db2.gz ZVTSXNZPWRCJQS-OAHLLOKOSA-N 1 1 320.506 3.697 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000538328474 1033035623 /nfs/dbraw/zinc/03/56/23/1033035623.db2.gz YZWVKXUCGSPIQR-XJKSGUPXSA-N 1 1 308.853 3.804 20 30 DHEDMO CCCCCCCCC[N@H+](C)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000921052501 1022208851 /nfs/dbraw/zinc/20/88/51/1022208851.db2.gz YLJLLWGLFZJJQE-IRXDYDNUSA-N 1 1 320.477 3.578 20 30 DHEDMO CCCCCCCCC[N@@H+](C)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000921052501 1022208859 /nfs/dbraw/zinc/20/88/59/1022208859.db2.gz YLJLLWGLFZJJQE-IRXDYDNUSA-N 1 1 320.477 3.578 20 30 DHEDMO CCCCCCCCC[N@H+](C)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000921052500 1022210610 /nfs/dbraw/zinc/21/06/10/1022210610.db2.gz YLJLLWGLFZJJQE-IAGOWNOFSA-N 1 1 320.477 3.578 20 30 DHEDMO CCCCCCCCC[N@@H+](C)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000921052500 1022210623 /nfs/dbraw/zinc/21/06/23/1022210623.db2.gz YLJLLWGLFZJJQE-IAGOWNOFSA-N 1 1 320.477 3.578 20 30 DHEDMO C[C@H]1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000120229565 1022226523 /nfs/dbraw/zinc/22/65/23/1022226523.db2.gz IOZFCFSOWMIYRN-UWJYYQICSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@H]1C[C@@H](CNCc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000120229565 1022226535 /nfs/dbraw/zinc/22/65/35/1022226535.db2.gz IOZFCFSOWMIYRN-UWJYYQICSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@H]1C[C@@H](CNCc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000120229565 1022226540 /nfs/dbraw/zinc/22/65/40/1022226540.db2.gz IOZFCFSOWMIYRN-UWJYYQICSA-N 1 1 319.452 3.558 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c(Cl)c1 ZINC000615231233 1022254073 /nfs/dbraw/zinc/25/40/73/1022254073.db2.gz IIBLALQCKFDGPX-INIZCTEOSA-N 1 1 311.816 3.671 20 30 DHEDMO C=CC[N@@H+](CCC(C)C)[C@H](Cc1ccccc1)C(=O)OCC ZINC001169291977 1022344220 /nfs/dbraw/zinc/34/42/20/1022344220.db2.gz GUOPEKLAHSJSGC-GOSISDBHSA-N 1 1 303.446 3.695 20 30 DHEDMO C=CC[N@H+](CCC(C)C)[C@H](Cc1ccccc1)C(=O)OCC ZINC001169291977 1022344234 /nfs/dbraw/zinc/34/42/34/1022344234.db2.gz GUOPEKLAHSJSGC-GOSISDBHSA-N 1 1 303.446 3.695 20 30 DHEDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)CC(C)(C)CCC#N ZINC000154964892 1022347089 /nfs/dbraw/zinc/34/70/89/1022347089.db2.gz QUFCUDRCDRJFNJ-MRXNPFEDSA-N 1 1 316.445 3.628 20 30 DHEDMO CCc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000609766493 1022349342 /nfs/dbraw/zinc/34/93/42/1022349342.db2.gz WYZUZXYFADULBB-UHFFFAOYSA-N 1 1 319.452 3.833 20 30 DHEDMO CCc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000609766367 1022351752 /nfs/dbraw/zinc/35/17/52/1022351752.db2.gz SVWPCQDQKSBYNL-UHFFFAOYSA-N 1 1 323.415 3.582 20 30 DHEDMO Cc1nccc([C@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000609822912 1022359953 /nfs/dbraw/zinc/35/99/53/1022359953.db2.gz RAKUPVSHQAZGOE-KDOFPFPSSA-N 1 1 306.413 3.597 20 30 DHEDMO C=CC[C@H]1CCN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)C1 ZINC000628487211 1022368888 /nfs/dbraw/zinc/36/88/88/1022368888.db2.gz ZWBFOWNVJPQCBC-KRWDZBQOSA-N 1 1 314.473 3.955 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@@H+]([C@@H]1CSc3ccccc3C1)C2 ZINC001172195242 1033053445 /nfs/dbraw/zinc/05/34/45/1033053445.db2.gz GUNCBTFRIGTFPT-SFHVURJKSA-N 1 1 306.434 3.633 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)OC(C)(C)C ZINC000610012902 1022406372 /nfs/dbraw/zinc/40/63/72/1022406372.db2.gz KXXSMBOBIYQPDD-CQSZACIVSA-N 1 1 302.418 3.500 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)OC(C)(C)C ZINC000610012902 1022406376 /nfs/dbraw/zinc/40/63/76/1022406376.db2.gz KXXSMBOBIYQPDD-CQSZACIVSA-N 1 1 302.418 3.500 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@H]1CSc3ccccc3C1)CC2 ZINC001172194100 1033054470 /nfs/dbraw/zinc/05/44/70/1033054470.db2.gz AWRLNSHVUZVBTK-GOSISDBHSA-N 1 1 306.434 3.633 20 30 DHEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(OC(F)(F)F)c1 ZINC000175708242 1022427572 /nfs/dbraw/zinc/42/75/72/1022427572.db2.gz DQIRJIBHBIDWNJ-NEPJUHHUSA-N 1 1 311.307 3.679 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001169540647 1022444685 /nfs/dbraw/zinc/44/46/85/1022444685.db2.gz NPRBDHBBXMFLRT-IMFGXOCKSA-N 1 1 314.473 3.616 20 30 DHEDMO C#C[C@@](C)(CC)Nc1cc(NC(=O)Nc2ccccc2)cc[nH+]1 ZINC001169689258 1022501843 /nfs/dbraw/zinc/50/18/43/1022501843.db2.gz GOPIHLBNVVYYKE-SFHVURJKSA-N 1 1 308.385 3.939 20 30 DHEDMO CCCCCCCC[C@H](C)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000854605032 1022502031 /nfs/dbraw/zinc/50/20/31/1022502031.db2.gz GQWZVECMESBUNJ-PKOBYXMFSA-N 1 1 308.510 3.927 20 30 DHEDMO Cc1c[nH+]c(NC23CCC(C#N)(CC2)CC3)c([Si](C)(C)C)c1 ZINC001169746852 1022522331 /nfs/dbraw/zinc/52/23/31/1022522331.db2.gz RATFGOQMGSBQKS-UHFFFAOYSA-N 1 1 313.521 3.964 20 30 DHEDMO CCC[C@@]1(COC)CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001169779804 1022542164 /nfs/dbraw/zinc/54/21/64/1022542164.db2.gz DCFXNCKUNWQYAV-IBGZPJMESA-N 1 1 316.445 3.608 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CCc2ccccc2)nc1 ZINC000566415395 1022587402 /nfs/dbraw/zinc/58/74/02/1022587402.db2.gz DQOSCQMZJYFLSW-FQEVSTJZSA-N 1 1 305.425 3.941 20 30 DHEDMO N#CC1CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000179924330 1022588264 /nfs/dbraw/zinc/58/82/64/1022588264.db2.gz FDVMJFHGZYBYIZ-UHFFFAOYSA-N 1 1 303.837 3.676 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000776797662 1022593659 /nfs/dbraw/zinc/59/36/59/1022593659.db2.gz KUUCCKQQXXQZNX-LEWJYISDSA-N 1 1 320.436 3.955 20 30 DHEDMO C#CCCC[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@@H]21 ZINC000766915837 1022608644 /nfs/dbraw/zinc/60/86/44/1022608644.db2.gz IHIIQHJEYOLDCB-QQXKLLMISA-N 1 1 318.505 3.584 20 30 DHEDMO CC[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@H](C)C#N ZINC000068333528 1022610208 /nfs/dbraw/zinc/61/02/08/1022610208.db2.gz OREPRJDKMSUIPC-MRXNPFEDSA-N 1 1 309.413 3.642 20 30 DHEDMO CC[N@H+](Cc1ccc(OCc2ccccn2)cc1)C[C@H](C)C#N ZINC000068333528 1022610213 /nfs/dbraw/zinc/61/02/13/1022610213.db2.gz OREPRJDKMSUIPC-MRXNPFEDSA-N 1 1 309.413 3.642 20 30 DHEDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000616135538 1022645719 /nfs/dbraw/zinc/64/57/19/1022645719.db2.gz XWFOJRRGNNADAX-FQEVSTJZSA-N 1 1 314.473 3.861 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000125963177 1033071010 /nfs/dbraw/zinc/07/10/10/1033071010.db2.gz UQZUXUBLGRPDGU-QGZVFWFLSA-N 1 1 313.445 3.528 20 30 DHEDMO FC(F)(F)C1CCC(C=[NH+]n2cc(Br)cn2)CC1 ZINC000767387595 1022708400 /nfs/dbraw/zinc/70/84/00/1022708400.db2.gz JYZDYYGSRRQVIX-UHFFFAOYSA-N 1 1 324.144 3.848 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001172308252 1033078720 /nfs/dbraw/zinc/07/87/20/1033078720.db2.gz VNLIDSQGDSVZGR-UZLBHIALSA-N 1 1 306.409 3.643 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+](CC2CC2)C2CCCCC2)c1=S ZINC000068878832 1022778291 /nfs/dbraw/zinc/77/82/91/1022778291.db2.gz CYJGXWPYZQYLOS-UHFFFAOYSA-N 1 1 320.506 3.911 20 30 DHEDMO C=CCC[C@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617008761 1022825873 /nfs/dbraw/zinc/82/58/73/1022825873.db2.gz LOCKHAZSKACMGW-MSOLQXFVSA-N 1 1 314.473 3.725 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767874145 1022832023 /nfs/dbraw/zinc/83/20/23/1022832023.db2.gz GEIOOBSDLVVMSG-GDBMZVCRSA-N 1 1 313.363 3.822 20 30 DHEDMO C#Cc1cccc(NC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)c1 ZINC000856810467 1022874710 /nfs/dbraw/zinc/87/47/10/1022874710.db2.gz YBHFKIPOKNJKPK-LJQANCHMSA-N 1 1 318.420 3.729 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(F)cc1 ZINC000069071183 1022882050 /nfs/dbraw/zinc/88/20/50/1022882050.db2.gz MOIMCANMRSQVRX-LJQANCHMSA-N 1 1 312.388 3.641 20 30 DHEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]2C2CC2)c1 ZINC000617196440 1022885867 /nfs/dbraw/zinc/88/58/67/1022885867.db2.gz JNBIZOQOFFGIDD-OAHLLOKOSA-N 1 1 305.219 3.695 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cccnc1C#N ZINC000566535473 1022907033 /nfs/dbraw/zinc/90/70/33/1022907033.db2.gz ZABLFXZAAPYJTG-INIZCTEOSA-N 1 1 320.440 3.940 20 30 DHEDMO C#CCCOc1ccc(C[N@H+](C)Cc2ccccc2OC)cc1 ZINC000768162806 1022908417 /nfs/dbraw/zinc/90/84/17/1022908417.db2.gz IZLAIMSGJZHMOC-UHFFFAOYSA-N 1 1 309.409 3.729 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000876562302 1033092511 /nfs/dbraw/zinc/09/25/11/1033092511.db2.gz XQZKGBLEHIKBJZ-UHFFFAOYSA-N 1 1 311.816 3.986 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)COC2 ZINC000768334834 1022946998 /nfs/dbraw/zinc/94/69/98/1022946998.db2.gz POVSTMGACWHHGH-UHFFFAOYSA-N 1 1 306.409 3.999 20 30 DHEDMO C=CC1CCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857120736 1022950958 /nfs/dbraw/zinc/95/09/58/1022950958.db2.gz NMFRODOXDFYUJX-LJQANCHMSA-N 1 1 312.457 3.534 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2c(cc1O)CCCC2 ZINC000768441764 1022968756 /nfs/dbraw/zinc/96/87/56/1022968756.db2.gz MMOQLFAINJDFMZ-UHFFFAOYSA-N 1 1 306.409 3.775 20 30 DHEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CCC1 ZINC000418138657 1022972094 /nfs/dbraw/zinc/97/20/94/1022972094.db2.gz GSCMQLBPTRSTEY-UHFFFAOYSA-N 1 1 300.793 3.514 20 30 DHEDMO CCO[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)[C@H]1Sc1ccccc1 ZINC000418143757 1022973356 /nfs/dbraw/zinc/97/33/56/1022973356.db2.gz QWZQKUNCSNDDPV-BRWVUGGUSA-N 1 1 316.470 3.608 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)cc1OCCCC#N ZINC000418138794 1022974044 /nfs/dbraw/zinc/97/40/44/1022974044.db2.gz VBYYSUSETFGONZ-HRCADAONSA-N 1 1 316.445 3.854 20 30 DHEDMO CC(C)(C)OC(=O)[C@]1(C)CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000931111156 1022983157 /nfs/dbraw/zinc/98/31/57/1022983157.db2.gz FHHJLPJARRJBRF-JMLCCBQJSA-N 1 1 306.450 3.513 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCCC[C@H](CCOC)C2)cc1 ZINC000768541166 1022986582 /nfs/dbraw/zinc/98/65/82/1022986582.db2.gz LEOMXJKVRAOQRT-GOSISDBHSA-N 1 1 315.457 3.727 20 30 DHEDMO Cc1c(C[N@@H+](CCC#N)C(C)C)sc2nc(C)nc(C)c12 ZINC000768766621 1023017304 /nfs/dbraw/zinc/01/73/04/1023017304.db2.gz ZCDPVHABPPNLIR-UHFFFAOYSA-N 1 1 302.447 3.741 20 30 DHEDMO Cc1c(C[N@H+](CCC#N)C(C)C)sc2nc(C)nc(C)c12 ZINC000768766621 1023017317 /nfs/dbraw/zinc/01/73/17/1023017317.db2.gz ZCDPVHABPPNLIR-UHFFFAOYSA-N 1 1 302.447 3.741 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCNc1nc2ccccc2cc1CC#N ZINC001167751034 1023021930 /nfs/dbraw/zinc/02/19/30/1023021930.db2.gz DZERWALTQJPUCI-INIZCTEOSA-N 1 1 322.456 3.977 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc2c(ccnc2C#N)c1 ZINC001167754610 1023049100 /nfs/dbraw/zinc/04/91/00/1023049100.db2.gz SYZOUTSEGCHBRR-OAHLLOKOSA-N 1 1 308.429 3.783 20 30 DHEDMO C=CCCC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000617866590 1023083372 /nfs/dbraw/zinc/08/33/72/1023083372.db2.gz ROAKIOQQASGPBI-UHFFFAOYSA-N 1 1 315.442 3.795 20 30 DHEDMO C#CCOc1ccccc1C[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000769106639 1023085803 /nfs/dbraw/zinc/08/58/03/1023085803.db2.gz RXTPEBRJVZAIGW-UWJYYQICSA-N 1 1 321.420 3.661 20 30 DHEDMO C#CCOc1ccccc1C[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000769106639 1023085809 /nfs/dbraw/zinc/08/58/09/1023085809.db2.gz RXTPEBRJVZAIGW-UWJYYQICSA-N 1 1 321.420 3.661 20 30 DHEDMO C=CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(C#N)c1 ZINC000769104507 1023091844 /nfs/dbraw/zinc/09/18/44/1023091844.db2.gz IBVFEBOISRDLPN-UHFFFAOYSA-N 1 1 305.425 3.812 20 30 DHEDMO C#CC[N@H+](CC)Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000769103693 1023092258 /nfs/dbraw/zinc/09/22/58/1023092258.db2.gz AKLDCFOHRJNDCH-UHFFFAOYSA-N 1 1 309.409 3.826 20 30 DHEDMO C=CC[C@H]1CCCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000660404082 1023131257 /nfs/dbraw/zinc/13/12/57/1023131257.db2.gz XCMQHBZICUFRMT-ROUUACIJSA-N 1 1 321.509 3.639 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1CC[C@@H]1Sc2ccccc2NC1=O ZINC000660429756 1023175455 /nfs/dbraw/zinc/17/54/55/1023175455.db2.gz PCEZEEFMFKGCDD-CJNGLKHVSA-N 1 1 302.443 3.530 20 30 DHEDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000769548196 1023177523 /nfs/dbraw/zinc/17/75/23/1023177523.db2.gz HZBQQEAONMBAFJ-MOPGFXCFSA-N 1 1 306.409 3.972 20 30 DHEDMO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000769709054 1023198382 /nfs/dbraw/zinc/19/83/82/1023198382.db2.gz QBJCHHHZBOCEMI-HNNXBMFYSA-N 1 1 323.481 3.696 20 30 DHEDMO N#CC(CC[N@H+]1CC[C@@H]2C[C@@H]21)(c1ccccc1)c1ccccc1 ZINC000769772202 1023203789 /nfs/dbraw/zinc/20/37/89/1023203789.db2.gz UXZOSXAKKQXIEL-XLIONFOSSA-N 1 1 302.421 3.981 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2ccc(-n3ccnc3)nc2)CCCC1(C)C ZINC000769954567 1023244736 /nfs/dbraw/zinc/24/47/36/1023244736.db2.gz VCZWICJUAFMUTD-KRWDZBQOSA-N 1 1 310.445 3.834 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)CCSc1ccnc2cc(Cl)ccc21 ZINC000769962303 1023246756 /nfs/dbraw/zinc/24/67/56/1023246756.db2.gz WQTPBFTXULYCBP-GFCCVEGCSA-N 1 1 304.846 3.934 20 30 DHEDMO Cc1ccc(C[NH2+][C@@H](C)c2nc3ccccc3n2C)cc1C#N ZINC000859268289 1033116521 /nfs/dbraw/zinc/11/65/21/1033116521.db2.gz DFXPUBXOZKBJMU-AWEZNQCLSA-N 1 1 304.397 3.604 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000769978082 1023254739 /nfs/dbraw/zinc/25/47/39/1023254739.db2.gz PALXZSOXLHLJTD-AWEZNQCLSA-N 1 1 320.392 3.957 20 30 DHEDMO C#C[C@H](C)[N@H+](C)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000769978082 1023254750 /nfs/dbraw/zinc/25/47/50/1023254750.db2.gz PALXZSOXLHLJTD-AWEZNQCLSA-N 1 1 320.392 3.957 20 30 DHEDMO C#C[C@H](C)[N@H+](C)Cc1cc(Br)ccc1OC(F)F ZINC000769976174 1023254801 /nfs/dbraw/zinc/25/48/01/1023254801.db2.gz UYKOUHAZBQCDOC-VIFPVBQESA-N 1 1 318.161 3.504 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1OC(F)F ZINC000769976174 1023254807 /nfs/dbraw/zinc/25/48/07/1023254807.db2.gz UYKOUHAZBQCDOC-VIFPVBQESA-N 1 1 318.161 3.504 20 30 DHEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1c(C)cc(C#N)cc1C ZINC001170013582 1023287764 /nfs/dbraw/zinc/28/77/64/1023287764.db2.gz JAUGHJOAWBPRLF-FQEVSTJZSA-N 1 1 322.452 3.865 20 30 DHEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)C#Cc3ccccc3)c2C1 ZINC000746505763 1023386269 /nfs/dbraw/zinc/38/62/69/1023386269.db2.gz DFQNFYCSXUFQPQ-UHFFFAOYSA-N 1 1 318.420 3.648 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000876724732 1033128249 /nfs/dbraw/zinc/12/82/49/1033128249.db2.gz HAHJDYXNZZSFMX-AWEZNQCLSA-N 1 1 315.779 3.735 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000876724732 1033128256 /nfs/dbraw/zinc/12/82/56/1033128256.db2.gz HAHJDYXNZZSFMX-AWEZNQCLSA-N 1 1 315.779 3.735 20 30 DHEDMO N#Cc1cc(Cl)cc(C[NH+]2CCC(c3ncco3)CC2)c1 ZINC000931443063 1023411784 /nfs/dbraw/zinc/41/17/84/1023411784.db2.gz NBIIAUNBEALXSX-UHFFFAOYSA-N 1 1 301.777 3.579 20 30 DHEDMO C=CC[C@@H]1CC[C@@H](Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000651656607 1023424426 /nfs/dbraw/zinc/42/44/26/1023424426.db2.gz JNEDDIQZUYYYBF-VQIMIIECSA-N 1 1 300.446 3.676 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000876738432 1033131430 /nfs/dbraw/zinc/13/14/30/1033131430.db2.gz DKLOIAUBQLOMMQ-OWCLPIDISA-N 1 1 323.481 3.551 20 30 DHEDMO C#CC[N@H+](CCCP(=O)(OCC)OCC)C1CCCC1 ZINC000876784330 1033145449 /nfs/dbraw/zinc/14/54/49/1033145449.db2.gz CCDUIDOKTZHMRF-UHFFFAOYSA-N 1 1 301.367 3.520 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2OC(F)F)C1 ZINC000661376956 1023579971 /nfs/dbraw/zinc/57/99/71/1023579971.db2.gz HOLPZWUJPSXCAO-ZDUSSCGKSA-N 1 1 324.371 3.515 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)C1 ZINC000661381174 1023585106 /nfs/dbraw/zinc/58/51/06/1023585106.db2.gz WVBWZWDFLPUKNV-ZBFHGGJFSA-N 1 1 316.445 3.693 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)C1 ZINC000661381174 1023585107 /nfs/dbraw/zinc/58/51/07/1023585107.db2.gz WVBWZWDFLPUKNV-ZBFHGGJFSA-N 1 1 316.445 3.693 20 30 DHEDMO C=CCCCCC[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000785674516 1023602429 /nfs/dbraw/zinc/60/24/29/1023602429.db2.gz BRIVBAUNZBRNCF-MRXNPFEDSA-N 1 1 310.482 3.970 20 30 DHEDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000786127317 1023665989 /nfs/dbraw/zinc/66/59/89/1023665989.db2.gz ZJJOLUXOWLWQGY-ZLGUVYLKSA-N 1 1 320.436 3.778 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066899564 1023706561 /nfs/dbraw/zinc/70/65/61/1023706561.db2.gz VCPXKYYESOFCHQ-SFHVURJKSA-N 1 1 320.392 3.667 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066899564 1023706569 /nfs/dbraw/zinc/70/65/69/1023706569.db2.gz VCPXKYYESOFCHQ-SFHVURJKSA-N 1 1 320.392 3.667 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)C(C)(C)C ZINC000661760345 1023735628 /nfs/dbraw/zinc/73/56/28/1023735628.db2.gz RXSLZEHXQITGHU-UHFFFAOYSA-N 1 1 302.418 3.504 20 30 DHEDMO Cc1cc(F)ccc1[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000746663056 1023774333 /nfs/dbraw/zinc/77/43/33/1023774333.db2.gz NASQSYQIEYMVMT-HXUWFJFHSA-N 1 1 324.399 3.704 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661874056 1023788910 /nfs/dbraw/zinc/78/89/10/1023788910.db2.gz HHNDGHXAOIXZJG-MJGOQNOKSA-N 1 1 317.860 3.973 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000538749420 1033166604 /nfs/dbraw/zinc/16/66/04/1033166604.db2.gz LVRGRWVDDKKELV-JKSUJKDBSA-N 1 1 321.848 3.763 20 30 DHEDMO C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598588347 1023854713 /nfs/dbraw/zinc/85/47/13/1023854713.db2.gz JGRBDUADHHAXQN-CRAIPNDOSA-N 1 1 300.446 3.588 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000662079786 1023889517 /nfs/dbraw/zinc/88/95/17/1023889517.db2.gz NCKREBGARHXTNG-SOUVJXGZSA-N 1 1 318.848 3.700 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000662086448 1023895749 /nfs/dbraw/zinc/89/57/49/1023895749.db2.gz SJUIOAIBIDOILT-GASCZTMLSA-N 1 1 313.376 3.867 20 30 DHEDMO C=CCCC[N@@H+]1CCCC[C@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001170085976 1023907620 /nfs/dbraw/zinc/90/76/20/1023907620.db2.gz NUWJNBCMKJYCTE-IRXDYDNUSA-N 1 1 308.466 3.676 20 30 DHEDMO C=CCCC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001170085974 1023908317 /nfs/dbraw/zinc/90/83/17/1023908317.db2.gz NUWJNBCMKJYCTE-DLBZAZTESA-N 1 1 308.466 3.676 20 30 DHEDMO CC[N@@H+](CCCC(C)(C)C#N)Cc1ccc(OC)c(OC)c1 ZINC000266898462 1024043711 /nfs/dbraw/zinc/04/37/11/1024043711.db2.gz HLCWQRDFHAJFKA-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO N#CCC[N@@H+](Cc1ccc(OCc2cccnc2)cc1)CC1CC1 ZINC000266904478 1024046106 /nfs/dbraw/zinc/04/61/06/1024046106.db2.gz HMCFODHOLPSJHM-UHFFFAOYSA-N 1 1 321.424 3.786 20 30 DHEDMO N#CCC[N@H+](Cc1ccc(OCc2cccnc2)cc1)CC1CC1 ZINC000266904478 1024046117 /nfs/dbraw/zinc/04/61/17/1024046117.db2.gz HMCFODHOLPSJHM-UHFFFAOYSA-N 1 1 321.424 3.786 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)CCCc2ccc(Cl)cc2)n1 ZINC000789326676 1024049530 /nfs/dbraw/zinc/04/95/30/1024049530.db2.gz ZDAMQKIYXXZZST-UHFFFAOYSA-N 1 1 315.848 3.624 20 30 DHEDMO C=CCC1(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CCCCC1 ZINC000452325668 1024050285 /nfs/dbraw/zinc/05/02/85/1024050285.db2.gz GVQYEJSCNYRGEN-KRWDZBQOSA-N 1 1 318.505 3.846 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000268464333 1024117248 /nfs/dbraw/zinc/11/72/48/1024117248.db2.gz LGIRGUXECVFQIN-YJBOKZPZSA-N 1 1 313.445 3.520 20 30 DHEDMO CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@H](C)CCC#N ZINC000602482974 1024147348 /nfs/dbraw/zinc/14/73/48/1024147348.db2.gz HRGOTEJMNFFTDI-NVXWUHKLSA-N 1 1 302.418 3.553 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)[C@H]2CC[C@](C)(c3ccccc3)C2)n1 ZINC000789759223 1024158416 /nfs/dbraw/zinc/15/84/16/1024158416.db2.gz QGXQQLSNNZWPNU-SFTDATJTSA-N 1 1 321.468 3.849 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2c(CC)oc3ccccc32)n1 ZINC000789759264 1024159133 /nfs/dbraw/zinc/15/91/33/1024159133.db2.gz RCVWUMJEJPGQBD-UHFFFAOYSA-N 1 1 321.424 3.847 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)Cc2c(CC)oc3ccccc32)n1 ZINC000789759264 1024159143 /nfs/dbraw/zinc/15/91/43/1024159143.db2.gz RCVWUMJEJPGQBD-UHFFFAOYSA-N 1 1 321.424 3.847 20 30 DHEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000248998815 1024185433 /nfs/dbraw/zinc/18/54/33/1024185433.db2.gz PWUHLOHADFHIEJ-APWZRJJASA-N 1 1 316.445 3.759 20 30 DHEDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000531535013 1024200416 /nfs/dbraw/zinc/20/04/16/1024200416.db2.gz JQEFUGAQXTWHJE-ZDUSSCGKSA-N 1 1 311.351 3.719 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000128579320 1024217940 /nfs/dbraw/zinc/21/79/40/1024217940.db2.gz MFWIWPHICZTSLY-MRXNPFEDSA-N 1 1 312.800 3.865 20 30 DHEDMO Cc1cccnc1N=NC1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000790187018 1024238338 /nfs/dbraw/zinc/23/83/38/1024238338.db2.gz SHTMLYPCPHJVFV-MRXNPFEDSA-N 1 1 308.429 3.842 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000531658525 1024259395 /nfs/dbraw/zinc/25/93/95/1024259395.db2.gz DLQUIEMMXSXQOB-IBGZPJMESA-N 1 1 307.397 3.559 20 30 DHEDMO C=CCc1cc(C[N@@H+](CC2CC2)C2CCC2)cc(OC)c1O ZINC000475681348 1024275423 /nfs/dbraw/zinc/27/54/23/1024275423.db2.gz VIZSQNJVOUWFII-UHFFFAOYSA-N 1 1 301.430 3.894 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CC[C@H](C)C1)[C@H]2CC ZINC001170139434 1024320964 /nfs/dbraw/zinc/32/09/64/1024320964.db2.gz UXPBNHUCWRSOHH-DWRORGKVSA-N 1 1 304.478 3.597 20 30 DHEDMO N#CCCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453106323 1024334064 /nfs/dbraw/zinc/33/40/64/1024334064.db2.gz IQUXIXKJWDCGKQ-VAMGGRTRSA-N 1 1 311.473 3.713 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC000270498604 1024398522 /nfs/dbraw/zinc/39/85/22/1024398522.db2.gz QEWRARNAQVMKJT-GOSISDBHSA-N 1 1 316.408 3.573 20 30 DHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000531869167 1024413796 /nfs/dbraw/zinc/41/37/96/1024413796.db2.gz ZMQWSGQFXMCTIJ-OAHLLOKOSA-N 1 1 314.429 3.502 20 30 DHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000531869167 1024413804 /nfs/dbraw/zinc/41/38/04/1024413804.db2.gz ZMQWSGQFXMCTIJ-OAHLLOKOSA-N 1 1 314.429 3.502 20 30 DHEDMO COc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)cc1C#N ZINC000883383288 1024417510 /nfs/dbraw/zinc/41/75/10/1024417510.db2.gz WLZWICXOBPXLFX-MJGOQNOKSA-N 1 1 310.372 3.682 20 30 DHEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000271153903 1024464337 /nfs/dbraw/zinc/46/43/37/1024464337.db2.gz GUZBDLKJYZALAO-CYBMUJFWSA-N 1 1 300.427 3.691 20 30 DHEDMO COC(=O)c1cccc(C[N@H+](C)Cc2cc(C)cc(C)c2)c1C#N ZINC000569191412 1024499485 /nfs/dbraw/zinc/49/94/85/1024499485.db2.gz ZWXXBLFZPONNCZ-UHFFFAOYSA-N 1 1 322.408 3.594 20 30 DHEDMO COC(=O)c1cccc(C[N@@H+](C)Cc2cc(C)cc(C)c2)c1C#N ZINC000569191412 1024499495 /nfs/dbraw/zinc/49/94/95/1024499495.db2.gz ZWXXBLFZPONNCZ-UHFFFAOYSA-N 1 1 322.408 3.594 20 30 DHEDMO CC(C)OCC[C@H](C)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001172460593 1033216131 /nfs/dbraw/zinc/21/61/31/1033216131.db2.gz PQEIDWKGHUGKCH-LPHOPBHVSA-N 1 1 316.445 3.605 20 30 DHEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000791577686 1024519785 /nfs/dbraw/zinc/51/97/85/1024519785.db2.gz COWJLPWPHJRUJO-SWLSCSKDSA-N 1 1 312.335 3.600 20 30 DHEDMO Cc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)c(C)c1 ZINC000791606118 1024533077 /nfs/dbraw/zinc/53/30/77/1024533077.db2.gz QNRJAHJLYJJHAX-TZIWHRDSSA-N 1 1 320.436 3.698 20 30 DHEDMO CC[C@@H](C(=O)Nc1ccc(CC#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000339229235 1024580946 /nfs/dbraw/zinc/58/09/46/1024580946.db2.gz FNDZIKUUXWIFLA-IBGZPJMESA-N 1 1 321.424 3.602 20 30 DHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)CC(C)(C)C)c1C ZINC000339256433 1024582262 /nfs/dbraw/zinc/58/22/62/1024582262.db2.gz PASXLYPINFUVNG-UHFFFAOYSA-N 1 1 315.461 3.528 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001172496546 1033225064 /nfs/dbraw/zinc/22/50/64/1033225064.db2.gz NUJXSBRXASIEMS-MAUKXSAKSA-N 1 1 321.465 3.544 20 30 DHEDMO Cc1csc([C@H]2C[C@@H]3CC[N@H+]([C@H](C)CCCC#N)C[C@H]3O2)n1 ZINC001172496242 1033226833 /nfs/dbraw/zinc/22/68/33/1033226833.db2.gz YVHGCSXIRHXZDJ-QKPAOTATSA-N 1 1 319.474 3.686 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H]1C ZINC001172492355 1033227060 /nfs/dbraw/zinc/22/70/60/1033227060.db2.gz KIBXAVDDUYCGBR-PMPSAXMXSA-N 1 1 323.481 3.694 20 30 DHEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC001170183827 1024685597 /nfs/dbraw/zinc/68/55/97/1024685597.db2.gz IQCGYQZPZHCHCT-HKUYNNGSSA-N 1 1 314.473 3.555 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCO[C@](C)(c2ccc(Cl)cc2)C1 ZINC001172500368 1033229630 /nfs/dbraw/zinc/22/96/30/1033229630.db2.gz MYXFKDXVPAWVMQ-YOEHRIQHSA-N 1 1 306.837 3.970 20 30 DHEDMO CCC[C@H]1C[N@H+]([C@@H](C)CCCC#N)CCN1C(=O)OC(C)(C)C ZINC001172499077 1033230534 /nfs/dbraw/zinc/23/05/34/1033230534.db2.gz UWNGZJXHMWRSJE-HOTGVXAUSA-N 1 1 323.481 3.790 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001172500875 1033230563 /nfs/dbraw/zinc/23/05/63/1033230563.db2.gz BLRVTVFUWQQZLN-QAPCUYQASA-N 1 1 323.481 3.696 20 30 DHEDMO C=CCCCNc1[nH+]cnc2c1ccn2Cc1ccccc1F ZINC001170296173 1024727967 /nfs/dbraw/zinc/72/79/67/1024727967.db2.gz CFTJCBJOPGNLFU-UHFFFAOYSA-N 1 1 310.376 3.997 20 30 DHEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000349745911 1024745886 /nfs/dbraw/zinc/74/58/86/1024745886.db2.gz DWISODNVEHUUBH-ZDUSSCGKSA-N 1 1 308.360 3.538 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC001172501709 1033232808 /nfs/dbraw/zinc/23/28/08/1033232808.db2.gz FFKJMCLAQYPJLN-SJLPKXTDSA-N 1 1 314.429 3.524 20 30 DHEDMO C#CCCCCCC[NH2+][C@H](C)c1noc(Cc2ccccc2)n1 ZINC000877081369 1033233397 /nfs/dbraw/zinc/23/33/97/1033233397.db2.gz MYITVLUAWZZFLO-MRXNPFEDSA-N 1 1 311.429 3.895 20 30 DHEDMO C[C@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCC1=O ZINC001170378920 1024765596 /nfs/dbraw/zinc/76/55/96/1024765596.db2.gz NQVGFLLBXBTILO-VQSBYGRUSA-N 1 1 310.441 3.692 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@H]3CCCO[C@@H]3C2)CC1 ZINC001170382871 1024767786 /nfs/dbraw/zinc/76/77/86/1024767786.db2.gz GDBFJBDPWPXHSV-MAKTXDPSSA-N 1 1 324.468 3.891 20 30 DHEDMO CCCCCCC[C@H](CCC)[N@H+]1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001172509232 1033238132 /nfs/dbraw/zinc/23/81/32/1033238132.db2.gz UHOKUNUTGLOVGU-CADBVGFASA-N 1 1 311.510 3.987 20 30 DHEDMO CC(C)([C@@H](NCCCC#N)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000347366245 1024786221 /nfs/dbraw/zinc/78/62/21/1024786221.db2.gz RLWXPZUYPXGDBX-KRWDZBQOSA-N 1 1 321.415 3.774 20 30 DHEDMO CCOC(=O)C[N@@H+]([C@H](C)CCCC#N)[C@H](C)c1ccccc1 ZINC001172508990 1033239132 /nfs/dbraw/zinc/23/91/32/1033239132.db2.gz ITRLNRNRXMYKGM-HZPDHXFCSA-N 1 1 302.418 3.695 20 30 DHEDMO N#CC1CC[NH+](Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000747088655 1024804945 /nfs/dbraw/zinc/80/49/45/1024804945.db2.gz NHVCRMODMQEROG-UHFFFAOYSA-N 1 1 322.437 3.798 20 30 DHEDMO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccc3cncn3c2)cc1 ZINC000263172618 1024823921 /nfs/dbraw/zinc/82/39/21/1024823921.db2.gz SGONVASLEMJVOD-AWEZNQCLSA-N 1 1 321.428 3.775 20 30 DHEDMO CC(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C#N)cc1 ZINC000350661640 1024836253 /nfs/dbraw/zinc/83/62/53/1024836253.db2.gz RAGZUPZFJALFHS-UHFFFAOYSA-N 1 1 310.445 3.994 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2ccncc2F)cc1OC ZINC000337943547 1033239715 /nfs/dbraw/zinc/23/97/15/1033239715.db2.gz NZXGNUOWINSMCT-CYBMUJFWSA-N 1 1 316.376 3.645 20 30 DHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCc1ccc(C#N)cc1 ZINC000747099149 1024867521 /nfs/dbraw/zinc/86/75/21/1024867521.db2.gz SRLRGXNSJUHMGM-UHFFFAOYSA-N 1 1 321.468 3.806 20 30 DHEDMO CN(Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000747099149 1024867536 /nfs/dbraw/zinc/86/75/36/1024867536.db2.gz SRLRGXNSJUHMGM-UHFFFAOYSA-N 1 1 321.468 3.806 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2C[C@@H](C)CCC=C(C)C)C1=O ZINC001275067535 1024900995 /nfs/dbraw/zinc/90/09/95/1024900995.db2.gz YETPUUBDTGBLSQ-HKUYNNGSSA-N 1 1 304.478 3.622 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+]2C[C@@H](CC)CCCC)C1=O ZINC001275082974 1024905780 /nfs/dbraw/zinc/90/57/80/1024905780.db2.gz SIIDCQUHLCEGMR-PKOBYXMFSA-N 1 1 306.494 3.846 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2C[C@H](CC)CCCC)C1=O ZINC001275082973 1024905905 /nfs/dbraw/zinc/90/59/05/1024905905.db2.gz SIIDCQUHLCEGMR-MJGOQNOKSA-N 1 1 306.494 3.846 20 30 DHEDMO C=CCN1CC[C@]2(CC[N@H+](CCCCCCCCC)C2)C1=O ZINC001275118141 1024923706 /nfs/dbraw/zinc/92/37/06/1024923706.db2.gz BBWQNKVVLFFLMB-IBGZPJMESA-N 1 1 306.494 3.847 20 30 DHEDMO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000353284407 1025015347 /nfs/dbraw/zinc/01/53/47/1025015347.db2.gz DWVBWXHCAPSELW-GOSISDBHSA-N 1 1 322.408 3.610 20 30 DHEDMO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000353284407 1025015359 /nfs/dbraw/zinc/01/53/59/1025015359.db2.gz DWVBWXHCAPSELW-GOSISDBHSA-N 1 1 322.408 3.610 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000120633269 1025043126 /nfs/dbraw/zinc/04/31/26/1025043126.db2.gz VYYSWSGXBVWYDQ-JKSUJKDBSA-N 1 1 317.502 3.706 20 30 DHEDMO CC(C)C(C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)C(C)C ZINC000793586407 1025116011 /nfs/dbraw/zinc/11/60/11/1025116011.db2.gz DOFGMIOQKOTNRW-IBGZPJMESA-N 1 1 300.446 3.860 20 30 DHEDMO FC(F)(F)CON=C1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000884440985 1025119247 /nfs/dbraw/zinc/11/92/47/1025119247.db2.gz WTHIJVTZARKLRX-ZFWWWQNUSA-N 1 1 312.335 3.606 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1c(C)cc(C#N)cc1C ZINC001167881098 1025122078 /nfs/dbraw/zinc/12/20/78/1025122078.db2.gz ILLGAZAJFIFHBC-UHFFFAOYSA-N 1 1 312.413 3.725 20 30 DHEDMO Fc1cccnc1N=NC1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000884464285 1025127668 /nfs/dbraw/zinc/12/76/68/1025127668.db2.gz KFADVSIHALEVPI-RDJZCZTQSA-N 1 1 324.403 3.673 20 30 DHEDMO CC(C)([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccs1 ZINC000348326663 1025146247 /nfs/dbraw/zinc/14/62/47/1025146247.db2.gz TWJUIVFIPLFZKJ-UHFFFAOYSA-N 1 1 324.409 3.695 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1Cc1cccc(C#N)c1 ZINC001168193576 1025173940 /nfs/dbraw/zinc/17/39/40/1025173940.db2.gz RQYWSOOQNDDDNN-QZTJIDSGSA-N 1 1 319.452 3.653 20 30 DHEDMO CC[N@@H+](Cc1cc(C(=O)OC)co1)[C@@H](C)c1ccc(C#N)cc1 ZINC000171032854 1025286214 /nfs/dbraw/zinc/28/62/14/1025286214.db2.gz NCQBAMHYAPHPPP-ZDUSSCGKSA-N 1 1 312.369 3.521 20 30 DHEDMO CC(C)(C)n1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)nn1 ZINC000353916914 1025291031 /nfs/dbraw/zinc/29/10/31/1025291031.db2.gz RVDNOQDEUJGXLG-KRWDZBQOSA-N 1 1 311.433 3.558 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCC(C)CC1)[C@@H]2CC ZINC001168212856 1025327629 /nfs/dbraw/zinc/32/76/29/1025327629.db2.gz SBMHOUWSZJTTMI-ZZVGESKWSA-N 1 1 318.505 3.987 20 30 DHEDMO CC[N@@H+](Cc1cc(C#N)cs1)[C@H](COC)Cc1ccccc1 ZINC000354055217 1025337896 /nfs/dbraw/zinc/33/78/96/1025337896.db2.gz ZWKRCEDXLSOKEY-KRWDZBQOSA-N 1 1 314.454 3.699 20 30 DHEDMO CCOc1cc(C[NH+]2CCC(C#N)CC2)ccc1OCC(C)C ZINC000123776430 1025397918 /nfs/dbraw/zinc/39/79/18/1025397918.db2.gz WKTVKLANRRABSB-UHFFFAOYSA-N 1 1 316.445 3.856 20 30 DHEDMO CC[C@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000885956460 1025420326 /nfs/dbraw/zinc/42/03/26/1025420326.db2.gz QCAKXFQNPCVODU-ZFWWWQNUSA-N 1 1 304.459 3.502 20 30 DHEDMO C=CCCCCC[N@@H+]1CCCC[C@@]12CC(=O)N([C@@H](C)CC)C2 ZINC001275323441 1025422424 /nfs/dbraw/zinc/42/24/24/1025422424.db2.gz BJAAFKMMZUUSFX-HKUYNNGSSA-N 1 1 306.494 3.988 20 30 DHEDMO CC[N@H+](Cc1ccc(Cl)cc1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885968984 1025423671 /nfs/dbraw/zinc/42/36/71/1025423671.db2.gz HAIBBFQUMWDXRJ-INIZCTEOSA-N 1 1 306.837 3.607 20 30 DHEDMO C=CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2[C@H](C)CC ZINC001275328999 1025437284 /nfs/dbraw/zinc/43/72/84/1025437284.db2.gz JDGRGELZFIXVHG-KZNAEPCWSA-N 1 1 306.494 3.987 20 30 DHEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886014679 1025438739 /nfs/dbraw/zinc/43/87/39/1025438739.db2.gz NERIYRYFCACWDY-RHSMWYFYSA-N 1 1 320.864 3.648 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886022681 1025442902 /nfs/dbraw/zinc/44/29/02/1025442902.db2.gz IHGPWHYFLMJOLR-RKVPGOIHSA-N 1 1 316.420 3.653 20 30 DHEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886021464 1025443602 /nfs/dbraw/zinc/44/36/02/1025443602.db2.gz WZPAFVZPDCSUBL-ZTFGCOKTSA-N 1 1 316.420 3.653 20 30 DHEDMO Cc1nc(CC[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cs1 ZINC000124789665 1025444741 /nfs/dbraw/zinc/44/47/41/1025444741.db2.gz MXZSMAPMRTVXJG-ZWKOTPCHSA-N 1 1 311.454 3.766 20 30 DHEDMO Cc1nc(CC[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cs1 ZINC000124789665 1025444752 /nfs/dbraw/zinc/44/47/52/1025444752.db2.gz MXZSMAPMRTVXJG-ZWKOTPCHSA-N 1 1 311.454 3.766 20 30 DHEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@H](O)CC2(C#N)CCC2)o1 ZINC000886028600 1025446573 /nfs/dbraw/zinc/44/65/73/1025446573.db2.gz TUQRBMPFQQCQOE-UAGQMJEPSA-N 1 1 316.445 3.806 20 30 DHEDMO CC[N@@H+](CCC#N)CCCC(=O)c1ccc(Br)cc1 ZINC000050148610 1025495607 /nfs/dbraw/zinc/49/56/07/1025495607.db2.gz OXYHKSTVMUXNAB-UHFFFAOYSA-N 1 1 323.234 3.648 20 30 DHEDMO CC[N@H+](CCC#N)CCCC(=O)c1ccc(Br)cc1 ZINC000050148610 1025495617 /nfs/dbraw/zinc/49/56/17/1025495617.db2.gz OXYHKSTVMUXNAB-UHFFFAOYSA-N 1 1 323.234 3.648 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)CCC1 ZINC000886120744 1025517917 /nfs/dbraw/zinc/51/79/17/1025517917.db2.gz MQOHGZIWKVTIRK-XFIQWEIDSA-N 1 1 310.441 3.609 20 30 DHEDMO C[C@H](CC[N@@H+](C)Cc1ccc(C#N)cc1)OCc1ccccc1 ZINC000354870946 1025529311 /nfs/dbraw/zinc/52/93/11/1025529311.db2.gz LDTJRGPTBSYGKA-QGZVFWFLSA-N 1 1 308.425 3.985 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CCC1 ZINC000886201591 1025556561 /nfs/dbraw/zinc/55/65/61/1025556561.db2.gz JQKZFODVRVKMRV-HAGHYFMRSA-N 1 1 324.468 3.699 20 30 DHEDMO CC1(C)[C@H](c2ccccc2)CC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886252031 1025571093 /nfs/dbraw/zinc/57/10/93/1025571093.db2.gz RNYABPUXSOSNJM-ROUUACIJSA-N 1 1 312.457 3.699 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)CCC1 ZINC000886277667 1025579455 /nfs/dbraw/zinc/57/94/55/1025579455.db2.gz YPOLZVORGHJFQP-DOTOQJQBSA-N 1 1 314.429 3.642 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000877386287 1033292601 /nfs/dbraw/zinc/29/26/01/1033292601.db2.gz HYPGMRBIRKVDMF-CYBMUJFWSA-N 1 1 303.818 3.835 20 30 DHEDMO C[C@H](CC#N)[N@H+](C)CCCC(=O)c1ccc(Br)cc1 ZINC000063087434 1025598824 /nfs/dbraw/zinc/59/88/24/1025598824.db2.gz KPHOOERIZQMODJ-GFCCVEGCSA-N 1 1 323.234 3.646 20 30 DHEDMO C[C@H](CC#N)[N@@H+](C)CCCC(=O)c1ccc(Br)cc1 ZINC000063087434 1025598836 /nfs/dbraw/zinc/59/88/36/1025598836.db2.gz KPHOOERIZQMODJ-GFCCVEGCSA-N 1 1 323.234 3.646 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000886360308 1025601839 /nfs/dbraw/zinc/60/18/39/1025601839.db2.gz UEDINUJWZHQFMH-QGZVFWFLSA-N 1 1 318.420 3.637 20 30 DHEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000886361444 1025604124 /nfs/dbraw/zinc/60/41/24/1025604124.db2.gz IIIHGWADZOZVRN-QWHCGFSZSA-N 1 1 303.356 3.838 20 30 DHEDMO C=CCCCC(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000536593942 1025644099 /nfs/dbraw/zinc/64/40/99/1025644099.db2.gz UPDDZGWEGNPRHI-UHFFFAOYSA-N 1 1 306.494 3.703 20 30 DHEDMO C=C(Cl)C[N@@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000805764778 1025675793 /nfs/dbraw/zinc/67/57/93/1025675793.db2.gz JVJYTSVPOVQLNO-ZDUSSCGKSA-N 1 1 302.846 3.508 20 30 DHEDMO Cc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)cn2cc[nH+]c12 ZINC000355439767 1025724108 /nfs/dbraw/zinc/72/41/08/1025724108.db2.gz QAQCKWFISRDCPA-INIZCTEOSA-N 1 1 318.380 3.669 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cn1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000573741904 1025747388 /nfs/dbraw/zinc/74/73/88/1025747388.db2.gz VAMDBPFEFUVCFT-RBUKOAKNSA-N 1 1 321.424 3.631 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886682748 1025783107 /nfs/dbraw/zinc/78/31/07/1025783107.db2.gz OPHRBDIXJHUTNP-KRWDZBQOSA-N 1 1 320.440 3.657 20 30 DHEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H](CO)c1ccccc1 ZINC000614164784 1025788329 /nfs/dbraw/zinc/78/83/29/1025788329.db2.gz ZFKCQPHWOOMBRD-IBGZPJMESA-N 1 1 308.425 3.653 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000614168964 1025790833 /nfs/dbraw/zinc/79/08/33/1025790833.db2.gz LZLZLXYZSZEQPS-FQEVSTJZSA-N 1 1 312.457 3.880 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000614168797 1025792652 /nfs/dbraw/zinc/79/26/52/1025792652.db2.gz VHMWSVVBTHSRII-UHFFFAOYSA-N 1 1 312.457 3.880 20 30 DHEDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176151 1025811691 /nfs/dbraw/zinc/81/16/91/1025811691.db2.gz MIXRTYZYSIASOL-GOSISDBHSA-N 1 1 322.456 3.731 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000614182672 1025825131 /nfs/dbraw/zinc/82/51/31/1025825131.db2.gz WCKCQVUQQZYCFU-LJQANCHMSA-N 1 1 319.452 3.947 20 30 DHEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000135247192 1025831851 /nfs/dbraw/zinc/83/18/51/1025831851.db2.gz JIYQHFUJHKWSCY-NXHRZFHOSA-N 1 1 312.457 3.733 20 30 DHEDMO CC(C)[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075747721 1025850242 /nfs/dbraw/zinc/85/02/42/1025850242.db2.gz YTHOGEKQLFNJIN-MRXNPFEDSA-N 1 1 310.401 3.619 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000076801714 1025882430 /nfs/dbraw/zinc/88/24/30/1025882430.db2.gz PGVJJALABXQOEZ-GFCCVEGCSA-N 1 1 314.351 3.930 20 30 DHEDMO N#Cc1csc(C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)n1 ZINC000356056750 1025932227 /nfs/dbraw/zinc/93/22/27/1025932227.db2.gz DDLDXRIIDQCRHW-UHFFFAOYSA-N 1 1 322.437 3.876 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1CCCCO1 ZINC000356089240 1025941321 /nfs/dbraw/zinc/94/13/21/1025941321.db2.gz PRWKCXAGXJDVPH-CQSZACIVSA-N 1 1 312.335 3.578 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c(C(F)(F)F)c1 ZINC000356293681 1026010137 /nfs/dbraw/zinc/01/01/37/1026010137.db2.gz FGUNUNKYEAGAJQ-INIZCTEOSA-N 1 1 324.346 3.580 20 30 DHEDMO C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763823020 1026015971 /nfs/dbraw/zinc/01/59/71/1026015971.db2.gz GWIKRLFUTWOECL-KRWDZBQOSA-N 1 1 318.779 3.516 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000411489154 1026028784 /nfs/dbraw/zinc/02/87/84/1026028784.db2.gz PZUKBLYOFSPUMA-AWEZNQCLSA-N 1 1 300.358 3.980 20 30 DHEDMO C=CCCC1(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000356692597 1026132873 /nfs/dbraw/zinc/13/28/73/1026132873.db2.gz JBGKRZMWUWOFKP-UHFFFAOYSA-N 1 1 319.474 3.595 20 30 DHEDMO C=CCCC1(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000356692597 1026132875 /nfs/dbraw/zinc/13/28/75/1026132875.db2.gz JBGKRZMWUWOFKP-UHFFFAOYSA-N 1 1 319.474 3.595 20 30 DHEDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000412063929 1026135849 /nfs/dbraw/zinc/13/58/49/1026135849.db2.gz JQCOQFFLMIZEMW-JYJNAYRXSA-N 1 1 306.450 3.513 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)cc1 ZINC000419315102 1026141886 /nfs/dbraw/zinc/14/18/86/1026141886.db2.gz NVHYHJNJLJICGN-HXUWFJFHSA-N 1 1 306.409 3.796 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000532976449 1026159589 /nfs/dbraw/zinc/15/95/89/1026159589.db2.gz ADMCWETZOWUOJB-GFCCVEGCSA-N 1 1 314.351 3.930 20 30 DHEDMO COc1ccc(C)[nH+]c1NCc1cccc(OCCCC#N)c1 ZINC000150991399 1026209300 /nfs/dbraw/zinc/20/93/00/1026209300.db2.gz CVRSVLNNHWSABE-UHFFFAOYSA-N 1 1 311.385 3.693 20 30 DHEDMO N#Cc1cc(Br)ccc1CO[NH+]=C(N)C1CCCC1 ZINC000808249659 1026234657 /nfs/dbraw/zinc/23/46/57/1026234657.db2.gz GVVJSVIUWKJPPX-UHFFFAOYSA-N 1 1 322.206 3.509 20 30 DHEDMO C=CCNC(=O)C[N@H+](Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000052189740 1026256368 /nfs/dbraw/zinc/25/63/68/1026256368.db2.gz ZLAHSEGXCGEDAH-UHFFFAOYSA-N 1 1 315.244 3.506 20 30 DHEDMO C=CCNC(=O)C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000052189740 1026256380 /nfs/dbraw/zinc/25/63/80/1026256380.db2.gz ZLAHSEGXCGEDAH-UHFFFAOYSA-N 1 1 315.244 3.506 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1Br ZINC000397767362 1026260078 /nfs/dbraw/zinc/26/00/78/1026260078.db2.gz MDBYBVAOLWBNDS-CYBMUJFWSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1Br ZINC000397767362 1026260087 /nfs/dbraw/zinc/26/00/87/1026260087.db2.gz MDBYBVAOLWBNDS-CYBMUJFWSA-N 1 1 307.235 3.883 20 30 DHEDMO CCC[N@@H+](CCC(=O)N(C)CCC#N)[C@H](CC)c1ccccc1 ZINC000357005370 1026270382 /nfs/dbraw/zinc/27/03/82/1026270382.db2.gz MLJYZLDHRPDTRA-GOSISDBHSA-N 1 1 315.461 3.612 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000614397325 1026291892 /nfs/dbraw/zinc/29/18/92/1026291892.db2.gz KRMAUEUTGDSNRV-FQEVSTJZSA-N 1 1 306.409 3.830 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000614402023 1026295908 /nfs/dbraw/zinc/29/59/08/1026295908.db2.gz IDCIYKHRDHUZTD-OAQYLSRUSA-N 1 1 319.452 3.968 20 30 DHEDMO CCC[C@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000747524339 1026376336 /nfs/dbraw/zinc/37/63/36/1026376336.db2.gz IKLWDVUAOVKOFC-KRWDZBQOSA-N 1 1 315.461 3.671 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000513270683 1026468931 /nfs/dbraw/zinc/46/89/31/1026468931.db2.gz GLLLZJWTJRFKKV-BEFAXECRSA-N 1 1 319.408 3.580 20 30 DHEDMO C#Cc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000809538261 1026546568 /nfs/dbraw/zinc/54/65/68/1026546568.db2.gz LSPHJUIVYDILAE-FQEVSTJZSA-N 1 1 321.420 3.555 20 30 DHEDMO C#Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000809580122 1026554083 /nfs/dbraw/zinc/55/40/83/1026554083.db2.gz FSMYNEAXDHCOOK-FOIQADDNSA-N 1 1 309.384 3.769 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000809580122 1026554093 /nfs/dbraw/zinc/55/40/93/1026554093.db2.gz FSMYNEAXDHCOOK-FOIQADDNSA-N 1 1 309.384 3.769 20 30 DHEDMO C#Cc1ccc(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000809556116 1026559338 /nfs/dbraw/zinc/55/93/38/1026559338.db2.gz ICTRBSNIMRNNJB-NQIIRXRSSA-N 1 1 310.485 3.754 20 30 DHEDMO C#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 ZINC000809699951 1026590136 /nfs/dbraw/zinc/59/01/36/1026590136.db2.gz UXVUSYQYVWNGTC-FSSWDIPSSA-N 1 1 317.432 3.672 20 30 DHEDMO C#C[C@H]([NH2+]Cc1cc(C)cc(Br)c1O)C(C)(C)C ZINC000809780969 1026622921 /nfs/dbraw/zinc/62/29/21/1026622921.db2.gz CIGXEJXSLUCHEA-ZDUSSCGKSA-N 1 1 310.235 3.601 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C2CCC(F)(F)CC2)cc1 ZINC000809782534 1026624180 /nfs/dbraw/zinc/62/41/80/1026624180.db2.gz XFEUTXOKJBOYOK-CYBMUJFWSA-N 1 1 308.372 3.987 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1csc(COc2ccccc2)n1)C(C)(C)C ZINC000809782541 1026624237 /nfs/dbraw/zinc/62/42/37/1026624237.db2.gz XMQRXAZFILOGNZ-MRXNPFEDSA-N 1 1 314.454 3.860 20 30 DHEDMO C#CC(C)(C)[N@@H+](C)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000809989511 1026656200 /nfs/dbraw/zinc/65/62/00/1026656200.db2.gz YHOXALUEKKWYRJ-WKILWMFISA-N 1 1 322.493 3.661 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000810047795 1026668869 /nfs/dbraw/zinc/66/88/69/1026668869.db2.gz LARZBEQQFGFEDS-NRFANRHFSA-N 1 1 318.420 3.836 20 30 DHEDMO Cc1cc(C[NH+]2CCC(F)(C#N)CC2)ccc1C(F)(F)F ZINC000414439474 1026781790 /nfs/dbraw/zinc/78/17/90/1026781790.db2.gz KWQQNFYBYCHDNH-UHFFFAOYSA-N 1 1 300.299 3.842 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)cc1C#N ZINC000420951164 1026890630 /nfs/dbraw/zinc/89/06/30/1026890630.db2.gz QOWWZRKLOJXARP-CYBMUJFWSA-N 1 1 312.335 3.731 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000414484157 1026902765 /nfs/dbraw/zinc/90/27/65/1026902765.db2.gz JEEABPUJGWAEQI-QUCCMNQESA-N 1 1 309.409 3.559 20 30 DHEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000421000360 1026909893 /nfs/dbraw/zinc/90/98/93/1026909893.db2.gz DELVJRZTEGZMJW-GJZGRUSLSA-N 1 1 321.490 3.528 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000421006533 1026913582 /nfs/dbraw/zinc/91/35/82/1026913582.db2.gz KFBLLRBVQLLFJM-OAHLLOKOSA-N 1 1 306.475 3.720 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000513744014 1026944870 /nfs/dbraw/zinc/94/48/70/1026944870.db2.gz FXMDNJDYUUHYFT-INIZCTEOSA-N 1 1 308.491 3.850 20 30 DHEDMO C#CCOc1ccc(C[NH2+][C@@H](C#C)c2ccc(Cl)cc2)cc1 ZINC000811516366 1027028620 /nfs/dbraw/zinc/02/86/20/1027028620.db2.gz MNAKTJBKQWGXQW-IBGZPJMESA-N 1 1 309.796 3.816 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCCCC2=NNC[C@@H]2CCSC2)C1 ZINC000811658278 1027044167 /nfs/dbraw/zinc/04/41/67/1027044167.db2.gz DWPMHTXDUUZRGX-UIBIWLFHSA-N 1 1 323.550 3.606 20 30 DHEDMO CN(C)c1cc(Cl)cc(Cl)c1C=[NH+]NC1CCCC1 ZINC000811640914 1027048222 /nfs/dbraw/zinc/04/82/22/1027048222.db2.gz FNKHVVFKTLUZHX-UHFFFAOYSA-N 1 1 300.233 3.926 20 30 DHEDMO O=[N+]([O-])c1cc(C=[NH+]OC/C=C\Cl)ccc1N1CCCCC1 ZINC000811670068 1027059736 /nfs/dbraw/zinc/05/97/36/1027059736.db2.gz MTNISOZYYJUKDB-WENYHIJHSA-N 1 1 323.780 3.688 20 30 DHEDMO C=CCSc1ccccc1C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000362391971 1027181803 /nfs/dbraw/zinc/18/18/03/1027181803.db2.gz ZTJLHSOVTRKZPK-UHFFFAOYSA-N 1 1 318.486 3.521 20 30 DHEDMO CC(C)OCCO[NH+]=Cc1c(Cl)cccc1N1CCCC1 ZINC000812238125 1027217795 /nfs/dbraw/zinc/21/77/95/1027217795.db2.gz NJEBAKUAXACJJB-UHFFFAOYSA-N 1 1 310.825 3.716 20 30 DHEDMO CC(C)OCCON=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000812238919 1027217867 /nfs/dbraw/zinc/21/78/67/1027217867.db2.gz JFLIKWBLYTXSRA-UHFFFAOYSA-N 1 1 306.450 3.572 20 30 DHEDMO C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000572626172 1027217733 /nfs/dbraw/zinc/21/77/33/1027217733.db2.gz RWBCWTMGZQSBTC-DNVCBOLYSA-N 1 1 311.473 3.646 20 30 DHEDMO C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000572626172 1027217739 /nfs/dbraw/zinc/21/77/39/1027217739.db2.gz RWBCWTMGZQSBTC-DNVCBOLYSA-N 1 1 311.473 3.646 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000572890441 1027237981 /nfs/dbraw/zinc/23/79/81/1027237981.db2.gz CAUUDUHAOZECRO-QGZVFWFLSA-N 1 1 302.462 3.712 20 30 DHEDMO C#CCOc1ccc(CNc2[nH+]cccc2CCCCOC)cc1 ZINC000812345699 1027257318 /nfs/dbraw/zinc/25/73/18/1027257318.db2.gz JSMDYWXVYYHMPQ-UHFFFAOYSA-N 1 1 324.424 3.675 20 30 DHEDMO C=CCCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000812493253 1027300958 /nfs/dbraw/zinc/30/09/58/1027300958.db2.gz CCDLJYKKQUFSPK-IRXDYDNUSA-N 1 1 309.498 3.637 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931914673 1027304851 /nfs/dbraw/zinc/30/48/51/1027304851.db2.gz VYZUABFWIXJWKF-CQSZACIVSA-N 1 1 312.310 3.733 20 30 DHEDMO N#Cc1ccccc1-c1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423018714 1027393813 /nfs/dbraw/zinc/39/38/13/1027393813.db2.gz RXPMUHYFCZBKCV-YOFSQIOKSA-N 1 1 317.436 3.598 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCC[C@H](Cc3nccs3)C2)CC1 ZINC000932193327 1027405491 /nfs/dbraw/zinc/40/54/91/1027405491.db2.gz BPLXBQLZRFVJIU-UYSNPLJNSA-N 1 1 303.475 3.728 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932198073 1027410484 /nfs/dbraw/zinc/41/04/84/1027410484.db2.gz IEIDVKFYHOCZSF-ZDUSSCGKSA-N 1 1 315.417 3.609 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932198073 1027410490 /nfs/dbraw/zinc/41/04/90/1027410490.db2.gz IEIDVKFYHOCZSF-ZDUSSCGKSA-N 1 1 315.417 3.609 20 30 DHEDMO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932248590 1027431793 /nfs/dbraw/zinc/43/17/93/1027431793.db2.gz IHQADYLTLMQGGF-CQSZACIVSA-N 1 1 322.250 3.921 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932248590 1027431799 /nfs/dbraw/zinc/43/17/99/1027431799.db2.gz IHQADYLTLMQGGF-CQSZACIVSA-N 1 1 322.250 3.921 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2nnc([C@H](C)CC)[nH]2)cc1 ZINC000362911415 1027438957 /nfs/dbraw/zinc/43/89/57/1027438957.db2.gz BTSUCOLJBQQDRZ-ZIAGYGMSSA-N 1 1 314.433 3.734 20 30 DHEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812852255 1027448971 /nfs/dbraw/zinc/44/89/71/1027448971.db2.gz DYEIWWVTAGIQJY-OXJNMPFZSA-N 1 1 308.425 3.697 20 30 DHEDMO CC(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000423233617 1027467427 /nfs/dbraw/zinc/46/74/27/1027467427.db2.gz DVUULKSVAMXCPC-LEWJYISDSA-N 1 1 319.452 3.959 20 30 DHEDMO Cc1cc(F)cc2c1ncc(C#N)c2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295939251 1027497169 /nfs/dbraw/zinc/49/71/69/1027497169.db2.gz HVAAHAPPMRULLM-MQVJKMGUSA-N 1 1 324.403 3.591 20 30 DHEDMO N#Cc1cccc(OCC[N@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000576010412 1027544869 /nfs/dbraw/zinc/54/48/69/1027544869.db2.gz MWDHXBNUGWDQOH-LJQANCHMSA-N 1 1 310.372 3.508 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC000576010412 1027544872 /nfs/dbraw/zinc/54/48/72/1027544872.db2.gz MWDHXBNUGWDQOH-LJQANCHMSA-N 1 1 310.372 3.508 20 30 DHEDMO CC[N@@H+](Cc1cccc(Br)c1)[C@H]1CC[C@H](C#N)C1 ZINC000576125296 1027565926 /nfs/dbraw/zinc/56/59/26/1027565926.db2.gz DZARCIWEDMFQTQ-WFASDCNBSA-N 1 1 307.235 3.963 20 30 DHEDMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000932686482 1027584818 /nfs/dbraw/zinc/58/48/18/1027584818.db2.gz IDMPYNDNZFKQIU-VKJFTORMSA-N 1 1 306.450 3.513 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000576284175 1027595168 /nfs/dbraw/zinc/59/51/68/1027595168.db2.gz OHEWQRODNMFNCQ-FUHWJXTLSA-N 1 1 302.462 3.758 20 30 DHEDMO CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)c1ccc(C#N)cc1Cl ZINC000576546514 1027632404 /nfs/dbraw/zinc/63/24/04/1027632404.db2.gz UKIBASSUNMZVKS-KBPBESRZSA-N 1 1 307.869 3.983 20 30 DHEDMO CC(C)[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@H](C)c1ccccc1 ZINC000576875050 1027672829 /nfs/dbraw/zinc/67/28/29/1027672829.db2.gz HERSCKDYLASEAT-OAHLLOKOSA-N 1 1 319.412 3.573 20 30 DHEDMO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000448275300 1027713778 /nfs/dbraw/zinc/71/37/78/1027713778.db2.gz IMZSQCFXLCUYFI-MANSERQUSA-N 1 1 302.462 3.906 20 30 DHEDMO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000448275300 1027713798 /nfs/dbraw/zinc/71/37/98/1027713798.db2.gz IMZSQCFXLCUYFI-MANSERQUSA-N 1 1 302.462 3.906 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccnn1-c1ccccc1 ZINC000448337947 1027737384 /nfs/dbraw/zinc/73/73/84/1027737384.db2.gz WLZLHWDGBYGQCM-UHFFFAOYSA-N 1 1 307.397 3.696 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)c1cccc(Cl)c1 ZINC000778996967 1027740607 /nfs/dbraw/zinc/74/06/07/1027740607.db2.gz XWEKXWIABYNWCE-QGZVFWFLSA-N 1 1 305.805 3.697 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000933468926 1027740734 /nfs/dbraw/zinc/74/07/34/1027740734.db2.gz WYLOLPDUNPXRGN-OAHLLOKOSA-N 1 1 323.481 3.648 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)cc1OC ZINC000448353179 1027749257 /nfs/dbraw/zinc/74/92/57/1027749257.db2.gz GMORVBSHBNBVQV-GOSISDBHSA-N 1 1 319.445 3.507 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)cc1OC ZINC000448353179 1027749275 /nfs/dbraw/zinc/74/92/75/1027749275.db2.gz GMORVBSHBNBVQV-GOSISDBHSA-N 1 1 319.445 3.507 20 30 DHEDMO C=CCOc1cccc(C[N@H+](CCOC)[C@@H]2CCCSC2)c1 ZINC000448356286 1027752043 /nfs/dbraw/zinc/75/20/43/1027752043.db2.gz RAKYOSJEKLUBJA-QGZVFWFLSA-N 1 1 321.486 3.595 20 30 DHEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000363863436 1027765004 /nfs/dbraw/zinc/76/50/04/1027765004.db2.gz UMOUTBRHKAGVPI-MRXNPFEDSA-N 1 1 313.426 3.621 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000363863436 1027765023 /nfs/dbraw/zinc/76/50/23/1027765023.db2.gz UMOUTBRHKAGVPI-MRXNPFEDSA-N 1 1 313.426 3.621 20 30 DHEDMO CN1CCCC[C@@H]1CC[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933614653 1027775811 /nfs/dbraw/zinc/77/58/11/1027775811.db2.gz UTFVRKPWNLCLHW-HXUWFJFHSA-N 1 1 311.473 3.612 20 30 DHEDMO C=C1CC(C)(C(=O)N2CCC3(CC[N@H+](C4CCCC4)C3)CC2)C1 ZINC001275867410 1027780119 /nfs/dbraw/zinc/78/01/19/1027780119.db2.gz KQAMRDBIHCNNDK-UHFFFAOYSA-N 1 1 316.489 3.600 20 30 DHEDMO CC[C@H](c1ccc(F)cc1F)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933648959 1027786095 /nfs/dbraw/zinc/78/60/95/1027786095.db2.gz UFJRLYKBPPOGGS-QGZVFWFLSA-N 1 1 321.367 3.754 20 30 DHEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2CCC1CCCC1 ZINC001275899491 1027813593 /nfs/dbraw/zinc/81/35/93/1027813593.db2.gz ARIQGJNKPAMLMF-LJQANCHMSA-N 1 1 304.478 3.600 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000364343109 1027813778 /nfs/dbraw/zinc/81/37/78/1027813778.db2.gz NTFKXNQYPRDKRE-HNNXBMFYSA-N 1 1 311.816 3.671 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000364343109 1027813797 /nfs/dbraw/zinc/81/37/97/1027813797.db2.gz NTFKXNQYPRDKRE-HNNXBMFYSA-N 1 1 311.816 3.671 20 30 DHEDMO N#CCC[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000600759390 1027813884 /nfs/dbraw/zinc/81/38/84/1027813884.db2.gz CYISRXWZNYGPTK-LBPRGKRZSA-N 1 1 311.248 3.879 20 30 DHEDMO COc1cncc(/C=C\CC[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933770339 1027821620 /nfs/dbraw/zinc/82/16/20/1027821620.db2.gz JGQQQYZCEGINGB-HYXAFXHYSA-N 1 1 313.426 3.559 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H](CSC)C2)cc1 ZINC000814178762 1027913635 /nfs/dbraw/zinc/91/36/35/1027913635.db2.gz CJQYWSWXMQFPJM-KRWDZBQOSA-N 1 1 303.471 3.664 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCCc2cccnc21 ZINC000365266810 1027915955 /nfs/dbraw/zinc/91/59/55/1027915955.db2.gz MBJFNDHXWBPMST-GOSISDBHSA-N 1 1 309.388 3.992 20 30 DHEDMO C=C(Cl)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000298534282 1027921871 /nfs/dbraw/zinc/92/18/71/1027921871.db2.gz MKTRDEKHXDEYRH-LBPRGKRZSA-N 1 1 301.615 3.637 20 30 DHEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)Cc2ccccc2O1 ZINC001170732232 1027933930 /nfs/dbraw/zinc/93/39/30/1027933930.db2.gz JMHAGPGNZGXFML-OAHLLOKOSA-N 1 1 311.812 3.975 20 30 DHEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)Cc2ccccc2O1 ZINC001170732232 1027933943 /nfs/dbraw/zinc/93/39/43/1027933943.db2.gz JMHAGPGNZGXFML-OAHLLOKOSA-N 1 1 311.812 3.975 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)Nc1ccccc1C ZINC000298767046 1027961897 /nfs/dbraw/zinc/96/18/97/1027961897.db2.gz CZKJHERQEBLOLX-MRXNPFEDSA-N 1 1 312.413 3.646 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)Nc1ccccc1C ZINC000298767046 1027961914 /nfs/dbraw/zinc/96/19/14/1027961914.db2.gz CZKJHERQEBLOLX-MRXNPFEDSA-N 1 1 312.413 3.646 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)c(C)c2)nc1 ZINC000934343547 1027974475 /nfs/dbraw/zinc/97/44/75/1027974475.db2.gz MYUYPSSOENPZKX-IBGZPJMESA-N 1 1 307.397 3.607 20 30 DHEDMO C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000448719496 1028011834 /nfs/dbraw/zinc/01/18/34/1028011834.db2.gz JUARXXNIUZCNDI-SPYBWZPUSA-N 1 1 311.429 3.549 20 30 DHEDMO Cc1nnc([C@@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000578000262 1028012517 /nfs/dbraw/zinc/01/25/17/1028012517.db2.gz WTXFOLMWUBGCTR-BZNIZROVSA-N 1 1 312.442 3.837 20 30 DHEDMO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000934473206 1028014520 /nfs/dbraw/zinc/01/45/20/1028014520.db2.gz XWEBYSICUDMFHV-YOEHRIQHSA-N 1 1 300.446 3.789 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000934473206 1028014531 /nfs/dbraw/zinc/01/45/31/1028014531.db2.gz XWEBYSICUDMFHV-YOEHRIQHSA-N 1 1 300.446 3.789 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2C2CC2)C1=O ZINC001276005275 1028029006 /nfs/dbraw/zinc/02/90/06/1028029006.db2.gz PWGOOYFGHUROJD-NRFANRHFSA-N 1 1 324.468 3.707 20 30 DHEDMO O[C@]1(c2ccccc2)CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000365978968 1028036560 /nfs/dbraw/zinc/03/65/60/1028036560.db2.gz MPTXHXGCHJDJIA-OAQYLSRUSA-N 1 1 323.411 3.551 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000934757849 1028103424 /nfs/dbraw/zinc/10/34/24/1028103424.db2.gz BNOAWHZJAXAFTN-DYXWJJEUSA-N 1 1 324.468 3.938 20 30 DHEDMO CCc1ccc([C@@H]2C[N@H+](CCCC#N)CCN2CCCC#N)cc1 ZINC000366993063 1028120141 /nfs/dbraw/zinc/12/01/41/1028120141.db2.gz AKOAPIYNXQATDB-FQEVSTJZSA-N 1 1 324.472 3.515 20 30 DHEDMO CCc1ccc([C@@H]2C[N@@H+](CCCC#N)CCN2CCCC#N)cc1 ZINC000366993063 1028120148 /nfs/dbraw/zinc/12/01/48/1028120148.db2.gz AKOAPIYNXQATDB-FQEVSTJZSA-N 1 1 324.472 3.515 20 30 DHEDMO CCc1ccc([C@@H]2CN(CCCC#N)CC[N@@H+]2CCCC#N)cc1 ZINC000366993063 1028120152 /nfs/dbraw/zinc/12/01/52/1028120152.db2.gz AKOAPIYNXQATDB-FQEVSTJZSA-N 1 1 324.472 3.515 20 30 DHEDMO CCc1ccc([C@@H]2CN(CCCC#N)CC[N@H+]2CCCC#N)cc1 ZINC000366993063 1028120158 /nfs/dbraw/zinc/12/01/58/1028120158.db2.gz AKOAPIYNXQATDB-FQEVSTJZSA-N 1 1 324.472 3.515 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366989619 1028120363 /nfs/dbraw/zinc/12/03/63/1028120363.db2.gz KXHORSNEEOEHPW-XLIONFOSSA-N 1 1 314.473 3.617 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366989620 1028121289 /nfs/dbraw/zinc/12/12/89/1028121289.db2.gz KXHORSNEEOEHPW-YLJYHZDGSA-N 1 1 314.473 3.617 20 30 DHEDMO C=C(C)c1cccc(NC(=O)NC[C@H]2CC[N@H+](CCC)C2)c1 ZINC000934879401 1028136401 /nfs/dbraw/zinc/13/64/01/1028136401.db2.gz RDLWPGYAFTZEQW-OAHLLOKOSA-N 1 1 301.434 3.573 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N2CCC(c3cnc[nH]3)CC2)c1 ZINC000934876685 1028136981 /nfs/dbraw/zinc/13/69/81/1028136981.db2.gz LPGHMMVGZBVYMC-UHFFFAOYSA-N 1 1 310.401 3.854 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000934877737 1028137043 /nfs/dbraw/zinc/13/70/43/1028137043.db2.gz SORFCGMPDNUBJN-RHSMWYFYSA-N 1 1 301.434 3.666 20 30 DHEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCCCC1 ZINC000448926656 1028183617 /nfs/dbraw/zinc/18/36/17/1028183617.db2.gz VVMHSRBXMJYENR-INIZCTEOSA-N 1 1 304.478 3.646 20 30 DHEDMO CC1(C)[C@@H]2C[C@H]([N@H+]3CCC[C@@H](Oc4ccccc4C#N)C3)C[C@@H]21 ZINC001170762214 1028190454 /nfs/dbraw/zinc/19/04/54/1028190454.db2.gz SBUFTXNYFUBCQY-ZJPYXAASSA-N 1 1 310.441 3.836 20 30 DHEDMO CN1CCC[C@H](C[NH2+]CCCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000367488983 1028191449 /nfs/dbraw/zinc/19/14/49/1028191449.db2.gz HQBMMSUXIAKFFE-RTBURBONSA-N 1 1 313.489 3.989 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000578623023 1028196794 /nfs/dbraw/zinc/19/67/94/1028196794.db2.gz JDENFAQUTYTSJG-FUHWJXTLSA-N 1 1 303.833 3.583 20 30 DHEDMO C[C@@H]1CCC[C@@H](C[N@@H+](C)CCOCc2ccc(C#N)cc2)C1 ZINC001170769366 1028246625 /nfs/dbraw/zinc/24/66/25/1028246625.db2.gz PTLQTHAWDNBFHW-VQIMIIECSA-N 1 1 300.446 3.833 20 30 DHEDMO CC(=NNc1cc(F)c(F)c(F)c1)c1cc(F)c(N)c(F)c1 ZINC000814864140 1028250727 /nfs/dbraw/zinc/25/07/27/1028250727.db2.gz QRDRHWBDXFPOQG-UHFFFAOYSA-N 1 1 315.245 3.800 20 30 DHEDMO COc1ccc(N=NC2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)nc1 ZINC000814909508 1028275008 /nfs/dbraw/zinc/27/50/08/1028275008.db2.gz YWGKSHIOFPDBEG-OAHLLOKOSA-N 1 1 324.428 3.543 20 30 DHEDMO Brc1cnn([NH+]=C2CC[C@@H](c3ccccc3)C2)c1 ZINC000814884351 1028281681 /nfs/dbraw/zinc/28/16/81/1028281681.db2.gz IIWJIFDEQMLDFI-GFCCVEGCSA-N 1 1 304.191 3.817 20 30 DHEDMO C[C@@H]1C(=NOCc2cccnc2)CCC[N@@H+]1Cc1ccccc1 ZINC000814884411 1028281855 /nfs/dbraw/zinc/28/18/55/1028281855.db2.gz WZYIPIMQOLDNOX-MRXNPFEDSA-N 1 1 309.413 3.639 20 30 DHEDMO CCCCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)[C@@H](C)CCC ZINC000564085295 1028298440 /nfs/dbraw/zinc/29/84/40/1028298440.db2.gz KFAXIQOEYNNKAF-HNNXBMFYSA-N 1 1 313.449 3.782 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(CO)ccc1F ZINC000528356079 1028339444 /nfs/dbraw/zinc/33/94/44/1028339444.db2.gz XIJFLEKTUMHIIU-UHFFFAOYSA-N 1 1 315.388 3.515 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(CO)ccc1F ZINC000528356079 1028339458 /nfs/dbraw/zinc/33/94/58/1028339458.db2.gz XIJFLEKTUMHIIU-UHFFFAOYSA-N 1 1 315.388 3.515 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2cc3ccccc3c(OC)c2)CC1 ZINC000449123328 1028376801 /nfs/dbraw/zinc/37/68/01/1028376801.db2.gz NWDROZPOXKLRMG-UHFFFAOYSA-N 1 1 324.468 3.979 20 30 DHEDMO Cc1ccc2c(c1)C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C(C)(C)C2 ZINC000815186585 1028407488 /nfs/dbraw/zinc/40/74/88/1028407488.db2.gz QAFLNDMSTVTDGD-HXUWFJFHSA-N 1 1 320.436 3.737 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c(F)c1 ZINC000564394598 1028426581 /nfs/dbraw/zinc/42/65/81/1028426581.db2.gz YGOGICUOTOSWOX-HXUWFJFHSA-N 1 1 322.383 3.667 20 30 DHEDMO C=C(C)COCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449190436 1028426484 /nfs/dbraw/zinc/42/64/84/1028426484.db2.gz RBDYEBHPUAYKDV-UHFFFAOYSA-N 1 1 310.526 3.848 20 30 DHEDMO CC#CCC[N@H+]1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815203852 1028426936 /nfs/dbraw/zinc/42/69/36/1028426936.db2.gz ZKFGPPCUJQTNOT-IRXDYDNUSA-N 1 1 320.477 3.511 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)c(F)c1 ZINC000564394597 1028427939 /nfs/dbraw/zinc/42/79/39/1028427939.db2.gz YGOGICUOTOSWOX-FQEVSTJZSA-N 1 1 322.383 3.667 20 30 DHEDMO CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000579532837 1028431048 /nfs/dbraw/zinc/43/10/48/1028431048.db2.gz DDKIPVXYYJBGEZ-QUCCMNQESA-N 1 1 311.473 3.646 20 30 DHEDMO CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000579532837 1028431052 /nfs/dbraw/zinc/43/10/52/1028431052.db2.gz DDKIPVXYYJBGEZ-QUCCMNQESA-N 1 1 311.473 3.646 20 30 DHEDMO N#CC1(c2ccccn2)CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000369203511 1028459550 /nfs/dbraw/zinc/45/95/50/1028459550.db2.gz CGBFUICWMBMCOW-UHFFFAOYSA-N 1 1 311.816 3.792 20 30 DHEDMO CC[C@@H](c1ccccc1O)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000369509531 1028495409 /nfs/dbraw/zinc/49/54/09/1028495409.db2.gz KVKPUGPUHIYHQG-ICSRJNTNSA-N 1 1 322.408 3.788 20 30 DHEDMO C[N@H+]1CC[C@@H](CNc2cccc(F)c2C#N)[C@H]1c1cccs1 ZINC000369560091 1028502934 /nfs/dbraw/zinc/50/29/34/1028502934.db2.gz DWRWUGMIAHJOHS-SJCJKPOMSA-N 1 1 315.417 3.864 20 30 DHEDMO Cc1cc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cs1 ZINC000449330383 1028540965 /nfs/dbraw/zinc/54/09/65/1028540965.db2.gz UFAXHJHNWVBKCR-UHFFFAOYSA-N 1 1 300.427 3.577 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)[nH]n1 ZINC000370208110 1028578450 /nfs/dbraw/zinc/57/84/50/1028578450.db2.gz PFWFKYJBURUTKP-MRXNPFEDSA-N 1 1 313.832 3.603 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)n[nH]1 ZINC000370208110 1028578456 /nfs/dbraw/zinc/57/84/56/1028578456.db2.gz PFWFKYJBURUTKP-MRXNPFEDSA-N 1 1 313.832 3.603 20 30 DHEDMO C=CCOc1ccc(CN[C@@H](C)C[N@@H+](C)C(C)C)cc1Cl ZINC000565863342 1028645348 /nfs/dbraw/zinc/64/53/48/1028645348.db2.gz TWOORXPRSCJLNS-AWEZNQCLSA-N 1 1 310.869 3.723 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H](C)CN(C)C(C)C)cc1Cl ZINC000565863342 1028645359 /nfs/dbraw/zinc/64/53/59/1028645359.db2.gz TWOORXPRSCJLNS-AWEZNQCLSA-N 1 1 310.869 3.723 20 30 DHEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)[C@@H](CO)c1ccccc1 ZINC000449454026 1028661370 /nfs/dbraw/zinc/66/13/70/1028661370.db2.gz OEFYQNPQNOOKMR-FQEVSTJZSA-N 1 1 324.424 3.535 20 30 DHEDMO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000371043607 1028666416 /nfs/dbraw/zinc/66/64/16/1028666416.db2.gz NZWDCVFYECNCQI-OAHLLOKOSA-N 1 1 318.420 3.923 20 30 DHEDMO C[C@H](/N=C/c1ccccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000778518497 1028683265 /nfs/dbraw/zinc/68/32/65/1028683265.db2.gz QFLRVXMJNQKATB-UHGMPXKVSA-N 1 1 308.425 3.722 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000566241569 1028691305 /nfs/dbraw/zinc/69/13/05/1028691305.db2.gz FKWGUCKPDKCWFI-ZWKOTPCHSA-N 1 1 301.430 3.642 20 30 DHEDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(O[C@H](C)C#N)cc2)no1 ZINC000371391694 1028702903 /nfs/dbraw/zinc/70/29/03/1028702903.db2.gz DBOCXSJPHKWMBL-RDTXWAMCSA-N 1 1 311.385 3.611 20 30 DHEDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(O[C@H](C)C#N)cc2)no1 ZINC000371391694 1028702917 /nfs/dbraw/zinc/70/29/17/1028702917.db2.gz DBOCXSJPHKWMBL-RDTXWAMCSA-N 1 1 311.385 3.611 20 30 DHEDMO C=CCC[C@@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)c1ccccc1 ZINC000566332808 1028704073 /nfs/dbraw/zinc/70/40/73/1028704073.db2.gz SNIGDUMNZDQGNH-PKOBYXMFSA-N 1 1 323.440 3.578 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CCO2)c1 ZINC000371465074 1028717453 /nfs/dbraw/zinc/71/74/53/1028717453.db2.gz ZJUUDBGZXOJDBT-HXUWFJFHSA-N 1 1 317.392 3.613 20 30 DHEDMO CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)o2)c2ccc(F)cc2O1 ZINC000371981432 1028786909 /nfs/dbraw/zinc/78/69/09/1028786909.db2.gz XBOASKLRDFZPNJ-HNNXBMFYSA-N 1 1 300.333 3.682 20 30 DHEDMO C[N@@H+]1CC[C@@H](NCC#Cc2ccccc2Cl)[C@@H]1c1ccccc1 ZINC000566884116 1028797403 /nfs/dbraw/zinc/79/74/03/1028797403.db2.gz DECFDSYUFZWWDV-UXHICEINSA-N 1 1 324.855 3.727 20 30 DHEDMO C[N@H+]1CC[C@@H](NCC#Cc2ccccc2Cl)[C@@H]1c1ccccc1 ZINC000566884116 1028797418 /nfs/dbraw/zinc/79/74/18/1028797418.db2.gz DECFDSYUFZWWDV-UXHICEINSA-N 1 1 324.855 3.727 20 30 DHEDMO CC1(C)[C@@H](c2cccc(F)c2)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000528777061 1028802192 /nfs/dbraw/zinc/80/21/92/1028802192.db2.gz XHNMNMUMGCINPB-OAHLLOKOSA-N 1 1 315.417 3.922 20 30 DHEDMO CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000528777061 1028802215 /nfs/dbraw/zinc/80/22/15/1028802215.db2.gz XHNMNMUMGCINPB-OAHLLOKOSA-N 1 1 315.417 3.922 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC=C(c2cnccc2C)CC1 ZINC000372074193 1028805947 /nfs/dbraw/zinc/80/59/47/1028805947.db2.gz SSYVFWOKCOFMBL-UHFFFAOYSA-N 1 1 319.408 3.560 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+]1CC=C(c2cnccc2C)CC1 ZINC000372074193 1028805957 /nfs/dbraw/zinc/80/59/57/1028805957.db2.gz SSYVFWOKCOFMBL-UHFFFAOYSA-N 1 1 319.408 3.560 20 30 DHEDMO C[NH+](C)[C@H](CN[C@H]1CCc2ccc(C#N)cc21)C1CCCCC1 ZINC000566944070 1028808277 /nfs/dbraw/zinc/80/82/77/1028808277.db2.gz VKVZZHMYVHMEFH-VQTJNVASSA-N 1 1 311.473 3.646 20 30 DHEDMO CCOc1cccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000567036967 1028823195 /nfs/dbraw/zinc/82/31/95/1028823195.db2.gz OBKLNHBCKLNCGO-UHFFFAOYSA-N 1 1 324.424 3.606 20 30 DHEDMO C[C@@H]1C[C@H](c2ccsc2)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000372405884 1028850078 /nfs/dbraw/zinc/85/00/78/1028850078.db2.gz ZRLBPAXUSPXXOH-CJNGLKHVSA-N 1 1 322.437 3.645 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cc1Cl ZINC000449619741 1028853270 /nfs/dbraw/zinc/85/32/70/1028853270.db2.gz QOCGZISCOXANHQ-OAHLLOKOSA-N 1 1 323.864 3.888 20 30 DHEDMO C=CCCCC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816453707 1028876670 /nfs/dbraw/zinc/87/66/70/1028876670.db2.gz SZAMVWFCLJHPSF-AEFFLSMTSA-N 1 1 301.430 3.797 20 30 DHEDMO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000372678894 1028880596 /nfs/dbraw/zinc/88/05/96/1028880596.db2.gz FHEVKKPBOPBYIW-ROUUACIJSA-N 1 1 305.510 3.903 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000372678894 1028880614 /nfs/dbraw/zinc/88/06/14/1028880614.db2.gz FHEVKKPBOPBYIW-ROUUACIJSA-N 1 1 305.510 3.903 20 30 DHEDMO N#Cc1ccc(C(F)(F)F)c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000372702033 1028885404 /nfs/dbraw/zinc/88/54/04/1028885404.db2.gz FTUQPMFLZHHAAH-QWHCGFSZSA-N 1 1 309.335 3.616 20 30 DHEDMO N#Cc1ccc(C(F)(F)F)c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000372702030 1028886328 /nfs/dbraw/zinc/88/63/28/1028886328.db2.gz FTUQPMFLZHHAAH-CHWSQXEVSA-N 1 1 309.335 3.616 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)c(F)cc1O ZINC000816485304 1028891067 /nfs/dbraw/zinc/89/10/67/1028891067.db2.gz HRCNBTWBMQPBAV-UHFFFAOYSA-N 1 1 304.752 3.688 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)c(F)cc1O ZINC000816485304 1028891084 /nfs/dbraw/zinc/89/10/84/1028891084.db2.gz HRCNBTWBMQPBAV-UHFFFAOYSA-N 1 1 304.752 3.688 20 30 DHEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3ccccc3C#N)C2)c1 ZINC000449753543 1028974306 /nfs/dbraw/zinc/97/43/06/1028974306.db2.gz GTIIAHQRISTILM-WGSAOQKQSA-N 1 1 306.409 3.945 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2SC)C1 ZINC000628405021 1029042850 /nfs/dbraw/zinc/04/28/50/1029042850.db2.gz BGXHWJTVPXKPMH-CYBMUJFWSA-N 1 1 307.459 3.824 20 30 DHEDMO N#CC1(CC[N@@H+]2CCC[C@H]2CN2CCCCC2)CCCCC1 ZINC000411216416 1029070634 /nfs/dbraw/zinc/07/06/34/1029070634.db2.gz JVMIXWBDGPHJEF-SFHVURJKSA-N 1 1 303.494 3.801 20 30 DHEDMO N#CC1(CC[N@H+]2CCC[C@H]2CN2CCCCC2)CCCCC1 ZINC000411216416 1029070641 /nfs/dbraw/zinc/07/06/41/1029070641.db2.gz JVMIXWBDGPHJEF-SFHVURJKSA-N 1 1 303.494 3.801 20 30 DHEDMO CC[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)[C@@H](CC)CN1C(C)=O ZINC000411306102 1029093309 /nfs/dbraw/zinc/09/33/09/1029093309.db2.gz LCALYAKKHGTKCA-ZWKOTPCHSA-N 1 1 319.493 3.572 20 30 DHEDMO N#CC1(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCCCC1 ZINC000411397539 1029122358 /nfs/dbraw/zinc/12/23/58/1029122358.db2.gz HUSBFWYJLAVMQO-MJGOQNOKSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CC[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CCCCC1 ZINC000411397539 1029122398 /nfs/dbraw/zinc/12/23/98/1029122398.db2.gz HUSBFWYJLAVMQO-MJGOQNOKSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CC[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CCCCC1 ZINC000411397539 1029122404 /nfs/dbraw/zinc/12/24/04/1029122404.db2.gz HUSBFWYJLAVMQO-MJGOQNOKSA-N 1 1 315.505 3.799 20 30 DHEDMO C=CCC1(C(=O)N2CC[C@H](C[N@H+](C)CCC)C2)CCCCC1 ZINC000449990592 1029130205 /nfs/dbraw/zinc/13/02/05/1029130205.db2.gz SDDQMJCLRASWRG-QGZVFWFLSA-N 1 1 306.494 3.703 20 30 DHEDMO Cc1cnccc1CC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000568877036 1029140317 /nfs/dbraw/zinc/14/03/17/1029140317.db2.gz NGEVOTFQBWRWHQ-UXHICEINSA-N 1 1 305.425 3.704 20 30 DHEDMO C=CCC1(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCCCC1 ZINC000450018022 1029146160 /nfs/dbraw/zinc/14/61/60/1029146160.db2.gz QJYVISYTYCVASE-GOSISDBHSA-N 1 1 318.505 3.703 20 30 DHEDMO COc1ccc(Br)c(C[N@H+](C)[C@H](C)CCC#N)c1 ZINC000411633202 1029172746 /nfs/dbraw/zinc/17/27/46/1029172746.db2.gz SBUMSIDKEISNOE-LLVKDONJSA-N 1 1 311.223 3.582 20 30 DHEDMO COc1ccc(Br)c(C[N@@H+](C)[C@H](C)CCC#N)c1 ZINC000411633202 1029172750 /nfs/dbraw/zinc/17/27/50/1029172750.db2.gz SBUMSIDKEISNOE-LLVKDONJSA-N 1 1 311.223 3.582 20 30 DHEDMO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)cn2)C(C)C)c(F)c1 ZINC000817584156 1029212940 /nfs/dbraw/zinc/21/29/40/1029212940.db2.gz SRJWQXYJVVPOPW-GOSISDBHSA-N 1 1 313.376 3.588 20 30 DHEDMO C[N@H+](Cc1ccc2ncccc2c1)Cc1cc(C#N)ccc1F ZINC000155406946 1029232940 /nfs/dbraw/zinc/23/29/40/1029232940.db2.gz FQMVIOMDVHYKAN-UHFFFAOYSA-N 1 1 305.356 3.878 20 30 DHEDMO C[N@@H+](Cc1ccc2ncccc2c1)Cc1cc(C#N)ccc1F ZINC000155406946 1029232949 /nfs/dbraw/zinc/23/29/49/1029232949.db2.gz FQMVIOMDVHYKAN-UHFFFAOYSA-N 1 1 305.356 3.878 20 30 DHEDMO CC[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@@H](C)C#N ZINC000120494791 1029241780 /nfs/dbraw/zinc/24/17/80/1029241780.db2.gz GZOBFVMOZIOZEC-LBPRGKRZSA-N 1 1 302.809 3.712 20 30 DHEDMO CC[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C[C@@H](C)C#N ZINC000120494791 1029241793 /nfs/dbraw/zinc/24/17/93/1029241793.db2.gz GZOBFVMOZIOZEC-LBPRGKRZSA-N 1 1 302.809 3.712 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000374289062 1029277122 /nfs/dbraw/zinc/27/71/22/1029277122.db2.gz UPSBRLIKDMXGRJ-INIZCTEOSA-N 1 1 314.477 3.729 20 30 DHEDMO C=CCC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccco1 ZINC000817942343 1029288365 /nfs/dbraw/zinc/28/83/65/1029288365.db2.gz OHYKEUPTBHYOSV-ZWKOTPCHSA-N 1 1 313.445 3.643 20 30 DHEDMO C[C@H]1CC(C)(C)C[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000412049069 1029311248 /nfs/dbraw/zinc/31/12/48/1029311248.db2.gz VZCAMJHDQYKKKP-HNNXBMFYSA-N 1 1 323.440 3.858 20 30 DHEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCCC1 ZINC000450278440 1029325541 /nfs/dbraw/zinc/32/55/41/1029325541.db2.gz RTPVMMCNZYNLMM-MSOLQXFVSA-N 1 1 312.457 3.685 20 30 DHEDMO CC(=O)c1cccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000450299346 1029332848 /nfs/dbraw/zinc/33/28/48/1029332848.db2.gz PIPYFIWPLLDPEK-UHFFFAOYSA-N 1 1 304.393 3.925 20 30 DHEDMO CC(=O)c1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000450299346 1029332866 /nfs/dbraw/zinc/33/28/66/1029332866.db2.gz PIPYFIWPLLDPEK-UHFFFAOYSA-N 1 1 304.393 3.925 20 30 DHEDMO COc1cc(C[N@H+](CCC#N)CC2CC2)cc(C(F)(F)F)c1 ZINC000529528707 1029356954 /nfs/dbraw/zinc/35/69/54/1029356954.db2.gz KQQWJBSLCPTGGM-UHFFFAOYSA-N 1 1 312.335 3.840 20 30 DHEDMO COc1cc(C[N@@H+](CCC#N)CC2CC2)cc(C(F)(F)F)c1 ZINC000529528707 1029356967 /nfs/dbraw/zinc/35/69/67/1029356967.db2.gz KQQWJBSLCPTGGM-UHFFFAOYSA-N 1 1 312.335 3.840 20 30 DHEDMO CCN(CC1(C#N)CCC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000450337700 1029398591 /nfs/dbraw/zinc/39/85/91/1029398591.db2.gz HAAKTUIFSWQHOU-HKUYNNGSSA-N 1 1 311.473 3.838 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc2cc[nH]c2c1 ZINC000529565469 1029423154 /nfs/dbraw/zinc/42/31/54/1029423154.db2.gz LLLANXJAHJGFRR-UHFFFAOYSA-N 1 1 310.397 3.832 20 30 DHEDMO C[C@@]1(Cc2cccc(F)c2)CCC[N@@H+]1Cc1nc(C#N)cs1 ZINC000570925947 1029437339 /nfs/dbraw/zinc/43/73/39/1029437339.db2.gz PNWCACZFKSGAQH-KRWDZBQOSA-N 1 1 315.417 3.751 20 30 DHEDMO C[C@@]1(Cc2cccc(F)c2)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000570925947 1029437347 /nfs/dbraw/zinc/43/73/47/1029437347.db2.gz PNWCACZFKSGAQH-KRWDZBQOSA-N 1 1 315.417 3.751 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000570972693 1029439563 /nfs/dbraw/zinc/43/95/63/1029439563.db2.gz JDSWEORTNGKOBD-SJLPKXTDSA-N 1 1 303.446 3.767 20 30 DHEDMO Cc1cc([NH+]2CCCC2)ccc1NC[C@H](O)c1ccc(C#N)cc1 ZINC000819397029 1029545642 /nfs/dbraw/zinc/54/56/42/1029545642.db2.gz GYHLTSOSUORSPS-FQEVSTJZSA-N 1 1 321.424 3.612 20 30 DHEDMO CCCC[N@H+](C)c1ccc(NC[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000819438268 1029557422 /nfs/dbraw/zinc/55/74/22/1029557422.db2.gz SLJNYOIGGIWOGZ-FQEVSTJZSA-N 1 1 323.440 3.940 20 30 DHEDMO CCCC[N@@H+](C)c1ccc(NC[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000819438268 1029557430 /nfs/dbraw/zinc/55/74/30/1029557430.db2.gz SLJNYOIGGIWOGZ-FQEVSTJZSA-N 1 1 323.440 3.940 20 30 DHEDMO CCCCCC[N@@H+](C)CC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000819737399 1029607672 /nfs/dbraw/zinc/60/76/72/1029607672.db2.gz XBJJWLQBVBDDJV-MRXNPFEDSA-N 1 1 315.461 3.590 20 30 DHEDMO C=CC1(CC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CCCCC1 ZINC001136394573 1029789437 /nfs/dbraw/zinc/78/94/37/1029789437.db2.gz OCQOPBXLIMGUEN-SJORKVTESA-N 1 1 306.494 3.750 20 30 DHEDMO O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000451341741 1029851947 /nfs/dbraw/zinc/85/19/47/1029851947.db2.gz LQUOBODFKCLUMJ-BHIYHBOVSA-N 1 1 317.860 3.707 20 30 DHEDMO C[C@@H]1CN(CCCCC#N)C2(CCCC2)C[N@H+]1CCCCC#N ZINC000451348895 1029853516 /nfs/dbraw/zinc/85/35/16/1029853516.db2.gz XZOYKIXVXVYHEQ-GOSISDBHSA-N 1 1 316.493 3.693 20 30 DHEDMO C[C@@H]1C[N@H+](CCCCC#N)C2(CCCC2)CN1CCCCC#N ZINC000451348895 1029853520 /nfs/dbraw/zinc/85/35/20/1029853520.db2.gz XZOYKIXVXVYHEQ-GOSISDBHSA-N 1 1 316.493 3.693 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCCC#N)C2(CCCC2)CN1CCCCC#N ZINC000451348895 1029853524 /nfs/dbraw/zinc/85/35/24/1029853524.db2.gz XZOYKIXVXVYHEQ-GOSISDBHSA-N 1 1 316.493 3.693 20 30 DHEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000451405317 1029869161 /nfs/dbraw/zinc/86/91/61/1029869161.db2.gz CRKXHBIWPJHGDY-OCCSQVGLSA-N 1 1 312.335 3.600 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000451458853 1029880917 /nfs/dbraw/zinc/88/09/17/1029880917.db2.gz GNLGKZLAUIVXFA-IBGZPJMESA-N 1 1 316.408 3.966 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000451458853 1029880924 /nfs/dbraw/zinc/88/09/24/1029880924.db2.gz GNLGKZLAUIVXFA-IBGZPJMESA-N 1 1 316.408 3.966 20 30 DHEDMO C=CCN1c2ccccc2[C@@]2(CC[N@H+](CC/C=C\CC)C2)C1=O ZINC001276254334 1029958656 /nfs/dbraw/zinc/95/86/56/1029958656.db2.gz CWCGQJSLTXQXJK-PRPIBZDOSA-N 1 1 310.441 3.519 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](C)CC1 ZINC000357393815 1030033267 /nfs/dbraw/zinc/03/32/67/1030033267.db2.gz XPXQNIXIJXERAC-OLZOCXBDSA-N 1 1 319.836 3.661 20 30 DHEDMO COCC[N@@H+](CCC(C)(C)C#N)Cc1ccc(F)c(Cl)c1 ZINC000451983907 1030081450 /nfs/dbraw/zinc/08/14/50/1030081450.db2.gz VDBLLEHFZGFAQZ-UHFFFAOYSA-N 1 1 312.816 3.867 20 30 DHEDMO CC[C@@H](C)Oc1ccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)cc1 ZINC000822812665 1030131838 /nfs/dbraw/zinc/13/18/38/1030131838.db2.gz JVFCTWKAZZTAOX-DOMZBBRYSA-N 1 1 314.389 3.608 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000533300630 1030261977 /nfs/dbraw/zinc/26/19/77/1030261977.db2.gz HYCBDLBVEPUSRF-CABCVRRESA-N 1 1 314.429 3.897 20 30 DHEDMO C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cccc(C#N)c1O ZINC000866394357 1030275352 /nfs/dbraw/zinc/27/53/52/1030275352.db2.gz WFERKKFSJGKVAY-SNVBAGLBSA-N 1 1 321.302 3.528 20 30 DHEDMO C=CCC[N@@H+]1CC2(C[C@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823643124 1030352017 /nfs/dbraw/zinc/35/20/17/1030352017.db2.gz MSOOUQJNRMKRMJ-OAHLLOKOSA-N 1 1 308.466 3.674 20 30 DHEDMO C#CCCC[N@@H+]1CC2(C[C@@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823650091 1030354621 /nfs/dbraw/zinc/35/46/21/1030354621.db2.gz PMALZRBQGDGEKQ-INIZCTEOSA-N 1 1 320.477 3.511 20 30 DHEDMO COc1ccc(C[C@H]2CCC[N@@H+](CCC(C)(C)C#N)C2)cc1 ZINC000557966116 1030359237 /nfs/dbraw/zinc/35/92/37/1030359237.db2.gz JXLXRJYBNVKNEJ-QGZVFWFLSA-N 1 1 300.446 3.890 20 30 DHEDMO COCC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccco1 ZINC000358433373 1030487188 /nfs/dbraw/zinc/48/71/88/1030487188.db2.gz MJEQQFHDEOSWAD-LRDDRELGSA-N 1 1 302.349 3.719 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171051014 1030503335 /nfs/dbraw/zinc/50/33/35/1030503335.db2.gz UXNZEVIYUZXMPV-DMRZNYOFSA-N 1 1 300.833 3.964 20 30 DHEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H](C)c1ccc(C(C)=O)cc1 ZINC001171052896 1030530442 /nfs/dbraw/zinc/53/04/42/1030530442.db2.gz DQFSGEAZZZNFMJ-ZDUSSCGKSA-N 1 1 320.396 3.993 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@H+]2Cc2cccc3ccccc32)C1=O ZINC001275606306 1030564928 /nfs/dbraw/zinc/56/49/28/1030564928.db2.gz YUYFKYZXQWUNQB-OAQYLSRUSA-N 1 1 320.436 3.593 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)cc1 ZINC000558412417 1030565173 /nfs/dbraw/zinc/56/51/73/1030565173.db2.gz ZEYJNNSGLFUUID-AEFFLSMTSA-N 1 1 303.446 3.767 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)cc1 ZINC000558412418 1030565369 /nfs/dbraw/zinc/56/53/69/1030565369.db2.gz ZEYJNNSGLFUUID-FUHWJXTLSA-N 1 1 303.446 3.767 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)o1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000558422469 1030571306 /nfs/dbraw/zinc/57/13/06/1030571306.db2.gz COAOIFHRSOLPCP-ZWKOTPCHSA-N 1 1 310.397 3.829 20 30 DHEDMO N#CCCOCC[N@H+]1CCCCC[C@H]1/C=C\c1cccs1 ZINC000339081283 1030602869 /nfs/dbraw/zinc/60/28/69/1030602869.db2.gz KXQDSBDGLCZDOZ-QWGSZXSUSA-N 1 1 304.459 3.936 20 30 DHEDMO C[C@H](CC(C)(C)C#N)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000926083559 1030603010 /nfs/dbraw/zinc/60/30/10/1030603010.db2.gz DBUGXZXUIXLZEB-HZPDHXFCSA-N 1 1 315.461 3.820 20 30 DHEDMO Cc1cc(C)c(COC(=O)CCc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000869337039 1030747636 /nfs/dbraw/zinc/74/76/36/1030747636.db2.gz CRDJKOJDUKMDQP-UHFFFAOYSA-N 1 1 308.381 3.555 20 30 DHEDMO C#Cc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000825226569 1030751571 /nfs/dbraw/zinc/75/15/71/1030751571.db2.gz KFNVKTUXVWVDAR-GCJKJVERSA-N 1 1 318.464 3.668 20 30 DHEDMO C#Cc1cccc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000825226569 1030751580 /nfs/dbraw/zinc/75/15/80/1030751580.db2.gz KFNVKTUXVWVDAR-GCJKJVERSA-N 1 1 318.464 3.668 20 30 DHEDMO C#Cc1cccc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000825226569 1030751596 /nfs/dbraw/zinc/75/15/96/1030751596.db2.gz KFNVKTUXVWVDAR-GCJKJVERSA-N 1 1 318.464 3.668 20 30 DHEDMO N#C[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000248756621 1030766810 /nfs/dbraw/zinc/76/68/10/1030766810.db2.gz GGMIWYUZHYEQEB-OWBSXZKWSA-N 1 1 323.484 3.854 20 30 DHEDMO C=CC[N@@H+](Cc1nc([C@H](C)OCC)no1)CC1CCCCC1 ZINC000076730013 1030819273 /nfs/dbraw/zinc/81/92/73/1030819273.db2.gz ADVBWGLUGYMJNO-AWEZNQCLSA-N 1 1 307.438 3.735 20 30 DHEDMO C=CC[N@H+](Cc1nc([C@H](C)OCC)no1)CC1CCCCC1 ZINC000076730013 1030819287 /nfs/dbraw/zinc/81/92/87/1030819287.db2.gz ADVBWGLUGYMJNO-AWEZNQCLSA-N 1 1 307.438 3.735 20 30 DHEDMO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cn2c(n1)CCCC2 ZINC000926672347 1030850053 /nfs/dbraw/zinc/85/00/53/1030850053.db2.gz SIPUFTKJEOQUQM-HNNXBMFYSA-N 1 1 320.440 3.821 20 30 DHEDMO COc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1C(F)(F)F ZINC001143644539 1030876977 /nfs/dbraw/zinc/87/69/77/1030876977.db2.gz HVVAYUFLVBAKJH-LBPRGKRZSA-N 1 1 312.335 3.840 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1C(F)(F)F ZINC001143644539 1030876993 /nfs/dbraw/zinc/87/69/93/1030876993.db2.gz HVVAYUFLVBAKJH-LBPRGKRZSA-N 1 1 312.335 3.840 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c1=S ZINC000078493621 1030981132 /nfs/dbraw/zinc/98/11/32/1030981132.db2.gz FMJVCBNLXQEYOZ-DZGCQCFKSA-N 1 1 320.506 3.945 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c1=S ZINC000078493621 1030981139 /nfs/dbraw/zinc/98/11/39/1030981139.db2.gz FMJVCBNLXQEYOZ-DZGCQCFKSA-N 1 1 320.506 3.945 20 30 DHEDMO N#Cc1ccc(C[NH2+]CC2(N3CCCCC3)CCCCC2)cc1 ZINC000237841730 1031032349 /nfs/dbraw/zinc/03/23/49/1031032349.db2.gz PTCKSZHWDQCQLS-UHFFFAOYSA-N 1 1 311.473 3.837 20 30 DHEDMO C#CC[N@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CCCC1 ZINC000757419401 1031073896 /nfs/dbraw/zinc/07/38/96/1031073896.db2.gz TUICKJNKOYBGPB-UHFFFAOYSA-N 1 1 309.356 3.674 20 30 DHEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CCCSCC#N)[C@H]2C ZINC000359652843 1031079538 /nfs/dbraw/zinc/07/95/38/1031079538.db2.gz NOKQTPCTQWQQFG-KBPBESRZSA-N 1 1 304.459 3.650 20 30 DHEDMO COc1ccc(N(C)CC[N@@H+](C)CCCCC(C)(C)C#N)cc1 ZINC000844401775 1031101588 /nfs/dbraw/zinc/10/15/88/1031101588.db2.gz MXPFXJSSKLQIBA-UHFFFAOYSA-N 1 1 317.477 3.783 20 30 DHEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000359841772 1031159332 /nfs/dbraw/zinc/15/93/32/1031159332.db2.gz PBZLAYCJQIYVML-QFBILLFUSA-N 1 1 312.457 3.534 20 30 DHEDMO C=CCC(C)(C)C(=O)Nc1sc(N)c2c1C[N@@H+](CCC)CC2 ZINC001144066241 1031211223 /nfs/dbraw/zinc/21/12/23/1031211223.db2.gz UHKRNCSNWIQMSE-UHFFFAOYSA-N 1 1 321.490 3.639 20 30 DHEDMO CCC(C)(C)[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000347386295 1031212763 /nfs/dbraw/zinc/21/27/63/1031212763.db2.gz XYHFMWQJIIQKCW-UHFFFAOYSA-N 1 1 321.852 3.707 20 30 DHEDMO C#CC[N@@H+](Cc1ccc2cc[nH]c2n1)[C@@H]1CCc2ccccc21 ZINC001144179794 1031303632 /nfs/dbraw/zinc/30/36/32/1031303632.db2.gz UBTCUCWWABOGRU-LJQANCHMSA-N 1 1 301.393 3.686 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(c3ccc(F)cc3F)CC2)nc1 ZINC001144169661 1031309559 /nfs/dbraw/zinc/30/95/59/1031309559.db2.gz QOIZEUCVGTYRCD-UHFFFAOYSA-N 1 1 313.351 3.611 20 30 DHEDMO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](C#N)CC2)c1 ZINC001144219613 1031336560 /nfs/dbraw/zinc/33/65/60/1031336560.db2.gz ZOBKOVWWJDHNEJ-ZDUSSCGKSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001144219613 1031336579 /nfs/dbraw/zinc/33/65/79/1031336579.db2.gz ZOBKOVWWJDHNEJ-ZDUSSCGKSA-N 1 1 307.235 3.883 20 30 DHEDMO C[N@@H+](Cc1ccc(-n2cccc2)cc1)Cc1cccc(C#N)c1 ZINC001144252705 1031391961 /nfs/dbraw/zinc/39/19/61/1031391961.db2.gz VHAJBXPCDDSGFM-UHFFFAOYSA-N 1 1 301.393 3.981 20 30 DHEDMO C=C(CC)C[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000536882006 1031466705 /nfs/dbraw/zinc/46/67/05/1031466705.db2.gz QVHDSRFIOSBWJW-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO C=C(CC)C[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000536882006 1031466709 /nfs/dbraw/zinc/46/67/09/1031466709.db2.gz QVHDSRFIOSBWJW-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO C[N@@H+](CCc1cccc(NCc2ccc(C#N)cc2F)c1)C1CC1 ZINC000537024537 1031490902 /nfs/dbraw/zinc/49/09/02/1031490902.db2.gz OPSNLBLEBDNJBG-UHFFFAOYSA-N 1 1 323.415 3.946 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1F ZINC000537047299 1031496111 /nfs/dbraw/zinc/49/61/11/1031496111.db2.gz BNEYQVUFAIVXQQ-SFHVURJKSA-N 1 1 309.388 3.774 20 30 DHEDMO CC(C)[N@@H+](CCOC1CCSCC1)Cc1ccc(C#N)cc1 ZINC000929379679 1031507995 /nfs/dbraw/zinc/50/79/95/1031507995.db2.gz GCPMKLQJOKPAGP-UHFFFAOYSA-N 1 1 318.486 3.681 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(O)cc1C(F)(F)F ZINC001144386211 1031518604 /nfs/dbraw/zinc/51/86/04/1031518604.db2.gz VQRHKDKZCZUIHT-UHFFFAOYSA-N 1 1 320.314 3.915 20 30 DHEDMO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1N(C)C)c1ccc(C#N)cc1 ZINC000360759078 1031549089 /nfs/dbraw/zinc/54/90/89/1031549089.db2.gz MHYZVKBDKSWCFJ-ONGXBYRLSA-N 1 1 319.452 3.827 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C2(c3cc(F)ccc3C)CC2)no1 ZINC000872181932 1031552772 /nfs/dbraw/zinc/55/27/72/1031552772.db2.gz SCQIXBYMTDUESV-CYBMUJFWSA-N 1 1 321.783 3.739 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000872280365 1031572494 /nfs/dbraw/zinc/57/24/94/1031572494.db2.gz LLUMHRXCYVRHAW-IBGZPJMESA-N 1 1 301.405 3.601 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)ccc1F ZINC000872281810 1031576432 /nfs/dbraw/zinc/57/64/32/1031576432.db2.gz WDEYDNNJHAMNBK-KRWDZBQOSA-N 1 1 302.393 3.621 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000360834502 1031581697 /nfs/dbraw/zinc/58/16/97/1031581697.db2.gz IPLPGMIHFOBZEQ-ZCNNSNEGSA-N 1 1 309.457 3.542 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000360834502 1031581705 /nfs/dbraw/zinc/58/17/05/1031581705.db2.gz IPLPGMIHFOBZEQ-ZCNNSNEGSA-N 1 1 309.457 3.542 20 30 DHEDMO C[N@H+](Cc1nccn1Cc1ccccc1)CC1CCC(C#N)CC1 ZINC000929721852 1031589246 /nfs/dbraw/zinc/58/92/46/1031589246.db2.gz BYDMFYWZJGNVRD-UHFFFAOYSA-N 1 1 322.456 3.693 20 30 DHEDMO C[C@@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1ccc(C#N)c(F)c1 ZINC000537406797 1031595597 /nfs/dbraw/zinc/59/55/97/1031595597.db2.gz IYJXWLCMNMIJES-KUHUBIRLSA-N 1 1 317.452 3.858 20 30 DHEDMO CC[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)[C@H](CC)CN1C(C)=O ZINC000929766507 1031602754 /nfs/dbraw/zinc/60/27/54/1031602754.db2.gz NMCLKJOTKFNAQU-QZTJIDSGSA-N 1 1 319.493 3.572 20 30 DHEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000929788666 1031608584 /nfs/dbraw/zinc/60/85/84/1031608584.db2.gz ASUSKGHZIHNVTH-OAHLLOKOSA-N 1 1 306.450 3.657 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000929806479 1031614838 /nfs/dbraw/zinc/61/48/38/1031614838.db2.gz BBNFCRBCHBJMDA-GQGLESIBSA-N 1 1 318.486 3.966 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000929833549 1031620917 /nfs/dbraw/zinc/62/09/17/1031620917.db2.gz KEODRNHYKFBTFJ-QGZVFWFLSA-N 1 1 312.438 3.810 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000929833549 1031620924 /nfs/dbraw/zinc/62/09/24/1031620924.db2.gz KEODRNHYKFBTFJ-QGZVFWFLSA-N 1 1 312.438 3.810 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCC[C@H](Sc3ccncc3)C2)cc1 ZINC001144573085 1031721191 /nfs/dbraw/zinc/72/11/91/1031721191.db2.gz APLZVWPZMJPNON-IBGZPJMESA-N 1 1 308.450 3.820 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000930299069 1031774367 /nfs/dbraw/zinc/77/43/67/1031774367.db2.gz AOVCKMBNZHMPGC-CPLYBDICSA-N 1 1 304.478 3.722 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000846011472 1031803218 /nfs/dbraw/zinc/80/32/18/1031803218.db2.gz XZBLUQDUYKRJBY-SFHVURJKSA-N 1 1 320.864 3.953 20 30 DHEDMO COc1ccc2c(c1)C[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171204341 1031806349 /nfs/dbraw/zinc/80/63/49/1031806349.db2.gz WALULANPQCWGFW-HNNXBMFYSA-N 1 1 306.409 3.556 20 30 DHEDMO Cc1cc(C[NH2+][C@H]2CCOc3c(F)ccc(F)c32)ccc1C#N ZINC000361251024 1031816586 /nfs/dbraw/zinc/81/65/86/1031816586.db2.gz KXOXFCOBABSARA-INIZCTEOSA-N 1 1 314.335 3.758 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)CCC1 ZINC000930461344 1031830302 /nfs/dbraw/zinc/83/03/02/1031830302.db2.gz PTYDHNTUKRQJGS-OAHLLOKOSA-N 1 1 318.383 3.630 20 30 DHEDMO N#CC1(CCCC[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)CCC1 ZINC000930521033 1031856619 /nfs/dbraw/zinc/85/66/19/1031856619.db2.gz HSZMRPOUKIPHFK-IAGOWNOFSA-N 1 1 302.462 3.884 20 30 DHEDMO C=CCC(CC=C)C(=O)N1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000361334500 1031869856 /nfs/dbraw/zinc/86/98/56/1031869856.db2.gz GTRRAWKORCSXHT-KRWDZBQOSA-N 1 1 313.445 3.561 20 30 DHEDMO C[N@@H+](CC1CCC(C#N)CC1)[C@H](CO)c1ccc(Cl)cc1 ZINC000930609214 1031886458 /nfs/dbraw/zinc/88/64/58/1031886458.db2.gz DAEJXVRXLJYQIB-MQBCKMQZSA-N 1 1 306.837 3.635 20 30 DHEDMO N#Cc1ccc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000561418790 1031893060 /nfs/dbraw/zinc/89/30/60/1031893060.db2.gz VQYHUPSDQNBXBK-OAQYLSRUSA-N 1 1 317.436 3.661 20 30 DHEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000361423157 1031917272 /nfs/dbraw/zinc/91/72/72/1031917272.db2.gz RZYSFWNTEFZWRL-KRWDZBQOSA-N 1 1 324.371 3.551 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000930764037 1031942256 /nfs/dbraw/zinc/94/22/56/1031942256.db2.gz IWBWUZQMRWAZLG-DFBGVHRSSA-N 1 1 312.335 3.661 20 30 DHEDMO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](c1nccn1C)c1ccc(F)cc1F ZINC000898107815 1031949168 /nfs/dbraw/zinc/94/91/68/1031949168.db2.gz XPUSQSOMASKQJT-AHIWAGSCSA-N 1 1 319.399 3.978 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)C[C@]1(O)CCc2ccccc21 ZINC000930812092 1031956559 /nfs/dbraw/zinc/95/65/59/1031956559.db2.gz GYNSGBNPAXBEBR-HXUWFJFHSA-N 1 1 312.457 3.616 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000930809996 1031958606 /nfs/dbraw/zinc/95/86/06/1031958606.db2.gz FCRFGQPRSAXCNS-WBVHZDCISA-N 1 1 304.821 3.603 20 30 DHEDMO CCOc1ccccc1C1=CC[N@@H+](Cc2cc(C#N)n(C)c2)CC1 ZINC000361555280 1031982365 /nfs/dbraw/zinc/98/23/65/1031982365.db2.gz AFBXPKAYPRNUGA-UHFFFAOYSA-N 1 1 321.424 3.585 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001171227872 1031992628 /nfs/dbraw/zinc/99/26/28/1031992628.db2.gz BQQQIRSLNJZPAE-INIZCTEOSA-N 1 1 307.441 3.687 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)CC/C=C/c1cccnc1 ZINC001171229571 1031995765 /nfs/dbraw/zinc/99/57/65/1031995765.db2.gz PEYSQCQNUHDFDY-GALSZHCDSA-N 1 1 305.425 3.920 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001171231206 1031998429 /nfs/dbraw/zinc/99/84/29/1031998429.db2.gz IAVQGABPKBNXRO-OXJNMPFZSA-N 1 1 318.420 3.694 20 30 DHEDMO COc1cccc([C@H]2CC[N@H+]([C@H](C)Cc3cccc(C#N)c3)C2)c1 ZINC001171231883 1032000464 /nfs/dbraw/zinc/00/04/64/1032000464.db2.gz NEEWTTVIGVAZPH-UZLBHIALSA-N 1 1 320.436 3.987 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001171231671 1032001085 /nfs/dbraw/zinc/00/10/85/1032001085.db2.gz KQDXQCSVIUWSPX-OXQOHEQNSA-N 1 1 312.457 3.770 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CC=CCC1 ZINC000361677222 1032050539 /nfs/dbraw/zinc/05/05/39/1032050539.db2.gz FKTHYZIJFKRWII-OAHLLOKOSA-N 1 1 302.393 3.502 20 30 DHEDMO C[C@@H](C[N@@H+](C)CCCCC(C)(C)C#N)NC(=O)OC(C)(C)C ZINC000860097712 1033298150 /nfs/dbraw/zinc/29/81/50/1033298150.db2.gz VXWFCQLIJORPNJ-AWEZNQCLSA-N 1 1 311.470 3.551 20 30 DHEDMO CCC[N@@H+]([C@@H](C)CC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172981395 1033491632 /nfs/dbraw/zinc/49/16/32/1033491632.db2.gz VXKPOEAVVVCZLB-XHSDSOJGSA-N 1 1 323.481 3.789 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@H](C)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001173088127 1033518814 /nfs/dbraw/zinc/51/88/14/1033518814.db2.gz PVRSIHYCLWWWRU-KGLIPLIRSA-N 1 1 311.347 3.861 20 30 DHEDMO C=CC[C@H](C)[N@@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000877932283 1033521801 /nfs/dbraw/zinc/52/18/01/1033521801.db2.gz ORJKPNGNSNBFNA-LBPRGKRZSA-N 1 1 314.351 3.930 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)C(C1CC1)C1CC1)c1ccccc1 ZINC000878018009 1033556834 /nfs/dbraw/zinc/55/68/34/1033556834.db2.gz GDDNPUMXTVNWFK-FQEVSTJZSA-N 1 1 310.441 3.547 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1nnc(-c2ccccc2O)o1 ZINC000878123811 1033589808 /nfs/dbraw/zinc/58/98/08/1033589808.db2.gz BLXRDCSKLQPCHT-UHFFFAOYSA-N 1 1 301.390 3.620 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000878153986 1033601947 /nfs/dbraw/zinc/60/19/47/1033601947.db2.gz SLKNQUBZDBNXSS-GUDVDZBRSA-N 1 1 310.441 3.860 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000878153986 1033601952 /nfs/dbraw/zinc/60/19/52/1033601952.db2.gz SLKNQUBZDBNXSS-GUDVDZBRSA-N 1 1 310.441 3.860 20 30 DHEDMO CCSC[C@@H](C)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001173305986 1033658753 /nfs/dbraw/zinc/65/87/53/1033658753.db2.gz CQEFSYLEAFMJRJ-ZBFHGGJFSA-N 1 1 304.459 3.543 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3C[C@H]4CCC[C@H]4O3)CC2)cc1 ZINC000878334033 1033659845 /nfs/dbraw/zinc/65/98/45/1033659845.db2.gz MEJPRWCFCLKSNE-HSALFYBXSA-N 1 1 308.425 3.605 20 30 DHEDMO CCCCCCCC[C@H](CCC)[N@H+]1CC[C@H](O)[C@@](C)(CO)C1 ZINC001173309367 1033663119 /nfs/dbraw/zinc/66/31/19/1033663119.db2.gz HEJJCHAGLUGVMN-GBESFXJTSA-N 1 1 313.526 3.971 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@@H](C)C2(CCC2)C1)c1ccccc1 ZINC000878337100 1033663214 /nfs/dbraw/zinc/66/32/14/1033663214.db2.gz BVIGHUXRNOXORC-UTKZUKDTSA-N 1 1 324.468 3.939 20 30 DHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@H]1CC[C@H](CC)C1)CCO2 ZINC001173282436 1033673772 /nfs/dbraw/zinc/67/37/72/1033673772.db2.gz YNHVENMXTQUTLK-CADBVGFASA-N 1 1 307.478 3.639 20 30 DHEDMO C=CCOC1CCC([N@@H+](C)Cc2nc3ccccc3o2)CC1 ZINC001173326826 1033684464 /nfs/dbraw/zinc/68/44/64/1033684464.db2.gz SPOGUACCBOQBBI-UHFFFAOYSA-N 1 1 300.402 3.773 20 30 DHEDMO C=CCOC1CCC([N@H+](Cc2ccccc2)CC(C)(C)O)CC1 ZINC001173322307 1033685231 /nfs/dbraw/zinc/68/52/31/1033685231.db2.gz AVZRNHZUWVTCND-UHFFFAOYSA-N 1 1 317.473 3.773 20 30 DHEDMO C=CCOC1CCC([N@@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001173320945 1033685379 /nfs/dbraw/zinc/68/53/79/1033685379.db2.gz UJOQBMQOXNGQHS-XEVCZEQESA-N 1 1 320.521 3.841 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001173320945 1033685383 /nfs/dbraw/zinc/68/53/83/1033685383.db2.gz UJOQBMQOXNGQHS-XEVCZEQESA-N 1 1 320.521 3.841 20 30 DHEDMO C#CCCCCC[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000878548371 1033748137 /nfs/dbraw/zinc/74/81/37/1033748137.db2.gz WRAXVYOQCVHXNR-UHFFFAOYSA-N 1 1 307.441 3.715 20 30 DHEDMO CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)CC(C)(C)C ZINC000878638120 1033777268 /nfs/dbraw/zinc/77/72/68/1033777268.db2.gz YJMVGKAGFIAKQG-LJQANCHMSA-N 1 1 300.446 3.795 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(C)(C)C ZINC001173591362 1033781474 /nfs/dbraw/zinc/78/14/74/1033781474.db2.gz PIGLFNCHUFFUIT-TXKKKEFDSA-N 1 1 308.466 3.805 20 30 DHEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596538 1033782380 /nfs/dbraw/zinc/78/23/80/1033782380.db2.gz ZXUSTWSBTVKDRK-SYJJWHGVSA-N 1 1 306.450 3.513 20 30 DHEDMO CC(C)(O)C[N@@H+](Cc1ccccc1)C1CCC(C)(C#N)CC1 ZINC001173597751 1033783388 /nfs/dbraw/zinc/78/33/88/1033783388.db2.gz HWVPNDJQQVBBCY-UHFFFAOYSA-N 1 1 300.446 3.732 20 30 DHEDMO CC[C@@H]1CC[C@H](C)[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878689087 1033799489 /nfs/dbraw/zinc/79/94/89/1033799489.db2.gz ZORGQYWWGHOEDA-ILZDJORESA-N 1 1 312.457 3.938 20 30 DHEDMO C#CCCCCC[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000878718315 1033805548 /nfs/dbraw/zinc/80/55/48/1033805548.db2.gz CVZGWHSHZAKVIG-WGSAOQKQSA-N 1 1 315.457 3.691 20 30 DHEDMO CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)C1CC(C)(C)C1 ZINC000878712237 1033806819 /nfs/dbraw/zinc/80/68/19/1033806819.db2.gz ALVKPEJPBRGBLD-FQEVSTJZSA-N 1 1 312.457 3.938 20 30 DHEDMO C#CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(C)cccc2Cl)C1 ZINC000878759750 1033820770 /nfs/dbraw/zinc/82/07/70/1033820770.db2.gz ADNHQTGNUNOLSG-CABCVRRESA-N 1 1 318.848 3.711 20 30 DHEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2Cl)C1 ZINC000878759750 1033820782 /nfs/dbraw/zinc/82/07/82/1033820782.db2.gz ADNHQTGNUNOLSG-CABCVRRESA-N 1 1 318.848 3.711 20 30 DHEDMO CCCCCCCNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000862358752 1033827815 /nfs/dbraw/zinc/82/78/15/1033827815.db2.gz UMAQPYDWGVQGMO-UHFFFAOYSA-N 1 1 317.477 3.693 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(OC(=O)CC)c(OCC)c2)C1 ZINC000862441520 1033855319 /nfs/dbraw/zinc/85/53/19/1033855319.db2.gz SFNFTXYIUPSCPX-OAHLLOKOSA-N 1 1 317.429 3.799 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000862443364 1033855349 /nfs/dbraw/zinc/85/53/49/1033855349.db2.gz OTGRPSXAZIQXRQ-HNNXBMFYSA-N 1 1 319.408 3.679 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(NC(=O)OC(C)(C)C)nc2)C1 ZINC000862441769 1033856459 /nfs/dbraw/zinc/85/64/59/1033856459.db2.gz VVSNBOSEDCDGDN-CQSZACIVSA-N 1 1 317.433 3.827 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000862445545 1033858180 /nfs/dbraw/zinc/85/81/80/1033858180.db2.gz WTVMGWSHQPAOAD-CQSZACIVSA-N 1 1 310.353 3.700 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000862445050 1033858727 /nfs/dbraw/zinc/85/87/27/1033858727.db2.gz KVLSYVPWPSKBST-INIZCTEOSA-N 1 1 306.409 3.602 20 30 DHEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000879086887 1033917422 /nfs/dbraw/zinc/91/74/22/1033917422.db2.gz CLPAJGTVGCOLOK-AEFFLSMTSA-N 1 1 314.473 3.616 20 30 DHEDMO CN(C)C(=O)Sc1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000879311199 1033977936 /nfs/dbraw/zinc/97/79/36/1033977936.db2.gz ODNWGWPYWJZLJF-GOEBONIOSA-N 1 1 317.458 3.584 20 30 DHEDMO CN(C)C(=O)Sc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000879311199 1033977945 /nfs/dbraw/zinc/97/79/45/1033977945.db2.gz ODNWGWPYWJZLJF-GOEBONIOSA-N 1 1 317.458 3.584 20 30 DHEDMO Cc1ccc2c(C[N@@H+](C)[C@H]3CCC[C@@H]3C#N)cc(=O)oc2c1C ZINC000879311465 1033980833 /nfs/dbraw/zinc/98/08/33/1033980833.db2.gz QWFAHNZAQXZDKV-PBHICJAKSA-N 1 1 310.397 3.534 20 30 DHEDMO Cc1ccc2c(C[N@H+](C)[C@H]3CCC[C@@H]3C#N)cc(=O)oc2c1C ZINC000879311465 1033980839 /nfs/dbraw/zinc/98/08/39/1033980839.db2.gz QWFAHNZAQXZDKV-PBHICJAKSA-N 1 1 310.397 3.534 20 30 DHEDMO Cc1ccc2c(C[N@@H+](C)[C@H]3CCC[C@H]3C#N)cc(=O)oc2c1C ZINC000879311468 1033981216 /nfs/dbraw/zinc/98/12/16/1033981216.db2.gz QWFAHNZAQXZDKV-YOEHRIQHSA-N 1 1 310.397 3.534 20 30 DHEDMO Cc1ccc2c(C[N@H+](C)[C@H]3CCC[C@H]3C#N)cc(=O)oc2c1C ZINC000879311468 1033981232 /nfs/dbraw/zinc/98/12/32/1033981232.db2.gz QWFAHNZAQXZDKV-YOEHRIQHSA-N 1 1 310.397 3.534 20 30 DHEDMO CN(C)c1ccc(C=[NH+]NCc2ccccc2)c(C(F)(F)F)c1 ZINC000794482297 1033989501 /nfs/dbraw/zinc/98/95/01/1033989501.db2.gz RPLDPQSKZXRLLV-UHFFFAOYSA-N 1 1 321.346 3.895 20 30 DHEDMO COc1cncc(/C=C/CC[N@@H+](C)CCc2cccc(C#N)c2)c1 ZINC000879433099 1034015313 /nfs/dbraw/zinc/01/53/13/1034015313.db2.gz SXJZRCAGJOEEPR-ZZXKWVIFSA-N 1 1 321.424 3.540 20 30 DHEDMO CCC(CC)N[NH+]=Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000794512112 1034067878 /nfs/dbraw/zinc/06/78/78/1034067878.db2.gz NKELXZVCZGDWSI-UHFFFAOYSA-N 1 1 301.356 3.884 20 30 DHEDMO Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)c1 ZINC000879747875 1034110124 /nfs/dbraw/zinc/11/01/24/1034110124.db2.gz SHVPMPLGYVHDBC-IBGZPJMESA-N 1 1 307.397 3.630 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cncc(C)c2)cc1C#N ZINC000879749501 1034113076 /nfs/dbraw/zinc/11/30/76/1034113076.db2.gz JETBKWXTYUENHA-GOSISDBHSA-N 1 1 307.397 3.607 20 30 DHEDMO N#CC1(CC[N@H+]2CCO[C@H](C(F)(F)F)CC2)CCCCC1 ZINC000880051485 1034195434 /nfs/dbraw/zinc/19/54/34/1034195434.db2.gz UKDPHKZMTLGJJJ-ZDUSSCGKSA-N 1 1 304.356 3.504 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880062998 1034197878 /nfs/dbraw/zinc/19/78/78/1034197878.db2.gz TYDGBOVHTBPMRI-TYNCELHUSA-N 1 1 312.335 3.661 20 30 DHEDMO C[C@H](C#N)OCC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000794565884 1034201481 /nfs/dbraw/zinc/20/14/81/1034201481.db2.gz DOWSLFAWCSARHD-QAPCUYQASA-N 1 1 324.428 3.532 20 30 DHEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000794565884 1034201491 /nfs/dbraw/zinc/20/14/91/1034201491.db2.gz DOWSLFAWCSARHD-QAPCUYQASA-N 1 1 324.428 3.532 20 30 DHEDMO CC(=NN1CC[NH+](C)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000863950774 1034229359 /nfs/dbraw/zinc/22/93/59/1034229359.db2.gz MWJZXUJQQWBVFN-UHFFFAOYSA-N 1 1 317.433 3.526 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)C1 ZINC000880276735 1034272098 /nfs/dbraw/zinc/27/20/98/1034272098.db2.gz JSTJAHDVJXUSSH-BPQIPLTHSA-N 1 1 320.440 3.948 20 30 DHEDMO C=CCCC[C@H]([NH2+]Cc1nnnn1C(C)(C)C)c1ccccc1 ZINC000880390216 1034319128 /nfs/dbraw/zinc/31/91/28/1034319128.db2.gz OVPSUVJLMGXHAZ-INIZCTEOSA-N 1 1 313.449 3.615 20 30 DHEDMO C=CCCC[C@@H]([NH2+]Cc1nc(C2CC2)nn1C)c1ccccc1 ZINC000880390902 1034322898 /nfs/dbraw/zinc/32/28/98/1034322898.db2.gz YESGPEFGPPUGOY-QGZVFWFLSA-N 1 1 310.445 3.880 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)s1 ZINC000880577964 1034365694 /nfs/dbraw/zinc/36/56/94/1034365694.db2.gz PCWWTXFYQQWQFN-OAHLLOKOSA-N 1 1 304.459 3.648 20 30 DHEDMO Cc1cc(C#N)c(Nc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC001174444354 1034386487 /nfs/dbraw/zinc/38/64/87/1034386487.db2.gz JGGALZZNLMCRHO-UHFFFAOYSA-N 1 1 313.426 3.504 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1Cl ZINC000554888787 1034394445 /nfs/dbraw/zinc/39/44/45/1034394445.db2.gz SSLBFHMWAKNDIN-RHSMWYFYSA-N 1 1 322.880 3.677 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1Cl ZINC000554888787 1034394455 /nfs/dbraw/zinc/39/44/55/1034394455.db2.gz SSLBFHMWAKNDIN-RHSMWYFYSA-N 1 1 322.880 3.677 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000554888787 1034394467 /nfs/dbraw/zinc/39/44/67/1034394467.db2.gz SSLBFHMWAKNDIN-RHSMWYFYSA-N 1 1 322.880 3.677 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+](C)CCc1ccc(C(F)(F)F)cc1 ZINC001252605463 1034435608 /nfs/dbraw/zinc/43/56/08/1034435608.db2.gz OEFYYVUYLVCJIK-HNNXBMFYSA-N 1 1 301.352 3.507 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000481228621 1034674436 /nfs/dbraw/zinc/67/44/36/1034674436.db2.gz NLIYQGSFHSJQLR-IBGZPJMESA-N 1 1 308.425 3.552 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000481228621 1034674442 /nfs/dbraw/zinc/67/44/42/1034674442.db2.gz NLIYQGSFHSJQLR-IBGZPJMESA-N 1 1 308.425 3.552 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)Cc1ccccc1 ZINC000555421944 1034689906 /nfs/dbraw/zinc/68/99/06/1034689906.db2.gz XOFWSCZESHZITQ-HKUYNNGSSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)Cc1ccccc1 ZINC000555421944 1034689912 /nfs/dbraw/zinc/68/99/12/1034689912.db2.gz XOFWSCZESHZITQ-HKUYNNGSSA-N 1 1 314.473 3.712 20 30 DHEDMO COc1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)ccc1C ZINC001175012957 1034736033 /nfs/dbraw/zinc/73/60/33/1034736033.db2.gz QTPWBBOUKSAZBZ-UHFFFAOYSA-N 1 1 313.426 3.668 20 30 DHEDMO C=CCC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000188225486 1034742669 /nfs/dbraw/zinc/74/26/69/1034742669.db2.gz UEPAPJUVKGLTAO-QRQLOZEOSA-N 1 1 314.473 3.678 20 30 DHEDMO C[C@@H]1C[C@H](NCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000080339204 1034852406 /nfs/dbraw/zinc/85/24/06/1034852406.db2.gz ACZPYAAOUGFQFV-DYESRHJHSA-N 1 1 319.452 3.701 20 30 DHEDMO C[C@@H]1C[C@H](NCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000080339204 1034852409 /nfs/dbraw/zinc/85/24/09/1034852409.db2.gz ACZPYAAOUGFQFV-DYESRHJHSA-N 1 1 319.452 3.701 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCCC[C@@H](C)C1 ZINC000481604054 1034902402 /nfs/dbraw/zinc/90/24/02/1034902402.db2.gz KKHHPZFCVUIQRE-HZPDHXFCSA-N 1 1 320.502 3.773 20 30 DHEDMO CCC#C[C@@H](C)[N@H+]1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001175267744 1034914628 /nfs/dbraw/zinc/91/46/28/1034914628.db2.gz KDZGFYCYAYRVSV-HZPDHXFCSA-N 1 1 308.466 3.558 20 30 DHEDMO Cc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c(F)c1 ZINC001175321451 1034934286 /nfs/dbraw/zinc/93/42/86/1034934286.db2.gz ZTGCWQABAFILIF-UHFFFAOYSA-N 1 1 301.390 3.799 20 30 DHEDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000481721159 1034951070 /nfs/dbraw/zinc/95/10/70/1034951070.db2.gz HTKFYLOFMSZWKA-MFKMUULPSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000481721159 1034951077 /nfs/dbraw/zinc/95/10/77/1034951077.db2.gz HTKFYLOFMSZWKA-MFKMUULPSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000481721150 1034951668 /nfs/dbraw/zinc/95/16/68/1034951668.db2.gz HTKFYLOFMSZWKA-GWCFXTLKSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000481721150 1034951679 /nfs/dbraw/zinc/95/16/79/1034951679.db2.gz HTKFYLOFMSZWKA-GWCFXTLKSA-N 1 1 300.299 3.860 20 30 DHEDMO Cc1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc2c[nH]nc21 ZINC001175517014 1035022528 /nfs/dbraw/zinc/02/25/28/1035022528.db2.gz NFIPPOFDJBTZOV-UHFFFAOYSA-N 1 1 323.425 3.536 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001175532463 1035028176 /nfs/dbraw/zinc/02/81/76/1035028176.db2.gz PAJIYWPDSOKBMM-SFTDATJTSA-N 1 1 320.436 3.953 20 30 DHEDMO C=CC(C)(C)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000448709462 1035069011 /nfs/dbraw/zinc/06/90/11/1035069011.db2.gz PJPFJIXDCRSRAR-INIZCTEOSA-N 1 1 314.473 3.889 20 30 DHEDMO CC(C)(C)[C@@H]1CSCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC001175699070 1035070285 /nfs/dbraw/zinc/07/02/85/1035070285.db2.gz SEYICYXCNFTCDS-KRWDZBQOSA-N 1 1 318.486 3.791 20 30 DHEDMO Cc1ccc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)cc1C#N ZINC001175698214 1035070990 /nfs/dbraw/zinc/07/09/90/1035070990.db2.gz MKYBVVVXHBVHAD-IBGZPJMESA-N 1 1 312.457 3.895 20 30 DHEDMO CC(C)(C)[C@H]1CSCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC001175699071 1035071362 /nfs/dbraw/zinc/07/13/62/1035071362.db2.gz SEYICYXCNFTCDS-QGZVFWFLSA-N 1 1 318.486 3.791 20 30 DHEDMO CCc1cc(C#N)ccc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175859266 1035145554 /nfs/dbraw/zinc/14/55/54/1035145554.db2.gz DFFQCNNTLLDGDE-UHFFFAOYSA-N 1 1 321.424 3.696 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000482862749 1035189785 /nfs/dbraw/zinc/18/97/85/1035189785.db2.gz SWPGCIHDJSLZBJ-KGLIPLIRSA-N 1 1 304.459 3.634 20 30 DHEDMO N#Cc1c(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cn2ccccc12 ZINC000483106756 1035227485 /nfs/dbraw/zinc/22/74/85/1035227485.db2.gz UTOXKSSEZFWODK-INIZCTEOSA-N 1 1 319.383 3.940 20 30 DHEDMO CCC[N@@H+](Cc1cc(C#N)n(C)c1)[C@H]1CCc2ccccc2C1 ZINC000483268317 1035248903 /nfs/dbraw/zinc/24/89/03/1035248903.db2.gz OBTBZVBBNAXEIR-IBGZPJMESA-N 1 1 307.441 3.666 20 30 DHEDMO C=CCc1cc(C[N@H+](C)Cc2ccc(C)o2)cc(OC)c1O ZINC000160853125 1035256010 /nfs/dbraw/zinc/25/60/10/1035256010.db2.gz XSGSDRGHSXGIRK-UHFFFAOYSA-N 1 1 301.386 3.663 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)Cc2ccc(C)o2)cc(OC)c1O ZINC000160853125 1035256015 /nfs/dbraw/zinc/25/60/15/1035256015.db2.gz XSGSDRGHSXGIRK-UHFFFAOYSA-N 1 1 301.386 3.663 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC(C)=C(C)C1 ZINC000483368516 1035262693 /nfs/dbraw/zinc/26/26/93/1035262693.db2.gz CNZKLOFQIWOTDD-MRXNPFEDSA-N 1 1 318.486 3.693 20 30 DHEDMO C[N@H+](Cc1cnc(-c2ccccc2)o1)Cc1cc(C#N)cs1 ZINC001176568286 1035297960 /nfs/dbraw/zinc/29/79/60/1035297960.db2.gz TVTSKUFVXKKVCW-UHFFFAOYSA-N 1 1 309.394 3.907 20 30 DHEDMO C[N@@H+](Cc1cnc(-c2ccccc2)o1)Cc1cc(C#N)cs1 ZINC001176568286 1035297962 /nfs/dbraw/zinc/29/79/62/1035297962.db2.gz TVTSKUFVXKKVCW-UHFFFAOYSA-N 1 1 309.394 3.907 20 30 DHEDMO CCC[N@H+](CC#Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000484091343 1035318096 /nfs/dbraw/zinc/31/80/96/1035318096.db2.gz FCIKAENRBVUCQQ-GOSISDBHSA-N 1 1 320.436 3.777 20 30 DHEDMO CCC[N@@H+](CC#Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000484091343 1035318100 /nfs/dbraw/zinc/31/81/00/1035318100.db2.gz FCIKAENRBVUCQQ-GOSISDBHSA-N 1 1 320.436 3.777 20 30 DHEDMO N#Cc1csc(C[NH2+]Cc2ccccc2Br)c1 ZINC000093492580 1035330025 /nfs/dbraw/zinc/33/00/25/1035330025.db2.gz QJXQQJVLNMTTKJ-UHFFFAOYSA-N 1 1 307.216 3.672 20 30 DHEDMO C=CCCC[N@H+](CC)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC001176798483 1035333088 /nfs/dbraw/zinc/33/30/88/1035333088.db2.gz QIKRTURUNWPSAW-UHFFFAOYSA-N 1 1 307.344 3.803 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@H]2CCCO2)c1 ZINC001176926056 1035335609 /nfs/dbraw/zinc/33/56/09/1035335609.db2.gz GXJFCBXUMXQTES-DLBZAZTESA-N 1 1 304.821 3.745 20 30 DHEDMO C=CCC[N@H+]1C[C@@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001177022188 1035344100 /nfs/dbraw/zinc/34/41/00/1035344100.db2.gz MBHZMKHHVQKYNX-YJBOKZPZSA-N 1 1 308.466 3.579 20 30 DHEDMO C=CCC(C)(C)c1noc([C@@H]([NH3+])Cc2cc3ccccc3o2)n1 ZINC000904120906 1035367386 /nfs/dbraw/zinc/36/73/86/1035367386.db2.gz FQTREACLUFKXNS-AWEZNQCLSA-N 1 1 311.385 3.912 20 30 DHEDMO C=CCN(C(=O)[C@@H]1CCC[N@@H+]1Cc1ccco1)C1CCCCC1 ZINC001177618903 1035385208 /nfs/dbraw/zinc/38/52/08/1035385208.db2.gz KWKWIBQULFXHKQ-SFHVURJKSA-N 1 1 316.445 3.591 20 30 DHEDMO C=CCN(C(=O)[C@@H]1CCC[N@H+]1Cc1ccco1)C1CCCCC1 ZINC001177618903 1035385212 /nfs/dbraw/zinc/38/52/12/1035385212.db2.gz KWKWIBQULFXHKQ-SFHVURJKSA-N 1 1 316.445 3.591 20 30 DHEDMO C=CCOc1cccc(CNC[C@@H]2CCCC[N@H+]2CCCC)c1 ZINC001177743026 1035390141 /nfs/dbraw/zinc/39/01/41/1035390141.db2.gz KDBFEEKEOFYCFW-IBGZPJMESA-N 1 1 316.489 3.996 20 30 DHEDMO C=CCOc1cccc(CNC[C@@H]2CCCC[N@@H+]2CCCC)c1 ZINC001177743026 1035390145 /nfs/dbraw/zinc/39/01/45/1035390145.db2.gz KDBFEEKEOFYCFW-IBGZPJMESA-N 1 1 316.489 3.996 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H](C)c2cccc(OC)c2)no1 ZINC000904581759 1035427052 /nfs/dbraw/zinc/42/70/52/1035427052.db2.gz HFZKPAQLGNIWKP-SWLSCSKDSA-N 1 1 301.390 3.586 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(COCC)cc2)no1 ZINC000904564151 1035429198 /nfs/dbraw/zinc/42/91/98/1035429198.db2.gz OLHAHQHTVRTPMN-OAHLLOKOSA-N 1 1 301.390 3.629 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2ccc(OC(C)C)cc2)no1 ZINC000904570333 1035430321 /nfs/dbraw/zinc/43/03/21/1035430321.db2.gz WLUYZKFPGFUFPP-INIZCTEOSA-N 1 1 315.417 3.804 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H](OC)c2cccc(Cl)c2)no1 ZINC000904618680 1035432482 /nfs/dbraw/zinc/43/24/82/1035432482.db2.gz WBFOQRYKHJNUML-KGLIPLIRSA-N 1 1 321.808 3.815 20 30 DHEDMO CN(C)c1ccc(C#N)cc1CNc1ccc(C2CCC2)c[nH+]1 ZINC001178831077 1035450885 /nfs/dbraw/zinc/45/08/85/1035450885.db2.gz GUCKIDZUCFQVRX-UHFFFAOYSA-N 1 1 306.413 3.899 20 30 DHEDMO C=CC[N@H+](CCc1ccc(OC)c(OC)c1)Cc1ccsc1 ZINC000494543277 1035540043 /nfs/dbraw/zinc/54/00/43/1035540043.db2.gz QTEXBEHSCMXSJM-UHFFFAOYSA-N 1 1 317.454 3.996 20 30 DHEDMO CCOc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC001180132810 1035595705 /nfs/dbraw/zinc/59/57/05/1035595705.db2.gz MWSABJJBLROOQX-UHFFFAOYSA-N 1 1 308.381 3.839 20 30 DHEDMO CCOc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC001180132810 1035595706 /nfs/dbraw/zinc/59/57/06/1035595706.db2.gz MWSABJJBLROOQX-UHFFFAOYSA-N 1 1 308.381 3.839 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC000668492447 1035663940 /nfs/dbraw/zinc/66/39/40/1035663940.db2.gz AUVMCAAQBVRZRU-AWEZNQCLSA-N 1 1 305.418 3.501 20 30 DHEDMO C[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000191380630 1035689628 /nfs/dbraw/zinc/68/96/28/1035689628.db2.gz VZFQTHFDEYVFSJ-GOSISDBHSA-N 1 1 320.436 3.607 20 30 DHEDMO C[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1 ZINC000191380630 1035689632 /nfs/dbraw/zinc/68/96/32/1035689632.db2.gz VZFQTHFDEYVFSJ-GOSISDBHSA-N 1 1 320.436 3.607 20 30 DHEDMO C[C@@H]([NH2+]CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000539498740 1035757779 /nfs/dbraw/zinc/75/77/79/1035757779.db2.gz WCSDZSQNMCJLNQ-BRWVUGGUSA-N 1 1 313.489 3.965 20 30 DHEDMO C=CC[N@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000494672653 1035767720 /nfs/dbraw/zinc/76/77/20/1035767720.db2.gz MOFBIYSLCKOUMP-UHFFFAOYSA-N 1 1 322.408 3.764 20 30 DHEDMO C=C(C)C[N@H+](CCCS(=O)(=O)C(C)(C)C)Cc1ccccc1 ZINC001194052093 1035815429 /nfs/dbraw/zinc/81/54/29/1035815429.db2.gz OAXROWNDGZAPLD-UHFFFAOYSA-N 1 1 323.502 3.668 20 30 DHEDMO C=C(C)C[N@@H+](CCCS(=O)(=O)C(C)(C)C)Cc1ccccc1 ZINC001194052093 1035815436 /nfs/dbraw/zinc/81/54/36/1035815436.db2.gz OAXROWNDGZAPLD-UHFFFAOYSA-N 1 1 323.502 3.668 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000539669510 1035822888 /nfs/dbraw/zinc/82/28/88/1035822888.db2.gz UQJKHLOPGYNPNC-SFHVURJKSA-N 1 1 301.430 3.642 20 30 DHEDMO CCCCCCC[C@@H](C)C(=O)NCc1[nH+]cn2ccccc12 ZINC001181132713 1035843945 /nfs/dbraw/zinc/84/39/45/1035843945.db2.gz HNAUXHPVMVIYKH-OAHLLOKOSA-N 1 1 301.434 3.947 20 30 DHEDMO C#CC[N@H+](CCOc1ccc(SC)cc1)Cc1ccccc1 ZINC001194164671 1035853802 /nfs/dbraw/zinc/85/38/02/1035853802.db2.gz LBGMNUIVMBXILJ-UHFFFAOYSA-N 1 1 311.450 3.923 20 30 DHEDMO C=CCOc1cccc(CN(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000539838069 1035877782 /nfs/dbraw/zinc/87/77/82/1035877782.db2.gz GFIDHQVTMJAALT-SJLPKXTDSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1cccc(C[N@@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)c1 ZINC000539838069 1035877856 /nfs/dbraw/zinc/87/78/56/1035877856.db2.gz GFIDHQVTMJAALT-SJLPKXTDSA-N 1 1 302.462 3.556 20 30 DHEDMO C=CCOc1cccc(C[N@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)c1 ZINC000539838069 1035877865 /nfs/dbraw/zinc/87/78/65/1035877865.db2.gz GFIDHQVTMJAALT-SJLPKXTDSA-N 1 1 302.462 3.556 20 30 DHEDMO C#CCCCCCC[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC001194279976 1035884794 /nfs/dbraw/zinc/88/47/94/1035884794.db2.gz NTDHUFDXXTWRFP-UHFFFAOYSA-N 1 1 311.429 3.795 20 30 DHEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000539826960 1035886290 /nfs/dbraw/zinc/88/62/90/1035886290.db2.gz MPYUUBBMBKCHFA-DOTOQJQBSA-N 1 1 316.445 3.998 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001194270526 1035896385 /nfs/dbraw/zinc/89/63/85/1035896385.db2.gz YOIDNMPTZKNPNH-FHWLQOOXSA-N 1 1 317.477 3.800 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485800313 1035973754 /nfs/dbraw/zinc/97/37/54/1035973754.db2.gz LPCKBZWDEITBKW-UHFFFAOYSA-N 1 1 312.369 3.792 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485800313 1035973759 /nfs/dbraw/zinc/97/37/59/1035973759.db2.gz LPCKBZWDEITBKW-UHFFFAOYSA-N 1 1 312.369 3.792 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@@H+](CCO)CC1CCCCC1 ZINC000485859862 1036009545 /nfs/dbraw/zinc/00/95/45/1036009545.db2.gz RPVNYNKWQGUGMG-UHFFFAOYSA-N 1 1 314.473 3.862 20 30 DHEDMO C[C@@H](C[N@@H+](C)CCC1(C#N)CCCCC1)C(=O)OC(C)(C)C ZINC001194965303 1036090340 /nfs/dbraw/zinc/09/03/40/1036090340.db2.gz UULVWJGMEIHFRC-HNNXBMFYSA-N 1 1 308.466 3.760 20 30 DHEDMO Cc1[nH+]cn(-c2ccc(NCC#Cc3ccccc3)cc2)c1C ZINC001182109359 1036097087 /nfs/dbraw/zinc/09/70/87/1036097087.db2.gz MOOMFSOSBXORBO-UHFFFAOYSA-N 1 1 301.393 3.953 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(C)c(C)c1 ZINC000491299317 1036142284 /nfs/dbraw/zinc/14/22/84/1036142284.db2.gz ZMFJELUVMQZDNE-UHFFFAOYSA-N 1 1 312.413 3.566 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(C)c(C)c1 ZINC000491299317 1036142297 /nfs/dbraw/zinc/14/22/97/1036142297.db2.gz ZMFJELUVMQZDNE-UHFFFAOYSA-N 1 1 312.413 3.566 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](CCF)C2)cc1OC ZINC000668591758 1036151294 /nfs/dbraw/zinc/15/12/94/1036151294.db2.gz BYYSXFGUTJSLJI-HNNXBMFYSA-N 1 1 307.409 3.832 20 30 DHEDMO CC[N@@H+](CCOc1ccccc1C)Cc1ccc(CC#N)cc1 ZINC001195323304 1036204355 /nfs/dbraw/zinc/20/43/55/1036204355.db2.gz JOIPXFNAGDBASU-UHFFFAOYSA-N 1 1 308.425 3.962 20 30 DHEDMO CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541025552 1036216967 /nfs/dbraw/zinc/21/69/67/1036216967.db2.gz YFHVJAMLXANYCK-UHFFFAOYSA-N 1 1 313.445 3.548 20 30 DHEDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1ccc(CC#N)cc1 ZINC000541274617 1036281415 /nfs/dbraw/zinc/28/14/15/1036281415.db2.gz ODVOLOJLNNZJBP-UHFFFAOYSA-N 1 1 312.388 3.793 20 30 DHEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784512916 1036292026 /nfs/dbraw/zinc/29/20/26/1036292026.db2.gz WAEDSQNPMUCEDT-JYJNAYRXSA-N 1 1 308.466 3.578 20 30 DHEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784512917 1036293698 /nfs/dbraw/zinc/29/36/98/1036293698.db2.gz WAEDSQNPMUCEDT-XHSDSOJGSA-N 1 1 308.466 3.578 20 30 DHEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)Cc2ccccc21 ZINC000914787650 1036336347 /nfs/dbraw/zinc/33/63/47/1036336347.db2.gz AVVSWCYNCGHCKZ-HNNXBMFYSA-N 1 1 319.408 3.506 20 30 DHEDMO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000613254662 1036348878 /nfs/dbraw/zinc/34/88/78/1036348878.db2.gz QACXFZYNWLIZJX-QYZOEREBSA-N 1 1 303.494 3.703 20 30 DHEDMO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN2CC2CCCCC2)C1 ZINC000613254662 1036348894 /nfs/dbraw/zinc/34/88/94/1036348894.db2.gz QACXFZYNWLIZJX-QYZOEREBSA-N 1 1 303.494 3.703 20 30 DHEDMO N#C[C@@H]1CCC[C@H](NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000613254662 1036348904 /nfs/dbraw/zinc/34/89/04/1036348904.db2.gz QACXFZYNWLIZJX-QYZOEREBSA-N 1 1 303.494 3.703 20 30 DHEDMO N#C[C@@H]1CCC[C@H](NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000613254662 1036348918 /nfs/dbraw/zinc/34/89/18/1036348918.db2.gz QACXFZYNWLIZJX-QYZOEREBSA-N 1 1 303.494 3.703 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC001182508031 1036369353 /nfs/dbraw/zinc/36/93/53/1036369353.db2.gz IPXSCFKJHFMKLL-JKSUJKDBSA-N 1 1 308.466 3.903 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC001182508026 1036370165 /nfs/dbraw/zinc/37/01/65/1036370165.db2.gz IPXSCFKJHFMKLL-CVEARBPZSA-N 1 1 308.466 3.903 20 30 DHEDMO C=CCC(CC=C)c1nc(-c2ccc(-n3cc[nH+]c3C)nc2)no1 ZINC000761919912 1036400578 /nfs/dbraw/zinc/40/05/78/1036400578.db2.gz XPFGEFWADIYXOE-UHFFFAOYSA-N 1 1 321.384 3.862 20 30 DHEDMO C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc(C#N)cc1F ZINC000541904648 1036455994 /nfs/dbraw/zinc/45/59/94/1036455994.db2.gz NPSIRWWFJZGTSG-DJJJIMSYSA-N 1 1 309.388 3.535 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C)C[C@H](C)C2)c(C#N)c1C ZINC000443660498 1036489384 /nfs/dbraw/zinc/48/93/84/1036489384.db2.gz SBIQIKOVTQRAID-NEPJUHHUSA-N 1 1 319.474 3.543 20 30 DHEDMO C=CCCC[N@@H+]1CCc2ccccc2[C@@H]1C(=O)OC(C)(C)C ZINC001196301664 1036499824 /nfs/dbraw/zinc/49/98/24/1036499824.db2.gz BWUPHLBEZSESBU-QGZVFWFLSA-N 1 1 301.430 3.894 20 30 DHEDMO C=CCCC[N@H+]1CCc2ccccc2[C@@H]1C(=O)OC(C)(C)C ZINC001196301664 1036499834 /nfs/dbraw/zinc/49/98/34/1036499834.db2.gz BWUPHLBEZSESBU-QGZVFWFLSA-N 1 1 301.430 3.894 20 30 DHEDMO N#Cc1c(F)cccc1C[NH+]1CCC2(CCSCC2)CC1 ZINC001183196957 1036541217 /nfs/dbraw/zinc/54/12/17/1036541217.db2.gz LEVYCHJTEXCACJ-UHFFFAOYSA-N 1 1 304.434 3.807 20 30 DHEDMO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)CC1CCC(C#N)CC1 ZINC000929748968 1036587562 /nfs/dbraw/zinc/58/75/62/1036587562.db2.gz LWUWUALCCKZPDG-TVPLGVNVSA-N 1 1 300.446 3.680 20 30 DHEDMO C=C(C)CC[N@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001196935450 1036650466 /nfs/dbraw/zinc/65/04/66/1036650466.db2.gz JFGXBXROKYHEHQ-CQSZACIVSA-N 1 1 318.244 3.631 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c1F ZINC000774663691 1036652380 /nfs/dbraw/zinc/65/23/80/1036652380.db2.gz OVVBRBKBGOBWHF-AZUAARDMSA-N 1 1 324.399 3.785 20 30 DHEDMO Cc1ccc2c(C)cc(NCCNc3ccc(C#N)cn3)[nH+]c2c1 ZINC000915213623 1036700740 /nfs/dbraw/zinc/70/07/40/1036700740.db2.gz KDSZRPWKOMKOBC-UHFFFAOYSA-N 1 1 317.396 3.642 20 30 DHEDMO C=C(C)[C@@H](CO)[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000669943202 1036726996 /nfs/dbraw/zinc/72/69/96/1036726996.db2.gz MWJDWBHJTAZSJQ-HUUCEWRRSA-N 1 1 317.326 3.513 20 30 DHEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000669943202 1036727010 /nfs/dbraw/zinc/72/70/10/1036727010.db2.gz MWJDWBHJTAZSJQ-HUUCEWRRSA-N 1 1 317.326 3.513 20 30 DHEDMO C[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)[N@H+]1CCCC[C@H]1C ZINC000915271130 1036752751 /nfs/dbraw/zinc/75/27/51/1036752751.db2.gz LBCLZQLDPBXZOL-KOEWNKMCSA-N 1 1 311.429 3.622 20 30 DHEDMO CC(C)(C)OC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC001197629671 1036837399 /nfs/dbraw/zinc/83/73/99/1036837399.db2.gz HYMOUWOLHSNZIW-OAHLLOKOSA-N 1 1 306.837 3.991 20 30 DHEDMO C=CCCCCC[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000488187149 1036896713 /nfs/dbraw/zinc/89/67/13/1036896713.db2.gz TXEVVWXUUGMSJI-QGZVFWFLSA-N 1 1 315.461 3.787 20 30 DHEDMO CCCCCCCCNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000754865465 1036899050 /nfs/dbraw/zinc/89/90/50/1036899050.db2.gz OFKILRVOBVRUSI-KRWDZBQOSA-N 1 1 311.514 3.767 20 30 DHEDMO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001184793292 1036957101 /nfs/dbraw/zinc/95/71/01/1036957101.db2.gz CDMKNFUXYSZTRD-LDLYASANSA-N 1 1 324.468 3.655 20 30 DHEDMO COc1ncc(C[N@@H+](C)Cc2cc(C#N)cs2)c2ccccc12 ZINC001198202940 1036969579 /nfs/dbraw/zinc/96/95/79/1036969579.db2.gz TWWGEBOGBXKTAY-UHFFFAOYSA-N 1 1 323.421 3.809 20 30 DHEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cc2ccccc2[nH]c1=O ZINC001198195022 1036975093 /nfs/dbraw/zinc/97/50/93/1036975093.db2.gz PQHUPHIMGMBKCG-UHFFFAOYSA-N 1 1 309.394 3.506 20 30 DHEDMO C=CCC[N@@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001198407730 1037014108 /nfs/dbraw/zinc/01/41/08/1037014108.db2.gz ZYNJRCBHWAGBJG-UHFFFAOYSA-N 1 1 302.418 3.968 20 30 DHEDMO CC(C)[N@H+]1CCC[C@@H](CNc2ncc(C#N)c3ccsc32)C1 ZINC001185089009 1037021025 /nfs/dbraw/zinc/02/10/25/1037021025.db2.gz RVYXQAAMTHSWIB-ZDUSSCGKSA-N 1 1 314.458 3.700 20 30 DHEDMO C=CC[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000774838087 1037058415 /nfs/dbraw/zinc/05/84/15/1037058415.db2.gz HVGFRLIPDUBPLQ-UHFFFAOYSA-N 1 1 304.434 3.589 20 30 DHEDMO C=C(Br)C[NH+]1CCC(c2ccc(N(C)C)cc2)CC1 ZINC000775879835 1037079297 /nfs/dbraw/zinc/07/92/97/1037079297.db2.gz FAHDUQOVCWSJSY-UHFFFAOYSA-N 1 1 323.278 3.841 20 30 DHEDMO C=C(C)C[N@H+]1C[C@@H]2CCCC[C@@]2(CNC(=O)OC(C)(C)C)C1 ZINC001198838429 1037152433 /nfs/dbraw/zinc/15/24/33/1037152433.db2.gz YLSRGVUOWJJDMU-MAUKXSAKSA-N 1 1 308.466 3.579 20 30 DHEDMO c1ccc(C[N@H+]2C[C@@H]3CCCC(=NNC4CCCC4)[C@@H]3C2)cc1 ZINC000781122323 1037230033 /nfs/dbraw/zinc/23/00/33/1037230033.db2.gz MRPHFNWJCXGUBX-PKOBYXMFSA-N 1 1 311.473 3.807 20 30 DHEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000122743792 1037240112 /nfs/dbraw/zinc/24/01/12/1037240112.db2.gz UMVJVLAJPPIYSI-OAHLLOKOSA-N 1 1 312.438 3.835 20 30 DHEDMO Cc1cc([C@@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)c(O)cc1Cl ZINC000597223662 1037244879 /nfs/dbraw/zinc/24/48/79/1037244879.db2.gz SQHZOEDDNHJNIW-GFCCVEGCSA-N 1 1 316.788 3.808 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000489458785 1037440036 /nfs/dbraw/zinc/44/00/36/1037440036.db2.gz FFHRLXOAFQWAAL-HNNXBMFYSA-N 1 1 313.401 3.676 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000489458785 1037440045 /nfs/dbraw/zinc/44/00/45/1037440045.db2.gz FFHRLXOAFQWAAL-HNNXBMFYSA-N 1 1 313.401 3.676 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000489489441 1037461850 /nfs/dbraw/zinc/46/18/50/1037461850.db2.gz ZJQOPWMWPXZRLW-ZBFHGGJFSA-N 1 1 318.486 3.624 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000489489441 1037461857 /nfs/dbraw/zinc/46/18/57/1037461857.db2.gz ZJQOPWMWPXZRLW-ZBFHGGJFSA-N 1 1 318.486 3.624 20 30 DHEDMO C[N@H+](CCOc1cccc(Cl)c1)Cc1ccc(F)cc1C#N ZINC000489608658 1037496634 /nfs/dbraw/zinc/49/66/34/1037496634.db2.gz XJEQUZBRIFFPQS-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[N@@H+](CCOc1cccc(Cl)c1)Cc1ccc(F)cc1C#N ZINC000489608658 1037496649 /nfs/dbraw/zinc/49/66/49/1037496649.db2.gz XJEQUZBRIFFPQS-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC000489608191 1037496843 /nfs/dbraw/zinc/49/68/43/1037496843.db2.gz WXWSBYDXVVFOHI-UHFFFAOYSA-N 1 1 312.388 3.771 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H](C3CC3)C2)c1O ZINC000763334355 1037592025 /nfs/dbraw/zinc/59/20/25/1037592025.db2.gz WDSMBYIEWPNDSN-MRXNPFEDSA-N 1 1 301.430 3.751 20 30 DHEDMO CC(C)C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000031582106 1037592841 /nfs/dbraw/zinc/59/28/41/1037592841.db2.gz LQGHLMWVVQQHNB-UHFFFAOYSA-N 1 1 307.825 3.517 20 30 DHEDMO C[C@H](NCC[N@@H+](C)C1CCCCC1)c1ccc(OCC#N)cc1 ZINC000776160621 1037617217 /nfs/dbraw/zinc/61/72/17/1037617217.db2.gz PQJINCRCGFBFJT-INIZCTEOSA-N 1 1 315.461 3.504 20 30 DHEDMO C[C@H]([NH2+]CCN(C)C1CCCCC1)c1ccc(OCC#N)cc1 ZINC000776160621 1037617225 /nfs/dbraw/zinc/61/72/25/1037617225.db2.gz PQJINCRCGFBFJT-INIZCTEOSA-N 1 1 315.461 3.504 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@H+](C[C@H](C)CCC=C(C)C)C2)C1=O ZINC001201488012 1037707424 /nfs/dbraw/zinc/70/74/24/1037707424.db2.gz WRUUZLJWKONPBS-UYAOXDASSA-N 1 1 318.505 3.869 20 30 DHEDMO Cc1cc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)ccc1C#N ZINC000488101194 1037713832 /nfs/dbraw/zinc/71/38/32/1037713832.db2.gz HRIIPNZQPADQIR-OAQYLSRUSA-N 1 1 318.420 3.541 20 30 DHEDMO Cc1cc(C)cc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000916346750 1037742949 /nfs/dbraw/zinc/74/29/49/1037742949.db2.gz SDRARHTYOASIPT-UHFFFAOYSA-N 1 1 309.413 3.586 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000185300697 1037792733 /nfs/dbraw/zinc/79/27/33/1037792733.db2.gz PSIYNDRXHKYRPP-LPHOPBHVSA-N 1 1 314.473 3.616 20 30 DHEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001201606114 1037805700 /nfs/dbraw/zinc/80/57/00/1037805700.db2.gz JKCHMUWCMOBKQO-LJQANCHMSA-N 1 1 306.409 3.644 20 30 DHEDMO CC(C)C[C@H]1CCCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763410402 1037829252 /nfs/dbraw/zinc/82/92/52/1037829252.db2.gz KTQGQBNYMDUSER-RTBURBONSA-N 1 1 300.446 3.882 20 30 DHEDMO N#Cc1cc(C(F)(F)F)ccc1Nc1c[nH+]c2ccccn12 ZINC001201691967 1037863770 /nfs/dbraw/zinc/86/37/70/1037863770.db2.gz XNAZYDXYOSIOMF-UHFFFAOYSA-N 1 1 302.259 3.968 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2nn(CC3CC3)cc2[C@H](COC)C1 ZINC001201762864 1037884958 /nfs/dbraw/zinc/88/49/58/1037884958.db2.gz YACWNPFARADDDK-KRWDZBQOSA-N 1 1 319.493 3.809 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2ncn(C)c2[C@@H](COCC(C)C)C1 ZINC001201762817 1037886259 /nfs/dbraw/zinc/88/62/59/1037886259.db2.gz WIILWUYIQRGEAM-QGZVFWFLSA-N 1 1 321.509 3.962 20 30 DHEDMO CCCCCCCC[N@H+]1CCCN(Cc2ccncc2)CC1 ZINC001201804175 1037897881 /nfs/dbraw/zinc/89/78/81/1037897881.db2.gz FEFQUTUEXCJQIX-UHFFFAOYSA-N 1 1 303.494 3.950 20 30 DHEDMO CCCCCCCC[N@@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001201813012 1037899833 /nfs/dbraw/zinc/89/98/33/1037899833.db2.gz AJQUYDZFNHGMGE-CALCHBBNSA-N 1 1 318.461 3.644 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186451105 1037903665 /nfs/dbraw/zinc/90/36/65/1037903665.db2.gz CFPGGWKVUAIPJS-NRFANRHFSA-N 1 1 321.420 3.883 20 30 DHEDMO CCCCCCC[N@H+]1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001201777223 1037903945 /nfs/dbraw/zinc/90/39/45/1037903945.db2.gz UAJHYMJPEQQBRL-OSYLJGHBSA-N 1 1 306.494 3.584 20 30 DHEDMO CCCCCCC[N@H+]1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 ZINC001201776977 1037904937 /nfs/dbraw/zinc/90/49/37/1037904937.db2.gz QSWYDMDXLWMELE-AZUAARDMSA-N 1 1 314.473 3.563 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186451081 1037904864 /nfs/dbraw/zinc/90/48/64/1037904864.db2.gz CFPGGWKVUAIPJS-OAQYLSRUSA-N 1 1 321.420 3.883 20 30 DHEDMO CCCCCCCC[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001201825654 1037912716 /nfs/dbraw/zinc/91/27/16/1037912716.db2.gz BQEQRDVBISHDCB-UHFFFAOYSA-N 1 1 310.526 3.922 20 30 DHEDMO CCCCCCCCN1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001201825654 1037912733 /nfs/dbraw/zinc/91/27/33/1037912733.db2.gz BQEQRDVBISHDCB-UHFFFAOYSA-N 1 1 310.526 3.922 20 30 DHEDMO CCCCCCCCN1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001201825654 1037912744 /nfs/dbraw/zinc/91/27/44/1037912744.db2.gz BQEQRDVBISHDCB-UHFFFAOYSA-N 1 1 310.526 3.922 20 30 DHEDMO C#C[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000775184690 1037951866 /nfs/dbraw/zinc/95/18/66/1037951866.db2.gz XSETUCZMIBFIND-HNNXBMFYSA-N 1 1 309.409 3.824 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000187461374 1037973105 /nfs/dbraw/zinc/97/31/05/1037973105.db2.gz FPCMMJSSRVMJFU-UHFFFAOYSA-N 1 1 300.377 3.808 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000497144541 1037976890 /nfs/dbraw/zinc/97/68/90/1037976890.db2.gz KNLMWTSJJBWRRC-MRXNPFEDSA-N 1 1 309.837 3.906 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1O ZINC000163970567 1038030565 /nfs/dbraw/zinc/03/05/65/1038030565.db2.gz RWNZGEIBRNXRRE-UHFFFAOYSA-N 1 1 322.408 3.633 20 30 DHEDMO C#CC[C@@H]([NH2+]Cc1ncccc1C(F)(F)F)c1ccccc1 ZINC000776252345 1038071660 /nfs/dbraw/zinc/07/16/60/1038071660.db2.gz LZDZMRZWNODQDB-OAHLLOKOSA-N 1 1 304.315 3.955 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(Cc1ccccc1)C(C)(C)C)C(C)C ZINC000917069132 1038166776 /nfs/dbraw/zinc/16/67/76/1038166776.db2.gz JAYJVEIHUYTSLJ-UHFFFAOYSA-N 1 1 302.462 3.710 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)C(C)C ZINC000917068807 1038167281 /nfs/dbraw/zinc/16/72/81/1038167281.db2.gz CPEOOHIXFOSHGD-UHFFFAOYSA-N 1 1 300.324 3.540 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)C(C)C ZINC000917068807 1038167287 /nfs/dbraw/zinc/16/72/87/1038167287.db2.gz CPEOOHIXFOSHGD-UHFFFAOYSA-N 1 1 300.324 3.540 20 30 DHEDMO C=CC[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C(C)C ZINC000917069495 1038167370 /nfs/dbraw/zinc/16/73/70/1038167370.db2.gz PXVRJRVQBLQCBI-CYBMUJFWSA-N 1 1 318.244 3.630 20 30 DHEDMO CC(C)(C#N)CC[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000571532088 1038167912 /nfs/dbraw/zinc/16/79/12/1038167912.db2.gz TWKRLBPPQVFOPC-LBPRGKRZSA-N 1 1 301.217 3.556 20 30 DHEDMO C#CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc21 ZINC000917118169 1038220955 /nfs/dbraw/zinc/22/09/55/1038220955.db2.gz YJNNQLZMNLNVRV-HXUWFJFHSA-N 1 1 320.392 3.760 20 30 DHEDMO C=CCCC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000588085916 1038229453 /nfs/dbraw/zinc/22/94/53/1038229453.db2.gz MNDLHFWLJHVVMW-CALCHBBNSA-N 1 1 314.473 3.747 20 30 DHEDMO Cn1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000571916150 1038263050 /nfs/dbraw/zinc/26/30/50/1038263050.db2.gz UCUPONWSOIMAKU-LPHOPBHVSA-N 1 1 320.440 3.723 20 30 DHEDMO CC[C@@](C)([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccccc1 ZINC000775385824 1038312810 /nfs/dbraw/zinc/31/28/10/1038312810.db2.gz AEGFHBMGFIZZKF-HXUWFJFHSA-N 1 1 322.408 3.760 20 30 DHEDMO C#CC[N@@H+](C[C@H]1CCC2(CCC2)CO1)[C@@H]1CCc2ccccc21 ZINC001190526460 1038333948 /nfs/dbraw/zinc/33/39/48/1038333948.db2.gz AFCDRJOFCXOFLW-UYAOXDASSA-N 1 1 309.453 3.958 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001190708933 1038366003 /nfs/dbraw/zinc/36/60/03/1038366003.db2.gz ZEHHUGDYBQDTRO-UHFFFAOYSA-N 1 1 321.380 3.697 20 30 DHEDMO C[N@H+](C/C=C/c1ccccc1)CCOCc1ccc(C#N)cc1 ZINC000588978992 1038415190 /nfs/dbraw/zinc/41/51/90/1038415190.db2.gz MCGWEQHIIDHWCY-VMPITWQZSA-N 1 1 306.409 3.720 20 30 DHEDMO CCCCCCCNC(=O)N1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC001191096948 1038436979 /nfs/dbraw/zinc/43/69/79/1038436979.db2.gz DOGOXUSARKONIV-SFHVURJKSA-N 1 1 317.477 3.655 20 30 DHEDMO CCCCCCCNC(=O)N1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC001191096948 1038436986 /nfs/dbraw/zinc/43/69/86/1038436986.db2.gz DOGOXUSARKONIV-SFHVURJKSA-N 1 1 317.477 3.655 20 30 DHEDMO Cn1cc(C[N@@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)cc1C#N ZINC000589205880 1038448937 /nfs/dbraw/zinc/44/89/37/1038448937.db2.gz UCXIPBBRQYZCEU-MOPGFXCFSA-N 1 1 323.440 3.575 20 30 DHEDMO C=CCOc1ccc(CNC[C@@H](CC(C)C)[NH+](C)C)cc1Cl ZINC000589640327 1038525321 /nfs/dbraw/zinc/52/53/21/1038525321.db2.gz NMKKCGDGJFQONL-MRXNPFEDSA-N 1 1 324.896 3.971 20 30 DHEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCc1ccc(C#N)cc1 ZINC001191743955 1038541764 /nfs/dbraw/zinc/54/17/64/1038541764.db2.gz XJXSBRNGWRHNFE-QZTJIDSGSA-N 1 1 300.446 3.626 20 30 DHEDMO CC[N@H+]1CCN(Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1C ZINC001192271848 1038617697 /nfs/dbraw/zinc/61/76/97/1038617697.db2.gz LIXFFXOGHIHEJW-QGZVFWFLSA-N 1 1 319.452 3.751 20 30 DHEDMO CCN1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1C ZINC001192271848 1038617704 /nfs/dbraw/zinc/61/77/04/1038617704.db2.gz LIXFFXOGHIHEJW-QGZVFWFLSA-N 1 1 319.452 3.751 20 30 DHEDMO CCN1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1C ZINC001192271848 1038617707 /nfs/dbraw/zinc/61/77/07/1038617707.db2.gz LIXFFXOGHIHEJW-QGZVFWFLSA-N 1 1 319.452 3.751 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000590600128 1038675345 /nfs/dbraw/zinc/67/53/45/1038675345.db2.gz KRKDETAGVDZATJ-KRWDZBQOSA-N 1 1 305.425 3.872 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001192653152 1038686653 /nfs/dbraw/zinc/68/66/53/1038686653.db2.gz MJNAPTNXSXJTCG-GJZGRUSLSA-N 1 1 317.351 3.810 20 30 DHEDMO CC[NH+](CC)[C@@H](CNCc1cccc(C#N)c1)c1ccccc1 ZINC000057597181 1038687112 /nfs/dbraw/zinc/68/71/12/1038687112.db2.gz BPDBCKTXPJRODT-FQEVSTJZSA-N 1 1 307.441 3.731 20 30 DHEDMO CN(C(=O)C[N@H+](C)CCC1(C#N)CCCCC1)C1CCCCC1 ZINC000591011268 1038744266 /nfs/dbraw/zinc/74/42/66/1038744266.db2.gz HIHMONPAMJXMNT-UHFFFAOYSA-N 1 1 319.493 3.573 20 30 DHEDMO CN(C(=O)C[N@@H+](C)CCC1(C#N)CCCCC1)C1CCCCC1 ZINC000591011268 1038744270 /nfs/dbraw/zinc/74/42/70/1038744270.db2.gz HIHMONPAMJXMNT-UHFFFAOYSA-N 1 1 319.493 3.573 20 30 DHEDMO C#CCC[N@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000760831615 1038877098 /nfs/dbraw/zinc/87/70/98/1038877098.db2.gz BEKJRYNEJWJDQR-ZDUSSCGKSA-N 1 1 310.260 3.941 20 30 DHEDMO C[C@H](N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccc(C#N)c1 ZINC000591571025 1038937357 /nfs/dbraw/zinc/93/73/57/1038937357.db2.gz WGUBYYWATICDBN-CWFSZBLJSA-N 1 1 305.425 3.702 20 30 DHEDMO N#Cc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000591573420 1038937367 /nfs/dbraw/zinc/93/73/67/1038937367.db2.gz UKKXBHMARVZFIK-RYQLBKOJSA-N 1 1 317.864 3.612 20 30 DHEDMO C#CCC[N@H+](Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000760852690 1038947958 /nfs/dbraw/zinc/94/79/58/1038947958.db2.gz VCXYYNHKFXEPQD-UHFFFAOYSA-N 1 1 301.430 3.862 20 30 DHEDMO C[N@H+]1CC[C@H](Nc2cccc(OCCCC#N)c2)CC1(C)C ZINC000599039433 1039012229 /nfs/dbraw/zinc/01/22/29/1039012229.db2.gz ZBZKDNDXUIVJHS-INIZCTEOSA-N 1 1 301.434 3.654 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000591856334 1039035636 /nfs/dbraw/zinc/03/56/36/1039035636.db2.gz WTLHYKIUYRVEIY-LJQANCHMSA-N 1 1 310.441 3.648 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(Br)c(CC)s2)C1 ZINC001232288767 1039059668 /nfs/dbraw/zinc/05/96/68/1039059668.db2.gz JLKBYBNNKZZZDF-NSHDSACASA-N 1 1 312.276 3.918 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Br)c(CC)s2)C1 ZINC001232288767 1039059683 /nfs/dbraw/zinc/05/96/83/1039059683.db2.gz JLKBYBNNKZZZDF-NSHDSACASA-N 1 1 312.276 3.918 20 30 DHEDMO Cc1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1C#N ZINC000599270195 1039110142 /nfs/dbraw/zinc/11/01/42/1039110142.db2.gz CFGBZAOCAKMIEC-IBGZPJMESA-N 1 1 310.397 3.641 20 30 DHEDMO Cc1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1C#N ZINC000599270195 1039110151 /nfs/dbraw/zinc/11/01/51/1039110151.db2.gz CFGBZAOCAKMIEC-IBGZPJMESA-N 1 1 310.397 3.641 20 30 DHEDMO CCCC[C@H]([NH2+]Cc1ccncc1C#N)c1ccc(OC)cc1 ZINC000592092137 1039118718 /nfs/dbraw/zinc/11/87/18/1039118718.db2.gz FJKMAFRGXQJAGB-IBGZPJMESA-N 1 1 309.413 3.983 20 30 DHEDMO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccncc1C#N ZINC000592096675 1039121003 /nfs/dbraw/zinc/12/10/03/1039121003.db2.gz AWNGCFDAURDQJE-GOSISDBHSA-N 1 1 309.413 3.839 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000592087379 1039121197 /nfs/dbraw/zinc/12/11/97/1039121197.db2.gz VBIQGCSEDRBQPY-HXUWFJFHSA-N 1 1 305.425 3.941 20 30 DHEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2ccncc2C#N)CC1 ZINC000592121154 1039122893 /nfs/dbraw/zinc/12/28/93/1039122893.db2.gz FWUUEHQPXXQDGS-HXUWFJFHSA-N 1 1 305.425 3.897 20 30 DHEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1Cc1ccncc1C#N ZINC000592123254 1039123258 /nfs/dbraw/zinc/12/32/58/1039123258.db2.gz RIVVCYAVWFOSHW-BEFAXECRSA-N 1 1 321.424 3.935 20 30 DHEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cc1ccncc1C#N ZINC000592123254 1039123263 /nfs/dbraw/zinc/12/32/63/1039123263.db2.gz RIVVCYAVWFOSHW-BEFAXECRSA-N 1 1 321.424 3.935 20 30 DHEDMO C[C@@H]1CC2(C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1)CCOCC2 ZINC000592182457 1039129363 /nfs/dbraw/zinc/12/93/63/1039129363.db2.gz ASXURGSQRNOYQQ-MRXNPFEDSA-N 1 1 312.457 3.879 20 30 DHEDMO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C#N ZINC000599359250 1039139187 /nfs/dbraw/zinc/13/91/87/1039139187.db2.gz MGIMDQXAHFXTAU-SJLPKXTDSA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1ccc(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1C#N ZINC000599359250 1039139195 /nfs/dbraw/zinc/13/91/95/1039139195.db2.gz MGIMDQXAHFXTAU-SJLPKXTDSA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1ccc(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C#N ZINC000599359250 1039139200 /nfs/dbraw/zinc/13/92/00/1039139200.db2.gz MGIMDQXAHFXTAU-SJLPKXTDSA-N 1 1 311.473 3.609 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](O)[C@@H]2CCc2ccccc2)c1 ZINC000592168556 1039162527 /nfs/dbraw/zinc/16/25/27/1039162527.db2.gz RNAYLXAWOLSESU-LEWJYISDSA-N 1 1 320.436 3.516 20 30 DHEDMO C[C@@H]1CC2(C[N@H+]1Cc1ccc(C#N)cc1Cl)CCOCC2 ZINC000592183376 1039172979 /nfs/dbraw/zinc/17/29/79/1039172979.db2.gz IBEKZNAXHPRGDZ-CYBMUJFWSA-N 1 1 304.821 3.603 20 30 DHEDMO C=CC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000603840963 1039178383 /nfs/dbraw/zinc/17/83/83/1039178383.db2.gz FXUZHMDSPGLDCD-UHFFFAOYSA-N 1 1 312.369 3.662 20 30 DHEDMO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1cc2n(n1)CCCC2 ZINC000592390807 1039187683 /nfs/dbraw/zinc/18/76/83/1039187683.db2.gz PAUKNPBIDPPNBG-KUHUBIRLSA-N 1 1 320.440 3.819 20 30 DHEDMO N#Cc1ccc(OCC[N@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000603859223 1039191867 /nfs/dbraw/zinc/19/18/67/1039191867.db2.gz WVIQJQQXXZKAKJ-UHFFFAOYSA-N 1 1 310.372 3.741 20 30 DHEDMO Cc1cc(C)c(C#N)c(NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000603860704 1039195179 /nfs/dbraw/zinc/19/51/79/1039195179.db2.gz UOVBVGTZALVDQT-GASCZTMLSA-N 1 1 314.477 3.740 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000599529327 1039200507 /nfs/dbraw/zinc/20/05/07/1039200507.db2.gz MMZMNMFUHRCCPT-LBPRGKRZSA-N 1 1 305.219 3.719 20 30 DHEDMO C/C=C\C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000599688056 1039269004 /nfs/dbraw/zinc/26/90/04/1039269004.db2.gz BRRSERMTLFRETC-YPQKKHBXSA-N 1 1 311.429 3.565 20 30 DHEDMO COc1ccc(C)cc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686063 1039270408 /nfs/dbraw/zinc/27/04/08/1039270408.db2.gz MKVZJUMQYKUSOL-UHFFFAOYSA-N 1 1 306.409 3.628 20 30 DHEDMO CCC[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1F ZINC000604493337 1039484907 /nfs/dbraw/zinc/48/49/07/1039484907.db2.gz QRHBXRREBWODRT-UHFFFAOYSA-N 1 1 312.388 3.988 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000604501397 1039488516 /nfs/dbraw/zinc/48/85/16/1039488516.db2.gz GYKJUPOHXRPYNS-GOSISDBHSA-N 1 1 322.408 3.609 20 30 DHEDMO CC(C)Cn1nccc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000592500758 1039556398 /nfs/dbraw/zinc/55/63/98/1039556398.db2.gz RIADNBVWZMMYBI-UHFFFAOYSA-N 1 1 320.440 3.700 20 30 DHEDMO CC(C)Cn1nccc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000592500758 1039556408 /nfs/dbraw/zinc/55/64/08/1039556408.db2.gz RIADNBVWZMMYBI-UHFFFAOYSA-N 1 1 320.440 3.700 20 30 DHEDMO COc1cccc(C[NH2+]CC2(C#N)CCCC2)c1OC(C)C ZINC000593649343 1039575877 /nfs/dbraw/zinc/57/58/77/1039575877.db2.gz APWLVWMEOGKKRX-UHFFFAOYSA-N 1 1 302.418 3.656 20 30 DHEDMO COc1ccc(C[NH2+]CC2(C#N)CCCC2)cc1Br ZINC000593652641 1039579790 /nfs/dbraw/zinc/57/97/90/1039579790.db2.gz IRIMDBZWPOBTAU-UHFFFAOYSA-N 1 1 323.234 3.631 20 30 DHEDMO C=CCNC(=O)C[N@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000605000443 1039601614 /nfs/dbraw/zinc/60/16/14/1039601614.db2.gz RIICTLCZVXUERQ-MRXNPFEDSA-N 1 1 306.837 3.559 20 30 DHEDMO C=CCNC(=O)C[N@@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000605000443 1039601627 /nfs/dbraw/zinc/60/16/27/1039601627.db2.gz RIICTLCZVXUERQ-MRXNPFEDSA-N 1 1 306.837 3.559 20 30 DHEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000171930063 1039669780 /nfs/dbraw/zinc/66/97/80/1039669780.db2.gz CXIDCNGRDGZAGV-OAHLLOKOSA-N 1 1 310.397 3.726 20 30 DHEDMO CCOC(=O)CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C(C)C ZINC000594052745 1039673997 /nfs/dbraw/zinc/67/39/97/1039673997.db2.gz KJXAOVNLWHFUCZ-UHFFFAOYSA-N 1 1 316.445 3.651 20 30 DHEDMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046528435 1039734245 /nfs/dbraw/zinc/73/42/45/1039734245.db2.gz HAGOLWOXEJWNSK-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046528435 1039734259 /nfs/dbraw/zinc/73/42/59/1039734259.db2.gz HAGOLWOXEJWNSK-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000605738761 1039742528 /nfs/dbraw/zinc/74/25/28/1039742528.db2.gz NCQFVANECQHSKH-GOSISDBHSA-N 1 1 302.462 3.788 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N(CCC)Cc1ccc(C)cc1 ZINC000605737546 1039744198 /nfs/dbraw/zinc/74/41/98/1039744198.db2.gz HPZAKZOPTMFHQQ-UHFFFAOYSA-N 1 1 302.462 3.632 20 30 DHEDMO C[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)C[NH+]1CCCCC1 ZINC000594495182 1039796341 /nfs/dbraw/zinc/79/63/41/1039796341.db2.gz NFSWIWSIXSAXCH-KRWDZBQOSA-N 1 1 313.489 3.699 20 30 DHEDMO CC(C)C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(C#N)cn1 ZINC000593958165 1039804957 /nfs/dbraw/zinc/80/49/57/1039804957.db2.gz SEPYASMYCVHOEK-UHFFFAOYSA-N 1 1 311.404 3.793 20 30 DHEDMO C[C@H](CCNCc1ccc(C(C)(C)C#N)cc1)[NH+]1CCCCC1 ZINC000594501413 1039804956 /nfs/dbraw/zinc/80/49/56/1039804956.db2.gz VNPJSUQFWDQLKG-QGZVFWFLSA-N 1 1 313.489 3.842 20 30 DHEDMO CCC[N@H+](CCCN(C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594607516 1039869686 /nfs/dbraw/zinc/86/96/86/1039869686.db2.gz WRJLRJCMKZHGSI-UHFFFAOYSA-N 1 1 301.478 3.651 20 30 DHEDMO CCC[N@@H+](CCCN(C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594607516 1039869713 /nfs/dbraw/zinc/86/97/13/1039869713.db2.gz WRJLRJCMKZHGSI-UHFFFAOYSA-N 1 1 301.478 3.651 20 30 DHEDMO CCCN(CCC[NH+](C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594607516 1039869739 /nfs/dbraw/zinc/86/97/39/1039869739.db2.gz WRJLRJCMKZHGSI-UHFFFAOYSA-N 1 1 301.478 3.651 20 30 DHEDMO CCN(CCC[NH+]1CCCC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594607462 1039870385 /nfs/dbraw/zinc/87/03/85/1039870385.db2.gz VOLLOTNKJIRMEY-UHFFFAOYSA-N 1 1 313.489 3.796 20 30 DHEDMO C[C@H]1CCCC[N@@H+]1CCCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594918354 1039926140 /nfs/dbraw/zinc/92/61/40/1039926140.db2.gz NZRCQUFOQMKMGS-KRWDZBQOSA-N 1 1 311.473 3.596 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594918354 1039926147 /nfs/dbraw/zinc/92/61/47/1039926147.db2.gz NZRCQUFOQMKMGS-KRWDZBQOSA-N 1 1 311.473 3.596 20 30 DHEDMO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000594920382 1039926172 /nfs/dbraw/zinc/92/61/72/1039926172.db2.gz FLNVKPRHGQJDCA-SFHVURJKSA-N 1 1 324.424 3.874 20 30 DHEDMO COc1cccc([C@@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)c1 ZINC000059372120 1039957937 /nfs/dbraw/zinc/95/79/37/1039957937.db2.gz JRTHYDWSMAUTBD-FQEVSTJZSA-N 1 1 322.408 3.783 20 30 DHEDMO N#Cc1ccc(C2([NH2+]Cc3csc([N+](=O)[O-])c3)CCC2)cc1 ZINC000594032168 1039959697 /nfs/dbraw/zinc/95/96/97/1039959697.db2.gz QVFDKUFVQCETJT-UHFFFAOYSA-N 1 1 313.382 3.697 20 30 DHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000172607480 1039960382 /nfs/dbraw/zinc/96/03/82/1039960382.db2.gz RJLIRYUKTWAVQP-KSSFIOAISA-N 1 1 323.444 3.593 20 30 DHEDMO Cc1cccc2nc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)cn21 ZINC000594032813 1039968805 /nfs/dbraw/zinc/96/88/05/1039968805.db2.gz QKPHOBVRYNIKSJ-UHFFFAOYSA-N 1 1 316.408 3.683 20 30 DHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc([S@@](C)=O)cc1 ZINC000595090560 1040077037 /nfs/dbraw/zinc/07/70/37/1040077037.db2.gz IAFVPIWBZQJISZ-LHSJRXKWSA-N 1 1 304.459 3.549 20 30 DHEDMO CC[N@H+](Cc1cc(OC)ns1)[C@@H](C)c1ccc(C#N)cc1 ZINC000595295183 1040091759 /nfs/dbraw/zinc/09/17/59/1040091759.db2.gz HPOZKSHZRAUYLO-LBPRGKRZSA-N 1 1 301.415 3.606 20 30 DHEDMO CC[N@@H+](Cc1cc(OC)ns1)[C@@H](C)c1ccc(C#N)cc1 ZINC000595295183 1040091775 /nfs/dbraw/zinc/09/17/75/1040091775.db2.gz HPOZKSHZRAUYLO-LBPRGKRZSA-N 1 1 301.415 3.606 20 30 DHEDMO COc1cc(C)c(C[N@@H+](C)CCc2ccc(C#N)cc2)cc1OC ZINC000595288806 1040100240 /nfs/dbraw/zinc/10/02/40/1040100240.db2.gz PBTNEHVQNSYJHZ-UHFFFAOYSA-N 1 1 324.424 3.558 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000595319681 1040109585 /nfs/dbraw/zinc/10/95/85/1040109585.db2.gz CPYWCKRNYLUENQ-LJQANCHMSA-N 1 1 308.450 3.891 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000595450607 1040144906 /nfs/dbraw/zinc/14/49/06/1040144906.db2.gz UHRQHLJTPKOKRP-OAQYLSRUSA-N 1 1 318.420 3.622 20 30 DHEDMO C=CC[N@H+](CCc1ccc(OC)cc1)Cc1cccc(C#N)c1 ZINC000063300458 1040179761 /nfs/dbraw/zinc/17/97/61/1040179761.db2.gz KYRUDSFIMQFPCO-UHFFFAOYSA-N 1 1 306.409 3.798 20 30 DHEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2cc(C#N)ccn2)c1 ZINC001168423210 1040193135 /nfs/dbraw/zinc/19/31/35/1040193135.db2.gz DYHPDPFBCVWHHW-LIRRHRJNSA-N 1 1 307.397 3.545 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000595623062 1040196654 /nfs/dbraw/zinc/19/66/54/1040196654.db2.gz GCCWJAMOYWYPKG-QGZVFWFLSA-N 1 1 321.424 3.786 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC000595623062 1040196658 /nfs/dbraw/zinc/19/66/58/1040196658.db2.gz GCCWJAMOYWYPKG-QGZVFWFLSA-N 1 1 321.424 3.786 20 30 DHEDMO COc1ccc(C[C@@H]2CCCC[N@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000593084231 1040196676 /nfs/dbraw/zinc/19/66/76/1040196676.db2.gz PSWSQMGLBRKSPI-IBGZPJMESA-N 1 1 321.424 3.559 20 30 DHEDMO Cc1c(Br)cccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595621484 1040196711 /nfs/dbraw/zinc/19/67/11/1040196711.db2.gz VOHQUKHXIFVPDZ-CYBMUJFWSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1c(Br)cccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595621484 1040196717 /nfs/dbraw/zinc/19/67/17/1040196717.db2.gz VOHQUKHXIFVPDZ-CYBMUJFWSA-N 1 1 307.235 3.883 20 30 DHEDMO CC1(C)C[C@@H]([N@@H+](CCCSCC#N)Cc2ccccc2)CO1 ZINC000595634615 1040199514 /nfs/dbraw/zinc/19/95/14/1040199514.db2.gz DBDOSZORFCNDQA-QGZVFWFLSA-N 1 1 318.486 3.703 20 30 DHEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H](CO)Cc1ccccc1 ZINC000595593936 1040202396 /nfs/dbraw/zinc/20/23/96/1040202396.db2.gz BTVWOIXSQIUDDY-IBGZPJMESA-N 1 1 322.452 3.523 20 30 DHEDMO Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595615349 1040207735 /nfs/dbraw/zinc/20/77/35/1040207735.db2.gz QDHNQAHCFHUGSA-CABCVRRESA-N 1 1 310.401 3.732 20 30 DHEDMO Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595615349 1040207741 /nfs/dbraw/zinc/20/77/41/1040207741.db2.gz QDHNQAHCFHUGSA-CABCVRRESA-N 1 1 310.401 3.732 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(c3ccon3)CC2)c(Cl)c1 ZINC000595827160 1040266352 /nfs/dbraw/zinc/26/63/52/1040266352.db2.gz BCGOJJKFCTYQAI-UHFFFAOYSA-N 1 1 301.777 3.579 20 30 DHEDMO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@@H](CC(F)(F)F)O1 ZINC000595891436 1040270149 /nfs/dbraw/zinc/27/01/49/1040270149.db2.gz HAVHEJOLLQDVBT-QWHCGFSZSA-N 1 1 306.372 3.748 20 30 DHEDMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@@H](CC(F)(F)F)O1 ZINC000595891436 1040270160 /nfs/dbraw/zinc/27/01/60/1040270160.db2.gz HAVHEJOLLQDVBT-QWHCGFSZSA-N 1 1 306.372 3.748 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@](C)(C(F)F)O1 ZINC000595917470 1040282623 /nfs/dbraw/zinc/28/26/23/1040282623.db2.gz MYAARYHUKANXCX-SCLBCKFNSA-N 1 1 322.399 3.732 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@](C)(C(F)F)O1 ZINC000595917470 1040282638 /nfs/dbraw/zinc/28/26/38/1040282638.db2.gz MYAARYHUKANXCX-SCLBCKFNSA-N 1 1 322.399 3.732 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccccc1SC(F)F ZINC000076736032 1040380023 /nfs/dbraw/zinc/38/00/23/1040380023.db2.gz QWPZNCXUCYONTC-UHFFFAOYSA-N 1 1 314.401 3.838 20 30 DHEDMO N#Cc1ccc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000596570001 1040488649 /nfs/dbraw/zinc/48/86/49/1040488649.db2.gz GEQZTLMRNVBQED-AWEZNQCLSA-N 1 1 303.837 3.746 20 30 DHEDMO N#CC1(c2cccc(-c3ccc(C[NH+]4CCOCC4)cc3)c2)CC1 ZINC000596637583 1040534411 /nfs/dbraw/zinc/53/44/11/1040534411.db2.gz VJOOOHNEIOFALC-UHFFFAOYSA-N 1 1 318.420 3.741 20 30 DHEDMO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075767285 1040537735 /nfs/dbraw/zinc/53/77/35/1040537735.db2.gz XALJPBBYEXPPKW-KGLIPLIRSA-N 1 1 310.401 3.619 20 30 DHEDMO Cn1ncc(C2CCC2)c1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000596979261 1040613639 /nfs/dbraw/zinc/61/36/39/1040613639.db2.gz JJRLXOMZPHTQGI-UHFFFAOYSA-N 1 1 320.440 3.724 20 30 DHEDMO Cn1ncc(C2CCC2)c1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000596979261 1040613645 /nfs/dbraw/zinc/61/36/45/1040613645.db2.gz JJRLXOMZPHTQGI-UHFFFAOYSA-N 1 1 320.440 3.724 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)ccc1O ZINC000596982681 1040613689 /nfs/dbraw/zinc/61/36/89/1040613689.db2.gz FGJSDCUBDYHMRJ-UHFFFAOYSA-N 1 1 322.408 3.588 20 30 DHEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H](CCO)c1ccccc1 ZINC000597009499 1040623381 /nfs/dbraw/zinc/62/33/81/1040623381.db2.gz SJKLXIOSGGKARJ-HXUWFJFHSA-N 1 1 320.436 3.797 20 30 DHEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000596997061 1040628301 /nfs/dbraw/zinc/62/83/01/1040628301.db2.gz XCOAYQNJNPCEPP-GOSISDBHSA-N 1 1 316.445 3.616 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000596997061 1040628306 /nfs/dbraw/zinc/62/83/06/1040628306.db2.gz XCOAYQNJNPCEPP-GOSISDBHSA-N 1 1 316.445 3.616 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@H](C#N)CC(C)C)cc1)C(C)C ZINC000608823794 1040629665 /nfs/dbraw/zinc/62/96/65/1040629665.db2.gz HNLLMMNZJRMQLJ-SFHVURJKSA-N 1 1 315.461 3.585 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C#N)CC(C)C)cc1)C(C)C ZINC000608823793 1040629887 /nfs/dbraw/zinc/62/98/87/1040629887.db2.gz HNLLMMNZJRMQLJ-GOSISDBHSA-N 1 1 315.461 3.585 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC1CCCC1 ZINC000064014524 1040634798 /nfs/dbraw/zinc/63/47/98/1040634798.db2.gz WLVANCPVXQTPBU-OAHLLOKOSA-N 1 1 320.502 3.773 20 30 DHEDMO C[C@@]12CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C[C@@H]1C2(F)F ZINC000597128970 1040659042 /nfs/dbraw/zinc/65/90/42/1040659042.db2.gz FOGKMAMDYQMRID-JKSUJKDBSA-N 1 1 302.368 3.719 20 30 DHEDMO COc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2OC)cc1C#N ZINC000174565915 1040660798 /nfs/dbraw/zinc/66/07/98/1040660798.db2.gz VKKNFRZYLVVJDI-LBPRGKRZSA-N 1 1 314.360 3.565 20 30 DHEDMO CC[C@H](C)Oc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1OC ZINC000597172492 1040668080 /nfs/dbraw/zinc/66/80/80/1040668080.db2.gz AXWYUWWYIFFWAG-JKSUJKDBSA-N 1 1 316.445 3.998 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC000597175467 1040674554 /nfs/dbraw/zinc/67/45/54/1040674554.db2.gz ZTASZAXNVMKLHU-KRWDZBQOSA-N 1 1 321.424 3.786 20 30 DHEDMO N#CCC1C[NH+](Cc2c(OC(F)F)ccc3ccccc32)C1 ZINC000597193313 1040676106 /nfs/dbraw/zinc/67/61/06/1040676106.db2.gz PSNSLVFWVONZGM-UHFFFAOYSA-N 1 1 302.324 3.787 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000597177818 1040678378 /nfs/dbraw/zinc/67/83/78/1040678378.db2.gz QXWDKNADURTSNM-CQSZACIVSA-N 1 1 313.426 3.951 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC000597177818 1040678379 /nfs/dbraw/zinc/67/83/79/1040678379.db2.gz QXWDKNADURTSNM-CQSZACIVSA-N 1 1 313.426 3.951 20 30 DHEDMO N#Cc1sccc1N1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000597183562 1040681161 /nfs/dbraw/zinc/68/11/61/1040681161.db2.gz LBKGYWIVLCGBAJ-UHFFFAOYSA-N 1 1 323.421 3.688 20 30 DHEDMO COc1cccc([C@]2(C)CC[N@@H+](CC(C)(C)CCC#N)C2)c1 ZINC000597211764 1040685763 /nfs/dbraw/zinc/68/57/63/1040685763.db2.gz OPOXEFHGFOBHDD-LJQANCHMSA-N 1 1 300.446 3.989 20 30 DHEDMO COc1ccc(C[N@H+](CCC#N)C(C)C)cc1OCCCC#N ZINC000534337091 1040819847 /nfs/dbraw/zinc/81/98/47/1040819847.db2.gz FPEHDSIRZCOMBX-UHFFFAOYSA-N 1 1 315.417 3.502 20 30 DHEDMO COc1ccc(C[N@@H+](CCC#N)C(C)C)cc1OCCCC#N ZINC000534337091 1040819864 /nfs/dbraw/zinc/81/98/64/1040819864.db2.gz FPEHDSIRZCOMBX-UHFFFAOYSA-N 1 1 315.417 3.502 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCc3cc(F)ccc3C1)CC2 ZINC001168425817 1040834448 /nfs/dbraw/zinc/83/44/48/1040834448.db2.gz HUTSZTUEJNOCIL-HXUWFJFHSA-N 1 1 306.384 3.613 20 30 DHEDMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H]1CCC[C@@H]1O ZINC000534381704 1040839714 /nfs/dbraw/zinc/83/97/14/1040839714.db2.gz BNEOUDURPSSRMK-CTNGQTDRSA-N 1 1 320.436 3.818 20 30 DHEDMO CC[N@H+](Cc1cnc(OC)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602444849 1041036510 /nfs/dbraw/zinc/03/65/10/1041036510.db2.gz QXCOZLFUYYFJDM-LBPRGKRZSA-N 1 1 301.415 3.606 20 30 DHEDMO CC[N@@H+](Cc1cnc(OC)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602444849 1041036527 /nfs/dbraw/zinc/03/65/27/1041036527.db2.gz QXCOZLFUYYFJDM-LBPRGKRZSA-N 1 1 301.415 3.606 20 30 DHEDMO CC[N@@H+]([C@H](C)c1ccc(C#N)cc1)[C@@H](c1nccn1C)C1CC1 ZINC000602443015 1041037024 /nfs/dbraw/zinc/03/70/24/1041037024.db2.gz FLGGXVJCRYHEII-RDTXWAMCSA-N 1 1 308.429 3.826 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCc2cccc(Br)c2C1 ZINC000602475989 1041039600 /nfs/dbraw/zinc/03/96/00/1041039600.db2.gz VGVCQZICCLHFFM-GFCCVEGCSA-N 1 1 307.235 3.747 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NCc2cccc(C#N)n2)cc1 ZINC000602482510 1041052929 /nfs/dbraw/zinc/05/29/29/1041052929.db2.gz CWVFXTCRQMAEEH-MRXNPFEDSA-N 1 1 320.440 3.940 20 30 DHEDMO N#CCCCCNc1nccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001168427196 1041094630 /nfs/dbraw/zinc/09/46/30/1041094630.db2.gz JNBKJYTZLBSMNF-UHFFFAOYSA-N 1 1 320.440 3.746 20 30 DHEDMO CCOC(=O)C[N@@H+](C[C@@H](C)CCC#N)[C@H](C)c1ccccc1 ZINC000602584504 1041112691 /nfs/dbraw/zinc/11/26/91/1041112691.db2.gz CXORBHSCFANLLT-JKSUJKDBSA-N 1 1 302.418 3.553 20 30 DHEDMO N#Cc1cccc(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)n1 ZINC000602581981 1041112952 /nfs/dbraw/zinc/11/29/52/1041112952.db2.gz LKEUYLCFJMFPED-INIZCTEOSA-N 1 1 313.788 3.610 20 30 DHEDMO N#CCC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602643410 1041129789 /nfs/dbraw/zinc/12/97/89/1041129789.db2.gz QOAGSVLPYOQBHB-IEBWSBKVSA-N 1 1 309.457 3.638 20 30 DHEDMO N#CCC1(CN[C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602643410 1041129800 /nfs/dbraw/zinc/12/98/00/1041129800.db2.gz QOAGSVLPYOQBHB-IEBWSBKVSA-N 1 1 309.457 3.638 20 30 DHEDMO N#CCC1(CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602643410 1041129809 /nfs/dbraw/zinc/12/98/09/1041129809.db2.gz QOAGSVLPYOQBHB-IEBWSBKVSA-N 1 1 309.457 3.638 20 30 DHEDMO C=CC[N@H+](CC1CCCCC1)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602781747 1041206672 /nfs/dbraw/zinc/20/66/72/1041206672.db2.gz FZYQLIYZJPHXJJ-CYBMUJFWSA-N 1 1 306.406 3.591 20 30 DHEDMO C=CC[N@@H+](CC1CCCCC1)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602781747 1041206691 /nfs/dbraw/zinc/20/66/91/1041206691.db2.gz FZYQLIYZJPHXJJ-CYBMUJFWSA-N 1 1 306.406 3.591 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000602810711 1041234133 /nfs/dbraw/zinc/23/41/33/1041234133.db2.gz HNCNYLKCDDIQNF-INIZCTEOSA-N 1 1 310.445 3.688 20 30 DHEDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]CC3(CC#N)CC3)n2)cc1 ZINC000602811023 1041239683 /nfs/dbraw/zinc/23/96/83/1041239683.db2.gz WFRIFSZXBALSQY-CYBMUJFWSA-N 1 1 310.401 3.643 20 30 DHEDMO COc1ccc(C[N@@H+](CC2CC2)CC2(CC#N)CC2)c(OC)c1 ZINC000602827287 1041245910 /nfs/dbraw/zinc/24/59/10/1041245910.db2.gz XWUBEZBDNGHVMM-UHFFFAOYSA-N 1 1 314.429 3.610 20 30 DHEDMO CC1=Nc2ccccc2C12CC[NH+](Cc1ccncc1C#N)CC2 ZINC000602867551 1041294628 /nfs/dbraw/zinc/29/46/28/1041294628.db2.gz ZYNNWFYKFKPWIG-UHFFFAOYSA-N 1 1 316.408 3.593 20 30 DHEDMO C[N@@H+](CCOCCC#N)Cc1ccccc1OCc1ccccc1 ZINC000602959901 1041326149 /nfs/dbraw/zinc/32/61/49/1041326149.db2.gz SQDRSSJETQNFHZ-UHFFFAOYSA-N 1 1 324.424 3.628 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[N@@H+](C)[C@@H]3CCC[C@@H]3C#N)cc2)n1 ZINC000602979862 1041330263 /nfs/dbraw/zinc/33/02/63/1041330263.db2.gz IRFFUHRXZJXHMS-IEBWSBKVSA-N 1 1 308.429 3.613 20 30 DHEDMO Cc1cc(C)n(-c2ccc(C[N@H+](C)[C@@H]3CCC[C@@H]3C#N)cc2)n1 ZINC000602979862 1041330271 /nfs/dbraw/zinc/33/02/71/1041330271.db2.gz IRFFUHRXZJXHMS-IEBWSBKVSA-N 1 1 308.429 3.613 20 30 DHEDMO C[N@H+](Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602975515 1041335162 /nfs/dbraw/zinc/33/51/62/1041335162.db2.gz BZUDONXZXSTJBD-DZGCQCFKSA-N 1 1 312.335 3.752 20 30 DHEDMO C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602975515 1041335170 /nfs/dbraw/zinc/33/51/70/1041335170.db2.gz BZUDONXZXSTJBD-DZGCQCFKSA-N 1 1 312.335 3.752 20 30 DHEDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H](O)CC(C)(C)C#N ZINC000598585744 1041347745 /nfs/dbraw/zinc/34/77/45/1041347745.db2.gz KOGDUWVCTSAVCN-CQSZACIVSA-N 1 1 315.244 3.726 20 30 DHEDMO C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598585743 1041347936 /nfs/dbraw/zinc/34/79/36/1041347936.db2.gz KOGDUWVCTSAVCN-AWEZNQCLSA-N 1 1 315.244 3.726 20 30 DHEDMO Cc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)cc1C ZINC000598585818 1041348510 /nfs/dbraw/zinc/34/85/10/1041348510.db2.gz AHVAWJXJWNZCEI-MSOLQXFVSA-N 1 1 300.446 3.741 20 30 DHEDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C[C@H](O)CC(C)(C)C#N)C2CC2)o1 ZINC000598585161 1041348784 /nfs/dbraw/zinc/34/87/84/1041348784.db2.gz VKMJASXXIDRIPU-FRFSOERESA-N 1 1 316.445 3.668 20 30 DHEDMO Cc1ccc([C@H]2CCCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598592500 1041350714 /nfs/dbraw/zinc/35/07/14/1041350714.db2.gz LACRDHXCGATHIQ-ZWKOTPCHSA-N 1 1 300.446 3.823 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000598622949 1041364845 /nfs/dbraw/zinc/36/48/45/1041364845.db2.gz PMDLMBQXDIJULN-DLBZAZTESA-N 1 1 318.436 3.523 20 30 DHEDMO CC[C@H](C[N@@H+](CC)C[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598609207 1041368195 /nfs/dbraw/zinc/36/81/95/1041368195.db2.gz RYUUAAAQGQSNQH-SJLPKXTDSA-N 1 1 302.462 3.803 20 30 DHEDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000090117729 185282988 /nfs/dbraw/zinc/28/29/88/185282988.db2.gz KXBOPEXYUIUEHT-GFCCVEGCSA-N 1 1 314.408 3.808 20 30 DHEDMO C=CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283291671 335003352 /nfs/dbraw/zinc/00/33/52/335003352.db2.gz XZWHKIPNAWDVKP-GOSISDBHSA-N 1 1 314.473 3.827 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000285892345 335027825 /nfs/dbraw/zinc/02/78/25/335027825.db2.gz JZZOHYRUHXAZEQ-YPAWHYETSA-N 1 1 317.432 3.543 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)N(C)c1ccccc1 ZINC000425542961 335036326 /nfs/dbraw/zinc/03/63/26/335036326.db2.gz YYDHRPKTSDUISM-INIZCTEOSA-N 1 1 321.424 3.604 20 30 DHEDMO C#Cc1ccc(CNc2cccc([C@H](C)[NH+]3CCOCC3)c2)cc1 ZINC000289315123 335061309 /nfs/dbraw/zinc/06/13/09/335061309.db2.gz SNMXISLMMCOPTG-KRWDZBQOSA-N 1 1 320.436 3.673 20 30 DHEDMO Cc1[nH+]ccn1CCCNc1cc(C#N)ccc1C(F)(F)F ZINC000274694494 130255156 /nfs/dbraw/zinc/25/51/56/130255156.db2.gz NCAHNGUUTVUMST-UHFFFAOYSA-N 1 1 308.307 3.584 20 30 DHEDMO C[C@H](N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000286851045 131252220 /nfs/dbraw/zinc/25/22/20/131252220.db2.gz ALKVTRBNINXSNQ-LIRRHRJNSA-N 1 1 311.404 3.651 20 30 DHEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CC2CCCCC2)c(C#N)c1C ZINC000044715149 132160343 /nfs/dbraw/zinc/16/03/43/132160343.db2.gz UYYQLFHKNUGINK-CYBMUJFWSA-N 1 1 317.433 3.607 20 30 DHEDMO C[C@H](CNc1cc(C#N)c2ccccc2n1)[N@H+]1CCC[C@@H](C)C1 ZINC000524053056 434968494 /nfs/dbraw/zinc/96/84/94/434968494.db2.gz IKKBPNDOJMOKPX-HUUCEWRRSA-N 1 1 308.429 3.639 20 30 DHEDMO Cc1nc(Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)ccc1C#N ZINC000488090355 435633876 /nfs/dbraw/zinc/63/38/76/435633876.db2.gz AFWHSLAXDPLSBI-UHFFFAOYSA-N 1 1 303.369 3.769 20 30 DHEDMO Cc1nc(Nc2cccc(CC[N@H+](C)C3CC3)c2)ccc1C#N ZINC000488099235 435634294 /nfs/dbraw/zinc/63/42/94/435634294.db2.gz JNTAPTJOYJRONI-UHFFFAOYSA-N 1 1 306.413 3.642 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000558506892 331915015 /nfs/dbraw/zinc/91/50/15/331915015.db2.gz UCUNIMDAEHLSDT-QGZVFWFLSA-N 1 1 311.429 3.931 20 30 DHEDMO C[C@@H](C[N@@H+](C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000569385524 332072396 /nfs/dbraw/zinc/07/23/96/332072396.db2.gz CRDVVCNORLYKDM-KRWDZBQOSA-N 1 1 308.425 3.810 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](C)[C@H](CC)c2ccc(Cl)cc2)C1=O ZINC000410335226 332113781 /nfs/dbraw/zinc/11/37/81/332113781.db2.gz NIDPDRRLASWQNX-CVEARBPZSA-N 1 1 306.837 3.510 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+]2CCCCC[C@H]2c2ccc(CC)o2)C1=O ZINC000410381667 332121224 /nfs/dbraw/zinc/12/12/24/332121224.db2.gz XVALWSQLFHNFSV-IRXDYDNUSA-N 1 1 316.445 3.546 20 30 DHEDMO C=CC[N@@H+](Cc1cnc2ccc(C)cn12)Cc1cccc(C#N)c1 ZINC000092504645 332131319 /nfs/dbraw/zinc/13/13/19/332131319.db2.gz CFJNUDLSBAIKST-UHFFFAOYSA-N 1 1 316.408 3.703 20 30 DHEDMO C=CC[N@H+](Cc1cnc2ccc(C)cn12)Cc1cccc(C#N)c1 ZINC000092504645 332131320 /nfs/dbraw/zinc/13/13/20/332131320.db2.gz CFJNUDLSBAIKST-UHFFFAOYSA-N 1 1 316.408 3.703 20 30 DHEDMO C[C@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@H](c2ccc(F)cc2)O1 ZINC000093606543 332140661 /nfs/dbraw/zinc/14/06/61/332140661.db2.gz YOKWWTZNBNWXHR-WMLDXEAASA-N 1 1 304.409 3.917 20 30 DHEDMO C=CC[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1CC)c1ccccc1 ZINC000426840739 332156890 /nfs/dbraw/zinc/15/68/90/332156890.db2.gz RDCJOQMIGJUBRT-RBUKOAKNSA-N 1 1 314.473 3.727 20 30 DHEDMO CC[C@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000426999923 332165033 /nfs/dbraw/zinc/16/50/33/332165033.db2.gz MMSKQWUIYHHCAB-AWEZNQCLSA-N 1 1 319.474 3.687 20 30 DHEDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000426999923 332165035 /nfs/dbraw/zinc/16/50/35/332165035.db2.gz MMSKQWUIYHHCAB-AWEZNQCLSA-N 1 1 319.474 3.687 20 30 DHEDMO C[C@H]1SCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1C ZINC000427021073 332165722 /nfs/dbraw/zinc/16/57/22/332165722.db2.gz IFBLHVAHNWYUIB-QWHCGFSZSA-N 1 1 313.388 3.883 20 30 DHEDMO C=CCC[C@H](C(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000427094409 332167316 /nfs/dbraw/zinc/16/73/16/332167316.db2.gz QCMOOGGLJGMMCN-IBGZPJMESA-N 1 1 314.473 3.727 20 30 DHEDMO C=CCC[C@H](C(=O)N1CCC[N@H+](C(C)C)CC1)c1ccccc1 ZINC000427130701 332168368 /nfs/dbraw/zinc/16/83/68/332168368.db2.gz KYUVEIKCMSVIJX-IBGZPJMESA-N 1 1 314.473 3.679 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000292881957 335097049 /nfs/dbraw/zinc/09/70/49/335097049.db2.gz SUHGMKQRNGELRK-SJLPKXTDSA-N 1 1 314.473 3.616 20 30 DHEDMO CCC[N@H+](CC(=O)Nc1ccc(C)cc1)Cc1ccc(C#N)cc1 ZINC000531103887 332263006 /nfs/dbraw/zinc/26/30/06/332263006.db2.gz WHNFVYZLFRZFAJ-UHFFFAOYSA-N 1 1 321.424 3.717 20 30 DHEDMO CCC[N@@H+](CC(=O)Nc1ccc(C)cc1)Cc1ccc(C#N)cc1 ZINC000531103887 332263008 /nfs/dbraw/zinc/26/30/08/332263008.db2.gz WHNFVYZLFRZFAJ-UHFFFAOYSA-N 1 1 321.424 3.717 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@H]1CCCN(C(C)C)C1=O)c1ccc(F)c(F)c1 ZINC000187766895 332355995 /nfs/dbraw/zinc/35/59/95/332355995.db2.gz LBKCTXQKXWPFND-IRXDYDNUSA-N 1 1 322.399 3.571 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)NC(C)(C)CC)c1ccc(F)c(F)c1 ZINC000187775953 332432855 /nfs/dbraw/zinc/43/28/55/332432855.db2.gz VLFREURGMXASMS-WBMJQRKESA-N 1 1 324.415 3.865 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)CCC)c1ccc(F)c(F)c1 ZINC000248547283 332606734 /nfs/dbraw/zinc/60/67/34/332606734.db2.gz GCAARPUFMZBTJX-AHIWAGSCSA-N 1 1 324.415 3.865 20 30 DHEDMO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000580343646 335116443 /nfs/dbraw/zinc/11/64/43/335116443.db2.gz UGAVNVHWKMFVDS-YZVOILCLSA-N 1 1 323.440 3.687 20 30 DHEDMO N#Cc1cccnc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000110596713 333036827 /nfs/dbraw/zinc/03/68/27/333036827.db2.gz KNYIRFZKJLBDKD-YQQQUEKLSA-N 1 1 318.424 3.561 20 30 DHEDMO C=CCCCC[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000497155137 333130426 /nfs/dbraw/zinc/13/04/26/333130426.db2.gz YPLRBJIUGSCGCR-OAHLLOKOSA-N 1 1 302.418 3.992 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](O)c3ccccc3C2)c1 ZINC000363870253 333187190 /nfs/dbraw/zinc/18/71/90/333187190.db2.gz UPWSXRODNPNCQW-FQEVSTJZSA-N 1 1 309.409 3.691 20 30 DHEDMO CC[C@H](CC#N)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000184088860 333191705 /nfs/dbraw/zinc/19/17/05/333191705.db2.gz HWJFVSIBRYSWRR-MRXNPFEDSA-N 1 1 305.853 3.586 20 30 DHEDMO C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309778941 333196708 /nfs/dbraw/zinc/19/67/08/333196708.db2.gz KDNITOXWBNAZMV-MJGOQNOKSA-N 1 1 313.489 3.817 20 30 DHEDMO C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309778941 333196709 /nfs/dbraw/zinc/19/67/09/333196709.db2.gz KDNITOXWBNAZMV-MJGOQNOKSA-N 1 1 313.489 3.817 20 30 DHEDMO COc1ccccc1[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccn1 ZINC000185873721 333215377 /nfs/dbraw/zinc/21/53/77/333215377.db2.gz ZLQLLGUWLMXTRA-YRNRMSPPSA-N 1 1 321.424 3.852 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000364061158 333229550 /nfs/dbraw/zinc/22/95/50/333229550.db2.gz BLPXKKJFMAXSPE-SCTDSRPQSA-N 1 1 314.473 3.616 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000364079123 333234707 /nfs/dbraw/zinc/23/47/07/333234707.db2.gz JXFZHNPRQUNMOC-JKSUJKDBSA-N 1 1 303.450 3.772 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000497496164 333256713 /nfs/dbraw/zinc/25/67/13/333256713.db2.gz UFSYPEUIYBAJFJ-IBGZPJMESA-N 1 1 324.399 3.783 20 30 DHEDMO CC[N@@H+](CCOc1ccccc1C#N)[C@H](C)c1ccc(C#N)cc1 ZINC000497590812 333266500 /nfs/dbraw/zinc/26/65/00/333266500.db2.gz OEHSMLBKVWKZIJ-MRXNPFEDSA-N 1 1 319.408 3.892 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2CCOc2ccccc2C#N)cc1 ZINC000497619315 333270372 /nfs/dbraw/zinc/27/03/72/333270372.db2.gz RUXFLYWHEHZQHG-IBGZPJMESA-N 1 1 322.408 3.783 20 30 DHEDMO C=CCCCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000364380675 333303410 /nfs/dbraw/zinc/30/34/10/333303410.db2.gz SXMSMEXSUANZME-PKOBYXMFSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000531441863 333353381 /nfs/dbraw/zinc/35/33/81/333353381.db2.gz IRLDXMLZJNLZQH-OLZOCXBDSA-N 1 1 324.827 3.719 20 30 DHEDMO C[C@@H](Nc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390814916 333395685 /nfs/dbraw/zinc/39/56/85/333395685.db2.gz ICJGWRKZWHWYMD-APWZRJJASA-N 1 1 305.425 3.881 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1nc(-c2ccc(F)cc2)no1 ZINC000365817125 333461026 /nfs/dbraw/zinc/46/10/26/333461026.db2.gz PRQAESLWWGOGOB-SLEUVZQESA-N 1 1 314.364 3.609 20 30 DHEDMO C=CCC[N@H+](C)Cc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000343445330 335165249 /nfs/dbraw/zinc/16/52/49/335165249.db2.gz QCXOUWYXKVZYKP-UHFFFAOYSA-N 1 1 313.445 3.565 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)ccc1OC ZINC000343445195 335165335 /nfs/dbraw/zinc/16/53/35/335165335.db2.gz PETHDYAHGDHCEB-KXBFYZLASA-N 1 1 319.445 3.507 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)ccc1OC ZINC000343445184 335165406 /nfs/dbraw/zinc/16/54/06/335165406.db2.gz PETHDYAHGDHCEB-DNVCBOLYSA-N 1 1 319.445 3.507 20 30 DHEDMO Cn1cc(C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)cc1C#N ZINC000414514805 334003807 /nfs/dbraw/zinc/00/38/07/334003807.db2.gz SMBVVYPSRKFGBI-LJQANCHMSA-N 1 1 305.425 3.666 20 30 DHEDMO N#Cc1csc(C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)n1 ZINC000414514977 334003842 /nfs/dbraw/zinc/00/38/42/334003842.db2.gz SOOJJDMZOVMPBY-INIZCTEOSA-N 1 1 309.438 3.784 20 30 DHEDMO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000271432587 334023406 /nfs/dbraw/zinc/02/34/06/334023406.db2.gz BENRFEIIYSQZLL-FDYSRKEFSA-N 1 1 320.440 3.781 20 30 DHEDMO C[C@H](C#N)C[N@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000272329499 334032929 /nfs/dbraw/zinc/03/29/29/334032929.db2.gz WCGKOPHLCFHRRD-LLVKDONJSA-N 1 1 318.218 3.589 20 30 DHEDMO C[C@H](C#N)C[N@@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000272329499 334032931 /nfs/dbraw/zinc/03/29/31/334032931.db2.gz WCGKOPHLCFHRRD-LLVKDONJSA-N 1 1 318.218 3.589 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000272561439 334037327 /nfs/dbraw/zinc/03/73/27/334037327.db2.gz PUIONYZJXDMUFN-UHFFFAOYSA-N 1 1 308.429 3.560 20 30 DHEDMO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)cs1 ZINC000275061477 334069143 /nfs/dbraw/zinc/06/91/43/334069143.db2.gz QCPGTGHESUBRCN-QGZVFWFLSA-N 1 1 313.426 3.691 20 30 DHEDMO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)cs1 ZINC000275061477 334069144 /nfs/dbraw/zinc/06/91/44/334069144.db2.gz QCPGTGHESUBRCN-QGZVFWFLSA-N 1 1 313.426 3.691 20 30 DHEDMO COc1cc(C[N@@H+](C)CCCCC(C)(C)C#N)cc(OC)c1 ZINC000277803180 334090985 /nfs/dbraw/zinc/09/09/85/334090985.db2.gz UGAFVFLBWPDTRW-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@H]1CCOC1 ZINC000277828085 334091109 /nfs/dbraw/zinc/09/11/09/334091109.db2.gz VZKFRHKQESFONR-FQEVSTJZSA-N 1 1 320.436 3.607 20 30 DHEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)[C@@H]1CCOC1 ZINC000277828087 334091121 /nfs/dbraw/zinc/09/11/21/334091121.db2.gz VZKFRHKQESFONR-HXUWFJFHSA-N 1 1 320.436 3.607 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000277873337 334091484 /nfs/dbraw/zinc/09/14/84/334091484.db2.gz YQYUUYWULNBLNI-SFHVURJKSA-N 1 1 300.446 3.688 20 30 DHEDMO Cc1ccc(NC(=O)C[N@@H+](C)CCCCC(C)(C)C#N)cc1 ZINC000278083167 334092882 /nfs/dbraw/zinc/09/28/82/334092882.db2.gz ISFCSIFLNAOLRG-UHFFFAOYSA-N 1 1 301.434 3.585 20 30 DHEDMO Cc1cccc(NC(=O)C[N@@H+](C)CCCCC(C)(C)C#N)c1C ZINC000278268088 334094073 /nfs/dbraw/zinc/09/40/73/334094073.db2.gz YROFXZMCUMGLLW-UHFFFAOYSA-N 1 1 315.461 3.894 20 30 DHEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]([C@H]4CC[C@@H](C#N)C4)C3)nc2c1 ZINC000278761226 334100982 /nfs/dbraw/zinc/10/09/82/334100982.db2.gz XVHKVOGRNDHQHO-OAGGEKHMSA-N 1 1 308.429 3.743 20 30 DHEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+]([C@H]4CC[C@@H](C#N)C4)C3)[nH]c2c1 ZINC000278761226 334100983 /nfs/dbraw/zinc/10/09/83/334100983.db2.gz XVHKVOGRNDHQHO-OAGGEKHMSA-N 1 1 308.429 3.743 20 30 DHEDMO Cc1ccc2nc([C@@H]3CCC[N@H+]([C@H]4CC[C@@H](C#N)C4)C3)[nH]c2c1 ZINC000278761226 334100984 /nfs/dbraw/zinc/10/09/84/334100984.db2.gz XVHKVOGRNDHQHO-OAGGEKHMSA-N 1 1 308.429 3.743 20 30 DHEDMO C[NH+](C)Cc1ccc(NC(=O)C2(C#N)CCCCC2)cc1Cl ZINC000279997256 334113617 /nfs/dbraw/zinc/11/36/17/334113617.db2.gz LCJRWSPSHPFKKG-UHFFFAOYSA-N 1 1 319.836 3.814 20 30 DHEDMO COc1ccc(C[N@H+]2CCC=C(C)C2)cc1OCCCC#N ZINC000281717759 334127798 /nfs/dbraw/zinc/12/77/98/334127798.db2.gz DXCDXANWRBIMDB-UHFFFAOYSA-N 1 1 300.402 3.530 20 30 DHEDMO CC(C)(C)c1ncc(C[NH2+][C@H](CCC#N)c2ccccc2)cn1 ZINC000284440668 334143447 /nfs/dbraw/zinc/14/34/47/334143447.db2.gz STWXDTFDGLWFHR-QGZVFWFLSA-N 1 1 308.429 3.909 20 30 DHEDMO CC[C@](C)(C#N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000284981246 334145024 /nfs/dbraw/zinc/14/50/24/334145024.db2.gz DNRPYLFFXYLQGY-HNAYVOBHSA-N 1 1 313.445 3.939 20 30 DHEDMO CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1ccc(F)cc1O ZINC000286030085 334150875 /nfs/dbraw/zinc/15/08/75/334150875.db2.gz KDANPLDPEZBTBP-QGZVFWFLSA-N 1 1 314.360 3.675 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289578478 334166633 /nfs/dbraw/zinc/16/66/33/334166633.db2.gz WICSMTJADLQYSA-SFHVURJKSA-N 1 1 311.473 3.843 20 30 DHEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CCCC#N)c1 ZINC000291927012 334183122 /nfs/dbraw/zinc/18/31/22/334183122.db2.gz OAMIPEUWFHDMMM-UHFFFAOYSA-N 1 1 315.461 3.619 20 30 DHEDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H]1CC[C@@H](C#N)C1 ZINC000292705510 334191235 /nfs/dbraw/zinc/19/12/35/334191235.db2.gz DOCJZAJZGPWUMM-RISCZKNCSA-N 1 1 323.234 3.669 20 30 DHEDMO C[N@@H+](CCc1cccc(Br)c1)[C@H]1CC[C@H](C#N)C1 ZINC000293576475 334199084 /nfs/dbraw/zinc/19/90/84/334199084.db2.gz NJOQLHWJQJMKKJ-ZFWWWQNUSA-N 1 1 307.235 3.616 20 30 DHEDMO COc1c(C)cnc(C[N@@H+](C)CCCCC(C)(C)C#N)c1C ZINC000295116998 334218865 /nfs/dbraw/zinc/21/88/65/334218865.db2.gz IGVGKXCJMOYSAQ-UHFFFAOYSA-N 1 1 303.450 3.859 20 30 DHEDMO Cc1cccc(C[N@@H+](C)CCCC2(C#N)CCOCC2)c1C ZINC000298212735 334247249 /nfs/dbraw/zinc/24/72/49/334247249.db2.gz DTERBWUWZWEYKT-UHFFFAOYSA-N 1 1 300.446 3.836 20 30 DHEDMO C[C@H](CCC#N)[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000298554743 334249855 /nfs/dbraw/zinc/24/98/55/334249855.db2.gz OPRAMPKTZAQCMU-GFCCVEGCSA-N 1 1 300.324 3.752 20 30 DHEDMO CC(C)(C)N1CC[C@H]([NH2+]CCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000298628347 334250219 /nfs/dbraw/zinc/25/02/19/334250219.db2.gz VNTXBXYSAYTGNL-JKSUJKDBSA-N 1 1 323.843 3.896 20 30 DHEDMO COc1cc([C@@H](C)[NH2+]CCC#N)ccc1OCc1ccccc1 ZINC000299728306 334257613 /nfs/dbraw/zinc/25/76/13/334257613.db2.gz VSIJYSRLHUGLLZ-OAHLLOKOSA-N 1 1 310.397 3.838 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000187730174 334269956 /nfs/dbraw/zinc/26/99/56/334269956.db2.gz RORHOFFECJCOJP-SFHVURJKSA-N 1 1 319.452 3.827 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000187730174 334269958 /nfs/dbraw/zinc/26/99/58/334269958.db2.gz RORHOFFECJCOJP-SFHVURJKSA-N 1 1 319.452 3.827 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000187730174 334269959 /nfs/dbraw/zinc/26/99/59/334269959.db2.gz RORHOFFECJCOJP-SFHVURJKSA-N 1 1 319.452 3.827 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000303832128 334333359 /nfs/dbraw/zinc/33/33/59/334333359.db2.gz LSLDGFZYEFPLJE-QGZVFWFLSA-N 1 1 314.429 3.600 20 30 DHEDMO CC1(C)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000303843264 334334900 /nfs/dbraw/zinc/33/49/00/334334900.db2.gz CADAJAZLUDEJML-UHFFFAOYSA-N 1 1 319.836 3.662 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000121066523 334341277 /nfs/dbraw/zinc/34/12/77/334341277.db2.gz KKWOTWYJIZMMTL-LBPRGKRZSA-N 1 1 316.361 3.604 20 30 DHEDMO CC(C)(C#N)CC[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000534952126 334352316 /nfs/dbraw/zinc/35/23/16/334352316.db2.gz XSFLVCQMCAAGLV-UHFFFAOYSA-N 1 1 321.468 3.897 20 30 DHEDMO COc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)cc1F ZINC000341030657 334403163 /nfs/dbraw/zinc/40/31/63/334403163.db2.gz HBOANMVXLDJQCJ-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO COCC1(C#N)CC[NH+]([C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000341995004 334499015 /nfs/dbraw/zinc/49/90/15/334499015.db2.gz QUNFTGQJKSFSJF-LBPRGKRZSA-N 1 1 310.800 3.792 20 30 DHEDMO C[C@@H]1C[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)S1 ZINC000582153622 334605579 /nfs/dbraw/zinc/60/55/79/334605579.db2.gz CCVTVWQMLAUMEE-GHMZBOCLSA-N 1 1 314.376 3.903 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2OC2CCC2)c(F)c1 ZINC000344349423 335243559 /nfs/dbraw/zinc/24/35/59/335243559.db2.gz LSOPLMUZGJBHLV-UHFFFAOYSA-N 1 1 310.372 3.918 20 30 DHEDMO N#CCC[N@H+](CCn1ccc2cc(Cl)ccc21)CC1CC1 ZINC000351515633 336039697 /nfs/dbraw/zinc/03/96/97/336039697.db2.gz CNIVAYZYNPTYOK-UHFFFAOYSA-N 1 1 301.821 3.920 20 30 DHEDMO Cc1cnc([C@H]([NH2+]CC(=O)NC2CCCCC2)C2CC2)s1 ZINC000329684814 336044150 /nfs/dbraw/zinc/04/41/50/336044150.db2.gz UKOLNFBXOZHIJP-OAHLLOKOSA-N 1 1 307.463 3.781 20 30 DHEDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC000329967037 336100942 /nfs/dbraw/zinc/10/09/42/336100942.db2.gz VXSKSLKMLIUDEY-CQSZACIVSA-N 1 1 319.449 3.757 20 30 DHEDMO CC[C@H]1CCCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000351912071 336132314 /nfs/dbraw/zinc/13/23/14/336132314.db2.gz DHQKQEFCPUKLSR-KRWDZBQOSA-N 1 1 313.445 3.588 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccn(C2CCCC2)n1 ZINC000330298394 336137476 /nfs/dbraw/zinc/13/74/76/336137476.db2.gz LORSQIOVXPQUBQ-MRXNPFEDSA-N 1 1 318.465 3.719 20 30 DHEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332622445 336176656 /nfs/dbraw/zinc/17/66/56/336176656.db2.gz COXKZNUZJIMOLJ-CZUORRHYSA-N 1 1 310.401 3.619 20 30 DHEDMO C=CC[N@H+](Cc1cnc2cccc(C)n12)Cc1ccc(OC)cc1 ZINC000352376105 336215124 /nfs/dbraw/zinc/21/51/24/336215124.db2.gz KDOQRZJPUSLAEL-UHFFFAOYSA-N 1 1 321.424 3.840 20 30 DHEDMO C=CC[N@@H+](Cc1cnc2cccc(C)n12)Cc1ccc(OC)cc1 ZINC000352376105 336215125 /nfs/dbraw/zinc/21/51/25/336215125.db2.gz KDOQRZJPUSLAEL-UHFFFAOYSA-N 1 1 321.424 3.840 20 30 DHEDMO N#Cc1c(C[N@@H+]2CCC=C(c3ccco3)C2)cn2ccccc12 ZINC000352571629 336225223 /nfs/dbraw/zinc/22/52/23/336225223.db2.gz WYVNSAAPXLZRJW-UHFFFAOYSA-N 1 1 303.365 3.693 20 30 DHEDMO N#Cc1c(C[N@H+]2CCC=C(c3ccco3)C2)cn2ccccc12 ZINC000352571629 336225224 /nfs/dbraw/zinc/22/52/24/336225224.db2.gz WYVNSAAPXLZRJW-UHFFFAOYSA-N 1 1 303.365 3.693 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(-n2cccn2)cc1 ZINC000352702233 336231419 /nfs/dbraw/zinc/23/14/19/336231419.db2.gz ULEXAKGAYDLKBR-UHFFFAOYSA-N 1 1 307.397 3.696 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000532586002 336256703 /nfs/dbraw/zinc/25/67/03/336256703.db2.gz STHPXDVNYDWSRT-UHFFFAOYSA-N 1 1 319.405 3.520 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000532626125 336258056 /nfs/dbraw/zinc/25/80/56/336258056.db2.gz KVJUAFYPJGEXJT-LSDHHAIUSA-N 1 1 316.470 3.803 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000532626123 336258096 /nfs/dbraw/zinc/25/80/96/336258096.db2.gz KVJUAFYPJGEXJT-GJZGRUSLSA-N 1 1 316.470 3.803 20 30 DHEDMO CC[C@H]1CCCC[N@H+]1CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000538506725 336270326 /nfs/dbraw/zinc/27/03/26/336270326.db2.gz UHPQBMKZPNNXMR-PBHICJAKSA-N 1 1 303.425 3.612 20 30 DHEDMO CC[C@H]1CCCCN1CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000538506725 336270327 /nfs/dbraw/zinc/27/03/27/336270327.db2.gz UHPQBMKZPNNXMR-PBHICJAKSA-N 1 1 303.425 3.612 20 30 DHEDMO COCC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccco1 ZINC000542529430 336270445 /nfs/dbraw/zinc/27/04/45/336270445.db2.gz CWJFQDDRRWIAGN-MRXNPFEDSA-N 1 1 303.789 3.652 20 30 DHEDMO Cc1csc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)n1 ZINC000352836465 336272509 /nfs/dbraw/zinc/27/25/09/336272509.db2.gz UTWSBNYTWQXOFM-UHFFFAOYSA-N 1 1 311.332 3.632 20 30 DHEDMO CCC(CC)[C@H](CN[C@@H](C)c1ccc(OCC#N)cc1)[NH+](C)C ZINC000192953887 336285996 /nfs/dbraw/zinc/28/59/96/336285996.db2.gz KENVTQXYWFYAKP-KXBFYZLASA-N 1 1 317.477 3.606 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc(C#N)c(Cl)c2)cn1 ZINC000301281587 336298531 /nfs/dbraw/zinc/29/85/31/336298531.db2.gz XYCSOAMLRNXPNT-UHFFFAOYSA-N 1 1 323.787 3.713 20 30 DHEDMO C[C@H](CNc1ccc(F)cc1C#N)[N@H+]1CCc2sccc2C1 ZINC000301366092 336302745 /nfs/dbraw/zinc/30/27/45/336302745.db2.gz NRPWJUKHRWSNHC-GFCCVEGCSA-N 1 1 315.417 3.618 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(C#N)nc2)cc1 ZINC000301750785 336327669 /nfs/dbraw/zinc/32/76/69/336327669.db2.gz UMMFHGIDAVJTSH-ZDUSSCGKSA-N 1 1 303.369 3.621 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc2cc(C#N)ccc2n1 ZINC000301979650 336341086 /nfs/dbraw/zinc/34/10/86/336341086.db2.gz PDWWMWPWCVBPJM-HNNXBMFYSA-N 1 1 308.429 3.783 20 30 DHEDMO CCC[N@H+]1CC[C@@H](CNc2ccc(C(F)(F)F)cc2C#N)C1 ZINC000301979980 336341105 /nfs/dbraw/zinc/34/11/05/336341105.db2.gz HRUIPBWSCYWWRW-LBPRGKRZSA-N 1 1 311.351 3.721 20 30 DHEDMO CC(=O)c1ccc(C#N)c(NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000302106515 336348730 /nfs/dbraw/zinc/34/87/30/336348730.db2.gz NWFXYFQZRWEENO-HNNXBMFYSA-N 1 1 313.445 3.685 20 30 DHEDMO C=C(C)[C@H](Nc1nc(N(C)C)cc[nH+]1)c1ccc(F)c(F)c1 ZINC000302340609 336357331 /nfs/dbraw/zinc/35/73/31/336357331.db2.gz BQPIJERQTXIURO-HNNXBMFYSA-N 1 1 304.344 3.550 20 30 DHEDMO Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1C#N ZINC000302610366 336362521 /nfs/dbraw/zinc/36/25/21/336362521.db2.gz DUIKRAHXMOZCEN-FUHWJXTLSA-N 1 1 320.440 3.727 20 30 DHEDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1cc(C#N)ccc1C(F)(F)F)C2 ZINC000302611702 336362561 /nfs/dbraw/zinc/36/25/61/336362561.db2.gz BOKCOVHTZNSYKE-GFCCVEGCSA-N 1 1 320.318 3.509 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCO[C@H](C)C1 ZINC000352901256 336375344 /nfs/dbraw/zinc/37/53/44/336375344.db2.gz JDEWNLZESCIYAJ-IAGOWNOFSA-N 1 1 305.466 3.657 20 30 DHEDMO C=C(C)C[N@H+](CCc1csc(C)n1)Cc1cnn(C(C)C)c1 ZINC000352958006 336379231 /nfs/dbraw/zinc/37/92/31/336379231.db2.gz XJWPORZIAZUQLA-UHFFFAOYSA-N 1 1 318.490 3.850 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2cccc(OCCC)c2)CC1 ZINC000106245325 336389111 /nfs/dbraw/zinc/38/91/11/336389111.db2.gz NCIJCZFZKKXOJW-UHFFFAOYSA-N 1 1 302.462 3.606 20 30 DHEDMO C=CCOc1cccc(C[NH2+][C@@H](C)c2c(F)cncc2F)c1 ZINC000353118614 336403159 /nfs/dbraw/zinc/40/31/59/336403159.db2.gz LZSYTKCIZXMWKA-LBPRGKRZSA-N 1 1 304.340 3.775 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)CCn1cc[nH+]c1C(C)C ZINC000357791181 336598757 /nfs/dbraw/zinc/59/87/57/336598757.db2.gz GLKUHYCCJYLQKV-UHFFFAOYSA-N 1 1 317.458 3.673 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)c(F)c1 ZINC000361034421 336734325 /nfs/dbraw/zinc/73/43/25/336734325.db2.gz YDPBFSZALNBRRU-UHFFFAOYSA-N 1 1 316.763 3.575 20 30 DHEDMO N#Cc1c(F)ccc(C[NH2+][C@@H]2CCOc3ccccc32)c1Cl ZINC000370448678 336885167 /nfs/dbraw/zinc/88/51/67/336885167.db2.gz UYDGJAUHDWOTJX-OAHLLOKOSA-N 1 1 316.763 3.964 20 30 DHEDMO C[C@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)CC[C@@H]1C ZINC000122559264 337012961 /nfs/dbraw/zinc/01/29/61/337012961.db2.gz CMVRZWZOTZYYGJ-HOTGVXAUSA-N 1 1 323.440 3.716 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000375618183 337014804 /nfs/dbraw/zinc/01/48/04/337014804.db2.gz MXSJYUNDXMSBNC-GOSISDBHSA-N 1 1 308.429 3.938 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000375618183 337014805 /nfs/dbraw/zinc/01/48/05/337014805.db2.gz MXSJYUNDXMSBNC-GOSISDBHSA-N 1 1 308.429 3.938 20 30 DHEDMO C=CC[C@H](C)NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000123243735 337041296 /nfs/dbraw/zinc/04/12/96/337041296.db2.gz OVJNDMVORLISSH-UONOGXRCSA-N 1 1 312.417 3.506 20 30 DHEDMO C=C(C)CN(C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376823323 337042061 /nfs/dbraw/zinc/04/20/61/337042061.db2.gz OILMLNZFDDWWFZ-MRXNPFEDSA-N 1 1 315.461 3.528 20 30 DHEDMO C[C@H]1[N@@H+](Cc2ccc(Cl)cc2C#N)CCC12CCOCC2 ZINC000376938683 337043853 /nfs/dbraw/zinc/04/38/53/337043853.db2.gz CQEIGAXPFGVQNH-CYBMUJFWSA-N 1 1 304.821 3.603 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000376957589 337044083 /nfs/dbraw/zinc/04/40/83/337044083.db2.gz XGWMMXHQBUWBRG-MJGOQNOKSA-N 1 1 314.473 3.617 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000377132219 337047393 /nfs/dbraw/zinc/04/73/93/337047393.db2.gz XCQFYJZSJWGAME-QHAWAJNXSA-N 1 1 320.436 3.882 20 30 DHEDMO C[N@H+]1CCC[C@@H](CNc2cccnc2C#N)[C@@H]1c1cccs1 ZINC000378062144 337065760 /nfs/dbraw/zinc/06/57/60/337065760.db2.gz SLTFLNDTIHQORP-SUMWQHHRSA-N 1 1 312.442 3.510 20 30 DHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1C[C@H]2CCCCCC[C@H]21 ZINC000378153993 337067238 /nfs/dbraw/zinc/06/72/38/337067238.db2.gz LCEQCTFPYIKQGE-HUUCEWRRSA-N 1 1 317.458 3.603 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000378353584 337070884 /nfs/dbraw/zinc/07/08/84/337070884.db2.gz GEFNDOWNRPFQSL-HXUWFJFHSA-N 1 1 309.457 3.522 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000378574143 337075904 /nfs/dbraw/zinc/07/59/04/337075904.db2.gz GGTDEUIDTBYLDB-HNAYVOBHSA-N 1 1 316.408 3.916 20 30 DHEDMO N#Cc1cccc(C[NH2+][C@H](c2ccncc2)c2ccc(F)cc2)c1 ZINC000171546587 337087997 /nfs/dbraw/zinc/08/79/97/337087997.db2.gz KBDXKSUFXVUCTI-FQEVSTJZSA-N 1 1 317.367 3.972 20 30 DHEDMO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000172352557 337106627 /nfs/dbraw/zinc/10/66/27/337106627.db2.gz ZKIIAAKDSVCKPL-FQEVSTJZSA-N 1 1 308.425 3.577 20 30 DHEDMO N#CCCCC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175452534 337147387 /nfs/dbraw/zinc/14/73/87/337147387.db2.gz VGRYGZDJIBTSNS-OAHLLOKOSA-N 1 1 312.335 3.773 20 30 DHEDMO N#CCCCC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000175452534 337147388 /nfs/dbraw/zinc/14/73/88/337147388.db2.gz VGRYGZDJIBTSNS-OAHLLOKOSA-N 1 1 312.335 3.773 20 30 DHEDMO Cc1sc(NC(=O)C[NH+]2CCC(C(C)C)CC2)c(C#N)c1C ZINC000177309453 337156845 /nfs/dbraw/zinc/15/68/45/337156845.db2.gz MFRZDFFUMAVGBN-UHFFFAOYSA-N 1 1 319.474 3.543 20 30 DHEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000177858963 337160753 /nfs/dbraw/zinc/16/07/53/337160753.db2.gz YLCORRPZCGLLMX-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO C=C(C)C[N@@H+](C)Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000181053737 337179586 /nfs/dbraw/zinc/17/95/86/337179586.db2.gz KEOWMTNACSQPST-UHFFFAOYSA-N 1 1 320.234 3.847 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000181053737 337179587 /nfs/dbraw/zinc/17/95/87/337179587.db2.gz KEOWMTNACSQPST-UHFFFAOYSA-N 1 1 320.234 3.847 20 30 DHEDMO C=CCC[C@@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1ccccc1 ZINC000181757180 337184339 /nfs/dbraw/zinc/18/43/39/337184339.db2.gz RPJNOZRXMWHZTI-QGZVFWFLSA-N 1 1 310.445 3.880 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)c(OCCC(C)C)c1 ZINC000184093322 337196142 /nfs/dbraw/zinc/19/61/42/337196142.db2.gz LQDRHMYVDCTONA-INIZCTEOSA-N 1 1 304.434 3.902 20 30 DHEDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000583028753 337230789 /nfs/dbraw/zinc/23/07/89/337230789.db2.gz UHIGXVAINOLZLN-OAHLLOKOSA-N 1 1 323.396 3.838 20 30 DHEDMO N#CCCC1CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000583082032 337237209 /nfs/dbraw/zinc/23/72/09/337237209.db2.gz BCNOKYDFUYRBPC-UHFFFAOYSA-N 1 1 312.392 3.527 20 30 DHEDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000185621962 337249642 /nfs/dbraw/zinc/24/96/42/337249642.db2.gz NMQQCBBSAJDJBI-KSSFIOAISA-N 1 1 308.429 3.579 20 30 DHEDMO CC#CCCCC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000185869563 337252283 /nfs/dbraw/zinc/25/22/83/337252283.db2.gz YTOCTZYXZMKNPT-GOSISDBHSA-N 1 1 318.505 3.683 20 30 DHEDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2cc(C#N)n(C)c2)cc1 ZINC000191190972 337294561 /nfs/dbraw/zinc/29/45/61/337294561.db2.gz DQDCAWIAMYDXCR-LJQANCHMSA-N 1 1 309.413 3.633 20 30 DHEDMO CCN(C)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cn1 ZINC000191233233 337295033 /nfs/dbraw/zinc/29/50/33/337295033.db2.gz PODBQLYKIRBULB-UHFFFAOYSA-N 1 1 322.456 3.820 20 30 DHEDMO C[C@@H]1SCC[N@@H+](Cc2cc(C#N)n(C)c2)[C@H]1c1ccccc1 ZINC000191384115 337296425 /nfs/dbraw/zinc/29/64/25/337296425.db2.gz JRTWUYWRICAFCD-KBXCAEBGSA-N 1 1 311.454 3.575 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)c(F)c1 ZINC000191969547 337301547 /nfs/dbraw/zinc/30/15/47/337301547.db2.gz AWRUSYYVXSGIRG-UHFFFAOYSA-N 1 1 307.372 3.980 20 30 DHEDMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000583310373 337313495 /nfs/dbraw/zinc/31/34/95/337313495.db2.gz PJPPRWMEZDEUAO-GXTWGEPZSA-N 1 1 312.335 3.708 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000399245652 337314512 /nfs/dbraw/zinc/31/45/12/337314512.db2.gz KAGMEFXHIYWYLH-OAQYLSRUSA-N 1 1 320.436 3.791 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1c(C)cccc1C ZINC000532934976 337393368 /nfs/dbraw/zinc/39/33/68/337393368.db2.gz AQKLIGOGBAWPOC-UHFFFAOYSA-N 1 1 322.452 3.973 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1c(C)cccc1C ZINC000532934976 337393369 /nfs/dbraw/zinc/39/33/69/337393369.db2.gz AQKLIGOGBAWPOC-UHFFFAOYSA-N 1 1 322.452 3.973 20 30 DHEDMO CC(C)(C#N)CC[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000119941994 337395219 /nfs/dbraw/zinc/39/52/19/337395219.db2.gz RNXKGEOHJZOOFX-UHFFFAOYSA-N 1 1 314.355 3.548 20 30 DHEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000126003187 337414879 /nfs/dbraw/zinc/41/48/79/337414879.db2.gz YESOMLBZRVFHCZ-VXGBXAGGSA-N 1 1 311.307 3.679 20 30 DHEDMO COC[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1cccc(Cl)c1 ZINC000564123305 337471173 /nfs/dbraw/zinc/47/11/73/337471173.db2.gz HUEUVUFOZVRRBH-MRXNPFEDSA-N 1 1 318.779 3.828 20 30 DHEDMO COC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(Cl)c1 ZINC000564124433 337471183 /nfs/dbraw/zinc/47/11/83/337471183.db2.gz PWYWHAPYZCEFLM-KRWDZBQOSA-N 1 1 318.779 3.828 20 30 DHEDMO N#Cc1ccc(N2CCC(Nc3cc(C4CC4)cc[nH+]3)CC2)cc1 ZINC000514820836 337971332 /nfs/dbraw/zinc/97/13/32/337971332.db2.gz QVRILPQSJZVIKD-UHFFFAOYSA-N 1 1 318.424 3.912 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1cc(C(=O)OC)oc1CC ZINC000426396603 338030524 /nfs/dbraw/zinc/03/05/24/338030524.db2.gz OCVBGPCYBCQCOC-UHFFFAOYSA-N 1 1 319.426 3.878 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc(C(=O)OC)oc1CC ZINC000426396603 338030525 /nfs/dbraw/zinc/03/05/25/338030525.db2.gz OCVBGPCYBCQCOC-UHFFFAOYSA-N 1 1 319.426 3.878 20 30 DHEDMO C=CCC(C)(C)C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000429842488 338036629 /nfs/dbraw/zinc/03/66/29/338036629.db2.gz TUDDWCLOSWEPCA-GOSISDBHSA-N 1 1 314.473 3.542 20 30 DHEDMO CN(c1ccccc1)C1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428197740 338042158 /nfs/dbraw/zinc/04/21/58/338042158.db2.gz AWCCUXQNYJOXKM-UHFFFAOYSA-N 1 1 323.415 3.798 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000428849282 338062134 /nfs/dbraw/zinc/06/21/34/338062134.db2.gz KWMQTAJGBLURBY-QGZVFWFLSA-N 1 1 302.462 3.883 20 30 DHEDMO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)c1ccccc1 ZINC000428851556 338062392 /nfs/dbraw/zinc/06/23/92/338062392.db2.gz RXUDLVLIWRZOTC-APWZRJJASA-N 1 1 315.461 3.512 20 30 DHEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)[C@H]1OCCc2sccc21 ZINC000429145899 338071970 /nfs/dbraw/zinc/07/19/70/338071970.db2.gz VYJPELYOWMPUBX-APPDUMDISA-N 1 1 316.401 3.551 20 30 DHEDMO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]CC1(C#N)CC1 ZINC000429300761 338077333 /nfs/dbraw/zinc/07/73/33/338077333.db2.gz JIVWUCLTSVULEQ-CQSZACIVSA-N 1 1 319.246 3.966 20 30 DHEDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2Br)C1 ZINC000429577333 338084835 /nfs/dbraw/zinc/08/48/35/338084835.db2.gz FOCPHBLACRITSI-SMDDNHRTSA-N 1 1 307.235 3.941 20 30 DHEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000429705353 338087750 /nfs/dbraw/zinc/08/77/50/338087750.db2.gz CZARRTYZCMZJLH-MRXNPFEDSA-N 1 1 313.445 3.842 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000429895547 338091670 /nfs/dbraw/zinc/09/16/70/338091670.db2.gz LWPIAKMUTQLWFB-DOTOQJQBSA-N 1 1 300.446 3.540 20 30 DHEDMO CC1=C[C@H](C)C[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000430283026 338104161 /nfs/dbraw/zinc/10/41/61/338104161.db2.gz HOCSTASWJXGFBN-NSHDSACASA-N 1 1 305.219 3.719 20 30 DHEDMO CC1=C[C@H](C)C[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000430283026 338104162 /nfs/dbraw/zinc/10/41/62/338104162.db2.gz HOCSTASWJXGFBN-NSHDSACASA-N 1 1 305.219 3.719 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000430294275 338104584 /nfs/dbraw/zinc/10/45/84/338104584.db2.gz GBEUUDVZMNIRBE-DLBZAZTESA-N 1 1 300.446 3.716 20 30 DHEDMO C[C@@H]1CC2(CCC2)C[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000433028074 338177256 /nfs/dbraw/zinc/17/72/56/338177256.db2.gz XYJGLYXDKMMGRV-OAHLLOKOSA-N 1 1 320.440 3.723 20 30 DHEDMO Cc1ccn(C2CC[NH+](CC#Cc3ccccc3Cl)CC2)n1 ZINC000434509832 338219025 /nfs/dbraw/zinc/21/90/25/338219025.db2.gz UCVYZWNFLVHPDJ-UHFFFAOYSA-N 1 1 313.832 3.534 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435131909 338233009 /nfs/dbraw/zinc/23/30/09/338233009.db2.gz GJCJTUOPKCXLOF-UHFFFAOYSA-N 1 1 300.406 3.822 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(-c2cc[nH]n2)o1 ZINC000435131909 338233010 /nfs/dbraw/zinc/23/30/10/338233010.db2.gz GJCJTUOPKCXLOF-UHFFFAOYSA-N 1 1 300.406 3.822 20 30 DHEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000435447009 338240317 /nfs/dbraw/zinc/24/03/17/338240317.db2.gz DVPPKADAHMXWQT-KRWDZBQOSA-N 1 1 313.445 3.787 20 30 DHEDMO Cc1[nH+]ccn1-c1ccccc1CNc1c(C#N)cccc1C#N ZINC000436307689 338268107 /nfs/dbraw/zinc/26/81/07/338268107.db2.gz LCGLWQCDORGFTG-UHFFFAOYSA-N 1 1 313.364 3.536 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2c(C#N)cccc2C#N)C1 ZINC000436317716 338268881 /nfs/dbraw/zinc/26/88/81/338268881.db2.gz NFHYXSKRFZUKBR-HNAYVOBHSA-N 1 1 316.408 3.677 20 30 DHEDMO C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437436331 338310082 /nfs/dbraw/zinc/31/00/82/338310082.db2.gz XZIZMFVGKJXLRV-UHFFFAOYSA-N 1 1 302.324 3.792 20 30 DHEDMO N#Cc1c(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)cn2ccccc12 ZINC000437536152 338312896 /nfs/dbraw/zinc/31/28/96/338312896.db2.gz MWRBRMFJACAEMU-QZTJIDSGSA-N 1 1 311.454 3.671 20 30 DHEDMO N#Cc1c(C[N@H+]2CC[C@H]2Cc2ccccc2)cn2ccccc12 ZINC000437829579 338322789 /nfs/dbraw/zinc/32/27/89/338322789.db2.gz SIZHZDCTUKHDJX-SFHVURJKSA-N 1 1 301.393 3.628 20 30 DHEDMO CCC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000438062774 338329512 /nfs/dbraw/zinc/32/95/12/338329512.db2.gz XOCYEHYRKPDBOI-OTWHNJEPSA-N 1 1 315.432 3.703 20 30 DHEDMO OCCC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCc2ccccc21 ZINC000438125863 338333595 /nfs/dbraw/zinc/33/35/95/338333595.db2.gz JBIBMPBIFWAIDS-OAQYLSRUSA-N 1 1 323.411 3.549 20 30 DHEDMO CC1(C)[C@@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C[C@@H]21 ZINC000438175997 338334899 /nfs/dbraw/zinc/33/48/99/338334899.db2.gz QCIAAJPEYKCLND-GASCZTMLSA-N 1 1 309.331 3.525 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000438484619 338345722 /nfs/dbraw/zinc/34/57/22/338345722.db2.gz RORWHVUPIZIGRZ-OAHLLOKOSA-N 1 1 318.486 3.881 20 30 DHEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C1CCN(c2ccccc2)CC1 ZINC000439011137 338358400 /nfs/dbraw/zinc/35/84/00/338358400.db2.gz YBOVXWCATLEPBZ-UHFFFAOYSA-N 1 1 322.427 3.778 20 30 DHEDMO Clc1ccccc1C#CC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000439281030 338365929 /nfs/dbraw/zinc/36/59/29/338365929.db2.gz FQRAHEZSKVOGCN-SFHVURJKSA-N 1 1 303.833 3.583 20 30 DHEDMO CSCCC[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000439473323 338370709 /nfs/dbraw/zinc/37/07/09/338370709.db2.gz VCMGIEQEZJWKPS-UHFFFAOYSA-N 1 1 313.264 3.506 20 30 DHEDMO CSCCC[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000439473323 338370710 /nfs/dbraw/zinc/37/07/10/338370710.db2.gz VCMGIEQEZJWKPS-UHFFFAOYSA-N 1 1 313.264 3.506 20 30 DHEDMO CCOC(=O)[C@H](CCC(C)(C)C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449241778 338605857 /nfs/dbraw/zinc/60/58/57/338605857.db2.gz ULSNNKDQTRLJCM-CSLYMUCUSA-N 1 1 308.466 3.806 20 30 DHEDMO C=CCC1(CNC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)CCCC1 ZINC000459056265 339012320 /nfs/dbraw/zinc/01/23/20/339012320.db2.gz WIWGQNZTUMFNSG-SJORKVTESA-N 1 1 321.509 3.637 20 30 DHEDMO CC[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000459306054 339020487 /nfs/dbraw/zinc/02/04/87/339020487.db2.gz PTOLJDZCCIBRLA-CYBMUJFWSA-N 1 1 322.412 3.514 20 30 DHEDMO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459438110 339029315 /nfs/dbraw/zinc/02/93/15/339029315.db2.gz CMPPDZBWLWAMLP-LBPRGKRZSA-N 1 1 315.295 3.533 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459545188 339035080 /nfs/dbraw/zinc/03/50/80/339035080.db2.gz GGNVSEKTDNFKFC-MRXNPFEDSA-N 1 1 315.461 3.659 20 30 DHEDMO N#CC1(CCC[N@H+]2CCc3cccc(Cl)c3C2)CCOCC1 ZINC000459698347 339043485 /nfs/dbraw/zinc/04/34/85/339043485.db2.gz YWKJUYVASKIWNB-UHFFFAOYSA-N 1 1 318.848 3.799 20 30 DHEDMO O[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C1CCCC1 ZINC000459789846 339048855 /nfs/dbraw/zinc/04/88/55/339048855.db2.gz GBRYYLOAOIKBSJ-PKOBYXMFSA-N 1 1 317.860 3.565 20 30 DHEDMO C=CCC[C@@H](CCC)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000462855603 339094327 /nfs/dbraw/zinc/09/43/27/339094327.db2.gz NZSUXPWOXRREFR-MJGOQNOKSA-N 1 1 302.462 3.800 20 30 DHEDMO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)ccc1C#N ZINC000463201985 339109168 /nfs/dbraw/zinc/10/91/68/339109168.db2.gz XARKGJKYGMRSMO-XUVXKRRUSA-N 1 1 312.457 3.772 20 30 DHEDMO CC(C)[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCOC1 ZINC000463232750 339110698 /nfs/dbraw/zinc/11/06/98/339110698.db2.gz IRSRUXYDFZYFRQ-INIZCTEOSA-N 1 1 311.347 3.556 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000466649169 339211836 /nfs/dbraw/zinc/21/18/36/339211836.db2.gz YBAABFKCYYIZRD-QGZVFWFLSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000467294573 339230135 /nfs/dbraw/zinc/23/01/35/339230135.db2.gz AISMUUKFNNPINU-CVEARBPZSA-N 1 1 310.441 3.913 20 30 DHEDMO C=CCC[N@H+](C)[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000467295829 339230312 /nfs/dbraw/zinc/23/03/12/339230312.db2.gz VHTWSUBOZVNDGM-LJQANCHMSA-N 1 1 324.424 3.883 20 30 DHEDMO C=CCC[N@H+](C)[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000467302358 339230509 /nfs/dbraw/zinc/23/05/09/339230509.db2.gz YPQIMKNBSNPUHC-IBGZPJMESA-N 1 1 324.424 3.883 20 30 DHEDMO COc1c(C)cc(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)cc1C ZINC000468272908 339258484 /nfs/dbraw/zinc/25/84/84/339258484.db2.gz PZFAEPJPTQKTMR-UHFFFAOYSA-N 1 1 312.388 3.955 20 30 DHEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000469031385 339278110 /nfs/dbraw/zinc/27/81/10/339278110.db2.gz QCXJZTCMMNFCKB-UHFFFAOYSA-N 1 1 310.372 3.783 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)ccc1F ZINC000469471676 339290713 /nfs/dbraw/zinc/29/07/13/339290713.db2.gz AVAKIZXLNLPPSV-CYBMUJFWSA-N 1 1 316.326 3.965 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]Cc1nc2cc(C)ccc2n1C ZINC000470535711 339321638 /nfs/dbraw/zinc/32/16/38/339321638.db2.gz HVVNQPJHJCMBNS-UHFFFAOYSA-N 1 1 321.424 3.736 20 30 DHEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000470941670 339331984 /nfs/dbraw/zinc/33/19/84/339331984.db2.gz XVPGKROAOIWHAN-BXKDBHETSA-N 1 1 302.727 3.984 20 30 DHEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000470941670 339331985 /nfs/dbraw/zinc/33/19/85/339331985.db2.gz XVPGKROAOIWHAN-BXKDBHETSA-N 1 1 302.727 3.984 20 30 DHEDMO CC[N@@H+](CCCC(C)(C)C#N)[C@@H](COC)Cc1ccccc1 ZINC000472356557 339370823 /nfs/dbraw/zinc/37/08/23/339370823.db2.gz SPZUTWFWOUJDQO-GOSISDBHSA-N 1 1 302.462 3.896 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000473117612 339381404 /nfs/dbraw/zinc/38/14/04/339381404.db2.gz HDJZSJBZPJWXRQ-OAQYLSRUSA-N 1 1 321.420 3.883 20 30 DHEDMO Cc1ccc(F)cc1C[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000491857394 339885349 /nfs/dbraw/zinc/88/53/49/339885349.db2.gz VATIJLWYGHMDJF-FQEVSTJZSA-N 1 1 323.415 3.517 20 30 DHEDMO CC(C)[N@@H+](CCC#N)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496730030 340011491 /nfs/dbraw/zinc/01/14/91/340011491.db2.gz IEDZOPGETJPVCP-JKSUJKDBSA-N 1 1 323.481 3.646 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000498937632 340026629 /nfs/dbraw/zinc/02/66/29/340026629.db2.gz LCOBRRZQDFQEMW-SFHVURJKSA-N 1 1 305.441 3.548 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)NC1CCCCC1 ZINC000499048823 340028344 /nfs/dbraw/zinc/02/83/44/340028344.db2.gz TVZATGNSVOEICS-CQSZACIVSA-N 1 1 306.475 3.574 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)NC1CCCCC1 ZINC000499048823 340028345 /nfs/dbraw/zinc/02/83/45/340028345.db2.gz TVZATGNSVOEICS-CQSZACIVSA-N 1 1 306.475 3.574 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000501208805 340076286 /nfs/dbraw/zinc/07/62/86/340076286.db2.gz ZHJKRCNUMDPHCT-KRWDZBQOSA-N 1 1 324.399 3.771 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NC1CCCCC1 ZINC000502449665 340104039 /nfs/dbraw/zinc/10/40/39/340104039.db2.gz MNBDYOCFDLLOHG-MRXNPFEDSA-N 1 1 300.446 3.512 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NC1CCCCC1 ZINC000502449665 340104040 /nfs/dbraw/zinc/10/40/40/340104040.db2.gz MNBDYOCFDLLOHG-MRXNPFEDSA-N 1 1 300.446 3.512 20 30 DHEDMO Cc1cc(Nc2ccc(C#N)nc2)c[nH+]c1N1CCCC[C@@H]1C ZINC000503281588 340124649 /nfs/dbraw/zinc/12/46/49/340124649.db2.gz LYRDATMMKDQVML-AWEZNQCLSA-N 1 1 307.401 3.779 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000503595489 340131954 /nfs/dbraw/zinc/13/19/54/340131954.db2.gz YIMDSNDBDYGNQF-INIZCTEOSA-N 1 1 310.372 3.566 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2CC)ccc1OC ZINC000505597531 340172248 /nfs/dbraw/zinc/17/22/48/340172248.db2.gz RPVGSCONAKHJLA-WBVHZDCISA-N 1 1 319.445 3.649 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2CC)ccc1OC ZINC000505597531 340172249 /nfs/dbraw/zinc/17/22/49/340172249.db2.gz RPVGSCONAKHJLA-WBVHZDCISA-N 1 1 319.445 3.649 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000505843778 340179418 /nfs/dbraw/zinc/17/94/18/340179418.db2.gz BQEHBDOVYKCRTL-GOSISDBHSA-N 1 1 309.384 3.578 20 30 DHEDMO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(C#N)s3)CC2)c1 ZINC000506431706 340194552 /nfs/dbraw/zinc/19/45/52/340194552.db2.gz JEFVKNYUEWBYRU-UHFFFAOYSA-N 1 1 311.454 3.559 20 30 DHEDMO C=CC[N@H+]1CCC[C@H]1c1ccccc1I ZINC000506475213 340195343 /nfs/dbraw/zinc/19/53/43/340195343.db2.gz TUXZOROZLDWTAV-ZDUSSCGKSA-N 1 1 313.182 3.614 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccccc1I ZINC000506475213 340195344 /nfs/dbraw/zinc/19/53/44/340195344.db2.gz TUXZOROZLDWTAV-ZDUSSCGKSA-N 1 1 313.182 3.614 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC000507022538 340205591 /nfs/dbraw/zinc/20/55/91/340205591.db2.gz OXQGNAWHQUCCHR-GOEBONIOSA-N 1 1 309.388 3.945 20 30 DHEDMO Cc1ccccc1[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000507178254 340211391 /nfs/dbraw/zinc/21/13/91/340211391.db2.gz IAADYQYKLSIWMA-SFHVURJKSA-N 1 1 306.409 3.735 20 30 DHEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000507279184 340216382 /nfs/dbraw/zinc/21/63/82/340216382.db2.gz NQRPMKOXZGPDDA-OAHLLOKOSA-N 1 1 309.388 3.581 20 30 DHEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510576127 340303101 /nfs/dbraw/zinc/30/31/01/340303101.db2.gz BXQMHBITXGEZNC-LJQANCHMSA-N 1 1 314.473 3.556 20 30 DHEDMO C=CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510934160 340315500 /nfs/dbraw/zinc/31/55/00/340315500.db2.gz QNQMOJJVJWTWJD-AWEZNQCLSA-N 1 1 320.399 3.513 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000512055156 340347037 /nfs/dbraw/zinc/34/70/37/340347037.db2.gz XPZYMYXBYYCNAL-UHFFFAOYSA-N 1 1 321.380 3.963 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000512055156 340347038 /nfs/dbraw/zinc/34/70/38/340347038.db2.gz XPZYMYXBYYCNAL-UHFFFAOYSA-N 1 1 321.380 3.963 20 30 DHEDMO C=CC[N@@H+](Cc1ccc2c(c1)CCO2)Cc1cccc(C#N)c1 ZINC000512068891 340347567 /nfs/dbraw/zinc/34/75/67/340347567.db2.gz UTBXHTRIQHJYHJ-UHFFFAOYSA-N 1 1 304.393 3.681 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)cc1 ZINC000512516146 340365092 /nfs/dbraw/zinc/36/50/92/340365092.db2.gz AMTYTJPJQGPNQQ-UHFFFAOYSA-N 1 1 319.408 3.931 20 30 DHEDMO CN(C)c1ccccc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000173582609 340368130 /nfs/dbraw/zinc/36/81/30/340368130.db2.gz UAAUPYDNKGXSCL-UHFFFAOYSA-N 1 1 305.425 3.789 20 30 DHEDMO C[C@@H]([NH2+]CC1(N(C)C)CCCCC1)c1ccc(C#N)cc1F ZINC000512655017 340371294 /nfs/dbraw/zinc/37/12/94/340371294.db2.gz QVQSRCVRGZGZGW-CQSZACIVSA-N 1 1 303.425 3.612 20 30 DHEDMO CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000173881901 340376764 /nfs/dbraw/zinc/37/67/64/340376764.db2.gz GBWAKRAMVVRMBM-UHFFFAOYSA-N 1 1 324.428 3.836 20 30 DHEDMO C[N@@H+](CCCOCc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000404075916 340376922 /nfs/dbraw/zinc/37/69/22/340376922.db2.gz NMARXZKXQKGJJB-UHFFFAOYSA-N 1 1 312.388 3.736 20 30 DHEDMO CCc1ccc([C@H](CO)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000305825548 340389922 /nfs/dbraw/zinc/38/99/22/340389922.db2.gz QUCSNKHTCSHDGK-DJJJIMSYSA-N 1 1 312.388 3.644 20 30 DHEDMO CN(C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1)C(=O)OC(C)(C)C ZINC000174847284 340397519 /nfs/dbraw/zinc/39/75/19/340397519.db2.gz TVFPEMFIPBMNCA-HNNXBMFYSA-N 1 1 323.481 3.505 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000513235554 340398794 /nfs/dbraw/zinc/39/87/94/340398794.db2.gz CQLMBGYAQUBXPV-DNVCBOLYSA-N 1 1 319.408 3.580 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2OC(F)(F)F)c(F)c1 ZINC000066610105 340849090 /nfs/dbraw/zinc/84/90/90/340849090.db2.gz LUUKVYQKJVSUOD-UHFFFAOYSA-N 1 1 324.277 3.886 20 30 DHEDMO CC[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000541741462 340981831 /nfs/dbraw/zinc/98/18/31/340981831.db2.gz KABIVPFMSVVSKK-OAHLLOKOSA-N 1 1 321.346 3.531 20 30 DHEDMO CCC[N@@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000543138161 341033730 /nfs/dbraw/zinc/03/37/30/341033730.db2.gz BZEXPEHPXMNBLJ-UHFFFAOYSA-N 1 1 316.445 3.892 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C)[C@H]2CCSC2)ccc1OC ZINC000130639317 341035684 /nfs/dbraw/zinc/03/56/84/341035684.db2.gz XGFAPVGMRCKFAN-HNNXBMFYSA-N 1 1 307.459 3.587 20 30 DHEDMO Cc1c(Cl)cnc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1C#N ZINC000543206881 341036626 /nfs/dbraw/zinc/03/66/26/341036626.db2.gz DGDYUXICBLVZFX-MRXNPFEDSA-N 1 1 312.804 3.514 20 30 DHEDMO Cc1c(Cl)cnc(N[C@@H]2C[N@H+](C)Cc3ccccc32)c1C#N ZINC000543206881 341036627 /nfs/dbraw/zinc/03/66/27/341036627.db2.gz DGDYUXICBLVZFX-MRXNPFEDSA-N 1 1 312.804 3.514 20 30 DHEDMO COc1ccc(C#N)cc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000543414841 341043277 /nfs/dbraw/zinc/04/32/77/341043277.db2.gz AWWLDHNHNFBBAJ-GOSISDBHSA-N 1 1 321.424 3.643 20 30 DHEDMO COCC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccco1 ZINC000543458646 341045750 /nfs/dbraw/zinc/04/57/50/341045750.db2.gz IWRSTYXMVWEANO-MRXNPFEDSA-N 1 1 303.789 3.652 20 30 DHEDMO Cc1cccc(-c2n[nH]cc2C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000131180309 341064080 /nfs/dbraw/zinc/06/40/80/341064080.db2.gz KOSMRTCRGSTRAN-UHFFFAOYSA-N 1 1 316.408 3.889 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000131784444 341111579 /nfs/dbraw/zinc/11/15/79/341111579.db2.gz JCDVZSZSBBQUIY-SFHVURJKSA-N 1 1 300.446 3.650 20 30 DHEDMO C=CC[N@@H+](CCC(=O)Nc1ccccc1)Cc1cccs1 ZINC000074022357 341125480 /nfs/dbraw/zinc/12/54/80/341125480.db2.gz XKARHRNFIJGUDQ-UHFFFAOYSA-N 1 1 300.427 3.765 20 30 DHEDMO CC[C@H]1C[N@@H+](CCCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000546104352 341154058 /nfs/dbraw/zinc/15/40/58/341154058.db2.gz IVPHASQIRCPTEU-IBGZPJMESA-N 1 1 313.489 3.913 20 30 DHEDMO CC[C@H]1CN(CCCC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000546104352 341154059 /nfs/dbraw/zinc/15/40/59/341154059.db2.gz IVPHASQIRCPTEU-IBGZPJMESA-N 1 1 313.489 3.913 20 30 DHEDMO CC[C@H]1CN(CCCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000546104352 341154060 /nfs/dbraw/zinc/15/40/60/341154060.db2.gz IVPHASQIRCPTEU-IBGZPJMESA-N 1 1 313.489 3.913 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000075863847 341186538 /nfs/dbraw/zinc/18/65/38/341186538.db2.gz RJFVLEUGTDMBTM-QGZVFWFLSA-N 1 1 324.399 3.736 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000075863847 341186539 /nfs/dbraw/zinc/18/65/39/341186539.db2.gz RJFVLEUGTDMBTM-QGZVFWFLSA-N 1 1 324.399 3.736 20 30 DHEDMO COc1ccc(C[C@@H](C)C[N@@H+](C[C@H](C)C#N)C2CC2)cc1F ZINC000547017663 341191747 /nfs/dbraw/zinc/19/17/47/341191747.db2.gz VFZXEYUPVKZLCG-ZIAGYGMSSA-N 1 1 304.409 3.637 20 30 DHEDMO CCC(CC)[C@@H](C[NH2+]Cc1cc(C#N)cs1)N1CCCC1 ZINC000236670202 341193643 /nfs/dbraw/zinc/19/36/43/341193643.db2.gz JEEQOBSEINFSNT-QGZVFWFLSA-N 1 1 305.491 3.610 20 30 DHEDMO C=CCc1cc(C[N@H+](C)[C@@H](CC)CSC)cc(OC)c1O ZINC000564322775 341218139 /nfs/dbraw/zinc/21/81/39/341218139.db2.gz AKTOWVLPHYZVGB-HNNXBMFYSA-N 1 1 309.475 3.703 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152644996 341223313 /nfs/dbraw/zinc/22/33/13/341223313.db2.gz PBXHQTFNUSDFEH-GASCZTMLSA-N 1 1 316.470 3.635 20 30 DHEDMO CCCO[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)CC1 ZINC000135063713 341230201 /nfs/dbraw/zinc/23/02/01/341230201.db2.gz LKHNYGPKPGCTQT-KRWDZBQOSA-N 1 1 305.849 3.973 20 30 DHEDMO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1C#N ZINC000548156972 341250084 /nfs/dbraw/zinc/25/00/84/341250084.db2.gz BQVHOBXPTYSZEF-AWEZNQCLSA-N 1 1 314.816 3.595 20 30 DHEDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1C#N ZINC000548156972 341250085 /nfs/dbraw/zinc/25/00/85/341250085.db2.gz BQVHOBXPTYSZEF-AWEZNQCLSA-N 1 1 314.816 3.595 20 30 DHEDMO C=C(C)C[N@@H+](CCCO[C@H]1CCCCO1)Cc1ccccc1 ZINC000549174097 341287934 /nfs/dbraw/zinc/28/79/34/341287934.db2.gz NAWNELZBUVGVIM-IBGZPJMESA-N 1 1 303.446 3.998 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC[C@@H](C#N)CCC#N)cc1 ZINC000549191362 341288508 /nfs/dbraw/zinc/28/85/08/341288508.db2.gz NWPWVZGARAFLOL-FXAWDEMLSA-N 1 1 324.472 3.594 20 30 DHEDMO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(C#N)cc1F ZINC000551805549 341352504 /nfs/dbraw/zinc/35/25/04/341352504.db2.gz VBCUFCAQZJHTJT-CYBMUJFWSA-N 1 1 305.356 3.909 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000564390088 341382791 /nfs/dbraw/zinc/38/27/91/341382791.db2.gz OBAVERSTLKOHIW-QZTJIDSGSA-N 1 1 306.494 3.846 20 30 DHEDMO CCC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1Cl ZINC000552339008 341387678 /nfs/dbraw/zinc/38/76/78/341387678.db2.gz VRHOYFGGDMJPCH-HIFRSBDPSA-N 1 1 305.853 3.737 20 30 DHEDMO CCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1Cl ZINC000552339008 341387679 /nfs/dbraw/zinc/38/76/79/341387679.db2.gz VRHOYFGGDMJPCH-HIFRSBDPSA-N 1 1 305.853 3.737 20 30 DHEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000249079776 341393336 /nfs/dbraw/zinc/39/33/36/341393336.db2.gz LINANXOFZYVTBS-YXJHDRRASA-N 1 1 320.502 3.850 20 30 DHEDMO C=CC1CC[NH+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)CC1 ZINC000554074692 341442739 /nfs/dbraw/zinc/44/27/39/341442739.db2.gz CEPZMAGUPOEOPF-QGZVFWFLSA-N 1 1 320.502 3.850 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1nnc(C2CC2)s1 ZINC000568604853 341676242 /nfs/dbraw/zinc/67/62/42/341676242.db2.gz YELYEZAKOVYLCL-MRXNPFEDSA-N 1 1 324.453 3.844 20 30 DHEDMO C=CCC[C@@H]([NH2+]Cc1cn(C)nn1)c1ccc(C(F)(F)F)cc1 ZINC000342202225 517327887 /nfs/dbraw/zinc/32/78/87/517327887.db2.gz ACTOQCDEFOKXIG-OAHLLOKOSA-N 1 1 324.350 3.631 20 30 DHEDMO CCn1c(C[NH2+][C@H](C)c2ccc(C#N)cc2)nc2cc(F)ccc21 ZINC000338372083 523196364 /nfs/dbraw/zinc/19/63/64/523196364.db2.gz JMANVYRRCDSANV-CYBMUJFWSA-N 1 1 322.387 3.918 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCSC1 ZINC000356089573 523214280 /nfs/dbraw/zinc/21/42/80/523214280.db2.gz QMMVDHCRQNSMDX-GFCCVEGCSA-N 1 1 300.349 3.514 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186258312 523296942 /nfs/dbraw/zinc/29/69/42/523296942.db2.gz YSJPZYNZNISOHW-UHFFFAOYSA-N 1 1 322.408 3.835 20 30 DHEDMO C[C@H]([N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1)C1(C)CC1 ZINC000180260942 524815444 /nfs/dbraw/zinc/81/54/44/524815444.db2.gz HPFLADIEUIVJFA-AWEZNQCLSA-N 1 1 308.429 3.579 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)cc1OC ZINC000124655204 525249414 /nfs/dbraw/zinc/24/94/14/525249414.db2.gz PEQYKJDAFSZGNF-INIZCTEOSA-N 1 1 312.369 3.506 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)o2)cc1OC ZINC000124655204 525249421 /nfs/dbraw/zinc/24/94/21/525249421.db2.gz PEQYKJDAFSZGNF-INIZCTEOSA-N 1 1 312.369 3.506 20 30 DHEDMO Cc1nc([C@@H]2CCC[N@@H+]2CCOc2cccc(C#N)c2)cs1 ZINC000189785282 527052593 /nfs/dbraw/zinc/05/25/93/527052593.db2.gz FJLNKSNQKMEXCW-KRWDZBQOSA-N 1 1 313.426 3.539 20 30 DHEDMO Cc1nc([C@@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)cs1 ZINC000189785282 527052599 /nfs/dbraw/zinc/05/25/99/527052599.db2.gz FJLNKSNQKMEXCW-KRWDZBQOSA-N 1 1 313.426 3.539 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@@H]2C2CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180026337 527201771 /nfs/dbraw/zinc/20/17/71/527201771.db2.gz IWUXVGSUIORZGO-LJQANCHMSA-N 1 1 320.440 3.723 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000179985961 527203010 /nfs/dbraw/zinc/20/30/10/527203010.db2.gz VXCMEANFAWGFQY-APWZRJJASA-N 1 1 320.440 3.723 20 30 DHEDMO C=CC[NH+]1CCN(c2nc(Cl)cc3cc(C)ccc32)CC1 ZINC001165032100 721869270 /nfs/dbraw/zinc/86/92/70/721869270.db2.gz HJUOWYQIUUSGIV-UHFFFAOYSA-N 1 1 301.821 3.505 20 30 DHEDMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(CC)CCC#N)nc1 ZINC001165048845 721987488 /nfs/dbraw/zinc/98/74/88/721987488.db2.gz PDEVWZAZQNFRIN-KRWDZBQOSA-N 1 1 300.450 3.759 20 30 DHEDMO C=CCCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001209200071 1013079999 /nfs/dbraw/zinc/07/99/99/1013079999.db2.gz AXIHLNHYLYIVGL-HOTGVXAUSA-N 1 1 310.482 3.968 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)Cc2ccsc2)cc(OC)c1O ZINC000120464148 1013264300 /nfs/dbraw/zinc/26/43/00/1013264300.db2.gz CEGSQHZKPLNGNB-UHFFFAOYSA-N 1 1 303.427 3.823 20 30 DHEDMO C=CCCCCC[N@@H+]1CC[C@@H](n2cc(Br)cn2)C1 ZINC001209431687 1013270749 /nfs/dbraw/zinc/27/07/49/1013270749.db2.gz RIMJNNAUJSWJRH-CQSZACIVSA-N 1 1 312.255 3.639 20 30 DHEDMO C=CCCCCCCC[N@@H+]1CC[C@@H](Oc2nccc(C)n2)C1 ZINC001209442289 1013291100 /nfs/dbraw/zinc/29/11/00/1013291100.db2.gz QEQOADVUYHIZQW-QGZVFWFLSA-N 1 1 303.450 3.765 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155202611 1013291158 /nfs/dbraw/zinc/29/11/58/1013291158.db2.gz MPKWQWXENQWDKQ-NSHDSACASA-N 1 1 322.334 3.504 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000155202611 1013291164 /nfs/dbraw/zinc/29/11/64/1013291164.db2.gz MPKWQWXENQWDKQ-NSHDSACASA-N 1 1 322.334 3.504 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc(C#N)ccn1 ZINC000343160365 1013296990 /nfs/dbraw/zinc/29/69/90/1013296990.db2.gz WOMZUHXVUSFZEG-GOSISDBHSA-N 1 1 320.440 3.666 20 30 DHEDMO COCCC[N@@H+](Cc1ccncc1)Cc1c(C)cc(C#N)cc1C ZINC000894463491 1013375171 /nfs/dbraw/zinc/37/51/71/1013375171.db2.gz WUEIWTQFEKWKRC-UHFFFAOYSA-N 1 1 323.440 3.609 20 30 DHEDMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000120821680 1013513344 /nfs/dbraw/zinc/51/33/44/1013513344.db2.gz YCRZZBFJYWHIDX-GOSISDBHSA-N 1 1 322.408 3.913 20 30 DHEDMO Cc1cccc(NCCNc2ccc(C#N)c(C(F)(F)F)c2)[nH+]1 ZINC000427412498 1013537168 /nfs/dbraw/zinc/53/71/68/1013537168.db2.gz JEWKHYDCENYSPW-UHFFFAOYSA-N 1 1 320.318 3.805 20 30 DHEDMO C[C@H]1C[NH+](Cc2ccccc2N=Cc2ccccc2O)C[C@H](C)O1 ZINC000255059893 1013596550 /nfs/dbraw/zinc/59/65/50/1013596550.db2.gz PCOKBDNQYZDBJK-HOTGVXAUSA-N 1 1 324.424 3.752 20 30 DHEDMO CCOc1ccc(C[N@H+](C)Cc2cn3ccccc3c2C#N)cc1 ZINC000141208653 1013663175 /nfs/dbraw/zinc/66/31/75/1013663175.db2.gz XFWDKMWDPSGAFW-UHFFFAOYSA-N 1 1 319.408 3.842 20 30 DHEDMO CCOc1ccc(C[N@@H+](C)Cc2cn3ccccc3c2C#N)cc1 ZINC000141208653 1013663180 /nfs/dbraw/zinc/66/31/80/1013663180.db2.gz XFWDKMWDPSGAFW-UHFFFAOYSA-N 1 1 319.408 3.842 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+](CCC)[C@@H]1CCc2ccccc21 ZINC000520172223 1013667503 /nfs/dbraw/zinc/66/75/03/1013667503.db2.gz YHJYBSQAKSSECU-LJQANCHMSA-N 1 1 314.473 3.811 20 30 DHEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000441181315 1013680637 /nfs/dbraw/zinc/68/06/37/1013680637.db2.gz XWFBCDVWNCOVDO-HNNXBMFYSA-N 1 1 313.828 3.960 20 30 DHEDMO CC#CCC[N@@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445884403 1017996126 /nfs/dbraw/zinc/99/61/26/1017996126.db2.gz HFHIHSFJOWONDI-CQSZACIVSA-N 1 1 308.219 3.618 20 30 DHEDMO CN(c1ccccc1)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000177273399 1013713353 /nfs/dbraw/zinc/71/33/53/1013713353.db2.gz PATGASWSXZHJML-UHFFFAOYSA-N 1 1 323.415 3.798 20 30 DHEDMO Cc1noc(C)c1[C@H](C)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000328689004 1013792034 /nfs/dbraw/zinc/79/20/34/1013792034.db2.gz QGEHAJRTDYEWRJ-GVZPALNKSA-N 1 1 319.449 3.757 20 30 DHEDMO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328686784 1013792176 /nfs/dbraw/zinc/79/21/76/1013792176.db2.gz GMVMYBTUKGMYAD-JKSUJKDBSA-N 1 1 312.417 3.505 20 30 DHEDMO Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328686784 1013792187 /nfs/dbraw/zinc/79/21/87/1013792187.db2.gz GMVMYBTUKGMYAD-JKSUJKDBSA-N 1 1 312.417 3.505 20 30 DHEDMO Cc1noc(C(C)C)c1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000330401766 1013814717 /nfs/dbraw/zinc/81/47/17/1013814717.db2.gz UIBHNHSFDKPSJV-AWEZNQCLSA-N 1 1 307.438 3.531 20 30 DHEDMO CO[C@H](C)c1cccc(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000330446299 1013818726 /nfs/dbraw/zinc/81/87/26/1013818726.db2.gz HNCGRJNLIRWYNV-LSDHHAIUSA-N 1 1 319.449 3.594 20 30 DHEDMO C[C@H]1CCC[C@H](C[N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC001167318626 1013835436 /nfs/dbraw/zinc/83/54/36/1013835436.db2.gz OZBYVZJYZOAPJI-ROUUACIJSA-N 1 1 311.473 3.897 20 30 DHEDMO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000118846900 1013836562 /nfs/dbraw/zinc/83/65/62/1013836562.db2.gz BRARIEYYJUIRCC-HXUWFJFHSA-N 1 1 308.425 3.577 20 30 DHEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2sccc2C#N)CCCC1(C)C ZINC000331311644 1013873503 /nfs/dbraw/zinc/87/35/03/1013873503.db2.gz ZTWJYEWIQSMZHE-CQSZACIVSA-N 1 1 317.458 3.625 20 30 DHEDMO C=CC[C@H]1[N@H+](CC(=O)Nc2sccc2C#N)CCCC1(C)C ZINC000331311644 1013873505 /nfs/dbraw/zinc/87/35/05/1013873505.db2.gz ZTWJYEWIQSMZHE-CQSZACIVSA-N 1 1 317.458 3.625 20 30 DHEDMO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000536345510 1013909921 /nfs/dbraw/zinc/90/99/21/1013909921.db2.gz KXYVASOKVGVMND-HNNXBMFYSA-N 1 1 306.409 3.729 20 30 DHEDMO C=C(C)C[C@@H](C)c1nc(CCCCn2c[nH+]c(C)c2C)no1 ZINC000656037537 1013942773 /nfs/dbraw/zinc/94/27/73/1013942773.db2.gz HYRTWQXSFRNHHE-CYBMUJFWSA-N 1 1 302.422 3.976 20 30 DHEDMO FC(F)(F)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000154129293 1022279271 /nfs/dbraw/zinc/27/92/71/1022279271.db2.gz NYXLXQYZMLIKOU-UHFFFAOYSA-N 1 1 301.739 3.966 20 30 DHEDMO CCn1c2ccccc2nc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000610345142 1013953106 /nfs/dbraw/zinc/95/31/06/1013953106.db2.gz UTYYRAXFBSFIMW-AWEZNQCLSA-N 1 1 304.397 3.779 20 30 DHEDMO CCn1c2ccccc2nc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000610345143 1013953298 /nfs/dbraw/zinc/95/32/98/1013953298.db2.gz UTYYRAXFBSFIMW-CQSZACIVSA-N 1 1 304.397 3.779 20 30 DHEDMO N#Cc1csc(C[NH2+][C@H](CN2CCCC2)c2ccccc2)c1 ZINC000177682974 1013977401 /nfs/dbraw/zinc/97/74/01/1013977401.db2.gz DVQXTSTYFCJQMI-GOSISDBHSA-N 1 1 311.454 3.546 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000610433503 1014095935 /nfs/dbraw/zinc/09/59/35/1014095935.db2.gz OQFRWPYLEGNBGV-LAUBAEHRSA-N 1 1 319.452 3.826 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000610433503 1014095937 /nfs/dbraw/zinc/09/59/37/1014095937.db2.gz OQFRWPYLEGNBGV-LAUBAEHRSA-N 1 1 319.452 3.826 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000610433503 1014095941 /nfs/dbraw/zinc/09/59/41/1014095941.db2.gz OQFRWPYLEGNBGV-LAUBAEHRSA-N 1 1 319.452 3.826 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1F ZINC000361749208 1032081585 /nfs/dbraw/zinc/08/15/85/1032081585.db2.gz JLIPEYXYYIVQMN-HXUWFJFHSA-N 1 1 322.383 3.719 20 30 DHEDMO N#Cc1cccc([C@H](O)C[N@H+](Cc2ccc(F)cc2)CC2CC2)c1 ZINC001167412384 1014176226 /nfs/dbraw/zinc/17/62/26/1014176226.db2.gz KESZKRCLKQUBDB-HXUWFJFHSA-N 1 1 324.399 3.643 20 30 DHEDMO CC(C)[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075747730 1014214314 /nfs/dbraw/zinc/21/43/14/1014214314.db2.gz KTQTZZCSTFCSSP-MRXNPFEDSA-N 1 1 310.401 3.619 20 30 DHEDMO N#Cc1cccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000380193084 1014303787 /nfs/dbraw/zinc/30/37/87/1014303787.db2.gz QCUKTPOAOFNFAW-HMXCVIKNSA-N 1 1 317.436 3.881 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc(F)c(F)c(F)c1 ZINC000177858318 1014459923 /nfs/dbraw/zinc/45/99/23/1014459923.db2.gz SLDYWWUIYGAQCE-SECBINFHSA-N 1 1 308.278 3.965 20 30 DHEDMO CN1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)Cc2ccccc21 ZINC000487402796 1014500428 /nfs/dbraw/zinc/50/04/28/1014500428.db2.gz XGVMRZPLQRSUEB-UHFFFAOYSA-N 1 1 319.452 3.940 20 30 DHEDMO C=CCOc1ccc(CNCC[NH+]2CCCCCC2)cc1Cl ZINC000520951614 1014619479 /nfs/dbraw/zinc/61/94/79/1014619479.db2.gz DGJYWLMRQLNJAS-UHFFFAOYSA-N 1 1 322.880 3.870 20 30 DHEDMO C[C@H](C[N@@H+](C)CCCCC1(C#N)CCC1)NC(=O)OC(C)(C)C ZINC000931335592 1032099154 /nfs/dbraw/zinc/09/91/54/1032099154.db2.gz XZYYWDOLHDYZCT-OAHLLOKOSA-N 1 1 323.481 3.696 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CCOc3cc(F)ccc3C2)CCC1 ZINC000931336212 1032100647 /nfs/dbraw/zinc/10/06/47/1032100647.db2.gz LJVAPNFJFKBIBQ-UHFFFAOYSA-N 1 1 302.393 3.884 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCOc3cc(F)ccc3C2)CCC1 ZINC000931336212 1032100653 /nfs/dbraw/zinc/10/06/53/1032100653.db2.gz LJVAPNFJFKBIBQ-UHFFFAOYSA-N 1 1 302.393 3.884 20 30 DHEDMO COc1cc(C[N@@H+](Cc2cccc(F)c2)C2CC2)ccc1C#N ZINC000442813949 1014741305 /nfs/dbraw/zinc/74/13/05/1014741305.db2.gz SNZPDHGEFKIBNH-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@H]2C)ccc1C#N ZINC000442832968 1014744833 /nfs/dbraw/zinc/74/48/33/1014744833.db2.gz GRDCRGXLWSZONN-RISCZKNCSA-N 1 1 312.335 3.730 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)ccc1C#N ZINC000442878616 1014760181 /nfs/dbraw/zinc/76/01/81/1014760181.db2.gz GWIMULHWDDLOGN-KRWDZBQOSA-N 1 1 310.372 3.695 20 30 DHEDMO Cc1ccccc1[C@H]([C@@H](C)NCc1ccc(C#N)s1)[NH+](C)C ZINC000443002507 1014788144 /nfs/dbraw/zinc/78/81/44/1014788144.db2.gz SUPJEBQJDJHFQM-KDOFPFPSSA-N 1 1 313.470 3.709 20 30 DHEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000487423045 1014795643 /nfs/dbraw/zinc/79/56/43/1014795643.db2.gz VPLFACXBWSBEKZ-ZDUSSCGKSA-N 1 1 300.352 3.899 20 30 DHEDMO C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)[C@H]2CCCC[C@@H]12 ZINC000521816919 1014807989 /nfs/dbraw/zinc/80/79/89/1014807989.db2.gz LBSQQBPSUHYRNQ-SQNIBIBYSA-N 1 1 304.478 3.988 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1 ZINC000521942134 1014844793 /nfs/dbraw/zinc/84/47/93/1014844793.db2.gz YEEFUBHWNXXRSZ-SJLPKXTDSA-N 1 1 303.446 3.767 20 30 DHEDMO C[C@@H](c1cccc(F)c1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000522031243 1014866911 /nfs/dbraw/zinc/86/69/11/1014866911.db2.gz XBMYBWNZNMCNGZ-HNNXBMFYSA-N 1 1 312.388 3.907 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000522069913 1014876815 /nfs/dbraw/zinc/87/68/15/1014876815.db2.gz TVZOCKPRTSVXAD-MRXNPFEDSA-N 1 1 320.864 3.554 20 30 DHEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)C1(C)C ZINC001167473069 1015034253 /nfs/dbraw/zinc/03/42/53/1015034253.db2.gz FTJDIMTZOAHRIK-JKSUJKDBSA-N 1 1 306.837 3.847 20 30 DHEDMO Cc1cc(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C#N)n1 ZINC000308280748 1015058990 /nfs/dbraw/zinc/05/89/90/1015058990.db2.gz SATLSCCMVVIGSX-WMZOPIPTSA-N 1 1 320.440 3.584 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCS[C@@H](C(C)C)C2)c1O ZINC000754738295 1015178044 /nfs/dbraw/zinc/17/80/44/1015178044.db2.gz WESCCZSZACRNJK-QGZVFWFLSA-N 1 1 321.486 3.703 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000895583041 1015211428 /nfs/dbraw/zinc/21/14/28/1015211428.db2.gz IZQMKHNWNUMMGV-OAHLLOKOSA-N 1 1 300.427 3.697 20 30 DHEDMO C[N@H+](Cc1ccccc1)[C@H](CNCc1ccc(C#N)cc1)C1CC1 ZINC000185223511 1015221131 /nfs/dbraw/zinc/22/11/31/1015221131.db2.gz IIWKAIWPYGQKMD-OAQYLSRUSA-N 1 1 319.452 3.558 20 30 DHEDMO C[N@@H+](Cc1ccccc1)[C@H](CNCc1ccc(C#N)cc1)C1CC1 ZINC000185223511 1015221133 /nfs/dbraw/zinc/22/11/33/1015221133.db2.gz IIWKAIWPYGQKMD-OAQYLSRUSA-N 1 1 319.452 3.558 20 30 DHEDMO C=C(C)C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)C(=O)OCC ZINC000895597078 1015224807 /nfs/dbraw/zinc/22/48/07/1015224807.db2.gz DUVRDHWRICSQMV-WXRRBKDZSA-N 1 1 307.356 3.595 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccccc1-n1cncn1 ZINC000684412006 1015290480 /nfs/dbraw/zinc/29/04/80/1015290480.db2.gz PBBKMUSKGJHBIN-UHFFFAOYSA-N 1 1 318.424 3.846 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)c1ccc(F)cc1F ZINC000051262279 1015395536 /nfs/dbraw/zinc/39/55/36/1015395536.db2.gz DHDCCSNNMXKPNL-INIZCTEOSA-N 1 1 309.381 3.748 20 30 DHEDMO CC(C)CC[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000135303806 1015443304 /nfs/dbraw/zinc/44/33/04/1015443304.db2.gz AWBLVJWXQVYBDL-QGZVFWFLSA-N 1 1 313.445 3.787 20 30 DHEDMO CCC[N@@H+](Cc1cnn(C2CCC2)c1)Cc1ccc(C#N)cc1 ZINC000891653682 1015488142 /nfs/dbraw/zinc/48/81/42/1015488142.db2.gz USWKWULOTGVSIY-UHFFFAOYSA-N 1 1 308.429 3.892 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1 ZINC000896233176 1015515807 /nfs/dbraw/zinc/51/58/07/1015515807.db2.gz SXXYNQBKXBCOHH-LKUPVBHCSA-N 1 1 318.420 3.751 20 30 DHEDMO C=C1CCC(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000896351337 1015559035 /nfs/dbraw/zinc/55/90/35/1015559035.db2.gz LHADJDFZFXQJQT-QZTJIDSGSA-N 1 1 318.505 3.846 20 30 DHEDMO C[N@H+](CCC(C)(C)C#N)Cc1cc(Br)ccc1F ZINC000157882655 1015559969 /nfs/dbraw/zinc/55/99/69/1015559969.db2.gz XXMDFISZXDVNFV-UHFFFAOYSA-N 1 1 313.214 3.960 20 30 DHEDMO C[N@@H+](CCC(C)(C)C#N)Cc1cc(Br)ccc1F ZINC000157882655 1015559976 /nfs/dbraw/zinc/55/99/76/1015559976.db2.gz XXMDFISZXDVNFV-UHFFFAOYSA-N 1 1 313.214 3.960 20 30 DHEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC12CCC2 ZINC000329094325 1015639400 /nfs/dbraw/zinc/63/94/00/1015639400.db2.gz BFMQWOOYKLLEHD-OAHLLOKOSA-N 1 1 303.450 3.681 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@H]2NC1CC[NH+](C2CCCC2)CC1 ZINC000341703958 1015685056 /nfs/dbraw/zinc/68/50/56/1015685056.db2.gz CYMSQYAEIBULIE-OAQYLSRUSA-N 1 1 323.484 3.932 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)C1CCCCC1 ZINC000475021414 1015768009 /nfs/dbraw/zinc/76/80/09/1015768009.db2.gz BYKMQJCYNYEANX-HSALFYBXSA-N 1 1 312.457 3.699 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000475023739 1015775187 /nfs/dbraw/zinc/77/51/87/1015775187.db2.gz OIUHMRZQCLKWQM-VAMGGRTRSA-N 1 1 312.457 3.699 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](C)c1ccccc1 ZINC000522663948 1015789154 /nfs/dbraw/zinc/78/91/54/1015789154.db2.gz BDGXTORILVUANM-QGZVFWFLSA-N 1 1 308.425 3.810 20 30 DHEDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)c1 ZINC000535798866 1015828339 /nfs/dbraw/zinc/82/83/39/1015828339.db2.gz MUDUCWIJRVKTSR-OAHLLOKOSA-N 1 1 312.438 3.835 20 30 DHEDMO C=CCC[C@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458226604 1015829800 /nfs/dbraw/zinc/82/98/00/1015829800.db2.gz SVFGJLGGSSRCGC-HKUYNNGSSA-N 1 1 314.473 3.585 20 30 DHEDMO CC(C)CC[C@H]1CCCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000535813578 1015833581 /nfs/dbraw/zinc/83/35/81/1015833581.db2.gz XZLUQAKTAWNPFQ-QGZVFWFLSA-N 1 1 310.445 3.997 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000610859426 1015896004 /nfs/dbraw/zinc/89/60/04/1015896004.db2.gz IGUVHHZRDJDIBE-QGZVFWFLSA-N 1 1 308.429 3.521 20 30 DHEDMO COc1ccc(C[N@@H+]2CCc3cc(F)ccc3[C@H]2C)cc1C#N ZINC000610993534 1015998220 /nfs/dbraw/zinc/99/82/20/1015998220.db2.gz WPKLFOBPAOTYCI-CYBMUJFWSA-N 1 1 310.372 3.825 20 30 DHEDMO COc1ccc(C[N@H+]2CCc3cc(F)ccc3[C@H]2C)cc1C#N ZINC000610993534 1015998228 /nfs/dbraw/zinc/99/82/28/1015998228.db2.gz WPKLFOBPAOTYCI-CYBMUJFWSA-N 1 1 310.372 3.825 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ccc(C#N)c(F)c2)C1 ZINC000361866661 1032134700 /nfs/dbraw/zinc/13/47/00/1032134700.db2.gz WBVJAPCIZJMLCW-RVKKMQEKSA-N 1 1 315.436 3.535 20 30 DHEDMO CCOC(=O)CC[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187715927 1016279516 /nfs/dbraw/zinc/27/95/16/1016279516.db2.gz FOZFXCKTGZJQLL-HOTGVXAUSA-N 1 1 314.429 3.675 20 30 DHEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001167516957 1016286826 /nfs/dbraw/zinc/28/68/26/1016286826.db2.gz LPYUGYPHLSSGCY-UXHICEINSA-N 1 1 308.425 3.545 20 30 DHEDMO COC1CCC(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000892200719 1016419724 /nfs/dbraw/zinc/41/97/24/1016419724.db2.gz HJCYQRLMJDTDRO-HFPIOELMSA-N 1 1 312.457 3.963 20 30 DHEDMO Cn1ncc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1C1CC1 ZINC000892202803 1016423427 /nfs/dbraw/zinc/42/34/27/1016423427.db2.gz UIYHZSLQEMIPPX-MOPGFXCFSA-N 1 1 320.440 3.569 20 30 DHEDMO Cn1ncc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1C1CC1 ZINC000892202803 1016423432 /nfs/dbraw/zinc/42/34/32/1016423432.db2.gz UIYHZSLQEMIPPX-MOPGFXCFSA-N 1 1 320.440 3.569 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000120032812 1016551339 /nfs/dbraw/zinc/55/13/39/1016551339.db2.gz RGIKLEQFPOARSR-MRXNPFEDSA-N 1 1 321.424 3.797 20 30 DHEDMO C[C@H]([N@@H+](C)Cc1cc(C#N)ccc1Br)C1(C)CC1 ZINC000492482855 1036887819 /nfs/dbraw/zinc/88/78/19/1036887819.db2.gz ITPRJGBLVRQMRA-NSHDSACASA-N 1 1 307.235 3.941 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2OC)cc1C ZINC000158230890 1016700472 /nfs/dbraw/zinc/70/04/72/1016700472.db2.gz CILMODQRVRIXGO-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO C=C(C)[C@@H](CC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)OCC ZINC000281755296 1016703585 /nfs/dbraw/zinc/70/35/85/1016703585.db2.gz SZQLNQOITCAUCQ-MRXNPFEDSA-N 1 1 324.852 3.711 20 30 DHEDMO C=CC[C@@H]1CCN1c1cc(C)nc([C@H](C)[N@@H+]2CC[C@H]2CC=C)n1 ZINC000934462541 1016736044 /nfs/dbraw/zinc/73/60/44/1016736044.db2.gz XKDDOKOGYSZLTP-GVDBMIGSSA-N 1 1 312.461 3.651 20 30 DHEDMO C=CC[C@@H]1CCN1c1cc(C)nc([C@H](C)[N@H+]2CC[C@H]2CC=C)n1 ZINC000934462541 1016736051 /nfs/dbraw/zinc/73/60/51/1016736051.db2.gz XKDDOKOGYSZLTP-GVDBMIGSSA-N 1 1 312.461 3.651 20 30 DHEDMO C=CC[C@@H]1CCN1c1cc(C)nc([C@@H](C)[N@@H+]2CC[C@@H]2CC=C)n1 ZINC000934462542 1016736629 /nfs/dbraw/zinc/73/66/29/1016736629.db2.gz XKDDOKOGYSZLTP-IXDOHACOSA-N 1 1 312.461 3.651 20 30 DHEDMO C=CC[C@@H]1CCN1c1cc(C)nc([C@@H](C)[N@H+]2CC[C@@H]2CC=C)n1 ZINC000934462542 1016736639 /nfs/dbraw/zinc/73/66/39/1016736639.db2.gz XKDDOKOGYSZLTP-IXDOHACOSA-N 1 1 312.461 3.651 20 30 DHEDMO CC[N@@H+](CCC1CCN(c2ccnc(C#N)c2)CC1)CC(C)C ZINC000582437232 1016750106 /nfs/dbraw/zinc/75/01/06/1016750106.db2.gz FAZYFBJUZCCVTG-UHFFFAOYSA-N 1 1 314.477 3.538 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)cc1C#N ZINC000347203421 1016781695 /nfs/dbraw/zinc/78/16/95/1016781695.db2.gz PNGDODOUTPJTJF-KDOFPFPSSA-N 1 1 307.397 3.545 20 30 DHEDMO C=CCCC1(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000475107659 1016966563 /nfs/dbraw/zinc/96/65/63/1016966563.db2.gz GBUYENYYRMRWLA-IYBDPMFKSA-N 1 1 306.494 3.606 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C#N)cc1C ZINC000186184128 1017045976 /nfs/dbraw/zinc/04/59/76/1017045976.db2.gz WVLBHLBEXWJLRG-UHFFFAOYSA-N 1 1 301.393 3.927 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000847021835 1032181394 /nfs/dbraw/zinc/18/13/94/1032181394.db2.gz BRLVXNFUFUZADN-UONOGXRCSA-N 1 1 313.376 3.590 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000847021835 1032181404 /nfs/dbraw/zinc/18/14/04/1032181404.db2.gz BRLVXNFUFUZADN-UONOGXRCSA-N 1 1 313.376 3.590 20 30 DHEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2ccc(=O)[nH]c2)cc1 ZINC001168308656 1032189153 /nfs/dbraw/zinc/18/91/53/1032189153.db2.gz RWVHMUSXNJXOQA-SFHVURJKSA-N 1 1 309.413 3.722 20 30 DHEDMO Cc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cs1 ZINC000772960799 1032196286 /nfs/dbraw/zinc/19/62/86/1032196286.db2.gz WKJSJQJWIDUHEG-VXGBXAGGSA-N 1 1 301.415 3.766 20 30 DHEDMO C[C@H](CCN[C@@H]1CCCc2cc(C#N)ccc21)[NH+]1CCCCC1 ZINC000612422580 1032230042 /nfs/dbraw/zinc/23/00/42/1032230042.db2.gz ANJDAHAGRYCATJ-OXQOHEQNSA-N 1 1 311.473 3.790 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)ccc1C#N ZINC000295017726 1032245899 /nfs/dbraw/zinc/24/58/99/1032245899.db2.gz MVDLOGFCGYJRKD-BXUZGUMPSA-N 1 1 312.335 3.730 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CC[C@H](C)C1 ZINC000362170814 1032260543 /nfs/dbraw/zinc/26/05/43/1032260543.db2.gz SSRHTZDBIJSNBI-XJKSGUPXSA-N 1 1 306.837 3.849 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc(OC)c(Cl)c1 ZINC000537613945 1032282600 /nfs/dbraw/zinc/28/26/00/1032282600.db2.gz TXFKSTGYCBGIII-UHFFFAOYSA-N 1 1 306.793 3.567 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@H]2CCc3c(Cl)ccc(OC)c3C2)C1 ZINC001171327120 1032378857 /nfs/dbraw/zinc/37/88/57/1032378857.db2.gz VDSKYQVCBHXUBZ-KBPBESRZSA-N 1 1 303.833 3.551 20 30 DHEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1cccnc1Cl ZINC000772989623 1032379597 /nfs/dbraw/zinc/37/95/97/1032379597.db2.gz XKGVIEDRIUJYFK-CYBMUJFWSA-N 1 1 300.789 3.598 20 30 DHEDMO Cc1nnc(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)[nH]1 ZINC000428344558 1017266462 /nfs/dbraw/zinc/26/64/62/1017266462.db2.gz AKMMOCUQZNJGFM-ZDUSSCGKSA-N 1 1 317.396 3.503 20 30 DHEDMO CN(C)CC1(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CCCC1 ZINC000612829283 1032416543 /nfs/dbraw/zinc/41/65/43/1032416543.db2.gz NPECOFYFXUXZEF-LJQANCHMSA-N 1 1 311.473 3.647 20 30 DHEDMO C[NH+](C)CC1(CN[C@@H]2CCCc3cc(C#N)ccc32)CCCC1 ZINC000612829283 1032416549 /nfs/dbraw/zinc/41/65/49/1032416549.db2.gz NPECOFYFXUXZEF-LJQANCHMSA-N 1 1 311.473 3.647 20 30 DHEDMO CC(C)CO[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000091964277 1032466564 /nfs/dbraw/zinc/46/65/64/1032466564.db2.gz XWBWCJZJZXWPDD-IBGZPJMESA-N 1 1 316.445 3.616 20 30 DHEDMO CCS[C@@H](C)c1noc(C[N@H+](C)CC(C)(C)CCC#N)n1 ZINC000092044625 1032472359 /nfs/dbraw/zinc/47/23/59/1032472359.db2.gz KZJUDPXGRBMSMN-LBPRGKRZSA-N 1 1 310.467 3.645 20 30 DHEDMO CCS[C@@H](C)c1noc(C[N@@H+](C)CC(C)(C)CCC#N)n1 ZINC000092044625 1032472363 /nfs/dbraw/zinc/47/23/63/1032472363.db2.gz KZJUDPXGRBMSMN-LBPRGKRZSA-N 1 1 310.467 3.645 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc2c[nH]nc21 ZINC000092217501 1032482249 /nfs/dbraw/zinc/48/22/49/1032482249.db2.gz KCZVARPEJPGKFC-UHFFFAOYSA-N 1 1 307.397 3.760 20 30 DHEDMO CC(C)CC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccccc1F ZINC000093100867 1032521802 /nfs/dbraw/zinc/52/18/02/1032521802.db2.gz QOGLOYJWSQDJTH-UHFFFAOYSA-N 1 1 314.408 3.978 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccccc1F ZINC000093100867 1032521808 /nfs/dbraw/zinc/52/18/08/1032521808.db2.gz QOGLOYJWSQDJTH-UHFFFAOYSA-N 1 1 314.408 3.978 20 30 DHEDMO C=CCOc1ccccc1[C@@H](C)Nc1nc2[nH]cc(C)c2c[nH+]1 ZINC001171369205 1032523773 /nfs/dbraw/zinc/52/37/73/1032523773.db2.gz MAMDVAXUTGIYEU-CYBMUJFWSA-N 1 1 308.385 3.956 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)cc1OCCCC#N ZINC000093499081 1032541619 /nfs/dbraw/zinc/54/16/19/1032541619.db2.gz YJKYGNDTTNGZAL-HOTGVXAUSA-N 1 1 316.445 3.998 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)[C@H](C)CCSC)cc(OC)c1O ZINC000093558700 1032546043 /nfs/dbraw/zinc/54/60/43/1032546043.db2.gz KDJXUTYNKWXLAO-CYBMUJFWSA-N 1 1 309.475 3.703 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171384210 1032559406 /nfs/dbraw/zinc/55/94/06/1032559406.db2.gz UYQYTLQFLQDRQR-KRWDZBQOSA-N 1 1 312.363 3.826 20 30 DHEDMO C[C@@H]([NH2+]Cc1sncc1Br)c1ccc(C#N)cc1 ZINC000711908963 1012223410 /nfs/dbraw/zinc/22/34/10/1012223410.db2.gz DYGSETCKEIAQKX-SECBINFHSA-N 1 1 322.231 3.628 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](C)CCCCOc1cccc(C(F)(F)F)c1 ZINC000513962540 1012232226 /nfs/dbraw/zinc/23/22/26/1012232226.db2.gz ZLAUNMFGHCKHMR-ZDUSSCGKSA-N 1 1 314.351 3.956 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000153993431 1012257444 /nfs/dbraw/zinc/25/74/44/1012257444.db2.gz DKKRMYHATXKMQV-LJQANCHMSA-N 1 1 307.397 3.559 20 30 DHEDMO C=CCN1CCC([NH2+][C@H](CCC)c2ncccc2Cl)CC1 ZINC000924983451 1012331205 /nfs/dbraw/zinc/33/12/05/1012331205.db2.gz FLIHRARGFNBNHJ-MRXNPFEDSA-N 1 1 307.869 3.816 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1c(C#N)cccc1[N+](=O)[O-] ZINC000425201862 1012350827 /nfs/dbraw/zinc/35/08/27/1012350827.db2.gz BCZVXKQUYWNQLX-CQSZACIVSA-N 1 1 316.405 3.533 20 30 DHEDMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000122880819 1032625758 /nfs/dbraw/zinc/62/57/58/1032625758.db2.gz KBFCSYZLTAIZJN-INIZCTEOSA-N 1 1 321.424 3.807 20 30 DHEDMO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000122880819 1032625763 /nfs/dbraw/zinc/62/57/63/1032625763.db2.gz KBFCSYZLTAIZJN-INIZCTEOSA-N 1 1 321.424 3.807 20 30 DHEDMO CCOC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000425366370 1012496047 /nfs/dbraw/zinc/49/60/47/1012496047.db2.gz PMCXBPODENIEIB-ZDUSSCGKSA-N 1 1 312.369 3.521 20 30 DHEDMO CCOC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000425366370 1012496062 /nfs/dbraw/zinc/49/60/62/1012496062.db2.gz PMCXBPODENIEIB-ZDUSSCGKSA-N 1 1 312.369 3.521 20 30 DHEDMO C=C(C)CC[N@H+](CCC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000274820597 1012709497 /nfs/dbraw/zinc/70/94/97/1012709497.db2.gz YBNWZTRIYFKNEV-UHFFFAOYSA-N 1 1 314.473 3.969 20 30 DHEDMO C[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)[C@H]1C(=O)OC(C)(C)C ZINC000425521621 1012726480 /nfs/dbraw/zinc/72/64/80/1012726480.db2.gz KKDFFNAPYSUNMO-LSDHHAIUSA-N 1 1 308.466 3.759 20 30 DHEDMO CCn1c(C)cc(C(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1C ZINC000425530094 1012727747 /nfs/dbraw/zinc/72/77/47/1012727747.db2.gz DLZVBVSIUMTDMM-OAHLLOKOSA-N 1 1 323.440 3.872 20 30 DHEDMO CCn1c(C)cc(C(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1C ZINC000425530094 1012727766 /nfs/dbraw/zinc/72/77/66/1012727766.db2.gz DLZVBVSIUMTDMM-OAHLLOKOSA-N 1 1 323.440 3.872 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCOCC(F)(F)F ZINC000425538550 1012734135 /nfs/dbraw/zinc/73/41/35/1012734135.db2.gz SDIAOAKQCBGLKS-LBPRGKRZSA-N 1 1 300.324 3.520 20 30 DHEDMO CCc1ccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425529488 1012734264 /nfs/dbraw/zinc/73/42/64/1012734264.db2.gz BWIMEGVWPQIVLI-HNNXBMFYSA-N 1 1 321.424 3.752 20 30 DHEDMO CCc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000425529488 1012734279 /nfs/dbraw/zinc/73/42/79/1012734279.db2.gz BWIMEGVWPQIVLI-HNNXBMFYSA-N 1 1 321.424 3.752 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000425540910 1012742321 /nfs/dbraw/zinc/74/23/21/1012742321.db2.gz VVDFPSPAQRDKRX-CQSZACIVSA-N 1 1 309.369 3.702 20 30 DHEDMO Cn1cc(C[N@H+]2CC[C@@H](CC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000339681261 1012760457 /nfs/dbraw/zinc/76/04/57/1012760457.db2.gz GWZZLTHTMOZHMT-KRWDZBQOSA-N 1 1 320.440 3.581 20 30 DHEDMO C[C@@H](C[NH+]1CCC(C#N)(c2ccccc2F)CC1)C(F)(F)F ZINC001208898063 1012771097 /nfs/dbraw/zinc/77/10/97/1012771097.db2.gz LKEIXDTXASIBLM-LBPRGKRZSA-N 1 1 314.326 3.881 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](O)CC2)cc1 ZINC000339782526 1012866830 /nfs/dbraw/zinc/86/68/30/1012866830.db2.gz OZLNUHRHOFOWJX-IBGZPJMESA-N 1 1 306.409 3.572 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000188285384 1012916531 /nfs/dbraw/zinc/91/65/31/1012916531.db2.gz IBAVIBNDMYPDRG-BEFAXECRSA-N 1 1 316.445 3.621 20 30 DHEDMO C[N@H+](C/C=C\c1ccc(F)cc1)CCOCc1ccc(C#N)cc1 ZINC000517438976 1012985486 /nfs/dbraw/zinc/98/54/86/1012985486.db2.gz OBCCGAMSJFWWNP-IHWYPQMZSA-N 1 1 324.399 3.859 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000342753810 1017173282 /nfs/dbraw/zinc/17/32/82/1017173282.db2.gz QIUPERSGYKENBJ-QKLQHJQFSA-N 1 1 311.473 3.590 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248674579 1017226470 /nfs/dbraw/zinc/22/64/70/1017226470.db2.gz CHYNDAOBSISDMD-QRWLVFNGSA-N 1 1 304.393 3.751 20 30 DHEDMO CCc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000122883645 1017398094 /nfs/dbraw/zinc/39/80/94/1017398094.db2.gz BVJMBDRBDAIUAU-HNNXBMFYSA-N 1 1 321.424 3.752 20 30 DHEDMO CCc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000122883645 1017398100 /nfs/dbraw/zinc/39/81/00/1017398100.db2.gz BVJMBDRBDAIUAU-HNNXBMFYSA-N 1 1 321.424 3.752 20 30 DHEDMO C=C(C)C(=O)OCCNc1ccc([NH+]2CCCCC2)cc1C ZINC001168077605 1017519330 /nfs/dbraw/zinc/51/93/30/1017519330.db2.gz YSSRRYFFEKVBOO-UHFFFAOYSA-N 1 1 302.418 3.517 20 30 DHEDMO C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCCc2scnc21)C(C)C ZINC000623861386 1017537504 /nfs/dbraw/zinc/53/75/04/1017537504.db2.gz WPSUVWDFBIBCIB-HZPDHXFCSA-N 1 1 319.518 3.809 20 30 DHEDMO CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1COc2ccccc2O1 ZINC000444588271 1017577826 /nfs/dbraw/zinc/57/78/26/1017577826.db2.gz DNELDMLKQGVOHO-INIZCTEOSA-N 1 1 316.445 3.868 20 30 DHEDMO CC(C)(CCC#N)C[N@@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000342860088 1017606887 /nfs/dbraw/zinc/60/68/87/1017606887.db2.gz KKKAEKQVROLSFB-UHFFFAOYSA-N 1 1 300.446 3.591 20 30 DHEDMO CC(C)[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC1CCC1 ZINC000444782069 1017661589 /nfs/dbraw/zinc/66/15/89/1017661589.db2.gz JFBVJSMIBRXJIZ-UHFFFAOYSA-N 1 1 319.836 3.661 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2cccc(C(=O)NC)c2)CCCC1(C)C ZINC000444777183 1017673404 /nfs/dbraw/zinc/67/34/04/1017673404.db2.gz DZNNHCDKJQQOHQ-QGZVFWFLSA-N 1 1 300.446 3.613 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2nc(-c3ccco3)no2)CCCC1(C)C ZINC000444795136 1017683696 /nfs/dbraw/zinc/68/36/96/1017683696.db2.gz XGUURQAIHFFGCO-CQSZACIVSA-N 1 1 301.390 3.896 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)cc1F ZINC000857912422 1032717383 /nfs/dbraw/zinc/71/73/83/1032717383.db2.gz BGJFHFZEWXZTHO-AWEZNQCLSA-N 1 1 301.752 3.523 20 30 DHEDMO N#Cc1cc(C(F)(F)F)ccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091479526 1017753168 /nfs/dbraw/zinc/75/31/68/1017753168.db2.gz JUONEGOVXBANKY-NSHDSACASA-N 1 1 320.318 3.684 20 30 DHEDMO N#Cc1ccc(F)c(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c1F ZINC001143174654 1017759641 /nfs/dbraw/zinc/75/96/41/1017759641.db2.gz VAOARALUXTZDOD-ZDUSSCGKSA-N 1 1 308.347 3.941 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000625699569 1017774685 /nfs/dbraw/zinc/77/46/85/1017774685.db2.gz APYBFDJHGSQWGU-LLVKDONJSA-N 1 1 313.228 3.830 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000625699569 1017774700 /nfs/dbraw/zinc/77/47/00/1017774700.db2.gz APYBFDJHGSQWGU-LLVKDONJSA-N 1 1 313.228 3.830 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000625704651 1017784606 /nfs/dbraw/zinc/78/46/06/1017784606.db2.gz ZKEKSNJSCGAGSL-LLVKDONJSA-N 1 1 321.218 3.988 20 30 DHEDMO C=CC[C@H]1CC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000625703076 1017785259 /nfs/dbraw/zinc/78/52/59/1017785259.db2.gz LBTGEVZBPNSVRP-ZDUSSCGKSA-N 1 1 303.431 3.629 20 30 DHEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC001171489292 1032727763 /nfs/dbraw/zinc/72/77/63/1032727763.db2.gz GFNNIEMIFAOVGK-CABCVRRESA-N 1 1 318.848 3.711 20 30 DHEDMO CC(C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000242755123 1017908271 /nfs/dbraw/zinc/90/82/71/1017908271.db2.gz DJCLQAUHDXTFDJ-UHFFFAOYSA-N 1 1 321.424 3.797 20 30 DHEDMO N#Cc1ccccc1N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000137941274 1017964558 /nfs/dbraw/zinc/96/45/58/1017964558.db2.gz DAIQPCYWHXLLBJ-UHFFFAOYSA-N 1 1 317.392 3.627 20 30 DHEDMO C=CC(C)(C)CC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC001128716584 1017979405 /nfs/dbraw/zinc/97/94/05/1017979405.db2.gz LRHMIGYMQZXZIA-SJLPKXTDSA-N 1 1 312.457 3.732 20 30 DHEDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1cccc(C#N)c1 ZINC001167654270 1018078153 /nfs/dbraw/zinc/07/81/53/1018078153.db2.gz YTRWCTGRERGSCP-LJQANCHMSA-N 1 1 305.425 3.789 20 30 DHEDMO C=CC[NH+](CC=C)CC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000674709195 1018116456 /nfs/dbraw/zinc/11/64/56/1018116456.db2.gz HASRPAXGIWTBIK-GOSISDBHSA-N 1 1 300.446 3.564 20 30 DHEDMO C=CCCCCCCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001128848694 1018160794 /nfs/dbraw/zinc/16/07/94/1018160794.db2.gz LVEPJGWSCXBEPB-IBGZPJMESA-N 1 1 314.473 3.761 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)Cc2cc(C#N)ccc2OC)cc1 ZINC000446771371 1018241801 /nfs/dbraw/zinc/24/18/01/1018241801.db2.gz YFSHMCHZZAKPDJ-UHFFFAOYSA-N 1 1 324.424 3.640 20 30 DHEDMO N#Cc1ccc(NC(=O)C[N@@H+](CC2CC2)C2CCCCC2)cc1 ZINC000195740734 1018250284 /nfs/dbraw/zinc/25/02/84/1018250284.db2.gz KYTNNGOCXGCYRH-UHFFFAOYSA-N 1 1 311.429 3.541 20 30 DHEDMO C=CCC(CC=C)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000675151388 1018269985 /nfs/dbraw/zinc/26/99/85/1018269985.db2.gz RJCAWYAETUQIGM-UHFFFAOYSA-N 1 1 309.413 3.565 20 30 DHEDMO CC[C@@H]1CCCCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000525409382 1018284603 /nfs/dbraw/zinc/28/46/03/1018284603.db2.gz WGKZLSULIYAMNN-MRXNPFEDSA-N 1 1 302.418 3.600 20 30 DHEDMO Cc1ccc(C#N)c(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000245707757 1018323721 /nfs/dbraw/zinc/32/37/21/1018323721.db2.gz DRGDXJRNLMKUSS-QFBILLFUSA-N 1 1 320.440 3.727 20 30 DHEDMO Cc1ccc(O[C@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)nc1 ZINC000858039793 1032757042 /nfs/dbraw/zinc/75/70/42/1032757042.db2.gz JLHGVVMWEDGUTA-INIZCTEOSA-N 1 1 301.434 3.563 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000583334518 1018349090 /nfs/dbraw/zinc/34/90/90/1018349090.db2.gz WLIJAHRNCUZDLZ-IBGZPJMESA-N 1 1 310.372 3.508 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000583334518 1018349104 /nfs/dbraw/zinc/34/91/04/1018349104.db2.gz WLIJAHRNCUZDLZ-IBGZPJMESA-N 1 1 310.372 3.508 20 30 DHEDMO CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000441240899 1018367054 /nfs/dbraw/zinc/36/70/54/1018367054.db2.gz CEXNNELCQSOEMD-UHFFFAOYSA-N 1 1 318.380 3.630 20 30 DHEDMO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)Cc1ccccc1 ZINC000441240899 1018367066 /nfs/dbraw/zinc/36/70/66/1018367066.db2.gz CEXNNELCQSOEMD-UHFFFAOYSA-N 1 1 318.380 3.630 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000765148153 1018485268 /nfs/dbraw/zinc/48/52/68/1018485268.db2.gz UABNCYQLYSEMIT-KBXCAEBGSA-N 1 1 322.880 3.809 20 30 DHEDMO C=CCOc1c(Cl)cc(C[NH2+]CC(=C)Cl)cc1OC ZINC000858140553 1032779497 /nfs/dbraw/zinc/77/94/97/1032779497.db2.gz DHFYKGLRZHUKDA-UHFFFAOYSA-N 1 1 302.201 3.756 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC001171571789 1032785883 /nfs/dbraw/zinc/78/58/83/1032785883.db2.gz BMWFOPIQHWNWGG-CYBMUJFWSA-N 1 1 300.789 3.840 20 30 DHEDMO C#C[C@H](C)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000278523078 1018780444 /nfs/dbraw/zinc/78/04/44/1018780444.db2.gz CUCOPDTVJCQIHR-HNNXBMFYSA-N 1 1 313.445 3.594 20 30 DHEDMO CC[N@@H+](Cc1cccc(C(=O)NC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000072959408 1018793904 /nfs/dbraw/zinc/79/39/04/1018793904.db2.gz IBVFTYYWMSJDOD-OAHLLOKOSA-N 1 1 321.424 3.501 20 30 DHEDMO N#Cc1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC000921513748 1018803796 /nfs/dbraw/zinc/80/37/96/1018803796.db2.gz UVSHZRDKGLVKQK-UHFFFAOYSA-N 1 1 311.454 3.505 20 30 DHEDMO Clc1cc(Cl)c(N=NC2CC[N@H+]3CCC[C@H]23)nc1Cl ZINC000765559516 1018923046 /nfs/dbraw/zinc/92/30/46/1018923046.db2.gz KCAXEDYRVPEIJE-SNVBAGLBSA-N 1 1 319.623 3.678 20 30 DHEDMO C[NH+]1C(C)(C)CC(N2CCc3cc(C#N)ccc3C2)CC1(C)C ZINC001171631133 1032795243 /nfs/dbraw/zinc/79/52/43/1032795243.db2.gz FHHHDEBYQMTNCD-UHFFFAOYSA-N 1 1 311.473 3.568 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c(F)c1 ZINC000052866144 1019015889 /nfs/dbraw/zinc/01/58/89/1019015889.db2.gz CDTUBLLBRFTUTQ-LJQANCHMSA-N 1 1 324.399 3.879 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c(F)c1 ZINC000052866144 1019015903 /nfs/dbraw/zinc/01/59/03/1019015903.db2.gz CDTUBLLBRFTUTQ-LJQANCHMSA-N 1 1 324.399 3.879 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@H](c4ccccn4)C3)cc2)CC1 ZINC000825768142 1032801611 /nfs/dbraw/zinc/80/16/11/1032801611.db2.gz BRWCGKARJARIIZ-QGZVFWFLSA-N 1 1 303.409 3.626 20 30 DHEDMO CC[C@@H]([NH2+]Cc1csc([C@H](C)OC)n1)c1ccc(C#N)cc1 ZINC000278686131 1019040483 /nfs/dbraw/zinc/04/04/83/1019040483.db2.gz KDTYZXVZIMVXFS-BLLLJJGKSA-N 1 1 315.442 3.963 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000248627036 1019084265 /nfs/dbraw/zinc/08/42/65/1019084265.db2.gz OVIGNLJUPBLVOD-MSOLQXFVSA-N 1 1 314.473 3.712 20 30 DHEDMO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccccc1Cl ZINC000008173385 1019092474 /nfs/dbraw/zinc/09/24/74/1019092474.db2.gz WTQGFQABAXAXNT-LBPRGKRZSA-N 1 1 313.788 3.501 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)C(C)C ZINC000112657888 1019161294 /nfs/dbraw/zinc/16/12/94/1019161294.db2.gz JLETYRANNCSXST-ZDUSSCGKSA-N 1 1 321.852 3.907 20 30 DHEDMO CO[C@H](C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)c1ccccc1 ZINC000338548245 1019177718 /nfs/dbraw/zinc/17/77/18/1019177718.db2.gz HOXIRLDUDPAGKU-HXUWFJFHSA-N 1 1 306.409 3.910 20 30 DHEDMO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1csc(C#N)c1)CCO2 ZINC000922013312 1019304270 /nfs/dbraw/zinc/30/42/70/1019304270.db2.gz VBFUIMSJMIDKDS-INIZCTEOSA-N 1 1 314.410 3.632 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)cn1 ZINC000611209303 1019411406 /nfs/dbraw/zinc/41/14/06/1019411406.db2.gz OYLDDXSVPXGFME-UHFFFAOYSA-N 1 1 309.413 3.523 20 30 DHEDMO CCOc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)nc1 ZINC000611245258 1019421063 /nfs/dbraw/zinc/42/10/63/1019421063.db2.gz RYDJGDQNJJPICX-UHFFFAOYSA-N 1 1 319.408 3.641 20 30 DHEDMO CCOc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)nc1 ZINC000611245258 1019421066 /nfs/dbraw/zinc/42/10/66/1019421066.db2.gz RYDJGDQNJJPICX-UHFFFAOYSA-N 1 1 319.408 3.641 20 30 DHEDMO CC(C)[N@@H+](C)CC1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000611370356 1019456439 /nfs/dbraw/zinc/45/64/39/1019456439.db2.gz GPZFXNJWKUPGKV-UHFFFAOYSA-N 1 1 322.456 3.663 20 30 DHEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611348020 1019457055 /nfs/dbraw/zinc/45/70/55/1019457055.db2.gz NTJHTKJLZKAZLQ-GDBMZVCRSA-N 1 1 308.429 3.673 20 30 DHEDMO C=C(C)C(C)(C)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC001128346291 1019465766 /nfs/dbraw/zinc/46/57/66/1019465766.db2.gz GHHRWZOQZPKNBN-GOSISDBHSA-N 1 1 314.473 3.616 20 30 DHEDMO C[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)[N@@H+]1CCCC[C@H]1C ZINC000611390645 1019466606 /nfs/dbraw/zinc/46/66/06/1019466606.db2.gz MMNBFGNJQXVKIL-QINHECLXSA-N 1 1 311.473 3.788 20 30 DHEDMO C[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)[N@H+]1CCCC[C@H]1C ZINC000611390645 1019466609 /nfs/dbraw/zinc/46/66/09/1019466609.db2.gz MMNBFGNJQXVKIL-QINHECLXSA-N 1 1 311.473 3.788 20 30 DHEDMO CN(C)CC[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)C(C)(C)C ZINC000611393556 1019468082 /nfs/dbraw/zinc/46/80/82/1019468082.db2.gz WUWABRPVDHMLGU-OALUTQOASA-N 1 1 313.489 3.892 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)cc1 ZINC000922122778 1019474669 /nfs/dbraw/zinc/47/46/69/1019474669.db2.gz PAFRPTGERYUYCV-UHFFFAOYSA-N 1 1 317.820 3.795 20 30 DHEDMO N#CC1(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)CC1 ZINC000611430644 1019480554 /nfs/dbraw/zinc/48/05/54/1019480554.db2.gz UGTYOMHJLDPFCJ-UHFFFAOYSA-N 1 1 315.804 3.964 20 30 DHEDMO CC[N@@H+](Cc1ccoc1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000611518267 1019510362 /nfs/dbraw/zinc/51/03/62/1019510362.db2.gz MMMFMFUGOHLINX-UHFFFAOYSA-N 1 1 320.396 3.574 20 30 DHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000611554785 1019514893 /nfs/dbraw/zinc/51/48/93/1019514893.db2.gz ZCBROHMSEDKZDQ-GWCFXTLKSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000611554785 1019514901 /nfs/dbraw/zinc/51/49/01/1019514901.db2.gz ZCBROHMSEDKZDQ-GWCFXTLKSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000611554892 1019517775 /nfs/dbraw/zinc/51/77/75/1019517775.db2.gz ALOCJSKWYGHUEY-TZMCWYRMSA-N 1 1 312.335 3.600 20 30 DHEDMO C[C@@H]([NH2+]CC(C)(C)CC#N)c1nc(Br)ccc1F ZINC000926569739 1019558708 /nfs/dbraw/zinc/55/87/08/1019558708.db2.gz ULUWOTVERJXGET-SECBINFHSA-N 1 1 314.202 3.574 20 30 DHEDMO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000255848981 1019614188 /nfs/dbraw/zinc/61/41/88/1019614188.db2.gz SFCPPFLPZPVNSQ-UITAMQMPSA-N 1 1 307.353 3.612 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000370096628 1019663274 /nfs/dbraw/zinc/66/32/74/1019663274.db2.gz FRLWBDHOGSKRGH-UWJYYQICSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000370096628 1019663289 /nfs/dbraw/zinc/66/32/89/1019663289.db2.gz FRLWBDHOGSKRGH-UWJYYQICSA-N 1 1 319.452 3.558 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000336845327 1032850787 /nfs/dbraw/zinc/85/07/87/1032850787.db2.gz KOAAENRWLDMHDC-CVEARBPZSA-N 1 1 310.507 3.693 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3(C#N)CCC3)cc2)C1 ZINC000129711086 1032854386 /nfs/dbraw/zinc/85/43/86/1032854386.db2.gz GKSCRUFISUIQCL-HNNXBMFYSA-N 1 1 311.429 3.551 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccnc1C(F)(F)F ZINC000528341106 1019817792 /nfs/dbraw/zinc/81/77/92/1019817792.db2.gz MHFHBRUABYJKOL-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccnc1C(F)(F)F ZINC000528341106 1019817809 /nfs/dbraw/zinc/81/78/09/1019817809.db2.gz MHFHBRUABYJKOL-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO CCCCCCCCCNC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000727938269 1019847275 /nfs/dbraw/zinc/84/72/75/1019847275.db2.gz KDETZGQCESTBNK-UHFFFAOYSA-N 1 1 311.514 3.863 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000685464441 1019847868 /nfs/dbraw/zinc/84/78/68/1019847868.db2.gz ITDAMEXZCDQZGE-MOPGFXCFSA-N 1 1 315.457 3.890 20 30 DHEDMO C[C@H]1C[C@H](NCc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000080338968 1019860018 /nfs/dbraw/zinc/86/00/18/1019860018.db2.gz LPGZSQCHBMLRLK-LAUBAEHRSA-N 1 1 319.452 3.701 20 30 DHEDMO C[C@H]1C[C@H](NCc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000080338968 1019860026 /nfs/dbraw/zinc/86/00/26/1019860026.db2.gz LPGZSQCHBMLRLK-LAUBAEHRSA-N 1 1 319.452 3.701 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@H](C3CC3)C2)cc(OC)c1O ZINC000685476150 1019861153 /nfs/dbraw/zinc/86/11/53/1019861153.db2.gz KRXGMBRUUPTBTH-KRWDZBQOSA-N 1 1 301.430 3.751 20 30 DHEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)c1 ZINC000264155560 1032865216 /nfs/dbraw/zinc/86/52/16/1032865216.db2.gz RCQBCBQFYZJISI-HXUWFJFHSA-N 1 1 322.408 3.935 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccc(Cl)nc1 ZINC000751528388 1019979607 /nfs/dbraw/zinc/97/96/07/1019979607.db2.gz BZXAOZKTFCXMEM-CYBMUJFWSA-N 1 1 314.820 3.655 20 30 DHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2OC)C1 ZINC000154153749 1020076721 /nfs/dbraw/zinc/07/67/21/1020076721.db2.gz SNBIYJSJHMAHIR-HOTGVXAUSA-N 1 1 304.459 3.673 20 30 DHEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000731212341 1020079522 /nfs/dbraw/zinc/07/95/22/1020079522.db2.gz HQWZCRAALXCREB-LJQANCHMSA-N 1 1 322.408 3.935 20 30 DHEDMO C[N@H+](Cc1nc2ccccc2s1)Cc1ccc(OCC#N)cc1 ZINC000731210527 1020080314 /nfs/dbraw/zinc/08/03/14/1020080314.db2.gz PNYNWLHLGKIDHL-UHFFFAOYSA-N 1 1 323.421 3.831 20 30 DHEDMO C[N@@H+](Cc1nc2ccccc2s1)Cc1ccc(OCC#N)cc1 ZINC000731210527 1020080325 /nfs/dbraw/zinc/08/03/25/1020080325.db2.gz PNYNWLHLGKIDHL-UHFFFAOYSA-N 1 1 323.421 3.831 20 30 DHEDMO Oc1cccc(/C=N/C[C@@H]2CCC[N@H+]2CC2CCCCC2)c1O ZINC000731488705 1020110348 /nfs/dbraw/zinc/11/03/48/1020110348.db2.gz PRHXNPFKGHWWPW-RONKMWSCSA-N 1 1 316.445 3.561 20 30 DHEDMO C=CCC[C@H](O)CN1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347723046 1020121090 /nfs/dbraw/zinc/12/10/90/1020121090.db2.gz FCLMLRTWJXUCCT-BBRMVZONSA-N 1 1 319.836 3.680 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347723046 1020121093 /nfs/dbraw/zinc/12/10/93/1020121093.db2.gz FCLMLRTWJXUCCT-BBRMVZONSA-N 1 1 319.836 3.680 20 30 DHEDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000123963215 1020122169 /nfs/dbraw/zinc/12/21/69/1020122169.db2.gz BBIXPLXGMBXFSN-HXUWFJFHSA-N 1 1 306.409 3.572 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c(F)c1 ZINC000154939336 1020169261 /nfs/dbraw/zinc/16/92/61/1020169261.db2.gz QYXMXJSZFUBUBV-SFHVURJKSA-N 1 1 309.388 3.774 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c(F)c1 ZINC000154939220 1020170408 /nfs/dbraw/zinc/17/04/08/1020170408.db2.gz QYXMXJSZFUBUBV-GOSISDBHSA-N 1 1 309.388 3.774 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1C(F)(F)F ZINC000858407623 1032880888 /nfs/dbraw/zinc/88/08/88/1032880888.db2.gz KMXIOQAKPBOMCO-JTQLQIEISA-N 1 1 323.293 3.962 20 30 DHEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2cc(C#N)ccc2OC)cc1 ZINC000124579789 1020198113 /nfs/dbraw/zinc/19/81/13/1020198113.db2.gz FJNLKUZEGWBBQP-AWEZNQCLSA-N 1 1 310.397 3.768 20 30 DHEDMO CC[C@H](C)C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000732206166 1020209096 /nfs/dbraw/zinc/20/90/96/1020209096.db2.gz RMSXKMWMZORPQT-DOTOQJQBSA-N 1 1 315.461 3.608 20 30 DHEDMO Cc1cc([C@@H]2C[N@H+](Cc3ccc(C#N)cc3C)CCO2)ccc1F ZINC000186315761 1020236425 /nfs/dbraw/zinc/23/64/25/1020236425.db2.gz XSOWLHAIDMNNEN-FQEVSTJZSA-N 1 1 324.399 3.888 20 30 DHEDMO Cc1cc([C@@H]2C[N@@H+](Cc3ccc(C#N)cc3C)CCO2)ccc1F ZINC000186315761 1020236432 /nfs/dbraw/zinc/23/64/32/1020236432.db2.gz XSOWLHAIDMNNEN-FQEVSTJZSA-N 1 1 324.399 3.888 20 30 DHEDMO CCCCCCC[C@@H](C)CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732449140 1020239883 /nfs/dbraw/zinc/23/98/83/1020239883.db2.gz JAYPHEQGHRGGMD-AEFFLSMTSA-N 1 1 323.525 3.861 20 30 DHEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2C)o1 ZINC000186333938 1020245513 /nfs/dbraw/zinc/24/55/13/1020245513.db2.gz HCRLHRMJZBZDSC-GOSISDBHSA-N 1 1 310.397 3.943 20 30 DHEDMO CCC1(CC)C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CCS1 ZINC000330909996 1020247543 /nfs/dbraw/zinc/24/75/43/1020247543.db2.gz FIYHPGOXJLCVQM-HNNXBMFYSA-N 1 1 317.458 3.742 20 30 DHEDMO CCC1(CC)C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CCS1 ZINC000330909996 1020247555 /nfs/dbraw/zinc/24/75/55/1020247555.db2.gz FIYHPGOXJLCVQM-HNNXBMFYSA-N 1 1 317.458 3.742 20 30 DHEDMO C=CC[N@@H+](CC1CCCCC1)Cn1nccc1-c1ccncc1 ZINC000732670826 1020266974 /nfs/dbraw/zinc/26/69/74/1020266974.db2.gz MGIYBYGPIJNOAW-UHFFFAOYSA-N 1 1 310.445 3.971 20 30 DHEDMO N#CCCOCC[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000338880202 1020279559 /nfs/dbraw/zinc/27/95/59/1020279559.db2.gz LFSIFTJWGGTONE-MRXNPFEDSA-N 1 1 318.467 3.687 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000280889411 1020312902 /nfs/dbraw/zinc/31/29/02/1020312902.db2.gz DBDJZWCIOUVIRT-UHOSZYNNSA-N 1 1 316.420 3.603 20 30 DHEDMO C#CC[N@H+](CCC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733195786 1020343465 /nfs/dbraw/zinc/34/34/65/1020343465.db2.gz WFKHUQSOLDSKMK-CQSZACIVSA-N 1 1 308.219 3.618 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C)s1)Cc1ccc(C#N)cc1 ZINC000125736626 1020343871 /nfs/dbraw/zinc/34/38/71/1020343871.db2.gz OEKLXBWNUDMJOA-UHFFFAOYSA-N 1 1 300.427 3.577 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000125995754 1020366118 /nfs/dbraw/zinc/36/61/18/1020366118.db2.gz UDZVOTJMLXCZSD-LJQANCHMSA-N 1 1 321.424 3.514 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000123019593 1020404504 /nfs/dbraw/zinc/40/45/04/1020404504.db2.gz RUAFHZPREPCLSQ-LJQANCHMSA-N 1 1 306.409 3.572 20 30 DHEDMO Cc1nccc([C@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000618275953 1020410285 /nfs/dbraw/zinc/41/02/85/1020410285.db2.gz VVQAYCUZXCBKKN-INIZCTEOSA-N 1 1 300.450 3.685 20 30 DHEDMO C[N@H+](Cc1c(C2CC2)nc2sccn12)Cc1ccc(C#N)cc1 ZINC000179682932 1020429779 /nfs/dbraw/zinc/42/97/79/1020429779.db2.gz DADZWGPBBLPXKG-UHFFFAOYSA-N 1 1 322.437 3.777 20 30 DHEDMO C[N@@H+](Cc1c(C2CC2)nc2sccn12)Cc1ccc(C#N)cc1 ZINC000179682932 1020429785 /nfs/dbraw/zinc/42/97/85/1020429785.db2.gz DADZWGPBBLPXKG-UHFFFAOYSA-N 1 1 322.437 3.777 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC001171840490 1032901715 /nfs/dbraw/zinc/90/17/15/1032901715.db2.gz COKCPLKJWSNAJH-ZBFHGGJFSA-N 1 1 320.864 3.633 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000765834663 1020464777 /nfs/dbraw/zinc/46/47/77/1020464777.db2.gz FZANQFJWVDDHRC-KRWDZBQOSA-N 1 1 324.472 3.563 20 30 DHEDMO Cc1nc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)s1 ZINC000347975518 1020473833 /nfs/dbraw/zinc/47/38/33/1020473833.db2.gz SIBWAZDAGIGPQG-UHFFFAOYSA-N 1 1 309.438 3.921 20 30 DHEDMO Cc1nc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)s1 ZINC000347975518 1020473841 /nfs/dbraw/zinc/47/38/41/1020473841.db2.gz SIBWAZDAGIGPQG-UHFFFAOYSA-N 1 1 309.438 3.921 20 30 DHEDMO CC1CCC(O)(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000347976185 1020474207 /nfs/dbraw/zinc/47/42/07/1020474207.db2.gz XXWQNAHGKHTHRR-UHFFFAOYSA-N 1 1 310.441 3.589 20 30 DHEDMO COc1ccc(C[N@@H+](C)CCCC2(C#N)CCOCC2)cc1C ZINC000337140527 1032904727 /nfs/dbraw/zinc/90/47/27/1032904727.db2.gz RFHYEBKNJLEJON-UHFFFAOYSA-N 1 1 316.445 3.536 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+](CC)[C@@H](C)c2cc3ccccc3o2)C1=O ZINC000337146349 1032907511 /nfs/dbraw/zinc/90/75/11/1032907511.db2.gz YGTFDBPHAGIXTH-HOCLYGCPSA-N 1 1 312.413 3.603 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc(F)cc1C#N ZINC000301889430 1020523626 /nfs/dbraw/zinc/52/36/26/1020523626.db2.gz LIVRMNHVPJOMML-INIZCTEOSA-N 1 1 323.415 3.798 20 30 DHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000780384417 1020570242 /nfs/dbraw/zinc/57/02/42/1020570242.db2.gz HZBWYGAPLPDTNF-JSGCOSHPSA-N 1 1 312.335 3.752 20 30 DHEDMO COCC[N@@H+](CCCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000065959218 1020603459 /nfs/dbraw/zinc/60/34/59/1020603459.db2.gz SJXYBOPHYMCAJF-UHFFFAOYSA-N 1 1 308.425 3.639 20 30 DHEDMO CCCCCOc1cc(C[NH2+]CC(C)(C)C#N)ccc1OC ZINC000612585164 1020632661 /nfs/dbraw/zinc/63/26/61/1020632661.db2.gz QAVHNTZOASJSRF-UHFFFAOYSA-N 1 1 304.434 3.904 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001171915802 1032920618 /nfs/dbraw/zinc/92/06/18/1032920618.db2.gz HJHNBLUHJPNDQV-KRWDZBQOSA-N 1 1 322.493 3.922 20 30 DHEDMO CCCCCCCC[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000154357748 1020695410 /nfs/dbraw/zinc/69/54/10/1020695410.db2.gz LXDNLRZIWZHVEA-UHFFFAOYSA-N 1 1 302.422 3.924 20 30 DHEDMO Cc1cc(F)ccc1C[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337222090 1032923091 /nfs/dbraw/zinc/92/30/91/1032923091.db2.gz CSRPBDYRTCFCQU-UHFFFAOYSA-N 1 1 304.409 3.667 20 30 DHEDMO CC(C)CCC(N)=[NH+]OCc1cc(Cl)ccc1OCC#N ZINC000735302741 1020717867 /nfs/dbraw/zinc/71/78/67/1020717867.db2.gz DFGYCMIIIMNBIM-UHFFFAOYSA-N 1 1 309.797 3.677 20 30 DHEDMO Fc1cccc(F)c1N=NC1CC[N@@H+](Cc2ccccc2)C1 ZINC000735614789 1020752165 /nfs/dbraw/zinc/75/21/65/1020752165.db2.gz BMORLDXZWHCPME-UHFFFAOYSA-N 1 1 301.340 3.639 20 30 DHEDMO Cc1cccc(N=NC(C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000735609271 1020752435 /nfs/dbraw/zinc/75/24/35/1020752435.db2.gz RHASQSGTMWZXDF-HXUWFJFHSA-N 1 1 323.440 3.684 20 30 DHEDMO Cc1cccc(N=NC(C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000735609271 1020752444 /nfs/dbraw/zinc/75/24/44/1020752444.db2.gz RHASQSGTMWZXDF-HXUWFJFHSA-N 1 1 323.440 3.684 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000661378568 1020791252 /nfs/dbraw/zinc/79/12/52/1020791252.db2.gz JDKACTNXCHJANV-AWEZNQCLSA-N 1 1 313.401 3.533 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000736629978 1020824275 /nfs/dbraw/zinc/82/42/75/1020824275.db2.gz WMANVNDIMRXHIG-GOSISDBHSA-N 1 1 324.399 3.793 20 30 DHEDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1ccc(F)c(C#N)c1 ZINC000160521910 1020876076 /nfs/dbraw/zinc/87/60/76/1020876076.db2.gz HSJGURZAUIUPQO-UHFFFAOYSA-N 1 1 320.314 3.931 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000739913964 1020924365 /nfs/dbraw/zinc/92/43/65/1020924365.db2.gz DDWXPOUNOSUTEZ-UHFFFAOYSA-N 1 1 314.351 3.999 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000739913964 1020924371 /nfs/dbraw/zinc/92/43/71/1020924371.db2.gz DDWXPOUNOSUTEZ-UHFFFAOYSA-N 1 1 314.351 3.999 20 30 DHEDMO CC(C)C[N@H+]1CC[C@H](CNc2cccc(C(F)F)c2C#N)C1 ZINC000582312002 1020933350 /nfs/dbraw/zinc/93/33/50/1020933350.db2.gz GEYCNFZAJMKQNB-CYBMUJFWSA-N 1 1 307.388 3.886 20 30 DHEDMO CC(C)(C)c1ccc(C#N)c(N2CCC[N@H+](C(C)(C)C)CC2)n1 ZINC000613417414 1020948565 /nfs/dbraw/zinc/94/85/65/1020948565.db2.gz WEIMPMXELIJJGJ-UHFFFAOYSA-N 1 1 314.477 3.561 20 30 DHEDMO CC(C)(CC#N)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000414175306 1020963040 /nfs/dbraw/zinc/96/30/40/1020963040.db2.gz YZMCZMQGDOZUDM-REPLKXPHSA-N 1 1 311.473 3.711 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000613470014 1020977974 /nfs/dbraw/zinc/97/79/74/1020977974.db2.gz AAPBYGQXQADKCZ-KRWDZBQOSA-N 1 1 320.864 3.902 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000613470014 1020977978 /nfs/dbraw/zinc/97/79/78/1020977978.db2.gz AAPBYGQXQADKCZ-KRWDZBQOSA-N 1 1 320.864 3.902 20 30 DHEDMO C[C@@H]1CC(N=Nc2nc(-c3ccccc3)cs2)CC[N@H+]1C ZINC000741462360 1021008003 /nfs/dbraw/zinc/00/80/03/1021008003.db2.gz NPJMQSUNIAKYKH-GFCCVEGCSA-N 1 1 300.431 3.692 20 30 DHEDMO CC[N@H+]1CCC(N=Nc2nc(-c3ccccc3)cs2)[C@H](C)C1 ZINC000741462231 1021008169 /nfs/dbraw/zinc/00/81/69/1021008169.db2.gz LYQUELXWXQNTKQ-CYBMUJFWSA-N 1 1 314.458 3.940 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1ccccc1C ZINC000741780936 1021051640 /nfs/dbraw/zinc/05/16/40/1021051640.db2.gz GSDVHBRBFOXCRQ-HXUWFJFHSA-N 1 1 311.425 3.725 20 30 DHEDMO CCc1ncc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cn1 ZINC000414373316 1021149242 /nfs/dbraw/zinc/14/92/42/1021149242.db2.gz ROPGRRVXUIATHR-UHFFFAOYSA-N 1 1 308.429 3.569 20 30 DHEDMO C=CCCCCC[N@@H+](C)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000089903619 1021197993 /nfs/dbraw/zinc/19/79/93/1021197993.db2.gz FYGGRPZGPRMPJM-UHFFFAOYSA-N 1 1 319.474 3.780 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000089903619 1021197998 /nfs/dbraw/zinc/19/79/98/1021197998.db2.gz FYGGRPZGPRMPJM-UHFFFAOYSA-N 1 1 319.474 3.780 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)C(C)C ZINC000917166748 1021205877 /nfs/dbraw/zinc/20/58/77/1021205877.db2.gz DQFORVRVOXIJSH-UHFFFAOYSA-N 1 1 301.217 3.828 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)C(C)C ZINC000917166748 1021205894 /nfs/dbraw/zinc/20/58/94/1021205894.db2.gz DQFORVRVOXIJSH-UHFFFAOYSA-N 1 1 301.217 3.828 20 30 DHEDMO CC(C)(C)OC(=O)CCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000181601577 1021269816 /nfs/dbraw/zinc/26/98/16/1021269816.db2.gz VZNPXPHBPYRUTI-UHFFFAOYSA-N 1 1 314.429 3.645 20 30 DHEDMO CC1(C)C[C@@H]([NH+]2CCC(S)CC2)CCN1Cc1ccccc1 ZINC001171987795 1032969645 /nfs/dbraw/zinc/96/96/45/1032969645.db2.gz JVPWNXFLCGDIIN-KRWDZBQOSA-N 1 1 318.530 3.824 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@H](C)S1 ZINC000743857942 1021383656 /nfs/dbraw/zinc/38/36/56/1021383656.db2.gz YAPXUHIKVQPMOS-TXEJJXNPSA-N 1 1 310.850 3.568 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)C[C@H](C)S1 ZINC000743857942 1021383673 /nfs/dbraw/zinc/38/36/73/1021383673.db2.gz YAPXUHIKVQPMOS-TXEJJXNPSA-N 1 1 310.850 3.568 20 30 DHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CCCOc2ccc(C#N)cc2)C1 ZINC000743868608 1021390638 /nfs/dbraw/zinc/39/06/38/1021390638.db2.gz DSKTYRSJGAEGJE-FUHWJXTLSA-N 1 1 318.486 3.933 20 30 DHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000744129356 1021441864 /nfs/dbraw/zinc/44/18/64/1021441864.db2.gz PGICWIAKXCVZCI-QAPCUYQASA-N 1 1 308.429 3.890 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1c(O)ccc2ccncc21 ZINC000744146890 1021448266 /nfs/dbraw/zinc/44/82/66/1021448266.db2.gz XVRGBGQGIXFDPF-UHFFFAOYSA-N 1 1 320.367 3.715 20 30 DHEDMO N#CC1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172075642 1032980806 /nfs/dbraw/zinc/98/08/06/1032980806.db2.gz CUCFHGKJWGXIIG-AERCQKQUSA-N 1 1 323.484 3.808 20 30 DHEDMO N#CC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172075642 1032980853 /nfs/dbraw/zinc/98/08/53/1032980853.db2.gz CUCFHGKJWGXIIG-AERCQKQUSA-N 1 1 323.484 3.808 20 30 DHEDMO C[C@H](CN1CCCCCC1)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000480702915 1021461408 /nfs/dbraw/zinc/46/14/08/1021461408.db2.gz XDSMUGHFZJWBQK-HUUCEWRRSA-N 1 1 303.425 3.612 20 30 DHEDMO N#Cc1ccc(C[N@H+](CCC(=O)c2ccccc2)C2CC2)cc1 ZINC000182103084 1021477682 /nfs/dbraw/zinc/47/76/82/1021477682.db2.gz MURIVAZPWOKUTB-UHFFFAOYSA-N 1 1 304.393 3.796 20 30 DHEDMO CC[N@@H+](CCC#N)[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172092457 1032986417 /nfs/dbraw/zinc/98/64/17/1032986417.db2.gz CTDZMXMRUUEOEA-ZSHCYNCHSA-N 1 1 321.465 3.543 20 30 DHEDMO COCC[N@H+](Cc1cccc(C#N)c1F)[C@H](C)c1ccccc1 ZINC000538138137 1032990769 /nfs/dbraw/zinc/99/07/69/1032990769.db2.gz CXICBDVHQJGLSK-OAHLLOKOSA-N 1 1 312.388 3.907 20 30 DHEDMO COCC[N@@H+](Cc1cccc(C#N)c1F)[C@H](C)c1ccccc1 ZINC000538138137 1032990782 /nfs/dbraw/zinc/99/07/82/1032990782.db2.gz CXICBDVHQJGLSK-OAHLLOKOSA-N 1 1 312.388 3.907 20 30 DHEDMO CCCCCCC[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000745703370 1021768619 /nfs/dbraw/zinc/76/86/19/1021768619.db2.gz NRUMUVPPOBQARA-ULQDDVLXSA-N 1 1 311.514 3.765 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000619501926 1021777944 /nfs/dbraw/zinc/77/79/44/1021777944.db2.gz RTWYETAPENDMCZ-UHFFFAOYSA-N 1 1 322.383 3.865 20 30 DHEDMO CC[N@H+](CCc1cc(Cl)c2c(c1)OCCCO2)C[C@@H](C)C#N ZINC000182743607 1021786004 /nfs/dbraw/zinc/78/60/04/1021786004.db2.gz OBTMMKVLQUTJPW-ZDUSSCGKSA-N 1 1 322.836 3.525 20 30 DHEDMO CC[N@@H+](CCc1cc(Cl)c2c(c1)OCCCO2)C[C@@H](C)C#N ZINC000182743607 1021786020 /nfs/dbraw/zinc/78/60/20/1021786020.db2.gz OBTMMKVLQUTJPW-ZDUSSCGKSA-N 1 1 322.836 3.525 20 30 DHEDMO CCCCCCCCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000745855728 1021794311 /nfs/dbraw/zinc/79/43/11/1021794311.db2.gz YCCVNOKFMBGLQC-IRXDYDNUSA-N 1 1 311.514 3.861 20 30 DHEDMO C[N@H+]1CCC[C@@H](CNCC#Cc2ccccc2)[C@H]1c1cccs1 ZINC000893018114 1021803318 /nfs/dbraw/zinc/80/33/18/1021803318.db2.gz CJQAKSRPEAIPQW-ICSRJNTNSA-N 1 1 324.493 3.772 20 30 DHEDMO CN1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H]1c1cccs1 ZINC000893018114 1021803341 /nfs/dbraw/zinc/80/33/41/1021803341.db2.gz CJQAKSRPEAIPQW-ICSRJNTNSA-N 1 1 324.493 3.772 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000152736736 1021808403 /nfs/dbraw/zinc/80/84/03/1021808403.db2.gz ILROAKZSZMIVGU-GJZGRUSLSA-N 1 1 320.502 3.528 20 30 DHEDMO COc1cccc(C[N@H+](C)Cc2ccc(C#N)cc2)c1Cl ZINC001237190089 1021814121 /nfs/dbraw/zinc/81/41/21/1021814121.db2.gz YWCPALIZBSUJEA-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO COc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1Cl ZINC001237190089 1021814134 /nfs/dbraw/zinc/81/41/34/1021814134.db2.gz YWCPALIZBSUJEA-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccccc1 ZINC000746153625 1021879058 /nfs/dbraw/zinc/87/90/58/1021879058.db2.gz SGFCJSFXXARUMN-HXUWFJFHSA-N 1 1 308.425 3.750 20 30 DHEDMO Cc1csc(C(C)(C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000116381560 1033015993 /nfs/dbraw/zinc/01/59/93/1033015993.db2.gz SZCASXQSXLFAAA-ZDUSSCGKSA-N 1 1 315.442 3.767 20 30 DHEDMO C=C(C)COc1cc(C[N@H+](C[C@@H](C)OC)C(C)C)ccc1OC ZINC000556896320 1021931479 /nfs/dbraw/zinc/93/14/79/1021931479.db2.gz BCHOHDMOBXXDFQ-MRXNPFEDSA-N 1 1 321.461 3.895 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CCN(c2cccc(F)c2)CC1 ZINC000365721425 1021944401 /nfs/dbraw/zinc/94/44/01/1021944401.db2.gz WJPVICLKYISGJQ-UHFFFAOYSA-N 1 1 323.415 3.798 20 30 DHEDMO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000852103729 1022076507 /nfs/dbraw/zinc/07/65/07/1022076507.db2.gz PPCKEUVLLSCSSF-ZBEGNZNMSA-N 1 1 303.406 3.797 20 30 DHEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2nc3ccc(C)cc3[nH]2)cc1 ZINC000766376765 1022087963 /nfs/dbraw/zinc/08/79/63/1022087963.db2.gz CILBOBCWHBPZSN-HNNXBMFYSA-N 1 1 319.408 3.734 20 30 DHEDMO C=CC[N@@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000746451082 1022101225 /nfs/dbraw/zinc/10/12/25/1022101225.db2.gz VZGVWNAKGBFUFA-OAHLLOKOSA-N 1 1 301.352 3.505 20 30 DHEDMO CC(C)(C)[N@H+](Cc1ccsc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000852312052 1022103567 /nfs/dbraw/zinc/10/35/67/1022103567.db2.gz SZQDIJMMZKJIQG-KRWDZBQOSA-N 1 1 314.454 3.954 20 30 DHEDMO CCc1ccccc1C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852332085 1022107843 /nfs/dbraw/zinc/10/78/43/1022107843.db2.gz OEAVSCJTPDWZQS-HXUWFJFHSA-N 1 1 305.425 3.701 20 30 DHEDMO CCc1ccccc1C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852332085 1022107847 /nfs/dbraw/zinc/10/78/47/1022107847.db2.gz OEAVSCJTPDWZQS-HXUWFJFHSA-N 1 1 305.425 3.701 20 30 DHEDMO Cc1ccc(C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c(C)c1 ZINC000852330458 1022108326 /nfs/dbraw/zinc/10/83/26/1022108326.db2.gz FNGYAUXMKNTYNW-FQEVSTJZSA-N 1 1 305.425 3.756 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c(C)c1 ZINC000852330458 1022108331 /nfs/dbraw/zinc/10/83/31/1022108331.db2.gz FNGYAUXMKNTYNW-FQEVSTJZSA-N 1 1 305.425 3.756 20 30 DHEDMO CCN(CC)c1ncc(C=[NH+]N[C@H](C)c2ccccc2)s1 ZINC000920386203 1022113411 /nfs/dbraw/zinc/11/34/11/1022113411.db2.gz UBKBTKANGJXRDE-CYBMUJFWSA-N 1 1 302.447 3.674 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C#N)Cc1ccc(Cl)c(F)c1 ZINC001168919099 1022185212 /nfs/dbraw/zinc/18/52/12/1022185212.db2.gz UWTVEJIESDGXEX-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO N#Cc1c(C[N@H+]2CCC[C@H](c3nccs3)C2)cn2ccccc12 ZINC000195442409 1022187622 /nfs/dbraw/zinc/18/76/22/1022187622.db2.gz QFTQGROTGUYLBI-AWEZNQCLSA-N 1 1 322.437 3.647 20 30 DHEDMO Oc1ccc(Cl)cc1/C=N\[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000920944747 1022194239 /nfs/dbraw/zinc/19/42/39/1022194239.db2.gz JFDLHBPMVJFJQM-LELXDKESSA-N 1 1 314.816 3.739 20 30 DHEDMO C=CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659945522 1022231746 /nfs/dbraw/zinc/23/17/46/1022231746.db2.gz AXEYYMAHFPOFEN-QGZVFWFLSA-N 1 1 308.510 3.949 20 30 DHEDMO Oc1ccccc1/C=N\C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000921261689 1022237991 /nfs/dbraw/zinc/23/79/91/1022237991.db2.gz SNXWWEAMWPDARZ-SBGXLDQMSA-N 1 1 308.425 3.723 20 30 DHEDMO Clc1ccc2nc(N=NC3CC[N@H+]4CCC[C@H]34)sc2c1 ZINC000853438909 1022273094 /nfs/dbraw/zinc/27/30/94/1022273094.db2.gz SOBYWKNOQSXZCB-GFCCVEGCSA-N 1 1 306.822 3.586 20 30 DHEDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000853526533 1022287888 /nfs/dbraw/zinc/28/78/88/1022287888.db2.gz SMOXBBNPIIRJIN-ZDUSSCGKSA-N 1 1 302.418 3.521 20 30 DHEDMO CC(C)[N@@H+](C)CC1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000609560411 1022300917 /nfs/dbraw/zinc/30/09/17/1022300917.db2.gz OSBBQSJXFKOTKX-UHFFFAOYSA-N 1 1 305.853 3.768 20 30 DHEDMO C=C1CC(C(=O)N2CC[C@H]3C[N@H+](C[C@H](CC)CCCC)C[C@H]32)C1 ZINC001272708942 1022302689 /nfs/dbraw/zinc/30/26/89/1022302689.db2.gz JHHGUQSTXJCYBE-ZIFCJYIRSA-N 1 1 318.505 3.702 20 30 DHEDMO CCc1ccc(CC[N@@H+](CCOC)Cc2ccc(C#N)cc2)cc1 ZINC000609672046 1022326916 /nfs/dbraw/zinc/32/69/16/1022326916.db2.gz OKRWNACXTQRTIA-UHFFFAOYSA-N 1 1 322.452 3.812 20 30 DHEDMO CCN(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)CC(C)C ZINC000538397507 1033046127 /nfs/dbraw/zinc/04/61/27/1033046127.db2.gz JREOEURBYAYUPP-VQIMIIECSA-N 1 1 301.478 3.965 20 30 DHEDMO C=CCn1ccc2c1nc[nH+]c2N[C@H](C1CCC1)C(F)(F)F ZINC001169282280 1022336632 /nfs/dbraw/zinc/33/66/32/1022336632.db2.gz RWGTYEYWFOSSKH-GFCCVEGCSA-N 1 1 310.323 3.760 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000609916426 1022382548 /nfs/dbraw/zinc/38/25/48/1022382548.db2.gz NUJXWLGZKHHRFX-KRWDZBQOSA-N 1 1 324.399 3.641 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000610002256 1022398913 /nfs/dbraw/zinc/39/89/13/1022398913.db2.gz TXYGRDJSNWARMH-SWLSCSKDSA-N 1 1 312.335 3.663 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000610002257 1022399825 /nfs/dbraw/zinc/39/98/25/1022399825.db2.gz TXYGRDJSNWARMH-WFASDCNBSA-N 1 1 312.335 3.663 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H](C)c2cnccn2)cc1 ZINC001169534327 1022439421 /nfs/dbraw/zinc/43/94/21/1022439421.db2.gz UJRJHNHUWCSUCO-DNVCBOLYSA-N 1 1 308.429 3.973 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001169540650 1022444575 /nfs/dbraw/zinc/44/45/75/1022444575.db2.gz NPRBDHBBXMFLRT-YVWKXTFCSA-N 1 1 314.473 3.616 20 30 DHEDMO CCCC[N@H+](C)CC1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000156244370 1022449892 /nfs/dbraw/zinc/44/98/92/1022449892.db2.gz PTGYCNMLYYYEGX-UHFFFAOYSA-N 1 1 316.464 3.621 20 30 DHEDMO CCCC[N@@H+](C)CC1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000156244370 1022449899 /nfs/dbraw/zinc/44/98/99/1022449899.db2.gz PTGYCNMLYYYEGX-UHFFFAOYSA-N 1 1 316.464 3.621 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000125960261 1033056939 /nfs/dbraw/zinc/05/69/39/1033056939.db2.gz QGGXLFOBTZGRTK-MRXNPFEDSA-N 1 1 315.461 3.512 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000620998431 1022503251 /nfs/dbraw/zinc/50/32/51/1022503251.db2.gz QUKDETNHDCTUAG-GOSISDBHSA-N 1 1 309.409 3.557 20 30 DHEDMO C=CC[N@@H+]([C@@H]1CCCN(C(=O)c2ccccc2)C1)C(C)(C)C ZINC001169786905 1022544675 /nfs/dbraw/zinc/54/46/75/1022544675.db2.gz CCHPNYZUMGMTLG-QGZVFWFLSA-N 1 1 300.446 3.578 20 30 DHEDMO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000179898808 1022569087 /nfs/dbraw/zinc/56/90/87/1022569087.db2.gz BNOZFRUJNBRQEW-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO CC(C)CC[N@H+](CCC#N)Cn1cnc2cc(F)c(F)cc21 ZINC000103460101 1022581664 /nfs/dbraw/zinc/58/16/64/1022581664.db2.gz BGZBSSAFLMNROO-UHFFFAOYSA-N 1 1 306.360 3.534 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)Cn1cnc2cc(F)c(F)cc21 ZINC000103460101 1022581675 /nfs/dbraw/zinc/58/16/75/1022581675.db2.gz BGZBSSAFLMNROO-UHFFFAOYSA-N 1 1 306.360 3.534 20 30 DHEDMO C#CCCC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000766894757 1022606564 /nfs/dbraw/zinc/60/65/64/1022606564.db2.gz GJVPXESLNCXOKG-UHFFFAOYSA-N 1 1 300.377 3.759 20 30 DHEDMO C#CCCC[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000766915245 1022608312 /nfs/dbraw/zinc/60/83/12/1022608312.db2.gz FRDIBNAXHBWPHP-UHFFFAOYSA-N 1 1 307.437 3.874 20 30 DHEDMO C#CCCC[N@H+](CCc1ccc(OC)c(OC)c1)CC(C)C ZINC000766904759 1022611957 /nfs/dbraw/zinc/61/19/57/1022611957.db2.gz BQDLJCFCYPBLFT-UHFFFAOYSA-N 1 1 303.446 3.618 20 30 DHEDMO C#CCCOc1ccc(C[NH2+][C@H](C)c2nc(C)cs2)cc1 ZINC000113334692 1022635024 /nfs/dbraw/zinc/63/50/24/1022635024.db2.gz DGODMCDQPHHTKM-CQSZACIVSA-N 1 1 300.427 3.704 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)OCCCCC#N)cc1)C(C)C ZINC000767316581 1022689011 /nfs/dbraw/zinc/68/90/11/1022689011.db2.gz DXAAWAMSRNJVJZ-UHFFFAOYSA-N 1 1 302.418 3.768 20 30 DHEDMO C#CCOc1ccccc1C[NH2+]Cc1cccc(OC(C)(C)C)n1 ZINC000767417110 1022706493 /nfs/dbraw/zinc/70/64/93/1022706493.db2.gz HNEUBNFMICNBHA-UHFFFAOYSA-N 1 1 324.424 3.561 20 30 DHEDMO COc1cccc(C[N@@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)c1OC ZINC001172311749 1033079765 /nfs/dbraw/zinc/07/97/65/1033079765.db2.gz XKOBNVRWNLEYMX-HNNXBMFYSA-N 1 1 324.424 3.638 20 30 DHEDMO C[N@@H+](CCC(C)(C)C#N)Cc1cccc(OC(F)(F)F)c1 ZINC000538488520 1033081396 /nfs/dbraw/zinc/08/13/96/1033081396.db2.gz JENVNLSVSLFONQ-UHFFFAOYSA-N 1 1 300.324 3.957 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cnc(Cl)s1 ZINC001172314300 1033082885 /nfs/dbraw/zinc/08/28/85/1033082885.db2.gz INEHHHYDWNTECM-LLVKDONJSA-N 1 1 305.834 3.731 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC001172316746 1033084217 /nfs/dbraw/zinc/08/42/17/1033084217.db2.gz WUVNRERVRXWIPM-OXQOHEQNSA-N 1 1 306.409 3.563 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC(=O)[C@@H](C)C12CCCC2 ZINC001172317793 1033084685 /nfs/dbraw/zinc/08/46/85/1033084685.db2.gz UQDOQNHUMYAPQG-HZPDHXFCSA-N 1 1 310.441 3.713 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(-n2cccn2)cc1 ZINC000180848298 1022847321 /nfs/dbraw/zinc/84/73/21/1022847321.db2.gz AECPMPHBRAPDGG-AWEZNQCLSA-N 1 1 320.371 3.734 20 30 DHEDMO CC#CCCCC(=O)O[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000768009388 1022860955 /nfs/dbraw/zinc/86/09/55/1022860955.db2.gz HUAJPVUNMMDDFI-PKOBYXMFSA-N 1 1 313.441 3.634 20 30 DHEDMO C[C@H](NCC(C)(C)[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000538507552 1033086159 /nfs/dbraw/zinc/08/61/59/1033086159.db2.gz MUZCZVUGMUOGBM-GJZGRUSLSA-N 1 1 317.452 3.858 20 30 DHEDMO C[C@H]([NH2+]CC(C)(C)N1CCC[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000538507552 1033086175 /nfs/dbraw/zinc/08/61/75/1033086175.db2.gz MUZCZVUGMUOGBM-GJZGRUSLSA-N 1 1 317.452 3.858 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000768155211 1022906605 /nfs/dbraw/zinc/90/66/05/1022906605.db2.gz VLFSSNZOVWANHJ-UHFFFAOYSA-N 1 1 318.371 3.727 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000768155211 1022906612 /nfs/dbraw/zinc/90/66/12/1022906612.db2.gz VLFSSNZOVWANHJ-UHFFFAOYSA-N 1 1 318.371 3.727 20 30 DHEDMO C#CCCOc1ccc(C[N@H+](C)Cc2cccc(OC)c2)cc1 ZINC000768163536 1022907987 /nfs/dbraw/zinc/90/79/87/1022907987.db2.gz QLZKZTYAWOGESW-UHFFFAOYSA-N 1 1 309.409 3.729 20 30 DHEDMO C[N@@H+](CC(=O)Nc1ccccc1Cl)CC(C)(C)CCC#N ZINC000768170138 1022909624 /nfs/dbraw/zinc/90/96/24/1022909624.db2.gz LAVBHEZGMHGZDN-UHFFFAOYSA-N 1 1 307.825 3.540 20 30 DHEDMO COc1cccc(C[N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000768164126 1022909711 /nfs/dbraw/zinc/90/97/11/1022909711.db2.gz XDKAAZGXAHCTDY-HNNXBMFYSA-N 1 1 310.397 3.618 20 30 DHEDMO C=CCCC(C)(C)NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857340780 1022991599 /nfs/dbraw/zinc/99/15/99/1022991599.db2.gz CRISYZVZNBUJHF-SFHVURJKSA-N 1 1 314.473 3.970 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc2nc(C#N)ccc2c1 ZINC001167753445 1023041352 /nfs/dbraw/zinc/04/13/52/1023041352.db2.gz IRLJXCSHVCWHPF-OAHLLOKOSA-N 1 1 308.429 3.783 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C/C(C)=C/c2ccccc2)c1 ZINC000768916209 1023056045 /nfs/dbraw/zinc/05/60/45/1023056045.db2.gz VUPNZVVULYAQFS-GHRIWEEISA-N 1 1 318.420 3.642 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)C/C(C)=C/c2ccccc2)c1 ZINC000768916209 1023056056 /nfs/dbraw/zinc/05/60/56/1023056056.db2.gz VUPNZVVULYAQFS-GHRIWEEISA-N 1 1 318.420 3.642 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCc2ccccc2F)cc1 ZINC000769030969 1023071824 /nfs/dbraw/zinc/07/18/24/1023071824.db2.gz ZGIQGDDBCCTVKA-OAHLLOKOSA-N 1 1 312.388 3.791 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@@H+](C)C2Cc3ccccc3C2)cc1 ZINC000769035955 1023074419 /nfs/dbraw/zinc/07/44/19/1023074419.db2.gz ZLFSSDQRYIEMLO-UHFFFAOYSA-N 1 1 319.452 3.636 20 30 DHEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000769106391 1023084931 /nfs/dbraw/zinc/08/49/31/1023084931.db2.gz LKMGDGDDHLQAPS-LJQANCHMSA-N 1 1 307.393 3.741 20 30 DHEDMO C#CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)C1CCCCC1 ZINC000769146066 1023089436 /nfs/dbraw/zinc/08/94/36/1023089436.db2.gz NDSGTPCRQPUPSE-UHFFFAOYSA-N 1 1 309.457 3.804 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000538570005 1033104212 /nfs/dbraw/zinc/10/42/12/1033104212.db2.gz LKMIJSUQNWDTPQ-LJQANCHMSA-N 1 1 301.430 3.642 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCc3sccc3C2)cc1 ZINC000769380809 1023135493 /nfs/dbraw/zinc/13/54/93/1023135493.db2.gz JVHSCLWFKLPEGB-AWEZNQCLSA-N 1 1 312.438 3.987 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000769433205 1023148907 /nfs/dbraw/zinc/14/89/07/1023148907.db2.gz ABIAVQXVYOOOJU-UHFFFAOYSA-N 1 1 302.418 3.703 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000769433205 1023148913 /nfs/dbraw/zinc/14/89/13/1023148913.db2.gz ABIAVQXVYOOOJU-UHFFFAOYSA-N 1 1 302.418 3.703 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3C)C2)cc1 ZINC000769446700 1023156643 /nfs/dbraw/zinc/15/66/43/1023156643.db2.gz RIXHVWRZRQKCPE-NRFANRHFSA-N 1 1 321.420 3.581 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2CCO[C@H](c3ccccc3C)C2)cc1 ZINC000769446700 1023156646 /nfs/dbraw/zinc/15/66/46/1023156646.db2.gz RIXHVWRZRQKCPE-NRFANRHFSA-N 1 1 321.420 3.581 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC000769505779 1023168766 /nfs/dbraw/zinc/16/87/66/1023168766.db2.gz IONBHFIBWPRDNL-LPHOPBHVSA-N 1 1 306.409 3.794 20 30 DHEDMO Cc1c(C[N@@H+](C[C@@H](C)C#N)C2CC2)sc2nc(C)nc(C)c12 ZINC000769542861 1023175741 /nfs/dbraw/zinc/17/57/41/1023175741.db2.gz CUXRAQGYAYHMKJ-JTQLQIEISA-N 1 1 314.458 3.741 20 30 DHEDMO Cc1c(C[N@H+](C[C@@H](C)C#N)C2CC2)sc2nc(C)nc(C)c12 ZINC000769542861 1023175744 /nfs/dbraw/zinc/17/57/44/1023175744.db2.gz CUXRAQGYAYHMKJ-JTQLQIEISA-N 1 1 314.458 3.741 20 30 DHEDMO COc1cccc(O)c1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000769549139 1023177790 /nfs/dbraw/zinc/17/77/90/1023177790.db2.gz OBHFZIBFNZPRCB-FUHWJXTLSA-N 1 1 322.408 3.673 20 30 DHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H]1CC[C@H](C)[C@@H](C)C1)CCO2 ZINC001172377326 1033112087 /nfs/dbraw/zinc/11/20/87/1033112087.db2.gz LZLOUTZKWGHVIY-CENDIDJXSA-N 1 1 321.505 3.885 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)CC2 ZINC001172376173 1033112214 /nfs/dbraw/zinc/11/22/14/1033112214.db2.gz ICCFICQNGVNMIH-MLYOOKFZSA-N 1 1 318.505 3.844 20 30 DHEDMO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000769846920 1023227030 /nfs/dbraw/zinc/22/70/30/1023227030.db2.gz RGMBAOVBYBPULD-WDMOLILDSA-N 1 1 316.792 3.733 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](CC)CC(F)F ZINC000660539607 1023315114 /nfs/dbraw/zinc/31/51/14/1023315114.db2.gz VIKHLBKOXDGXAC-CYBMUJFWSA-N 1 1 301.377 3.831 20 30 DHEDMO C=CC[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617000229 1023315223 /nfs/dbraw/zinc/31/52/23/1023315223.db2.gz VWXHGKXSBDTZBU-SJLPKXTDSA-N 1 1 314.473 3.583 20 30 DHEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660626336 1023351913 /nfs/dbraw/zinc/35/19/13/1023351913.db2.gz IZXIJRUSTRBXDF-KRWDZBQOSA-N 1 1 310.828 3.966 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660626336 1023351922 /nfs/dbraw/zinc/35/19/22/1023351922.db2.gz IZXIJRUSTRBXDF-KRWDZBQOSA-N 1 1 310.828 3.966 20 30 DHEDMO C=CCCCCCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)N1CC=CC1 ZINC001279836383 1023491359 /nfs/dbraw/zinc/49/13/59/1023491359.db2.gz ACDXZCLISOSWDA-AZUAARDMSA-N 1 1 316.489 3.766 20 30 DHEDMO CC(C)[N@@H+](CCCOc1cccc(C#N)c1)Cc1cccnc1 ZINC000093225873 1023517365 /nfs/dbraw/zinc/51/73/65/1023517365.db2.gz LVWMKIFMMQNXEU-UHFFFAOYSA-N 1 1 309.413 3.633 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000661381093 1023585255 /nfs/dbraw/zinc/58/52/55/1023585255.db2.gz VHYCQKMCXLFLIQ-CYBMUJFWSA-N 1 1 323.396 3.870 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000661381093 1023585261 /nfs/dbraw/zinc/58/52/61/1023585261.db2.gz VHYCQKMCXLFLIQ-CYBMUJFWSA-N 1 1 323.396 3.870 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1occc1Br ZINC000785616458 1023599651 /nfs/dbraw/zinc/59/96/51/1023599651.db2.gz CBCPLNYEYDEQFU-AWEZNQCLSA-N 1 1 317.186 3.691 20 30 DHEDMO C=CCCCCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000785756902 1023614911 /nfs/dbraw/zinc/61/49/11/1023614911.db2.gz OVPBAUCIOKCZKN-HOTGVXAUSA-N 1 1 310.482 3.968 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000876808406 1033147809 /nfs/dbraw/zinc/14/78/09/1033147809.db2.gz QYWOZBZJGJSOJY-ZACQAIPSSA-N 1 1 304.434 3.888 20 30 DHEDMO CCCCCCCCCN1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000785976661 1023646168 /nfs/dbraw/zinc/64/61/68/1023646168.db2.gz BAAWJIFFTZKUIN-SFHVURJKSA-N 1 1 310.526 3.922 20 30 DHEDMO CCCCCCCCC[N@@H+]1CCN(C2CCOCC2)C[C@@H]1C ZINC000785976661 1023646174 /nfs/dbraw/zinc/64/61/74/1023646174.db2.gz BAAWJIFFTZKUIN-SFHVURJKSA-N 1 1 310.526 3.922 20 30 DHEDMO CCCCCCCCC[N@H+]1CCN(C2CCOCC2)C[C@@H]1C ZINC000785976661 1023646178 /nfs/dbraw/zinc/64/61/78/1023646178.db2.gz BAAWJIFFTZKUIN-SFHVURJKSA-N 1 1 310.526 3.922 20 30 DHEDMO C=CCC[C@H](C)OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000786477610 1023695490 /nfs/dbraw/zinc/69/54/90/1023695490.db2.gz OTRGIJVHFVHUTP-NSHDSACASA-N 1 1 321.327 3.716 20 30 DHEDMO C=CC[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)C(C)(C)C ZINC000661760452 1023735306 /nfs/dbraw/zinc/73/53/06/1023735306.db2.gz UBCORXZDELAJJG-GOSISDBHSA-N 1 1 300.446 3.540 20 30 DHEDMO C[N@@H+](CCCC(C)(C)C#N)CC(=O)Nc1ccccc1Cl ZINC000746653184 1023765421 /nfs/dbraw/zinc/76/54/21/1023765421.db2.gz JKPFEWHNPOXBEK-UHFFFAOYSA-N 1 1 307.825 3.540 20 30 DHEDMO CCC1(CC)CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000787342347 1023789570 /nfs/dbraw/zinc/78/95/70/1023789570.db2.gz UHTIJZMSJRFPPE-GOSISDBHSA-N 1 1 300.446 3.884 20 30 DHEDMO C#CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCCCC1 ZINC000788234194 1023868334 /nfs/dbraw/zinc/86/83/34/1023868334.db2.gz FNGICEFAGTZMJB-OALUTQOASA-N 1 1 324.468 3.522 20 30 DHEDMO C#CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCCCC1 ZINC000788234195 1023868835 /nfs/dbraw/zinc/86/88/35/1023868835.db2.gz FNGICEFAGTZMJB-RBUKOAKNSA-N 1 1 324.468 3.522 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cccc(SC)c1 ZINC000662078756 1023887251 /nfs/dbraw/zinc/88/72/51/1023887251.db2.gz JQOLRVYLSHFOGG-GASCZTMLSA-N 1 1 302.443 3.530 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000662078785 1023888108 /nfs/dbraw/zinc/88/81/08/1023888108.db2.gz GQPKMPARNRKOKE-CWRNSKLLSA-N 1 1 316.470 3.919 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(CCc2ccccc2)no1 ZINC000662083302 1023891457 /nfs/dbraw/zinc/89/14/57/1023891457.db2.gz BVAAYJGPUSWRGW-CALCHBBNSA-N 1 1 309.413 3.538 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(CCc2ccccc2)no1 ZINC000662083302 1023891464 /nfs/dbraw/zinc/89/14/64/1023891464.db2.gz BVAAYJGPUSWRGW-CALCHBBNSA-N 1 1 309.413 3.538 20 30 DHEDMO COc1ccccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872415 1023941853 /nfs/dbraw/zinc/94/18/53/1023941853.db2.gz DENRQACNRDGMEW-OALUTQOASA-N 1 1 306.409 3.967 20 30 DHEDMO COc1ccccc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872415 1023941857 /nfs/dbraw/zinc/94/18/57/1023941857.db2.gz DENRQACNRDGMEW-OALUTQOASA-N 1 1 306.409 3.967 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc2c[nH]nc21 ZINC000093872270 1023941979 /nfs/dbraw/zinc/94/19/79/1023941979.db2.gz SOXPRPDGZWLZNY-OALUTQOASA-N 1 1 316.408 3.835 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859587944 1033176209 /nfs/dbraw/zinc/17/62/09/1033176209.db2.gz CNHOUKDAEUBHBN-LJQANCHMSA-N 1 1 300.446 3.690 20 30 DHEDMO Cc1oc(NC(=O)C[N@H+](C(C)C)C2CC(C)(C)C2)c(C#N)c1C ZINC000452106289 1023976693 /nfs/dbraw/zinc/97/66/93/1023976693.db2.gz PSEUWRDSHAQDGH-UHFFFAOYSA-N 1 1 317.433 3.606 20 30 DHEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@@H](CC)CC(C)C)C2 ZINC001172401268 1033183244 /nfs/dbraw/zinc/18/32/44/1033183244.db2.gz LLADQJRKJWXPJD-GBESFXJTSA-N 1 1 309.494 3.885 20 30 DHEDMO C[N@@H+](CCCOCc1ccccc1)Cc1cc(C#N)ccc1F ZINC000347396042 1024043682 /nfs/dbraw/zinc/04/36/82/1024043682.db2.gz DOHVPRUROZVIIH-UHFFFAOYSA-N 1 1 312.388 3.736 20 30 DHEDMO CC[N@@H+](CCCC(C)(C)C#N)Cc1ccc(OC)cc1OC ZINC000266928175 1024047559 /nfs/dbraw/zinc/04/75/59/1024047559.db2.gz RUIVLXOHQROWAY-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO CC1(C)CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)CCS1 ZINC000789340229 1024054224 /nfs/dbraw/zinc/05/42/24/1024054224.db2.gz LTFQGIWEZKOCKD-UHFFFAOYSA-N 1 1 324.877 3.960 20 30 DHEDMO N#CCOc1ccc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)cc1 ZINC000264893981 1033180412 /nfs/dbraw/zinc/18/04/12/1033180412.db2.gz GMLGNNFDYRZSLT-UHFFFAOYSA-N 1 1 322.408 3.707 20 30 DHEDMO CC(C)[N@H+](C)CC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000531415889 1024144040 /nfs/dbraw/zinc/14/40/40/1024144040.db2.gz XTJADBFYDLQAHC-UHFFFAOYSA-N 1 1 318.892 3.744 20 30 DHEDMO CC(C)[N@@H+](C)CC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000531415889 1024144049 /nfs/dbraw/zinc/14/40/49/1024144049.db2.gz XTJADBFYDLQAHC-UHFFFAOYSA-N 1 1 318.892 3.744 20 30 DHEDMO C=CCCCC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000452726189 1024167542 /nfs/dbraw/zinc/16/75/42/1024167542.db2.gz FTVUSDHGKWIBJD-UHFFFAOYSA-N 1 1 300.446 3.514 20 30 DHEDMO C[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000531488944 1024174328 /nfs/dbraw/zinc/17/43/28/1024174328.db2.gz UYRPQRMAGSHITQ-CQSZACIVSA-N 1 1 302.381 3.799 20 30 DHEDMO CC(C)N(C)c1ccc(C=[NH+]OCc2ccc(F)cc2)cn1 ZINC000790175591 1024234943 /nfs/dbraw/zinc/23/49/43/1024234943.db2.gz GCBOSNPOYXAGPT-UHFFFAOYSA-N 1 1 301.365 3.616 20 30 DHEDMO Cc1cccnc1N=NC(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000790185179 1024236990 /nfs/dbraw/zinc/23/69/90/1024236990.db2.gz DFCGSOFSNNFQFF-GOSISDBHSA-N 1 1 308.429 3.700 20 30 DHEDMO Clc1ccc2[nH]c3c(c2c1)C(=NNc1cc[nH+]cc1)CCC3 ZINC000790298507 1024275201 /nfs/dbraw/zinc/27/52/01/1024275201.db2.gz XZWOUWKAROSHBC-UHFFFAOYSA-N 1 1 310.788 3.791 20 30 DHEDMO CN(c1ccccc1)c1ccc(C=[NH+][N-]c2[nH+]ccn2C)cc1 ZINC000790299584 1024275773 /nfs/dbraw/zinc/27/57/73/1024275773.db2.gz FMLUPCOLKXBDHW-UHFFFAOYSA-N 1 1 305.385 3.634 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCc3ccc(F)cc32)c1 ZINC000877015281 1033208327 /nfs/dbraw/zinc/20/83/27/1033208327.db2.gz JXIFRQRTNYKJIF-OAHLLOKOSA-N 1 1 301.752 3.523 20 30 DHEDMO C=CC[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000271373758 1024495947 /nfs/dbraw/zinc/49/59/47/1024495947.db2.gz HIFYGOXHZMYPCO-UHFFFAOYSA-N 1 1 303.793 3.583 20 30 DHEDMO N#Cc1ccccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000453624173 1024548269 /nfs/dbraw/zinc/54/82/69/1024548269.db2.gz XOOZGCVCANLIJX-FQEVSTJZSA-N 1 1 320.436 3.942 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274320215 1024568517 /nfs/dbraw/zinc/56/85/17/1024568517.db2.gz GFWVGSWMWSKSGV-JENIJYKNSA-N 1 1 314.473 3.616 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC000532161284 1024568763 /nfs/dbraw/zinc/56/87/63/1024568763.db2.gz WWUMRVRXGAAAAR-OAHLLOKOSA-N 1 1 306.425 3.633 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cn1)[C@H](C)c1ccccc1OC ZINC000570289582 1024608216 /nfs/dbraw/zinc/60/82/16/1024608216.db2.gz CORDXSLEYNAIDF-OAHLLOKOSA-N 1 1 309.413 3.935 20 30 DHEDMO C#CCC[N@H+](CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC001168145431 1024625186 /nfs/dbraw/zinc/62/51/86/1024625186.db2.gz MZIGSTIFYCFCDI-UHFFFAOYSA-N 1 1 306.453 3.644 20 30 DHEDMO C#CCCN(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001168145431 1024625194 /nfs/dbraw/zinc/62/51/94/1024625194.db2.gz MZIGSTIFYCFCDI-UHFFFAOYSA-N 1 1 306.453 3.644 20 30 DHEDMO C#CCCN(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001168145431 1024625204 /nfs/dbraw/zinc/62/52/04/1024625204.db2.gz MZIGSTIFYCFCDI-UHFFFAOYSA-N 1 1 306.453 3.644 20 30 DHEDMO CO[C@@H](C)C[N@@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000348837036 1024627165 /nfs/dbraw/zinc/62/71/65/1024627165.db2.gz ZMQOXPSXKLICEE-INIZCTEOSA-N 1 1 324.424 3.604 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001172496547 1033226517 /nfs/dbraw/zinc/22/65/17/1033226517.db2.gz NUJXSBRXASIEMS-QAPCUYQASA-N 1 1 321.465 3.544 20 30 DHEDMO CC[N@@H+]([C@@H](C)CCCC#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001172499221 1033229239 /nfs/dbraw/zinc/22/92/39/1033229239.db2.gz VRALEMGKRRSYRO-HOTGVXAUSA-N 1 1 323.481 3.790 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@]2(CCCN2Cc2ccccc2)C1 ZINC001172497580 1033229260 /nfs/dbraw/zinc/22/92/60/1033229260.db2.gz DAKLBQOPBNTCKC-ICSRJNTNSA-N 1 1 311.473 3.809 20 30 DHEDMO C[C@@H](CCCC#N)N1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC001172497580 1033229265 /nfs/dbraw/zinc/22/92/65/1033229265.db2.gz DAKLBQOPBNTCKC-ICSRJNTNSA-N 1 1 311.473 3.809 20 30 DHEDMO C[C@@H](CCCC#N)N1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)C1 ZINC001172497580 1033229271 /nfs/dbraw/zinc/22/92/71/1033229271.db2.gz DAKLBQOPBNTCKC-ICSRJNTNSA-N 1 1 311.473 3.809 20 30 DHEDMO Cc1ccc2c(n1)N(CC1CC1)CC[N@H+]([C@H](C)CCCC#N)C2 ZINC001172500111 1033229523 /nfs/dbraw/zinc/22/95/23/1033229523.db2.gz WWOBCGVNLIICEL-MRXNPFEDSA-N 1 1 312.461 3.504 20 30 DHEDMO C=CCCC(C)(C)NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000663656890 1024714748 /nfs/dbraw/zinc/71/47/48/1024714748.db2.gz YKIIFETXVHNBAO-MRXNPFEDSA-N 1 1 309.498 3.685 20 30 DHEDMO Cc1ccc(CC#N)c(NCc2ccc(F)c(Cl)c2F)[nH+]1 ZINC001157711478 1024720403 /nfs/dbraw/zinc/72/04/03/1024720403.db2.gz TWFPYBHRXJVANR-UHFFFAOYSA-N 1 1 307.731 4.000 20 30 DHEDMO C[C@H]([NH2+]Cc1ccn(C)n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542019543 1024749044 /nfs/dbraw/zinc/74/90/44/1024749044.db2.gz XWFNVYCJMZPGAQ-HNNXBMFYSA-N 1 1 316.408 3.810 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2csc(C#N)c2)o1 ZINC000893641692 1024750194 /nfs/dbraw/zinc/75/01/94/1024750194.db2.gz IVEDCUNCCRKZNY-HNNXBMFYSA-N 1 1 302.399 3.696 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2csc(C#N)c2)o1 ZINC000893641692 1024750204 /nfs/dbraw/zinc/75/02/04/1024750204.db2.gz IVEDCUNCCRKZNY-HNNXBMFYSA-N 1 1 302.399 3.696 20 30 DHEDMO C[N@@H+](CCc1ccncc1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170386174 1024759681 /nfs/dbraw/zinc/75/96/81/1024759681.db2.gz AABRZOATAZIJPY-UHFFFAOYSA-N 1 1 319.452 3.960 20 30 DHEDMO CCCO[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170387169 1024760740 /nfs/dbraw/zinc/76/07/40/1024760740.db2.gz SLKMCVBYSOLWDG-IOJLRTSASA-N 1 1 312.457 3.891 20 30 DHEDMO CO[C@@H]1CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170389698 1024761947 /nfs/dbraw/zinc/76/19/47/1024761947.db2.gz ZMTXEXSKEKBBGP-IOJLRTSASA-N 1 1 312.457 3.891 20 30 DHEDMO CCN(CC)CC[N@@H+](C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170376537 1024765177 /nfs/dbraw/zinc/76/51/77/1024765177.db2.gz OERTUJHWVMVGJU-UHFFFAOYSA-N 1 1 313.489 3.664 20 30 DHEDMO CC[NH+](CC)CCN(C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170376537 1024765188 /nfs/dbraw/zinc/76/51/88/1024765188.db2.gz OERTUJHWVMVGJU-UHFFFAOYSA-N 1 1 313.489 3.664 20 30 DHEDMO CC(C)[N@@H+]([C@H](C)CCCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001172508061 1033237552 /nfs/dbraw/zinc/23/75/52/1033237552.db2.gz BBALRQHIDJXFHF-CVEARBPZSA-N 1 1 323.481 3.789 20 30 DHEDMO CC(C)[N@@H+]([C@@H](C)CCCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001172508069 1033238821 /nfs/dbraw/zinc/23/88/21/1033238821.db2.gz BBALRQHIDJXFHF-JKSUJKDBSA-N 1 1 323.481 3.789 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC001172506399 1033234437 /nfs/dbraw/zinc/23/44/37/1033234437.db2.gz SYOXUEBZECHHQT-GFCCVEGCSA-N 1 1 323.234 3.726 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCOc2ccc(Br)cc2C1 ZINC001172506399 1033234443 /nfs/dbraw/zinc/23/44/43/1033234443.db2.gz SYOXUEBZECHHQT-GFCCVEGCSA-N 1 1 323.234 3.726 20 30 DHEDMO CCCCCCCC[C@H](CC)[N@H+]1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001172505401 1033234838 /nfs/dbraw/zinc/23/48/38/1033234838.db2.gz MNVADTSJQTVASQ-INDMIFKZSA-N 1 1 311.510 3.987 20 30 DHEDMO COc1ccc([C@@H]2CSCC[N@H+]2[C@@H](C)CCCC#N)cc1 ZINC001172506940 1033235208 /nfs/dbraw/zinc/23/52/08/1033235208.db2.gz MGOQRHGCUGWBGD-YOEHRIQHSA-N 1 1 304.459 3.867 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)CCCC#N)cc1OC ZINC001172507227 1033235862 /nfs/dbraw/zinc/23/58/62/1033235862.db2.gz QUJXQODEMZXUKY-HOCLYGCPSA-N 1 1 302.418 3.923 20 30 DHEDMO C[C@]12CC[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]1C2(Cl)Cl ZINC000792903801 1024831438 /nfs/dbraw/zinc/83/14/38/1024831438.db2.gz KEWMVSXZTQTHIZ-KGLIPLIRSA-N 1 1 313.203 3.713 20 30 DHEDMO C[C@]12CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]1C2(Cl)Cl ZINC000792903801 1024831457 /nfs/dbraw/zinc/83/14/57/1024831457.db2.gz KEWMVSXZTQTHIZ-KGLIPLIRSA-N 1 1 313.203 3.713 20 30 DHEDMO CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H](C)CCCC#N ZINC001172507999 1033236929 /nfs/dbraw/zinc/23/69/29/1033236929.db2.gz ASCNFLNPKAQIPU-HOTGVXAUSA-N 1 1 323.481 3.648 20 30 DHEDMO C#CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](CC)CCCC ZINC001274982038 1024884153 /nfs/dbraw/zinc/88/41/53/1024884153.db2.gz FBHOBTTWZWPFFI-OKZBNKHCSA-N 1 1 318.505 3.537 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2C[C@@H](CC)CCCC)C1=O ZINC001275082971 1024906237 /nfs/dbraw/zinc/90/62/37/1024906237.db2.gz SIIDCQUHLCEGMR-HKUYNNGSSA-N 1 1 306.494 3.846 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@]2(CCN(CC=C(C)C)C2=O)C1 ZINC001275111252 1024916506 /nfs/dbraw/zinc/91/65/06/1024916506.db2.gz JSAZCOKGFWPGKT-IBGZPJMESA-N 1 1 306.494 3.847 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001275114187 1024921606 /nfs/dbraw/zinc/92/16/06/1024921606.db2.gz KNLBFNMEPBIEQY-QZTJIDSGSA-N 1 1 319.493 3.716 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@]12CCN(CC(F)F)C2=O ZINC001275119414 1024925616 /nfs/dbraw/zinc/92/56/16/1024925616.db2.gz REHXWEBGTWBUPM-QGZVFWFLSA-N 1 1 316.436 3.679 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2CCCCCCCCC)C1=O ZINC001275119968 1024925692 /nfs/dbraw/zinc/92/56/92/1024925692.db2.gz ZFIPZYVVYQFEQS-IBGZPJMESA-N 1 1 306.494 3.990 20 30 DHEDMO C=C(C)CN1c2ccccc2[C@]2(CC[N@@H+](CC3CCCC3)C2)C1=O ZINC001275130679 1024928370 /nfs/dbraw/zinc/92/83/70/1024928370.db2.gz OCICQDKYWAXQGN-OAQYLSRUSA-N 1 1 324.468 3.743 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H](c2ccccc2)C(C)C)n1 ZINC000793183050 1024929004 /nfs/dbraw/zinc/92/90/04/1024929004.db2.gz BBSQQZKMFXCTKC-FQEVSTJZSA-N 1 1 309.457 3.778 20 30 DHEDMO CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C(C)C ZINC000566430559 1033247509 /nfs/dbraw/zinc/24/75/09/1033247509.db2.gz VJGRPBNMWBVJJV-UHFFFAOYSA-N 1 1 319.474 3.557 20 30 DHEDMO C[NH+](C)[C@@H](C/N=C/c1ccccc1O)c1ccccc1Cl ZINC000005291786 1025027112 /nfs/dbraw/zinc/02/71/12/1025027112.db2.gz ISKOIGSFWVQTBL-ZVCOJXFSSA-N 1 1 302.805 3.767 20 30 DHEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cn3cc(Cl)ccc3n1)CC2 ZINC000353380848 1025048544 /nfs/dbraw/zinc/04/85/44/1025048544.db2.gz CHWWZFVNZQOEKP-QGZVFWFLSA-N 1 1 322.799 3.636 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(NC(C)=O)cc1 ZINC000120721258 1025053051 /nfs/dbraw/zinc/05/30/51/1025053051.db2.gz JKLJGJKOJRWAMK-UHFFFAOYSA-N 1 1 321.424 3.929 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C#N)Cc1cccc2[nH]ccc21 ZINC000353515762 1025103506 /nfs/dbraw/zinc/10/35/06/1025103506.db2.gz FCWBPYQOZGJMDI-UHFFFAOYSA-N 1 1 305.381 3.550 20 30 DHEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000793611823 1025128419 /nfs/dbraw/zinc/12/84/19/1025128419.db2.gz HKUTYBBNHJPKGK-CVEARBPZSA-N 1 1 324.251 3.714 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1cccc(C#N)c1 ZINC001168193578 1025174215 /nfs/dbraw/zinc/17/42/15/1025174215.db2.gz RQYWSOOQNDDDNN-ZWKOTPCHSA-N 1 1 319.452 3.653 20 30 DHEDMO C=CCn1cc(C[N@@H+](C)Cc2ccccc2C(F)(F)F)cn1 ZINC001139772723 1025207167 /nfs/dbraw/zinc/20/71/67/1025207167.db2.gz PWNSMOHJMPNRDO-UHFFFAOYSA-N 1 1 309.335 3.720 20 30 DHEDMO C=CCn1cc(C[N@H+](C)Cc2ccccc2C(F)(F)F)cn1 ZINC001139772723 1025207174 /nfs/dbraw/zinc/20/71/74/1025207174.db2.gz PWNSMOHJMPNRDO-UHFFFAOYSA-N 1 1 309.335 3.720 20 30 DHEDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000353767870 1025243045 /nfs/dbraw/zinc/24/30/45/1025243045.db2.gz MQKDDIQMNXNNOC-HOTGVXAUSA-N 1 1 308.429 3.694 20 30 DHEDMO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CCCC(C)(C)C#N ZINC000191622959 1025245120 /nfs/dbraw/zinc/24/51/20/1025245120.db2.gz CPDBYNSRYPULCA-OAHLLOKOSA-N 1 1 303.425 3.666 20 30 DHEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1C ZINC001168202048 1025266944 /nfs/dbraw/zinc/26/69/44/1025266944.db2.gz QEKKCBKKBSIYTB-KGLIPLIRSA-N 1 1 311.347 3.915 20 30 DHEDMO CCCCCn1cc(C[NH2+]Cc2ccc(C#N)cc2F)c(C)n1 ZINC000348343188 1025271327 /nfs/dbraw/zinc/27/13/27/1025271327.db2.gz KPUJIKBFQXGMHQ-UHFFFAOYSA-N 1 1 314.408 3.682 20 30 DHEDMO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352831171 1025281801 /nfs/dbraw/zinc/28/18/01/1025281801.db2.gz CEBSTAVFKXIFMO-LBPRGKRZSA-N 1 1 301.415 3.653 20 30 DHEDMO CC(C)(C)Oc1cccc(C[NH2+]Cc2ccc(C#N)cc2F)n1 ZINC000348344692 1025299797 /nfs/dbraw/zinc/29/97/97/1025299797.db2.gz GEVWGIXWDIPKQY-UHFFFAOYSA-N 1 1 313.376 3.559 20 30 DHEDMO C=CC[C@@](C)([NH2+][C@H]1CCC[C@@H](c2ccccc2)C1)C(=O)OC ZINC001172544641 1033274661 /nfs/dbraw/zinc/27/46/61/1033274661.db2.gz CPPFKGFFNBJTMG-ZIFCJYIRSA-N 1 1 301.430 3.810 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H]2CSC)ccc1OC ZINC000354078812 1025342852 /nfs/dbraw/zinc/34/28/52/1025342852.db2.gz YSOJHPCENFFNSG-MRXNPFEDSA-N 1 1 321.486 3.978 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1F)Cc1ccccc1 ZINC000051400808 1025348816 /nfs/dbraw/zinc/34/88/16/1025348816.db2.gz HMEGXUGUTIWHIZ-UHFFFAOYSA-N 1 1 312.388 3.843 20 30 DHEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Br)cc1 ZINC000032514530 1025363891 /nfs/dbraw/zinc/36/38/91/1025363891.db2.gz VMZRRRRSWOMPNW-NWDGAFQWSA-N 1 1 306.207 3.543 20 30 DHEDMO C#Cc1ccc(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)c(Cl)c1 ZINC000885669576 1025376630 /nfs/dbraw/zinc/37/66/30/1025376630.db2.gz IPUVKQCMUCTHJD-GFCCVEGCSA-N 1 1 315.804 3.670 20 30 DHEDMO C=C(Br)C[NH2+]Cc1ccc(F)cc1Br ZINC000136052542 1025382278 /nfs/dbraw/zinc/38/22/78/1025382278.db2.gz PREUSDBWLCUBPI-UHFFFAOYSA-N 1 1 323.003 3.586 20 30 DHEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885927368 1025407366 /nfs/dbraw/zinc/40/73/66/1025407366.db2.gz QUPCGVWZZGICGL-GOEBONIOSA-N 1 1 312.413 3.870 20 30 DHEDMO C[N@H+](Cc1ccc2ccccc2c1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885937932 1025412569 /nfs/dbraw/zinc/41/25/69/1025412569.db2.gz NDVDFDMWOKVPEJ-IBGZPJMESA-N 1 1 308.425 3.716 20 30 DHEDMO C=CCCCCC[N@@H+]1CCCC[C@@]12CC(=O)N([C@H](C)CC)C2 ZINC001275323445 1025422718 /nfs/dbraw/zinc/42/27/18/1025422718.db2.gz BJAAFKMMZUUSFX-MJGOQNOKSA-N 1 1 306.494 3.988 20 30 DHEDMO CC[N@H+](Cc1ccc(Cl)cc1)C[C@H](O)CC1(C#N)CCC1 ZINC000885968985 1025424546 /nfs/dbraw/zinc/42/45/46/1025424546.db2.gz HAIBBFQUMWDXRJ-MRXNPFEDSA-N 1 1 306.837 3.607 20 30 DHEDMO C=CCCCCC[N@@H+]1CCCC[C@]12CC(=O)N(CCCC)C2 ZINC001275324886 1025431833 /nfs/dbraw/zinc/43/18/33/1025431833.db2.gz JJDVWRXAYWDATM-LJQANCHMSA-N 1 1 306.494 3.990 20 30 DHEDMO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCCCCCC=C ZINC001275329680 1025439119 /nfs/dbraw/zinc/43/91/19/1025439119.db2.gz DCQBPXYRLYETJY-FQEVSTJZSA-N 1 1 316.489 3.603 20 30 DHEDMO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC[C@@H]1c1ccccc1 ZINC000886020482 1025441743 /nfs/dbraw/zinc/44/17/43/1025441743.db2.gz AQJQSHSHEDHDHX-NEWSRXKRSA-N 1 1 312.457 3.557 20 30 DHEDMO Cc1cccc(C[NH2+]Cc2ccc(C#N)s2)c1Br ZINC000190323712 1025454968 /nfs/dbraw/zinc/45/49/68/1025454968.db2.gz OLOIXZMVTAAZES-UHFFFAOYSA-N 1 1 321.243 3.981 20 30 DHEDMO Cc1cc([NH+](C)C)cc(C)c1NCc1cc(C#N)cnc1Cl ZINC000877349807 1033286754 /nfs/dbraw/zinc/28/67/54/1033286754.db2.gz BFFISTNNBHOUCE-UHFFFAOYSA-N 1 1 314.820 3.902 20 30 DHEDMO C[C@@]1(Cc2ccccc2)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886138361 1025525417 /nfs/dbraw/zinc/52/54/17/1025525417.db2.gz IUSSOBURYPMFKY-OALUTQOASA-N 1 1 312.457 3.528 20 30 DHEDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886138363 1025525537 /nfs/dbraw/zinc/52/55/37/1025525537.db2.gz IUSSOBURYPMFKY-RTBURBONSA-N 1 1 312.457 3.528 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877365124 1033288340 /nfs/dbraw/zinc/28/83/40/1033288340.db2.gz OWYWHUIQJHHRFR-AWEZNQCLSA-N 1 1 303.406 3.815 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)CCC1 ZINC000886236908 1025567862 /nfs/dbraw/zinc/56/78/62/1025567862.db2.gz RFERQQUUKMKURM-YOEHRIQHSA-N 1 1 320.383 3.547 20 30 DHEDMO CC(C)[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@H](C)c1ccsc1 ZINC000886252302 1025570824 /nfs/dbraw/zinc/57/08/24/1025570824.db2.gz ZLNVNIVVFCDTLB-GDBMZVCRSA-N 1 1 306.475 3.964 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)CCC1 ZINC000886277670 1025579755 /nfs/dbraw/zinc/57/97/55/1025579755.db2.gz YPOLZVORGHJFQP-WBVHZDCISA-N 1 1 314.429 3.642 20 30 DHEDMO C=CCCC1(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000355038420 1025588977 /nfs/dbraw/zinc/58/89/77/1025588977.db2.gz LEIYKDUBOZQLDA-AEFFLSMTSA-N 1 1 312.457 3.685 20 30 DHEDMO C=CCCC1(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000355038423 1025589624 /nfs/dbraw/zinc/58/96/24/1025589624.db2.gz LEIYKDUBOZQLDA-FUHWJXTLSA-N 1 1 312.457 3.685 20 30 DHEDMO C=CCC[C@@H](NC(=O)[C@H]1CCCc2[nH+]ccn21)c1ccccc1 ZINC000355159144 1025619187 /nfs/dbraw/zinc/61/91/87/1025619187.db2.gz IAVCQQVGBBSBTI-IAGOWNOFSA-N 1 1 309.413 3.584 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1n1ccnc1 ZINC000614176138 1025811229 /nfs/dbraw/zinc/81/12/29/1025811229.db2.gz JJSHNLAPXSWCFH-LPHOPBHVSA-N 1 1 322.456 3.767 20 30 DHEDMO C[C@H]1CCC[N@H+]1C1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000134756281 1025820467 /nfs/dbraw/zinc/82/04/67/1025820467.db2.gz MMNIXKNWBWPXTF-INIZCTEOSA-N 1 1 316.876 3.640 20 30 DHEDMO C[N@@H+](CCCSCC#N)Cc1ccccc1OC(F)(F)F ZINC000074980940 1025829033 /nfs/dbraw/zinc/82/90/33/1025829033.db2.gz VKNDTQUWHZHJPB-UHFFFAOYSA-N 1 1 318.364 3.664 20 30 DHEDMO N#CCSCCC[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000074980691 1025831416 /nfs/dbraw/zinc/83/14/16/1025831416.db2.gz WMFTZIAVAKUNFL-UHFFFAOYSA-N 1 1 306.456 3.990 20 30 DHEDMO CC[C@H](C)Oc1cc(C[N@H+](CC)C[C@@H](C)C#N)ccc1OC ZINC000120480195 1025930359 /nfs/dbraw/zinc/93/03/59/1025930359.db2.gz CUVHTVWPBHRBJL-GJZGRUSLSA-N 1 1 304.434 3.854 20 30 DHEDMO CC[C@H](C)Oc1cc(C[N@@H+](CC)C[C@@H](C)C#N)ccc1OC ZINC000120480195 1025930372 /nfs/dbraw/zinc/93/03/72/1025930372.db2.gz CUVHTVWPBHRBJL-GJZGRUSLSA-N 1 1 304.434 3.854 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)n1 ZINC000356134672 1025961776 /nfs/dbraw/zinc/96/17/76/1025961776.db2.gz YYVYMGRGUNCXER-ZDUSSCGKSA-N 1 1 315.467 3.629 20 30 DHEDMO N#Cc1csc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)n1 ZINC000356134672 1025961790 /nfs/dbraw/zinc/96/17/90/1025961790.db2.gz YYVYMGRGUNCXER-ZDUSSCGKSA-N 1 1 315.467 3.629 20 30 DHEDMO COc1ccc(C[N@@H+](CC2CC2)C(C)C)cc1OCCCC#N ZINC000536639095 1026037065 /nfs/dbraw/zinc/03/70/65/1026037065.db2.gz IFMVIHGOEBZPQW-UHFFFAOYSA-N 1 1 316.445 3.998 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC001137638193 1026060628 /nfs/dbraw/zinc/06/06/28/1026060628.db2.gz VURQOXHQYPWXHG-RYUDHWBXSA-N 1 1 307.235 3.941 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000356530926 1026074488 /nfs/dbraw/zinc/07/44/88/1026074488.db2.gz RMSINNGTOLGTRC-RBUKOAKNSA-N 1 1 313.441 3.785 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C2(CC2)C1 ZINC001137639061 1026121852 /nfs/dbraw/zinc/12/18/52/1026121852.db2.gz IVFLJNUWFCUGKB-LLVKDONJSA-N 1 1 305.219 3.695 20 30 DHEDMO C#C[C@H](NC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)C(C)(C)C ZINC000807881910 1026133855 /nfs/dbraw/zinc/13/38/55/1026133855.db2.gz SPLDHAYOTCSARX-SFHVURJKSA-N 1 1 314.473 3.695 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000532978169 1026160031 /nfs/dbraw/zinc/16/00/31/1026160031.db2.gz WFVQFDGNDTWWJK-UHFFFAOYSA-N 1 1 315.442 3.647 20 30 DHEDMO COc1ccc2c(c1)CCC[N@H+](Cc1ccc(OC)c(C#N)c1)C2 ZINC000533079697 1026211358 /nfs/dbraw/zinc/21/13/58/1026211358.db2.gz AEMBQXKAPDGXLD-UHFFFAOYSA-N 1 1 322.408 3.524 20 30 DHEDMO C=CC[N@H+](CCOc1cccc(F)c1)Cc1ccc(OC)cc1 ZINC000614352868 1026213181 /nfs/dbraw/zinc/21/31/81/1026213181.db2.gz PAFCXORAGNGDSW-UHFFFAOYSA-N 1 1 315.388 3.901 20 30 DHEDMO CC1(C#N)CC[NH+](Cc2cnc(-c3cccs3)s2)CC1 ZINC000356918688 1026226854 /nfs/dbraw/zinc/22/68/54/1026226854.db2.gz PUSDYQBOFYIMDX-UHFFFAOYSA-N 1 1 303.456 3.997 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000614397347 1026292718 /nfs/dbraw/zinc/29/27/18/1026292718.db2.gz NCNRYBPJJQNDEV-HXUWFJFHSA-N 1 1 306.409 3.613 20 30 DHEDMO CCOC(=O)C1([N@H+](C)Cc2ccc(C#N)cc2C)CCCCC1 ZINC000614403519 1026298795 /nfs/dbraw/zinc/29/87/95/1026298795.db2.gz FPVZUVSQHJDUMA-UHFFFAOYSA-N 1 1 314.429 3.565 20 30 DHEDMO CCOC(=O)C1([N@@H+](C)Cc2ccc(C#N)cc2C)CCCCC1 ZINC000614403519 1026298807 /nfs/dbraw/zinc/29/88/07/1026298807.db2.gz FPVZUVSQHJDUMA-UHFFFAOYSA-N 1 1 314.429 3.565 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000614406212 1026299703 /nfs/dbraw/zinc/29/97/03/1026299703.db2.gz XEKXQLMJINKYKF-NRFANRHFSA-N 1 1 320.436 3.700 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000614406212 1026299715 /nfs/dbraw/zinc/29/97/15/1026299715.db2.gz XEKXQLMJINKYKF-NRFANRHFSA-N 1 1 320.436 3.700 20 30 DHEDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1C ZINC000614405822 1026300456 /nfs/dbraw/zinc/30/04/56/1026300456.db2.gz IHUNYJWKHVCGLA-FQEVSTJZSA-N 1 1 308.425 3.640 20 30 DHEDMO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)c(F)c1 ZINC000151139841 1026426753 /nfs/dbraw/zinc/42/67/53/1026426753.db2.gz LCHWVVGTFXOYCQ-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO Cc1c([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cccc1[N+](=O)[O-] ZINC000151148725 1026455528 /nfs/dbraw/zinc/45/55/28/1026455528.db2.gz GJVMCEKSUVEBMS-LBPRGKRZSA-N 1 1 313.332 3.765 20 30 DHEDMO CC[N@H+](CCC#N)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809544523 1026545276 /nfs/dbraw/zinc/54/52/76/1026545276.db2.gz LCLVHSNLWHXHAH-UHFFFAOYSA-N 1 1 319.452 3.985 20 30 DHEDMO CC[N@@H+](CCC#N)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809544523 1026545278 /nfs/dbraw/zinc/54/52/78/1026545278.db2.gz LCLVHSNLWHXHAH-UHFFFAOYSA-N 1 1 319.452 3.985 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)cc1 ZINC000809560306 1026550727 /nfs/dbraw/zinc/55/07/27/1026550727.db2.gz UEBCMBJWCKAHGN-SFTDATJTSA-N 1 1 305.421 3.756 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)cc1 ZINC000809593721 1026570374 /nfs/dbraw/zinc/57/03/74/1026570374.db2.gz QLWAEEPTIDUTSG-RTWAWAEBSA-N 1 1 323.411 3.895 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000809693068 1026585102 /nfs/dbraw/zinc/58/51/02/1026585102.db2.gz NFPBGWYFUDYFJF-LJQANCHMSA-N 1 1 309.413 3.539 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000809693068 1026585110 /nfs/dbraw/zinc/58/51/10/1026585110.db2.gz NFPBGWYFUDYFJF-LJQANCHMSA-N 1 1 309.413 3.539 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C)c(C)cc1O ZINC000809701453 1026588775 /nfs/dbraw/zinc/58/87/75/1026588775.db2.gz FVBKYIXHQYNFBE-UHFFFAOYSA-N 1 1 315.413 3.673 20 30 DHEDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809765104 1026619972 /nfs/dbraw/zinc/61/99/72/1026619972.db2.gz LBLWEHSEXOVBLA-BEFAXECRSA-N 1 1 309.413 3.956 20 30 DHEDMO C=CCC[C@@H]([NH2+]Cc1cnn(C)n1)c1ccc(C(F)(F)F)cc1 ZINC000809973034 1026652588 /nfs/dbraw/zinc/65/25/88/1026652588.db2.gz QYMNVKZOBWBHLS-OAHLLOKOSA-N 1 1 324.350 3.631 20 30 DHEDMO N#Cc1csc(C[NH2+][C@H](c2cccnc2)C2CCCCC2)n1 ZINC000810142364 1026688735 /nfs/dbraw/zinc/68/87/35/1026688735.db2.gz XXGVGYITHLSUOC-KRWDZBQOSA-N 1 1 312.442 3.821 20 30 DHEDMO CC(C)n1cc2c(n1)[C@H]([NH2+][C@H]1CCc3ccc(C#N)cc31)CCC2 ZINC000810236658 1026726358 /nfs/dbraw/zinc/72/63/58/1026726358.db2.gz KSLZYOMYDVLYTR-RBUKOAKNSA-N 1 1 320.440 3.990 20 30 DHEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000747619429 1026806234 /nfs/dbraw/zinc/80/62/34/1026806234.db2.gz MFVMNAYGYBLCRH-FQEVSTJZSA-N 1 1 311.400 3.541 20 30 DHEDMO C=CCC[C@H](C(=O)O[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000810613972 1026809146 /nfs/dbraw/zinc/80/91/46/1026809146.db2.gz BZUHMYNJXXBMRD-YJBOKZPZSA-N 1 1 312.413 3.873 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000420937801 1026882623 /nfs/dbraw/zinc/88/26/23/1026882623.db2.gz ACUAUBCHRAJFOI-CQSZACIVSA-N 1 1 312.335 3.601 20 30 DHEDMO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)c1ccsc1 ZINC000421007416 1026913029 /nfs/dbraw/zinc/91/30/29/1026913029.db2.gz LICNKYCYAJTKEY-PBHICJAKSA-N 1 1 321.490 3.574 20 30 DHEDMO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CCCC(C)(C)C#N)C1 ZINC000421017337 1026917535 /nfs/dbraw/zinc/91/75/35/1026917535.db2.gz LWCZZNDLFAOXTL-GJZGRUSLSA-N 1 1 308.466 3.616 20 30 DHEDMO N#Cc1ccc(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1F ZINC000421375675 1026970430 /nfs/dbraw/zinc/97/04/30/1026970430.db2.gz DTXOVUFNPGUJCR-SFHVURJKSA-N 1 1 315.436 3.584 20 30 DHEDMO C#C[C@H]([NH2+]Cc1cnc2cccc(C)n12)c1ccc(Cl)cc1 ZINC000811517680 1027020595 /nfs/dbraw/zinc/02/05/95/1027020595.db2.gz ZJHQMPLSKFHHBV-KRWDZBQOSA-N 1 1 309.800 3.760 20 30 DHEDMO C#C[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1Br ZINC000811505089 1027024311 /nfs/dbraw/zinc/02/43/11/1027024311.db2.gz DCZJUYVCLQLVKY-MRVPVSSYSA-N 1 1 306.125 3.579 20 30 DHEDMO C[C@@H]1C(N=Nc2ncccc2Cl)CC[N@H+]1Cc1ccccc1 ZINC000811639160 1027045585 /nfs/dbraw/zinc/04/55/85/1027045585.db2.gz PWUWYGWJAWSWJJ-CYBMUJFWSA-N 1 1 314.820 3.797 20 30 DHEDMO C=CC[NH+]1CCC(N[C@@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421839363 1027072666 /nfs/dbraw/zinc/07/26/66/1027072666.db2.gz XBMHCIMFKDMYIL-LJQANCHMSA-N 1 1 318.436 3.525 20 30 DHEDMO CCC[N@@H+](CCC(C)(C)C#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000561887461 1027109221 /nfs/dbraw/zinc/10/92/21/1027109221.db2.gz YRRXGANDCZLQEZ-INIZCTEOSA-N 1 1 315.461 3.974 20 30 DHEDMO N#Cc1csc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000571364962 1027125850 /nfs/dbraw/zinc/12/58/50/1027125850.db2.gz GSIOLOLCZNPGJP-QRVBRYPASA-N 1 1 324.449 3.624 20 30 DHEDMO COCC[N@@H+](Cc1ccsc1C)Cc1ccc(C#N)cc1 ZINC000295224089 1027151595 /nfs/dbraw/zinc/15/15/95/1027151595.db2.gz BZQLGEOLKDQFKL-UHFFFAOYSA-N 1 1 300.427 3.577 20 30 DHEDMO COc1cccc([C@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000571837584 1027152143 /nfs/dbraw/zinc/15/21/43/1027152143.db2.gz OZGOYVAKLIJNRA-INIZCTEOSA-N 1 1 324.424 3.776 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)c1 ZINC000362337832 1027153975 /nfs/dbraw/zinc/15/39/75/1027153975.db2.gz YWDKALVURAWFCG-LJQANCHMSA-N 1 1 311.429 3.630 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)s1 ZINC000362388660 1027178873 /nfs/dbraw/zinc/17/88/73/1027178873.db2.gz HBESCZQFYKRYJC-ZWKOTPCHSA-N 1 1 312.438 3.708 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC000780790243 1027181464 /nfs/dbraw/zinc/18/14/64/1027181464.db2.gz VBDSCHJPERIOAB-IBGZPJMESA-N 1 1 321.420 3.600 20 30 DHEDMO N#CC1CCC(C[N@@H+]2Cc3ccccc3N3CCC[C@H]3C2)CC1 ZINC000931707902 1027226214 /nfs/dbraw/zinc/22/62/14/1027226214.db2.gz CCJSVVVUDCRPDS-TVPLGVNVSA-N 1 1 309.457 3.801 20 30 DHEDMO CN(C)CC[N@@H+](Cc1cc(C#N)cs1)CC1CCCCC1 ZINC000573140659 1027266814 /nfs/dbraw/zinc/26/68/14/1027266814.db2.gz ZRBZPOCQCCDBKU-UHFFFAOYSA-N 1 1 305.491 3.564 20 30 DHEDMO CN(C)CC[N@H+](Cc1cc(C#N)cs1)CC1CCCCC1 ZINC000573140659 1027266825 /nfs/dbraw/zinc/26/68/25/1027266825.db2.gz ZRBZPOCQCCDBKU-UHFFFAOYSA-N 1 1 305.491 3.564 20 30 DHEDMO N#CC1(CCCC[N@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)CCC1 ZINC000931908017 1027297964 /nfs/dbraw/zinc/29/79/64/1027297964.db2.gz FXIWGWCHPOAAQX-CTNGQTDRSA-N 1 1 324.468 3.751 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1F ZINC000931916869 1027302782 /nfs/dbraw/zinc/30/27/82/1027302782.db2.gz KGKYPOHTEAIXIO-ZDUSSCGKSA-N 1 1 316.273 3.564 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1F ZINC000931916869 1027302801 /nfs/dbraw/zinc/30/28/01/1027302801.db2.gz KGKYPOHTEAIXIO-ZDUSSCGKSA-N 1 1 316.273 3.564 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931918549 1027304317 /nfs/dbraw/zinc/30/43/17/1027304317.db2.gz PWQXLZDYHFEXHW-CYBMUJFWSA-N 1 1 316.273 3.564 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931918549 1027304333 /nfs/dbraw/zinc/30/43/33/1027304333.db2.gz PWQXLZDYHFEXHW-CYBMUJFWSA-N 1 1 316.273 3.564 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)ccc1F ZINC000931917395 1027304458 /nfs/dbraw/zinc/30/44/58/1027304458.db2.gz YAWHIBBAWAFRPC-CYBMUJFWSA-N 1 1 316.273 3.564 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000574126753 1027365071 /nfs/dbraw/zinc/36/50/71/1027365071.db2.gz DKLZXGFCGNWLDQ-ROUUACIJSA-N 1 1 301.430 3.641 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC000932197799 1027410187 /nfs/dbraw/zinc/41/01/87/1027410187.db2.gz QWUMPTRIBPJGMT-KRWDZBQOSA-N 1 1 311.454 3.512 20 30 DHEDMO C=CCOc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423099518 1027414678 /nfs/dbraw/zinc/41/46/78/1027414678.db2.gz FIRNOECBBMRLFF-VAMGGRTRSA-N 1 1 314.473 3.652 20 30 DHEDMO Cc1cc(Nc2cccnc2C#N)c[nH+]c1N1CCCC[C@H]1C ZINC000574851237 1027434938 /nfs/dbraw/zinc/43/49/38/1027434938.db2.gz YIUKAUKCHHVXDB-CQSZACIVSA-N 1 1 307.401 3.779 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812847420 1027443189 /nfs/dbraw/zinc/44/31/89/1027443189.db2.gz DBBWHUUMZHIVOW-MGPUTAFESA-N 1 1 324.424 3.511 20 30 DHEDMO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000574946535 1027443517 /nfs/dbraw/zinc/44/35/17/1027443517.db2.gz LNKFFGKJXFNRRR-AABGKKOBSA-N 1 1 311.473 3.571 20 30 DHEDMO CC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850791 1027445693 /nfs/dbraw/zinc/44/56/93/1027445693.db2.gz XXMRZVLVABRXSQ-YWZLYKJASA-N 1 1 324.424 3.511 20 30 DHEDMO CC[N@@H+](Cc1cccc(C#N)c1F)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812848235 1027446604 /nfs/dbraw/zinc/44/66/04/1027446604.db2.gz IMCQINDTHUXJFY-AUUYWEPGSA-N 1 1 312.388 3.641 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCc3cc(F)cc(F)c3C1)CC2 ZINC001170689496 1027454817 /nfs/dbraw/zinc/45/48/17/1027454817.db2.gz KSTZGYWNZSTEKQ-GOSISDBHSA-N 1 1 324.374 3.752 20 30 DHEDMO C#CC[N@@H+](CC(=O)Nc1c(C)cccc1C(C)C)C(C)(C)C ZINC000932465870 1027504808 /nfs/dbraw/zinc/50/48/08/1027504808.db2.gz OOOZSWHIYDNINN-UHFFFAOYSA-N 1 1 300.446 3.791 20 30 DHEDMO C#CC[N@H+](CC(=O)Nc1c(C)cccc1C(C)C)C(C)(C)C ZINC000932465870 1027504814 /nfs/dbraw/zinc/50/48/14/1027504814.db2.gz OOOZSWHIYDNINN-UHFFFAOYSA-N 1 1 300.446 3.791 20 30 DHEDMO C#CC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)(C)C ZINC000932465875 1027505456 /nfs/dbraw/zinc/50/54/56/1027505456.db2.gz OSQUJOHZTBXKBL-UHFFFAOYSA-N 1 1 303.793 3.624 20 30 DHEDMO C#CC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)(C)C ZINC000932465875 1027505466 /nfs/dbraw/zinc/50/54/66/1027505466.db2.gz OSQUJOHZTBXKBL-UHFFFAOYSA-N 1 1 303.793 3.624 20 30 DHEDMO Cc1c([C@@H]2CCC[N@H+]2Cc2ccccc2C(C)(C)C#N)cnn1C ZINC000363152413 1027536617 /nfs/dbraw/zinc/53/66/17/1027536617.db2.gz VWYJABPHNRDMHL-IBGZPJMESA-N 1 1 322.456 3.867 20 30 DHEDMO C=CC[C@@H](C(=O)N(CC)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000576135289 1027569597 /nfs/dbraw/zinc/56/95/97/1027569597.db2.gz DMFOWHIMJLDLLX-RTBURBONSA-N 1 1 314.473 3.679 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000047726371 1027675449 /nfs/dbraw/zinc/67/54/49/1027675449.db2.gz ZLDDPEXKSAUHIS-UHFFFAOYSA-N 1 1 309.369 3.879 20 30 DHEDMO Cc1csc(C[C@@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC000933133072 1027682452 /nfs/dbraw/zinc/68/24/52/1027682452.db2.gz XJFDUBKQCRIIOU-ZDUSSCGKSA-N 1 1 315.417 3.527 20 30 DHEDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)n1 ZINC000933133072 1027682463 /nfs/dbraw/zinc/68/24/63/1027682463.db2.gz XJFDUBKQCRIIOU-ZDUSSCGKSA-N 1 1 315.417 3.527 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@H+](CCC/C=C\CC)CC2)C1=O ZINC001275842009 1027684578 /nfs/dbraw/zinc/68/45/78/1027684578.db2.gz GRWUBTRIWSVDOO-SFFCAUCYSA-N 1 1 304.478 3.623 20 30 DHEDMO CC1(C)[C@@H]2C[C@@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C[C@@H]21 ZINC001170715618 1027760265 /nfs/dbraw/zinc/76/02/65/1027760265.db2.gz JMXAZCYIDGXQMM-WHUPJOBBSA-N 1 1 307.253 3.844 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2CCCCC/C=C\CC)C1=O ZINC001275863349 1027764531 /nfs/dbraw/zinc/76/45/31/1027764531.db2.gz ZKKOPZLPWFWHNH-VOFKWLDRSA-N 1 1 304.478 3.766 20 30 DHEDMO N#Cc1ccc(C2CC[NH+](Cc3nc4c(o3)CCCC4)CC2)cc1 ZINC000933607043 1027774880 /nfs/dbraw/zinc/77/48/80/1027774880.db2.gz NBRHHPWLJNTHIY-UHFFFAOYSA-N 1 1 321.424 3.805 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@H+]([C@@H]3CCc4ccccc43)CCO2)cc1 ZINC000933627641 1027782822 /nfs/dbraw/zinc/78/28/22/1027782822.db2.gz GWZLGVUSBDDBOT-UXHICEINSA-N 1 1 304.393 3.619 20 30 DHEDMO C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933652751 1027787704 /nfs/dbraw/zinc/78/77/04/1027787704.db2.gz MGQCLBDCHVUGRI-GFCCVEGCSA-N 1 1 323.795 3.878 20 30 DHEDMO C=C(C)CN1CC[C@]2(CC[N@H+](CC[C@@H](C)CC(C)(C)C)C2)C1=O ZINC001275888411 1027804152 /nfs/dbraw/zinc/80/41/52/1027804152.db2.gz IHKLUILVFXRBPQ-XLIONFOSSA-N 1 1 320.521 3.949 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1 ZINC000814171438 1027906866 /nfs/dbraw/zinc/90/68/66/1027906866.db2.gz OTYLMKMZYLSGPI-IBGZPJMESA-N 1 1 306.409 3.677 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1 ZINC000814171438 1027906881 /nfs/dbraw/zinc/90/68/81/1027906881.db2.gz OTYLMKMZYLSGPI-IBGZPJMESA-N 1 1 306.409 3.677 20 30 DHEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000934273566 1027948734 /nfs/dbraw/zinc/94/87/34/1027948734.db2.gz FVRSGBIETVIQHQ-ZHALLVOQSA-N 1 1 314.473 3.758 20 30 DHEDMO Cc1cc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)ccc1C#N ZINC000577945935 1027998647 /nfs/dbraw/zinc/99/86/47/1027998647.db2.gz SKXCIZVSZXYJNA-HXUWFJFHSA-N 1 1 306.409 3.614 20 30 DHEDMO Cc1cc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)ccc1C#N ZINC000577945935 1027998660 /nfs/dbraw/zinc/99/86/60/1027998660.db2.gz SKXCIZVSZXYJNA-HXUWFJFHSA-N 1 1 306.409 3.614 20 30 DHEDMO Cc1nc(CC[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cs1 ZINC000367209661 1028147991 /nfs/dbraw/zinc/14/79/91/1028147991.db2.gz TVGGLLPUNAITPP-UHFFFAOYSA-N 1 1 309.438 3.655 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)cc1 ZINC000367251647 1028154201 /nfs/dbraw/zinc/15/42/01/1028154201.db2.gz OYMMCLMGYSGOBB-BMGDILEWSA-N 1 1 314.429 3.509 20 30 DHEDMO CC(=[NH+]NCc1cnc2ccccc2c1)c1ccc(Cl)c(N)c1 ZINC000814877102 1028257492 /nfs/dbraw/zinc/25/74/92/1028257492.db2.gz PRVWEKXRCKLDMA-UHFFFAOYSA-N 1 1 324.815 3.984 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)OCCCCO2 ZINC000449010649 1028259865 /nfs/dbraw/zinc/25/98/65/1028259865.db2.gz MIXHJXVRNKGWRZ-UHFFFAOYSA-N 1 1 322.408 3.742 20 30 DHEDMO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1ccc(C#N)s1)C2 ZINC000367959217 1028266374 /nfs/dbraw/zinc/26/63/74/1028266374.db2.gz UNGYYZKXKOZAGF-UHFFFAOYSA-N 1 1 310.422 3.676 20 30 DHEDMO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1ccc(C#N)s1)C2 ZINC000367959217 1028266386 /nfs/dbraw/zinc/26/63/86/1028266386.db2.gz UNGYYZKXKOZAGF-UHFFFAOYSA-N 1 1 310.422 3.676 20 30 DHEDMO Cn1cc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000367971684 1028267891 /nfs/dbraw/zinc/26/78/91/1028267891.db2.gz DMEXPYKETBOIBJ-LJQANCHMSA-N 1 1 320.440 3.579 20 30 DHEDMO N#CCCCOc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000368041352 1028286233 /nfs/dbraw/zinc/28/62/33/1028286233.db2.gz KTZBMZBNBCNHHY-LJQANCHMSA-N 1 1 324.428 3.819 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)c1 ZINC000368041352 1028286245 /nfs/dbraw/zinc/28/62/45/1028286245.db2.gz KTZBMZBNBCNHHY-LJQANCHMSA-N 1 1 324.428 3.819 20 30 DHEDMO C[C@H](CC#N)[N@H+](C)Cc1ccnc2c(Br)cccc12 ZINC000449022108 1028291596 /nfs/dbraw/zinc/29/15/96/1028291596.db2.gz GTWXPEKSPAUXJF-LLVKDONJSA-N 1 1 318.218 3.731 20 30 DHEDMO C[C@H](CC#N)[N@@H+](C)Cc1ccnc2c(Br)cccc12 ZINC000449022108 1028291614 /nfs/dbraw/zinc/29/16/14/1028291614.db2.gz GTWXPEKSPAUXJF-LLVKDONJSA-N 1 1 318.218 3.731 20 30 DHEDMO C=CCOCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000815060465 1028343737 /nfs/dbraw/zinc/34/37/37/1028343737.db2.gz UKWFNZKUJMVIRI-MOPGFXCFSA-N 1 1 303.446 3.557 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000579359457 1028389320 /nfs/dbraw/zinc/38/93/20/1028389320.db2.gz LRRGLJZGXMYRRJ-KRWDZBQOSA-N 1 1 307.353 3.586 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)cc1 ZINC000368636899 1028389700 /nfs/dbraw/zinc/38/97/00/1028389700.db2.gz IZWIBALXZPRZGG-HOTGVXAUSA-N 1 1 322.408 3.761 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000779143612 1028423245 /nfs/dbraw/zinc/42/32/45/1028423245.db2.gz DDPHJSJXBWWAKL-UHFFFAOYSA-N 1 1 316.445 3.992 20 30 DHEDMO C=C(C)C[N@H+]1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815204285 1028427485 /nfs/dbraw/zinc/42/74/85/1028427485.db2.gz QHAWEYOUYAKVBN-JKSUJKDBSA-N 1 1 308.466 3.674 20 30 DHEDMO COCC[N@@H+](CCCC(C)(C)C#N)[C@H]1CCCc2cccnc21 ZINC000369007507 1028433520 /nfs/dbraw/zinc/43/35/20/1028433520.db2.gz FJBQYQPAMHZJGW-KRWDZBQOSA-N 1 1 315.461 3.737 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2Cc3ccccc3OC[C@@H]2C)cc1 ZINC000369225770 1028463014 /nfs/dbraw/zinc/46/30/14/1028463014.db2.gz KDBKRESWCJHBHS-HOTGVXAUSA-N 1 1 322.408 3.761 20 30 DHEDMO C[N@H+]1CC[C@@H](CNc2ccc(C#N)cc2F)[C@H]1c1cccs1 ZINC000369562014 1028503656 /nfs/dbraw/zinc/50/36/56/1028503656.db2.gz VVGQHXGQJHPSEM-GUYCJALGSA-N 1 1 315.417 3.864 20 30 DHEDMO COc1cccc([C@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)c1 ZINC000009902269 1028524116 /nfs/dbraw/zinc/52/41/16/1028524116.db2.gz DULGPCNSUYRGGY-HXUWFJFHSA-N 1 1 322.408 3.783 20 30 DHEDMO C=CCCCC[C@@H](C)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000449334591 1028567092 /nfs/dbraw/zinc/56/70/92/1028567092.db2.gz FPVDETAHKCHYSX-APWZRJJASA-N 1 1 302.462 3.800 20 30 DHEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000370116476 1028569430 /nfs/dbraw/zinc/56/94/30/1028569430.db2.gz HRXBMNVLANQBNM-LJQANCHMSA-N 1 1 316.408 3.782 20 30 DHEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000370116476 1028569434 /nfs/dbraw/zinc/56/94/34/1028569434.db2.gz HRXBMNVLANQBNM-LJQANCHMSA-N 1 1 316.408 3.782 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000565322459 1028575870 /nfs/dbraw/zinc/57/58/70/1028575870.db2.gz WQHKMIBSLPAWOD-OAHLLOKOSA-N 1 1 306.475 3.527 20 30 DHEDMO Cc1cnc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)s1 ZINC000370426533 1028599651 /nfs/dbraw/zinc/59/96/51/1028599651.db2.gz YJGAIJQBJXLJFF-CQSZACIVSA-N 1 1 315.417 3.842 20 30 DHEDMO C[C@@H]1C[C@H](c2cccs2)C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000370566783 1028617510 /nfs/dbraw/zinc/61/75/10/1028617510.db2.gz ZFXPBJXQFSKPGY-COXVUDFISA-N 1 1 312.438 3.531 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000565861010 1028645187 /nfs/dbraw/zinc/64/51/87/1028645187.db2.gz JIZRQVHSRJFGOU-HXUWFJFHSA-N 1 1 322.383 3.667 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000565861010 1028645191 /nfs/dbraw/zinc/64/51/91/1028645191.db2.gz JIZRQVHSRJFGOU-HXUWFJFHSA-N 1 1 322.383 3.667 20 30 DHEDMO COc1ccc(C(C)(C)[NH2+]Cc2ccc(F)cc2C#N)cc1F ZINC000528676316 1028651106 /nfs/dbraw/zinc/65/11/06/1028651106.db2.gz RNWPIPNWWNEYMV-UHFFFAOYSA-N 1 1 316.351 3.870 20 30 DHEDMO COC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000565943834 1028656433 /nfs/dbraw/zinc/65/64/33/1028656433.db2.gz XRXWYHJEVPHOLQ-GOSISDBHSA-N 1 1 317.791 3.808 20 30 DHEDMO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CCCCC#N)C[C@H](C)C2 ZINC000371363039 1028694822 /nfs/dbraw/zinc/69/48/22/1028694822.db2.gz ZAOZEECNMNMLDG-HUUCEWRRSA-N 1 1 316.445 3.953 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000566301481 1028699264 /nfs/dbraw/zinc/69/92/64/1028699264.db2.gz MHNXCBRHEBJDFU-KRWDZBQOSA-N 1 1 321.380 3.531 20 30 DHEDMO CCO[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@@H]1C ZINC000449497784 1028711370 /nfs/dbraw/zinc/71/13/70/1028711370.db2.gz RQLPJSFGWDBSFN-QFBILLFUSA-N 1 1 316.445 3.616 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cn1cnc2cc(C)c(C)cc21 ZINC000778585599 1028889640 /nfs/dbraw/zinc/88/96/40/1028889640.db2.gz SUOMXRWUMMKVGV-UHFFFAOYSA-N 1 1 309.413 3.934 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H]2CCOC[C@@H]2C)cc1 ZINC001170831259 1028932637 /nfs/dbraw/zinc/93/26/37/1028932637.db2.gz MASAUEVZUWRVIF-KFKAGJAMSA-N 1 1 300.446 3.846 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816594192 1028937587 /nfs/dbraw/zinc/93/75/87/1028937587.db2.gz SNMYRZYNZWGSMD-MRXNPFEDSA-N 1 1 316.763 3.833 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cccc(CC#N)c1 ZINC000449703655 1028938057 /nfs/dbraw/zinc/93/80/57/1028938057.db2.gz UOBQIQNDXZFHCF-OXJNMPFZSA-N 1 1 305.425 3.685 20 30 DHEDMO C=C(CC)C[NH2+]Cc1csc(COc2ccc(OC)cc2)n1 ZINC000449731904 1028939712 /nfs/dbraw/zinc/93/97/12/1028939712.db2.gz KDOHQAZRAPGURZ-UHFFFAOYSA-N 1 1 318.442 3.787 20 30 DHEDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccc(C#N)c1 ZINC000816554009 1028943206 /nfs/dbraw/zinc/94/32/06/1028943206.db2.gz MHXBSUUYMQLJDN-SNVBAGLBSA-N 1 1 304.752 3.907 20 30 DHEDMO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000373118084 1028955452 /nfs/dbraw/zinc/95/54/52/1028955452.db2.gz NENQUGZVYZHCOH-DLBZAZTESA-N 1 1 319.493 3.572 20 30 DHEDMO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000373118086 1028956276 /nfs/dbraw/zinc/95/62/76/1028956276.db2.gz NENQUGZVYZHCOH-IRXDYDNUSA-N 1 1 319.493 3.572 20 30 DHEDMO C#CCCOc1ccc(CN2CC[N@H+](C)Cc3ccccc32)cc1 ZINC000816618403 1028964148 /nfs/dbraw/zinc/96/41/48/1028964148.db2.gz WUFPNJPEVJLUIG-UHFFFAOYSA-N 1 1 320.436 3.541 20 30 DHEDMO N#Cc1ccccc1C[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000449765403 1028982101 /nfs/dbraw/zinc/98/21/01/1028982101.db2.gz ICUROBNYOMDEDM-QGZVFWFLSA-N 1 1 312.438 3.613 20 30 DHEDMO COC[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000449771723 1028985625 /nfs/dbraw/zinc/98/56/25/1028985625.db2.gz FYLCAFSHVGBOFR-QGZVFWFLSA-N 1 1 316.445 3.618 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc(OCC)n1 ZINC000120007516 1028999007 /nfs/dbraw/zinc/99/90/07/1028999007.db2.gz GJBPEVFBHARQKP-UHFFFAOYSA-N 1 1 307.397 3.540 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(OCC)n1 ZINC000120007516 1028999020 /nfs/dbraw/zinc/99/90/20/1028999020.db2.gz GJBPEVFBHARQKP-UHFFFAOYSA-N 1 1 307.397 3.540 20 30 DHEDMO N#Cc1ccccc1N1CCC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000411169541 1029053306 /nfs/dbraw/zinc/05/33/06/1029053306.db2.gz UDKCCYVDXHUMRG-TZIWHRDSSA-N 1 1 317.436 3.626 20 30 DHEDMO N#CC1(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCCCC1 ZINC000411397535 1029123238 /nfs/dbraw/zinc/12/32/38/1029123238.db2.gz HUSBFWYJLAVMQO-HKUYNNGSSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CC[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CCCCC1 ZINC000411397535 1029123250 /nfs/dbraw/zinc/12/32/50/1029123250.db2.gz HUSBFWYJLAVMQO-HKUYNNGSSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CC[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CCCCC1 ZINC000411397535 1029123254 /nfs/dbraw/zinc/12/32/54/1029123254.db2.gz HUSBFWYJLAVMQO-HKUYNNGSSA-N 1 1 315.505 3.799 20 30 DHEDMO CCCCCCCCCC[C@H](C)[NH2+]CCN1CCN(C)CC1 ZINC001257548731 1029147548 /nfs/dbraw/zinc/14/75/48/1029147548.db2.gz YKGKVZGLMCFVRD-IBGZPJMESA-N 1 1 311.558 3.743 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411737051 1029193630 /nfs/dbraw/zinc/19/36/30/1029193630.db2.gz OJPZIRFEIOUEJH-VQTJNVASSA-N 1 1 324.399 3.702 20 30 DHEDMO C[C@@H](CCC#N)N1CCCC2(CCC[N@H+]([C@@H](C)CCC#N)C2)C1 ZINC000411758778 1029202875 /nfs/dbraw/zinc/20/28/75/1029202875.db2.gz VJNKWVFBVBVHJO-ADUPEVMXSA-N 1 1 316.493 3.549 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000569307760 1029215672 /nfs/dbraw/zinc/21/56/72/1029215672.db2.gz VYJJEGVZTJREGW-QGZVFWFLSA-N 1 1 316.445 3.763 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2CCCCC(C)(C)C#N)C1 ZINC000374170384 1029224882 /nfs/dbraw/zinc/22/48/82/1029224882.db2.gz GPUALJPLYCKAKK-OWSLCNJRSA-N 1 1 306.494 3.968 20 30 DHEDMO Cc1cnc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)s1 ZINC000374234711 1029252045 /nfs/dbraw/zinc/25/20/45/1029252045.db2.gz ULHCSYFVAQPZJG-HNNXBMFYSA-N 1 1 315.417 3.842 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000374289065 1029277356 /nfs/dbraw/zinc/27/73/56/1029277356.db2.gz UPSBRLIKDMXGRJ-MRXNPFEDSA-N 1 1 314.477 3.729 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000817948046 1029292379 /nfs/dbraw/zinc/29/23/79/1029292379.db2.gz SUHDYOOLVSQAQL-YQQAZPJKSA-N 1 1 322.880 3.857 20 30 DHEDMO Cc1cc(NC(=O)c2ccccc2SCC#N)cn2cc[nH+]c12 ZINC000818056425 1029339630 /nfs/dbraw/zinc/33/96/30/1029339630.db2.gz LNACPOHFJVMOIM-UHFFFAOYSA-N 1 1 322.393 3.511 20 30 DHEDMO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570282866 1029345623 /nfs/dbraw/zinc/34/56/23/1029345623.db2.gz HTXQBIXNEDWSOD-CYBMUJFWSA-N 1 1 307.353 3.586 20 30 DHEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000570282866 1029345641 /nfs/dbraw/zinc/34/56/41/1029345641.db2.gz HTXQBIXNEDWSOD-CYBMUJFWSA-N 1 1 307.353 3.586 20 30 DHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)CC1(C#N)CCC1 ZINC000450340354 1029385516 /nfs/dbraw/zinc/38/55/16/1029385516.db2.gz VKZWRCORMRWEHA-UHFFFAOYSA-N 1 1 309.413 3.900 20 30 DHEDMO CC(C)(C)[N@H+]1CC[C@@H](NCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000374779828 1029458033 /nfs/dbraw/zinc/45/80/33/1029458033.db2.gz MUKLCFDKDOGURF-CABCVRRESA-N 1 1 309.816 3.506 20 30 DHEDMO CC(C)(C)[N@@H+]1CC[C@@H](NCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000374779828 1029458032 /nfs/dbraw/zinc/45/80/32/1029458032.db2.gz MUKLCFDKDOGURF-CABCVRRESA-N 1 1 309.816 3.506 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000121076419 1029493537 /nfs/dbraw/zinc/49/35/37/1029493537.db2.gz IALQEKXKALHTGY-LSDHHAIUSA-N 1 1 306.475 3.698 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)c1 ZINC000529663926 1029499088 /nfs/dbraw/zinc/49/90/88/1029499088.db2.gz NHFGAKRORWJSAA-LJQANCHMSA-N 1 1 324.449 3.980 20 30 DHEDMO C=C[C@@H](CC)CC(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001136201191 1029514877 /nfs/dbraw/zinc/51/48/77/1029514877.db2.gz ZMAYVGFCXIJETI-LPHOPBHVSA-N 1 1 314.473 3.542 20 30 DHEDMO N#CC1(C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)CCC1 ZINC000450603973 1029565006 /nfs/dbraw/zinc/56/50/06/1029565006.db2.gz VLLMVTGDDAWFSC-MRXNPFEDSA-N 1 1 300.377 3.557 20 30 DHEDMO N#CC1(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)CCC1 ZINC000450603973 1029565012 /nfs/dbraw/zinc/56/50/12/1029565012.db2.gz VLLMVTGDDAWFSC-MRXNPFEDSA-N 1 1 300.377 3.557 20 30 DHEDMO CN(C)c1[nH+]cc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)n1C ZINC000821029118 1029801592 /nfs/dbraw/zinc/80/15/92/1029801592.db2.gz ZBAQRZLRAQZPFA-QXMHVHEDSA-N 1 1 311.429 3.680 20 30 DHEDMO C=CC[N@H+](CCOc1ccc(C#N)cc1OC)Cc1ccccc1 ZINC000303854818 1029836190 /nfs/dbraw/zinc/83/61/90/1029836190.db2.gz OTMNYIWWKJBCEH-UHFFFAOYSA-N 1 1 322.408 3.634 20 30 DHEDMO O[C@@H]1CCC[C@H]1[C@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000451347396 1029847515 /nfs/dbraw/zinc/84/75/15/1029847515.db2.gz UHRHZPPZFWRJEI-IPMKNSEASA-N 1 1 317.860 3.707 20 30 DHEDMO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000451341742 1029852385 /nfs/dbraw/zinc/85/23/85/1029852385.db2.gz LQUOBODFKCLUMJ-NZSAHSFTSA-N 1 1 317.860 3.707 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451353343 1029853159 /nfs/dbraw/zinc/85/31/59/1029853159.db2.gz NZYCNOWEYJEMTL-KSZLIROESA-N 1 1 318.848 3.727 20 30 DHEDMO N#CCC[C@H](C#N)C[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451357747 1029854278 /nfs/dbraw/zinc/85/42/78/1029854278.db2.gz UGGWFZPCXFJBMH-BZNIZROVSA-N 1 1 305.784 3.963 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000451409083 1029863748 /nfs/dbraw/zinc/86/37/48/1029863748.db2.gz PNYNLFSONAMGKR-SMDDNHRTSA-N 1 1 312.335 3.730 20 30 DHEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000451418964 1029871594 /nfs/dbraw/zinc/87/15/94/1029871594.db2.gz NSEHWUPVRCFPTQ-OCCSQVGLSA-N 1 1 312.335 3.600 20 30 DHEDMO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1csc(Nc2ccc(C)cc2)n1 ZINC000451599592 1029933295 /nfs/dbraw/zinc/93/32/95/1029933295.db2.gz OWDPYCIXNHVDSJ-CVEARBPZSA-N 1 1 315.442 3.628 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000304308314 1029940010 /nfs/dbraw/zinc/94/00/10/1029940010.db2.gz KVULUYIYDBKNSJ-AABGKKOBSA-N 1 1 324.399 3.631 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000304308314 1029940022 /nfs/dbraw/zinc/94/00/22/1029940022.db2.gz KVULUYIYDBKNSJ-AABGKKOBSA-N 1 1 324.399 3.631 20 30 DHEDMO CC[C@@H](C)[N@@H+](C)CCNc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000357233731 1029960760 /nfs/dbraw/zinc/96/07/60/1029960760.db2.gz MBJQNYBNAMMCSQ-LLVKDONJSA-N 1 1 318.371 3.527 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1(C)CCCCC1 ZINC001276290764 1029975501 /nfs/dbraw/zinc/97/55/01/1029975501.db2.gz ZTMCEVNVRJGOOR-IBGZPJMESA-N 1 1 304.478 3.600 20 30 DHEDMO C=CCC1(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)CCCC1 ZINC000451726455 1029977631 /nfs/dbraw/zinc/97/76/31/1029977631.db2.gz UGOCFSJOFIREMV-UHFFFAOYSA-N 1 1 318.461 3.696 20 30 DHEDMO N#Cc1c(C[N@@H+]2CCC[C@@H]2c2ccccn2)cn2ccccc12 ZINC000530724916 1029985267 /nfs/dbraw/zinc/98/52/67/1029985267.db2.gz QYBLUXODWYOKSE-LJQANCHMSA-N 1 1 302.381 3.543 20 30 DHEDMO N#Cc1c(C[N@H+]2CCC[C@@H]2c2ccccn2)cn2ccccc12 ZINC000530724916 1029985276 /nfs/dbraw/zinc/98/52/76/1029985276.db2.gz QYBLUXODWYOKSE-LJQANCHMSA-N 1 1 302.381 3.543 20 30 DHEDMO N#Cc1c(C[N@@H+]2CCC[C@H]2c2ccccn2)cn2ccccc12 ZINC000530724912 1029986122 /nfs/dbraw/zinc/98/61/22/1029986122.db2.gz QYBLUXODWYOKSE-IBGZPJMESA-N 1 1 302.381 3.543 20 30 DHEDMO N#Cc1c(C[N@H+]2CCC[C@H]2c2ccccn2)cn2ccccc12 ZINC000530724912 1029986132 /nfs/dbraw/zinc/98/61/32/1029986132.db2.gz QYBLUXODWYOKSE-IBGZPJMESA-N 1 1 302.381 3.543 20 30 DHEDMO C=CCCC[C@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC001136598250 1030065168 /nfs/dbraw/zinc/06/51/68/1030065168.db2.gz YJEYMTMWTQSKLM-LPHOPBHVSA-N 1 1 314.473 3.725 20 30 DHEDMO N#CCC[C@H](C#N)C[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000451958822 1030067959 /nfs/dbraw/zinc/06/79/59/1030067959.db2.gz MMNCYEHLWMQKCD-OAHLLOKOSA-N 1 1 317.383 3.663 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)C1CC1 ZINC000357550896 1030101039 /nfs/dbraw/zinc/10/10/39/1030101039.db2.gz HTHOSOBXWLIAEG-AWEZNQCLSA-N 1 1 312.413 3.603 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)C1CC1 ZINC000357550896 1030101042 /nfs/dbraw/zinc/10/10/42/1030101042.db2.gz HTHOSOBXWLIAEG-AWEZNQCLSA-N 1 1 312.413 3.603 20 30 DHEDMO N#Cc1csc(CNc2cc(CCc3ccccc3)cc[nH+]2)n1 ZINC000357696989 1030153721 /nfs/dbraw/zinc/15/37/21/1030153721.db2.gz HGEFNRDMDYDQGO-UHFFFAOYSA-N 1 1 320.421 3.807 20 30 DHEDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866236979 1030171246 /nfs/dbraw/zinc/17/12/46/1030171246.db2.gz GPRSKLNWBXZWIF-NEPJUHHUSA-N 1 1 314.360 3.823 20 30 DHEDMO COc1ccc2c(c1)C1(CC1)C[N@@H+](CC#Cc1ccccc1)C2 ZINC000557528674 1030175595 /nfs/dbraw/zinc/17/55/95/1030175595.db2.gz FNDQUIAAGQWNSK-UHFFFAOYSA-N 1 1 303.405 3.594 20 30 DHEDMO COc1ccc2c(c1)C1(CC1)C[N@H+](CC#Cc1ccccc1)C2 ZINC000557528674 1030175604 /nfs/dbraw/zinc/17/56/04/1030175604.db2.gz FNDQUIAAGQWNSK-UHFFFAOYSA-N 1 1 303.405 3.594 20 30 DHEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1nc(C(F)(F)F)ccc1C#N ZINC000357774966 1030181767 /nfs/dbraw/zinc/18/17/67/1030181767.db2.gz NLMMJHGYVKKBIQ-LLVKDONJSA-N 1 1 314.355 3.504 20 30 DHEDMO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000357790686 1030190941 /nfs/dbraw/zinc/19/09/41/1030190941.db2.gz YIKHUXMARQRTLX-OAHLLOKOSA-N 1 1 301.393 3.758 20 30 DHEDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cn2ccccc2c1C#N ZINC000357790686 1030190948 /nfs/dbraw/zinc/19/09/48/1030190948.db2.gz YIKHUXMARQRTLX-OAHLLOKOSA-N 1 1 301.393 3.758 20 30 DHEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)C12CCC2 ZINC000357801937 1030198774 /nfs/dbraw/zinc/19/87/74/1030198774.db2.gz KWPHXZGUCIWGNE-OALUTQOASA-N 1 1 323.440 3.590 20 30 DHEDMO C[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1cccc(C#N)c1O ZINC000866295590 1030210979 /nfs/dbraw/zinc/21/09/79/1030210979.db2.gz GTNLMHLZQBXXGB-ZBEGNZNMSA-N 1 1 312.344 3.577 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000533234930 1030213593 /nfs/dbraw/zinc/21/35/93/1030213593.db2.gz SJWXWAFLQKRLGA-XHSDSOJGSA-N 1 1 320.502 3.629 20 30 DHEDMO C=CCN1CCC([NH2+][C@@H](c2cccc(C)c2)c2ccccn2)CC1 ZINC000924983245 1030240071 /nfs/dbraw/zinc/24/00/71/1030240071.db2.gz CNEJNSVCDWZPHN-NRFANRHFSA-N 1 1 321.468 3.719 20 30 DHEDMO C=CCN1CCC([NH2+][C@H](c2cccc(C)c2)c2ccccn2)CC1 ZINC000924983246 1030240607 /nfs/dbraw/zinc/24/06/07/1030240607.db2.gz CNEJNSVCDWZPHN-OAQYLSRUSA-N 1 1 321.468 3.719 20 30 DHEDMO C=CCN1CCC([NH2+][C@H](c2ccc(C)cc2)c2ccccn2)CC1 ZINC000924984003 1030240935 /nfs/dbraw/zinc/24/09/35/1030240935.db2.gz LJVCOFCUPLEGCW-OAQYLSRUSA-N 1 1 321.468 3.719 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H]3C3CCCC3)o2)cc1 ZINC000173557369 1030253741 /nfs/dbraw/zinc/25/37/41/1030253741.db2.gz GCQWHDNDVIRTNL-KRWDZBQOSA-N 1 1 322.412 3.763 20 30 DHEDMO COc1ccccc1C1([NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866382470 1030266337 /nfs/dbraw/zinc/26/63/37/1030266337.db2.gz PVJJOEBBBPIIQR-ZDUSSCGKSA-N 1 1 308.381 3.612 20 30 DHEDMO CCc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026323819 1030287830 /nfs/dbraw/zinc/28/78/30/1030287830.db2.gz RZCUQXVQBFZZLK-HNNXBMFYSA-N 1 1 321.424 3.580 20 30 DHEDMO CCc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000026323819 1030287835 /nfs/dbraw/zinc/28/78/35/1030287835.db2.gz RZCUQXVQBFZZLK-HNNXBMFYSA-N 1 1 321.424 3.580 20 30 DHEDMO Cc1cc(NC(=[NH2+])c2ccc3ccccc3n2)ccc1N(C)C ZINC001171047478 1030479928 /nfs/dbraw/zinc/47/99/28/1030479928.db2.gz FPJQXTJPFJSOOU-UHFFFAOYSA-N 1 1 304.397 3.646 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCc2c(Cl)cccc2C1 ZINC001171051018 1030504480 /nfs/dbraw/zinc/50/44/80/1030504480.db2.gz UXNZEVIYUZXMPV-HNKHHVNMSA-N 1 1 300.833 3.964 20 30 DHEDMO CC(C)c1cccc(NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)c1 ZINC000867946465 1030504870 /nfs/dbraw/zinc/50/48/70/1030504870.db2.gz RCKCZPZVMAMNPZ-LJQANCHMSA-N 1 1 319.408 3.507 20 30 DHEDMO C#CC[N@H+]1CCCN(C(=O)/C=C\CCCCCCCCC)CC1 ZINC001136863160 1030533113 /nfs/dbraw/zinc/53/31/13/1030533113.db2.gz QUWCYAWCGJHRNO-OWBHPGMISA-N 1 1 318.505 3.851 20 30 DHEDMO C#CC[N@@H+]1CCCN(C(=O)/C=C\CCCCCCCCC)CC1 ZINC001136863160 1030533118 /nfs/dbraw/zinc/53/31/18/1030533118.db2.gz QUWCYAWCGJHRNO-OWBHPGMISA-N 1 1 318.505 3.851 20 30 DHEDMO COc1cc(F)cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000358596040 1030551720 /nfs/dbraw/zinc/55/17/20/1030551720.db2.gz WAWQJBKDNWTOLR-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO C[C@@H]1CC(N=Nc2cccc(F)n2)CC[N@H+]1Cc1ccccc1 ZINC000795008916 1030568626 /nfs/dbraw/zinc/56/86/26/1030568626.db2.gz STXYJDOKNDSSLJ-CQSZACIVSA-N 1 1 312.392 3.673 20 30 DHEDMO C#CC[N@@H+](Cc1cnc2cc(C)ccn12)[C@@H]1CCc2ccccc21 ZINC001136889693 1030569364 /nfs/dbraw/zinc/56/93/64/1030569364.db2.gz FLLXCGRNHAGCLP-HXUWFJFHSA-N 1 1 315.420 3.765 20 30 DHEDMO C#CC[N@H+](Cc1cnc2cc(C)ccn12)[C@@H]1CCc2ccccc21 ZINC001136889693 1030569368 /nfs/dbraw/zinc/56/93/68/1030569368.db2.gz FLLXCGRNHAGCLP-HXUWFJFHSA-N 1 1 315.420 3.765 20 30 DHEDMO CC(C)(C)Oc1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C#N ZINC000824722349 1030623091 /nfs/dbraw/zinc/62/30/91/1030623091.db2.gz QMNJXOWLVSDIQS-IRXDYDNUSA-N 1 1 313.445 3.774 20 30 DHEDMO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000248766440 1030767455 /nfs/dbraw/zinc/76/74/55/1030767455.db2.gz GZIKPECDGMQHHX-BJZITVGISA-N 1 1 309.388 3.982 20 30 DHEDMO C=CCCC[N@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000076736022 1030819344 /nfs/dbraw/zinc/81/93/44/1030819344.db2.gz QZWANVMNGXPPQS-UHFFFAOYSA-N 1 1 316.474 3.550 20 30 DHEDMO CC[C@H]([NH2+][C@H]1COCc2ccccc21)c1cccc(C#N)c1O ZINC000926598521 1030820828 /nfs/dbraw/zinc/82/08/28/1030820828.db2.gz NFAWHMHFPJMTOC-ROUUACIJSA-N 1 1 308.381 3.576 20 30 DHEDMO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000614924921 1030855478 /nfs/dbraw/zinc/85/54/78/1030855478.db2.gz PELHRDJFESGZEH-SWLSCSKDSA-N 1 1 312.335 3.663 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1c(C)cc(OC)nc1C ZINC000359298045 1030896349 /nfs/dbraw/zinc/89/63/49/1030896349.db2.gz KAZHMPSKCKRJRS-UHFFFAOYSA-N 1 1 300.402 3.531 20 30 DHEDMO C[C@H](CC#N)[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000161876814 1030952961 /nfs/dbraw/zinc/95/29/61/1030952961.db2.gz XPJIXOBTSGCETO-SNVBAGLBSA-N 1 1 314.216 3.556 20 30 DHEDMO C[C@H](CC#N)[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000161876814 1030952974 /nfs/dbraw/zinc/95/29/74/1030952974.db2.gz XPJIXOBTSGCETO-SNVBAGLBSA-N 1 1 314.216 3.556 20 30 DHEDMO C=CC[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001143712294 1030928031 /nfs/dbraw/zinc/92/80/31/1030928031.db2.gz SWHKALLHAQXUOM-UHFFFAOYSA-N 1 1 318.770 3.662 20 30 DHEDMO COC(=O)CC[N@H+](Cc1c(Cl)cccc1C#N)C1CCCC1 ZINC001143726643 1030933868 /nfs/dbraw/zinc/93/38/68/1030933868.db2.gz WMGFMZHDZRNKGY-UHFFFAOYSA-N 1 1 320.820 3.519 20 30 DHEDMO COC(=O)CC[N@@H+](Cc1c(Cl)cccc1C#N)C1CCCC1 ZINC001143726643 1030933886 /nfs/dbraw/zinc/93/38/86/1030933886.db2.gz WMGFMZHDZRNKGY-UHFFFAOYSA-N 1 1 320.820 3.519 20 30 DHEDMO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001143726418 1030934647 /nfs/dbraw/zinc/93/46/47/1030934647.db2.gz PTFHXTLPOHEGAR-HNNXBMFYSA-N 1 1 311.816 3.986 20 30 DHEDMO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001143726418 1030934660 /nfs/dbraw/zinc/93/46/60/1030934660.db2.gz PTFHXTLPOHEGAR-HNNXBMFYSA-N 1 1 311.816 3.986 20 30 DHEDMO CC1(C)OCCC12CC[NH+](Cc1c(Cl)cccc1C#N)CC2 ZINC001143732135 1030935977 /nfs/dbraw/zinc/93/59/77/1030935977.db2.gz MGILQGHMOZKZKS-UHFFFAOYSA-N 1 1 318.848 3.993 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2F)C1 ZINC001143791531 1030972121 /nfs/dbraw/zinc/97/21/21/1030972121.db2.gz SWXUYUFHXHPZRS-LLVKDONJSA-N 1 1 301.283 3.570 20 30 DHEDMO Cc1ccc(C[NH2+][C@@H]2COCc3cccc(Cl)c32)cc1C#N ZINC000926966463 1031017689 /nfs/dbraw/zinc/01/76/89/1031017689.db2.gz WTXCBAPTFTXMFP-QGZVFWFLSA-N 1 1 312.800 3.881 20 30 DHEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)Cc2ccccc21 ZINC000844255852 1031038583 /nfs/dbraw/zinc/03/85/83/1031038583.db2.gz MJRZKIGZRPDSRW-OAHLLOKOSA-N 1 1 319.408 3.506 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844372575 1031071859 /nfs/dbraw/zinc/07/18/59/1031071859.db2.gz AEBHYOIOSZEGHW-GOSISDBHSA-N 1 1 320.864 3.953 20 30 DHEDMO N#CCCCCCC(=O)OC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000870732795 1031073205 /nfs/dbraw/zinc/07/32/05/1031073205.db2.gz JGNGSJWXFZSBNB-QGZVFWFLSA-N 1 1 306.450 3.801 20 30 DHEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@]1(C)Cc1cccc(Cl)c1 ZINC000844381683 1031111133 /nfs/dbraw/zinc/11/11/33/1031111133.db2.gz QTAKDAFCFVCQCD-RHSMWYFYSA-N 1 1 306.837 3.666 20 30 DHEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000359841769 1031158357 /nfs/dbraw/zinc/15/83/57/1031158357.db2.gz PBZLAYCJQIYVML-LPHOPBHVSA-N 1 1 312.457 3.534 20 30 DHEDMO C=CC[N@H+](CC[C@H]1CCCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000347398163 1031220556 /nfs/dbraw/zinc/22/05/56/1031220556.db2.gz HEXBCALWRAYQEN-QGZVFWFLSA-N 1 1 304.390 3.542 20 30 DHEDMO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2cncc(C#N)c2)c1 ZINC001144079113 1031231419 /nfs/dbraw/zinc/23/14/19/1031231419.db2.gz BIUDXAAUJVOSIK-IBGZPJMESA-N 1 1 307.397 3.689 20 30 DHEDMO COc1cccc([C@@H]2CCCC[N@H+]2Cc2cncc(C#N)c2)c1 ZINC001144079113 1031231435 /nfs/dbraw/zinc/23/14/35/1031231435.db2.gz BIUDXAAUJVOSIK-IBGZPJMESA-N 1 1 307.397 3.689 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000360139414 1031289353 /nfs/dbraw/zinc/28/93/53/1031289353.db2.gz KYOCPKBZXTWBSB-QGZVFWFLSA-N 1 1 304.821 3.603 20 30 DHEDMO N#Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000360166003 1031305034 /nfs/dbraw/zinc/30/50/34/1031305034.db2.gz ZYVMNXAPDBRCFF-IBGZPJMESA-N 1 1 319.408 3.551 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CCc4c3cccc4F)C2)nc1 ZINC001144169853 1031311348 /nfs/dbraw/zinc/31/13/48/1031311348.db2.gz ZWFHENOSXNKBLA-FQEVSTJZSA-N 1 1 321.399 3.572 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]2CCCC[C@@H]12 ZINC000360201417 1031320811 /nfs/dbraw/zinc/32/08/11/1031320811.db2.gz ZVUFMBJWVLHHKM-COXVUDFISA-N 1 1 322.412 3.619 20 30 DHEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CCCSCC#N)c1 ZINC000360465954 1031438848 /nfs/dbraw/zinc/43/88/48/1031438848.db2.gz HVODJXKMAJSZNU-YOEHRIQHSA-N 1 1 304.459 3.725 20 30 DHEDMO C[N@H+](Cc1ccn(-c2ccccc2)n1)CC1CCC(C#N)CC1 ZINC000929295225 1031486789 /nfs/dbraw/zinc/48/67/89/1031486789.db2.gz HDCZYUKSSPETMK-UHFFFAOYSA-N 1 1 308.429 3.634 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)C(C)(C)C ZINC001144356773 1031496505 /nfs/dbraw/zinc/49/65/05/1031496505.db2.gz LQEJIWCMGGERPJ-UHFFFAOYSA-N 1 1 302.340 3.809 20 30 DHEDMO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)n[nH]1 ZINC000360658485 1031510009 /nfs/dbraw/zinc/51/00/09/1031510009.db2.gz TUHNRCUGCXWZBD-ORAYPTAESA-N 1 1 308.429 3.578 20 30 DHEDMO COCC[N@@H+](CCc1ccccc1)CC1CCC(C#N)CC1 ZINC000929393466 1031511676 /nfs/dbraw/zinc/51/16/76/1031511676.db2.gz XPVOTWGXAIIXOB-UHFFFAOYSA-N 1 1 300.446 3.507 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2c(C)[nH]c3ccccc32)no1 ZINC000872176124 1031550238 /nfs/dbraw/zinc/55/02/38/1031550238.db2.gz VUDRTPOPSDZKPW-ZDUSSCGKSA-N 1 1 316.792 3.593 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@@H](C)c2c(F)cccc2F)no1 ZINC000872174948 1031550836 /nfs/dbraw/zinc/55/08/36/1031550836.db2.gz IDEVGJFCRCJQBJ-KWQFWETISA-N 1 1 313.735 3.642 20 30 DHEDMO N#Cc1ccc(CNC[C@@H]2CCC[N@H+]2CC2CCCCC2)s1 ZINC000537291021 1031556044 /nfs/dbraw/zinc/55/60/44/1031556044.db2.gz VFDBRESUAAISBT-INIZCTEOSA-N 1 1 317.502 3.754 20 30 DHEDMO N#Cc1ccc(C[NH2+]C[C@@H]2CCCN2CC2CCCCC2)s1 ZINC000537291021 1031556050 /nfs/dbraw/zinc/55/60/50/1031556050.db2.gz VFDBRESUAAISBT-INIZCTEOSA-N 1 1 317.502 3.754 20 30 DHEDMO CCCN1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360820732 1031576308 /nfs/dbraw/zinc/57/63/08/1031576308.db2.gz KIWLIYSAPKBOMP-FQEVSTJZSA-N 1 1 311.473 3.790 20 30 DHEDMO CCC[NH+]1CCC(N[C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360820732 1031576320 /nfs/dbraw/zinc/57/63/20/1031576320.db2.gz KIWLIYSAPKBOMP-FQEVSTJZSA-N 1 1 311.473 3.790 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000360828761 1031578485 /nfs/dbraw/zinc/57/84/85/1031578485.db2.gz AHSDZUYCNOEMOR-BJLQDIEVSA-N 1 1 309.457 3.542 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360828761 1031578490 /nfs/dbraw/zinc/57/84/90/1031578490.db2.gz AHSDZUYCNOEMOR-BJLQDIEVSA-N 1 1 309.457 3.542 20 30 DHEDMO Cc1cc(C)nc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000929757354 1031598951 /nfs/dbraw/zinc/59/89/51/1031598951.db2.gz PXQWIZYPDFDORY-VQTJNVASSA-N 1 1 305.425 3.970 20 30 DHEDMO Cc1cc(C)nc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000929757354 1031598959 /nfs/dbraw/zinc/59/89/59/1031598959.db2.gz PXQWIZYPDFDORY-VQTJNVASSA-N 1 1 305.425 3.970 20 30 DHEDMO Cc1cc(C)nc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000929757353 1031599443 /nfs/dbraw/zinc/59/94/43/1031599443.db2.gz PXQWIZYPDFDORY-UXHICEINSA-N 1 1 305.425 3.970 20 30 DHEDMO Cc1cc(C)nc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000929757353 1031599452 /nfs/dbraw/zinc/59/94/52/1031599452.db2.gz PXQWIZYPDFDORY-UXHICEINSA-N 1 1 305.425 3.970 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCSc1ccncc1 ZINC000929756959 1031599521 /nfs/dbraw/zinc/59/95/21/1031599521.db2.gz LXCRMQIJSHBPRZ-RTBURBONSA-N 1 1 323.465 3.945 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCSc1ccncc1 ZINC000929756959 1031599524 /nfs/dbraw/zinc/59/95/24/1031599524.db2.gz LXCRMQIJSHBPRZ-RTBURBONSA-N 1 1 323.465 3.945 20 30 DHEDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000929835362 1031620568 /nfs/dbraw/zinc/62/05/68/1031620568.db2.gz QIUIVKUKUWENQD-QGZVFWFLSA-N 1 1 314.820 3.591 20 30 DHEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000929835362 1031620579 /nfs/dbraw/zinc/62/05/79/1031620579.db2.gz QIUIVKUKUWENQD-QGZVFWFLSA-N 1 1 314.820 3.591 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)CC1 ZINC000929929259 1031650698 /nfs/dbraw/zinc/65/06/98/1031650698.db2.gz GYOAUWVPWONJSH-ZYKFHVCXSA-N 1 1 312.457 3.904 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@@H+](Cc3cccc4cc[nH]c43)CCO2)cc1 ZINC000897591232 1031664636 /nfs/dbraw/zinc/66/46/36/1031664636.db2.gz IUGOZUIKTGQYEH-LJQANCHMSA-N 1 1 317.392 3.613 20 30 DHEDMO Cc1cc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)ccc1C#N ZINC000361008726 1031671774 /nfs/dbraw/zinc/67/17/74/1031671774.db2.gz HBBTVWCPONHNHI-UHFFFAOYSA-N 1 1 304.393 3.620 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)CCO2)cc1 ZINC000897596468 1031678841 /nfs/dbraw/zinc/67/88/41/1031678841.db2.gz QPMWMSVGCBWQPA-PCCBWWKXSA-N 1 1 318.420 3.735 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C(C)C)[C@H]2CCOC2)ccc1OC ZINC000361061101 1031702990 /nfs/dbraw/zinc/70/29/90/1031702990.db2.gz OSSOUSWHZMXWJV-KRWDZBQOSA-N 1 1 319.445 3.649 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCSC[C@H]2c2ccc(OC)cc2)cc1 ZINC001144573186 1031721101 /nfs/dbraw/zinc/72/11/01/1031721101.db2.gz DHDSULBICAYHPC-FQEVSTJZSA-N 1 1 323.461 3.967 20 30 DHEDMO C#Cc1ccc(C[N@@H+](C)Cc2ncccc2C(F)(F)F)cc1 ZINC001144567906 1031721541 /nfs/dbraw/zinc/72/15/41/1031721541.db2.gz DTJLKGPHOIABNC-UHFFFAOYSA-N 1 1 304.315 3.714 20 30 DHEDMO C#Cc1ccc(C[N@H+](C)Cc2ncccc2C(F)(F)F)cc1 ZINC001144567906 1031721554 /nfs/dbraw/zinc/72/15/54/1031721554.db2.gz DTJLKGPHOIABNC-UHFFFAOYSA-N 1 1 304.315 3.714 20 30 DHEDMO C[C@H](CCO)[N@H+](Cc1ccccc1)CC1CCC(C#N)CC1 ZINC000930177544 1031723774 /nfs/dbraw/zinc/72/37/74/1031723774.db2.gz NVEPEZQRYOBWIK-LRYGQEGESA-N 1 1 300.446 3.589 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](Oc3cccc(OC)c3)C2)cc1 ZINC001144574009 1031725839 /nfs/dbraw/zinc/72/58/39/1031725839.db2.gz XZCOBEAOSIKOLL-NRFANRHFSA-N 1 1 321.420 3.720 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](Cc3cccc4c3CCC4)CCO2)c1 ZINC000845912253 1031756837 /nfs/dbraw/zinc/75/68/37/1031756837.db2.gz GVZKLTCWMLKLJT-NRFANRHFSA-N 1 1 318.420 3.620 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cccc4c3CCC4)CCO2)c1 ZINC000845912253 1031756849 /nfs/dbraw/zinc/75/68/49/1031756849.db2.gz GVZKLTCWMLKLJT-NRFANRHFSA-N 1 1 318.420 3.620 20 30 DHEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(Cc2ccc(C#N)o2)CC1 ZINC000361153709 1031758006 /nfs/dbraw/zinc/75/80/06/1031758006.db2.gz LEHHVFSCUSNESY-SFHVURJKSA-N 1 1 323.440 3.638 20 30 DHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000026470129 1031767549 /nfs/dbraw/zinc/76/75/49/1031767549.db2.gz DWUWWTURGVNOJM-IUODEOHRSA-N 1 1 319.836 3.661 20 30 DHEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cc1cncc(C#N)c1 ZINC000930448424 1031823280 /nfs/dbraw/zinc/82/32/80/1031823280.db2.gz DCJIMFBYLQKMMR-BEFAXECRSA-N 1 1 321.424 3.935 20 30 DHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC(C)(C)C[C@@H]1C ZINC001171207845 1031825305 /nfs/dbraw/zinc/82/53/05/1031825305.db2.gz FSQOOJNUYSVRNJ-NWDGAFQWSA-N 1 1 319.836 3.659 20 30 DHEDMO N#CC1CCC(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)CC1 ZINC000930459039 1031827394 /nfs/dbraw/zinc/82/73/94/1031827394.db2.gz RVGPEGRWRMZWRI-WLDPKCOESA-N 1 1 324.468 3.821 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000930473764 1031833032 /nfs/dbraw/zinc/83/30/32/1031833032.db2.gz BYWHNZTXRBRCPB-LBPRGKRZSA-N 1 1 301.340 3.699 20 30 DHEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NC(=N)c2nccs2)cc1 ZINC001168284512 1031848928 /nfs/dbraw/zinc/84/89/28/1031848928.db2.gz XXAYFAOUEXQXDG-OAHLLOKOSA-N 1 1 312.442 3.503 20 30 DHEDMO C=CC(C)(C)CC(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC001144717806 1031871152 /nfs/dbraw/zinc/87/11/52/1031871152.db2.gz JLGBLLUWWVZYFN-UHFFFAOYSA-N 1 1 302.462 3.745 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000361404191 1031907623 /nfs/dbraw/zinc/90/76/23/1031907623.db2.gz LHNYIKNIVSOOTC-MSOLQXFVSA-N 1 1 300.446 3.904 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC000361480477 1031945697 /nfs/dbraw/zinc/94/56/97/1031945697.db2.gz DBAFHRNTKKKOSO-OAHLLOKOSA-N 1 1 320.502 3.773 20 30 DHEDMO C=CCCCCCCCCC(=O)N1CCc2[nH]c(C)[nH+]c2CC1 ZINC001144795797 1031969594 /nfs/dbraw/zinc/96/95/94/1031969594.db2.gz PVQLLJCMKKSNFS-UHFFFAOYSA-N 1 1 317.477 3.952 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2cncc(-c3cc(F)ccc3OC)c2)C1 ZINC000930885110 1031974464 /nfs/dbraw/zinc/97/44/64/1031974464.db2.gz JTXZXTACHYFMPR-OAHLLOKOSA-N 1 1 324.399 3.742 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)CCC(=O)c1cccs1 ZINC001171229503 1031994364 /nfs/dbraw/zinc/99/43/64/1031994364.db2.gz OCETXYSUGNHGSY-CQSZACIVSA-N 1 1 312.438 3.756 20 30 DHEDMO N#Cc1cccc(-c2nnc(C[N@@H+](CC3CC3)CC3CCC3)o2)c1 ZINC000361572514 1031995546 /nfs/dbraw/zinc/99/55/46/1031995546.db2.gz UCIHMBHLNIQYTM-UHFFFAOYSA-N 1 1 322.412 3.620 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001171230725 1031995983 /nfs/dbraw/zinc/99/59/83/1031995983.db2.gz GFNYBHPWWBTUHF-LLGFUMIMSA-N 1 1 320.436 3.951 20 30 DHEDMO Cn1cc(C[N@H+]2CC=C(c3ccccc3Cl)CC2)cc1C#N ZINC000361582897 1031997642 /nfs/dbraw/zinc/99/76/42/1031997642.db2.gz JZCNTDKXWYQBJJ-UHFFFAOYSA-N 1 1 311.816 3.839 20 30 DHEDMO Cn1cc(C[N@@H+]2CC=C(c3ccccc3Cl)CC2)cc1C#N ZINC000361582897 1031997651 /nfs/dbraw/zinc/99/76/51/1031997651.db2.gz JZCNTDKXWYQBJJ-UHFFFAOYSA-N 1 1 311.816 3.839 20 30 DHEDMO C=CCCC[N@H+](CC)Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000898244794 1031998630 /nfs/dbraw/zinc/99/86/30/1031998630.db2.gz QGSWMWBLCJQILJ-UHFFFAOYSA-N 1 1 320.437 3.612 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001171231668 1032000875 /nfs/dbraw/zinc/00/08/75/1032000875.db2.gz KQDXQCSVIUWSPX-OXJNMPFZSA-N 1 1 312.457 3.770 20 30 DHEDMO N#Cc1ccccc1NC1CC[NH+](Cc2cnc(C3CC3)o2)CC1 ZINC000931031395 1032012779 /nfs/dbraw/zinc/01/27/79/1032012779.db2.gz BDRCSHPXXGOWML-UHFFFAOYSA-N 1 1 322.412 3.500 20 30 DHEDMO C[C@]1(Cc2cccc3ccccc32)CCC[N@H+]1C[C@H](O)CC#N ZINC000931067601 1032023398 /nfs/dbraw/zinc/02/33/98/1032023398.db2.gz QLWCBSNLUJORNJ-UYAOXDASSA-N 1 1 308.425 3.511 20 30 DHEDMO C[C@@]1(Cc2cccc3ccccc32)CCC[N@H+]1C[C@H](O)CC#N ZINC000931067598 1032024009 /nfs/dbraw/zinc/02/40/09/1032024009.db2.gz QLWCBSNLUJORNJ-QUCCMNQESA-N 1 1 308.425 3.511 20 30 DHEDMO COc1ccc(C[N@@H+](CCCC#N)CC2CCC2)c(OC)c1 ZINC000338332964 1033323929 /nfs/dbraw/zinc/32/39/29/1033323929.db2.gz NJECOURBIRCRCV-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338372299 1033333887 /nfs/dbraw/zinc/33/38/87/1033333887.db2.gz UOPCNDPFACFAIS-INIZCTEOSA-N 1 1 316.445 3.572 20 30 DHEDMO C=CC[N@H+](C1C[C@@H]2C=C[C@H](C1)N2C(=O)OC(C)(C)C)C(C)(C)C ZINC001172815964 1033378120 /nfs/dbraw/zinc/37/81/20/1033378120.db2.gz XZMVBQYHCWQZIK-XYPWUTKMSA-N 1 1 320.477 3.979 20 30 DHEDMO CC(C)(C)OC(=O)Nc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000877637675 1033392346 /nfs/dbraw/zinc/39/23/46/1033392346.db2.gz YYQYBDAQTVWOBV-SFHVURJKSA-N 1 1 315.417 3.769 20 30 DHEDMO CC(C)(C)OC(=O)Nc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000877637675 1033392354 /nfs/dbraw/zinc/39/23/54/1033392354.db2.gz YYQYBDAQTVWOBV-SFHVURJKSA-N 1 1 315.417 3.769 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H](c2ccccn2)C2CCC2)c1 ZINC000877653027 1033397947 /nfs/dbraw/zinc/39/79/47/1033397947.db2.gz VAQMAJJKOJZYKA-MRXNPFEDSA-N 1 1 312.804 3.633 20 30 DHEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)[nH]n1 ZINC000877783984 1033447586 /nfs/dbraw/zinc/44/75/86/1033447586.db2.gz MEFBLAZWNMHHGP-QGZVFWFLSA-N 1 1 308.429 3.784 20 30 DHEDMO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)n[nH]1 ZINC000877783984 1033447595 /nfs/dbraw/zinc/44/75/95/1033447595.db2.gz MEFBLAZWNMHHGP-QGZVFWFLSA-N 1 1 308.429 3.784 20 30 DHEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)n[nH]1 ZINC000877783984 1033447603 /nfs/dbraw/zinc/44/76/03/1033447603.db2.gz MEFBLAZWNMHHGP-QGZVFWFLSA-N 1 1 308.429 3.784 20 30 DHEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)[nH]n1 ZINC000877783623 1033449388 /nfs/dbraw/zinc/44/93/88/1033449388.db2.gz BPIYGIJJQXJWMK-QGZVFWFLSA-N 1 1 308.429 3.784 20 30 DHEDMO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)n[nH]1 ZINC000877783623 1033449397 /nfs/dbraw/zinc/44/93/97/1033449397.db2.gz BPIYGIJJQXJWMK-QGZVFWFLSA-N 1 1 308.429 3.784 20 30 DHEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)n[nH]1 ZINC000877783623 1033449406 /nfs/dbraw/zinc/44/94/06/1033449406.db2.gz BPIYGIJJQXJWMK-QGZVFWFLSA-N 1 1 308.429 3.784 20 30 DHEDMO COCC[N@@H+](CCCCC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000151478908 1033457009 /nfs/dbraw/zinc/45/70/09/1033457009.db2.gz PRTTXUQRPUCYOC-UHFFFAOYSA-N 1 1 314.351 3.739 20 30 DHEDMO N#CCC[N@H+](Cc1cccnc1)C1CCC2(CCOCC2)CC1 ZINC001173043911 1033510541 /nfs/dbraw/zinc/51/05/41/1033510541.db2.gz WNDPRNLTXNYRCI-UHFFFAOYSA-N 1 1 313.445 3.537 20 30 DHEDMO N#CCC[N@@H+](Cc1cccnc1)C1CCC2(CCOCC2)CC1 ZINC001173043911 1033510546 /nfs/dbraw/zinc/51/05/46/1033510546.db2.gz WNDPRNLTXNYRCI-UHFFFAOYSA-N 1 1 313.445 3.537 20 30 DHEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CCc2ncsc2C1 ZINC001173137780 1033556917 /nfs/dbraw/zinc/55/69/17/1033556917.db2.gz MWSZHNLEFPDKKL-MAUKXSAKSA-N 1 1 308.450 3.623 20 30 DHEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC001252558772 1033602009 /nfs/dbraw/zinc/60/20/09/1033602009.db2.gz IVWVUAOBQVBUSU-GJZGRUSLSA-N 1 1 310.235 3.523 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](CC[C@H]3CCCC3(F)F)CCO2)c1 ZINC000878322487 1033658541 /nfs/dbraw/zinc/65/85/41/1033658541.db2.gz JRJPHABMMVQZLS-SJORKVTESA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](CC[C@H]3CCCC3(F)F)CCO2)c1 ZINC000878322487 1033658554 /nfs/dbraw/zinc/65/85/54/1033658554.db2.gz JRJPHABMMVQZLS-SJORKVTESA-N 1 1 320.383 3.757 20 30 DHEDMO CCSC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001173308750 1033663437 /nfs/dbraw/zinc/66/34/37/1033663437.db2.gz ORSQJBPAQMYAKT-RHSMWYFYSA-N 1 1 304.459 3.543 20 30 DHEDMO C=CCOC1CCC([N@@H+](C)Cc2cn3ccc(C)cc3n2)CC1 ZINC001173326352 1033685508 /nfs/dbraw/zinc/68/55/08/1033685508.db2.gz ZJOHGCDJDOVSCW-UHFFFAOYSA-N 1 1 313.445 3.588 20 30 DHEDMO COc1ccc(CC[N@@H+](C)C2CCC(CC#N)CC2)cc1OC ZINC001173330822 1033687771 /nfs/dbraw/zinc/68/77/71/1033687771.db2.gz FLEHTNNAZALSSS-UHFFFAOYSA-N 1 1 316.445 3.651 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@H]2COCc2ccccc2)CC1 ZINC001173327937 1033688999 /nfs/dbraw/zinc/68/89/99/1033688999.db2.gz WFNMSMTVSCVYGM-GPJFCIFZSA-N 1 1 315.457 3.791 20 30 DHEDMO COc1ccc(C[N@@H+](C)C2CCC(CC#N)CC2)c(OC)c1 ZINC001173337200 1033691990 /nfs/dbraw/zinc/69/19/90/1033691990.db2.gz AWWCMYBRPPGEHA-UHFFFAOYSA-N 1 1 302.418 3.608 20 30 DHEDMO Cc1ccnc(O[C@H]2CCC[N@H+](C3CCC(CC#N)CC3)C2)c1 ZINC001173339354 1033694474 /nfs/dbraw/zinc/69/44/74/1033694474.db2.gz FYQBIZIPIQFPCT-ABHNRTSZSA-N 1 1 313.445 3.706 20 30 DHEDMO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCCC2(CCCCC2)C1)C(=O)OCC ZINC001173342178 1033697067 /nfs/dbraw/zinc/69/70/67/1033697067.db2.gz WHEUHMDOZZCBMH-JTDSTZFVSA-N 1 1 305.462 3.977 20 30 DHEDMO N#CCC1CCC([N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC001173341169 1033697561 /nfs/dbraw/zinc/69/75/61/1033697561.db2.gz QKRIMWLMJOSWHE-BCKAPOECSA-N 1 1 323.484 3.665 20 30 DHEDMO C=CCOC1CCC([N@@H+](CCN(C)C)Cc2ccccc2)CC1 ZINC001173319721 1033712370 /nfs/dbraw/zinc/71/23/70/1033712370.db2.gz SQMSMJNCIZDFID-UHFFFAOYSA-N 1 1 316.489 3.564 20 30 DHEDMO C=C(C)CN(C)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000479320736 1033717485 /nfs/dbraw/zinc/71/74/85/1033717485.db2.gz VVCSXZDYAHUIKF-UHFFFAOYSA-N 1 1 322.452 3.723 20 30 DHEDMO COC(=O)CCCC[C@@H](C)[N@@H+](CCC#N)Cc1ccccc1 ZINC001173447909 1033746274 /nfs/dbraw/zinc/74/62/74/1033746274.db2.gz GQUNYZVLZXESKI-MRXNPFEDSA-N 1 1 302.418 3.524 20 30 DHEDMO C=C(C)C[N@@H+](CC[C@@H]1CCCC1(F)F)Cc1ccc(CO)o1 ZINC000878606948 1033766771 /nfs/dbraw/zinc/76/67/71/1033766771.db2.gz QUJLNIYXGANYHU-AWEZNQCLSA-N 1 1 313.388 3.976 20 30 DHEDMO C[C@H]1CN(C2CCC(C)(C#N)CC2)CC[N@H+]1C1CCCCC1 ZINC001173597448 1033784336 /nfs/dbraw/zinc/78/43/36/1033784336.db2.gz UGBKFBSTDAZBMW-MUYFXNHWSA-N 1 1 303.494 3.798 20 30 DHEDMO C[C@H]1C[N@@H+](C2CCC(C)(C#N)CC2)CCN1C1CCCCC1 ZINC001173597448 1033784352 /nfs/dbraw/zinc/78/43/52/1033784352.db2.gz UGBKFBSTDAZBMW-MUYFXNHWSA-N 1 1 303.494 3.798 20 30 DHEDMO C[C@H]1C[N@H+](C2CCC(C)(C#N)CC2)CCN1C1CCCCC1 ZINC001173597448 1033784368 /nfs/dbraw/zinc/78/43/68/1033784368.db2.gz UGBKFBSTDAZBMW-MUYFXNHWSA-N 1 1 303.494 3.798 20 30 DHEDMO CC(C)c1noc([C@@H]2CCC[N@H+](C3CCC(C)(C#N)CC3)C2)n1 ZINC001173597990 1033784854 /nfs/dbraw/zinc/78/48/54/1033784854.db2.gz LNDRHKBPLUFFCL-KSTDHSDQSA-N 1 1 316.449 3.845 20 30 DHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000862280144 1033810563 /nfs/dbraw/zinc/81/05/63/1033810563.db2.gz GNLBBAKJUYKDMF-HNNXBMFYSA-N 1 1 311.385 3.523 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3OC)n2)C1 ZINC000878760041 1033821509 /nfs/dbraw/zinc/82/15/09/1033821509.db2.gz FFODFCDQYWGPEP-OAHLLOKOSA-N 1 1 310.397 3.586 20 30 DHEDMO C#CCCCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000878814550 1033835635 /nfs/dbraw/zinc/83/56/35/1033835635.db2.gz OBOJWLQJLUTWOQ-JKSUJKDBSA-N 1 1 308.466 3.558 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2c(C)nn(Cc3ccc(C)cc3)c2C)C1 ZINC000862443699 1033857186 /nfs/dbraw/zinc/85/71/86/1033857186.db2.gz SCFPVTIURYVTPB-IBGZPJMESA-N 1 1 321.468 3.702 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000862447357 1033857831 /nfs/dbraw/zinc/85/78/31/1033857831.db2.gz MEJVHVSPRNJRNH-GFCCVEGCSA-N 1 1 315.310 3.612 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H](C2CCC2)C1)c1ccccc1 ZINC000878994554 1033889136 /nfs/dbraw/zinc/88/91/36/1033889136.db2.gz UESPPIBOIRFEOZ-FPOVZHCZSA-N 1 1 324.468 3.939 20 30 DHEDMO CC1CCC([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000173476958 1033919829 /nfs/dbraw/zinc/91/98/29/1033919829.db2.gz HGVWPKFVANMLJH-UHFFFAOYSA-N 1 1 310.401 3.619 20 30 DHEDMO N#CCCOCC[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000339048754 1033968997 /nfs/dbraw/zinc/96/89/97/1033968997.db2.gz POYPSHWTZOAAAA-UHFFFAOYSA-N 1 1 324.346 3.725 20 30 DHEDMO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@@H]3CCC[C@H]3C#N)c2cc1C ZINC000879311189 1033979037 /nfs/dbraw/zinc/97/90/37/1033979037.db2.gz NZZOLGZQRYLCMR-WMLDXEAASA-N 1 1 310.397 3.534 20 30 DHEDMO Cc1cc2oc(=O)cc(C[N@H+](C)[C@@H]3CCC[C@H]3C#N)c2cc1C ZINC000879311189 1033979045 /nfs/dbraw/zinc/97/90/45/1033979045.db2.gz NZZOLGZQRYLCMR-WMLDXEAASA-N 1 1 310.397 3.534 20 30 DHEDMO FC(F)(F)c1cc(N=NC2CCC[N@H+]3CCCC[C@@H]23)ccn1 ZINC000863178750 1034014214 /nfs/dbraw/zinc/01/42/14/1034014214.db2.gz DICSYOCPPBSBJI-ZDUSSCGKSA-N 1 1 312.339 3.517 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccn(C2CCCC2)n1 ZINC000879434594 1034018460 /nfs/dbraw/zinc/01/84/60/1034018460.db2.gz VAMYGHGHEFLHOF-UHFFFAOYSA-N 1 1 308.429 3.544 20 30 DHEDMO C=CC(C)(C)[NH2+]Cc1csc(COc2ccc(OC)cc2)n1 ZINC000898458228 1034028712 /nfs/dbraw/zinc/02/87/12/1034028712.db2.gz ZPWNDAHXVAYZJK-UHFFFAOYSA-N 1 1 318.442 3.785 20 30 DHEDMO C[N@@H+](CCCSCC#N)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000554304635 1034085400 /nfs/dbraw/zinc/08/54/00/1034085400.db2.gz ZSXAASQYEFZGIJ-SJORKVTESA-N 1 1 318.486 3.811 20 30 DHEDMO N#CC1(CC[N@@H+]2Cc3cccnc3N3CCC[C@H]3C2)CCCCC1 ZINC000879692633 1034088721 /nfs/dbraw/zinc/08/87/21/1034088721.db2.gz YXEYIGUHBATFGJ-SFHVURJKSA-N 1 1 324.472 3.730 20 30 DHEDMO N#Cc1ccc(C(F)(F)F)nc1Nc1cc[nH+]c2ccccc12 ZINC001174039138 1034094111 /nfs/dbraw/zinc/09/41/11/1034094111.db2.gz OADMOOPZDUDANJ-UHFFFAOYSA-N 1 1 314.270 3.686 20 30 DHEDMO Cc1csc([C@@H]2CC[N@@H+](Cc3cn4ccccc4c3C#N)C2)n1 ZINC000880007461 1034180836 /nfs/dbraw/zinc/18/08/36/1034180836.db2.gz DYHIXZMJXHLXQB-CQSZACIVSA-N 1 1 322.437 3.565 20 30 DHEDMO Cc1csc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000880009038 1034181418 /nfs/dbraw/zinc/18/14/18/1034181418.db2.gz JALPQQWUEFSKEM-ZDUSSCGKSA-N 1 1 317.845 3.966 20 30 DHEDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)n1 ZINC000880009038 1034181432 /nfs/dbraw/zinc/18/14/32/1034181432.db2.gz JALPQQWUEFSKEM-ZDUSSCGKSA-N 1 1 317.845 3.966 20 30 DHEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@@H](C(F)(F)F)O1 ZINC000880064308 1034197835 /nfs/dbraw/zinc/19/78/35/1034197835.db2.gz MDVXUAAJLUHPLJ-KBPBESRZSA-N 1 1 318.383 3.892 20 30 DHEDMO COc1ccccc1[C@H]1CSCCC[N@H+]1CCCCC#N ZINC000880172782 1034230153 /nfs/dbraw/zinc/23/01/53/1034230153.db2.gz BUFCSJCIJYKTPJ-MRXNPFEDSA-N 1 1 304.459 3.869 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CF)C1 ZINC000880235968 1034258323 /nfs/dbraw/zinc/25/83/23/1034258323.db2.gz UHGDHJAUOYWTNI-CQSZACIVSA-N 1 1 322.449 3.585 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CF)C1 ZINC000880235968 1034258327 /nfs/dbraw/zinc/25/83/27/1034258327.db2.gz UHGDHJAUOYWTNI-CQSZACIVSA-N 1 1 322.449 3.585 20 30 DHEDMO COc1cccc([C@H]2CC[N@@H+](Cc3ccncc3C#N)C2(C)C)c1 ZINC000880285378 1034278900 /nfs/dbraw/zinc/27/89/00/1034278900.db2.gz KCSQJDSMVNHSDU-LJQANCHMSA-N 1 1 321.424 3.730 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2Cc3ccccc3N3CCC[C@@H]3C2)cc1 ZINC000880552528 1034357877 /nfs/dbraw/zinc/35/78/77/1034357877.db2.gz XVVBXWLIWMHWMK-HXUWFJFHSA-N 1 1 317.436 3.737 20 30 DHEDMO C[C@H](CN1CCCCCC1)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000480695356 1034407840 /nfs/dbraw/zinc/40/78/40/1034407840.db2.gz JGVRGAMUKRVELO-CABCVRRESA-N 1 1 303.425 3.612 20 30 DHEDMO C=C1CC[NH+](Cc2ccc(OCc3ccccc3F)nc2)CC1 ZINC000480780685 1034442852 /nfs/dbraw/zinc/44/28/52/1034442852.db2.gz PLOOBWTWAKZNIQ-UHFFFAOYSA-N 1 1 312.388 3.952 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC001174889900 1034643274 /nfs/dbraw/zinc/64/32/74/1034643274.db2.gz AWMLPVFWPGIQTQ-MELADBBJSA-N 1 1 303.368 3.822 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000481228624 1034673581 /nfs/dbraw/zinc/67/35/81/1034673581.db2.gz NLIYQGSFHSJQLR-LJQANCHMSA-N 1 1 308.425 3.552 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000481228624 1034673590 /nfs/dbraw/zinc/67/35/90/1034673590.db2.gz NLIYQGSFHSJQLR-LJQANCHMSA-N 1 1 308.425 3.552 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000481286925 1034717390 /nfs/dbraw/zinc/71/73/90/1034717390.db2.gz PXSRALDHNVMBSU-LJQANCHMSA-N 1 1 324.424 3.883 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000481286925 1034717410 /nfs/dbraw/zinc/71/74/10/1034717410.db2.gz PXSRALDHNVMBSU-LJQANCHMSA-N 1 1 324.424 3.883 20 30 DHEDMO C=C[C@](C)(CC)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000188285405 1034741336 /nfs/dbraw/zinc/74/13/36/1034741336.db2.gz IBAVIBNDMYPDRG-HNAYVOBHSA-N 1 1 316.445 3.621 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000188494444 1034745711 /nfs/dbraw/zinc/74/57/11/1034745711.db2.gz OSBHQJFDDHTHQD-POAQFYNOSA-N 1 1 314.473 3.758 20 30 DHEDMO CC(=NOCCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000777455241 1034751468 /nfs/dbraw/zinc/75/14/68/1034751468.db2.gz BCZQZSCPPLKBHR-OAHLLOKOSA-N 1 1 314.351 3.853 20 30 DHEDMO C=CCC[C@@H]([NH2+]Cc1nccc(OC)c1OC)c1ccccc1 ZINC000191057958 1034756593 /nfs/dbraw/zinc/75/65/93/1034756593.db2.gz NWFSLRSTLMAVCV-MRXNPFEDSA-N 1 1 312.413 3.896 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000600186810 1034796786 /nfs/dbraw/zinc/79/67/86/1034796786.db2.gz URJLMWNTDUYRCH-MRXNPFEDSA-N 1 1 314.429 3.776 20 30 DHEDMO CCC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC001175333351 1034939625 /nfs/dbraw/zinc/93/96/25/1034939625.db2.gz XAUWQXPTJFZHGL-HXUWFJFHSA-N 1 1 324.424 3.512 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)[C@@H]2C)cc1C#N ZINC000481753094 1034965160 /nfs/dbraw/zinc/96/51/60/1034965160.db2.gz FDCUJMAIMUKALF-FZMZJTMJSA-N 1 1 312.335 3.730 20 30 DHEDMO Cc1c2c[nH]nc2ccc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001175467911 1034992411 /nfs/dbraw/zinc/99/24/11/1034992411.db2.gz JFBLVWKOMZFSCC-UHFFFAOYSA-N 1 1 323.425 3.536 20 30 DHEDMO N#CCc1cccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001175506786 1035018864 /nfs/dbraw/zinc/01/88/64/1035018864.db2.gz MYCXCNCPPDKNRW-UHFFFAOYSA-N 1 1 303.409 3.954 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccncc2C#N)CCc2ccc(Cl)cc21 ZINC000593063580 1035085057 /nfs/dbraw/zinc/08/50/57/1035085057.db2.gz SPILCBWEOQNALG-CYBMUJFWSA-N 1 1 311.816 3.768 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)CCc2ccc(Cl)cc21 ZINC000593063580 1035085063 /nfs/dbraw/zinc/08/50/63/1035085063.db2.gz SPILCBWEOQNALG-CYBMUJFWSA-N 1 1 311.816 3.768 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCOC[C@]2(C)CC)ccc1OC ZINC000482531264 1035127884 /nfs/dbraw/zinc/12/78/84/1035127884.db2.gz LRKDIFQOCROHDJ-IBGZPJMESA-N 1 1 319.445 3.651 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CCOC[C@]2(C)CC)ccc1OC ZINC000482531264 1035127892 /nfs/dbraw/zinc/12/78/92/1035127892.db2.gz LRKDIFQOCROHDJ-IBGZPJMESA-N 1 1 319.445 3.651 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000482862752 1035188870 /nfs/dbraw/zinc/18/88/70/1035188870.db2.gz SWPGCIHDJSLZBJ-ZIAGYGMSSA-N 1 1 304.459 3.634 20 30 DHEDMO N#Cc1ccccc1N1CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000482954554 1035205169 /nfs/dbraw/zinc/20/51/69/1035205169.db2.gz DXKCCVLSQQVGDY-HXUWFJFHSA-N 1 1 321.399 3.507 20 30 DHEDMO N#Cc1c(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cn2ccccc12 ZINC000483106757 1035227031 /nfs/dbraw/zinc/22/70/31/1035227031.db2.gz UTOXKSSEZFWODK-MRXNPFEDSA-N 1 1 319.383 3.940 20 30 DHEDMO C=CCCCCCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483170968 1035237538 /nfs/dbraw/zinc/23/75/38/1035237538.db2.gz HRFRLXPYIOHGQP-QGZVFWFLSA-N 1 1 306.494 3.846 20 30 DHEDMO Fc1cc(F)c(Nc2cc[nH+]cc2C(F)(F)F)c(F)c1F ZINC001176345456 1035245467 /nfs/dbraw/zinc/24/54/67/1035245467.db2.gz APNCBAXUGNHCCU-UHFFFAOYSA-N 1 1 310.172 3.822 20 30 DHEDMO N#Cc1ccc(C[N@@H+](CC2CC2)C2CCC2)c(OC(F)F)c1 ZINC000483302064 1035254903 /nfs/dbraw/zinc/25/49/03/1035254903.db2.gz HXAJBGKOBJKNBB-UHFFFAOYSA-N 1 1 306.356 3.924 20 30 DHEDMO C=CCCn1cc(C[N@@H+]2CC3(CCCCC3)[C@@H]2C(C)C)nn1 ZINC000668236139 1035257125 /nfs/dbraw/zinc/25/71/25/1035257125.db2.gz AYRKEEFVXZTDQO-KRWDZBQOSA-N 1 1 302.466 3.645 20 30 DHEDMO C=CCCn1cc(C[N@H+]2CC3(CCCCC3)[C@@H]2C(C)C)nn1 ZINC000668236139 1035257131 /nfs/dbraw/zinc/25/71/31/1035257131.db2.gz AYRKEEFVXZTDQO-KRWDZBQOSA-N 1 1 302.466 3.645 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000483530041 1035275726 /nfs/dbraw/zinc/27/57/26/1035275726.db2.gz JHBSVBFIININDG-IBGZPJMESA-N 1 1 319.404 3.646 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000483586047 1035282431 /nfs/dbraw/zinc/28/24/31/1035282431.db2.gz UYGVLMNSEGNGJK-GOSISDBHSA-N 1 1 305.377 3.604 20 30 DHEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000483610591 1035283927 /nfs/dbraw/zinc/28/39/27/1035283927.db2.gz CLDBTJQROSLLPO-OAHLLOKOSA-N 1 1 313.828 3.960 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1F ZINC000483687988 1035290946 /nfs/dbraw/zinc/29/09/46/1035290946.db2.gz SCMNTIWNEJSJPN-AWEZNQCLSA-N 1 1 316.326 3.965 20 30 DHEDMO C=CCN(CC1CCCCC1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000483734096 1035295021 /nfs/dbraw/zinc/29/50/21/1035295021.db2.gz QSKOVSVZDCGAOQ-UHFFFAOYSA-N 1 1 321.509 3.639 20 30 DHEDMO N#CCC[N@@H+](Cc1cccc(-c2cncnc2)c1)C1CCCC1 ZINC001137768994 1035299525 /nfs/dbraw/zinc/29/95/25/1035299525.db2.gz KGDHYOXXAQSABP-UHFFFAOYSA-N 1 1 306.413 3.802 20 30 DHEDMO OCCC[N@@H+](CC#Cc1ccccc1)[C@H]1CCCc2ccccc21 ZINC000483959068 1035310680 /nfs/dbraw/zinc/31/06/80/1035310680.db2.gz RAQJDQKYNLVHNA-QFIPXVFZSA-N 1 1 319.448 3.800 20 30 DHEDMO CCC[N@H+](CC#Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000484091344 1035317836 /nfs/dbraw/zinc/31/78/36/1035317836.db2.gz FCIKAENRBVUCQQ-SFHVURJKSA-N 1 1 320.436 3.777 20 30 DHEDMO CCC[N@@H+](CC#Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000484091344 1035317839 /nfs/dbraw/zinc/31/78/39/1035317839.db2.gz FCIKAENRBVUCQQ-SFHVURJKSA-N 1 1 320.436 3.777 20 30 DHEDMO N#Cc1cnn2cc(C[N@H+]3CCC[C@H]3CC3CCCCC3)cnc12 ZINC000568395135 1035318540 /nfs/dbraw/zinc/31/85/40/1035318540.db2.gz SUFSURJEHLLPIU-SFHVURJKSA-N 1 1 323.444 3.536 20 30 DHEDMO C[C@@H]1CCC[C@H](CC[N@H+]2CCc3c(C#N)c(N)sc3C2)C1 ZINC001176777093 1035328122 /nfs/dbraw/zinc/32/81/22/1035328122.db2.gz HSHSWWUEIHYKFK-CHWSQXEVSA-N 1 1 303.475 3.776 20 30 DHEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC001176771654 1035330760 /nfs/dbraw/zinc/33/07/60/1035330760.db2.gz QFWCFUCGYLOSBA-CQSZACIVSA-N 1 1 322.836 3.718 20 30 DHEDMO C#C[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC001176833167 1035332072 /nfs/dbraw/zinc/33/20/72/1035332072.db2.gz SKFLRLJIXATBIV-IBGZPJMESA-N 1 1 306.409 3.648 20 30 DHEDMO C#C[C@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccc2)nc1 ZINC001176833167 1035332074 /nfs/dbraw/zinc/33/20/74/1035332074.db2.gz SKFLRLJIXATBIV-IBGZPJMESA-N 1 1 306.409 3.648 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)CC2)cc1 ZINC001176939574 1035337761 /nfs/dbraw/zinc/33/77/61/1035337761.db2.gz LFWBWYUVQSKKPL-FQEVSTJZSA-N 1 1 306.409 3.716 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](CNCc1cc(C)ccc1F)C(C)C ZINC001177226671 1035358204 /nfs/dbraw/zinc/35/82/04/1035358204.db2.gz VCZSMEFCLQKWOP-LJQANCHMSA-N 1 1 304.453 3.922 20 30 DHEDMO C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000773631016 1035359649 /nfs/dbraw/zinc/35/96/49/1035359649.db2.gz REVCQUDUXKFCEM-UHFFFAOYSA-N 1 1 308.466 3.676 20 30 DHEDMO C=C(CC)C[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000773636727 1035362176 /nfs/dbraw/zinc/36/21/76/1035362176.db2.gz XLJVAVNIJPFYBE-UHFFFAOYSA-N 1 1 308.466 3.676 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1ccc(OC)cc1)CC1CCCCC1 ZINC000484627609 1035381231 /nfs/dbraw/zinc/38/12/31/1035381231.db2.gz FFKWMXDLOIDWGC-UHFFFAOYSA-N 1 1 316.445 3.702 20 30 DHEDMO C=CCCC[C@@H](C(=O)NCc1c[nH+]c2n1CCC2)c1ccccc1 ZINC001177745252 1035390053 /nfs/dbraw/zinc/39/00/53/1035390053.db2.gz MYYFJSXZPWELKE-GOSISDBHSA-N 1 1 323.440 3.586 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc([C@H](OC)c2cccc(Cl)c2)no1 ZINC000904618682 1035432501 /nfs/dbraw/zinc/43/25/01/1035432501.db2.gz WBFOQRYKHJNUML-UONOGXRCSA-N 1 1 321.808 3.815 20 30 DHEDMO C#Cc1cccc(CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001178949048 1035456928 /nfs/dbraw/zinc/45/69/28/1035456928.db2.gz COHHIVZPITYBBB-NRFANRHFSA-N 1 1 318.464 3.811 20 30 DHEDMO C#Cc1cccc(CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001178949048 1035456930 /nfs/dbraw/zinc/45/69/30/1035456930.db2.gz COHHIVZPITYBBB-NRFANRHFSA-N 1 1 318.464 3.811 20 30 DHEDMO Cc1ccc(C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)cc1C#N ZINC001179562690 1035482764 /nfs/dbraw/zinc/48/27/64/1035482764.db2.gz LZRVSIJQOZKDRH-UHFFFAOYSA-N 1 1 302.381 3.547 20 30 DHEDMO N#Cc1cc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cs1 ZINC001180174959 1035604323 /nfs/dbraw/zinc/60/43/23/1035604323.db2.gz PRIFEYLQPANDPY-KRWDZBQOSA-N 1 1 312.438 3.801 20 30 DHEDMO N#Cc1cc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cs1 ZINC001180174959 1035604324 /nfs/dbraw/zinc/60/43/24/1035604324.db2.gz PRIFEYLQPANDPY-KRWDZBQOSA-N 1 1 312.438 3.801 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@@H]2CC)c1 ZINC001180161605 1035613581 /nfs/dbraw/zinc/61/35/81/1035613581.db2.gz IZQYBDZFKNOIFP-ROUUACIJSA-N 1 1 312.457 3.755 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1OC(F)F ZINC001180168720 1035616882 /nfs/dbraw/zinc/61/68/82/1035616882.db2.gz BVKJXOJEPPNHKU-UHFFFAOYSA-N 1 1 320.314 3.931 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1OC(F)F ZINC001180168720 1035616889 /nfs/dbraw/zinc/61/68/89/1035616889.db2.gz BVKJXOJEPPNHKU-UHFFFAOYSA-N 1 1 320.314 3.931 20 30 DHEDMO C[C@@H]1CSCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000190843999 1035638935 /nfs/dbraw/zinc/63/89/35/1035638935.db2.gz VDCGBYGODYTPDW-HNNXBMFYSA-N 1 1 304.459 3.554 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC000668492448 1035664327 /nfs/dbraw/zinc/66/43/27/1035664327.db2.gz AUVMCAAQBVRZRU-CQSZACIVSA-N 1 1 305.418 3.501 20 30 DHEDMO CC[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)[C@@H]1C ZINC001193607058 1035674708 /nfs/dbraw/zinc/67/47/08/1035674708.db2.gz SIQPZVINGCTIDM-NEPJUHHUSA-N 1 1 307.235 3.941 20 30 DHEDMO CC[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)[C@@H]1C ZINC001193607058 1035674710 /nfs/dbraw/zinc/67/47/10/1035674710.db2.gz SIQPZVINGCTIDM-NEPJUHHUSA-N 1 1 307.235 3.941 20 30 DHEDMO C=CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000539440424 1035731887 /nfs/dbraw/zinc/73/18/87/1035731887.db2.gz JMXWSHABOBREAO-PKOBYXMFSA-N 1 1 314.473 3.760 20 30 DHEDMO COc1ccc(Cl)c(C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000191889602 1035743646 /nfs/dbraw/zinc/74/36/46/1035743646.db2.gz DNBNQTGBZYHPMZ-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO COc1ccc(Cl)c(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000191889602 1035743656 /nfs/dbraw/zinc/74/36/56/1035743656.db2.gz DNBNQTGBZYHPMZ-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1nc(-c2ccccc2)no1 ZINC000491260373 1035754979 /nfs/dbraw/zinc/75/49/79/1035754979.db2.gz PORUDDKBNCSIRU-UHFFFAOYSA-N 1 1 309.369 3.560 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc(-c2ccccc2)no1 ZINC000491260373 1035754997 /nfs/dbraw/zinc/75/49/97/1035754997.db2.gz PORUDDKBNCSIRU-UHFFFAOYSA-N 1 1 309.369 3.560 20 30 DHEDMO C=CC[N@@H+](C)CCOc1ccc(Cl)cc1Br ZINC000494687175 1035770172 /nfs/dbraw/zinc/77/01/72/1035770172.db2.gz DJUSBMKVOXECRH-UHFFFAOYSA-N 1 1 304.615 3.599 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2nc3ccc(OC)nc3[nH]2)CCCC1(C)C ZINC001193919907 1035772443 /nfs/dbraw/zinc/77/24/43/1035772443.db2.gz GPQAUKMJEOTXBD-CQSZACIVSA-N 1 1 314.433 3.533 20 30 DHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCC(C)(C)C#N ZINC000539567073 1035782458 /nfs/dbraw/zinc/78/24/58/1035782458.db2.gz HRQYNHXZDPVPLB-UHFFFAOYSA-N 1 1 310.445 3.881 20 30 DHEDMO C=CC[N@@H+](Cc1cn(Cc2ccccc2)nn1)CC1CCCCC1 ZINC000775601674 1035843303 /nfs/dbraw/zinc/84/33/03/1035843303.db2.gz DUGVQSRYZDPFDV-UHFFFAOYSA-N 1 1 324.472 3.895 20 30 DHEDMO C=CC[N@H+](Cc1cn(Cc2ccccc2)nn1)CC1CCCCC1 ZINC000775601674 1035843314 /nfs/dbraw/zinc/84/33/14/1035843314.db2.gz DUGVQSRYZDPFDV-UHFFFAOYSA-N 1 1 324.472 3.895 20 30 DHEDMO C#C[C@@H](C)[N@H+](C)Cc1c(Oc2ccc(F)cc2)nc2ccccn21 ZINC001181297116 1035882723 /nfs/dbraw/zinc/88/27/23/1035882723.db2.gz LURPBERBKTXDAA-CQSZACIVSA-N 1 1 323.371 3.719 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(Oc2ccc(F)cc2)nc2ccccn21 ZINC001181297116 1035882739 /nfs/dbraw/zinc/88/27/39/1035882739.db2.gz LURPBERBKTXDAA-CQSZACIVSA-N 1 1 323.371 3.719 20 30 DHEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000929831802 1035947876 /nfs/dbraw/zinc/94/78/76/1035947876.db2.gz GMZNSPCRZLVOBA-KRWDZBQOSA-N 1 1 300.450 3.730 20 30 DHEDMO Cc1ccccc1CC[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC001194632918 1035973404 /nfs/dbraw/zinc/97/34/04/1035973404.db2.gz ICQAUOUJIQTRDG-UHFFFAOYSA-N 1 1 308.425 3.810 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCC(=O)[C@H](C)C23CCCC3)cc1 ZINC001204305904 1035985617 /nfs/dbraw/zinc/98/56/17/1035985617.db2.gz NPWQMETZBXFRKP-INIZCTEOSA-N 1 1 313.441 3.975 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000540215084 1036012939 /nfs/dbraw/zinc/01/29/39/1036012939.db2.gz NPNWZKZTSDZMLJ-INIZCTEOSA-N 1 1 312.413 3.593 20 30 DHEDMO CC[C@@H](CC(F)F)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000595296772 1036067334 /nfs/dbraw/zinc/06/73/34/1036067334.db2.gz JQLPKTNEUQFEIF-AWEZNQCLSA-N 1 1 310.388 3.688 20 30 DHEDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000775620409 1036067628 /nfs/dbraw/zinc/06/76/28/1036067628.db2.gz GTHQNUVXRNIQML-UHFFFAOYSA-N 1 1 307.441 3.947 20 30 DHEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000494950574 1036149852 /nfs/dbraw/zinc/14/98/52/1036149852.db2.gz HKIFSLFMXFHTAB-GJZGRUSLSA-N 1 1 323.481 3.551 20 30 DHEDMO C=CC[N@H+](C/C=C\c1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000494973034 1036153999 /nfs/dbraw/zinc/15/39/99/1036153999.db2.gz AVHLSLYGGQHUGY-XQRVVYSFSA-N 1 1 309.369 3.691 20 30 DHEDMO C=CC[N@@H+](C/C=C\c1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000494973034 1036154009 /nfs/dbraw/zinc/15/40/09/1036154009.db2.gz AVHLSLYGGQHUGY-XQRVVYSFSA-N 1 1 309.369 3.691 20 30 DHEDMO C=CCC[C@@H](C(=O)NCCC[N@H+](C)C(C)C)c1ccccc1 ZINC000495004518 1036183271 /nfs/dbraw/zinc/18/32/71/1036183271.db2.gz GOHVAZLEYRWVBE-GOSISDBHSA-N 1 1 302.462 3.583 20 30 DHEDMO CC[C@@H](C/N=C/c1ccccc1O)[N@H+]1CCc2ccccc2C1 ZINC000914701126 1036249690 /nfs/dbraw/zinc/24/96/90/1036249690.db2.gz AGGSUEQTGXHWPR-IOVUBPJKSA-N 1 1 308.425 3.648 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cn(C)nc1C(C)(C)C ZINC000495150250 1036294226 /nfs/dbraw/zinc/29/42/26/1036294226.db2.gz VDWWAXKOSXUZGN-UHFFFAOYSA-N 1 1 301.434 3.541 20 30 DHEDMO Fc1ccc(F)c(CN[NH+]=C2CCCNc3ccccc32)c1 ZINC000774373287 1036303442 /nfs/dbraw/zinc/30/34/42/1036303442.db2.gz MNNDYESHQRXOHO-UHFFFAOYSA-N 1 1 301.340 3.664 20 30 DHEDMO C[C@@H](NCc1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272219316 1036334131 /nfs/dbraw/zinc/33/41/31/1036334131.db2.gz RPYKOEZJIVIXCF-DYESRHJHSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@@H](NCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272219316 1036334152 /nfs/dbraw/zinc/33/41/52/1036334152.db2.gz RPYKOEZJIVIXCF-DYESRHJHSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)Cc2ccccc21 ZINC000914787651 1036338450 /nfs/dbraw/zinc/33/84/50/1036338450.db2.gz AVVSWCYNCGHCKZ-OAHLLOKOSA-N 1 1 319.408 3.506 20 30 DHEDMO COc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c(O)c(C(C)(C)C)c1 ZINC000784015148 1036350178 /nfs/dbraw/zinc/35/01/78/1036350178.db2.gz VIVPTQWFQLADPN-IBGZPJMESA-N 1 1 316.445 3.824 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)c(O)c(C(C)(C)C)c1 ZINC000784015148 1036350192 /nfs/dbraw/zinc/35/01/92/1036350192.db2.gz VIVPTQWFQLADPN-IBGZPJMESA-N 1 1 316.445 3.824 20 30 DHEDMO Cc1cc(C[N@H+](Cc2cccc(O)c2)CC2CC2)ccc1C#N ZINC000487862347 1036351910 /nfs/dbraw/zinc/35/19/10/1036351910.db2.gz SKSIMJYDKOCECO-UHFFFAOYSA-N 1 1 306.409 3.985 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000464435718 1036356281 /nfs/dbraw/zinc/35/62/81/1036356281.db2.gz GDTPVPHTCCFXTI-LZLYRXPVSA-N 1 1 300.446 3.540 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000464435717 1036357259 /nfs/dbraw/zinc/35/72/59/1036357259.db2.gz GDTPVPHTCCFXTI-JZXOWHBKSA-N 1 1 300.446 3.540 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001195956158 1036403152 /nfs/dbraw/zinc/40/31/52/1036403152.db2.gz WMTMCIPPVOOIGO-AWEZNQCLSA-N 1 1 309.356 3.839 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2C)C1 ZINC001195947345 1036404019 /nfs/dbraw/zinc/40/40/19/1036404019.db2.gz SNMAZZAWOCCQBQ-CQSZACIVSA-N 1 1 306.837 3.875 20 30 DHEDMO COc1cccc([C@]2(C)CC[N@H+](Cc3cccc(F)c3C#N)C2)c1 ZINC001182902588 1036479677 /nfs/dbraw/zinc/47/96/77/1036479677.db2.gz NYSPRDHQONTOKU-HXUWFJFHSA-N 1 1 324.399 3.870 20 30 DHEDMO COc1cccc([C@]2(C)CC[N@@H+](Cc3cccc(F)c3C#N)C2)c1 ZINC001182902588 1036479690 /nfs/dbraw/zinc/47/96/90/1036479690.db2.gz NYSPRDHQONTOKU-HXUWFJFHSA-N 1 1 324.399 3.870 20 30 DHEDMO C=CC[N@@H+](CCOc1ccccc1C(C)=O)CCc1ccco1 ZINC000491424575 1036568987 /nfs/dbraw/zinc/56/89/87/1036568987.db2.gz VFBPANYPNCOGIV-UHFFFAOYSA-N 1 1 313.397 3.592 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cc(C)ccc1C ZINC000491409509 1036570397 /nfs/dbraw/zinc/57/03/97/1036570397.db2.gz HUNQIPYZJQVNIM-UHFFFAOYSA-N 1 1 312.413 3.566 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cc(C)ccc1C ZINC000491409509 1036570408 /nfs/dbraw/zinc/57/04/08/1036570408.db2.gz HUNQIPYZJQVNIM-UHFFFAOYSA-N 1 1 312.413 3.566 20 30 DHEDMO C=CCOCC[N@@H+]1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC001196842272 1036624349 /nfs/dbraw/zinc/62/43/49/1036624349.db2.gz QPGRISZFTZPHFA-UKRRQHHQSA-N 1 1 324.262 3.830 20 30 DHEDMO Cc1cccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1O ZINC000775746907 1036638658 /nfs/dbraw/zinc/63/86/58/1036638658.db2.gz HOLWCVWJMOKGSR-UHFFFAOYSA-N 1 1 304.393 3.862 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000774684196 1036679525 /nfs/dbraw/zinc/67/95/25/1036679525.db2.gz VPIRXOSFBJHVSG-PMPSAXMXSA-N 1 1 310.482 3.966 20 30 DHEDMO CCCCCCCC[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001273739210 1036708465 /nfs/dbraw/zinc/70/84/65/1036708465.db2.gz ZQUMIMCWERWPFE-ZJPYXAASSA-N 1 1 306.494 3.678 20 30 DHEDMO CC[C@@H](C[N@@H+](CC)Cn1ccc(C)c(C#N)c1=O)c1ccccc1 ZINC000774703700 1036729352 /nfs/dbraw/zinc/72/93/52/1036729352.db2.gz PRMPAUGHVBOQDT-KRWDZBQOSA-N 1 1 323.440 3.502 20 30 DHEDMO C[N@@H+](CCCc1ccc(F)c(F)c1)Cc1cc(C#N)cs1 ZINC001184035964 1036734755 /nfs/dbraw/zinc/73/47/55/1036734755.db2.gz SMHZNMKHNHULKD-UHFFFAOYSA-N 1 1 306.381 3.963 20 30 DHEDMO CCCC[N@@H+](C)CC1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000492193680 1036782496 /nfs/dbraw/zinc/78/24/96/1036782496.db2.gz DXAGZCZOCPBVHM-UHFFFAOYSA-N 1 1 317.452 3.641 20 30 DHEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC001197552440 1036798088 /nfs/dbraw/zinc/79/80/88/1036798088.db2.gz JVWNNEFGVNAGBR-OAHLLOKOSA-N 1 1 312.335 3.601 20 30 DHEDMO C[N@@H+](CC(=O)N(O)Cc1cccc2ccccc21)CC(C)(C)C ZINC001184340902 1036818771 /nfs/dbraw/zinc/81/87/71/1036818771.db2.gz SPBPGVWBDAMBSZ-UHFFFAOYSA-N 1 1 314.429 3.536 20 30 DHEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000488226620 1036911368 /nfs/dbraw/zinc/91/13/68/1036911368.db2.gz VVKKIUZWNGECDL-KRWDZBQOSA-N 1 1 319.424 3.768 20 30 DHEDMO C[C@H]1CSCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000488229024 1036914416 /nfs/dbraw/zinc/91/44/16/1036914416.db2.gz ZBCFOXHMRONQQY-CYBMUJFWSA-N 1 1 313.388 3.742 20 30 DHEDMO COc1cc2c(cc1F)C[N@H+](Cc1ccc(C#N)c(C)c1)CC2 ZINC000488295773 1036950606 /nfs/dbraw/zinc/95/06/06/1036950606.db2.gz QCOSBKPHVBHEIR-UHFFFAOYSA-N 1 1 310.372 3.573 20 30 DHEDMO COc1cc2c(cc1F)C[N@@H+](Cc1ccc(C#N)c(C)c1)CC2 ZINC000488295773 1036950627 /nfs/dbraw/zinc/95/06/27/1036950627.db2.gz QCOSBKPHVBHEIR-UHFFFAOYSA-N 1 1 310.372 3.573 20 30 DHEDMO C#CC[N@H+](Cc1ccc(CO)cc1)[C@H]1CCCc2ccccc21 ZINC001198104174 1036953007 /nfs/dbraw/zinc/95/30/07/1036953007.db2.gz MOCZVHRCIQGTPG-NRFANRHFSA-N 1 1 305.421 3.692 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cc(F)ccc2C#N)C1 ZINC001184865389 1036964988 /nfs/dbraw/zinc/96/49/88/1036964988.db2.gz PBHJHBZIWQZGGG-GASCZTMLSA-N 1 1 303.425 3.867 20 30 DHEDMO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000193576636 1036970878 /nfs/dbraw/zinc/97/08/78/1036970878.db2.gz RVMBRJJYXNLCOR-AWEZNQCLSA-N 1 1 312.335 3.601 20 30 DHEDMO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000193576650 1036971316 /nfs/dbraw/zinc/97/13/16/1036971316.db2.gz RVMBRJJYXNLCOR-CQSZACIVSA-N 1 1 312.335 3.601 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C(C)(C)C1 ZINC000492787992 1037012530 /nfs/dbraw/zinc/01/25/30/1037012530.db2.gz GTXJXGDFJUSYAV-NSHDSACASA-N 1 1 307.235 3.941 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)ccc1C#N ZINC000488452907 1037032827 /nfs/dbraw/zinc/03/28/27/1037032827.db2.gz YTILUZPYTZMORT-FQEVSTJZSA-N 1 1 320.436 3.905 20 30 DHEDMO Cn1cccc1[C@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000175144671 1037094134 /nfs/dbraw/zinc/09/41/34/1037094134.db2.gz AHPMSPIGKWPLQF-LJQANCHMSA-N 1 1 309.413 3.503 20 30 DHEDMO COC[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000488697043 1037110435 /nfs/dbraw/zinc/11/04/35/1037110435.db2.gz UMJZQGWWVNMHPQ-SFHVURJKSA-N 1 1 317.791 3.808 20 30 DHEDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000493159370 1037231392 /nfs/dbraw/zinc/23/13/92/1037231392.db2.gz USADHTKDVUXHOR-HNNXBMFYSA-N 1 1 323.481 3.553 20 30 DHEDMO N#CC1(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000775971499 1037274309 /nfs/dbraw/zinc/27/43/09/1037274309.db2.gz FBLWYQRVFBOZIP-CABCVRRESA-N 1 1 304.459 3.720 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1c(CC)cccc1CC ZINC000489425133 1037417639 /nfs/dbraw/zinc/41/76/39/1037417639.db2.gz ACVJGAVYGKPYIR-KRWDZBQOSA-N 1 1 300.446 3.790 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(CC)cccc1CC ZINC000489425133 1037417644 /nfs/dbraw/zinc/41/76/44/1037417644.db2.gz ACVJGAVYGKPYIR-KRWDZBQOSA-N 1 1 300.446 3.790 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000489428958 1037427944 /nfs/dbraw/zinc/42/79/44/1037427944.db2.gz FRTJOOGOALFMMZ-BMGDILEWSA-N 1 1 323.864 3.819 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000489440076 1037434522 /nfs/dbraw/zinc/43/45/22/1037434522.db2.gz ORFUWJMADDOITC-MJGOQNOKSA-N 1 1 312.457 3.611 20 30 DHEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000490023364 1037594200 /nfs/dbraw/zinc/59/42/00/1037594200.db2.gz IHEHVTHNYWQUEM-IBGZPJMESA-N 1 1 321.424 3.514 20 30 DHEDMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@H+]1CCCC#N ZINC000493975633 1037602572 /nfs/dbraw/zinc/60/25/72/1037602572.db2.gz UPKXTRMYBBWXDS-HOTGVXAUSA-N 1 1 321.465 3.544 20 30 DHEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001201390910 1037649173 /nfs/dbraw/zinc/64/91/73/1037649173.db2.gz SXEBHDPFRVCDGC-IBGZPJMESA-N 1 1 320.477 3.677 20 30 DHEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](CC1CCCCC1)C2 ZINC001201390556 1037649464 /nfs/dbraw/zinc/64/94/64/1037649464.db2.gz XTJHAUTUKPTSED-RTBURBONSA-N 1 1 307.478 3.640 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H]1CC=CCC1)[C@@H]2CC ZINC001201411946 1037651639 /nfs/dbraw/zinc/65/16/39/1037651639.db2.gz UFLAHDSTXXHIQN-NSHGMRRFSA-N 1 1 316.489 3.764 20 30 DHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000916151439 1037698670 /nfs/dbraw/zinc/69/86/70/1037698670.db2.gz ILOFGDSNHCZPJH-LSDHHAIUSA-N 1 1 319.408 3.505 20 30 DHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000916151439 1037698678 /nfs/dbraw/zinc/69/86/78/1037698678.db2.gz ILOFGDSNHCZPJH-LSDHHAIUSA-N 1 1 319.408 3.505 20 30 DHEDMO CC[N@H+](Cc1ccc(F)c(C#N)c1)C[C@H](O)c1ccc(C)cc1 ZINC000121583293 1037699213 /nfs/dbraw/zinc/69/92/13/1037699213.db2.gz OPEANNBKHFOVAL-IBGZPJMESA-N 1 1 312.388 3.561 20 30 DHEDMO CCCCCCCCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000916193970 1037708569 /nfs/dbraw/zinc/70/85/69/1037708569.db2.gz CAZVJOBHLVUVCK-SJORKVTESA-N 1 1 309.498 3.663 20 30 DHEDMO C=CC[N@@H+](Cc1cc(-c2cnn(C)c2C)no1)Cc1ccccc1 ZINC000184407520 1037733342 /nfs/dbraw/zinc/73/33/42/1037733342.db2.gz RBXDGJNHAHUZPH-UHFFFAOYSA-N 1 1 322.412 3.572 20 30 DHEDMO C=CC[N@H+](Cc1cc(-c2cnn(C)c2C)no1)Cc1ccccc1 ZINC000184407520 1037733361 /nfs/dbraw/zinc/73/33/61/1037733361.db2.gz RBXDGJNHAHUZPH-UHFFFAOYSA-N 1 1 322.412 3.572 20 30 DHEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C[C@@H](C)CCC)C2)C1 ZINC001201539471 1037744864 /nfs/dbraw/zinc/74/48/64/1037744864.db2.gz VWCQTUWTJYZKLK-WMZOPIPTSA-N 1 1 308.466 3.533 20 30 DHEDMO C#CC[N@@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCc2ccccc21 ZINC000490636951 1037766036 /nfs/dbraw/zinc/76/60/36/1037766036.db2.gz OXTAPSQIWHVVJA-HXUWFJFHSA-N 1 1 322.452 3.710 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@H+](C[C@@H](CC)CCCC)C2)C1=O ZINC001201559640 1037774839 /nfs/dbraw/zinc/77/48/39/1037774839.db2.gz MMDVCUYFVJIAJX-HKUYNNGSSA-N 1 1 306.494 3.703 20 30 DHEDMO CCCCCCCCCCCCN1CC[NH+](CCCO)CC1 ZINC001201631521 1037802497 /nfs/dbraw/zinc/80/24/97/1037802497.db2.gz VMXPCLKFWQULKR-UHFFFAOYSA-N 1 1 312.542 3.907 20 30 DHEDMO C=C(C)c1ccccc1Nc1cc[nH+]c(N2CCN(C)CC2)c1 ZINC001201667023 1037820878 /nfs/dbraw/zinc/82/08/78/1037820878.db2.gz KOMANGLEEKMBJA-UHFFFAOYSA-N 1 1 308.429 3.610 20 30 DHEDMO CC(C)C[C@@H]1CCCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763410398 1037828524 /nfs/dbraw/zinc/82/85/24/1037828524.db2.gz KTQGQBNYMDUSER-RBUKOAKNSA-N 1 1 300.446 3.882 20 30 DHEDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763412302 1037832183 /nfs/dbraw/zinc/83/21/83/1037832183.db2.gz WXDYQNZDEKOVCF-SFTDATJTSA-N 1 1 320.436 3.607 20 30 DHEDMO CCCCOc1ccc(C[NH+]2CCC(C#N)CC2)cc1OCC ZINC000123754247 1037864325 /nfs/dbraw/zinc/86/43/25/1037864325.db2.gz DAGMTWGMIKFNNA-UHFFFAOYSA-N 1 1 316.445 4.000 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCCCCC)[C@@H]2CC ZINC001201746465 1037869820 /nfs/dbraw/zinc/86/98/20/1037869820.db2.gz HOOZSNUYBONXJU-MJGOQNOKSA-N 1 1 306.494 3.988 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2ncn(C)c2[C@H](COCC(C)C)C1 ZINC001201762816 1037884164 /nfs/dbraw/zinc/88/41/64/1037884164.db2.gz WIILWUYIQRGEAM-KRWDZBQOSA-N 1 1 321.509 3.962 20 30 DHEDMO CCCCCCCC[N@@H+]1Cc2nn(CC)cc2[C@H](COC)C1 ZINC001201804720 1037901319 /nfs/dbraw/zinc/90/13/19/1037901319.db2.gz RIVBZCMNHNSOOF-INIZCTEOSA-N 1 1 307.482 3.809 20 30 DHEDMO CCCCCCC[N@H+]1CCCn2cnc(COC(C)C)c2C1 ZINC001201777040 1037903218 /nfs/dbraw/zinc/90/32/18/1037903218.db2.gz SHFUSPFLQWZFAY-UHFFFAOYSA-N 1 1 307.482 3.984 20 30 DHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCO[C@H](C)C1 ZINC000491088566 1037909887 /nfs/dbraw/zinc/90/98/87/1037909887.db2.gz AYEPQLGXTCSMMQ-APWZRJJASA-N 1 1 300.446 3.831 20 30 DHEDMO CCCCCCCCCC[N@H+]1Cc2ccnn2CC[C@H]1CO ZINC001201875133 1037925189 /nfs/dbraw/zinc/92/51/89/1037925189.db2.gz QGZWRDDLZNJMQM-SFHVURJKSA-N 1 1 307.482 3.590 20 30 DHEDMO Cc1cccc(OCC[N@@H+](C)CCCOc2ccc(C#N)cc2)c1 ZINC000917020705 1038121441 /nfs/dbraw/zinc/12/14/41/1038121441.db2.gz LXYXUHBDKUXOIF-UHFFFAOYSA-N 1 1 324.424 3.646 20 30 DHEDMO C=CCOc1cccc(C[N@H+](C)[C@H](CCO)c2ccccc2)c1 ZINC000126884987 1038132815 /nfs/dbraw/zinc/13/28/15/1038132815.db2.gz PCOUYCRSIUSNIV-HXUWFJFHSA-N 1 1 311.425 3.807 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@@H+](CC)Cc2ccccn2)c1O ZINC000164472155 1038202788 /nfs/dbraw/zinc/20/27/88/1038202788.db2.gz JZOJYKLWYLHTPT-UHFFFAOYSA-N 1 1 312.413 3.546 20 30 DHEDMO CC[C@H](C)[N@@H+](CC)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000595593037 1038204919 /nfs/dbraw/zinc/20/49/19/1038204919.db2.gz MNWSTZYFYOGYEY-AWEZNQCLSA-N 1 1 321.852 3.707 20 30 DHEDMO C#CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc21 ZINC000917118168 1038220101 /nfs/dbraw/zinc/22/01/01/1038220101.db2.gz YJNNQLZMNLNVRV-FQEVSTJZSA-N 1 1 320.392 3.760 20 30 DHEDMO C=C(C)Cc1ccc(C(=O)N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC001190233684 1038280115 /nfs/dbraw/zinc/28/01/15/1038280115.db2.gz ZYYMLUCBKCEDTA-LDLYASANSA-N 1 1 312.457 3.550 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1ccc(OC)cc1)Cc1ccccc1 ZINC000055901710 1038280245 /nfs/dbraw/zinc/28/02/45/1038280245.db2.gz VNHHECAZUGNYIK-UHFFFAOYSA-N 1 1 324.424 3.712 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCCCCC#N)C1 ZINC000588365295 1038309566 /nfs/dbraw/zinc/30/95/66/1038309566.db2.gz PVMMMEORDAUKHN-MSOLQXFVSA-N 1 1 319.493 3.573 20 30 DHEDMO C#CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000775399004 1038353773 /nfs/dbraw/zinc/35/37/73/1038353773.db2.gz DLCIAHLTBNVTBF-HNNXBMFYSA-N 1 1 321.336 3.590 20 30 DHEDMO C#CC[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)C1CCCCC1 ZINC001190699699 1038364616 /nfs/dbraw/zinc/36/46/16/1038364616.db2.gz NAGRYWINKIEWDR-UHFFFAOYSA-N 1 1 322.811 3.686 20 30 DHEDMO C#CC[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)C1CCCCC1 ZINC001190699699 1038364622 /nfs/dbraw/zinc/36/46/22/1038364622.db2.gz NAGRYWINKIEWDR-UHFFFAOYSA-N 1 1 322.811 3.686 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)c(OC(F)F)c1 ZINC000588978213 1038414561 /nfs/dbraw/zinc/41/45/61/1038414561.db2.gz QDKOWYSANYEYDC-AWEZNQCLSA-N 1 1 306.356 3.782 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)n1 ZINC000589495770 1038486443 /nfs/dbraw/zinc/48/64/43/1038486443.db2.gz LIEFLFLMLRDACE-AWEZNQCLSA-N 1 1 322.437 3.876 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)n1 ZINC000589495770 1038486448 /nfs/dbraw/zinc/48/64/48/1038486448.db2.gz LIEFLFLMLRDACE-AWEZNQCLSA-N 1 1 322.437 3.876 20 30 DHEDMO C=CCOc1ccc(CNCC[N@H+](CC)C(C)C)cc1Cl ZINC000589650001 1038528615 /nfs/dbraw/zinc/52/86/15/1038528615.db2.gz PLEGTEXSEOOBRZ-UHFFFAOYSA-N 1 1 310.869 3.725 20 30 DHEDMO C=CCOc1ccc(C[NH2+]CCN(CC)C(C)C)cc1Cl ZINC000589650001 1038528627 /nfs/dbraw/zinc/52/86/27/1038528627.db2.gz PLEGTEXSEOOBRZ-UHFFFAOYSA-N 1 1 310.869 3.725 20 30 DHEDMO CC(C)([NH2+]Cc1cccc(F)c1C#N)c1ccc([N+](=O)[O-])cc1 ZINC000589990971 1038566239 /nfs/dbraw/zinc/56/62/39/1038566239.db2.gz XVQNRLCYGDTEHQ-UHFFFAOYSA-N 1 1 313.332 3.630 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000590155857 1038593087 /nfs/dbraw/zinc/59/30/87/1038593087.db2.gz KMZRVUMMJPXYDX-ZNSHCXBVSA-N 1 1 314.273 3.741 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@H+]2C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)C1 ZINC000590155857 1038593092 /nfs/dbraw/zinc/59/30/92/1038593092.db2.gz KMZRVUMMJPXYDX-ZNSHCXBVSA-N 1 1 314.273 3.741 20 30 DHEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@H](CC(C)C)C2)c1C#N ZINC001192200518 1038601974 /nfs/dbraw/zinc/60/19/74/1038601974.db2.gz SMOVNJTYTVZMIR-OAHLLOKOSA-N 1 1 314.429 3.603 20 30 DHEDMO C=C(C)C[NH+]1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC001192435981 1038656970 /nfs/dbraw/zinc/65/69/70/1038656970.db2.gz WXCLQAYZRSTTKP-UHFFFAOYSA-N 1 1 304.437 3.950 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000590750305 1038698379 /nfs/dbraw/zinc/69/83/79/1038698379.db2.gz YHPIDNXCHKWQQU-SFHVURJKSA-N 1 1 314.816 3.686 20 30 DHEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1(C)C ZINC000590757679 1038699132 /nfs/dbraw/zinc/69/91/32/1038699132.db2.gz ZUYQQKFRIKXFFT-KRWDZBQOSA-N 1 1 300.446 3.735 20 30 DHEDMO CCCCCCC[C@H](C)NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC001192927505 1038722206 /nfs/dbraw/zinc/72/22/06/1038722206.db2.gz QTWHJHRFNQNFKM-IRXDYDNUSA-N 1 1 309.498 3.615 20 30 DHEDMO C#CCC[N@@H+]1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000760826132 1038876472 /nfs/dbraw/zinc/87/64/72/1038876472.db2.gz ACJUKVGMYSKBCZ-QGZVFWFLSA-N 1 1 301.430 3.514 20 30 DHEDMO N#Cc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1Cl ZINC000591573416 1038937224 /nfs/dbraw/zinc/93/72/24/1038937224.db2.gz UKKXBHMARVZFIK-CGTJXYLNSA-N 1 1 317.864 3.612 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591582334 1038938544 /nfs/dbraw/zinc/93/85/44/1038938544.db2.gz ISPXQQYWOJOXPU-IEBWSBKVSA-N 1 1 309.457 3.590 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000573615481 1039002895 /nfs/dbraw/zinc/00/28/95/1039002895.db2.gz XFCBFGRCMSLUDP-CQSZACIVSA-N 1 1 313.382 3.865 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000573615481 1039002902 /nfs/dbraw/zinc/00/29/02/1039002902.db2.gz XFCBFGRCMSLUDP-CQSZACIVSA-N 1 1 313.382 3.865 20 30 DHEDMO C[N@@H+]1CCCC[C@@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000599071867 1039028726 /nfs/dbraw/zinc/02/87/26/1039028726.db2.gz UZCDRHCYSZNURH-FXAWDEMLSA-N 1 1 311.473 3.647 20 30 DHEDMO C[N@H+]1CCCC[C@@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000599071867 1039028745 /nfs/dbraw/zinc/02/87/45/1039028745.db2.gz UZCDRHCYSZNURH-FXAWDEMLSA-N 1 1 311.473 3.647 20 30 DHEDMO COc1ccc(COCC[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000591853697 1039034968 /nfs/dbraw/zinc/03/49/68/1039034968.db2.gz YTLKPLPHXOGNCQ-INIZCTEOSA-N 1 1 324.424 3.776 20 30 DHEDMO CC(C)N1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000603554792 1039049213 /nfs/dbraw/zinc/04/92/13/1039049213.db2.gz QLLUYRCAKRACNY-UHFFFAOYSA-N 1 1 319.452 3.751 20 30 DHEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(Br)o2)cc1C#N ZINC000599258989 1039104361 /nfs/dbraw/zinc/10/43/61/1039104361.db2.gz IXUWHZLHCQHIPW-UHFFFAOYSA-N 1 1 319.202 3.854 20 30 DHEDMO Cc1cccc(C[N@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])c1C ZINC000573806589 1039074813 /nfs/dbraw/zinc/07/48/13/1039074813.db2.gz LLBWHNXJGBOSIF-UHFFFAOYSA-N 1 1 309.369 3.715 20 30 DHEDMO Cc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])c1C ZINC000573806589 1039074832 /nfs/dbraw/zinc/07/48/32/1039074832.db2.gz LLBWHNXJGBOSIF-UHFFFAOYSA-N 1 1 309.369 3.715 20 30 DHEDMO Cc1ccc(C[N@H+](C)Cc2ccc(Br)o2)cc1C#N ZINC000599258989 1039104346 /nfs/dbraw/zinc/10/43/46/1039104346.db2.gz IXUWHZLHCQHIPW-UHFFFAOYSA-N 1 1 319.202 3.854 20 30 DHEDMO N#Cc1cnccc1C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000592060759 1039105632 /nfs/dbraw/zinc/10/56/32/1039105632.db2.gz ZEYPVBOPSUBIOZ-UHFFFAOYSA-N 1 1 309.388 3.547 20 30 DHEDMO Cc1ccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)cc1C#N ZINC000599285372 1039110099 /nfs/dbraw/zinc/11/00/99/1039110099.db2.gz QTDPBUZAXPJLEG-HXUWFJFHSA-N 1 1 306.409 3.830 20 30 DHEDMO C[N@H+](Cc1ccncc1C#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000592066281 1039115459 /nfs/dbraw/zinc/11/54/59/1039115459.db2.gz ODQSTIKZDRXLSF-UYAOXDASSA-N 1 1 321.424 3.553 20 30 DHEDMO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1CCCC(C)(C)C#N ZINC000592156694 1039130623 /nfs/dbraw/zinc/13/06/23/1039130623.db2.gz REJFKIMJOADGJY-PBHICJAKSA-N 1 1 304.409 3.917 20 30 DHEDMO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1CCCC(C)(C)C#N ZINC000592156694 1039130629 /nfs/dbraw/zinc/13/06/29/1039130629.db2.gz REJFKIMJOADGJY-PBHICJAKSA-N 1 1 304.409 3.917 20 30 DHEDMO Cc1ccc(C[N@@H+](Cc2ccccc2)CC(C)(C)O)cc1C#N ZINC000599353447 1039131180 /nfs/dbraw/zinc/13/11/80/1039131180.db2.gz MKADSKXTWBESIG-UHFFFAOYSA-N 1 1 308.425 3.640 20 30 DHEDMO C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1Cc1ccncc1C#N ZINC000592138547 1039134151 /nfs/dbraw/zinc/13/41/51/1039134151.db2.gz SYAZXMKISUQQNV-LJQANCHMSA-N 1 1 309.388 3.690 20 30 DHEDMO Cc1ccc(C[N@@H+](CCOc2ccccc2C#N)CC2CC2)cn1 ZINC000592145099 1039138122 /nfs/dbraw/zinc/13/81/22/1039138122.db2.gz OYDZZTLLRZXWAQ-UHFFFAOYSA-N 1 1 321.424 3.553 20 30 DHEDMO Cc1ccc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1C#N ZINC000599421317 1039150797 /nfs/dbraw/zinc/15/07/97/1039150797.db2.gz CFXKGWAWNPLXKB-HXUWFJFHSA-N 1 1 317.436 3.504 20 30 DHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCCC[C@@H]3C3CCC3)o2)c1 ZINC000592197175 1039180798 /nfs/dbraw/zinc/18/07/98/1039180798.db2.gz BVTDGCVAZKCFEP-QGZVFWFLSA-N 1 1 322.412 3.763 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)cc1 ZINC000603843184 1039181535 /nfs/dbraw/zinc/18/15/35/1039181535.db2.gz CEYWYMXWPHXCDB-FQEVSTJZSA-N 1 1 322.408 3.783 20 30 DHEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@H]2Cc2ccccc2)c1 ZINC000603839935 1039193878 /nfs/dbraw/zinc/19/38/78/1039193878.db2.gz FQYKGARUIHUHAY-IBGZPJMESA-N 1 1 306.409 3.644 20 30 DHEDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000603867999 1039203290 /nfs/dbraw/zinc/20/32/90/1039203290.db2.gz IDSZKXWGBVOLRL-SFHVURJKSA-N 1 1 324.399 3.913 20 30 DHEDMO Cc1ccccc1-c1cccc(C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592522162 1039224764 /nfs/dbraw/zinc/22/47/64/1039224764.db2.gz IMNGQKZZCNFCIV-FQEVSTJZSA-N 1 1 306.409 3.513 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCO[C@H](CCF)C2)cc1 ZINC000599643821 1039246018 /nfs/dbraw/zinc/24/60/18/1039246018.db2.gz VVQLJVHDWUKVHN-LJQANCHMSA-N 1 1 324.399 3.786 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@H](CCF)C2)cc1 ZINC000599643821 1039246038 /nfs/dbraw/zinc/24/60/38/1039246038.db2.gz VVQLJVHDWUKVHN-LJQANCHMSA-N 1 1 324.399 3.786 20 30 DHEDMO CCCc1nc(C)c(C[N@@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000599678399 1039267154 /nfs/dbraw/zinc/26/71/54/1039267154.db2.gz PSZGTEJOCGTJPO-UHFFFAOYSA-N 1 1 309.413 3.560 20 30 DHEDMO CCCc1nc(C)c(C[N@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000599678399 1039267165 /nfs/dbraw/zinc/26/71/65/1039267165.db2.gz PSZGTEJOCGTJPO-UHFFFAOYSA-N 1 1 309.413 3.560 20 30 DHEDMO COC[C@@H](C)[N@@H+](CCCSCC#N)[C@@H]1CCc2ccccc21 ZINC000599684133 1039268946 /nfs/dbraw/zinc/26/89/46/1039268946.db2.gz VKWCBMGQPLBNEN-CRAIPNDOSA-N 1 1 318.486 3.658 20 30 DHEDMO C/C=C\C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000599688054 1039269546 /nfs/dbraw/zinc/26/95/46/1039269546.db2.gz BRRSERMTLFRETC-RXYHWBRQSA-N 1 1 311.429 3.565 20 30 DHEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000593054824 1039376162 /nfs/dbraw/zinc/37/61/62/1039376162.db2.gz GGGJYLYTJISYFU-QGZVFWFLSA-N 1 1 300.446 3.877 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCCC#N)cc2)C1 ZINC000593963968 1039658516 /nfs/dbraw/zinc/65/85/16/1039658516.db2.gz BDQSJZKVEPQSPF-MRXNPFEDSA-N 1 1 313.445 3.941 20 30 DHEDMO C=CCOc1ccc(CNCC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000594054076 1039673304 /nfs/dbraw/zinc/67/33/04/1039673304.db2.gz OROMKJHZFROILI-IAGOWNOFSA-N 1 1 302.462 3.604 20 30 DHEDMO C=CC[N@H+](CCCc1cncn1C)Cc1ccc(Cl)s1 ZINC000574462263 1039690854 /nfs/dbraw/zinc/69/08/54/1039690854.db2.gz CBZMXOMWSTUMPJ-UHFFFAOYSA-N 1 1 309.866 3.756 20 30 DHEDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046528432 1039734851 /nfs/dbraw/zinc/73/48/51/1039734851.db2.gz HAGOLWOXEJWNSK-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000046528432 1039734864 /nfs/dbraw/zinc/73/48/64/1039734864.db2.gz HAGOLWOXEJWNSK-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO C[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000594493991 1039795639 /nfs/dbraw/zinc/79/56/39/1039795639.db2.gz CYMNDAUQWJFHBE-IRXDYDNUSA-N 1 1 313.489 3.698 20 30 DHEDMO C[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000594493991 1039795651 /nfs/dbraw/zinc/79/56/51/1039795651.db2.gz CYMNDAUQWJFHBE-IRXDYDNUSA-N 1 1 313.489 3.698 20 30 DHEDMO C[C@H](CNCc1ccc(C(C)(C)C#N)cc1)[N@@H+]1CCCC[C@H]1C ZINC000594496029 1039795996 /nfs/dbraw/zinc/79/59/96/1039795996.db2.gz XSGHNDRHBGPFMA-IAGOWNOFSA-N 1 1 313.489 3.840 20 30 DHEDMO C[C@H](CNCc1ccc(C(C)(C)C#N)cc1)[N@H+]1CCCC[C@H]1C ZINC000594496029 1039796012 /nfs/dbraw/zinc/79/60/12/1039796012.db2.gz XSGHNDRHBGPFMA-IAGOWNOFSA-N 1 1 313.489 3.840 20 30 DHEDMO CC(C)[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)N1CCCC1 ZINC000594494921 1039798211 /nfs/dbraw/zinc/79/82/11/1039798211.db2.gz LKLLZFUCPNSCHW-IBGZPJMESA-N 1 1 313.489 3.698 20 30 DHEDMO CC1(C)CC(NCc2ccc(C3(C#N)CC3)cc2)CC(C)(C)[NH2+]1 ZINC000594921831 1039927515 /nfs/dbraw/zinc/92/75/15/1039927515.db2.gz UONIXCYHMGADHE-UHFFFAOYSA-N 1 1 311.473 3.641 20 30 DHEDMO C[C@@H](CNCc1ccc(C2(C#N)CC2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000594926677 1039929167 /nfs/dbraw/zinc/92/91/67/1039929167.db2.gz VDAJEWVOJDXIDQ-IRXDYDNUSA-N 1 1 311.473 3.594 20 30 DHEDMO C[C@@H](CNCc1ccc(C2(C#N)CC2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000594926677 1039929179 /nfs/dbraw/zinc/92/91/79/1039929179.db2.gz VDAJEWVOJDXIDQ-IRXDYDNUSA-N 1 1 311.473 3.594 20 30 DHEDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000615224990 1039933447 /nfs/dbraw/zinc/93/34/47/1039933447.db2.gz GDDHWGKUGXGHNK-QGZVFWFLSA-N 1 1 314.820 3.591 20 30 DHEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000615224990 1039933459 /nfs/dbraw/zinc/93/34/59/1039933459.db2.gz GDDHWGKUGXGHNK-QGZVFWFLSA-N 1 1 314.820 3.591 20 30 DHEDMO Cc1c2cccc(C)c2oc1C[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000594014809 1039941283 /nfs/dbraw/zinc/94/12/83/1039941283.db2.gz LMLFPVTWCZYAPL-UHFFFAOYSA-N 1 1 305.381 3.948 20 30 DHEDMO Cc1c2cccc(C)c2oc1C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000594014809 1039941299 /nfs/dbraw/zinc/94/12/99/1039941299.db2.gz LMLFPVTWCZYAPL-UHFFFAOYSA-N 1 1 305.381 3.948 20 30 DHEDMO Cc1ccccc1OCCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC000059393667 1039952025 /nfs/dbraw/zinc/95/20/25/1039952025.db2.gz MMBOOVBJBOZRPA-UHFFFAOYSA-N 1 1 312.388 3.907 20 30 DHEDMO N#CCCC[C@@H]([NH2+]Cc1cn(C2CCC2)nn1)c1ccccc1 ZINC000594945975 1039960807 /nfs/dbraw/zinc/96/08/07/1039960807.db2.gz YGKQYNAXVUGZJW-GOSISDBHSA-N 1 1 309.417 3.528 20 30 DHEDMO Cc1ccc2nc(C[NH2+]C3(c4ccc(C#N)cc4)CCC3)cn2c1 ZINC000594033317 1039964511 /nfs/dbraw/zinc/96/45/11/1039964511.db2.gz ZLGUXWPGXXXFKZ-UHFFFAOYSA-N 1 1 316.408 3.683 20 30 DHEDMO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981214 1039992411 /nfs/dbraw/zinc/99/24/11/1039992411.db2.gz KUYAJCPEOGUWTD-UHFFFAOYSA-N 1 1 302.466 3.819 20 30 DHEDMO Cc1ccccc1-n1nccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981186 1039995220 /nfs/dbraw/zinc/99/52/20/1039995220.db2.gz JRXHYWZAKDPEFO-UHFFFAOYSA-N 1 1 308.429 3.744 20 30 DHEDMO C[C@@H](C[NH+]1CCC(C)CC1)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594982773 1040001680 /nfs/dbraw/zinc/00/16/80/1040001680.db2.gz HBKWCRPQLIJRGU-KRWDZBQOSA-N 1 1 313.489 3.698 20 30 DHEDMO COc1cc(C[NH2+]CC2(C#N)CCCCC2)ccc1SC ZINC000594994787 1040012222 /nfs/dbraw/zinc/01/22/22/1040012222.db2.gz LLRGBCBRTGBRSK-UHFFFAOYSA-N 1 1 304.459 3.981 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000606902692 1040026924 /nfs/dbraw/zinc/02/69/24/1040026924.db2.gz QTUYXNJJFANAHU-MRXNPFEDSA-N 1 1 300.446 3.642 20 30 DHEDMO C=CCC[N@@H+](C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC000606898047 1040027205 /nfs/dbraw/zinc/02/72/05/1040027205.db2.gz ZBXZYKCHNJHVMO-SFHVURJKSA-N 1 1 313.441 3.866 20 30 DHEDMO C[C@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(C#N)cc1F ZINC000595081974 1040074662 /nfs/dbraw/zinc/07/46/62/1040074662.db2.gz VKSYQAACMPYPEZ-HOCLYGCPSA-N 1 1 315.436 3.755 20 30 DHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccnn1-c1ccccc1 ZINC000595090513 1040075941 /nfs/dbraw/zinc/07/59/41/1040075941.db2.gz GZAUUNGHFCNHIN-INIZCTEOSA-N 1 1 308.429 3.997 20 30 DHEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc2c(c1)OCCO2 ZINC000595098290 1040082670 /nfs/dbraw/zinc/08/26/70/1040082670.db2.gz NNHLOEXSAQQOFA-AWEZNQCLSA-N 1 1 300.402 3.582 20 30 DHEDMO C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)C[C@@H](c2ccccc2)O1 ZINC000595294570 1040089586 /nfs/dbraw/zinc/08/95/86/1040089586.db2.gz POTOPILURAIEHZ-JXFKEZNVSA-N 1 1 306.409 3.563 20 30 DHEDMO C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)C[C@@H](c2ccsc2)O1 ZINC000595343648 1040102415 /nfs/dbraw/zinc/10/24/15/1040102415.db2.gz HKBFQOCBYWLDKU-KSSFIOAISA-N 1 1 312.438 3.624 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595326021 1040108753 /nfs/dbraw/zinc/10/87/53/1040108753.db2.gz LRLBEBANDZTFJB-INIZCTEOSA-N 1 1 308.425 3.672 20 30 DHEDMO C[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000575062849 1040120575 /nfs/dbraw/zinc/12/05/75/1040120575.db2.gz BCDGCUJXIFOFMP-LJQANCHMSA-N 1 1 321.380 3.630 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000595383400 1040128300 /nfs/dbraw/zinc/12/83/00/1040128300.db2.gz MPYSPRCGPZGQTR-HXUWFJFHSA-N 1 1 305.425 3.677 20 30 DHEDMO CC(C)[N@H+](Cc1cccs1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000592998891 1040132534 /nfs/dbraw/zinc/13/25/34/1040132534.db2.gz HJIUCGWKNLEKRU-UHFFFAOYSA-N 1 1 315.398 3.939 20 30 DHEDMO CC(C)[N@@H+](Cc1cccs1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000592998891 1040132547 /nfs/dbraw/zinc/13/25/47/1040132547.db2.gz HJIUCGWKNLEKRU-UHFFFAOYSA-N 1 1 315.398 3.939 20 30 DHEDMO CCC[N@H+](Cc1cc2n(n1)CCCC2)Cc1ccc(C#N)cc1 ZINC000592998912 1040133516 /nfs/dbraw/zinc/13/35/16/1040133516.db2.gz GXLOYYVBVFTNFJ-UHFFFAOYSA-N 1 1 308.429 3.503 20 30 DHEDMO CCC[N@@H+](Cc1cc2n(n1)CCCC2)Cc1ccc(C#N)cc1 ZINC000592998912 1040133523 /nfs/dbraw/zinc/13/35/23/1040133523.db2.gz GXLOYYVBVFTNFJ-UHFFFAOYSA-N 1 1 308.429 3.503 20 30 DHEDMO CC[N@H+](Cc1cc2n(n1)CCCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000592998672 1040133890 /nfs/dbraw/zinc/13/38/90/1040133890.db2.gz DVLGXEFLZQRAHL-HNNXBMFYSA-N 1 1 308.429 3.674 20 30 DHEDMO CC[N@@H+](Cc1cc2n(n1)CCCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000592998672 1040133893 /nfs/dbraw/zinc/13/38/93/1040133893.db2.gz DVLGXEFLZQRAHL-HNNXBMFYSA-N 1 1 308.429 3.674 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C(F)F)C2)c(C(F)(F)F)c1 ZINC000595404655 1040138834 /nfs/dbraw/zinc/13/88/34/1040138834.db2.gz RKBLXTKTFGTPGY-NSHDSACASA-N 1 1 304.262 3.664 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)F)C2)c(C(F)(F)F)c1 ZINC000595404655 1040138844 /nfs/dbraw/zinc/13/88/44/1040138844.db2.gz RKBLXTKTFGTPGY-NSHDSACASA-N 1 1 304.262 3.664 20 30 DHEDMO C[C@@H]1C[C@@H](C)C[NH+](CCN[C@@H](CCCC#N)c2ccccc2)C1 ZINC000595502904 1040154695 /nfs/dbraw/zinc/15/46/95/1040154695.db2.gz ORSSKZIBUOXTCG-GGPKGHCWSA-N 1 1 313.489 3.989 20 30 DHEDMO C=CC[N@H+](CCOc1cccc(C)c1)Cc1cccc(C#N)c1 ZINC000063300817 1040182392 /nfs/dbraw/zinc/18/23/92/1040182392.db2.gz YEZMWUITSZHINM-UHFFFAOYSA-N 1 1 306.409 3.934 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C)CC1 ZINC000063302562 1040187229 /nfs/dbraw/zinc/18/72/29/1040187229.db2.gz XGJZNXZJDWNJLV-JKSUJKDBSA-N 1 1 320.502 3.773 20 30 DHEDMO C[C@H](c1ccc(F)cc1)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631622 1040198567 /nfs/dbraw/zinc/19/85/67/1040198567.db2.gz GAKQJFCZIYLJSO-CYBMUJFWSA-N 1 1 315.417 3.642 20 30 DHEDMO COc1cccc([C@]2(C)CC[N@@H+](CCCC(C)(C)C#N)C2)c1 ZINC000595762926 1040234785 /nfs/dbraw/zinc/23/47/85/1040234785.db2.gz CFMAXFMLXXLHMN-LJQANCHMSA-N 1 1 300.446 3.989 20 30 DHEDMO C=CC1CC[NH+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000607731577 1040238923 /nfs/dbraw/zinc/23/89/23/1040238923.db2.gz HQEDNEFVQPANAK-QGZVFWFLSA-N 1 1 318.848 3.733 20 30 DHEDMO N#Cc1c(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cn2ccccc12 ZINC000595788343 1040255740 /nfs/dbraw/zinc/25/57/40/1040255740.db2.gz JKAPEWKSNJPZQK-JXFKEZNVSA-N 1 1 323.440 3.592 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000595829420 1040265057 /nfs/dbraw/zinc/26/50/57/1040265057.db2.gz HRLARNOFPQCXBF-WOJBJXKFSA-N 1 1 318.420 3.694 20 30 DHEDMO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H](CC(F)(F)F)O1 ZINC000595891443 1040269878 /nfs/dbraw/zinc/26/98/78/1040269878.db2.gz HAVHEJOLLQDVBT-STQMWFEESA-N 1 1 306.372 3.748 20 30 DHEDMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@H](CC(F)(F)F)O1 ZINC000595891443 1040269888 /nfs/dbraw/zinc/26/98/88/1040269888.db2.gz HAVHEJOLLQDVBT-STQMWFEESA-N 1 1 306.372 3.748 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@](C)(C(F)F)O1 ZINC000595917466 1040284870 /nfs/dbraw/zinc/28/48/70/1040284870.db2.gz MYAARYHUKANXCX-ACJLOTCBSA-N 1 1 322.399 3.732 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@](C)(C(F)F)O1 ZINC000595917466 1040284885 /nfs/dbraw/zinc/28/48/85/1040284885.db2.gz MYAARYHUKANXCX-ACJLOTCBSA-N 1 1 322.399 3.732 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H](COC)c2ccc(CC)o2)cc1 ZINC000608060595 1040358055 /nfs/dbraw/zinc/35/80/55/1040358055.db2.gz MADARCKXLFZNBH-GOSISDBHSA-N 1 1 315.413 3.884 20 30 DHEDMO CC(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000063618794 1040404813 /nfs/dbraw/zinc/40/48/13/1040404813.db2.gz NIOCXRIJEMPDLW-MRXNPFEDSA-N 1 1 319.836 3.661 20 30 DHEDMO C[C@H](C#N)c1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000596637079 1040532335 /nfs/dbraw/zinc/53/23/35/1040532335.db2.gz QGPLHRGSSMRJNQ-MRXNPFEDSA-N 1 1 306.409 3.813 20 30 DHEDMO CCC[N@@H+](Cc1c(C2CC2)cnn1C)Cc1ccc(C#N)cc1 ZINC000596984047 1040618468 /nfs/dbraw/zinc/61/84/68/1040618468.db2.gz OGCPHYVIGORRIK-UHFFFAOYSA-N 1 1 308.429 3.581 20 30 DHEDMO CC(C)(C)[N@H+]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596995455 1040627713 /nfs/dbraw/zinc/62/77/13/1040627713.db2.gz JJMQMTVXQUJEBT-UHFFFAOYSA-N 1 1 311.473 3.548 20 30 DHEDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(C3(C#N)CC3)cc1)C2 ZINC000597128565 1040659091 /nfs/dbraw/zinc/65/90/91/1040659091.db2.gz ZLBKACCXWPMUPR-UHFFFAOYSA-N 1 1 310.441 3.633 20 30 DHEDMO C#CCOc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2OC)cc1 ZINC000174566384 1040661171 /nfs/dbraw/zinc/66/11/71/1040661171.db2.gz ORJIOUUWQXCQHI-AWEZNQCLSA-N 1 1 313.372 3.697 20 30 DHEDMO N#Cc1sccc1N1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000597183014 1040681624 /nfs/dbraw/zinc/68/16/24/1040681624.db2.gz HYGVHJFELFNJSN-UHFFFAOYSA-N 1 1 323.421 3.688 20 30 DHEDMO N#Cc1cccc(NC(=O)C[N@@H+](CC2CC2)C2CCCCC2)c1 ZINC000060563792 1040767160 /nfs/dbraw/zinc/76/71/60/1040767160.db2.gz YHZZAOUBCCYOGZ-UHFFFAOYSA-N 1 1 311.429 3.541 20 30 DHEDMO C=C(C)COc1cccc(NC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC000635482145 1041004790 /nfs/dbraw/zinc/00/47/90/1041004790.db2.gz HAHZBRDFNYUPEX-UHFFFAOYSA-N 1 1 313.401 3.600 20 30 DHEDMO CCC[N@H+](CC(=O)Nc1ccccc1C)C[C@@H](C)CCC#N ZINC000602431035 1041026039 /nfs/dbraw/zinc/02/60/39/1041026039.db2.gz BGAHQSNZYUMLNE-HNNXBMFYSA-N 1 1 301.434 3.585 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000602451823 1041030285 /nfs/dbraw/zinc/03/02/85/1041030285.db2.gz AGNGCERPXYMLSE-YJBOKZPZSA-N 1 1 304.409 3.747 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2cccc(C#N)n2)[C@@H](C)C2CC2)cc1 ZINC000602437755 1041030976 /nfs/dbraw/zinc/03/09/76/1041030976.db2.gz XLJLIVYJVCRONA-HNNXBMFYSA-N 1 1 321.424 3.763 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000602435932 1041032989 /nfs/dbraw/zinc/03/29/89/1041032989.db2.gz MDFOUNVAWSXKEO-GFCCVEGCSA-N 1 1 300.324 3.957 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1cc(Br)ccc1F ZINC000602439981 1041033733 /nfs/dbraw/zinc/03/37/33/1041033733.db2.gz IFHJKINPGGHPAI-LLVKDONJSA-N 1 1 313.214 3.960 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](c1nccn1C)C1CC1 ZINC000602445192 1041035797 /nfs/dbraw/zinc/03/57/97/1041035797.db2.gz RPRNAXPETHGKLH-LJQANCHMSA-N 1 1 322.456 3.901 20 30 DHEDMO Cc1cc(N=NC2C[N@@H+](Cc3ccccc3)C(C)(C)C2)nc(C)n1 ZINC000761262644 1041044349 /nfs/dbraw/zinc/04/43/49/1041044349.db2.gz ZJCLDVJQUOUOPE-UHFFFAOYSA-N 1 1 323.444 3.546 20 30 DHEDMO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602466743 1041047024 /nfs/dbraw/zinc/04/70/24/1041047024.db2.gz WIOBQKSVXKEJQL-SFHVURJKSA-N 1 1 307.397 3.689 20 30 DHEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602466743 1041047035 /nfs/dbraw/zinc/04/70/35/1041047035.db2.gz WIOBQKSVXKEJQL-SFHVURJKSA-N 1 1 307.397 3.689 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)n1 ZINC000602484981 1041053438 /nfs/dbraw/zinc/05/34/38/1041053438.db2.gz LINBJZXBUCZUDY-OAHLLOKOSA-N 1 1 309.438 3.567 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000602481512 1041054246 /nfs/dbraw/zinc/05/42/46/1041054246.db2.gz MGIHSTGAFJAUMF-LBPRGKRZSA-N 1 1 315.244 3.728 20 30 DHEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H](C)CCC#N ZINC000602482997 1041055261 /nfs/dbraw/zinc/05/52/61/1041055261.db2.gz HYIXEZQXHNMQBK-WBVHZDCISA-N 1 1 310.445 3.749 20 30 DHEDMO Cn1ccnc1[C@@H](C1CC1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000602493035 1041060746 /nfs/dbraw/zinc/06/07/46/1041060746.db2.gz IEBKVQGZGOABQA-LJQANCHMSA-N 1 1 318.424 3.532 20 30 DHEDMO Cn1ccnc1[C@@H](C1CC1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000602493035 1041060758 /nfs/dbraw/zinc/06/07/58/1041060758.db2.gz IEBKVQGZGOABQA-LJQANCHMSA-N 1 1 318.424 3.532 20 30 DHEDMO C[C@H](CCC#N)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000602569663 1041099901 /nfs/dbraw/zinc/09/99/01/1041099901.db2.gz RAVAJVCPBLUYLU-XSYGEPLQSA-N 1 1 313.489 3.672 20 30 DHEDMO CCC[N@@H+](C[C@@H](C)CCC#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000602640263 1041126788 /nfs/dbraw/zinc/12/67/88/1041126788.db2.gz LJIUFOLQXVEVBM-RDJZCZTQSA-N 1 1 315.461 3.974 20 30 DHEDMO N#CCC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602643411 1041129155 /nfs/dbraw/zinc/12/91/55/1041129155.db2.gz QOAGSVLPYOQBHB-MJGOQNOKSA-N 1 1 309.457 3.638 20 30 DHEDMO N#CCC1(CN[C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602643411 1041129172 /nfs/dbraw/zinc/12/91/72/1041129172.db2.gz QOAGSVLPYOQBHB-MJGOQNOKSA-N 1 1 309.457 3.638 20 30 DHEDMO N#CCC1(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602643411 1041129179 /nfs/dbraw/zinc/12/91/79/1041129179.db2.gz QOAGSVLPYOQBHB-MJGOQNOKSA-N 1 1 309.457 3.638 20 30 DHEDMO COc1ccc(C[N@@H+](C[C@@H](C)CCC#N)CC2CC2)c(OC)c1 ZINC000602659876 1041145526 /nfs/dbraw/zinc/14/55/26/1041145526.db2.gz YGIDIQFKHJUBTA-HNNXBMFYSA-N 1 1 316.445 3.856 20 30 DHEDMO N#CCC1(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000602759747 1041192592 /nfs/dbraw/zinc/19/25/92/1041192592.db2.gz NOLYJCCKPZRMPR-UHFFFAOYSA-N 1 1 317.864 3.542 20 30 DHEDMO CCOc1cc(C[N@@H+](C)CC2(CC#N)CC2)ccc1OC(F)F ZINC000602762222 1041194755 /nfs/dbraw/zinc/19/47/55/1041194755.db2.gz LKJDKUHUJILBGO-UHFFFAOYSA-N 1 1 324.371 3.812 20 30 DHEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CC4(CC#N)CC4)C3)nc2c1 ZINC000602795582 1041216703 /nfs/dbraw/zinc/21/67/03/1041216703.db2.gz BCSTWLNPECWOTH-OAHLLOKOSA-N 1 1 308.429 3.745 20 30 DHEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](CC4(CC#N)CC4)C3)[nH]c2c1 ZINC000602795582 1041216721 /nfs/dbraw/zinc/21/67/21/1041216721.db2.gz BCSTWLNPECWOTH-OAHLLOKOSA-N 1 1 308.429 3.745 20 30 DHEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](CC4(CC#N)CC4)C3)[nH]c2c1 ZINC000602795582 1041216734 /nfs/dbraw/zinc/21/67/34/1041216734.db2.gz BCSTWLNPECWOTH-OAHLLOKOSA-N 1 1 308.429 3.745 20 30 DHEDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000602793690 1041218520 /nfs/dbraw/zinc/21/85/20/1041218520.db2.gz ZMWMAUYKYQEJEF-KRWDZBQOSA-N 1 1 308.429 3.794 20 30 DHEDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1CC1(CC#N)CC1 ZINC000602793690 1041218534 /nfs/dbraw/zinc/21/85/34/1041218534.db2.gz ZMWMAUYKYQEJEF-KRWDZBQOSA-N 1 1 308.429 3.794 20 30 DHEDMO CC(C)(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)CC1(CC#N)CC1 ZINC000602798831 1041222562 /nfs/dbraw/zinc/22/25/62/1041222562.db2.gz XREYXOPXUDAWQI-UHFFFAOYSA-N 1 1 317.408 3.559 20 30 DHEDMO CC[N@@H+](CCCCC(C)(C)C#N)[C@H]1CCN(CC(F)(F)F)C1 ZINC000602891256 1041296066 /nfs/dbraw/zinc/29/60/66/1041296066.db2.gz GZQRJOHEKIWWNA-AWEZNQCLSA-N 1 1 319.415 3.665 20 30 DHEDMO C[N@@H+](Cc1ccc(Br)cc1F)[C@@H]1CC[C@@H](C#N)C1 ZINC000602926398 1041306189 /nfs/dbraw/zinc/30/61/89/1041306189.db2.gz PLQLHRJFYRFWKJ-ZWNOBZJWSA-N 1 1 311.198 3.712 20 30 DHEDMO N#CCSCCC[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000602929344 1041309006 /nfs/dbraw/zinc/30/90/06/1041309006.db2.gz XPZFHDGFVRHZQF-UHFFFAOYSA-N 1 1 314.376 3.710 20 30 DHEDMO Cc1cc(Br)c2c(c1)CC[N@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000602928474 1041309916 /nfs/dbraw/zinc/30/99/16/1041309916.db2.gz NYQJHFIIMLABOL-TZMCWYRMSA-N 1 1 319.246 3.808 20 30 DHEDMO Cc1cc(Br)c2c(c1)CC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000602928474 1041309939 /nfs/dbraw/zinc/30/99/39/1041309939.db2.gz NYQJHFIIMLABOL-TZMCWYRMSA-N 1 1 319.246 3.808 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000598586380 1041347069 /nfs/dbraw/zinc/34/70/69/1041347069.db2.gz SKBSDGQLSUUQLV-ROUUACIJSA-N 1 1 300.446 3.904 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000598586206 1041348270 /nfs/dbraw/zinc/34/82/70/1041348270.db2.gz QGABJMOVEINLAD-CZUORRHYSA-N 1 1 306.837 3.778 20 30 DHEDMO Cc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598592522 1041351238 /nfs/dbraw/zinc/35/12/38/1041351238.db2.gz LMYUXNOIXKOJGO-HZPDHXFCSA-N 1 1 304.434 3.806 20 30 DHEDMO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)CC(C)(C)C#N ZINC000598589454 1041351378 /nfs/dbraw/zinc/35/13/78/1041351378.db2.gz OCBSHSDJYXVPSX-GFCCVEGCSA-N 1 1 315.244 3.726 20 30 DHEDMO Cc1ccc([C@H]2CCCC[N@H+]2C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598592498 1041352189 /nfs/dbraw/zinc/35/21/89/1041352189.db2.gz LACRDHXCGATHIQ-QZTJIDSGSA-N 1 1 300.446 3.823 20 30 DHEDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598595819 1041354369 /nfs/dbraw/zinc/35/43/69/1041354369.db2.gz WIXOZRWMBLMUQB-QWHCGFSZSA-N 1 1 317.458 3.590 20 30 DHEDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598617631 1041361025 /nfs/dbraw/zinc/36/10/25/1041361025.db2.gz UJQHKOMWUSYUHE-NJAFHUGGSA-N 1 1 300.446 3.760 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+](CC)CCc2nccs2)cc1 ZINC000093764597 335004984 /nfs/dbraw/zinc/00/49/84/335004984.db2.gz AUXDHXKTOSVICE-UHFFFAOYSA-N 1 1 314.454 3.610 20 30 DHEDMO Cn1c(C[NH+]2CCC(CCC#N)CC2)nc2cc(Cl)ccc21 ZINC000574986162 335011324 /nfs/dbraw/zinc/01/13/24/335011324.db2.gz XRHRCJITYCQRDQ-UHFFFAOYSA-N 1 1 316.836 3.742 20 30 DHEDMO C=CCCC[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000286733029 335039293 /nfs/dbraw/zinc/03/92/93/335039293.db2.gz BSHZAVAKDJAORH-NSHDSACASA-N 1 1 303.328 3.668 20 30 DHEDMO C=C(C)CC[N@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000287406178 335045950 /nfs/dbraw/zinc/04/59/50/335045950.db2.gz OGVVTILEFSXGQM-NSHDSACASA-N 1 1 303.328 3.668 20 30 DHEDMO CC(=O)Nc1ccn([C@H]2CC[N@H+]([C@@H](C)c3ccccc3F)C2)n1 ZINC000328630662 257263480 /nfs/dbraw/zinc/26/34/80/257263480.db2.gz QCQUYRDEMOXGAN-JSGCOSHPSA-N 1 1 316.380 3.638 20 30 DHEDMO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1nc2ccccc2n1C ZINC000272311822 130018973 /nfs/dbraw/zinc/01/89/73/130018973.db2.gz TZCTYEQWAWPYLN-AWEZNQCLSA-N 1 1 316.408 3.785 20 30 DHEDMO C[C@]12CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]1C2(Cl)Cl ZINC000284879436 131118348 /nfs/dbraw/zinc/11/83/48/131118348.db2.gz SXMMANCFCPWMTJ-KGLIPLIRSA-N 1 1 313.203 3.713 20 30 DHEDMO C[C@]12CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]1C2(Cl)Cl ZINC000284879436 131118349 /nfs/dbraw/zinc/11/83/49/131118349.db2.gz SXMMANCFCPWMTJ-KGLIPLIRSA-N 1 1 313.203 3.713 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2c(F)cccc2N2CCCC2)s1 ZINC000285672786 131191904 /nfs/dbraw/zinc/19/19/04/131191904.db2.gz UIYYMNWWHWCLSL-UHFFFAOYSA-N 1 1 315.417 3.649 20 30 DHEDMO CC1(C)C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000287122854 131265583 /nfs/dbraw/zinc/26/55/83/131265583.db2.gz ZINMNTMZYFYULJ-NVXWUHKLSA-N 1 1 312.438 3.736 20 30 DHEDMO COc1cc(C[N@H+](C)Cc2ccccc2C#N)ccc1SC ZINC000299347353 132100450 /nfs/dbraw/zinc/10/04/50/132100450.db2.gz XEIIJHLQYHIUKG-UHFFFAOYSA-N 1 1 312.438 3.921 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2ccccc2C#N)ccc1SC ZINC000299347353 132100452 /nfs/dbraw/zinc/10/04/52/132100452.db2.gz XEIIJHLQYHIUKG-UHFFFAOYSA-N 1 1 312.438 3.921 20 30 DHEDMO Cc1[nH+]ccn1CCCN(C)c1ccc(C#N)cc1C(F)(F)F ZINC000120229181 132143369 /nfs/dbraw/zinc/14/33/69/132143369.db2.gz CTESWTFXCYSOFF-UHFFFAOYSA-N 1 1 322.334 3.609 20 30 DHEDMO C=CCCCCCCCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000290795299 335075527 /nfs/dbraw/zinc/07/55/27/335075527.db2.gz DWSDFMDJXIMCRG-KRWDZBQOSA-N 1 1 317.477 3.787 20 30 DHEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000292181017 335086126 /nfs/dbraw/zinc/08/61/26/335086126.db2.gz HDTQUZVMSCEOMB-HNNXBMFYSA-N 1 1 320.502 3.679 20 30 DHEDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc(C(F)(F)F)c(C#N)n1 ZINC000514763801 429369706 /nfs/dbraw/zinc/36/97/06/429369706.db2.gz QVLYQDMWCBIOJK-NSHDSACASA-N 1 1 314.355 3.504 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000425556221 335087726 /nfs/dbraw/zinc/08/77/26/335087726.db2.gz SJJYSGJGVFORQN-LJQANCHMSA-N 1 1 310.441 3.534 20 30 DHEDMO N#Cc1cc(NC[C@H]2CC[N@H+]2C2CCCC2)nc2ccccc12 ZINC000528210409 429862001 /nfs/dbraw/zinc/86/20/01/429862001.db2.gz PDYPMJYYKXFGHB-MRXNPFEDSA-N 1 1 306.413 3.535 20 30 DHEDMO Cc1c(Cl)cnc(NCCCC[N@@H+]2CCCC[C@H]2C)c1C#N ZINC000544065673 435647971 /nfs/dbraw/zinc/64/79/71/435647971.db2.gz UBKXLNZFARYTTH-CYBMUJFWSA-N 1 1 320.868 3.982 20 30 DHEDMO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccccc1Cl ZINC000025396077 331593070 /nfs/dbraw/zinc/59/30/70/331593070.db2.gz CGPYCAMOJYEFPO-LBPRGKRZSA-N 1 1 313.788 3.501 20 30 DHEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC(C)(C)C ZINC000092217599 332122303 /nfs/dbraw/zinc/12/23/03/332122303.db2.gz DALZEZLDYKMVBN-UHFFFAOYSA-N 1 1 310.445 3.942 20 30 DHEDMO CCC1(C)CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000427007971 332164492 /nfs/dbraw/zinc/16/44/92/332164492.db2.gz KXGVZFBSTDNAGN-UHFFFAOYSA-N 1 1 319.474 3.687 20 30 DHEDMO C=CCC[C@H](C(=O)NCC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC000427101575 332167522 /nfs/dbraw/zinc/16/75/22/332167522.db2.gz PNZKMYUETKGGFB-WMZOPIPTSA-N 1 1 302.462 3.583 20 30 DHEDMO C=CCC[C@@H](C(=O)N1CCC[N@H+](C(C)C)CC1)c1ccccc1 ZINC000427130702 332168447 /nfs/dbraw/zinc/16/84/47/332168447.db2.gz KYUVEIKCMSVIJX-LJQANCHMSA-N 1 1 314.473 3.679 20 30 DHEDMO COc1cc(C[N@@H+](CCCC(C)(C)C#N)C2CC2)ccc1O ZINC000119617123 332257917 /nfs/dbraw/zinc/25/79/17/332257917.db2.gz ZPLDPCUYEQVZHU-UHFFFAOYSA-N 1 1 302.418 3.695 20 30 DHEDMO COc1ccc(OCC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000559432417 332258537 /nfs/dbraw/zinc/25/85/37/332258537.db2.gz SECLWSYDYNJAKR-UHFFFAOYSA-N 1 1 324.424 3.856 20 30 DHEDMO C#CCOc1ccc(C[NH2+][C@](C)(CC)c2nccs2)cc1 ZINC000152604314 332313473 /nfs/dbraw/zinc/31/34/73/332313473.db2.gz SVPIPJFYHQBDID-QGZVFWFLSA-N 1 1 300.427 3.570 20 30 DHEDMO C=CCCCC[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000560218077 332320077 /nfs/dbraw/zinc/32/00/77/332320077.db2.gz DRNROAOKMIECGL-GOSISDBHSA-N 1 1 301.409 3.937 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cn(C)nc1-c1ccncc1 ZINC000119943464 332326827 /nfs/dbraw/zinc/32/68/27/332326827.db2.gz ZOVOBJTWBMHORG-UHFFFAOYSA-N 1 1 324.453 3.732 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H]2CCCc3nc(CC)sc32)CC1 ZINC000152996298 332332706 /nfs/dbraw/zinc/33/27/06/332332706.db2.gz YCTITYXATZNCKS-HNNXBMFYSA-N 1 1 319.518 3.713 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](CC)c2ccccc2OC)CC1 ZINC000153035532 332342456 /nfs/dbraw/zinc/34/24/56/332342456.db2.gz LDULKYZRYBSVMV-SFHVURJKSA-N 1 1 302.462 3.776 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](OC)c1ccccc1 ZINC000560984534 332399392 /nfs/dbraw/zinc/39/93/92/332399392.db2.gz XPOZQMGORFEALA-FQEVSTJZSA-N 1 1 306.409 3.934 20 30 DHEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1-n1cccn1 ZINC000428311643 332452886 /nfs/dbraw/zinc/45/28/86/332452886.db2.gz CHWFWKGYWZSAOB-AWEZNQCLSA-N 1 1 320.371 3.734 20 30 DHEDMO C=CCNC(=O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000180032292 333026505 /nfs/dbraw/zinc/02/65/05/333026505.db2.gz BJAMKBMUSLTYGI-QMMMGPOBSA-N 1 1 321.635 3.600 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)CC(C)(C)CCC#N ZINC000179576189 333152899 /nfs/dbraw/zinc/15/28/99/333152899.db2.gz UPPYWJAHLIJWSU-UHFFFAOYSA-N 1 1 323.387 3.555 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCc3sccc3C2)cc1 ZINC000179887897 333156222 /nfs/dbraw/zinc/15/62/22/333156222.db2.gz RHCLNLXYMFUKGI-UHFFFAOYSA-N 1 1 311.454 3.656 20 30 DHEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(-c2cccnc2)cc1 ZINC000181279372 333168643 /nfs/dbraw/zinc/16/86/43/333168643.db2.gz OSSUQTDUFTUJTC-CVEARBPZSA-N 1 1 304.397 3.843 20 30 DHEDMO Cc1cc([NH2+]CC(C)(C)CCC#N)ccc1N1CCOCC1 ZINC000181577828 333170484 /nfs/dbraw/zinc/17/04/84/333170484.db2.gz FGVWWDXLBSIBMQ-UHFFFAOYSA-N 1 1 301.434 3.574 20 30 DHEDMO COC[C@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1ccc(C)o1 ZINC000181847899 333172863 /nfs/dbraw/zinc/17/28/63/333172863.db2.gz OUOOWISXMSBDOG-PBHICJAKSA-N 1 1 314.385 3.529 20 30 DHEDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000182066072 333175361 /nfs/dbraw/zinc/17/53/61/333175361.db2.gz LHSIMIMWXWRYRQ-INIZCTEOSA-N 1 1 308.429 3.624 20 30 DHEDMO C[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2C#N)C[N@H+]1C1CC1 ZINC000387908911 333184808 /nfs/dbraw/zinc/18/48/08/333184808.db2.gz RLRKKHNDJMCFFY-MFKMUULPSA-N 1 1 309.335 3.614 20 30 DHEDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000183714250 333187210 /nfs/dbraw/zinc/18/72/10/333187210.db2.gz NMDCCQKRQWFSOZ-INIZCTEOSA-N 1 1 308.429 3.624 20 30 DHEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1nccc(C#N)c1Cl ZINC000309714773 333191431 /nfs/dbraw/zinc/19/14/31/333191431.db2.gz KKEGAJWHAOBIMX-CYBMUJFWSA-N 1 1 314.820 3.539 20 30 DHEDMO N#C[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000185827030 333214789 /nfs/dbraw/zinc/21/47/89/333214789.db2.gz GGMIWYUZHYEQEB-SPYJTGKRSA-N 1 1 323.484 3.854 20 30 DHEDMO CN(c1ccc(C#N)cc1F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388176963 333217058 /nfs/dbraw/zinc/21/70/58/333217058.db2.gz LUVMKJXBSAWDTH-GOSISDBHSA-N 1 1 323.415 3.798 20 30 DHEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000497255275 333227864 /nfs/dbraw/zinc/22/78/64/333227864.db2.gz WZJXTOVCSBINNJ-BZUAXINKSA-N 1 1 323.481 3.504 20 30 DHEDMO N#CCCCC[N@H+]1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000364054245 333228109 /nfs/dbraw/zinc/22/81/09/333228109.db2.gz IMQKNHGEDNEGIS-VQTJNVASSA-N 1 1 311.473 3.809 20 30 DHEDMO N#CCCCCN1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000364054245 333228110 /nfs/dbraw/zinc/22/81/10/333228110.db2.gz IMQKNHGEDNEGIS-VQTJNVASSA-N 1 1 311.473 3.809 20 30 DHEDMO N#CCCCCN1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000364054245 333228111 /nfs/dbraw/zinc/22/81/11/333228111.db2.gz IMQKNHGEDNEGIS-VQTJNVASSA-N 1 1 311.473 3.809 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000187431074 333232535 /nfs/dbraw/zinc/23/25/35/333232535.db2.gz YCFFHERCJBKGSK-SFHVURJKSA-N 1 1 314.816 3.815 20 30 DHEDMO C=CC(C)(C)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294865963 335128687 /nfs/dbraw/zinc/12/86/87/335128687.db2.gz GREYZNLNUWBUJP-SFHVURJKSA-N 1 1 314.473 3.569 20 30 DHEDMO CC(C)[C@H](CC[N@@H+](C)[C@H]1CC[C@H](C#N)C1)NC(=O)OC(C)(C)C ZINC000497309543 333234789 /nfs/dbraw/zinc/23/47/89/333234789.db2.gz AVAYMUCJQXQUCO-JYJNAYRXSA-N 1 1 323.481 3.550 20 30 DHEDMO C=CCC(C)(C)C(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000497432137 333250557 /nfs/dbraw/zinc/25/05/57/333250557.db2.gz FABTWUSLFGVQEW-UHFFFAOYSA-N 1 1 320.521 3.949 20 30 DHEDMO CC[C@](C)(O)C[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000189718856 333261588 /nfs/dbraw/zinc/26/15/88/333261588.db2.gz HLOXLOUBVJRRAV-IBGZPJMESA-N 1 1 302.462 3.980 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000497619233 333270484 /nfs/dbraw/zinc/27/04/84/333270484.db2.gz JGRQWCPCDLWTIU-SFHVURJKSA-N 1 1 310.372 3.913 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)cc1C#N ZINC000319193392 333271471 /nfs/dbraw/zinc/27/14/71/333271471.db2.gz PINZVZMOEDSVLD-CQSZACIVSA-N 1 1 312.335 3.730 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1C(=O)N(C)C)CC1CCCCC1 ZINC000417777111 335142038 /nfs/dbraw/zinc/14/20/38/335142038.db2.gz QVOKHYGXYQBBGX-UHFFFAOYSA-N 1 1 314.473 3.957 20 30 DHEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(F)c(Br)c1 ZINC000339460719 333526244 /nfs/dbraw/zinc/52/62/44/333526244.db2.gz BECNHUYRBVVSCP-WDEREUQCSA-N 1 1 324.197 3.682 20 30 DHEDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C#N)cc1OC ZINC000339494212 333526624 /nfs/dbraw/zinc/52/66/24/333526624.db2.gz KFJAENYBGGDBBL-AWEZNQCLSA-N 1 1 310.397 3.816 20 30 DHEDMO C=C(C)[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(F)c(F)c1 ZINC000297318375 335152897 /nfs/dbraw/zinc/15/28/97/335152897.db2.gz CDNKJYYZKWGPNG-GOSISDBHSA-N 1 1 306.400 3.798 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C)CC[C@H]2CCCO2)ccc1OC ZINC000343477602 335168468 /nfs/dbraw/zinc/16/84/68/335168468.db2.gz WPUSUZUKELHASP-QGZVFWFLSA-N 1 1 319.445 3.651 20 30 DHEDMO CCC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)CC1CC1 ZINC000269376905 334000877 /nfs/dbraw/zinc/00/08/77/334000877.db2.gz VYQYNDXOQGVPNR-UHFFFAOYSA-N 1 1 316.445 4.000 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CC2(CCOCC2)[C@H]1C(C)C ZINC000414527967 334008576 /nfs/dbraw/zinc/00/85/76/334008576.db2.gz NMKIZJODINBNMM-LJQANCHMSA-N 1 1 315.457 3.888 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC000414527966 334008582 /nfs/dbraw/zinc/00/85/82/334008582.db2.gz NMKIZJODINBNMM-IBGZPJMESA-N 1 1 315.457 3.888 20 30 DHEDMO N#CCC[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)CC1CC1 ZINC000270328478 334011426 /nfs/dbraw/zinc/01/14/26/334011426.db2.gz KWCBKYKRLQYFHE-OAHLLOKOSA-N 1 1 313.228 3.652 20 30 DHEDMO N#CCC[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)CC1CC1 ZINC000270328478 334011427 /nfs/dbraw/zinc/01/14/27/334011427.db2.gz KWCBKYKRLQYFHE-OAHLLOKOSA-N 1 1 313.228 3.652 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000271205251 334020078 /nfs/dbraw/zinc/02/00/78/334020078.db2.gz RIUKSTOEFZKPBJ-UHFFFAOYSA-N 1 1 323.362 3.731 20 30 DHEDMO COc1ccc(OCC[N@@H+](C)CCCCC(C)(C)C#N)cc1 ZINC000278148582 334093121 /nfs/dbraw/zinc/09/31/21/334093121.db2.gz OEBNOFNTHIVDDS-UHFFFAOYSA-N 1 1 304.434 3.726 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC(C)(C)C#N)cc2)C1 ZINC000278173733 334093364 /nfs/dbraw/zinc/09/33/64/334093364.db2.gz BNWUOAVKBROFLC-OAHLLOKOSA-N 1 1 313.445 3.797 20 30 DHEDMO C[N@@H+](CCc1ccc(Br)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000278683502 334099651 /nfs/dbraw/zinc/09/96/51/334099651.db2.gz RWCDOCTVTDDZTB-DZGCQCFKSA-N 1 1 307.235 3.616 20 30 DHEDMO N#CC1(CCC[N@H+](Cc2cccc(F)c2)C2CC2)CCOCC1 ZINC000281134891 334123219 /nfs/dbraw/zinc/12/32/19/334123219.db2.gz ABIXETWIGBJMEU-UHFFFAOYSA-N 1 1 316.420 3.891 20 30 DHEDMO N#CC1(CCC[N@H+]2CCC[C@@H]2Cc2ccccc2)CCOCC1 ZINC000281638722 334127647 /nfs/dbraw/zinc/12/76/47/334127647.db2.gz BYKDZIKXNYHGJV-LJQANCHMSA-N 1 1 312.457 3.794 20 30 DHEDMO N#CC1(CCC[N@H+](Cc2ccc(F)cc2)C2CC2)CCOCC1 ZINC000281871240 334129214 /nfs/dbraw/zinc/12/92/14/334129214.db2.gz CGBCYAGOOFMTPM-UHFFFAOYSA-N 1 1 316.420 3.891 20 30 DHEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000282021874 334130529 /nfs/dbraw/zinc/13/05/29/334130529.db2.gz PFQGMMRXJWOQDR-MJGOQNOKSA-N 1 1 312.457 3.965 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000289002500 334162967 /nfs/dbraw/zinc/16/29/67/334162967.db2.gz MPWPMYXCHBLOBN-UHFFFAOYSA-N 1 1 300.402 3.580 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000292773423 334192209 /nfs/dbraw/zinc/19/22/09/334192209.db2.gz KSIOCELCONXOKA-DLBZAZTESA-N 1 1 319.399 3.514 20 30 DHEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)c1cc2ccccc2o1 ZINC000293019636 334195204 /nfs/dbraw/zinc/19/52/04/334195204.db2.gz IEFPMYPWKOVFCS-OAHLLOKOSA-N 1 1 300.402 3.728 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)c1cc2ccccc2o1 ZINC000293019636 334195206 /nfs/dbraw/zinc/19/52/06/334195206.db2.gz IEFPMYPWKOVFCS-OAHLLOKOSA-N 1 1 300.402 3.728 20 30 DHEDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCOCCC#N ZINC000293548252 334198996 /nfs/dbraw/zinc/19/89/96/334198996.db2.gz RABCKTMBPKPMOC-LBPRGKRZSA-N 1 1 300.324 3.628 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+](CCOCCC#N)Cc1ccccc1O ZINC000293748327 334201979 /nfs/dbraw/zinc/20/19/79/334201979.db2.gz IKTALDSWPAXUFP-QGZVFWFLSA-N 1 1 324.424 3.886 20 30 DHEDMO Cc1c(Cl)cccc1N1CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000294026699 334204833 /nfs/dbraw/zinc/20/48/33/334204833.db2.gz HSVSYGHJXNKBCQ-JKSUJKDBSA-N 1 1 317.864 3.853 20 30 DHEDMO CC(C)N1CC[C@H]([NH2+]CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000298639928 334250414 /nfs/dbraw/zinc/25/04/14/334250414.db2.gz WRABNDCHZJATCM-HOTGVXAUSA-N 1 1 309.816 3.506 20 30 DHEDMO Cc1cc[nH+]c(NCc2cccn2Cc2ccccc2C#N)c1 ZINC000187692765 334268175 /nfs/dbraw/zinc/26/81/75/334268175.db2.gz VSFJTMKLWYSODC-UHFFFAOYSA-N 1 1 302.381 3.724 20 30 DHEDMO CC(C)[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccccn1 ZINC000531911840 334286731 /nfs/dbraw/zinc/28/67/31/334286731.db2.gz UYMINBIANUZYGT-UHFFFAOYSA-N 1 1 309.413 3.633 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000303832125 334333461 /nfs/dbraw/zinc/33/34/61/334333461.db2.gz LSLDGFZYEFPLJE-KRWDZBQOSA-N 1 1 314.429 3.600 20 30 DHEDMO N#Cc1cccc(C[NH+]2CCC(OCC3CCCC3)CC2)c1F ZINC000340880610 334392828 /nfs/dbraw/zinc/39/28/28/334392828.db2.gz CGICTBXCMGPUNB-UHFFFAOYSA-N 1 1 316.420 3.869 20 30 DHEDMO COc1ccc2c(c1OC)CC[N@H+]([C@H](C)c1ccc(C#N)cc1)C2 ZINC000340989252 334398160 /nfs/dbraw/zinc/39/81/60/334398160.db2.gz DGAFYNVBSMGDGH-CQSZACIVSA-N 1 1 322.408 3.695 20 30 DHEDMO COc1ccc2c(c1OC)CC[N@@H+]([C@H](C)c1ccc(C#N)cc1)C2 ZINC000340989252 334398161 /nfs/dbraw/zinc/39/81/61/334398161.db2.gz DGAFYNVBSMGDGH-CQSZACIVSA-N 1 1 322.408 3.695 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc(F)c(F)c1 ZINC000425431247 334907175 /nfs/dbraw/zinc/90/71/75/334907175.db2.gz HPSDDGCPMHDOCN-JKSUJKDBSA-N 1 1 322.399 3.571 20 30 DHEDMO COc1ncc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1Cl ZINC000344371267 335245402 /nfs/dbraw/zinc/24/54/02/335245402.db2.gz FQFZDECVLNDBQZ-SNVBAGLBSA-N 1 1 319.767 3.605 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ccc(F)cc2C#N)C1 ZINC000344582421 335259893 /nfs/dbraw/zinc/25/98/93/335259893.db2.gz MIYMJBARGCSBPB-ZRGWGRIASA-N 1 1 315.436 3.535 20 30 DHEDMO N#CCC[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccccc1 ZINC000344826697 335278463 /nfs/dbraw/zinc/27/84/63/335278463.db2.gz MYAOCKRAHPMYHI-OAHLLOKOSA-N 1 1 322.334 3.580 20 30 DHEDMO CC(C)Oc1cc(C[N@@H+](CCC(C)(C)C#N)C2CC2)ccn1 ZINC000345708506 335349300 /nfs/dbraw/zinc/34/93/00/335349300.db2.gz BGHGQRQAZDXEAK-UHFFFAOYSA-N 1 1 301.434 3.773 20 30 DHEDMO C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccc(C#N)c(F)c1 ZINC000346182959 335378683 /nfs/dbraw/zinc/37/86/83/335378683.db2.gz MFWXRQHYTWJEBK-ZDUSSCGKSA-N 1 1 312.392 3.860 20 30 DHEDMO N#Cc1ccc(N2CC[NH+](Cc3cccs3)CC2)c(Cl)c1 ZINC000444773004 338487722 /nfs/dbraw/zinc/48/77/22/338487722.db2.gz PQGQKTRYIQBUFH-UHFFFAOYSA-N 1 1 317.845 3.595 20 30 DHEDMO C[C@H]([N@@H+](C)Cc1ccc(C#N)cc1Br)C1(C)CC1 ZINC000350985494 336002133 /nfs/dbraw/zinc/00/21/33/336002133.db2.gz CNLADMLZIPTEKH-NSHDSACASA-N 1 1 307.235 3.941 20 30 DHEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(C)ccc1F ZINC000351588234 336047549 /nfs/dbraw/zinc/04/75/49/336047549.db2.gz FZHMQZRFVAIUPL-UHFFFAOYSA-N 1 1 312.388 3.654 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C)ccc1F ZINC000351588234 336047551 /nfs/dbraw/zinc/04/75/51/336047551.db2.gz FZHMQZRFVAIUPL-UHFFFAOYSA-N 1 1 312.388 3.654 20 30 DHEDMO C=C(C)CCc1noc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000351620319 336051419 /nfs/dbraw/zinc/05/14/19/336051419.db2.gz OTRUJVFDIHXMOY-KRWDZBQOSA-N 1 1 311.429 3.958 20 30 DHEDMO Cc1cnc(-c2cccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)c2)o1 ZINC000330220545 336126106 /nfs/dbraw/zinc/12/61/06/336126106.db2.gz KWLMVXZFSZTYLE-MRXNPFEDSA-N 1 1 311.385 3.865 20 30 DHEDMO O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000330299256 336137856 /nfs/dbraw/zinc/13/78/56/336137856.db2.gz MEXZJAUHIUZSCE-OAHLLOKOSA-N 1 1 316.401 3.800 20 30 DHEDMO Cn1c2ccc(F)cc2nc1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000330307960 336146341 /nfs/dbraw/zinc/14/63/41/336146341.db2.gz SMLXHADVHDVMAD-ZDUSSCGKSA-N 1 1 318.396 3.565 20 30 DHEDMO NC(=O)C1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCCC1 ZINC000330316290 336152991 /nfs/dbraw/zinc/15/29/91/336152991.db2.gz ZFSYTNKZJQSBKJ-HNNXBMFYSA-N 1 1 321.465 3.836 20 30 DHEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2Cl)[C@H]1[C@H]1CCCO1 ZINC000351981600 336185913 /nfs/dbraw/zinc/18/59/13/336185913.db2.gz KJAKZVOZQLCUII-CVEARBPZSA-N 1 1 304.821 3.601 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2Cl)[C@H]1[C@H]1CCCO1 ZINC000351981600 336185914 /nfs/dbraw/zinc/18/59/14/336185914.db2.gz KJAKZVOZQLCUII-CVEARBPZSA-N 1 1 304.821 3.601 20 30 DHEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Oc2cccnc2)cc1 ZINC000352266417 336208455 /nfs/dbraw/zinc/20/84/55/336208455.db2.gz WHFCUZWDQZCPCJ-CVEARBPZSA-N 1 1 320.396 3.968 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2noc(C)c2C(=O)OCC)CCCC1(C)C ZINC000352367619 336214526 /nfs/dbraw/zinc/21/45/26/336214526.db2.gz AKKYITGXLKCHPI-HNNXBMFYSA-N 1 1 320.433 3.726 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2noc(C)c2C(=O)OCC)CCCC1(C)C ZINC000352367619 336214527 /nfs/dbraw/zinc/21/45/27/336214527.db2.gz AKKYITGXLKCHPI-HNNXBMFYSA-N 1 1 320.433 3.726 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(OC)ccc1OC ZINC000352700932 336231204 /nfs/dbraw/zinc/23/12/04/336231204.db2.gz CIGXFXMBIQWVIB-UHFFFAOYSA-N 1 1 301.386 3.528 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(C#N)c1 ZINC000064350163 336237651 /nfs/dbraw/zinc/23/76/51/336237651.db2.gz HFQNVTVOZWCAIM-UHFFFAOYSA-N 1 1 309.369 3.877 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1C#N ZINC000103140666 336239486 /nfs/dbraw/zinc/23/94/86/336239486.db2.gz KOVUQDQVZATTMT-UHFFFAOYSA-N 1 1 307.372 3.981 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1C#N ZINC000103140666 336239487 /nfs/dbraw/zinc/23/94/87/336239487.db2.gz KOVUQDQVZATTMT-UHFFFAOYSA-N 1 1 307.372 3.981 20 30 DHEDMO N#Cc1csc(C[NH2+]C2(c3ccc(F)cc3)CCCC2)n1 ZINC000352824518 336258782 /nfs/dbraw/zinc/25/87/82/336258782.db2.gz RCQRERBYZQWUCB-UHFFFAOYSA-N 1 1 301.390 3.713 20 30 DHEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(-c2ccncc2)cc1 ZINC000352826630 336263808 /nfs/dbraw/zinc/26/38/08/336263808.db2.gz VZYGFJOGEHNXKY-ZDUSSCGKSA-N 1 1 320.421 3.928 20 30 DHEDMO CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352830243 336268017 /nfs/dbraw/zinc/26/80/17/336268017.db2.gz CLPQXFYBPQSIKE-ZUZCIYMTSA-N 1 1 321.833 3.534 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@H]2CCc3ccccc3C2)cc1C#N ZINC000532746258 336269369 /nfs/dbraw/zinc/26/93/69/336269369.db2.gz WEZPYDOOYWVKPO-IBGZPJMESA-N 1 1 306.409 3.556 20 30 DHEDMO N#Cc1cc(F)ccc1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192957414 336285909 /nfs/dbraw/zinc/28/59/09/336285909.db2.gz FFFFAZYPCLZELI-INIZCTEOSA-N 1 1 309.388 3.631 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cccc(C#N)n1 ZINC000301256264 336297139 /nfs/dbraw/zinc/29/71/39/336297139.db2.gz DHGPYKJLIXIQGW-INIZCTEOSA-N 1 1 320.440 3.940 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2ccc(C#N)nc2)cc1 ZINC000301540229 336313492 /nfs/dbraw/zinc/31/34/92/336313492.db2.gz VDQVFNQIVSSZGA-MRXNPFEDSA-N 1 1 320.440 3.940 20 30 DHEDMO N#Cc1cccc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c1F ZINC000352885739 336330940 /nfs/dbraw/zinc/33/09/40/336330940.db2.gz DCKSVLVAIIHAMG-QGZVFWFLSA-N 1 1 302.393 3.621 20 30 DHEDMO CCC[N@H+]1CC[C@H](CNc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000301983578 336341330 /nfs/dbraw/zinc/34/13/30/336341330.db2.gz KDOXURRYUKBDKH-CYBMUJFWSA-N 1 1 311.351 3.721 20 30 DHEDMO CC(=O)c1ccc(C#N)cc1NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000302095403 336348234 /nfs/dbraw/zinc/34/82/34/336348234.db2.gz IUZSKZBAWQOFJK-HNNXBMFYSA-N 1 1 313.445 3.827 20 30 DHEDMO Cc1cc(F)cc2c1ncc(C#N)c2NCC[N@@H+]1CC=C(C)CC1 ZINC000302155067 336351177 /nfs/dbraw/zinc/35/11/77/336351177.db2.gz NBGCXAPHINJSJA-UHFFFAOYSA-N 1 1 324.403 3.618 20 30 DHEDMO CCC[N@H+]1CC[C@H](CNc2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000302188188 336353057 /nfs/dbraw/zinc/35/30/57/336353057.db2.gz WZZNSHAHQREYTI-GFCCVEGCSA-N 1 1 311.351 3.721 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2c(C#N)cccc2C#N)C1 ZINC000302821985 336370505 /nfs/dbraw/zinc/37/05/05/336370505.db2.gz DSOPZECVFLZHNW-IYBDPMFKSA-N 1 1 310.445 3.600 20 30 DHEDMO C[N@H+]1CC[C@@H](Nc2c(F)cc(C#N)cc2F)[C@@H]1c1ccccc1 ZINC000302830253 336371194 /nfs/dbraw/zinc/37/11/94/336371194.db2.gz PWBCVWWUHQTRHH-AEFFLSMTSA-N 1 1 313.351 3.694 20 30 DHEDMO C[N@@H+](CCSc1cccc(F)c1C#N)Cc1ccccc1 ZINC000302867465 336372540 /nfs/dbraw/zinc/37/25/40/336372540.db2.gz WIYJNPDSTUKYQT-UHFFFAOYSA-N 1 1 300.402 3.921 20 30 DHEDMO COc1cc(C[NH2+]Cc2c(F)cccc2SC)ccc1C#N ZINC000352926147 336377709 /nfs/dbraw/zinc/37/77/09/336377709.db2.gz UBTBJGWTPZTFGD-UHFFFAOYSA-N 1 1 316.401 3.718 20 30 DHEDMO C=CCCCC[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000514581168 336383064 /nfs/dbraw/zinc/38/30/64/336383064.db2.gz WHOSQYGVAYQREE-UHFFFAOYSA-N 1 1 300.446 3.579 20 30 DHEDMO C#CCCOc1ccc(C[NH2+]C(C)(C)c2nccs2)cc1 ZINC000116380425 336402258 /nfs/dbraw/zinc/40/22/58/336402258.db2.gz BCVNJVZCIYUPHJ-UHFFFAOYSA-N 1 1 300.427 3.570 20 30 DHEDMO Cc1csc(C2([NH2+][C@H]3CCc4ccc(C#N)cc43)CCC2)n1 ZINC000353679677 336434369 /nfs/dbraw/zinc/43/43/69/336434369.db2.gz RROCTIGDTRSTHL-INIZCTEOSA-N 1 1 309.438 3.980 20 30 DHEDMO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000367258081 336580487 /nfs/dbraw/zinc/58/04/87/336580487.db2.gz BAZRTVUWNVTOMN-UHFFFAOYSA-N 1 1 311.816 3.792 20 30 DHEDMO COCC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccco1 ZINC000358433372 336629845 /nfs/dbraw/zinc/62/98/45/336629845.db2.gz MJEQQFHDEOSWAD-BLLLJJGKSA-N 1 1 302.349 3.719 20 30 DHEDMO C[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1cccc(C#N)c1 ZINC000358499388 336632692 /nfs/dbraw/zinc/63/26/92/336632692.db2.gz NXNXGNZBHVTFAY-HNNXBMFYSA-N 1 1 302.381 3.595 20 30 DHEDMO CCc1noc(CC)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358560953 336634579 /nfs/dbraw/zinc/63/45/79/336634579.db2.gz QVRPFDRVCOAEJX-NSHDSACASA-N 1 1 301.365 3.661 20 30 DHEDMO Cc1[nH+]cn(-c2ccc(NC(=O)c3cc(C#N)oc3C)cc2)c1C ZINC000360932943 336728159 /nfs/dbraw/zinc/72/81/59/336728159.db2.gz YQVMVEPSTLAULK-UHFFFAOYSA-N 1 1 320.352 3.515 20 30 DHEDMO N#CC1(C[NH2+]Cc2cc(Br)c(Cl)s2)CCC1 ZINC000418140184 336896307 /nfs/dbraw/zinc/89/63/07/336896307.db2.gz IQAZFQPJSHRZAW-UHFFFAOYSA-N 1 1 319.655 3.947 20 30 DHEDMO CC(C)c1[nH+]ccn1[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000373086005 336948132 /nfs/dbraw/zinc/94/81/32/336948132.db2.gz AVHWDAJAVJXRKY-HNNXBMFYSA-N 1 1 312.392 3.859 20 30 DHEDMO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1ccc(C#N)cc1 ZINC000374624816 336993826 /nfs/dbraw/zinc/99/38/26/336993826.db2.gz RBMSPOROCVLZLK-YWZLYKJASA-N 1 1 316.408 3.732 20 30 DHEDMO Cc1ccc(C[N@@H+](CCC#N)CC2CC2)c(-c2cnn(C)c2)c1 ZINC000374998316 337001222 /nfs/dbraw/zinc/00/12/22/337001222.db2.gz WKRWJTDSDZHZHY-UHFFFAOYSA-N 1 1 308.429 3.521 20 30 DHEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](Cc2ccc(C(F)F)cc2)C1 ZINC000375155383 337004608 /nfs/dbraw/zinc/00/46/08/337004608.db2.gz XZSAOPIJHQOGFS-JKSUJKDBSA-N 1 1 317.383 3.932 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000375317602 337007860 /nfs/dbraw/zinc/00/78/60/337007860.db2.gz GRSPHXPFJXEMNI-RTBURBONSA-N 1 1 314.429 3.513 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2cc(C#N)ccn2)cc1F ZINC000376403102 337032703 /nfs/dbraw/zinc/03/27/03/337032703.db2.gz MCUZRJAZUYXEKW-GFCCVEGCSA-N 1 1 321.359 3.760 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000376740131 337040181 /nfs/dbraw/zinc/04/01/81/337040181.db2.gz QOSOVPNHRKMTAF-MRXNPFEDSA-N 1 1 314.477 3.729 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000123219834 337040958 /nfs/dbraw/zinc/04/09/58/337040958.db2.gz SSPHNRFDPQDHHE-UHFFFAOYSA-N 1 1 324.424 3.986 20 30 DHEDMO C=C(C)CN(C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376823321 337042026 /nfs/dbraw/zinc/04/20/26/337042026.db2.gz OILMLNZFDDWWFZ-INIZCTEOSA-N 1 1 315.461 3.528 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000378152460 337067313 /nfs/dbraw/zinc/06/73/13/337067313.db2.gz YSSVNIQDPOQDGM-LJQANCHMSA-N 1 1 309.457 3.801 20 30 DHEDMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1cccc(OCCCC#N)c1 ZINC000193906997 337081315 /nfs/dbraw/zinc/08/13/15/337081315.db2.gz KFXKSKINZBLUKY-RKVPGOIHSA-N 1 1 301.434 3.510 20 30 DHEDMO Cc1ccc(-c2noc([C@H](C)[NH2+][C@H]3CC[C@@H](C#N)C3)n2)cc1F ZINC000582612954 337114472 /nfs/dbraw/zinc/11/44/72/337114472.db2.gz GIACXFNDXHBSOI-SCRDCRAPSA-N 1 1 314.364 3.527 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000172647619 337129251 /nfs/dbraw/zinc/12/92/51/337129251.db2.gz SUSBTCFGCJFLIA-HNNXBMFYSA-N 1 1 310.397 3.639 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175827403 337149440 /nfs/dbraw/zinc/14/94/40/337149440.db2.gz SMQONQLULQNDEO-GJZGRUSLSA-N 1 1 306.475 3.966 20 30 DHEDMO C=CCCCC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000177545545 337156304 /nfs/dbraw/zinc/15/63/04/337156304.db2.gz KIMDZKRGTIPSRX-HOTGVXAUSA-N 1 1 316.445 3.591 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000178655919 337165798 /nfs/dbraw/zinc/16/57/98/337165798.db2.gz ZHHHXILOXZJFPT-UHFFFAOYSA-N 1 1 320.392 3.562 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)Cc2cnc(C)s2)cc1OC ZINC000179382580 337168668 /nfs/dbraw/zinc/16/86/68/337168668.db2.gz AMYXPDIZXOKGTC-UHFFFAOYSA-N 1 1 318.442 3.657 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cnc(C)s2)cc1OC ZINC000179382580 337168669 /nfs/dbraw/zinc/16/86/69/337168669.db2.gz AMYXPDIZXOKGTC-UHFFFAOYSA-N 1 1 318.442 3.657 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCSC[C@H]2C)ccc1OC ZINC000179666357 337170962 /nfs/dbraw/zinc/17/09/62/337170962.db2.gz IYPMUIMFNFBPPP-CQSZACIVSA-N 1 1 307.459 3.587 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000179934840 337172697 /nfs/dbraw/zinc/17/26/97/337172697.db2.gz XATMCLDRYAGBGZ-INIZCTEOSA-N 1 1 314.429 3.513 20 30 DHEDMO C#CCC(C)(C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000185869514 337252202 /nfs/dbraw/zinc/25/22/02/337252202.db2.gz WQFFVEWWFDRDQL-KRWDZBQOSA-N 1 1 318.505 3.539 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186655000 337258249 /nfs/dbraw/zinc/25/82/49/337258249.db2.gz CHYNDAOBSISDMD-FOIQADDNSA-N 1 1 304.393 3.751 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1cc(C(N)=O)cs1)c1ccc(F)c(F)c1 ZINC000187372114 337265273 /nfs/dbraw/zinc/26/52/73/337265273.db2.gz HKKREYKWYIOGGE-HNNXBMFYSA-N 1 1 322.380 3.532 20 30 DHEDMO C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2cc(C#N)n(C)c2)C2CC2)o1 ZINC000191223141 337295080 /nfs/dbraw/zinc/29/50/80/337295080.db2.gz PKOCZZVMCCUXLJ-UGSOOPFHSA-N 1 1 309.413 3.778 20 30 DHEDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2cc(C#N)n(C)c2)C2CC2)o1 ZINC000191223141 337295081 /nfs/dbraw/zinc/29/50/81/337295081.db2.gz PKOCZZVMCCUXLJ-UGSOOPFHSA-N 1 1 309.413 3.778 20 30 DHEDMO Cn1cc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)cc1C#N ZINC000191253353 337295228 /nfs/dbraw/zinc/29/52/28/337295228.db2.gz IZGOIXGJQJBGCA-UHFFFAOYSA-N 1 1 308.212 3.836 20 30 DHEDMO Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000191889720 337300964 /nfs/dbraw/zinc/30/09/64/337300964.db2.gz GMHUUHCCLRHKHX-UHFFFAOYSA-N 1 1 316.408 3.684 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)cc1F ZINC000191977903 337302450 /nfs/dbraw/zinc/30/24/50/337302450.db2.gz WVMYVHUSOSKESI-AWEZNQCLSA-N 1 1 301.390 3.533 20 30 DHEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cccnc1C#N ZINC000398006686 337303592 /nfs/dbraw/zinc/30/35/92/337303592.db2.gz BGAGRPSHQOELPF-LJQANCHMSA-N 1 1 308.429 3.522 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)Cc1cc(F)c(F)c(F)c1 ZINC000192167001 337303650 /nfs/dbraw/zinc/30/36/50/337303650.db2.gz UPUHVZXZVSUHNF-UHFFFAOYSA-N 1 1 308.278 3.747 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1cc(F)c(F)c(F)c1 ZINC000192167001 337303651 /nfs/dbraw/zinc/30/36/51/337303651.db2.gz UPUHVZXZVSUHNF-UHFFFAOYSA-N 1 1 308.278 3.747 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000102401945 337386299 /nfs/dbraw/zinc/38/62/99/337386299.db2.gz DLPGRLJNKJZRQU-ZDUSSCGKSA-N 1 1 303.793 3.755 20 30 DHEDMO C=C(C)C(C)(C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000424540974 337855913 /nfs/dbraw/zinc/85/59/13/337855913.db2.gz JPDCBVYNHXGGNP-OAHLLOKOSA-N 1 1 308.853 3.661 20 30 DHEDMO COC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2)C2CC2)c1C#N ZINC000537291935 337928536 /nfs/dbraw/zinc/92/85/36/337928536.db2.gz SYKNRQLGHNWJJJ-IBGZPJMESA-N 1 1 320.392 3.586 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000084133891 338000287 /nfs/dbraw/zinc/00/02/87/338000287.db2.gz DEICKNMOLGWOKW-FQEVSTJZSA-N 1 1 324.399 3.531 20 30 DHEDMO CC(C)n1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000516228035 338008167 /nfs/dbraw/zinc/00/81/67/338008167.db2.gz HTIRJCDIGPJTGN-IBGZPJMESA-N 1 1 308.429 3.893 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2CCO)cc1 ZINC000426210657 338022946 /nfs/dbraw/zinc/02/29/46/338022946.db2.gz MXJVZQBPWWHURP-LJQANCHMSA-N 1 1 306.409 3.572 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426455105 338032611 /nfs/dbraw/zinc/03/26/11/338032611.db2.gz AQPPMSHLURRFRO-ZBFHGGJFSA-N 1 1 316.470 3.778 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000426577608 338035083 /nfs/dbraw/zinc/03/50/83/338035083.db2.gz DHDHSLXNGGJQKG-KRWDZBQOSA-N 1 1 314.429 3.918 20 30 DHEDMO CCc1nc(C)c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000428287160 338045767 /nfs/dbraw/zinc/04/57/67/338045767.db2.gz CPPJUCXTWJCNGV-UHFFFAOYSA-N 1 1 307.397 3.706 20 30 DHEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428374009 338049232 /nfs/dbraw/zinc/04/92/32/338049232.db2.gz MRYITVSHGFAQRG-BFUOFWGJSA-N 1 1 310.372 3.521 20 30 DHEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428374009 338049233 /nfs/dbraw/zinc/04/92/33/338049233.db2.gz MRYITVSHGFAQRG-BFUOFWGJSA-N 1 1 310.372 3.521 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)cc1OCCCC#N ZINC000428455165 338052758 /nfs/dbraw/zinc/05/27/58/338052758.db2.gz JEKYICSBBKMHSM-IRXDYDNUSA-N 1 1 314.429 3.752 20 30 DHEDMO N#CCCn1cc(C[N@H+]2CC[C@@H]3CCC[C@H]32)c(-c2ccccc2)n1 ZINC000428462731 338053266 /nfs/dbraw/zinc/05/32/66/338053266.db2.gz LYYVAYLTXAWFKX-QFBILLFUSA-N 1 1 320.440 3.838 20 30 DHEDMO Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1C ZINC000428713852 338059299 /nfs/dbraw/zinc/05/92/99/338059299.db2.gz XNAKBWAQSDSDQD-INIZCTEOSA-N 1 1 321.424 3.634 20 30 DHEDMO CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428785190 338060998 /nfs/dbraw/zinc/06/09/98/338060998.db2.gz QFNZKODPQORDJW-QZTJIDSGSA-N 1 1 307.397 3.558 20 30 DHEDMO C[C@]1(O)CCCC[C@H]1[C@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428994877 338068069 /nfs/dbraw/zinc/06/80/69/338068069.db2.gz PYWPFMTZWUVKAU-UHOSZYNNSA-N 1 1 316.420 3.603 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)Cc2occc2C)cc(OC)c1O ZINC000430123590 338098009 /nfs/dbraw/zinc/09/80/09/338098009.db2.gz MPPBBMXMMIZUCX-UHFFFAOYSA-N 1 1 301.386 3.663 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000430284363 338104355 /nfs/dbraw/zinc/10/43/55/338104355.db2.gz NNKVTHYQNFAZKR-GDBMZVCRSA-N 1 1 318.486 3.549 20 30 DHEDMO N#CCC1(C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000430730543 338112556 /nfs/dbraw/zinc/11/25/56/338112556.db2.gz RURAPGVXGIKUNY-KRWDZBQOSA-N 1 1 313.351 3.733 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(F)c(Cl)c2)cc1C#N ZINC000432796279 338168310 /nfs/dbraw/zinc/16/83/10/338168310.db2.gz GHHYZFXHQQWVKB-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO COC(=O)c1ccoc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433014306 338176381 /nfs/dbraw/zinc/17/63/81/338176381.db2.gz ROSZOJCCLYERRN-MRXNPFEDSA-N 1 1 312.369 3.591 20 30 DHEDMO CC(C)(C)n1ncnc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433016472 338176443 /nfs/dbraw/zinc/17/64/43/338176443.db2.gz QZTNKJKISHFJQH-INIZCTEOSA-N 1 1 311.433 3.558 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2nc(C(=O)OCC)cs2)CCCC1(C)C ZINC000433209297 338186127 /nfs/dbraw/zinc/18/61/27/338186127.db2.gz XNJNQNFUVCOCRR-AWEZNQCLSA-N 1 1 322.474 3.887 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2nc(C(=O)OCC)cs2)CCCC1(C)C ZINC000433209297 338186128 /nfs/dbraw/zinc/18/61/28/338186128.db2.gz XNJNQNFUVCOCRR-AWEZNQCLSA-N 1 1 322.474 3.887 20 30 DHEDMO C[N@H+](Cc1c(-c2ccccc2)nc2ccccn21)CC(C)(C)C#N ZINC000433296795 338189889 /nfs/dbraw/zinc/18/98/89/338189889.db2.gz JLHMPXPOYWKWPX-UHFFFAOYSA-N 1 1 318.424 3.983 20 30 DHEDMO C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)CC(C)(C)C#N ZINC000433296795 338189890 /nfs/dbraw/zinc/18/98/90/338189890.db2.gz JLHMPXPOYWKWPX-UHFFFAOYSA-N 1 1 318.424 3.983 20 30 DHEDMO C[N@H+](CCOc1c(Cl)cccc1Cl)CC(C)(C)C#N ZINC000433301236 338190495 /nfs/dbraw/zinc/19/04/95/338190495.db2.gz GCWULQHMEZWSLB-UHFFFAOYSA-N 1 1 301.217 3.854 20 30 DHEDMO C[N@@H+](CCOc1c(Cl)cccc1Cl)CC(C)(C)C#N ZINC000433301236 338190496 /nfs/dbraw/zinc/19/04/96/338190496.db2.gz GCWULQHMEZWSLB-UHFFFAOYSA-N 1 1 301.217 3.854 20 30 DHEDMO N#CCC[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)c1ccccc1 ZINC000433328435 338192719 /nfs/dbraw/zinc/19/27/19/338192719.db2.gz DBZJKCTUQOVUAG-MRXNPFEDSA-N 1 1 306.369 3.804 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433331509 338192857 /nfs/dbraw/zinc/19/28/57/338192857.db2.gz ZTLUODUIPNJPRY-UHFFFAOYSA-N 1 1 309.369 3.524 20 30 DHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000434846626 338226325 /nfs/dbraw/zinc/22/63/25/338226325.db2.gz QQDGXBUKKMIXFG-DNVCBOLYSA-N 1 1 322.408 3.508 20 30 DHEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000434846626 338226326 /nfs/dbraw/zinc/22/63/26/338226326.db2.gz QQDGXBUKKMIXFG-DNVCBOLYSA-N 1 1 322.408 3.508 20 30 DHEDMO C=CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000154792137 338252810 /nfs/dbraw/zinc/25/28/10/338252810.db2.gz ZOEDMWGWJUJTCP-UHFFFAOYSA-N 1 1 304.397 3.552 20 30 DHEDMO CCC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000438062775 338329459 /nfs/dbraw/zinc/32/94/59/338329459.db2.gz XOCYEHYRKPDBOI-QRVBRYPASA-N 1 1 315.432 3.703 20 30 DHEDMO CC(C)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000438485500 338345783 /nfs/dbraw/zinc/34/57/83/338345783.db2.gz LQVGONXTQKIQIX-JSGCOSHPSA-N 1 1 319.836 3.517 20 30 DHEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000438607262 338349810 /nfs/dbraw/zinc/34/98/10/338349810.db2.gz KOIBQDBFTGYWEX-HNNXBMFYSA-N 1 1 313.828 3.960 20 30 DHEDMO O[C@@H]1CCCC[C@H]1[C@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000439011030 338358375 /nfs/dbraw/zinc/35/83/75/338358375.db2.gz ZPRFJWOPYBBKRK-XUVXKRRUSA-N 1 1 315.432 3.583 20 30 DHEDMO CSCCC[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000439472916 338370788 /nfs/dbraw/zinc/37/07/88/338370788.db2.gz UCPYBYFUZADLNB-UHFFFAOYSA-N 1 1 313.264 3.506 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000439879138 338380066 /nfs/dbraw/zinc/38/00/66/338380066.db2.gz NNVXDDNTXPGBQW-IBGZPJMESA-N 1 1 310.828 3.878 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC#Cc2ccc(F)cc2)C1 ZINC000440057393 338383044 /nfs/dbraw/zinc/38/30/44/338383044.db2.gz ANXLSHOLUQICFK-QKLQHJQFSA-N 1 1 314.448 3.514 20 30 DHEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000440910350 338399753 /nfs/dbraw/zinc/39/97/53/338399753.db2.gz CPVOROJNMDSTRI-IBGZPJMESA-N 1 1 308.425 3.610 20 30 DHEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2csc(CCc3ccccc3)n2)C1 ZINC000442777939 338430569 /nfs/dbraw/zinc/43/05/69/338430569.db2.gz JILSXZUJXFJDAC-CVEARBPZSA-N 1 1 311.454 3.710 20 30 DHEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(c2ccccc2)CC1 ZINC000459295376 339019792 /nfs/dbraw/zinc/01/97/92/339019792.db2.gz QACAKLBZWFLSEL-UHFFFAOYSA-N 1 1 321.380 3.846 20 30 DHEDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459317665 339021319 /nfs/dbraw/zinc/02/13/19/339021319.db2.gz BOKVCNLPUXBNHZ-MRXNPFEDSA-N 1 1 321.380 3.764 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459373649 339025298 /nfs/dbraw/zinc/02/52/98/339025298.db2.gz LEJSINMALNBBMD-PBHICJAKSA-N 1 1 321.380 3.844 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](CC3CCC(F)(F)CC3)CCO2)c1 ZINC000459394326 339026877 /nfs/dbraw/zinc/02/68/77/339026877.db2.gz SNXZXIYUFVAAJZ-KRWDZBQOSA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](CC3CCC(F)(F)CC3)CCO2)c1 ZINC000459394326 339026878 /nfs/dbraw/zinc/02/68/78/339026878.db2.gz SNXZXIYUFVAAJZ-KRWDZBQOSA-N 1 1 320.383 3.757 20 30 DHEDMO N#CCCCCN1CC[N@@H+](CCCCC#N)C[C@H]1c1ccccc1 ZINC000459500098 339032780 /nfs/dbraw/zinc/03/27/80/339032780.db2.gz BOJXQNHVSCBSDV-FQEVSTJZSA-N 1 1 324.472 3.733 20 30 DHEDMO N#CCCCCN1CC[N@H+](CCCCC#N)[C@H](c2ccccc2)C1 ZINC000459500098 339032781 /nfs/dbraw/zinc/03/27/81/339032781.db2.gz BOJXQNHVSCBSDV-FQEVSTJZSA-N 1 1 324.472 3.733 20 30 DHEDMO N#CCCCCN1CC[N@@H+](CCCCC#N)[C@H](c2ccccc2)C1 ZINC000459500098 339032782 /nfs/dbraw/zinc/03/27/82/339032782.db2.gz BOJXQNHVSCBSDV-FQEVSTJZSA-N 1 1 324.472 3.733 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000459572194 339036642 /nfs/dbraw/zinc/03/66/42/339036642.db2.gz TVQISTYUASFUSB-SFTDATJTSA-N 1 1 320.436 3.810 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459787372 339048655 /nfs/dbraw/zinc/04/86/55/339048655.db2.gz BYSANFLMBMFITI-UONOGXRCSA-N 1 1 302.418 3.529 20 30 DHEDMO C[C@H](C[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000459810138 339049568 /nfs/dbraw/zinc/04/95/68/339049568.db2.gz PWGXDRWHXSBHAO-KGLIPLIRSA-N 1 1 302.418 3.529 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)N[C@@H](C)C[N@H+](C)CCCC ZINC000461803344 339067393 /nfs/dbraw/zinc/06/73/93/339067393.db2.gz YPVRFDSUIDBPIJ-HNNXBMFYSA-N 1 1 323.506 3.566 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCc1ccncc1 ZINC000462309678 339075471 /nfs/dbraw/zinc/07/54/71/339075471.db2.gz CZLSIEDZDBRZDU-WOJBJXKFSA-N 1 1 305.425 3.786 20 30 DHEDMO C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)C[N@H+](CC)CCC ZINC000463057421 339103543 /nfs/dbraw/zinc/10/35/43/339103543.db2.gz IXQBEGOYIAWPPD-KRWDZBQOSA-N 1 1 317.477 3.505 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CC#Cc2ccccc2)C1 ZINC000463217323 339109996 /nfs/dbraw/zinc/10/99/96/339109996.db2.gz CCHMXECXSLEDAI-PBASOCQRSA-N 1 1 311.469 3.690 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOc1ccccc1 ZINC000464837516 339156558 /nfs/dbraw/zinc/15/65/58/339156558.db2.gz XSBMITXEJWRIAO-PMACEKPBSA-N 1 1 306.409 3.837 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOc1ccccc1 ZINC000464837516 339156559 /nfs/dbraw/zinc/15/65/59/339156559.db2.gz XSBMITXEJWRIAO-PMACEKPBSA-N 1 1 306.409 3.837 20 30 DHEDMO CCC[C@]1(C)CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000464839918 339156619 /nfs/dbraw/zinc/15/66/19/339156619.db2.gz RVHUDFODPKOCGT-SJLPKXTDSA-N 1 1 319.493 3.620 20 30 DHEDMO CCC[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000464843298 339156968 /nfs/dbraw/zinc/15/69/68/339156968.db2.gz SHFDNRDIULENCJ-HNAYVOBHSA-N 1 1 313.445 3.787 20 30 DHEDMO C=CC[C@H](CC)NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000466367624 339201021 /nfs/dbraw/zinc/20/10/21/339201021.db2.gz XJTFDUIRSMHETL-SFHVURJKSA-N 1 1 321.509 3.639 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000466663237 339212332 /nfs/dbraw/zinc/21/23/32/339212332.db2.gz CWSKSROXVAQJEK-FUHWJXTLSA-N 1 1 306.494 3.750 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000467296119 339229664 /nfs/dbraw/zinc/22/96/64/339229664.db2.gz ZAKOSIPNIULMRM-NSHDSACASA-N 1 1 315.244 3.679 20 30 DHEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000467302307 339230406 /nfs/dbraw/zinc/23/04/06/339230406.db2.gz XNZOFISAYNAWSK-KRWDZBQOSA-N 1 1 322.452 3.789 20 30 DHEDMO N#Cc1cccc(CC[NH2+][C@H](CCc2ccccc2)C(F)F)c1 ZINC000467436278 339238500 /nfs/dbraw/zinc/23/85/00/339238500.db2.gz WVODBYNZDYKUPI-GOSISDBHSA-N 1 1 314.379 3.957 20 30 DHEDMO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000468000373 339250836 /nfs/dbraw/zinc/25/08/36/339250836.db2.gz NNFRDLMTMDQZST-ICSRJNTNSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CCOCCC[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000470759489 339326987 /nfs/dbraw/zinc/32/69/87/339326987.db2.gz GMGMRWJDGFNGKV-UHFFFAOYSA-N 1 1 303.324 3.610 20 30 DHEDMO C=C(C)C[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000470911014 339330999 /nfs/dbraw/zinc/33/09/99/339330999.db2.gz OCVCAAARSDEREI-UHFFFAOYSA-N 1 1 319.408 3.575 20 30 DHEDMO C=C(C)C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000470911014 339331000 /nfs/dbraw/zinc/33/10/00/339331000.db2.gz OCVCAAARSDEREI-UHFFFAOYSA-N 1 1 319.408 3.575 20 30 DHEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000470948607 339332115 /nfs/dbraw/zinc/33/21/15/339332115.db2.gz PVXMUQOKQDOLNC-FZMZJTMJSA-N 1 1 301.739 3.964 20 30 DHEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000470948607 339332116 /nfs/dbraw/zinc/33/21/16/339332116.db2.gz PVXMUQOKQDOLNC-FZMZJTMJSA-N 1 1 301.739 3.964 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000472349972 339370591 /nfs/dbraw/zinc/37/05/91/339370591.db2.gz PGKLHAYERHWGKZ-HNAYVOBHSA-N 1 1 318.436 3.633 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](CC)Cc1cccc(Br)c1 ZINC000472774430 339377307 /nfs/dbraw/zinc/37/73/07/339377307.db2.gz PTPVQTYAJBSBGU-OAHLLOKOSA-N 1 1 312.251 3.598 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000499047179 339381173 /nfs/dbraw/zinc/38/11/73/339381173.db2.gz BJLFEFIIVGVWGT-UXLLHSPISA-N 1 1 320.502 3.820 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000499047179 339381174 /nfs/dbraw/zinc/38/11/74/339381174.db2.gz BJLFEFIIVGVWGT-UXLLHSPISA-N 1 1 320.502 3.820 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000499047911 339383199 /nfs/dbraw/zinc/38/31/99/339383199.db2.gz KOOXXQDYFCTAOK-OWCLPIDISA-N 1 1 320.502 3.914 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000499047911 339383200 /nfs/dbraw/zinc/38/32/00/339383200.db2.gz KOOXXQDYFCTAOK-OWCLPIDISA-N 1 1 320.502 3.914 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)NCCC(C)C)c1ccc(F)c(F)c1 ZINC000481594416 339607432 /nfs/dbraw/zinc/60/74/32/339607432.db2.gz GJUKPWZSKVUNNO-SUMWQHHRSA-N 1 1 324.415 3.722 20 30 DHEDMO CCC[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1nnc2ccccn21 ZINC000488311910 339776606 /nfs/dbraw/zinc/77/66/06/339776606.db2.gz UEFJYGHMRSZOOF-QGZVFWFLSA-N 1 1 319.412 3.540 20 30 DHEDMO C[C@@H]1C[C@H](C)[N@@H+](CCCCC#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496410036 340004858 /nfs/dbraw/zinc/00/48/58/340004858.db2.gz INYILKMBNRLERI-OWCLPIDISA-N 1 1 323.481 3.551 20 30 DHEDMO CC[N@@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@H](C)C#N ZINC000497010063 340018129 /nfs/dbraw/zinc/01/81/29/340018129.db2.gz VTLCLYMNFIDANL-CVEARBPZSA-N 1 1 323.481 3.505 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CCO[C@H](C(C)C)C2)ccc1OC ZINC000497116185 340020757 /nfs/dbraw/zinc/02/07/57/340020757.db2.gz QIZROYSZAQTGMR-IBGZPJMESA-N 1 1 319.445 3.507 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCO[C@H](C(C)C)C2)ccc1OC ZINC000497116185 340020758 /nfs/dbraw/zinc/02/07/58/340020758.db2.gz QIZROYSZAQTGMR-IBGZPJMESA-N 1 1 319.445 3.507 20 30 DHEDMO COc1ccc([C@H](C)[N@@H+](C)CCOc2ccccc2C#N)cc1 ZINC000498790598 340023236 /nfs/dbraw/zinc/02/32/36/340023236.db2.gz MTMMYKIKPDQBBX-HNNXBMFYSA-N 1 1 310.397 3.639 20 30 DHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1CC(C)C ZINC000501115531 340074621 /nfs/dbraw/zinc/07/46/21/340074621.db2.gz XIFCMPLMZICVOF-RTBURBONSA-N 1 1 317.473 3.665 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000501204516 340076080 /nfs/dbraw/zinc/07/60/80/340076080.db2.gz LBZOPUUYKJPXBW-MRXNPFEDSA-N 1 1 310.372 3.695 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000501208806 340076185 /nfs/dbraw/zinc/07/61/85/340076185.db2.gz ZHJKRCNUMDPHCT-QGZVFWFLSA-N 1 1 324.399 3.771 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000501211023 340076235 /nfs/dbraw/zinc/07/62/35/340076235.db2.gz VHGRRZDWMXQKTR-SFHVURJKSA-N 1 1 306.409 3.631 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000501779633 340088472 /nfs/dbraw/zinc/08/84/72/340088472.db2.gz XKQDMINVVCEUKB-OAGGEKHMSA-N 1 1 320.502 3.629 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(=O)OC)cc1 ZINC000502056826 340094287 /nfs/dbraw/zinc/09/42/87/340094287.db2.gz QXYHTHWWBBPGKU-UHFFFAOYSA-N 1 1 322.408 3.757 20 30 DHEDMO C[C@H](c1ccccc1)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000502070057 340094617 /nfs/dbraw/zinc/09/46/17/340094617.db2.gz IJQJMXIDCZKRGC-QGZVFWFLSA-N 1 1 305.425 3.832 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000502468867 340105023 /nfs/dbraw/zinc/10/50/23/340105023.db2.gz NFSKQODPXMDBBK-MRXNPFEDSA-N 1 1 324.424 3.710 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000502468867 340105024 /nfs/dbraw/zinc/10/50/24/340105024.db2.gz NFSKQODPXMDBBK-MRXNPFEDSA-N 1 1 324.424 3.710 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000503692304 340133710 /nfs/dbraw/zinc/13/37/10/340133710.db2.gz LHZLZMMRQFUDJD-MRXNPFEDSA-N 1 1 310.372 3.566 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC[C@H](COc3ccccc3)C2)ccc1F ZINC000505813128 340178589 /nfs/dbraw/zinc/17/85/89/340178589.db2.gz RNIMLJPGJJYERM-INIZCTEOSA-N 1 1 310.372 3.598 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000505868999 340180302 /nfs/dbraw/zinc/18/03/02/340180302.db2.gz TVIYVEDWQMMRTH-UHFFFAOYSA-N 1 1 317.385 3.626 20 30 DHEDMO C[N@@H+](CCOc1cccc(Cl)c1)Cc1cc(C#N)cs1 ZINC000506163601 340187252 /nfs/dbraw/zinc/18/72/52/340187252.db2.gz LKFFXVCIYGFWTB-UHFFFAOYSA-N 1 1 306.818 3.784 20 30 DHEDMO CC(C)[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1cccc(F)c1 ZINC000507169037 340210576 /nfs/dbraw/zinc/21/05/76/340210576.db2.gz HIMZFLVSYHZPPI-UHFFFAOYSA-N 1 1 322.387 3.756 20 30 DHEDMO C[N@H+](Cc1cnc(-c2ccncc2)s1)Cc1cccc(C#N)c1 ZINC000507221106 340214211 /nfs/dbraw/zinc/21/42/11/340214211.db2.gz FIFKBXFPKNGKGX-UHFFFAOYSA-N 1 1 320.421 3.709 20 30 DHEDMO C[N@@H+](Cc1cnc(-c2ccncc2)s1)Cc1cccc(C#N)c1 ZINC000507221106 340214212 /nfs/dbraw/zinc/21/42/12/340214212.db2.gz FIFKBXFPKNGKGX-UHFFFAOYSA-N 1 1 320.421 3.709 20 30 DHEDMO CC[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCO1 ZINC000507786317 340231432 /nfs/dbraw/zinc/23/14/32/340231432.db2.gz YLJZDPAHMMPSBZ-VBSBHUPXSA-N 1 1 312.457 3.963 20 30 DHEDMO C=CC[N@H+](Cc1cc(Br)ccc1OCC)C1CC1 ZINC000507838474 340233728 /nfs/dbraw/zinc/23/37/28/340233728.db2.gz YZUJBIBSTSIVBR-UHFFFAOYSA-N 1 1 310.235 3.998 20 30 DHEDMO C=CC[NH+]1CCN([C@@H](CC)c2ccc(Br)cc2)CC1 ZINC000507872267 340234803 /nfs/dbraw/zinc/23/48/03/340234803.db2.gz IJJUFRQCPZGIFV-INIZCTEOSA-N 1 1 323.278 3.704 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(OCCOC)c1 ZINC000508528122 340245911 /nfs/dbraw/zinc/24/59/11/340245911.db2.gz KTPZNTLRQLKKGB-UHFFFAOYSA-N 1 1 311.425 3.900 20 30 DHEDMO C=C(C)CC[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000509250103 340264511 /nfs/dbraw/zinc/26/45/11/340264511.db2.gz VYFKXLCGDBKEHI-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCc2c(Br)cccc2[C@H]1C ZINC000509415612 340268793 /nfs/dbraw/zinc/26/87/93/340268793.db2.gz KGPDRZPHZUKGGP-CHWSQXEVSA-N 1 1 324.262 3.695 20 30 DHEDMO CC1CCC([N@@H+](C)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000302587086 340276788 /nfs/dbraw/zinc/27/67/88/340276788.db2.gz DRWGEBHFYTZRRW-UHFFFAOYSA-N 1 1 319.836 3.661 20 30 DHEDMO C=CC[N@H+](CCc1nc2ccccc2n1C)Cc1cccs1 ZINC000510239114 340293700 /nfs/dbraw/zinc/29/37/00/340293700.db2.gz DXNJNKHGFTZZNI-UHFFFAOYSA-N 1 1 311.454 3.866 20 30 DHEDMO N#Cc1cc(F)ccc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000303089392 340301178 /nfs/dbraw/zinc/30/11/78/340301178.db2.gz NLEGPGVGERVVCM-SFHVURJKSA-N 1 1 309.388 3.774 20 30 DHEDMO CC(C)(C)c1ccc2c(c1)C[N@H+](CCCSCC#N)CC2 ZINC000511216113 340324039 /nfs/dbraw/zinc/32/40/39/340324039.db2.gz KVZNBOURNBIXRN-UHFFFAOYSA-N 1 1 302.487 3.989 20 30 DHEDMO C=CC[N@H+](C[C@@H](O)COc1ccccc1F)CC1CCCCC1 ZINC000303426921 340325185 /nfs/dbraw/zinc/32/51/85/340325185.db2.gz CDOLBMYIUNLBPN-QGZVFWFLSA-N 1 1 321.436 3.634 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000511628778 340332980 /nfs/dbraw/zinc/33/29/80/340332980.db2.gz PZAQMOPMQBQNRW-NRFANRHFSA-N 1 1 323.436 3.997 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)C2Cc3ccccc3C2)cc1OC ZINC000511655792 340334128 /nfs/dbraw/zinc/33/41/28/340334128.db2.gz KVPQYLZGVSPJSC-UHFFFAOYSA-N 1 1 323.436 3.859 20 30 DHEDMO C=C(C)C[N@@H+](CCSc1ccccc1)Cc1ccc(CO)o1 ZINC000512192264 340351673 /nfs/dbraw/zinc/35/16/73/340351673.db2.gz AYOSXYPMYBHPCG-UHFFFAOYSA-N 1 1 317.454 3.942 20 30 DHEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H](C)c1ccc(C#N)cc1F ZINC000512618819 340369270 /nfs/dbraw/zinc/36/92/70/340369270.db2.gz JVIJKURQRRBNAZ-QKPAOTATSA-N 1 1 317.452 3.714 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000512649422 340370932 /nfs/dbraw/zinc/37/09/32/340370932.db2.gz XAEIPWVJPFXBGK-LJQANCHMSA-N 1 1 308.425 3.938 20 30 DHEDMO C[C@H](NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(C#N)cc1F ZINC000512655380 340371248 /nfs/dbraw/zinc/37/12/48/340371248.db2.gz UBDJNWQLEAQKLX-LIRRHRJNSA-N 1 1 311.404 3.651 20 30 DHEDMO C[C@@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1ccc(C#N)cc1F ZINC000512667506 340372059 /nfs/dbraw/zinc/37/20/59/340372059.db2.gz PXHQOKPDHJVVEN-AUUYWEPGSA-N 1 1 317.452 3.858 20 30 DHEDMO C=CCOc1ccc(CNCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000521817685 340533489 /nfs/dbraw/zinc/53/34/89/340533489.db2.gz LKEUJQAUIADFEC-QZTJIDSGSA-N 1 1 316.489 3.709 20 30 DHEDMO CCc1ccc([C@@H](COC)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000539608506 340892305 /nfs/dbraw/zinc/89/23/05/340892305.db2.gz OPGAWSQPAGJRHH-YVEFUNNKSA-N 1 1 316.376 3.891 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H]1CC=CCC1 ZINC000542248640 341001869 /nfs/dbraw/zinc/00/18/69/341001869.db2.gz UQKQJUUKDWJXHJ-CYBMUJFWSA-N 1 1 306.356 3.948 20 30 DHEDMO N#CCC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000542853448 341023600 /nfs/dbraw/zinc/02/36/00/341023600.db2.gz HEBUZWQSPHOKCY-UHFFFAOYSA-N 1 1 311.198 3.714 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](c3ccc(C)cc3)C2)cc1C#N ZINC000543247514 341038064 /nfs/dbraw/zinc/03/80/64/341038064.db2.gz DLWPTNFGGPXKAR-SFHVURJKSA-N 1 1 306.409 3.865 20 30 DHEDMO CC(C)c1ccc(-c2noc(C[NH+]3CCC(CC#N)CC3)n2)cc1 ZINC000543806440 341059833 /nfs/dbraw/zinc/05/98/33/341059833.db2.gz DERLSUXDLTUPFB-UHFFFAOYSA-N 1 1 324.428 3.986 20 30 DHEDMO C[C@H](c1ccc(F)cc1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000072073580 341060860 /nfs/dbraw/zinc/06/08/60/341060860.db2.gz YMERZHIQDQBMIQ-OAHLLOKOSA-N 1 1 309.388 3.581 20 30 DHEDMO COc1cc2c(c(C[N@H+](C)Cc3ccc(C#N)cc3)c1)O[C@@H](C)C2 ZINC000131158470 341063220 /nfs/dbraw/zinc/06/32/20/341063220.db2.gz FTCDWZBLUREQJG-AWEZNQCLSA-N 1 1 322.408 3.522 20 30 DHEDMO COc1cc2c(c(C[N@@H+](C)Cc3ccc(C#N)cc3)c1)O[C@@H](C)C2 ZINC000131158470 341063221 /nfs/dbraw/zinc/06/32/21/341063221.db2.gz FTCDWZBLUREQJG-AWEZNQCLSA-N 1 1 322.408 3.522 20 30 DHEDMO C=C1CC[NH+](Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000544611944 341089092 /nfs/dbraw/zinc/08/90/92/341089092.db2.gz YZBLZQURRIQWQP-UHFFFAOYSA-N 1 1 303.299 3.919 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000131784654 341111632 /nfs/dbraw/zinc/11/16/32/341111632.db2.gz JCDVZSZSBBQUIY-GOSISDBHSA-N 1 1 300.446 3.650 20 30 DHEDMO C[N@@H+](CCCOc1ccc(Cl)cc1)CCCSCC#N ZINC000074982033 341158717 /nfs/dbraw/zinc/15/87/17/341158717.db2.gz AICLYJAKPWJKPG-UHFFFAOYSA-N 1 1 312.866 3.688 20 30 DHEDMO CC1CCC([N@@H+](CCCSCC#N)C[C@@H]2CCCO2)CC1 ZINC000074991612 341159148 /nfs/dbraw/zinc/15/91/48/341159148.db2.gz CWKXIFKCZUHXFO-JCYILVPMSA-N 1 1 310.507 3.693 20 30 DHEDMO COc1cc(C[NH2+]C[C@@H](C)C#N)ccc1OCc1ccccc1 ZINC000237147810 341208104 /nfs/dbraw/zinc/20/81/04/341208104.db2.gz QVQXKZJXHVYYFW-HNNXBMFYSA-N 1 1 310.397 3.523 20 30 DHEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000135326295 341236850 /nfs/dbraw/zinc/23/68/50/341236850.db2.gz CUNOAABWVRDXAZ-QAPCUYQASA-N 1 1 313.445 3.787 20 30 DHEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000548730347 341270925 /nfs/dbraw/zinc/27/09/25/341270925.db2.gz XZTKMGCEWXAWSV-WBMJQRKESA-N 1 1 319.836 3.661 20 30 DHEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000548730346 341270938 /nfs/dbraw/zinc/27/09/38/341270938.db2.gz XZTKMGCEWXAWSV-MLGOLLRUSA-N 1 1 319.836 3.661 20 30 DHEDMO C=CCCC[N@H+](C)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000137535429 341276268 /nfs/dbraw/zinc/27/62/68/341276268.db2.gz NUBRDYJQKJQJEO-UHFFFAOYSA-N 1 1 314.351 3.932 20 30 DHEDMO C[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccncc1F ZINC000548930075 341281319 /nfs/dbraw/zinc/28/13/19/341281319.db2.gz FTHVGBDUFQDRKP-GFCCVEGCSA-N 1 1 322.305 3.942 20 30 DHEDMO CC1=C(c2ccco2)C[N@@H+](CCOc2ccc(C#N)cc2)CC1 ZINC000549159932 341287694 /nfs/dbraw/zinc/28/76/94/341287694.db2.gz VXERXDUICQWRJC-UHFFFAOYSA-N 1 1 308.381 3.709 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](OC(F)F)C2)cc1Cl ZINC000549452691 341295013 /nfs/dbraw/zinc/29/50/13/341295013.db2.gz VYQRSPCEHCZIGD-LBPRGKRZSA-N 1 1 317.763 3.718 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OC(F)F)C2)cc1Cl ZINC000549452691 341295014 /nfs/dbraw/zinc/29/50/14/341295014.db2.gz VYQRSPCEHCZIGD-LBPRGKRZSA-N 1 1 317.763 3.718 20 30 DHEDMO C=CCOCC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000549531661 341296548 /nfs/dbraw/zinc/29/65/48/341296548.db2.gz NBOUHTCGDGANLG-HNNXBMFYSA-N 1 1 309.837 3.633 20 30 DHEDMO C=CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000549536239 341296870 /nfs/dbraw/zinc/29/68/70/341296870.db2.gz QHXBVFIOILMORQ-UHFFFAOYSA-N 1 1 300.280 3.764 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000248836249 341388179 /nfs/dbraw/zinc/38/81/79/341388179.db2.gz JYPQKXROMJZXAB-CTNGQTDRSA-N 1 1 310.485 3.625 20 30 DHEDMO CC[N@@H+](CCC1CCN(C(=O)[C@@](C)(C#N)CC)CC1)CC(C)C ZINC000552395014 341391236 /nfs/dbraw/zinc/39/12/36/341391236.db2.gz RWZJUWGXOMXDFT-LJQANCHMSA-N 1 1 321.509 3.533 20 30 DHEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000249079773 341393260 /nfs/dbraw/zinc/39/32/60/341393260.db2.gz LINANXOFZYVTBS-QGPMSJSTSA-N 1 1 320.502 3.850 20 30 DHEDMO Clc1ccccc1C#CC[NH+]1CCC(C2CCOCC2)CC1 ZINC000153518720 341543327 /nfs/dbraw/zinc/54/33/27/341543327.db2.gz PYYWNIOZKYAGCQ-UHFFFAOYSA-N 1 1 317.860 3.830 20 30 DHEDMO N#CCCC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000573371493 341726421 /nfs/dbraw/zinc/72/64/21/341726421.db2.gz FRJCUWKMDOWHGZ-UHFFFAOYSA-N 1 1 302.809 3.503 20 30 DHEDMO CCc1nnc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000577327761 341904466 /nfs/dbraw/zinc/90/44/66/341904466.db2.gz GHIRFZUOVUUEIR-HNNXBMFYSA-N 1 1 312.442 3.529 20 30 DHEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cccc(C#N)c3)c2C1 ZINC000158299618 519732581 /nfs/dbraw/zinc/73/25/81/519732581.db2.gz XOFQAXLUYYUVJE-UHFFFAOYSA-N 1 1 319.408 3.782 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC)[C@H]1CCCc2cccnc21 ZINC000365004890 521299297 /nfs/dbraw/zinc/29/92/97/521299297.db2.gz URRBKVWANXAWNK-SFHVURJKSA-N 1 1 321.424 3.861 20 30 DHEDMO CCC[N@@H+](CCCCCn1cccn1)Cc1ccc(C#N)cc1 ZINC000104674231 521651812 /nfs/dbraw/zinc/65/18/12/521651812.db2.gz DKMQCJZBEXUZRS-UHFFFAOYSA-N 1 1 310.445 3.837 20 30 DHEDMO CCC[N@@H+](Cc1ccccc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000338382567 521687437 /nfs/dbraw/zinc/68/74/37/521687437.db2.gz JIWRGKJWVCYLMR-GOSISDBHSA-N 1 1 322.408 3.610 20 30 DHEDMO CCC[N@H+](Cc1ccccc1C#N)C[C@@H]1COc2ccccc2O1 ZINC000338382567 521687440 /nfs/dbraw/zinc/68/74/40/521687440.db2.gz JIWRGKJWVCYLMR-GOSISDBHSA-N 1 1 322.408 3.610 20 30 DHEDMO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000189195592 522003406 /nfs/dbraw/zinc/00/34/06/522003406.db2.gz TUIRDIVLLDHDBD-CQSZACIVSA-N 1 1 308.381 3.538 20 30 DHEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)cc(OC)c1 ZINC000265526932 522356606 /nfs/dbraw/zinc/35/66/06/522356606.db2.gz OZUURKOISFMASK-AWEZNQCLSA-N 1 1 310.397 3.768 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)c(C#N)c2)o1 ZINC000130799999 523014567 /nfs/dbraw/zinc/01/45/67/523014567.db2.gz RMMXCYZHZSTNOL-KRWDZBQOSA-N 1 1 314.360 3.774 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)o1 ZINC000130799999 523014582 /nfs/dbraw/zinc/01/45/82/523014582.db2.gz RMMXCYZHZSTNOL-KRWDZBQOSA-N 1 1 314.360 3.774 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)s1)Cc1ccc(OC(F)F)cc1 ZINC000160627764 523213180 /nfs/dbraw/zinc/21/31/80/523213180.db2.gz OTAZABSMCZBTGF-UHFFFAOYSA-N 1 1 308.353 3.853 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(OC(F)F)cc1 ZINC000160627764 523213189 /nfs/dbraw/zinc/21/31/89/523213189.db2.gz OTAZABSMCZBTGF-UHFFFAOYSA-N 1 1 308.353 3.853 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)cc1C#N ZINC000339375879 524037060 /nfs/dbraw/zinc/03/70/60/524037060.db2.gz KESGQNHJWAQAIY-OAHLLOKOSA-N 1 1 310.372 3.695 20 30 DHEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000157816461 524813648 /nfs/dbraw/zinc/81/36/48/524813648.db2.gz PVQAMHPUFVBBIW-HNNXBMFYSA-N 1 1 310.372 3.695 20 30 DHEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000118849971 525512065 /nfs/dbraw/zinc/51/20/65/525512065.db2.gz OZDHEXDWYWLJMK-KYJSFNMBSA-N 1 1 311.429 3.540 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338326885 526068274 /nfs/dbraw/zinc/06/82/74/526068274.db2.gz BPUHNLYUUPKZDR-LAUBAEHRSA-N 1 1 320.436 3.645 20 30 DHEDMO Cc1csc(C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)n1 ZINC000156694361 526330038 /nfs/dbraw/zinc/33/00/38/526330038.db2.gz VDVYDCQGJZQWFU-UHFFFAOYSA-N 1 1 315.417 3.842 20 30 DHEDMO Cc1nc([C@@H]2CCC[N@@H+]2CCOc2ccccc2C#N)cs1 ZINC000189845572 527051593 /nfs/dbraw/zinc/05/15/93/527051593.db2.gz VOUIHBLYBVFUPU-INIZCTEOSA-N 1 1 313.426 3.539 20 30 DHEDMO Cc1nc([C@@H]2CCC[N@H+]2CCOc2ccccc2C#N)cs1 ZINC000189845572 527051602 /nfs/dbraw/zinc/05/16/02/527051602.db2.gz VOUIHBLYBVFUPU-INIZCTEOSA-N 1 1 313.426 3.539 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c(-c2ccc(C#N)cc2)n1 ZINC000179985974 527201869 /nfs/dbraw/zinc/20/18/69/527201869.db2.gz VXCMEANFAWGFQY-LPHOPBHVSA-N 1 1 320.440 3.723 20 30 DHEDMO C=CCCCC[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001209200049 1013080159 /nfs/dbraw/zinc/08/01/59/1013080159.db2.gz FTHRSTQUJKFHRR-HOTGVXAUSA-N 1 1 308.466 3.674 20 30 DHEDMO C=CCCCC[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001209200051 1013081881 /nfs/dbraw/zinc/08/18/81/1013081881.db2.gz FTHRSTQUJKFHRR-HZPDHXFCSA-N 1 1 308.466 3.674 20 30 DHEDMO C=CCCCC[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001209200052 1013082524 /nfs/dbraw/zinc/08/25/24/1013082524.db2.gz FTHRSTQUJKFHRR-JKSUJKDBSA-N 1 1 308.466 3.674 20 30 DHEDMO C#CCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001209266847 1013139376 /nfs/dbraw/zinc/13/93/76/1013139376.db2.gz DTNBUFHONOVSAF-UHOSZYNNSA-N 1 1 316.514 3.694 20 30 DHEDMO C#CCCC[N@H+]1C[C@@H]2CCC[C@H](N(C)Cc3cccs3)[C@@H]2C1 ZINC001209266847 1013139384 /nfs/dbraw/zinc/13/93/84/1013139384.db2.gz DTNBUFHONOVSAF-UHOSZYNNSA-N 1 1 316.514 3.694 20 30 DHEDMO C#CCCC[N@@H+]1C[C@@H]2CCC[C@H](N(C)Cc3cccs3)[C@@H]2C1 ZINC001209266847 1013139393 /nfs/dbraw/zinc/13/93/93/1013139393.db2.gz DTNBUFHONOVSAF-UHOSZYNNSA-N 1 1 316.514 3.694 20 30 DHEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000931189811 1032065825 /nfs/dbraw/zinc/06/58/25/1032065825.db2.gz IPZYXMARZQSMMD-CVEARBPZSA-N 1 1 320.502 3.679 20 30 DHEDMO C=CC[N@H+](CCc1ccncc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000519146910 1013283597 /nfs/dbraw/zinc/28/35/97/1013283597.db2.gz DPDVIFDYUJKCLR-UHFFFAOYSA-N 1 1 311.385 3.529 20 30 DHEDMO C=CCCCCCC[N@@H+]1CCC[C@@H](Oc2ncc(C)cn2)C1 ZINC001209438522 1013283781 /nfs/dbraw/zinc/28/37/81/1013283781.db2.gz MWDWBSPZMCAIDO-QGZVFWFLSA-N 1 1 303.450 3.765 20 30 DHEDMO C=CCCCCCCCC[N@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001209442187 1013291002 /nfs/dbraw/zinc/29/10/02/1013291002.db2.gz BJHNSRJICDXNJV-QGZVFWFLSA-N 1 1 319.493 3.882 20 30 DHEDMO C=CCC[C@H](C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000275316483 1013328694 /nfs/dbraw/zinc/32/86/94/1013328694.db2.gz KLVCHWNNYZBLMX-APWZRJJASA-N 1 1 312.457 3.503 20 30 DHEDMO C#CC[N@H+](C[C@@H](O)CCc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001167179042 1013361293 /nfs/dbraw/zinc/36/12/93/1013361293.db2.gz TVFPWYMWSOUNRP-RBBKRZOGSA-N 1 1 319.448 3.603 20 30 DHEDMO C[C@@H]1C[C@H](CCNc2cnccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000519533271 1013368656 /nfs/dbraw/zinc/36/86/56/1013368656.db2.gz VMSZCGHYEOPMKJ-AEFFLSMTSA-N 1 1 320.440 3.666 20 30 DHEDMO N#Cc1cccc2c1CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167970977 1013385709 /nfs/dbraw/zinc/38/57/09/1013385709.db2.gz RFROFVZSPKRCNW-GKTUAVMOSA-N 1 1 321.468 3.541 20 30 DHEDMO N#Cc1cccc2c1CC[C@H]2NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167970977 1013385716 /nfs/dbraw/zinc/38/57/16/1013385716.db2.gz RFROFVZSPKRCNW-GKTUAVMOSA-N 1 1 321.468 3.541 20 30 DHEDMO N#Cc1cccc2c1CC[C@H]2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167970977 1013385727 /nfs/dbraw/zinc/38/57/27/1013385727.db2.gz RFROFVZSPKRCNW-GKTUAVMOSA-N 1 1 321.468 3.541 20 30 DHEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)C[C@H](O)CC1(C#N)CCC1 ZINC001167255738 1013453413 /nfs/dbraw/zinc/45/34/13/1013453413.db2.gz LZEALHWNPQGVFE-MSOLQXFVSA-N 1 1 300.446 3.904 20 30 DHEDMO N#Cc1cc(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)cs1 ZINC000894837868 1013524500 /nfs/dbraw/zinc/52/45/00/1013524500.db2.gz YEBFYQFYZIEHBP-UHFFFAOYSA-N 1 1 304.365 3.572 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)ccc1C#N ZINC000618606687 1013612404 /nfs/dbraw/zinc/61/24/04/1013612404.db2.gz VXJVTCAJDYTVQH-LJQANCHMSA-N 1 1 310.372 3.659 20 30 DHEDMO C=CCCn1cc(COc2cc(C)[nH+]c3cccc(C)c32)nn1 ZINC000655682990 1013642707 /nfs/dbraw/zinc/64/27/07/1013642707.db2.gz YGCMLGPLSLDFCN-UHFFFAOYSA-N 1 1 308.385 3.598 20 30 DHEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000520174783 1013668648 /nfs/dbraw/zinc/66/86/48/1013668648.db2.gz ZVPMCQCBJJEDHN-IEBWSBKVSA-N 1 1 315.461 3.514 20 30 DHEDMO OCCC[N@@H+](CC#Cc1ccccc1Cl)Cc1ccccc1 ZINC000441169215 1013679696 /nfs/dbraw/zinc/67/96/96/1013679696.db2.gz QZMVTUKTZSHWKP-UHFFFAOYSA-N 1 1 313.828 3.576 20 30 DHEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000441181316 1013680911 /nfs/dbraw/zinc/68/09/11/1013680911.db2.gz XWFBCDVWNCOVDO-OAHLLOKOSA-N 1 1 313.828 3.960 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441285200 1013702345 /nfs/dbraw/zinc/70/23/45/1013702345.db2.gz YMKDJBNINRSSAE-SJLPKXTDSA-N 1 1 312.457 3.736 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000177168106 1013711926 /nfs/dbraw/zinc/71/19/26/1013711926.db2.gz YXSZJAHJYISTML-UHFFFAOYSA-N 1 1 312.335 3.601 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cs1 ZINC000894912794 1013739919 /nfs/dbraw/zinc/73/99/19/1013739919.db2.gz HJCYFZPUBHQIID-SFHVURJKSA-N 1 1 324.449 3.973 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cs1 ZINC000894912794 1013739925 /nfs/dbraw/zinc/73/99/25/1013739925.db2.gz HJCYFZPUBHQIID-SFHVURJKSA-N 1 1 324.449 3.973 20 30 DHEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328673713 1013791748 /nfs/dbraw/zinc/79/17/48/1013791748.db2.gz PKXAXEUJYRHQCC-HUUCEWRRSA-N 1 1 323.481 3.743 20 30 DHEDMO CC(C)c1nnc(NC(=O)C[N@@H+]2CC(C)(C)[C@H]3CCC[C@H]32)s1 ZINC000328804853 1013797139 /nfs/dbraw/zinc/79/71/39/1013797139.db2.gz HLYAQJOXZGAOFF-NWDGAFQWSA-N 1 1 322.478 3.760 20 30 DHEDMO CC(C)c1nnc(NC(=O)C[N@H+]2CC(C)(C)[C@H]3CCC[C@H]32)s1 ZINC000328804853 1013797143 /nfs/dbraw/zinc/79/71/43/1013797143.db2.gz HLYAQJOXZGAOFF-NWDGAFQWSA-N 1 1 322.478 3.760 20 30 DHEDMO CS[C@@H]1CCCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000749466292 1013798007 /nfs/dbraw/zinc/79/80/07/1013798007.db2.gz RGJJGSRQYBNDSS-QGZVFWFLSA-N 1 1 304.459 3.545 20 30 DHEDMO Cc1noc(C(C)C)c1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000330401768 1013815019 /nfs/dbraw/zinc/81/50/19/1013815019.db2.gz UIBHNHSFDKPSJV-CQSZACIVSA-N 1 1 307.438 3.531 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCCNc1snc(Cl)c1C#N ZINC000048560430 1013828184 /nfs/dbraw/zinc/82/81/84/1013828184.db2.gz TUWRQSSTDMINFX-NSHDSACASA-N 1 1 312.870 3.735 20 30 DHEDMO C[C@H]1CCC[N@@H+](CCCCNc2snc(Cl)c2C#N)C1 ZINC000048560435 1013828563 /nfs/dbraw/zinc/82/85/63/1013828563.db2.gz ISRYFENQSYTKKM-NSHDSACASA-N 1 1 312.870 3.592 20 30 DHEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H](C)C[C@@H](C)CC)C1 ZINC000330995298 1013851488 /nfs/dbraw/zinc/85/14/88/1013851488.db2.gz WTGYSJKRFZYEPM-ARFHVFGLSA-N 1 1 320.481 3.821 20 30 DHEDMO CCc1cccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000579998018 1013851639 /nfs/dbraw/zinc/85/16/39/1013851639.db2.gz KIMDBTYOWKIFKL-UHFFFAOYSA-N 1 1 308.425 3.769 20 30 DHEDMO CC[C@H](C)n1ncc(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1C ZINC000331068529 1013854862 /nfs/dbraw/zinc/85/48/62/1013854862.db2.gz AVFBBLBEISMGKR-KFWWJZLASA-N 1 1 320.481 3.588 20 30 DHEDMO Cc1noc2ncc(C[N@H+](C)[C@@H](C)c3cccc(C#N)c3)cc12 ZINC000895055056 1013877019 /nfs/dbraw/zinc/87/70/19/1013877019.db2.gz HXIKNUHHGOAPSB-ZDUSSCGKSA-N 1 1 306.369 3.596 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc(OC)c1O ZINC000127369874 1013901489 /nfs/dbraw/zinc/90/14/89/1013901489.db2.gz DVPWANCIJULDJY-KRWDZBQOSA-N 1 1 312.413 3.795 20 30 DHEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000610370047 1013999078 /nfs/dbraw/zinc/99/90/78/1013999078.db2.gz LXMLICMIDDSTTH-UKPHBRMFSA-N 1 1 322.412 3.761 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc2c(s1)CCCC2 ZINC000361748058 1032078215 /nfs/dbraw/zinc/07/82/15/1032078215.db2.gz GIGGMTGSSSDWMT-LLVKDONJSA-N 1 1 315.417 3.883 20 30 DHEDMO NC(=[NH+]OCc1csc(-c2cccs2)n1)C1CCCC1 ZINC000049065793 1014089078 /nfs/dbraw/zinc/08/90/78/1014089078.db2.gz FMXAIODWINCGNE-UHFFFAOYSA-N 1 1 307.444 3.851 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC001167381803 1014092924 /nfs/dbraw/zinc/09/29/24/1014092924.db2.gz QBRAGAALZVPAQZ-NRFANRHFSA-N 1 1 322.452 3.819 20 30 DHEDMO C=CCCn1cc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)nn1 ZINC000846797843 1032083996 /nfs/dbraw/zinc/08/39/96/1032083996.db2.gz XFHNCFFRBXYLPH-SFHVURJKSA-N 1 1 310.445 3.624 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)c1 ZINC000580862143 1014410291 /nfs/dbraw/zinc/41/02/91/1014410291.db2.gz HSHDUUBAMUARHP-HXUWFJFHSA-N 1 1 322.383 3.667 20 30 DHEDMO Cc1ccc(-c2ccccc2C[N@H+]2CC[C@](O)(CC#N)C2)c(C)c1 ZINC000895109216 1014429430 /nfs/dbraw/zinc/42/94/30/1014429430.db2.gz RPRRWHPSVMOURZ-OAQYLSRUSA-N 1 1 320.436 3.821 20 30 DHEDMO CC(C)[C@](C)(C#N)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168012632 1014613483 /nfs/dbraw/zinc/61/34/83/1014613483.db2.gz DGNOCFALDHKCAL-HNJRGHQBSA-N 1 1 313.489 3.956 20 30 DHEDMO Cc1cnc(C(C)(C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)s1 ZINC000175983955 1014620600 /nfs/dbraw/zinc/62/06/00/1014620600.db2.gz DEOPTDRIEUKSDH-GFCCVEGCSA-N 1 1 315.442 3.767 20 30 DHEDMO COCC[N@H+](Cc1cc(C#N)ccc1F)[C@@H](C)c1ccccc1 ZINC000521220890 1014670310 /nfs/dbraw/zinc/67/03/10/1014670310.db2.gz TWOWWXGSAGRJDG-HNNXBMFYSA-N 1 1 312.388 3.907 20 30 DHEDMO COCC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H](C)c1ccccc1 ZINC000521220890 1014670315 /nfs/dbraw/zinc/67/03/15/1014670315.db2.gz TWOWWXGSAGRJDG-HNNXBMFYSA-N 1 1 312.388 3.907 20 30 DHEDMO C#CCOc1ccc(C[N@@H+](CC)Cc2ccccc2)cc1OC ZINC000077252914 1014680379 /nfs/dbraw/zinc/68/03/79/1014680379.db2.gz TVYSCXWLDZFXOB-UHFFFAOYSA-N 1 1 309.409 3.729 20 30 DHEDMO Cc1csc(C[C@@H]2CC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000933135585 1014697465 /nfs/dbraw/zinc/69/74/65/1014697465.db2.gz XESCQPQJOLZCCM-ZBFHGGJFSA-N 1 1 311.454 3.949 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCCc3occc3C2)cc1OC ZINC000558426902 1014726298 /nfs/dbraw/zinc/72/62/98/1014726298.db2.gz NAEWVOMGXWACJH-UHFFFAOYSA-N 1 1 313.397 3.801 20 30 DHEDMO C[C@H]([NH2+]C1(CN[C@H]2CC[C@@H](C#N)C2)CCCC1)c1ccccc1 ZINC000442786884 1014730801 /nfs/dbraw/zinc/73/08/01/1014730801.db2.gz WGRLSEFGNXBBGI-SCTDSRPQSA-N 1 1 311.473 3.932 20 30 DHEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)c(OC)c2)cc1 ZINC000442795223 1014735430 /nfs/dbraw/zinc/73/54/30/1014735430.db2.gz DSWSXYPDPUGJQB-CQSZACIVSA-N 1 1 310.397 3.768 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@@H](c3ccccc3C)C2)ccc1C#N ZINC000442887092 1014762567 /nfs/dbraw/zinc/76/25/67/1014762567.db2.gz WMZHUGGODNRSES-GOSISDBHSA-N 1 1 306.409 3.865 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000442892832 1014765542 /nfs/dbraw/zinc/76/55/42/1014765542.db2.gz FUEBHCWOIQMSHM-UWJYYQICSA-N 1 1 320.436 3.953 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000442892832 1014765548 /nfs/dbraw/zinc/76/55/48/1014765548.db2.gz FUEBHCWOIQMSHM-UWJYYQICSA-N 1 1 320.436 3.953 20 30 DHEDMO COc1cc2c(cc1F)C[N@@H+]([C@@H](C)c1cccc(C#N)c1)CC2 ZINC000442894906 1014766029 /nfs/dbraw/zinc/76/60/29/1014766029.db2.gz CTMYURRRXFZPBF-ZDUSSCGKSA-N 1 1 310.372 3.825 20 30 DHEDMO COc1cc2c(cc1F)C[N@H+]([C@@H](C)c1cccc(C#N)c1)CC2 ZINC000442894906 1014766033 /nfs/dbraw/zinc/76/60/33/1014766033.db2.gz CTMYURRRXFZPBF-ZDUSSCGKSA-N 1 1 310.372 3.825 20 30 DHEDMO COc1ccc(C[N@@H+](CCC(F)(F)F)CC2CC2)cc1C#N ZINC000135138172 1014773090 /nfs/dbraw/zinc/77/30/90/1014773090.db2.gz ZJOPRPWHIWUYLI-UHFFFAOYSA-N 1 1 312.335 3.731 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2ccccc2SC)ccc1C#N ZINC000443066881 1014797515 /nfs/dbraw/zinc/79/75/15/1014797515.db2.gz IMLBHMOBWUJXKQ-UHFFFAOYSA-N 1 1 312.438 3.921 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)cc1Cl ZINC000443062086 1014797722 /nfs/dbraw/zinc/79/77/22/1014797722.db2.gz AFKUIXAWVDUZTK-UKRRQHHQSA-N 1 1 309.837 3.904 20 30 DHEDMO C[N@@H+](CCOc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000487423584 1014807414 /nfs/dbraw/zinc/80/74/14/1014807414.db2.gz YVSZWOKYAYOPDS-UHFFFAOYSA-N 1 1 308.425 3.999 20 30 DHEDMO C=CCOc1ccccc1CNCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000521843782 1014813751 /nfs/dbraw/zinc/81/37/51/1014813751.db2.gz ZSSQRQFAXMUZCF-CALCHBBNSA-N 1 1 302.462 3.604 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]CCN1[C@H](C)CCC[C@@H]1C ZINC000521843782 1014813762 /nfs/dbraw/zinc/81/37/62/1014813762.db2.gz ZSSQRQFAXMUZCF-CALCHBBNSA-N 1 1 302.462 3.604 20 30 DHEDMO CC1(C)CC[C@H](C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)OC1 ZINC001167464603 1014883309 /nfs/dbraw/zinc/88/33/09/1014883309.db2.gz OATVGMPTWNAUMU-QRVBRYPASA-N 1 1 312.457 3.963 20 30 DHEDMO CC1(C)CC[C@H](C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)OC1 ZINC001167464603 1014883318 /nfs/dbraw/zinc/88/33/18/1014883318.db2.gz OATVGMPTWNAUMU-QRVBRYPASA-N 1 1 312.457 3.963 20 30 DHEDMO C[N@H+]1CCC[C@H](c2nc(-c3ccc(C#N)c4ccccc34)no2)C1 ZINC001211877331 1014883633 /nfs/dbraw/zinc/88/36/33/1014883633.db2.gz LHFCIULWVXTBEN-AWEZNQCLSA-N 1 1 318.380 3.571 20 30 DHEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001167464772 1014897221 /nfs/dbraw/zinc/89/72/21/1014897221.db2.gz QNWLQMJSYQDTSM-LDQXTDLNSA-N 1 1 320.436 3.778 20 30 DHEDMO N#Cc1ccc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c(F)c1 ZINC000084134003 1014926483 /nfs/dbraw/zinc/92/64/83/1014926483.db2.gz FSXBUHVNDXCATK-LJQANCHMSA-N 1 1 324.399 3.531 20 30 DHEDMO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)S)C[C@H](C)N1Cc1ccccc1 ZINC001168019716 1014953638 /nfs/dbraw/zinc/95/36/38/1014953638.db2.gz JMZXJZSLVJKDIB-SCAQPMJSSA-N 1 1 306.519 3.726 20 30 DHEDMO C[C@@H]1C[C@@H](NC2(C#N)CCCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168020830 1014971904 /nfs/dbraw/zinc/97/19/04/1014971904.db2.gz NXUBAQKBJUMNRR-IZZQQSIFSA-N 1 1 311.473 3.854 20 30 DHEDMO CCCC[N@@H+](Cc1nc(C#N)cs1)[C@@H]1CCCC[C@H]1OC ZINC000449544250 1014983040 /nfs/dbraw/zinc/98/30/40/1014983040.db2.gz QAHZFWBEXKSWSF-HUUCEWRRSA-N 1 1 307.463 3.574 20 30 DHEDMO N#CCc1cccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000313477078 1015200187 /nfs/dbraw/zinc/20/01/87/1015200187.db2.gz KUSJPWOKZLPPIZ-HXUWFJFHSA-N 1 1 305.425 3.829 20 30 DHEDMO C=CCC[N@H+](C)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000276476469 1015201902 /nfs/dbraw/zinc/20/19/02/1015201902.db2.gz SHQJIAUMEVOFKY-UHFFFAOYSA-N 1 1 318.442 3.835 20 30 DHEDMO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000051158812 1015210750 /nfs/dbraw/zinc/21/07/50/1015210750.db2.gz MDSLRIZRXUZMRC-VXGBXAGGSA-N 1 1 319.430 3.969 20 30 DHEDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1ccccc1C#N ZINC000025357553 1015249522 /nfs/dbraw/zinc/24/95/22/1015249522.db2.gz DIYFNHFCVPZAOW-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1ccccc1C#N ZINC000025357553 1015249526 /nfs/dbraw/zinc/24/95/26/1015249526.db2.gz DIYFNHFCVPZAOW-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3cc(C#N)ccn3)cc2)C1 ZINC000341526147 1015436460 /nfs/dbraw/zinc/43/64/60/1015436460.db2.gz CLIQQGDMUWLGKV-MRXNPFEDSA-N 1 1 320.440 3.797 20 30 DHEDMO C[C@@H]1CC([NH+]2CCC(C#N)CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001168039023 1015495239 /nfs/dbraw/zinc/49/52/39/1015495239.db2.gz AYSYVHMSZIMLLY-IAGOWNOFSA-N 1 1 311.473 3.664 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCCNc1nccc(C#N)c1Cl ZINC000341549334 1015509695 /nfs/dbraw/zinc/50/96/95/1015509695.db2.gz OUJLLAWWBGCKQI-ZDUSSCGKSA-N 1 1 306.841 3.673 20 30 DHEDMO C=CCCCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000474682731 1015538981 /nfs/dbraw/zinc/53/89/81/1015538981.db2.gz UPEYLTYJVHMVIF-GOSISDBHSA-N 1 1 300.446 3.514 20 30 DHEDMO C=CCCCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000474682732 1015539216 /nfs/dbraw/zinc/53/92/16/1015539216.db2.gz UPEYLTYJVHMVIF-SFHVURJKSA-N 1 1 300.446 3.514 20 30 DHEDMO CC[N@@H+](C[C@H](C)C#N)C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000891716651 1015562298 /nfs/dbraw/zinc/56/22/98/1015562298.db2.gz VIPRMBKBABWUBP-QAPCUYQASA-N 1 1 323.481 3.505 20 30 DHEDMO CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C[C@@H](C)C#N ZINC000098134625 1015579187 /nfs/dbraw/zinc/57/91/87/1015579187.db2.gz AUGQMTJSAMRRKI-LBPRGKRZSA-N 1 1 300.324 3.609 20 30 DHEDMO CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C[C@@H](C)C#N ZINC000098134625 1015579196 /nfs/dbraw/zinc/57/91/96/1015579196.db2.gz AUGQMTJSAMRRKI-LBPRGKRZSA-N 1 1 300.324 3.609 20 30 DHEDMO C[C@@H]1CCCC[N@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141895031 1015597591 /nfs/dbraw/zinc/59/75/91/1015597591.db2.gz YQONCFYEGHMNSU-GFCCVEGCSA-N 1 1 307.235 3.943 20 30 DHEDMO C[C@@H]1CCCC[N@@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141895031 1015597603 /nfs/dbraw/zinc/59/76/03/1015597603.db2.gz YQONCFYEGHMNSU-GFCCVEGCSA-N 1 1 307.235 3.943 20 30 DHEDMO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cc(C#N)cs1 ZINC000185638348 1015601007 /nfs/dbraw/zinc/60/10/07/1015601007.db2.gz SVIMVBRUJUXOHR-UHFFFAOYSA-N 1 1 310.426 3.531 20 30 DHEDMO COc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1F ZINC000428301061 1015603444 /nfs/dbraw/zinc/60/34/44/1015603444.db2.gz JANVUHJYCSRBPS-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000896505587 1015611523 /nfs/dbraw/zinc/61/15/23/1015611523.db2.gz OKZDSJGLUUMNEO-QGZVFWFLSA-N 1 1 322.408 3.707 20 30 DHEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000896505587 1015611527 /nfs/dbraw/zinc/61/15/27/1015611527.db2.gz OKZDSJGLUUMNEO-QGZVFWFLSA-N 1 1 322.408 3.707 20 30 DHEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(-c2cccs2)on1 ZINC000329207440 1015660216 /nfs/dbraw/zinc/66/02/16/1015660216.db2.gz FEOWCCMDJKZTPX-LBPRGKRZSA-N 1 1 319.430 3.582 20 30 DHEDMO C[C@H](NC(=O)CC1CCCCC1)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000329216941 1015661351 /nfs/dbraw/zinc/66/13/51/1015661351.db2.gz PIBDLFTVGQCQEL-AWEZNQCLSA-N 1 1 321.465 3.520 20 30 DHEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1coc(C2CCCC2)n1 ZINC000329218146 1015661392 /nfs/dbraw/zinc/66/13/92/1015661392.db2.gz RKERRMWZXYHVNJ-AWEZNQCLSA-N 1 1 305.422 3.511 20 30 DHEDMO CCSc1nnc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)s1 ZINC000329226360 1015662685 /nfs/dbraw/zinc/66/26/85/1015662685.db2.gz AJIRAYGSYFVHMY-JTQLQIEISA-N 1 1 314.480 3.503 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000610705495 1015724742 /nfs/dbraw/zinc/72/47/42/1015724742.db2.gz BKDOQPUJTBFADY-SFHVURJKSA-N 1 1 322.408 3.610 20 30 DHEDMO CC(C)[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000341806907 1015742282 /nfs/dbraw/zinc/74/22/82/1015742282.db2.gz HNJLILBOFNMTKK-LBPRGKRZSA-N 1 1 307.825 3.517 20 30 DHEDMO CCC(CC)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000098110841 1015754020 /nfs/dbraw/zinc/75/40/20/1015754020.db2.gz DAQCVGJKLCDDIZ-AWEZNQCLSA-N 1 1 301.434 3.643 20 30 DHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(C#N)cc2F)C1 ZINC000538099568 1015762800 /nfs/dbraw/zinc/76/28/00/1015762800.db2.gz VQLBYOHOHOODSS-PBHICJAKSA-N 1 1 309.388 3.945 20 30 DHEDMO CC(C)[N@@H+](CCc1nccs1)Cc1cccc(F)c1C#N ZINC000428306036 1015759161 /nfs/dbraw/zinc/75/91/61/1015759161.db2.gz NULAWTDTLHVYMR-UHFFFAOYSA-N 1 1 303.406 3.607 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC000475023738 1015774827 /nfs/dbraw/zinc/77/48/27/1015774827.db2.gz OIUHMRZQCLKWQM-AQNXPRMDSA-N 1 1 312.457 3.699 20 30 DHEDMO CSc1nc(C[N@@H+](C)CCc2cccc(C)c2)ccc1C#N ZINC001141941596 1015786050 /nfs/dbraw/zinc/78/60/50/1015786050.db2.gz PZZUWTOVSFSVHN-UHFFFAOYSA-N 1 1 311.454 3.658 20 30 DHEDMO CC[N@@H+](C[C@@H](O)C1CCCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000475047403 1015802342 /nfs/dbraw/zinc/80/23/42/1015802342.db2.gz MNLSWZKMCLXBNO-HNAYVOBHSA-N 1 1 300.446 3.882 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000341999994 1015867072 /nfs/dbraw/zinc/86/70/72/1015867072.db2.gz XHSAFCZBHSYZHZ-CXAGYDPISA-N 1 1 322.399 3.595 20 30 DHEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1cnn(Cc2ccccc2)c1 ZINC000119425199 1015885967 /nfs/dbraw/zinc/88/59/67/1015885967.db2.gz QECFXTNSHDISDK-INIZCTEOSA-N 1 1 316.408 3.654 20 30 DHEDMO CC(C)[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000535825579 1015893582 /nfs/dbraw/zinc/89/35/82/1015893582.db2.gz HBCFMFCJEHCEFR-SFHVURJKSA-N 1 1 322.456 3.942 20 30 DHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@H]1CC[C@H](CC)C1)CCO2 ZINC001173282442 1033674356 /nfs/dbraw/zinc/67/43/56/1033674356.db2.gz YNHVENMXTQUTLK-ZSYWTGECSA-N 1 1 307.478 3.639 20 30 DHEDMO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610992901 1015993362 /nfs/dbraw/zinc/99/33/62/1015993362.db2.gz RCTSYLDCJMGLFH-GOSISDBHSA-N 1 1 307.397 3.689 20 30 DHEDMO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610992901 1015993367 /nfs/dbraw/zinc/99/33/67/1015993367.db2.gz RCTSYLDCJMGLFH-GOSISDBHSA-N 1 1 307.397 3.689 20 30 DHEDMO C[N@H+](Cc1ccnc(C#N)c1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000610992281 1015996539 /nfs/dbraw/zinc/99/65/39/1015996539.db2.gz RHSUQTWTYQHYGX-AZUAARDMSA-N 1 1 321.424 3.553 20 30 DHEDMO COc1cccc(C[N@H+](Cc2ccnc(C#N)c2)CC(C)C)c1 ZINC000610992248 1016000353 /nfs/dbraw/zinc/00/03/53/1016000353.db2.gz NNZKWNOUJABNTE-UHFFFAOYSA-N 1 1 309.413 3.620 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)ccn1 ZINC000610993184 1016005268 /nfs/dbraw/zinc/00/52/68/1016005268.db2.gz GZABEDGRBPOFGD-QGZVFWFLSA-N 1 1 316.408 3.814 20 30 DHEDMO COc1ccc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)cc1C#N ZINC000610993105 1016006146 /nfs/dbraw/zinc/00/61/46/1016006146.db2.gz DEFUPDDDIKOFHL-LJQANCHMSA-N 1 1 324.449 3.857 20 30 DHEDMO COc1ccc([C@@H](C)C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000539407988 1016333898 /nfs/dbraw/zinc/33/38/98/1016333898.db2.gz TVUMIQHJRSJHPB-AWEZNQCLSA-N 1 1 312.388 3.941 20 30 DHEDMO CC(C)[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)N1CCC(C)CC1 ZINC000539499725 1016345364 /nfs/dbraw/zinc/34/53/64/1016345364.db2.gz NORNQJAUBHIMFD-YLJYHZDGSA-N 1 1 313.489 3.965 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@H]1CCCCC1(F)F ZINC000451036508 1016381803 /nfs/dbraw/zinc/38/18/03/1016381803.db2.gz FPEQMROXLQWCHH-QGZVFWFLSA-N 1 1 322.399 3.832 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@@H](C)C2CC2)cc1OCCCC#N ZINC000158100623 1016416964 /nfs/dbraw/zinc/41/69/64/1016416964.db2.gz IASBZUVHVLBPGK-AWEZNQCLSA-N 1 1 302.418 3.608 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(F)c(OC(F)(F)F)c2)C1 ZINC001143441550 1016460535 /nfs/dbraw/zinc/46/05/35/1016460535.db2.gz ABKZLDWPRVLJMY-NSHDSACASA-N 1 1 301.283 3.570 20 30 DHEDMO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000171953066 1016622638 /nfs/dbraw/zinc/62/26/38/1016622638.db2.gz CQBPJGHENWNESM-ZDUSSCGKSA-N 1 1 306.837 3.873 20 30 DHEDMO C=CC[C@@H]1CC[N@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000934461817 1016739863 /nfs/dbraw/zinc/73/98/63/1016739863.db2.gz ATYWWCKOORTXSL-LLVKDONJSA-N 1 1 307.191 3.741 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000934461817 1016739871 /nfs/dbraw/zinc/73/98/71/1016739871.db2.gz ATYWWCKOORTXSL-LLVKDONJSA-N 1 1 307.191 3.741 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000934469592 1016755447 /nfs/dbraw/zinc/75/54/47/1016755447.db2.gz VUMXCHFFFYQBQF-AWEZNQCLSA-N 1 1 303.793 3.583 20 30 DHEDMO COc1cc(C#N)ccc1C[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185283276 1016814106 /nfs/dbraw/zinc/81/41/06/1016814106.db2.gz UVUINXBYECCQSR-INIZCTEOSA-N 1 1 313.426 3.573 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)ccc1F ZINC000119886356 1016831271 /nfs/dbraw/zinc/83/12/71/1016831271.db2.gz OYWHVCMFMHOGDV-KRWDZBQOSA-N 1 1 324.355 3.763 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)ccc1F ZINC000119886356 1016831279 /nfs/dbraw/zinc/83/12/79/1016831279.db2.gz OYWHVCMFMHOGDV-KRWDZBQOSA-N 1 1 324.355 3.763 20 30 DHEDMO Cc1cnc([C@@H]([NH2+]Cc2ccc(F)c(C#N)c2)C2CC2)s1 ZINC000185358364 1016875240 /nfs/dbraw/zinc/87/52/40/1016875240.db2.gz YXGWZDSSOBLSED-HNNXBMFYSA-N 1 1 301.390 3.703 20 30 DHEDMO CC[C@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000342634132 1016888379 /nfs/dbraw/zinc/88/83/79/1016888379.db2.gz OSAYAUZPNPCLAQ-HXUWFJFHSA-N 1 1 308.425 3.526 20 30 DHEDMO C=CCCOCCCCC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000342640806 1016900921 /nfs/dbraw/zinc/90/09/21/1016900921.db2.gz YGBMNKLGIUZIKA-UHFFFAOYSA-N 1 1 301.390 3.573 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCc2nccc(Br)c2C1 ZINC000623287100 1016946424 /nfs/dbraw/zinc/94/64/24/1016946424.db2.gz PEHYFQQGUJZFLI-LBPRGKRZSA-N 1 1 309.251 3.947 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCc2nccc(Br)c2C1 ZINC000623287099 1016946447 /nfs/dbraw/zinc/94/64/47/1016946447.db2.gz PEHYFQQGUJZFLI-GFCCVEGCSA-N 1 1 309.251 3.947 20 30 DHEDMO C[C@@H]1C[C@@H](N2CC[C@](C)(C#N)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168056198 1016953022 /nfs/dbraw/zinc/95/30/22/1016953022.db2.gz CYQQDIDDRYZCDH-PIKOESSRSA-N 1 1 311.473 3.664 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000186166440 1017035057 /nfs/dbraw/zinc/03/50/57/1017035057.db2.gz VTELBNKZAYSXOA-UHFFFAOYSA-N 1 1 321.424 3.554 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000186166440 1017035066 /nfs/dbraw/zinc/03/50/66/1017035066.db2.gz VTELBNKZAYSXOA-UHFFFAOYSA-N 1 1 321.424 3.554 20 30 DHEDMO C#CC[N@H+](Cc1cc(=O)oc2cc(C)c(C(C)C)cc12)C1CC1 ZINC000763950024 1017038319 /nfs/dbraw/zinc/03/83/19/1017038319.db2.gz IBONPMPQLJFENX-UHFFFAOYSA-N 1 1 309.409 3.822 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000523007204 1017042950 /nfs/dbraw/zinc/04/29/50/1017042950.db2.gz BVNKOSKYVXAKBE-MRXNPFEDSA-N 1 1 314.473 3.641 20 30 DHEDMO C[N@H+]1CC[C@H](NCC#Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623439598 1017048985 /nfs/dbraw/zinc/04/89/85/1017048985.db2.gz QDISCDYIXIDNQQ-INIZCTEOSA-N 1 1 324.390 3.519 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000847005958 1032176128 /nfs/dbraw/zinc/17/61/28/1032176128.db2.gz ZZGHDPQAAOHWHH-LLVKDONJSA-N 1 1 303.768 3.939 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000847005958 1032176135 /nfs/dbraw/zinc/17/61/35/1032176135.db2.gz ZZGHDPQAAOHWHH-LLVKDONJSA-N 1 1 303.768 3.939 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000847022158 1032181120 /nfs/dbraw/zinc/18/11/20/1032181120.db2.gz FTMIEYFUIRNCNN-ZDUSSCGKSA-N 1 1 300.789 3.840 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000847022158 1032181126 /nfs/dbraw/zinc/18/11/26/1032181126.db2.gz FTMIEYFUIRNCNN-ZDUSSCGKSA-N 1 1 300.789 3.840 20 30 DHEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000847023117 1032181220 /nfs/dbraw/zinc/18/12/20/1032181220.db2.gz KYEBZZVDWQVNPQ-SJORKVTESA-N 1 1 312.457 3.791 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000847023117 1032181224 /nfs/dbraw/zinc/18/12/24/1032181224.db2.gz KYEBZZVDWQVNPQ-SJORKVTESA-N 1 1 312.457 3.791 20 30 DHEDMO C=CCCC[N@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000523010337 1017071526 /nfs/dbraw/zinc/07/15/26/1017071526.db2.gz BPLHCNMKVVQPFR-UHFFFAOYSA-N 1 1 312.207 3.576 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccn(C)n2)cc1 ZINC000840815046 1017078083 /nfs/dbraw/zinc/07/80/83/1017078083.db2.gz BJDOFFLUAGXYMC-ZIAGYGMSSA-N 1 1 319.836 3.963 20 30 DHEDMO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000537625473 1032321808 /nfs/dbraw/zinc/32/18/08/1032321808.db2.gz IRYMSZIICSUWRF-WOJBJXKFSA-N 1 1 306.409 3.967 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000537625473 1032321820 /nfs/dbraw/zinc/32/18/20/1032321820.db2.gz IRYMSZIICSUWRF-WOJBJXKFSA-N 1 1 306.409 3.967 20 30 DHEDMO C=C(CC(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001148388080 1032390654 /nfs/dbraw/zinc/39/06/54/1032390654.db2.gz KNCDESGBCAYPJY-MJGOQNOKSA-N 1 1 314.473 3.616 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2nnc(-c3ccco3)o2)CCCC1(C)C ZINC000277762000 1017084061 /nfs/dbraw/zinc/08/40/61/1017084061.db2.gz MHOAOQRPYAYJCV-AWEZNQCLSA-N 1 1 301.390 3.896 20 30 DHEDMO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000092588090 1032504455 /nfs/dbraw/zinc/50/44/55/1032504455.db2.gz UGPZZUSUEBTOQV-ZWKOTPCHSA-N 1 1 305.510 3.903 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(C)(C)CCC#N)C1 ZINC000092588090 1032504460 /nfs/dbraw/zinc/50/44/60/1032504460.db2.gz UGPZZUSUEBTOQV-ZWKOTPCHSA-N 1 1 305.510 3.903 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@H]1CCc3c(F)cc(F)cc3C1)C2 ZINC001171366142 1032517456 /nfs/dbraw/zinc/51/74/56/1032517456.db2.gz KVUBJMMCPSAHGX-SFHVURJKSA-N 1 1 324.374 3.752 20 30 DHEDMO CC(C)CC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000093100875 1032523064 /nfs/dbraw/zinc/52/30/64/1032523064.db2.gz CULVSNTZJUXYLN-UHFFFAOYSA-N 1 1 314.408 3.978 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000093100875 1032523071 /nfs/dbraw/zinc/52/30/71/1032523071.db2.gz CULVSNTZJUXYLN-UHFFFAOYSA-N 1 1 314.408 3.978 20 30 DHEDMO CC(C)c1[nH+]c(CN=Nc2nccnc2C(C)C)c2ccccn21 ZINC000773078827 1032550012 /nfs/dbraw/zinc/55/00/12/1032550012.db2.gz OTADKDZGRSOTJE-UHFFFAOYSA-N 1 1 322.416 3.817 20 30 DHEDMO Cc1cc([C@@H]2C[N@H+](CC(C)(C)CCC#N)CCO2)ccc1F ZINC000093637844 1032547590 /nfs/dbraw/zinc/54/75/90/1032547590.db2.gz BKNHVURIDHWBLH-KRWDZBQOSA-N 1 1 304.409 3.837 20 30 DHEDMO Cc1cc([C@@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)ccc1F ZINC000093637844 1032547594 /nfs/dbraw/zinc/54/75/94/1032547594.db2.gz BKNHVURIDHWBLH-KRWDZBQOSA-N 1 1 304.409 3.837 20 30 DHEDMO C=CCn1cc(C[NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)nn1 ZINC000424294897 1011963183 /nfs/dbraw/zinc/96/31/83/1011963183.db2.gz LSGSRFFUMPOQFY-QGZVFWFLSA-N 1 1 316.424 3.870 20 30 DHEDMO CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000424318226 1011976496 /nfs/dbraw/zinc/97/64/96/1011976496.db2.gz CUHCAFLNUVZHSB-DOTOQJQBSA-N 1 1 305.510 3.947 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC(F)(F)F)cc1 ZINC001204415576 1012034656 /nfs/dbraw/zinc/03/46/56/1012034656.db2.gz UMEXDNKWYKYDLB-ZSOGYDGISA-N 1 1 310.319 3.852 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000424661043 1012085375 /nfs/dbraw/zinc/08/53/75/1012085375.db2.gz DUIHRJWVEAIGKV-SJORKVTESA-N 1 1 306.494 3.702 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000424699259 1012109844 /nfs/dbraw/zinc/10/98/44/1012109844.db2.gz BJZSNLGJAYPPQP-AEFFLSMTSA-N 1 1 314.473 3.758 20 30 DHEDMO NC(CCCc1ccccc1)=[NH+]OCc1ccc(Cl)cn1 ZINC000120207505 1012212236 /nfs/dbraw/zinc/21/22/36/1012212236.db2.gz FKEPGFRLQFZBEQ-UHFFFAOYSA-N 1 1 303.793 3.547 20 30 DHEDMO C[C@]12CC[N@H+](Cc3csc(C#N)c3)C[C@H]1C2(Cl)Cl ZINC000894296121 1012231029 /nfs/dbraw/zinc/23/10/29/1012231029.db2.gz USJKUNSKXPUXGG-NEPJUHHUSA-N 1 1 301.242 3.635 20 30 DHEDMO C[C@]12CC[N@@H+](Cc3csc(C#N)c3)C[C@H]1C2(Cl)Cl ZINC000894296121 1012231040 /nfs/dbraw/zinc/23/10/40/1012231040.db2.gz USJKUNSKXPUXGG-NEPJUHHUSA-N 1 1 301.242 3.635 20 30 DHEDMO C=CCCn1cc(CSCc2c(C)cc(C)[nH+]c2C)nn1 ZINC000601057027 1012368720 /nfs/dbraw/zinc/36/87/20/1012368720.db2.gz KXUTXFLCMNKQIP-UHFFFAOYSA-N 1 1 302.447 3.608 20 30 DHEDMO N#Cc1ccc(S[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000425274868 1012401480 /nfs/dbraw/zinc/40/14/80/1012401480.db2.gz BCSWJENXJRDOSW-KRWDZBQOSA-N 1 1 309.438 3.710 20 30 DHEDMO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1noc(Cc2ccccc2)n1 ZINC000514776410 1012436207 /nfs/dbraw/zinc/43/62/07/1012436207.db2.gz LQYAHRGITXOTJH-ICXUMSERSA-N 1 1 324.428 3.783 20 30 DHEDMO CC[C@@H](c1ccccc1)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000126968405 1012505270 /nfs/dbraw/zinc/50/52/70/1012505270.db2.gz ZEAGJUFIPPOCPR-IBGZPJMESA-N 1 1 320.440 3.617 20 30 DHEDMO N#Cc1cccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000126980972 1012509493 /nfs/dbraw/zinc/50/94/93/1012509493.db2.gz ZFLRNFFXDMIEJP-UHFFFAOYSA-N 1 1 307.353 3.631 20 30 DHEDMO C=CC[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](C[C@H](CC)CCCC)C2 ZINC001269959212 1012512016 /nfs/dbraw/zinc/51/20/16/1012512016.db2.gz BTFRSBUCTQDXFJ-QZTJIDSGSA-N 1 1 320.521 3.949 20 30 DHEDMO CC(=O)N1CCC(C[N@@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001208674958 1012528919 /nfs/dbraw/zinc/52/89/19/1012528919.db2.gz AGLGTEUSDZFOGT-UHFFFAOYSA-N 1 1 319.493 3.573 20 30 DHEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000127074482 1012604741 /nfs/dbraw/zinc/60/47/41/1012604741.db2.gz WDHALORFKGAZLE-HNNXBMFYSA-N 1 1 310.397 3.726 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000154267712 1012629843 /nfs/dbraw/zinc/62/98/43/1012629843.db2.gz XZNDRDYTPQKADX-UHFFFAOYSA-N 1 1 313.382 3.693 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000154267712 1012629854 /nfs/dbraw/zinc/62/98/54/1012629854.db2.gz XZNDRDYTPQKADX-UHFFFAOYSA-N 1 1 313.382 3.693 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(Br)cc1C#N)c1cccnc1 ZINC000336811865 1012676080 /nfs/dbraw/zinc/67/60/80/1012676080.db2.gz OUJPVJVXMGBQJM-NSHDSACASA-N 1 1 316.202 3.567 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425497049 1012700151 /nfs/dbraw/zinc/70/01/51/1012700151.db2.gz BULUDEXMWVTRSA-RBUKOAKNSA-N 1 1 311.473 3.523 20 30 DHEDMO CC(C)(C#N)CCCN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425497049 1012700165 /nfs/dbraw/zinc/70/01/65/1012700165.db2.gz BULUDEXMWVTRSA-RBUKOAKNSA-N 1 1 311.473 3.523 20 30 DHEDMO CC(C)(C#N)CCCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425497049 1012700182 /nfs/dbraw/zinc/70/01/82/1012700182.db2.gz BULUDEXMWVTRSA-RBUKOAKNSA-N 1 1 311.473 3.523 20 30 DHEDMO C[C@@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)[C@H](C)C1 ZINC000425526814 1012728841 /nfs/dbraw/zinc/72/88/41/1012728841.db2.gz XYBSURZATATCJK-HZPDHXFCSA-N 1 1 323.440 3.858 20 30 DHEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1ccc(N2CCCC2)cc1 ZINC001208925979 1012827543 /nfs/dbraw/zinc/82/75/43/1012827543.db2.gz BIJMWPACAKCOLR-UHFFFAOYSA-N 1 1 319.452 3.833 20 30 DHEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1cccc2cccnc21 ZINC001208926263 1012828087 /nfs/dbraw/zinc/82/80/87/1012828087.db2.gz NMADUJGCCMWSCX-UHFFFAOYSA-N 1 1 301.393 3.781 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CN[C@@H](C)c1cc(C)ccn1)C(C)C ZINC000517046490 1012898223 /nfs/dbraw/zinc/89/82/23/1012898223.db2.gz ZRLSXTGKDAFFQP-HKUYNNGSSA-N 1 1 301.478 3.739 20 30 DHEDMO C=CC[N@@H+](CCC(=O)NCC1CCCCC1)Cc1cccs1 ZINC000517530693 1013003586 /nfs/dbraw/zinc/00/35/86/1013003586.db2.gz XZUCVYQMGVAGLH-UHFFFAOYSA-N 1 1 320.502 3.823 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](CN[C@H]1CCCc2cccnc21)C(C)C ZINC000684954018 1017089652 /nfs/dbraw/zinc/08/96/52/1017089652.db2.gz OBGCEDIACPZOJQ-RBUKOAKNSA-N 1 1 313.489 3.747 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000186312353 1017130307 /nfs/dbraw/zinc/13/03/07/1017130307.db2.gz LDHUMNVJHHJIGT-OAQYLSRUSA-N 1 1 320.436 3.640 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000186317029 1017145565 /nfs/dbraw/zinc/14/55/65/1017145565.db2.gz DECQNAQYSVZEDO-KRWDZBQOSA-N 1 1 308.425 3.640 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000248238245 1017207846 /nfs/dbraw/zinc/20/78/46/1017207846.db2.gz NMVIKFYAENLQHA-QGZVFWFLSA-N 1 1 314.473 3.712 20 30 DHEDMO CCc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046519153 1017209918 /nfs/dbraw/zinc/20/99/18/1017209918.db2.gz VQIWDECFEFCYRF-HNNXBMFYSA-N 1 1 321.424 3.580 20 30 DHEDMO CCc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000046519153 1017209928 /nfs/dbraw/zinc/20/99/28/1017209928.db2.gz VQIWDECFEFCYRF-HNNXBMFYSA-N 1 1 321.424 3.580 20 30 DHEDMO CSc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)s1 ZINC001142018857 1017210082 /nfs/dbraw/zinc/21/00/82/1017210082.db2.gz ZBNUDVJEFBLHGC-UHFFFAOYSA-N 1 1 300.452 3.900 20 30 DHEDMO CSc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)s1 ZINC001142018857 1017210086 /nfs/dbraw/zinc/21/00/86/1017210086.db2.gz ZBNUDVJEFBLHGC-UHFFFAOYSA-N 1 1 300.452 3.900 20 30 DHEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000179926729 1017327067 /nfs/dbraw/zinc/32/70/67/1017327067.db2.gz NMCSHFKJRPLKAR-CYBMUJFWSA-N 1 1 301.336 3.676 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCOC(=O)C(=C)C)cc1 ZINC001168077103 1017514384 /nfs/dbraw/zinc/51/43/84/1017514384.db2.gz RFNAIXCZUZPRTF-SFHVURJKSA-N 1 1 314.429 3.541 20 30 DHEDMO Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000046528416 1017579712 /nfs/dbraw/zinc/57/97/12/1017579712.db2.gz LHNZXPUUBIJXNZ-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000046528416 1017579725 /nfs/dbraw/zinc/57/97/25/1017579725.db2.gz LHNZXPUUBIJXNZ-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444602210 1017589071 /nfs/dbraw/zinc/58/90/71/1017589071.db2.gz YZTJJIIWHBWDHC-IRXDYDNUSA-N 1 1 321.509 3.723 20 30 DHEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444614876 1017590573 /nfs/dbraw/zinc/59/05/73/1017590573.db2.gz XMIQMOJZEXOBEF-IRXDYDNUSA-N 1 1 321.509 3.723 20 30 DHEDMO COC(=O)c1ccc(C[N@@H+](C)CCCCC(C)(C)C#N)cc1 ZINC000444649588 1017604623 /nfs/dbraw/zinc/60/46/23/1017604623.db2.gz QMBJICRNUJSXEN-UHFFFAOYSA-N 1 1 302.418 3.625 20 30 DHEDMO CC(C)(O)C[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000444671607 1017621463 /nfs/dbraw/zinc/62/14/63/1017621463.db2.gz CQXPVBSBHSTCRS-UHFFFAOYSA-N 1 1 302.462 3.980 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)cc2cccnc21 ZINC000046529289 1017623407 /nfs/dbraw/zinc/62/34/07/1017623407.db2.gz OTEDMNSFIQFPJS-UHFFFAOYSA-N 1 1 305.356 3.878 20 30 DHEDMO C=CC[C@H]1[N@H+](CC[S@](=O)c2ccccc2)CCCC1(C)C ZINC000444779769 1017661430 /nfs/dbraw/zinc/66/14/30/1017661430.db2.gz LNRNGZGPVOFEOQ-UTKZUKDTSA-N 1 1 305.487 3.861 20 30 DHEDMO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CCCCC(C)(C)C#N ZINC000444774675 1017670791 /nfs/dbraw/zinc/67/07/91/1017670791.db2.gz KCXYOLJPZPRLKY-SFHVURJKSA-N 1 1 308.466 3.904 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)cc1F ZINC000857912423 1032715572 /nfs/dbraw/zinc/71/55/72/1032715572.db2.gz BGJFHFZEWXZTHO-CQSZACIVSA-N 1 1 301.752 3.523 20 30 DHEDMO C=CCCCCCN(C)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000523519602 1017722783 /nfs/dbraw/zinc/72/27/83/1017722783.db2.gz STPQEMBKZSFJNB-CALCHBBNSA-N 1 1 309.498 3.637 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000625700095 1017778607 /nfs/dbraw/zinc/77/86/07/1017778607.db2.gz IZYIPSJIXUYLOI-GFCCVEGCSA-N 1 1 303.793 3.788 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000625701389 1017780455 /nfs/dbraw/zinc/78/04/55/1017780455.db2.gz QRYIFFTXKKYDSU-ZDUSSCGKSA-N 1 1 301.365 3.582 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000625699986 1017781619 /nfs/dbraw/zinc/78/16/19/1017781619.db2.gz GHMBSJHIVNGMKH-GFCCVEGCSA-N 1 1 303.793 3.788 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000625703997 1017783539 /nfs/dbraw/zinc/78/35/39/1017783539.db2.gz QOCYVKDDSNOKFC-GFCCVEGCSA-N 1 1 303.793 3.788 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000625703998 1017784294 /nfs/dbraw/zinc/78/42/94/1017784294.db2.gz QOCYVKDDSNOKFC-LBPRGKRZSA-N 1 1 303.793 3.788 20 30 DHEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CCOc1ccccc1C#N ZINC000445267531 1017802377 /nfs/dbraw/zinc/80/23/77/1017802377.db2.gz XGUXVOCIFVSTHZ-HNNXBMFYSA-N 1 1 312.388 3.639 20 30 DHEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1nc2c(cc1C#N)CCC2 ZINC000523857230 1017815374 /nfs/dbraw/zinc/81/53/74/1017815374.db2.gz JNAQNXBLRAUERU-QGZVFWFLSA-N 1 1 312.461 3.508 20 30 DHEDMO CC1(C)CCCN(c2cc[nH+]c(NCc3ccccc3C#N)n2)C1 ZINC001167635838 1017823321 /nfs/dbraw/zinc/82/33/21/1017823321.db2.gz UNHIPHUPJHIBKG-UHFFFAOYSA-N 1 1 321.428 3.587 20 30 DHEDMO N#Cc1ccc(CNC[C@H](c2ccccc2)[NH+]2CCCC2)c(F)c1 ZINC000342946853 1017874095 /nfs/dbraw/zinc/87/40/95/1017874095.db2.gz NBYWBECJNKNXPE-HXUWFJFHSA-N 1 1 323.415 3.624 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000091511199 1017893372 /nfs/dbraw/zinc/89/33/72/1017893372.db2.gz GUFIWDWDKILXJZ-MRXNPFEDSA-N 1 1 318.436 3.718 20 30 DHEDMO C=CCC(CC=C)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000126039829 1032733622 /nfs/dbraw/zinc/73/36/22/1032733622.db2.gz XXMSWIINFFRQFP-UHFFFAOYSA-N 1 1 300.446 3.523 20 30 DHEDMO Cc1nsc(NC[C@H]2CCC[N@H+]2C2CCCCC2)c1C#N ZINC000343072001 1018089218 /nfs/dbraw/zinc/08/92/18/1018089218.db2.gz RUVMLVJETNWPCI-CQSZACIVSA-N 1 1 304.463 3.532 20 30 DHEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccc(F)cc1C#N ZINC000441035796 1018151798 /nfs/dbraw/zinc/15/17/98/1018151798.db2.gz PUAUPJAXJDOIJO-BFUOFWGJSA-N 1 1 310.372 3.521 20 30 DHEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000441035796 1018151805 /nfs/dbraw/zinc/15/18/05/1018151805.db2.gz PUAUPJAXJDOIJO-BFUOFWGJSA-N 1 1 310.372 3.521 20 30 DHEDMO CC[N@@H+](CC(C)C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764187397 1018189923 /nfs/dbraw/zinc/18/99/23/1018189923.db2.gz KBMBLTUWNRXSDE-QGZVFWFLSA-N 1 1 315.461 3.608 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000245569199 1018222747 /nfs/dbraw/zinc/22/27/47/1018222747.db2.gz VYYSWSGXBVWYDQ-CVEARBPZSA-N 1 1 317.502 3.706 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000446842863 1018270788 /nfs/dbraw/zinc/27/07/88/1018270788.db2.gz IDCWTPIXDZYXCM-QGZVFWFLSA-N 1 1 306.409 3.865 20 30 DHEDMO C#CC[N@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)C1CCCC1 ZINC000155804441 1018352599 /nfs/dbraw/zinc/35/25/99/1018352599.db2.gz RZTAXLATTOTVNC-UHFFFAOYSA-N 1 1 305.381 3.591 20 30 DHEDMO C#CC[N@@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)C1CCCC1 ZINC000155804441 1018352614 /nfs/dbraw/zinc/35/26/14/1018352614.db2.gz RZTAXLATTOTVNC-UHFFFAOYSA-N 1 1 305.381 3.591 20 30 DHEDMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000173832154 1018365342 /nfs/dbraw/zinc/36/53/42/1018365342.db2.gz FCGGNGDXNVETAH-OXQOHEQNSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000173832154 1018365356 /nfs/dbraw/zinc/36/53/56/1018365356.db2.gz FCGGNGDXNVETAH-OXQOHEQNSA-N 1 1 306.409 3.829 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000098068910 1018383934 /nfs/dbraw/zinc/38/39/34/1018383934.db2.gz DCZRMZPQQCPXSZ-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000098068910 1018383946 /nfs/dbraw/zinc/38/39/46/1018383946.db2.gz DCZRMZPQQCPXSZ-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO C[C@@H]1CC(=NOCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000764834438 1018387183 /nfs/dbraw/zinc/38/71/83/1018387183.db2.gz CHDCESRXELBBSD-GFCCVEGCSA-N 1 1 300.324 3.606 20 30 DHEDMO Cc1c([C@H](C)[NH2+]Cc2ccc(C#N)o2)cnn1-c1ccc(F)cc1 ZINC000174319457 1018416705 /nfs/dbraw/zinc/41/67/05/1018416705.db2.gz HEBQJFKRKVEKCY-LBPRGKRZSA-N 1 1 324.359 3.635 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cnc(N2CCCC2)nc1 ZINC000525997080 1018423418 /nfs/dbraw/zinc/42/34/18/1018423418.db2.gz ZBWKMZOIUYXSHB-UHFFFAOYSA-N 1 1 322.456 3.655 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cn1 ZINC000278248045 1018442387 /nfs/dbraw/zinc/44/23/87/1018442387.db2.gz WXWQCOBKHCCBOG-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cn1 ZINC000278248045 1018442393 /nfs/dbraw/zinc/44/23/93/1018442393.db2.gz WXWQCOBKHCCBOG-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1)c1ccc(F)c(F)c1 ZINC000187782030 1018457640 /nfs/dbraw/zinc/45/76/40/1018457640.db2.gz CXYXMAYBIQCMSF-GOSISDBHSA-N 1 1 316.351 3.810 20 30 DHEDMO C=CCCCCC[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000583523117 1018527707 /nfs/dbraw/zinc/52/77/07/1018527707.db2.gz MWPXWMOBWQIUFL-IBGZPJMESA-N 1 1 305.437 3.799 20 30 DHEDMO C=C[C@@H](CC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000245617681 1018565521 /nfs/dbraw/zinc/56/55/21/1018565521.db2.gz DHSWFCPEJKENGE-ROUUACIJSA-N 1 1 314.473 3.583 20 30 DHEDMO CCC[N@@H+](CCC(C)(C)C#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000157880159 1018702971 /nfs/dbraw/zinc/70/29/71/1018702971.db2.gz BOJRKGXELRDWDG-HNNXBMFYSA-N 1 1 301.434 3.665 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000152993381 1018711787 /nfs/dbraw/zinc/71/17/87/1018711787.db2.gz MBVHKSSIMGCTOA-HNNXBMFYSA-N 1 1 317.433 3.594 20 30 DHEDMO C=C[C@H](CC(=O)NCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000536160208 1018753887 /nfs/dbraw/zinc/75/38/87/1018753887.db2.gz GCIIEPQULSDKEF-QGZVFWFLSA-N 1 1 314.473 3.727 20 30 DHEDMO C[N@@H+](CCCNc1ncc(C#N)cc1Cl)Cc1ccccc1 ZINC000060372200 1018760049 /nfs/dbraw/zinc/76/00/49/1018760049.db2.gz VSURCPNJWRFKKP-UHFFFAOYSA-N 1 1 314.820 3.541 20 30 DHEDMO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000921758257 1018773021 /nfs/dbraw/zinc/77/30/21/1018773021.db2.gz CBDBNDWLJJDRQA-GFCCVEGCSA-N 1 1 310.426 3.840 20 30 DHEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1c(F)cc(F)cc1F)CC2 ZINC000340499727 1018800109 /nfs/dbraw/zinc/80/01/09/1018800109.db2.gz QYHKSRPSGDDEFM-KRWDZBQOSA-N 1 1 302.299 3.753 20 30 DHEDMO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cn2ccccc2c1C#N ZINC000109784801 1018808176 /nfs/dbraw/zinc/80/81/76/1018808176.db2.gz ZRGNRTMWAPQJHQ-AWEZNQCLSA-N 1 1 305.381 3.710 20 30 DHEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000109784801 1018808189 /nfs/dbraw/zinc/80/81/89/1018808189.db2.gz ZRGNRTMWAPQJHQ-AWEZNQCLSA-N 1 1 305.381 3.710 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC001171571791 1032787511 /nfs/dbraw/zinc/78/75/11/1032787511.db2.gz BMWFOPIQHWNWGG-ZDUSSCGKSA-N 1 1 300.789 3.840 20 30 DHEDMO C=C[C@@H](CC(=O)NCC[N@@H+]1CCCC[C@H]1CC)c1ccccc1 ZINC000536189677 1018827695 /nfs/dbraw/zinc/82/76/95/1018827695.db2.gz BDAHQQUSDRTWLS-PKOBYXMFSA-N 1 1 314.473 3.727 20 30 DHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(CC(=O)OC)cc1 ZINC001142906822 1018849696 /nfs/dbraw/zinc/84/96/96/1018849696.db2.gz XWPHXSHHTJSIEF-UHFFFAOYSA-N 1 1 323.436 3.980 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000584017051 1018856089 /nfs/dbraw/zinc/85/60/89/1018856089.db2.gz BFAXNNZJLLOFTB-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000584017051 1018856104 /nfs/dbraw/zinc/85/61/04/1018856104.db2.gz BFAXNNZJLLOFTB-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO Cc1cc(F)c(C[NH2+]Cc2cc(C#N)ccc2N(C)C)c(F)c1 ZINC000922946166 1018926474 /nfs/dbraw/zinc/92/64/74/1018926474.db2.gz BSOOEWXXBYGITP-UHFFFAOYSA-N 1 1 315.367 3.501 20 30 DHEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2CC2CCCC2)c1 ZINC001171631592 1032795645 /nfs/dbraw/zinc/79/56/45/1032795645.db2.gz NPDBNKXVCUSEOM-GOSISDBHSA-N 1 1 311.429 3.541 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000186162744 1019068862 /nfs/dbraw/zinc/06/88/62/1019068862.db2.gz HPGXGEZEXCDGHQ-UHFFFAOYSA-N 1 1 316.408 3.684 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000186162744 1019068876 /nfs/dbraw/zinc/06/88/76/1019068876.db2.gz HPGXGEZEXCDGHQ-UHFFFAOYSA-N 1 1 316.408 3.684 20 30 DHEDMO CN(Cc1ccccc1C#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109969 1019089493 /nfs/dbraw/zinc/08/94/93/1019089493.db2.gz VUZMPWZJCNYAGE-LJQANCHMSA-N 1 1 319.452 3.512 20 30 DHEDMO N#Cc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000309536899 1019090846 /nfs/dbraw/zinc/09/08/46/1019090846.db2.gz ITUBGTUNXNFSOY-UHFFFAOYSA-N 1 1 311.816 3.534 20 30 DHEDMO N#CCC[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccccc1 ZINC000921926368 1019124583 /nfs/dbraw/zinc/12/45/83/1019124583.db2.gz WCROZZDOPIZIQJ-IBGZPJMESA-N 1 1 308.429 3.818 20 30 DHEDMO C=CCCCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001128275128 1019290105 /nfs/dbraw/zinc/29/01/05/1019290105.db2.gz YWSGVMWQUKJDIM-IBGZPJMESA-N 1 1 314.473 3.822 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000186176116 1019340000 /nfs/dbraw/zinc/34/00/00/1019340000.db2.gz DCGAOKWVMFIDCI-JXFKEZNVSA-N 1 1 306.409 3.829 20 30 DHEDMO N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000311918781 1019355280 /nfs/dbraw/zinc/35/52/80/1019355280.db2.gz SCVHBFHVUHSUDT-BETUJISGSA-N 1 1 319.246 3.943 20 30 DHEDMO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000311918781 1019355292 /nfs/dbraw/zinc/35/52/92/1019355292.db2.gz SCVHBFHVUHSUDT-BETUJISGSA-N 1 1 319.246 3.943 20 30 DHEDMO C[C@H]([NH2+]Cc1ccn(Cc2ccccc2)n1)c1cccc(C#N)c1 ZINC000340625273 1019417830 /nfs/dbraw/zinc/41/78/30/1019417830.db2.gz YMANDGPDMWNYBG-INIZCTEOSA-N 1 1 316.408 3.654 20 30 DHEDMO CCC[N@@H+](Cc1[nH]nc2ccccc21)Cc1ccc(C#N)cc1 ZINC000611255782 1019424640 /nfs/dbraw/zinc/42/46/40/1019424640.db2.gz UUFQFCXSRKMQNV-UHFFFAOYSA-N 1 1 304.397 3.847 20 30 DHEDMO CCC[N@H+](Cc1n[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC000611255782 1019424645 /nfs/dbraw/zinc/42/46/45/1019424645.db2.gz UUFQFCXSRKMQNV-UHFFFAOYSA-N 1 1 304.397 3.847 20 30 DHEDMO CCC[N@@H+](Cc1n[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC000611255782 1019424651 /nfs/dbraw/zinc/42/46/51/1019424651.db2.gz UUFQFCXSRKMQNV-UHFFFAOYSA-N 1 1 304.397 3.847 20 30 DHEDMO CCC[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1F ZINC000611255954 1019424813 /nfs/dbraw/zinc/42/48/13/1019424813.db2.gz JVENMUAWCIGEHK-UHFFFAOYSA-N 1 1 322.387 3.757 20 30 DHEDMO CCC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1F ZINC000611255954 1019424820 /nfs/dbraw/zinc/42/48/20/1019424820.db2.gz JVENMUAWCIGEHK-UHFFFAOYSA-N 1 1 322.387 3.757 20 30 DHEDMO CCC[N@H+](Cc1cn2cccc(F)c2n1)Cc1ccc(C#N)cc1 ZINC000611255764 1019424869 /nfs/dbraw/zinc/42/48/69/1019424869.db2.gz NCBOMMMZORMEBP-UHFFFAOYSA-N 1 1 322.387 3.757 20 30 DHEDMO CCC[N@@H+](Cc1cn2cccc(F)c2n1)Cc1ccc(C#N)cc1 ZINC000611255764 1019424873 /nfs/dbraw/zinc/42/48/73/1019424873.db2.gz NCBOMMMZORMEBP-UHFFFAOYSA-N 1 1 322.387 3.757 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[NH+]2[C@H](C)CCC[C@H]2C)c1C#N ZINC000611347093 1019453100 /nfs/dbraw/zinc/45/31/00/1019453100.db2.gz GFCFRNZNSOKWFP-HUUCEWRRSA-N 1 1 308.429 3.815 20 30 DHEDMO COC(=O)c1oc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1C ZINC000611386092 1019462951 /nfs/dbraw/zinc/46/29/51/1019462951.db2.gz CGIOKBONJPNZAQ-QWHCGFSZSA-N 1 1 312.369 3.658 20 30 DHEDMO CC(C)[N@H+](Cc1nc2c(s1)CCC2)Cc1ccc(C#N)cc1 ZINC000611410589 1019477771 /nfs/dbraw/zinc/47/77/71/1019477771.db2.gz CWFJBAGKTUCNMV-UHFFFAOYSA-N 1 1 311.454 3.914 20 30 DHEDMO CC(C)[N@@H+](Cc1nc2c(s1)CCC2)Cc1ccc(C#N)cc1 ZINC000611410589 1019477776 /nfs/dbraw/zinc/47/77/76/1019477776.db2.gz CWFJBAGKTUCNMV-UHFFFAOYSA-N 1 1 311.454 3.914 20 30 DHEDMO C=CC[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000066865392 1019635447 /nfs/dbraw/zinc/63/54/47/1019635447.db2.gz PJCSJRLHIBBBCS-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO C=CC[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000066865392 1019635481 /nfs/dbraw/zinc/63/54/81/1019635481.db2.gz PJCSJRLHIBBBCS-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO C[C@H]1C[C@H](NC2(C#N)CCCCCC2)C[N@H+]1Cc1ccccc1 ZINC001171725389 1032844620 /nfs/dbraw/zinc/84/46/20/1032844620.db2.gz KVMNWPQNRYJSEG-HKUYNNGSSA-N 1 1 311.473 3.856 20 30 DHEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C1CCC(F)(F)CC1 ZINC000347577205 1019718309 /nfs/dbraw/zinc/71/83/09/1019718309.db2.gz GYDLWRZXYFJXTL-UHFFFAOYSA-N 1 1 300.393 3.597 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000347578498 1019721734 /nfs/dbraw/zinc/72/17/34/1019721734.db2.gz IBNDYDSGXSBSLB-UPJWGTAASA-N 1 1 319.836 3.517 20 30 DHEDMO C=C(Cl)C[N@H+](C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000363531893 1019736413 /nfs/dbraw/zinc/73/64/13/1019736413.db2.gz BJJXOTXQMOEHBL-UHFFFAOYSA-N 1 1 322.884 3.562 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000336870105 1032852098 /nfs/dbraw/zinc/85/20/98/1032852098.db2.gz HGFRAAGANYWUOM-INIZCTEOSA-N 1 1 310.445 3.831 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC1(C)C ZINC000477490191 1032854916 /nfs/dbraw/zinc/85/49/16/1032854916.db2.gz LMJOSVDMKJFNNK-UHFFFAOYSA-N 1 1 304.459 3.778 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](OCC)C2)ccc1OC ZINC000155469092 1019819253 /nfs/dbraw/zinc/81/92/53/1019819253.db2.gz JNDSGODMKRMSNA-QGZVFWFLSA-N 1 1 319.445 3.651 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc2cnccc2c1 ZINC000685442370 1019822678 /nfs/dbraw/zinc/82/26/78/1019822678.db2.gz UZYIMOYSHWPNBW-UHFFFAOYSA-N 1 1 322.408 3.898 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1Cl ZINC000179187661 1019822803 /nfs/dbraw/zinc/82/28/03/1019822803.db2.gz DESQMDIWXNOOPX-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO CCOc1ccccc1C[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000179198972 1019835558 /nfs/dbraw/zinc/83/55/58/1019835558.db2.gz VWTKRXQCRYSTKP-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO CC[N@H+](Cc1ccn(C(F)F)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000347698007 1019841541 /nfs/dbraw/zinc/84/15/41/1019841541.db2.gz IGCICMXPTCXYAY-LBPRGKRZSA-N 1 1 304.344 3.733 20 30 DHEDMO CC[N@@H+](Cc1ccn(C(F)F)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000347698007 1019841554 /nfs/dbraw/zinc/84/15/54/1019841554.db2.gz IGCICMXPTCXYAY-LBPRGKRZSA-N 1 1 304.344 3.733 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](C)NC(=O)OC(C)(C)C ZINC000785441119 1019854255 /nfs/dbraw/zinc/85/42/55/1019854255.db2.gz ZDXXEUDQEKTPFW-HNNXBMFYSA-N 1 1 304.434 3.588 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](C3CC3)C2)cc(OC)c1O ZINC000685476151 1019860091 /nfs/dbraw/zinc/86/00/91/1019860091.db2.gz KRXGMBRUUPTBTH-QGZVFWFLSA-N 1 1 301.430 3.751 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)cc1OC ZINC000685475901 1019860610 /nfs/dbraw/zinc/86/06/10/1019860610.db2.gz APJYQJAXFGBAJQ-QGZVFWFLSA-N 1 1 301.430 3.882 20 30 DHEDMO N#Cc1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000317234066 1019968181 /nfs/dbraw/zinc/96/81/81/1019968181.db2.gz DHPIPUFTULUVKY-QWHCGFSZSA-N 1 1 309.335 3.616 20 30 DHEDMO Clc1cccc(C#CC[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000685604307 1019974323 /nfs/dbraw/zinc/97/43/23/1019974323.db2.gz QKGBYBRYWVBDHV-QZTJIDSGSA-N 1 1 315.844 3.725 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000685604307 1019974331 /nfs/dbraw/zinc/97/43/31/1019974331.db2.gz QKGBYBRYWVBDHV-QZTJIDSGSA-N 1 1 315.844 3.725 20 30 DHEDMO CC(C)C[N@H+](Cc1ccn(C(F)F)n1)Cc1ccc(C#N)cc1 ZINC000347709716 1020000088 /nfs/dbraw/zinc/00/00/88/1020000088.db2.gz URAHEGQUCLNITQ-UHFFFAOYSA-N 1 1 318.371 3.808 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccn(C(F)F)n1)Cc1ccc(C#N)cc1 ZINC000347709716 1020000097 /nfs/dbraw/zinc/00/00/97/1020000097.db2.gz URAHEGQUCLNITQ-UHFFFAOYSA-N 1 1 318.371 3.808 20 30 DHEDMO CC(C)[N@H+](Cc1ccn(C(F)F)n1)Cc1ccc(C#N)cc1 ZINC000347712769 1020004844 /nfs/dbraw/zinc/00/48/44/1020004844.db2.gz ZBHAVBHGAXWLTO-UHFFFAOYSA-N 1 1 304.344 3.560 20 30 DHEDMO CC(C)[N@@H+](Cc1ccn(C(F)F)n1)Cc1ccc(C#N)cc1 ZINC000347712769 1020004855 /nfs/dbraw/zinc/00/48/55/1020004855.db2.gz ZBHAVBHGAXWLTO-UHFFFAOYSA-N 1 1 304.344 3.560 20 30 DHEDMO CC(C)C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000123504924 1020072089 /nfs/dbraw/zinc/07/20/89/1020072089.db2.gz UUEUDMQSPKYEGD-QGZVFWFLSA-N 1 1 313.445 3.787 20 30 DHEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000731212340 1020078889 /nfs/dbraw/zinc/07/88/89/1020078889.db2.gz HQWZCRAALXCREB-IBGZPJMESA-N 1 1 322.408 3.935 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000731210419 1020079283 /nfs/dbraw/zinc/07/92/83/1020079283.db2.gz MCLNQCJPXLEZKN-LJQANCHMSA-N 1 1 306.409 3.796 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000731210381 1020079373 /nfs/dbraw/zinc/07/93/73/1020079373.db2.gz JCRBWYOUYHRINQ-UHFFFAOYSA-N 1 1 320.392 3.584 20 30 DHEDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000731212447 1020081952 /nfs/dbraw/zinc/08/19/52/1020081952.db2.gz MIDZORHNDLLXPJ-GOSISDBHSA-N 1 1 306.409 3.887 20 30 DHEDMO N#Cc1csc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000092435973 1020091562 /nfs/dbraw/zinc/09/15/62/1020091562.db2.gz FFWRUVNBIFJZIG-KRWDZBQOSA-N 1 1 312.438 3.801 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cn1ccc(-c2cccs2)n1 ZINC000731657508 1020128267 /nfs/dbraw/zinc/12/82/67/1020128267.db2.gz ZRYIOUBGRHHUMS-UHFFFAOYSA-N 1 1 308.410 3.573 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)Cn1ccc(-c2cccs2)n1 ZINC000731657508 1020128279 /nfs/dbraw/zinc/12/82/79/1020128279.db2.gz ZRYIOUBGRHHUMS-UHFFFAOYSA-N 1 1 308.410 3.573 20 30 DHEDMO CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@H](C)c1cccc(O)c1 ZINC000154601890 1020130627 /nfs/dbraw/zinc/13/06/27/1020130627.db2.gz JWQIZOUVWBZRBD-CQSZACIVSA-N 1 1 310.397 3.856 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093102438 1020133502 /nfs/dbraw/zinc/13/35/02/1020133502.db2.gz KOQDFVBOYJUHQJ-ZDUSSCGKSA-N 1 1 300.427 3.691 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)ccc1F ZINC000154893047 1020162377 /nfs/dbraw/zinc/16/23/77/1020162377.db2.gz PAJUDKUDDODSFL-SFHVURJKSA-N 1 1 309.388 3.774 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155064526 1020184069 /nfs/dbraw/zinc/18/40/69/1020184069.db2.gz AMCYGSBIHQCVMG-IBGZPJMESA-N 1 1 309.388 3.774 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155064526 1020184074 /nfs/dbraw/zinc/18/40/74/1020184074.db2.gz AMCYGSBIHQCVMG-IBGZPJMESA-N 1 1 309.388 3.774 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@@H+]2C[C@@H](CC)O[C@@H](C)C2)c1O ZINC000732185000 1020209149 /nfs/dbraw/zinc/20/91/49/1020209149.db2.gz IUMPHJNBFWPLCO-WMLDXEAASA-N 1 1 319.445 3.519 20 30 DHEDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1C ZINC000186309701 1020225704 /nfs/dbraw/zinc/22/57/04/1020225704.db2.gz QBHGXMXPCUKTKT-FQEVSTJZSA-N 1 1 308.425 3.640 20 30 DHEDMO CCCCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732442892 1020242656 /nfs/dbraw/zinc/24/26/56/1020242656.db2.gz BPBZAUYSXMXTII-QGZVFWFLSA-N 1 1 309.498 3.615 20 30 DHEDMO CC(C)C[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000330996276 1020250238 /nfs/dbraw/zinc/25/02/38/1020250238.db2.gz ZUDYWJONJFBBLW-INIZCTEOSA-N 1 1 324.428 3.866 20 30 DHEDMO CC(C)c1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000125254495 1020284094 /nfs/dbraw/zinc/28/40/94/1020284094.db2.gz RQZJJMWVMLUQRK-UHFFFAOYSA-N 1 1 321.424 3.752 20 30 DHEDMO CC(C)c1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000125254495 1020284102 /nfs/dbraw/zinc/28/41/02/1020284102.db2.gz RQZJJMWVMLUQRK-UHFFFAOYSA-N 1 1 321.424 3.752 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C#N)ccc1OC ZINC000156117420 1020315274 /nfs/dbraw/zinc/31/52/74/1020315274.db2.gz SJWMJDIWFLDVMD-UHFFFAOYSA-N 1 1 319.408 3.851 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000280917619 1020316022 /nfs/dbraw/zinc/31/60/22/1020316022.db2.gz GBNJRQSDYUSBOE-QRQLOZEOSA-N 1 1 316.420 3.603 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001171805689 1032895013 /nfs/dbraw/zinc/89/50/13/1032895013.db2.gz ZUMFVEWZOKRGOE-MRXNPFEDSA-N 1 1 313.401 3.869 20 30 DHEDMO C[C@@]1(C#N)CCC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000612161921 1020352287 /nfs/dbraw/zinc/35/22/87/1020352287.db2.gz HEJJQUQYKXXUAS-HNNXBMFYSA-N 1 1 312.335 3.753 20 30 DHEDMO C[C@@]1(C#N)CCC[N@@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000612161921 1020352298 /nfs/dbraw/zinc/35/22/98/1020352298.db2.gz HEJJQUQYKXXUAS-HNNXBMFYSA-N 1 1 312.335 3.753 20 30 DHEDMO N#Cc1ccncc1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310515463 1020412267 /nfs/dbraw/zinc/41/22/67/1020412267.db2.gz KUEKDFTWJQUKSN-SFHVURJKSA-N 1 1 320.440 3.667 20 30 DHEDMO CCOC(=O)CC[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000161990800 1020438230 /nfs/dbraw/zinc/43/82/30/1020438230.db2.gz PBUXTXCSLKQXBJ-RDJZCZTQSA-N 1 1 314.429 3.675 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001171846789 1032901746 /nfs/dbraw/zinc/90/17/46/1032901746.db2.gz FBKDRMNMOJWHRK-OAHLLOKOSA-N 1 1 308.466 3.532 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2ccc(Cl)cc2)C1 ZINC001171840489 1032902016 /nfs/dbraw/zinc/90/20/16/1032902016.db2.gz COKCPLKJWSNAJH-HOCLYGCPSA-N 1 1 320.864 3.633 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](CC2CCC2)[C@H](C)c2ccccc2)C1=O ZINC000337134353 1032903741 /nfs/dbraw/zinc/90/37/41/1032903741.db2.gz BHHQGEZDSRNGMU-APWZRJJASA-N 1 1 312.457 3.637 20 30 DHEDMO C=CCOCCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000348025645 1020480124 /nfs/dbraw/zinc/48/01/24/1020480124.db2.gz COICNKVBNKAGJD-ICSRJNTNSA-N 1 1 316.489 3.564 20 30 DHEDMO C=CCOCCC[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000348040424 1020490410 /nfs/dbraw/zinc/49/04/10/1020490410.db2.gz DJZXHMSXLSYTJN-QZTJIDSGSA-N 1 1 307.409 3.570 20 30 DHEDMO CC[N@H+](CC(=O)c1cc(C)[nH]c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000348070126 1020491804 /nfs/dbraw/zinc/49/18/04/1020491804.db2.gz WCWPAIQXWBVHGJ-OAHLLOKOSA-N 1 1 309.413 3.769 20 30 DHEDMO CC[N@@H+](CC(=O)c1cc(C)[nH]c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000348070126 1020491810 /nfs/dbraw/zinc/49/18/10/1020491810.db2.gz WCWPAIQXWBVHGJ-OAHLLOKOSA-N 1 1 309.413 3.769 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](OCC)C1CC1 ZINC000625422147 1020511084 /nfs/dbraw/zinc/51/10/84/1020511084.db2.gz DYOBLTPVYSNUTA-SFHVURJKSA-N 1 1 305.466 3.657 20 30 DHEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1C#N ZINC000301460998 1020512919 /nfs/dbraw/zinc/51/29/19/1020512919.db2.gz UKKLVXZBJSJMIC-KRWDZBQOSA-N 1 1 323.415 3.656 20 30 DHEDMO Cc1cc(C)c(C#N)c(NCCC[N@H+](C)Cc2ccccc2)n1 ZINC000302796031 1020551165 /nfs/dbraw/zinc/55/11/65/1020551165.db2.gz MIXORKZIMLKOHC-UHFFFAOYSA-N 1 1 308.429 3.504 20 30 DHEDMO N#CC1(CCC[N@@H+](C[C@H]2CCCO2)C2CCCC2)CCOCC1 ZINC000337171153 1032910548 /nfs/dbraw/zinc/91/05/48/1032910548.db2.gz FOZNCKNTYQQOGD-GOSISDBHSA-N 1 1 320.477 3.511 20 30 DHEDMO CC[C@@H](C)[C@H](C)[N@@H+](CCC(=O)Nc1sccc1C#N)C1CC1 ZINC000109025708 1020584842 /nfs/dbraw/zinc/58/48/42/1020584842.db2.gz DMHVKAMZOCSRJR-OLZOCXBDSA-N 1 1 319.474 3.847 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000303813397 1020604666 /nfs/dbraw/zinc/60/46/66/1020604666.db2.gz IQWXFERAJLBRJU-UHFFFAOYSA-N 1 1 314.473 3.692 20 30 DHEDMO CCOC(=O)C1(C)CCC([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001171955606 1032924560 /nfs/dbraw/zinc/92/45/60/1032924560.db2.gz PODITQVEEKFTDD-UHFFFAOYSA-N 1 1 306.450 3.657 20 30 DHEDMO C#CCCOc1ccc(C[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000131145165 1032922164 /nfs/dbraw/zinc/92/21/64/1032922164.db2.gz AKHFGMIZYPCVHF-UHFFFAOYSA-N 1 1 312.438 3.712 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1O ZINC000735665873 1020760295 /nfs/dbraw/zinc/76/02/95/1020760295.db2.gz BCDWTTPUACDEGL-KBPBESRZSA-N 1 1 321.486 3.845 20 30 DHEDMO C=CCCC(=O)OC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000735898299 1020776862 /nfs/dbraw/zinc/77/68/62/1020776862.db2.gz GLUKVFRFSXLCLP-APWZRJJASA-N 1 1 317.429 3.588 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000661379699 1020798281 /nfs/dbraw/zinc/79/82/81/1020798281.db2.gz GYQGRNSJXBRADF-GFCCVEGCSA-N 1 1 310.800 3.706 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000661379699 1020798285 /nfs/dbraw/zinc/79/82/85/1020798285.db2.gz GYQGRNSJXBRADF-GFCCVEGCSA-N 1 1 310.800 3.706 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000685849633 1020822281 /nfs/dbraw/zinc/82/22/81/1020822281.db2.gz SKLWQCPOCJZRRG-ROUUACIJSA-N 1 1 301.430 3.641 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000829779372 1020909050 /nfs/dbraw/zinc/90/90/50/1020909050.db2.gz SDXSRVQHUBADTL-CYBMUJFWSA-N 1 1 322.811 3.543 20 30 DHEDMO CCC(CC)[N@@H+](Cn1c(C)nnc1-c1cccc(C#N)c1)C1CC1 ZINC000739838972 1020921876 /nfs/dbraw/zinc/92/18/76/1020921876.db2.gz VZKVONUZUFCBDM-UHFFFAOYSA-N 1 1 323.444 3.736 20 30 DHEDMO C#Cc1cccc(N(CCn2cc[nH+]c2C)Cc2ccccc2)c1 ZINC000766251395 1020932358 /nfs/dbraw/zinc/93/23/58/1020932358.db2.gz NZZCYHWQPMKHKT-UHFFFAOYSA-N 1 1 315.420 3.880 20 30 DHEDMO C=CC[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)C(C)C ZINC000740875201 1020957722 /nfs/dbraw/zinc/95/77/22/1020957722.db2.gz KXVGZCMIYCVVGE-UHFFFAOYSA-N 1 1 305.809 3.829 20 30 DHEDMO C=CC[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C(C)C ZINC000740875344 1020958051 /nfs/dbraw/zinc/95/80/51/1020958051.db2.gz UQHOVMSOJKOUPJ-UHFFFAOYSA-N 1 1 305.809 3.829 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000740875009 1020958516 /nfs/dbraw/zinc/95/85/16/1020958516.db2.gz XQZUVHMGJNYGAG-OAHLLOKOSA-N 1 1 307.434 3.523 20 30 DHEDMO C[C@@H]1C[C@@H](/N=C/c2cc(Cl)cc(Cl)c2O)CC[N@@H+]1C ZINC000741465069 1021008373 /nfs/dbraw/zinc/00/83/73/1021008373.db2.gz SOJKUMJSJPVBIX-PCWUWGIISA-N 1 1 301.217 3.601 20 30 DHEDMO C[C@@H]1C[C@@H](/N=C/c2cc(Cl)cc(Cl)c2O)CC[N@H+]1C ZINC000741465069 1021008377 /nfs/dbraw/zinc/00/83/77/1021008377.db2.gz SOJKUMJSJPVBIX-PCWUWGIISA-N 1 1 301.217 3.601 20 30 DHEDMO CC[N@H+]1CCC(N=Nc2nc(-c3ccccc3)cs2)[C@@H](C)C1 ZINC000741462232 1021008443 /nfs/dbraw/zinc/00/84/43/1021008443.db2.gz LYQUELXWXQNTKQ-ZDUSSCGKSA-N 1 1 314.458 3.940 20 30 DHEDMO O[C@H](C[C@H]1CCC[N@H+]1CC#Cc1ccccc1)c1cccs1 ZINC000248886759 1021026506 /nfs/dbraw/zinc/02/65/06/1021026506.db2.gz RBXCPJSMMTWPGD-QZTJIDSGSA-N 1 1 311.450 3.688 20 30 DHEDMO O[C@H](C[C@@H]1CCCCC[N@H+]1CC#Cc1ccccc1)c1ccco1 ZINC000248904520 1021032354 /nfs/dbraw/zinc/03/23/54/1021032354.db2.gz WEGDLYMTIPTVHR-VQTJNVASSA-N 1 1 323.436 3.999 20 30 DHEDMO Cc1ccccc1CN1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC000892607494 1021083347 /nfs/dbraw/zinc/08/33/47/1021083347.db2.gz UAXQBCGCCZDMEC-UHFFFAOYSA-N 1 1 318.464 3.601 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000125726062 1032953741 /nfs/dbraw/zinc/95/37/41/1032953741.db2.gz NMCJEXUJTVFJNM-ZDUSSCGKSA-N 1 1 315.804 3.658 20 30 DHEDMO C[C@H]1CCC[C@H](C)[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000742154408 1021095714 /nfs/dbraw/zinc/09/57/14/1021095714.db2.gz JESOPSOAORMBPK-HOTGVXAUSA-N 1 1 308.429 3.890 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H](c2ccccc2)O1 ZINC000264535431 1032954488 /nfs/dbraw/zinc/95/44/88/1032954488.db2.gz FYOGSHPPDFPSCR-UZLBHIALSA-N 1 1 322.408 3.551 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H](c2ccccc2)O1 ZINC000264535431 1032954507 /nfs/dbraw/zinc/95/45/07/1032954507.db2.gz FYOGSHPPDFPSCR-UZLBHIALSA-N 1 1 322.408 3.551 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C(C)C ZINC000917167087 1021204900 /nfs/dbraw/zinc/20/49/00/1021204900.db2.gz SFZMZIRXXTVYFH-UHFFFAOYSA-N 1 1 301.217 3.828 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C(C)C ZINC000917167087 1021204910 /nfs/dbraw/zinc/20/49/10/1021204910.db2.gz SFZMZIRXXTVYFH-UHFFFAOYSA-N 1 1 301.217 3.828 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)C(C)C ZINC000917168096 1021205591 /nfs/dbraw/zinc/20/55/91/1021205591.db2.gz MFCTVZIBWFSESW-OAHLLOKOSA-N 1 1 314.429 3.849 20 30 DHEDMO C=CC[N@H+](CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1)C(C)C ZINC000917168688 1021206537 /nfs/dbraw/zinc/20/65/37/1021206537.db2.gz WLVVGPPQVWYJNL-HNNXBMFYSA-N 1 1 306.425 3.632 20 30 DHEDMO COCC[N@H+](Cc1ccc(C)c(C)c1)Cc1ccccc1C#N ZINC000917156424 1021207495 /nfs/dbraw/zinc/20/74/95/1021207495.db2.gz QPDPDHXGWJCJLZ-UHFFFAOYSA-N 1 1 308.425 3.824 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C)c(C)c1)Cc1ccccc1C#N ZINC000917156424 1021207501 /nfs/dbraw/zinc/20/75/01/1021207501.db2.gz QPDPDHXGWJCJLZ-UHFFFAOYSA-N 1 1 308.425 3.824 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000187689639 1021247361 /nfs/dbraw/zinc/24/73/61/1021247361.db2.gz AVZIIRIVWDBTDF-OXQOHEQNSA-N 1 1 306.409 3.867 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000187689639 1021247368 /nfs/dbraw/zinc/24/73/68/1021247368.db2.gz AVZIIRIVWDBTDF-OXQOHEQNSA-N 1 1 306.409 3.867 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000743260557 1021250018 /nfs/dbraw/zinc/25/00/18/1021250018.db2.gz FBMKSQWRUVPPIR-HXUWFJFHSA-N 1 1 308.425 3.812 20 30 DHEDMO COc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1O ZINC000154379392 1021250441 /nfs/dbraw/zinc/25/04/41/1021250441.db2.gz VXZHATWGZURFRR-UHFFFAOYSA-N 1 1 310.397 3.683 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000743261435 1021250639 /nfs/dbraw/zinc/25/06/39/1021250639.db2.gz HMOZEHCBWNPKOF-HXUWFJFHSA-N 1 1 311.425 3.725 20 30 DHEDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356421440 1021278083 /nfs/dbraw/zinc/27/80/83/1021278083.db2.gz IXKHCCWJAMBPGM-AWEZNQCLSA-N 1 1 312.335 3.578 20 30 DHEDMO N#Cc1ccc(C2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)cc1 ZINC001137049084 1021312944 /nfs/dbraw/zinc/31/29/44/1021312944.db2.gz XXIIZACMJYQPQV-UHFFFAOYSA-N 1 1 316.408 3.814 20 30 DHEDMO CC(=NNc1ccccc1F)c1cccc(OCC[NH+](C)C)c1 ZINC000743531059 1021316532 /nfs/dbraw/zinc/31/65/32/1021316532.db2.gz CFZPMHNFVVEQNI-UHFFFAOYSA-N 1 1 315.392 3.602 20 30 DHEDMO N#Cc1cccc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000066696109 1021322352 /nfs/dbraw/zinc/32/23/52/1021322352.db2.gz CFKAUSZVLLBOGY-QGZVFWFLSA-N 1 1 312.438 3.801 20 30 DHEDMO N#Cc1cccc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000066696108 1021327420 /nfs/dbraw/zinc/32/74/20/1021327420.db2.gz CFKAUSZVLLBOGY-KRWDZBQOSA-N 1 1 312.438 3.801 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCC23CCOCC3)cc1 ZINC000618318397 1021354216 /nfs/dbraw/zinc/35/42/16/1021354216.db2.gz XMNSSAOCJINBNX-UHFFFAOYSA-N 1 1 318.420 3.980 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(I)cc1)C(C)C ZINC000743841642 1021367312 /nfs/dbraw/zinc/36/73/12/1021367312.db2.gz PHKUKHQAPVVRLV-UHFFFAOYSA-N 1 1 315.198 3.688 20 30 DHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CCCOc2ccc(C#N)cc2)C1 ZINC000743868611 1021390299 /nfs/dbraw/zinc/39/02/99/1021390299.db2.gz DSKTYRSJGAEGJE-SJLPKXTDSA-N 1 1 318.486 3.933 20 30 DHEDMO CC(=[NH+]NCc1cccc2cccnc21)c1ccc(N)cc1Cl ZINC000782902124 1021399870 /nfs/dbraw/zinc/39/98/70/1021399870.db2.gz XMTOEENWEVDLKG-UHFFFAOYSA-N 1 1 324.815 3.984 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(Br)c2)C2(CC2)C1 ZINC001236865720 1021417936 /nfs/dbraw/zinc/41/79/36/1021417936.db2.gz FZMAPIQKRIFRRI-NSHDSACASA-N 1 1 305.219 3.695 20 30 DHEDMO CC(C)(S)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172077272 1032980384 /nfs/dbraw/zinc/98/03/84/1032980384.db2.gz QNUBPJQWKALPSC-BCDXTJNWSA-N 1 1 318.530 3.870 20 30 DHEDMO N#C[C@H]1CCCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172074902 1032981009 /nfs/dbraw/zinc/98/10/09/1032981009.db2.gz MQNTVOGAWYPRPF-CGXNFDGLSA-N 1 1 323.484 3.808 20 30 DHEDMO C#CC[N@@H+](Cc1cnc(-c2ccccc2)nc1)C1CCCCC1 ZINC000744212554 1021470544 /nfs/dbraw/zinc/47/05/44/1021470544.db2.gz JVUXFYQEFNBZNL-UHFFFAOYSA-N 1 1 305.425 3.912 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000538096806 1032984328 /nfs/dbraw/zinc/98/43/28/1032984328.db2.gz UCYOHFSWNUTULY-DLBZAZTESA-N 1 1 315.461 3.785 20 30 DHEDMO C[N@@H+](CCS[C@@H](C#N)Cc1ccccc1)Cc1ccccc1 ZINC000618966021 1021595703 /nfs/dbraw/zinc/59/57/03/1021595703.db2.gz MGLPWVOTQQGMBO-LJQANCHMSA-N 1 1 310.466 3.986 20 30 DHEDMO CSc1ccc(C[NH2+][C@@H]2CCCc3oc(C)nc32)cc1C#N ZINC000926869639 1021705503 /nfs/dbraw/zinc/70/55/03/1021705503.db2.gz WGKHSSWQEHKGBK-CQSZACIVSA-N 1 1 313.426 3.744 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C(C)(C)C)[C@H]1CC[C@@H](C#N)C1 ZINC000561030792 1021712768 /nfs/dbraw/zinc/71/27/68/1021712768.db2.gz HHFZRKYFNRHXRY-CVEARBPZSA-N 1 1 300.446 3.987 20 30 DHEDMO Cc1cc(-c2noc([C@@H](C)[NH2+]CC3(CC#N)CC3)n2)ccc1F ZINC000619526418 1021779798 /nfs/dbraw/zinc/77/97/98/1021779798.db2.gz YJARHSOULIGPLQ-GFCCVEGCSA-N 1 1 314.364 3.529 20 30 DHEDMO CCCCCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000745855727 1021794798 /nfs/dbraw/zinc/79/47/98/1021794798.db2.gz YCCVNOKFMBGLQC-IAGOWNOFSA-N 1 1 311.514 3.861 20 30 DHEDMO N#Cc1cccnc1Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000194906207 1021795244 /nfs/dbraw/zinc/79/52/44/1021795244.db2.gz KRPVPMKIYIJIJB-UHFFFAOYSA-N 1 1 303.369 3.773 20 30 DHEDMO CCN(CC)c1ccc(C[N@@H+](C)CCCSCC#N)cc1 ZINC000745942296 1021799880 /nfs/dbraw/zinc/79/98/80/1021799880.db2.gz HETMKKOWFTVVQP-UHFFFAOYSA-N 1 1 305.491 3.611 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000728708067 1021815493 /nfs/dbraw/zinc/81/54/93/1021815493.db2.gz VOJGGWGFLZEUIM-UHFFFAOYSA-N 1 1 320.371 3.650 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000728708067 1021815512 /nfs/dbraw/zinc/81/55/12/1021815512.db2.gz VOJGGWGFLZEUIM-UHFFFAOYSA-N 1 1 320.371 3.650 20 30 DHEDMO COc1ccccc1OCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194957834 1021825746 /nfs/dbraw/zinc/82/57/46/1021825746.db2.gz OORIGSLYHFHUOK-UHFFFAOYSA-N 1 1 322.408 3.610 20 30 DHEDMO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)ccn1 ZINC000619785563 1021897089 /nfs/dbraw/zinc/89/70/89/1021897089.db2.gz PQKZOXGJSRJSPV-FNLKRUPLSA-N 1 1 303.409 3.864 20 30 DHEDMO CCCCCCCC(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000919984412 1022001935 /nfs/dbraw/zinc/00/19/35/1022001935.db2.gz HALBFOFYYRSDTE-UHFFFAOYSA-N 1 1 300.406 3.875 20 30 DHEDMO C=CC[N@@H+](Cc1cc2c(c(Br)c1)OCO2)C(C)C ZINC000920086905 1022041631 /nfs/dbraw/zinc/04/16/31/1022041631.db2.gz RETYDCSNBPXDLJ-UHFFFAOYSA-N 1 1 312.207 3.574 20 30 DHEDMO C=CCCCC[N@@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852335894 1022110386 /nfs/dbraw/zinc/11/03/86/1022110386.db2.gz NIJBUQRWCZFPDP-UHFFFAOYSA-N 1 1 312.335 3.859 20 30 DHEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1)[C@H]1CCc2ccccc21 ZINC000110981456 1022191492 /nfs/dbraw/zinc/19/14/92/1022191492.db2.gz GQYYKZULHJWNDV-FQEVSTJZSA-N 1 1 318.420 3.638 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc(-n2cccn2)c1 ZINC000183599662 1022203931 /nfs/dbraw/zinc/20/39/31/1022203931.db2.gz MLWKHXXRIYJKMC-CQSZACIVSA-N 1 1 320.371 3.734 20 30 DHEDMO C[N@H+](Cc1ccc(F)cc1Br)[C@H]1CC[C@@H](C#N)C1 ZINC000339136618 1022217642 /nfs/dbraw/zinc/21/76/42/1022217642.db2.gz XPUFZLRSGDKVGS-MFKMUULPSA-N 1 1 311.198 3.712 20 30 DHEDMO C[N@@H+](Cc1ccc(F)cc1Br)[C@H]1CC[C@@H](C#N)C1 ZINC000339136618 1022217649 /nfs/dbraw/zinc/21/76/49/1022217649.db2.gz XPUFZLRSGDKVGS-MFKMUULPSA-N 1 1 311.198 3.712 20 30 DHEDMO N#CCC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCCCCC1 ZINC001169027406 1022219004 /nfs/dbraw/zinc/21/90/04/1022219004.db2.gz PHMOYVPTGIFXFC-WBVHZDCISA-N 1 1 307.438 3.760 20 30 DHEDMO CCc1nc([C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cs1 ZINC000111406709 1022294406 /nfs/dbraw/zinc/29/44/06/1022294406.db2.gz DHYARNSZCFEIOE-STQMWFEESA-N 1 1 315.442 3.847 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1c2c(sc1=O)C[C@H](CC)CC2 ZINC000853597727 1022295322 /nfs/dbraw/zinc/29/53/22/1022295322.db2.gz DQACVFZBAHHZOL-KFWWJZLASA-N 1 1 318.486 3.565 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1c2c(sc1=O)C[C@H](CC)CC2 ZINC000853597727 1022295333 /nfs/dbraw/zinc/29/53/33/1022295333.db2.gz DQACVFZBAHHZOL-KFWWJZLASA-N 1 1 318.486 3.565 20 30 DHEDMO CC[C@H]1c2ccccc2CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000609625650 1022318075 /nfs/dbraw/zinc/31/80/75/1022318075.db2.gz ISIFUFFKBHDATR-IBGZPJMESA-N 1 1 319.408 3.506 20 30 DHEDMO CC[C@H]1c2ccccc2CC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000609625650 1022318078 /nfs/dbraw/zinc/31/80/78/1022318078.db2.gz ISIFUFFKBHDATR-IBGZPJMESA-N 1 1 319.408 3.506 20 30 DHEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000609672473 1022328823 /nfs/dbraw/zinc/32/88/23/1022328823.db2.gz CDYAUUCBAPRGGS-LPHOPBHVSA-N 1 1 306.409 3.815 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](CCO)C2)cc1 ZINC000609848959 1022363098 /nfs/dbraw/zinc/36/30/98/1022363098.db2.gz UTRBRIDANMSLOU-QGZVFWFLSA-N 1 1 320.436 3.820 20 30 DHEDMO C[N@H+](CCCCC1(C#N)CCC1)Cc1csc(C(C)(C)O)n1 ZINC000930658693 1022378822 /nfs/dbraw/zinc/37/88/22/1022378822.db2.gz ROASAKJYNXFIJY-UHFFFAOYSA-N 1 1 321.490 3.666 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)Cc1csc(C(C)(C)O)n1 ZINC000930658693 1022378839 /nfs/dbraw/zinc/37/88/39/1022378839.db2.gz ROASAKJYNXFIJY-UHFFFAOYSA-N 1 1 321.490 3.666 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000183783688 1022392011 /nfs/dbraw/zinc/39/20/11/1022392011.db2.gz OBXHWFNTXUUGPJ-GFCCVEGCSA-N 1 1 312.816 3.554 20 30 DHEDMO C[C@H]1C[N@H+](Cc2sc(N)c(C#N)c2Cl)Cc2ccccc21 ZINC001141106834 1022398916 /nfs/dbraw/zinc/39/89/16/1022398916.db2.gz JLYGKKDPFXIGOJ-JTQLQIEISA-N 1 1 317.845 3.975 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2sc(N)c(C#N)c2Cl)Cc2ccccc21 ZINC001141106834 1022398925 /nfs/dbraw/zinc/39/89/25/1022398925.db2.gz JLYGKKDPFXIGOJ-JTQLQIEISA-N 1 1 317.845 3.975 20 30 DHEDMO COc1cc(C#N)ccc1CO[NH+]=C(N)CCCc1ccccc1 ZINC000766741047 1022435604 /nfs/dbraw/zinc/43/56/04/1022435604.db2.gz AWUDDPGELCNFFQ-UHFFFAOYSA-N 1 1 323.396 3.588 20 30 DHEDMO COc1cc(C#N)ccc1CO[NH+]=C(N)C1CCCCCC1 ZINC000766750458 1022446256 /nfs/dbraw/zinc/44/62/56/1022446256.db2.gz IDDIFQPHGFBMSS-UHFFFAOYSA-N 1 1 301.390 3.536 20 30 DHEDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cc(Cl)cc(C#N)c1 ZINC000930685850 1022451564 /nfs/dbraw/zinc/45/15/64/1022451564.db2.gz HYWXIIQIODSUAV-UHFFFAOYSA-N 1 1 316.836 3.603 20 30 DHEDMO CC[NH+](CC)[C@@H](CNCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000236845545 1022468648 /nfs/dbraw/zinc/46/86/48/1022468648.db2.gz HYZHISOBAWKQEG-OAQYLSRUSA-N 1 1 321.468 3.601 20 30 DHEDMO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000615447500 1022480289 /nfs/dbraw/zinc/48/02/89/1022480289.db2.gz KTDHFULXGBLIJV-IUODEOHRSA-N 1 1 312.335 3.663 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)OCC)CC1 ZINC001169707310 1022512247 /nfs/dbraw/zinc/51/22/47/1022512247.db2.gz PUWSHBQHGUTULJ-SFHVURJKSA-N 1 1 316.445 3.686 20 30 DHEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2cc(F)ccc2F)CCCC1(C)C ZINC001169843718 1022562047 /nfs/dbraw/zinc/56/20/47/1022562047.db2.gz IQPXBMYJBKUKOP-INIZCTEOSA-N 1 1 322.399 3.970 20 30 DHEDMO C=CC[C@@H]1[N@H+](CC(=O)Nc2cc(F)ccc2F)CCCC1(C)C ZINC001169843718 1022562057 /nfs/dbraw/zinc/56/20/57/1022562057.db2.gz IQPXBMYJBKUKOP-INIZCTEOSA-N 1 1 322.399 3.970 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001169845171 1022565045 /nfs/dbraw/zinc/56/50/45/1022565045.db2.gz SRVNMVGCWICDCQ-AWEZNQCLSA-N 1 1 315.363 3.997 20 30 DHEDMO CCCCCCC[N@@H+](CC)C1CCC(S(C)(=O)=O)CC1 ZINC001169885367 1022569703 /nfs/dbraw/zinc/56/97/03/1022569703.db2.gz RSRVFMWBPRTGLG-UHFFFAOYSA-N 1 1 303.512 3.635 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000157992350 1022590196 /nfs/dbraw/zinc/59/01/96/1022590196.db2.gz XAFHLDWGBREXSC-CALCHBBNSA-N 1 1 322.456 3.942 20 30 DHEDMO C#CCCC[N@@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000766913151 1022606718 /nfs/dbraw/zinc/60/67/18/1022606718.db2.gz DXQHSOYOKWFMLN-IRXDYDNUSA-N 1 1 320.477 3.654 20 30 DHEDMO C#CCCC[N@H+](Cc1cc(OC)c(OC)cc1OC)C(C)(C)C ZINC000766906699 1022612885 /nfs/dbraw/zinc/61/28/85/1022612885.db2.gz UCSGLKVLMUMJNL-UHFFFAOYSA-N 1 1 319.445 3.726 20 30 DHEDMO C#CCCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC)c1 ZINC000766904422 1022613025 /nfs/dbraw/zinc/61/30/25/1022613025.db2.gz FUMROEXDABPLOY-OAQYLSRUSA-N 1 1 323.436 3.644 20 30 DHEDMO C[C@@H]1CC(N=Nc2ccnc(F)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000767387281 1022707492 /nfs/dbraw/zinc/70/74/92/1022707492.db2.gz ZCBVJEKGBPAJLX-CQSZACIVSA-N 1 1 312.392 3.531 20 30 DHEDMO Cc1nc(C(F)(F)F)c(CO[NH+]=C(N)CCC(C)C)s1 ZINC000184198596 1022775782 /nfs/dbraw/zinc/77/57/82/1022775782.db2.gz MJWFNVYZDHDQGA-UHFFFAOYSA-N 1 1 309.357 3.695 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001172311369 1033079459 /nfs/dbraw/zinc/07/94/59/1033079459.db2.gz RWWAPMAGZXSFPB-INIZCTEOSA-N 1 1 307.441 3.687 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001172313001 1033081444 /nfs/dbraw/zinc/08/14/44/1033081444.db2.gz NKZUMXUDOJPVCS-UZLBHIALSA-N 1 1 312.457 3.770 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001172313467 1033081673 /nfs/dbraw/zinc/08/16/73/1033081673.db2.gz XGDMWKCLZOFMMH-OXJNMPFZSA-N 1 1 318.420 3.694 20 30 DHEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CCCCC1 ZINC000617004234 1022814440 /nfs/dbraw/zinc/81/44/40/1022814440.db2.gz NJNARJXCXCIBLE-MRXNPFEDSA-N 1 1 306.494 3.750 20 30 DHEDMO C=C(C)CN(CC)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000856764766 1022856805 /nfs/dbraw/zinc/85/68/05/1022856805.db2.gz MVRFIYHJOXXYGQ-GOSISDBHSA-N 1 1 300.446 3.534 20 30 DHEDMO CC#CCCCC(=O)O[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000768009386 1022861953 /nfs/dbraw/zinc/86/19/53/1022861953.db2.gz HUAJPVUNMMDDFI-MJGOQNOKSA-N 1 1 313.441 3.634 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1C#N ZINC000859164209 1033090718 /nfs/dbraw/zinc/09/07/18/1033090718.db2.gz WJINFHPKGPWMNM-ROUUACIJSA-N 1 1 310.397 3.548 20 30 DHEDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000768211500 1022923986 /nfs/dbraw/zinc/92/39/86/1022923986.db2.gz ZZTXVEMXVYEMLP-LLVKDONJSA-N 1 1 301.371 3.721 20 30 DHEDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000768211500 1022923996 /nfs/dbraw/zinc/92/39/96/1022923996.db2.gz ZZTXVEMXVYEMLP-LLVKDONJSA-N 1 1 301.371 3.721 20 30 DHEDMO N#Cc1cc(Cl)cc(C[NH+]2CCC(c3ccon3)CC2)c1 ZINC000931058426 1022951100 /nfs/dbraw/zinc/95/11/00/1022951100.db2.gz DVVNQRCEYAJFPE-UHFFFAOYSA-N 1 1 301.777 3.579 20 30 DHEDMO C=C[C@@H]1CCCCN1C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857195961 1022964695 /nfs/dbraw/zinc/96/46/95/1022964695.db2.gz LXCWAFXSPYXBHS-RBUKOAKNSA-N 1 1 312.457 3.677 20 30 DHEDMO C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@@](C)(C(F)F)O1 ZINC000931080827 1022970503 /nfs/dbraw/zinc/97/05/03/1022970503.db2.gz GDXPIHDHGHELTD-ZFWWWQNUSA-N 1 1 300.393 3.595 20 30 DHEDMO N#CC1(C[NH2+]Cc2ccc(Cl)c(Br)c2)CCC1 ZINC000418143106 1022976041 /nfs/dbraw/zinc/97/60/41/1022976041.db2.gz OVKDNRNGICAONK-UHFFFAOYSA-N 1 1 313.626 3.886 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(NC(=O)OC(C)(C)C)nc1)C(C)C ZINC000768551035 1022989222 /nfs/dbraw/zinc/98/92/22/1022989222.db2.gz PTOYWRHOBRCHIS-UHFFFAOYSA-N 1 1 305.422 3.825 20 30 DHEDMO C=CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C(C)C ZINC000768547938 1022993272 /nfs/dbraw/zinc/99/32/72/1022993272.db2.gz UKSWQAJWYMIEKT-UHFFFAOYSA-N 1 1 308.429 3.860 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001212325280 1022999791 /nfs/dbraw/zinc/99/97/91/1022999791.db2.gz MBBRTJXPPRTUFN-KRWDZBQOSA-N 1 1 316.364 3.565 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801572924 1023035397 /nfs/dbraw/zinc/03/53/97/1023035397.db2.gz JHDNIJUWZJWNJZ-YJBOKZPZSA-N 1 1 310.482 3.968 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(N(C)CCC#N)cc2)on1 ZINC000768879198 1023046260 /nfs/dbraw/zinc/04/62/60/1023046260.db2.gz TVPAWHMJQAUHSK-SFHVURJKSA-N 1 1 324.428 3.670 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](CC)c2ccccc2)c1 ZINC000768916222 1023056260 /nfs/dbraw/zinc/05/62/60/1023056260.db2.gz WBTBYSJPGRSEGY-SFHVURJKSA-N 1 1 320.436 3.732 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCOc3ccccc3[C@@H]2C)cc1 ZINC000768928573 1023060465 /nfs/dbraw/zinc/06/04/65/1023060465.db2.gz BIILVCDYJOIVOK-HOTGVXAUSA-N 1 1 322.408 3.933 20 30 DHEDMO C#CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)o1)Cc1ccc(F)cc1 ZINC000769145589 1023089109 /nfs/dbraw/zinc/08/91/09/1023089109.db2.gz IAFSHFOXUKODPR-UHFFFAOYSA-N 1 1 323.371 3.753 20 30 DHEDMO C#CC[N@H+](Cc1c[nH]nc1-c1ccc(C)o1)Cc1ccc(F)cc1 ZINC000769145589 1023089113 /nfs/dbraw/zinc/08/91/13/1023089113.db2.gz IAFSHFOXUKODPR-UHFFFAOYSA-N 1 1 323.371 3.753 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1 ZINC000769103916 1023092048 /nfs/dbraw/zinc/09/20/48/1023092048.db2.gz DPBFEFVQEKVKHU-LAUBAEHRSA-N 1 1 321.420 3.661 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1 ZINC000769103916 1023092062 /nfs/dbraw/zinc/09/20/62/1023092062.db2.gz DPBFEFVQEKVKHU-LAUBAEHRSA-N 1 1 321.420 3.661 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1CC[C@H]1Sc2ccccc2NC1=O ZINC000660429758 1023175034 /nfs/dbraw/zinc/17/50/34/1023175034.db2.gz PCEZEEFMFKGCDD-XJKSGUPXSA-N 1 1 302.443 3.530 20 30 DHEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CC[C@H](C)[C@@H](C)C1)C2 ZINC001172378927 1033115304 /nfs/dbraw/zinc/11/53/04/1033115304.db2.gz QIBLUGUJVACGKY-QXCZDIPSSA-N 1 1 307.478 3.637 20 30 DHEDMO C=CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617000228 1023315701 /nfs/dbraw/zinc/31/57/01/1023315701.db2.gz VWXHGKXSBDTZBU-FUHWJXTLSA-N 1 1 314.473 3.583 20 30 DHEDMO Cn1nc(C[NH2+][C@H](CCCC#N)c2ccccc2)cc1Cl ZINC000859314367 1033123569 /nfs/dbraw/zinc/12/35/69/1033123569.db2.gz SIZCTZYOUUOSQT-OAHLLOKOSA-N 1 1 302.809 3.598 20 30 DHEDMO Cn1nc(C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1Cl ZINC000859314363 1033124530 /nfs/dbraw/zinc/12/45/30/1033124530.db2.gz SIZCTZYOUUOSQT-HNNXBMFYSA-N 1 1 302.809 3.598 20 30 DHEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](c2nccn2C)c2ccccc2F)C1 ZINC000651673669 1023448721 /nfs/dbraw/zinc/44/87/21/1023448721.db2.gz SMYMQVAQARFAHY-RVKKMQEKSA-N 1 1 313.420 3.983 20 30 DHEDMO C=CCCCCCCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)N1CC=CC1 ZINC001279836385 1023499174 /nfs/dbraw/zinc/49/91/74/1023499174.db2.gz ACDXZCLISOSWDA-QUCCMNQESA-N 1 1 316.489 3.766 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000876794129 1033144951 /nfs/dbraw/zinc/14/49/51/1033144951.db2.gz MVJNEDILOJQGOD-FUHWJXTLSA-N 1 1 312.413 3.755 20 30 DHEDMO C=CC[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)[C@H](C)COC ZINC000661244877 1023538809 /nfs/dbraw/zinc/53/88/09/1023538809.db2.gz XBCOKVVDKMXKGT-GFCCVEGCSA-N 1 1 322.355 3.643 20 30 DHEDMO C=CC[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)[C@H](C)COC ZINC000661244877 1023538816 /nfs/dbraw/zinc/53/88/16/1023538816.db2.gz XBCOKVVDKMXKGT-GFCCVEGCSA-N 1 1 322.355 3.643 20 30 DHEDMO CCCCCCC[C@@H](CC)[N@H+]1Cc2ccnn2CC[C@@H]1CO ZINC001172362478 1033141731 /nfs/dbraw/zinc/14/17/31/1033141731.db2.gz ZBKKVBHTRKJJIR-SJLPKXTDSA-N 1 1 307.482 3.589 20 30 DHEDMO N#C[C@@H](c1ccccc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000595287526 1023638341 /nfs/dbraw/zinc/63/83/41/1023638341.db2.gz JGIJUXHAVNMMOH-FQEVSTJZSA-N 1 1 323.415 3.598 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000785997264 1023650731 /nfs/dbraw/zinc/65/07/31/1023650731.db2.gz KIEJLUYIUNBQCE-OAHLLOKOSA-N 1 1 313.397 3.602 20 30 DHEDMO C[N@H+](CCC(C)(C)C#N)[C@H](CO)c1cccc(Cl)c1Cl ZINC000595747411 1023669075 /nfs/dbraw/zinc/66/90/75/1023669075.db2.gz DIOYLVLXAVIDHE-CYBMUJFWSA-N 1 1 315.244 3.898 20 30 DHEDMO C[N@@H+](CCC(C)(C)C#N)[C@H](CO)c1cccc(Cl)c1Cl ZINC000595747411 1023669081 /nfs/dbraw/zinc/66/90/81/1023669081.db2.gz DIOYLVLXAVIDHE-CYBMUJFWSA-N 1 1 315.244 3.898 20 30 DHEDMO C=CC[N@H+](Cc1c(C)nc2sc(C)nn12)CC1CCCCC1 ZINC000538730910 1033153846 /nfs/dbraw/zinc/15/38/46/1033153846.db2.gz BZHNKQFSIXNKRS-UHFFFAOYSA-N 1 1 318.490 3.976 20 30 DHEDMO CC1CC[NH+](c2ccc(NCc3cccc(C#N)n3)cc2)CC1 ZINC000876839274 1033163166 /nfs/dbraw/zinc/16/31/66/1033163166.db2.gz STJXOYZJLUXZLQ-UHFFFAOYSA-N 1 1 306.413 3.802 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1 ZINC000787772534 1023820548 /nfs/dbraw/zinc/82/05/48/1023820548.db2.gz IFSRZMWBQUWGSZ-HXUWFJFHSA-N 1 1 315.420 3.892 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1 ZINC000787772534 1023820549 /nfs/dbraw/zinc/82/05/49/1023820549.db2.gz IFSRZMWBQUWGSZ-HXUWFJFHSA-N 1 1 315.420 3.892 20 30 DHEDMO C=CCOCc1nn(C)c2c1C[N@@H+]([C@@H](C)CCCC(C)C)CC2 ZINC001170079657 1023831109 /nfs/dbraw/zinc/83/11/09/1023831109.db2.gz FYBVJXHBFWWPAI-INIZCTEOSA-N 1 1 319.493 3.696 20 30 DHEDMO C#CC(C)(C)[N@@H+](C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000787997727 1023836716 /nfs/dbraw/zinc/83/67/16/1023836716.db2.gz QIOJXIUDQBSQLI-UHFFFAOYSA-N 1 1 302.418 3.877 20 30 DHEDMO C#CCC1(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CCCCC1 ZINC000788161016 1023860754 /nfs/dbraw/zinc/86/07/54/1023860754.db2.gz PHQUUAUHEYMJNI-GOSISDBHSA-N 1 1 318.505 3.589 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NCc1ccccc1Cl ZINC000662081299 1023887476 /nfs/dbraw/zinc/88/74/76/1023887476.db2.gz OHQAFSJGGRUTPY-BMFZPTHFSA-N 1 1 318.848 3.528 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000662085870 1023892717 /nfs/dbraw/zinc/89/27/17/1023892717.db2.gz LELFFFBXALZQFP-CWRNSKLLSA-N 1 1 314.429 3.588 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000662085870 1023892725 /nfs/dbraw/zinc/89/27/25/1023892725.db2.gz LELFFFBXALZQFP-CWRNSKLLSA-N 1 1 314.429 3.588 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1Sc2ccccc2NC1=O ZINC000662088552 1023896754 /nfs/dbraw/zinc/89/67/54/1023896754.db2.gz IYTUGAQACLUAFV-VBQJREDUSA-N 1 1 314.454 3.673 20 30 DHEDMO CCn1nc(C)c(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C ZINC000093872277 1023940689 /nfs/dbraw/zinc/94/06/89/1023940689.db2.gz PCHQZANRUKMKFU-AZUAARDMSA-N 1 1 322.456 3.792 20 30 DHEDMO CCn1nc(C)c(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C ZINC000093872277 1023940692 /nfs/dbraw/zinc/94/06/92/1023940692.db2.gz PCHQZANRUKMKFU-AZUAARDMSA-N 1 1 322.456 3.792 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc2c1OCO2 ZINC000093872228 1023941527 /nfs/dbraw/zinc/94/15/27/1023941527.db2.gz GLEYTPJTUCPELF-ROUUACIJSA-N 1 1 320.392 3.687 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc2c1OCO2 ZINC000093872228 1023941532 /nfs/dbraw/zinc/94/15/32/1023941532.db2.gz GLEYTPJTUCPELF-ROUUACIJSA-N 1 1 320.392 3.687 20 30 DHEDMO CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000268637929 1024135888 /nfs/dbraw/zinc/13/58/88/1024135888.db2.gz CWUVCBYDMYBPQV-MGPUTAFESA-N 1 1 324.424 3.683 20 30 DHEDMO CC[C@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268644343 1024137617 /nfs/dbraw/zinc/13/76/17/1024137617.db2.gz TXKXLEBALHYMIA-DLBZAZTESA-N 1 1 312.438 3.663 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268642378 1024137677 /nfs/dbraw/zinc/13/76/77/1024137677.db2.gz DSUBKPJDARSWGW-LXGCGDOSSA-N 1 1 324.399 3.609 20 30 DHEDMO CC[C@@H](c1ccncc1)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000130306258 1024150850 /nfs/dbraw/zinc/15/08/50/1024150850.db2.gz ULTHWQJZMGAYFL-IBGZPJMESA-N 1 1 309.413 3.805 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCSC(C)(C)CC2)cc1 ZINC000789762985 1024158649 /nfs/dbraw/zinc/15/86/49/1024158649.db2.gz CTTYXNSQOOZVAX-AWEZNQCLSA-N 1 1 304.459 3.695 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000269044579 1024230477 /nfs/dbraw/zinc/23/04/77/1024230477.db2.gz MFYBKJFECQMQQJ-LJQANCHMSA-N 1 1 321.424 3.665 20 30 DHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)C1CCC(C)CC1 ZINC000131056207 1024254364 /nfs/dbraw/zinc/25/43/64/1024254364.db2.gz MBMLOTJGPNUKJC-UHFFFAOYSA-N 1 1 323.444 3.593 20 30 DHEDMO N#Cc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)ccc1C(F)(F)F ZINC000269579122 1024291542 /nfs/dbraw/zinc/29/15/42/1024291542.db2.gz DVOWKEUHZRGBDD-UHFFFAOYSA-N 1 1 320.318 3.684 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1 ZINC000269641664 1024300805 /nfs/dbraw/zinc/30/08/05/1024300805.db2.gz JYYUWCDQMQCXOX-VQTJNVASSA-N 1 1 324.399 3.785 20 30 DHEDMO CC(C)(C)c1cnc(C[NH2+]Cc2ccc(OCC#N)cc2)s1 ZINC000790472251 1024309333 /nfs/dbraw/zinc/30/93/33/1024309333.db2.gz YALBHVOIAYMPSG-UHFFFAOYSA-N 1 1 315.442 3.633 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cnccc2C#N)C1 ZINC000094136690 1024319202 /nfs/dbraw/zinc/31/92/02/1024319202.db2.gz MJEAWIXPRIXIOT-MRXNPFEDSA-N 1 1 320.440 3.797 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2cc3c(ccnc3Cl)o2)CC1 ZINC000877009259 1033205858 /nfs/dbraw/zinc/20/58/58/1033205858.db2.gz KNMLTQXUHQVXJI-UHFFFAOYSA-N 1 1 319.836 3.611 20 30 DHEDMO C[N@@H+](CCCNc1ccc([N+](=O)[O-])c(C#N)c1)C1CCCCC1 ZINC000301767529 1024374169 /nfs/dbraw/zinc/37/41/69/1024374169.db2.gz IFPQZQQGAXJVRO-UHFFFAOYSA-N 1 1 316.405 3.533 20 30 DHEDMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(C#N)cc1 ZINC000790949728 1024402794 /nfs/dbraw/zinc/40/27/94/1024402794.db2.gz PXDZQGJQECIVJB-SNVBAGLBSA-N 1 1 304.752 3.907 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)c1ccccc1 ZINC000271075001 1024454761 /nfs/dbraw/zinc/45/47/61/1024454761.db2.gz QPTIQNPJHZVRKN-CQSZACIVSA-N 1 1 300.427 3.829 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC12CCC2 ZINC000271351802 1024493537 /nfs/dbraw/zinc/49/35/37/1024493537.db2.gz OSUMIWHEPHBPMK-AWEZNQCLSA-N 1 1 322.412 3.620 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)CC1CCC2(CC1)OCCO2 ZINC000791568955 1024516927 /nfs/dbraw/zinc/51/69/27/1024516927.db2.gz QTZBTDIUOGIGOZ-UHFFFAOYSA-N 1 1 315.457 3.998 20 30 DHEDMO CC(C)(C#N)CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000791649093 1024535248 /nfs/dbraw/zinc/53/52/48/1024535248.db2.gz REHLTVGSTCTZME-KRWDZBQOSA-N 1 1 314.429 3.524 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000791649093 1024535253 /nfs/dbraw/zinc/53/52/53/1024535253.db2.gz REHLTVGSTCTZME-KRWDZBQOSA-N 1 1 314.429 3.524 20 30 DHEDMO C=CCNC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001202570877 1024574370 /nfs/dbraw/zinc/57/43/70/1024574370.db2.gz XBJVWHQHQRTBGN-UHFFFAOYSA-N 1 1 307.397 3.510 20 30 DHEDMO C=CCNC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001202570877 1024574376 /nfs/dbraw/zinc/57/43/76/1024574376.db2.gz XBJVWHQHQRTBGN-UHFFFAOYSA-N 1 1 307.397 3.510 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274375338 1024576899 /nfs/dbraw/zinc/57/68/99/1024576899.db2.gz XKFKWAVWWGEZHI-LNLFQRSKSA-N 1 1 314.473 3.616 20 30 DHEDMO CCCCCCCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791824125 1024577863 /nfs/dbraw/zinc/57/78/63/1024577863.db2.gz PCIADMAODBTBRY-IBGZPJMESA-N 1 1 316.489 3.985 20 30 DHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC000339256416 1024582096 /nfs/dbraw/zinc/58/20/96/1024582096.db2.gz OOXHOARFWFCHNP-UHFFFAOYSA-N 1 1 315.461 3.528 20 30 DHEDMO CCCC#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](CC)CCCC ZINC001274653757 1024611719 /nfs/dbraw/zinc/61/17/19/1024611719.db2.gz FQBWSODGWHCVFT-GBESFXJTSA-N 1 1 318.505 3.682 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCc2cccc(Br)c2C1 ZINC001172495567 1033225189 /nfs/dbraw/zinc/22/51/89/1033225189.db2.gz FUGAHEWYUIQYBD-GFCCVEGCSA-N 1 1 307.235 3.890 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H]1C ZINC001172492353 1033226117 /nfs/dbraw/zinc/22/61/17/1033226117.db2.gz KIBXAVDDUYCGBR-OAGGEKHMSA-N 1 1 323.481 3.694 20 30 DHEDMO COC(=O)CCC[N@@H+](Cc1ccccc1)[C@@H](C)CCCC#N ZINC001172492496 1033226818 /nfs/dbraw/zinc/22/68/18/1033226818.db2.gz MHAOSGAYYNIOTL-INIZCTEOSA-N 1 1 302.418 3.524 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCc2c(Br)cccc2C1 ZINC001172499579 1033228668 /nfs/dbraw/zinc/22/86/68/1033228668.db2.gz FAZOQVUXOJBFOS-LBPRGKRZSA-N 1 1 307.235 3.890 20 30 DHEDMO C[N@@H+](CCSc1snc(Cl)c1C#N)Cc1ccccc1 ZINC000278991237 1024669208 /nfs/dbraw/zinc/66/92/08/1024669208.db2.gz DUZWUBCZUZGJBZ-UHFFFAOYSA-N 1 1 323.874 3.892 20 30 DHEDMO CCCC1CCC([N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000792467473 1024671294 /nfs/dbraw/zinc/67/12/94/1024671294.db2.gz LXVXUPPRRNHHFW-XUJQIHCRSA-N 1 1 300.446 3.882 20 30 DHEDMO C[C@@H](CCCC#N)[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172499415 1033229107 /nfs/dbraw/zinc/22/91/07/1033229107.db2.gz XBQWHQVEPCALMF-HRCADAONSA-N 1 1 321.465 3.543 20 30 DHEDMO C#CC[N@H+](CCCCOc1cccc(C(F)(F)F)c1)C1CC1 ZINC001307775771 1024705356 /nfs/dbraw/zinc/70/53/56/1024705356.db2.gz AGHASANOORMCNC-UHFFFAOYSA-N 1 1 311.347 3.962 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC001172501715 1033231284 /nfs/dbraw/zinc/23/12/84/1033231284.db2.gz FFKJMCLAQYPJLN-WMZOPIPTSA-N 1 1 314.429 3.524 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1ccccc1Cc1ccccc1)C1CC1 ZINC000538956988 1033232405 /nfs/dbraw/zinc/23/24/05/1033232405.db2.gz GLTONQYMMFGAFQ-UHFFFAOYSA-N 1 1 320.436 3.866 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1Cc1ccccc1)C1CC1 ZINC000538956988 1033232417 /nfs/dbraw/zinc/23/24/17/1033232417.db2.gz GLTONQYMMFGAFQ-UHFFFAOYSA-N 1 1 320.436 3.866 20 30 DHEDMO CCCCCCC[C@H](CCC)[NH2+]CCCN1CCN(C)CC1 ZINC001172503182 1033232900 /nfs/dbraw/zinc/23/29/00/1033232900.db2.gz WKAFFNSAXAPRTF-IBGZPJMESA-N 1 1 311.558 3.743 20 30 DHEDMO C#C[C@@H](CC)[NH2+][C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000792640742 1024755798 /nfs/dbraw/zinc/75/57/98/1024755798.db2.gz DOCIRSQMDKBRLZ-HKUYNNGSSA-N 1 1 306.409 3.676 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCc3ccncc3C2)CC1 ZINC001170389634 1024761825 /nfs/dbraw/zinc/76/18/25/1024761825.db2.gz WUXIXBOWSQHAJY-UHFFFAOYSA-N 1 1 317.436 3.844 20 30 DHEDMO C[N@@H+](Cc1cscn1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170394849 1024761913 /nfs/dbraw/zinc/76/19/13/1024761913.db2.gz CKHHSMWMLQGKPX-UHFFFAOYSA-N 1 1 311.454 3.979 20 30 DHEDMO CC(C)[C@H]1COCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170389412 1024762025 /nfs/dbraw/zinc/76/20/25/1024762025.db2.gz RFNOIJWLRXPCSS-IOJLRTSASA-N 1 1 312.457 3.747 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@]23CCOC3)CC1 ZINC001170395128 1024763624 /nfs/dbraw/zinc/76/36/24/1024763624.db2.gz HJRFYIYYIVZZJT-SOAGJPPSSA-N 1 1 310.441 3.645 20 30 DHEDMO CC[C@@]12C[C@@H](CO1)[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170395750 1024764239 /nfs/dbraw/zinc/76/42/39/1024764239.db2.gz OPZLJARHBLBDHK-PCODVIEZSA-N 1 1 310.441 3.644 20 30 DHEDMO CO[C@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)[C@@H](C)C1 ZINC001170406394 1024771026 /nfs/dbraw/zinc/77/10/26/1024771026.db2.gz YEWNWCRSPUGCCW-VHBXLISGSA-N 1 1 312.457 3.890 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCOC(F)(F)F)cc1 ZINC001168172296 1024786168 /nfs/dbraw/zinc/78/61/68/1024786168.db2.gz JYDBOBBCQBZTPQ-HNNXBMFYSA-N 1 1 314.351 3.958 20 30 DHEDMO CCOC(=O)C1([N@H+](Cc2ccccc2)[C@@H](C)CCCC#N)CC1 ZINC001172506158 1033234736 /nfs/dbraw/zinc/23/47/36/1033234736.db2.gz OSKKAISXLREXLB-INIZCTEOSA-N 1 1 314.429 3.667 20 30 DHEDMO CCOC(=O)C1([N@@H+](Cc2ccccc2)[C@@H](C)CCCC#N)CC1 ZINC001172506158 1033234748 /nfs/dbraw/zinc/23/47/48/1033234748.db2.gz OSKKAISXLREXLB-INIZCTEOSA-N 1 1 314.429 3.667 20 30 DHEDMO C#CCCCCCCCCC(=O)N1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001274796008 1024865923 /nfs/dbraw/zinc/86/59/23/1024865923.db2.gz LUXBURABSWMGMM-KDURUIRLSA-N 1 1 318.505 3.541 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931918550 1024870907 /nfs/dbraw/zinc/87/09/07/1024870907.db2.gz PWQXLZDYHFEXHW-ZDUSSCGKSA-N 1 1 316.273 3.564 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931918550 1024870926 /nfs/dbraw/zinc/87/09/26/1024870926.db2.gz PWQXLZDYHFEXHW-ZDUSSCGKSA-N 1 1 316.273 3.564 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CC[N@H+](C[C@H](CC)CCCC)C2)C1=O ZINC001275081218 1024906934 /nfs/dbraw/zinc/90/69/34/1024906934.db2.gz FGZUUCZMWQRRRM-IEBWSBKVSA-N 1 1 306.494 3.703 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@@]12CCN(CC(F)(F)F)C2=O ZINC001275111929 1024918460 /nfs/dbraw/zinc/91/84/60/1024918460.db2.gz TWENSYGEXDYGFW-HNNXBMFYSA-N 1 1 320.399 3.586 20 30 DHEDMO C#CCN1CC[C@]2(CCC[N@@H+]2CCCCCCCCCC)C1=O ZINC001275119796 1024924151 /nfs/dbraw/zinc/92/41/51/1024924151.db2.gz XEOUMOGSLCEGLK-HXUWFJFHSA-N 1 1 318.505 3.827 20 30 DHEDMO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCCCCCCCC ZINC001275118590 1024924685 /nfs/dbraw/zinc/92/46/85/1024924685.db2.gz FWJRETGYJZTHMS-RTBURBONSA-N 1 1 318.505 3.826 20 30 DHEDMO C=C(C)CN1c2ccccc2[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1=O ZINC001275130677 1024929291 /nfs/dbraw/zinc/92/92/91/1024929291.db2.gz OCICQDKYWAXQGN-NRFANRHFSA-N 1 1 324.468 3.743 20 30 DHEDMO COc1ccc(C[NH+]2CCC(F)(F)CC2)cc1OCCCC#N ZINC000793361097 1025002253 /nfs/dbraw/zinc/00/22/53/1025002253.db2.gz DKDKLRCQZNCCQF-UHFFFAOYSA-N 1 1 324.371 3.609 20 30 DHEDMO N#CCCn1cc(C[N@H+]2CCC23CCC3)c(-c2ccccc2)n1 ZINC000353665247 1025186858 /nfs/dbraw/zinc/18/68/58/1025186858.db2.gz JVVWTIFCPHTZRJ-UHFFFAOYSA-N 1 1 306.413 3.592 20 30 DHEDMO Cc1nc2c(s1)[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)CCC2 ZINC000877183200 1033266777 /nfs/dbraw/zinc/26/67/77/1033266777.db2.gz ZWAKPCURAYQBFX-LBPRGKRZSA-N 1 1 318.833 3.539 20 30 DHEDMO CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](CCC#N)C1CCCC1 ZINC001170442249 1025216166 /nfs/dbraw/zinc/21/61/66/1025216166.db2.gz KLBWXMSARFQKEA-MRXNPFEDSA-N 1 1 314.429 3.895 20 30 DHEDMO C=CCC1(O)CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000884722693 1025236378 /nfs/dbraw/zinc/23/63/78/1025236378.db2.gz IDXCDLGMOWSDII-UHFFFAOYSA-N 1 1 302.805 3.796 20 30 DHEDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000353767869 1025242925 /nfs/dbraw/zinc/24/29/25/1025242925.db2.gz MQKDDIQMNXNNOC-CVEARBPZSA-N 1 1 308.429 3.694 20 30 DHEDMO N#CCC1CC[NH+](Cc2cccc(F)c2OC(F)(F)F)CC1 ZINC000877190852 1033269293 /nfs/dbraw/zinc/26/92/93/1033269293.db2.gz BKLKYFXLRUECOJ-UHFFFAOYSA-N 1 1 316.298 3.850 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@]1(CO)CC(C)C ZINC001307736827 1025328403 /nfs/dbraw/zinc/32/84/03/1025328403.db2.gz LAIGQNXMUWDFDT-IBGZPJMESA-N 1 1 300.446 3.548 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000932079137 1025338507 /nfs/dbraw/zinc/33/85/07/1025338507.db2.gz NYYORSKSJCKHAE-MFKMUULPSA-N 1 1 300.349 3.599 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000932079137 1025338521 /nfs/dbraw/zinc/33/85/21/1025338521.db2.gz NYYORSKSJCKHAE-MFKMUULPSA-N 1 1 300.349 3.599 20 30 DHEDMO C=C(C)CN(Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1 ZINC000348351074 1025345872 /nfs/dbraw/zinc/34/58/72/1025345872.db2.gz CZVMXZSWOOYQLA-UHFFFAOYSA-N 1 1 315.486 3.783 20 30 DHEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC001168234056 1025360215 /nfs/dbraw/zinc/36/02/15/1025360215.db2.gz JSUFHLDJUONOJJ-KEYYUXOJSA-N 1 1 316.420 3.578 20 30 DHEDMO COc1cc(C)cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001211722523 1025382045 /nfs/dbraw/zinc/38/20/45/1025382045.db2.gz CIQVWMDOOBEQNP-UHFFFAOYSA-N 1 1 313.426 3.668 20 30 DHEDMO Cc1ccc([C@@H](C)[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)c(C)c1 ZINC000885963572 1025422121 /nfs/dbraw/zinc/42/21/21/1025422121.db2.gz OAZNOTYQYAIXRT-IAGOWNOFSA-N 1 1 300.446 3.741 20 30 DHEDMO C=CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC(C)C ZINC001275329601 1025440688 /nfs/dbraw/zinc/44/06/88/1025440688.db2.gz AXIQPYMGRLXRRV-QZTJIDSGSA-N 1 1 306.494 3.844 20 30 DHEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886021462 1025442700 /nfs/dbraw/zinc/44/27/00/1025442700.db2.gz WZPAFVZPDCSUBL-JLSDUUJJSA-N 1 1 316.420 3.653 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886027869 1025445717 /nfs/dbraw/zinc/44/57/17/1025445717.db2.gz JZCZJQKGWVQYCA-ZGXWSNOMSA-N 1 1 310.441 3.716 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886027869 1025445721 /nfs/dbraw/zinc/44/57/21/1025445721.db2.gz JZCZJQKGWVQYCA-ZGXWSNOMSA-N 1 1 310.441 3.716 20 30 DHEDMO C=CCCCCCC[N@@H+]1CCC[C@]12CCN(CC(=C)C)C2=O ZINC001275330135 1025447689 /nfs/dbraw/zinc/44/76/89/1025447689.db2.gz LWBHCQMRXZWJIM-LJQANCHMSA-N 1 1 304.478 3.766 20 30 DHEDMO C=C(C)C[N@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000728917320 1025455779 /nfs/dbraw/zinc/45/57/79/1025455779.db2.gz YUYWQTQGPLGCCN-HZPDHXFCSA-N 1 1 308.466 3.817 20 30 DHEDMO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000860038190 1033286955 /nfs/dbraw/zinc/28/69/55/1033286955.db2.gz PGIGOTWMHOPENN-HZMVEIRTSA-N 1 1 320.477 3.530 20 30 DHEDMO C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000860038193 1033287592 /nfs/dbraw/zinc/28/75/92/1033287592.db2.gz PGIGOTWMHOPENN-YVSFHVDLSA-N 1 1 320.477 3.530 20 30 DHEDMO C=C[C@](C)(CCOC)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000279946161 1025515999 /nfs/dbraw/zinc/51/59/99/1025515999.db2.gz HUCWTUKHMRYAKZ-QGZVFWFLSA-N 1 1 324.852 3.569 20 30 DHEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)OC(C)(C)C)C1 ZINC000860038192 1033287979 /nfs/dbraw/zinc/28/79/79/1033287979.db2.gz PGIGOTWMHOPENN-QAETUUGQSA-N 1 1 320.477 3.530 20 30 DHEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@H](C(=O)OC)C1 ZINC001172616858 1033290723 /nfs/dbraw/zinc/29/07/23/1033290723.db2.gz OMCIDZGOXPVUAT-ZWKOTPCHSA-N 1 1 301.430 3.797 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2ncc(CN(C)C)s2)CCCC1(C)C ZINC000348373711 1025577343 /nfs/dbraw/zinc/57/73/43/1025577343.db2.gz INTLSRSKCDNHNH-HNNXBMFYSA-N 1 1 307.507 3.771 20 30 DHEDMO CC(C)(C)[N@H+](Cc1ccsc1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886274618 1025578121 /nfs/dbraw/zinc/57/81/21/1025578121.db2.gz XPZZRYPQTBLXEY-HNNXBMFYSA-N 1 1 306.475 3.793 20 30 DHEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H]1CCC[C@H](C(=O)OC)C1 ZINC001172616857 1033292229 /nfs/dbraw/zinc/29/22/29/1033292229.db2.gz OMCIDZGOXPVUAT-ROUUACIJSA-N 1 1 301.430 3.797 20 30 DHEDMO CCN(Cc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355024034 1025582880 /nfs/dbraw/zinc/58/28/80/1025582880.db2.gz FGQGRANIIVIVNR-OAQYLSRUSA-N 1 1 319.452 3.655 20 30 DHEDMO CC[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355024034 1025582889 /nfs/dbraw/zinc/58/28/89/1025582889.db2.gz FGQGRANIIVIVNR-OAQYLSRUSA-N 1 1 319.452 3.655 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355024034 1025582896 /nfs/dbraw/zinc/58/28/96/1025582896.db2.gz FGQGRANIIVIVNR-OAQYLSRUSA-N 1 1 319.452 3.655 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001143544504 1025603464 /nfs/dbraw/zinc/60/34/64/1025603464.db2.gz FKJXTVDGTBMMHF-LLVKDONJSA-N 1 1 301.283 3.570 20 30 DHEDMO C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000886355986 1025604171 /nfs/dbraw/zinc/60/41/71/1025604171.db2.gz RDCJAQIWWYQWCD-HUUCEWRRSA-N 1 1 318.848 3.629 20 30 DHEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)C1 ZINC000886355986 1025604177 /nfs/dbraw/zinc/60/41/77/1025604177.db2.gz RDCJAQIWWYQWCD-HUUCEWRRSA-N 1 1 318.848 3.629 20 30 DHEDMO C=CC[N@H+](CC[S@@](=O)c1ccccc1)Cc1cccs1 ZINC000355269840 1025662108 /nfs/dbraw/zinc/66/21/08/1025662108.db2.gz IHENAXAAEJRYQC-HXUWFJFHSA-N 1 1 305.468 3.544 20 30 DHEDMO C=CC[N@@H+](CC[S@@](=O)c1ccccc1)Cc1cccs1 ZINC000355269840 1025662113 /nfs/dbraw/zinc/66/21/13/1025662113.db2.gz IHENAXAAEJRYQC-HXUWFJFHSA-N 1 1 305.468 3.544 20 30 DHEDMO Cc1cc[nH+]c(NCc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000131100943 1025684828 /nfs/dbraw/zinc/68/48/28/1025684828.db2.gz DXLKZWWVNRKISZ-UHFFFAOYSA-N 1 1 317.396 3.779 20 30 DHEDMO C=CCCC[N@@H+](C)Cc1ccc(OC)c(O)c1Br ZINC000355358202 1025693374 /nfs/dbraw/zinc/69/33/74/1025693374.db2.gz PFDOEZZCZVRZMN-UHFFFAOYSA-N 1 1 314.223 3.561 20 30 DHEDMO C=CCCC[N@H+](C)Cc1ccc(OC)c(O)c1Br ZINC000355358202 1025693390 /nfs/dbraw/zinc/69/33/90/1025693390.db2.gz PFDOEZZCZVRZMN-UHFFFAOYSA-N 1 1 314.223 3.561 20 30 DHEDMO COC(=O)c1cncc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000886553882 1025698889 /nfs/dbraw/zinc/69/88/89/1025698889.db2.gz XLWMBJWDEIKDQQ-KDOFPFPSSA-N 1 1 323.396 3.564 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000355439939 1025724185 /nfs/dbraw/zinc/72/41/85/1025724185.db2.gz PVADVIZAOOLBLP-LJQANCHMSA-N 1 1 312.457 3.563 20 30 DHEDMO CC[C@H](c1ccccc1)[N@@H+](CC)Cc1cnc2c(C#N)cnn2c1 ZINC000573564244 1025725871 /nfs/dbraw/zinc/72/58/71/1025725871.db2.gz BAWUFUMJBZGRMJ-GOSISDBHSA-N 1 1 319.412 3.574 20 30 DHEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H](CO)c1ccccc1 ZINC000614164793 1025786901 /nfs/dbraw/zinc/78/69/01/1025786901.db2.gz ZFKCQPHWOOMBRD-LJQANCHMSA-N 1 1 308.425 3.653 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@H]2CN2CCCC2)cc1 ZINC000614166319 1025789135 /nfs/dbraw/zinc/78/91/35/1025789135.db2.gz BFEFMNFZHAPRFK-LJQANCHMSA-N 1 1 311.473 3.548 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]2CN2CCCC2)cc1 ZINC000614166319 1025789150 /nfs/dbraw/zinc/78/91/50/1025789150.db2.gz BFEFMNFZHAPRFK-LJQANCHMSA-N 1 1 311.473 3.548 20 30 DHEDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168945 1025790543 /nfs/dbraw/zinc/79/05/43/1025790543.db2.gz KHZFQAXAGGNGLL-GOSISDBHSA-N 1 1 313.489 3.651 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@@H+](CCO)CCc2ccccc2)cc1 ZINC000614166939 1025795383 /nfs/dbraw/zinc/79/53/83/1025795383.db2.gz OHLMLISZQYKOON-UHFFFAOYSA-N 1 1 322.452 3.525 20 30 DHEDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614171275 1025802148 /nfs/dbraw/zinc/80/21/48/1025802148.db2.gz HNSAESXEVCOHPS-GOSISDBHSA-N 1 1 300.446 3.735 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000614177467 1025806642 /nfs/dbraw/zinc/80/66/42/1025806642.db2.gz NWLREGYVYRWQCU-GOSISDBHSA-N 1 1 312.457 3.736 20 30 DHEDMO COCCCC[N@@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000052798085 1025811998 /nfs/dbraw/zinc/81/19/98/1025811998.db2.gz QCFWNORJSSETPV-UHFFFAOYSA-N 1 1 308.425 3.987 20 30 DHEDMO N#CCSCCC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000074990642 1025829350 /nfs/dbraw/zinc/82/93/50/1025829350.db2.gz DCLJQGOKHHZNPX-UHFFFAOYSA-N 1 1 318.486 3.562 20 30 DHEDMO CSC[C@@H]1CCC[N@H+]1Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000135441654 1025842097 /nfs/dbraw/zinc/84/20/97/1025842097.db2.gz XBSMXGPPEQQVAB-HNNXBMFYSA-N 1 1 313.426 3.541 20 30 DHEDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075747719 1025849964 /nfs/dbraw/zinc/84/99/64/1025849964.db2.gz YTHOGEKQLFNJIN-INIZCTEOSA-N 1 1 310.401 3.619 20 30 DHEDMO C=CC[N@H+](Cc1cnc2c(c1)c(C)nn2C)CC1CCCCC1 ZINC000261481897 1025899916 /nfs/dbraw/zinc/89/99/16/1025899916.db2.gz VXVYUCYRBHYSAB-UHFFFAOYSA-N 1 1 312.461 3.845 20 30 DHEDMO C[C@@H]1CCCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000078575445 1025947726 /nfs/dbraw/zinc/94/77/26/1025947726.db2.gz GYZGYPGKLCHERZ-OAHLLOKOSA-N 1 1 309.413 3.612 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000078575445 1025947741 /nfs/dbraw/zinc/94/77/41/1025947741.db2.gz GYZGYPGKLCHERZ-OAHLLOKOSA-N 1 1 309.413 3.612 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000886830546 1025952940 /nfs/dbraw/zinc/95/29/40/1025952940.db2.gz SYOBBPZKJMPFRV-RDJZCZTQSA-N 1 1 323.358 3.558 20 30 DHEDMO C#CCCOc1ccc(C[NH2+]C(C)(C)c2ncc(C)s2)cc1 ZINC000080346393 1025969892 /nfs/dbraw/zinc/96/98/92/1025969892.db2.gz DJDXJEXQTZHQLC-UHFFFAOYSA-N 1 1 314.454 3.879 20 30 DHEDMO C=CCC1(C(=O)NCCC[N@H+](CC)C2CCCCC2)CCC1 ZINC001130786892 1025996792 /nfs/dbraw/zinc/99/67/92/1025996792.db2.gz UGCURBZQWDZQRH-UHFFFAOYSA-N 1 1 306.494 3.894 20 30 DHEDMO CSCCC[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356293846 1026010318 /nfs/dbraw/zinc/01/03/18/1026010318.db2.gz FWPFDIWXBUVYRA-UHFFFAOYSA-N 1 1 302.365 3.762 20 30 DHEDMO C[N@@H+](CCCCC#N)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245386197 1026035626 /nfs/dbraw/zinc/03/56/26/1026035626.db2.gz LBMZZMPULSZDQT-CABCVRRESA-N 1 1 313.228 3.577 20 30 DHEDMO Cc1ccncc1C[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356399462 1026040734 /nfs/dbraw/zinc/04/07/34/1026040734.db2.gz CMIBWGNHPLOPTC-UHFFFAOYSA-N 1 1 319.330 3.913 20 30 DHEDMO Cc1ccncc1C[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356399462 1026040753 /nfs/dbraw/zinc/04/07/53/1026040753.db2.gz CMIBWGNHPLOPTC-UHFFFAOYSA-N 1 1 319.330 3.913 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000356526670 1026078018 /nfs/dbraw/zinc/07/80/18/1026078018.db2.gz ONJMRTQAPFHFOF-OALUTQOASA-N 1 1 313.441 3.785 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000532968079 1026152683 /nfs/dbraw/zinc/15/26/83/1026152683.db2.gz ROHUGCXTBFIDKY-HNNXBMFYSA-N 1 1 304.434 3.700 20 30 DHEDMO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000532957852 1026156726 /nfs/dbraw/zinc/15/67/26/1026156726.db2.gz KHDPTGXVKDGQIO-HRAATJIYSA-N 1 1 320.436 3.961 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000245736961 1026187624 /nfs/dbraw/zinc/18/76/24/1026187624.db2.gz FTIGQKAUCGKFSE-LSDHHAIUSA-N 1 1 306.475 3.966 20 30 DHEDMO CCCOc1ccc2c(c1)CC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000533078400 1026207795 /nfs/dbraw/zinc/20/77/95/1026207795.db2.gz XZEDIMVEJZVSMC-UHFFFAOYSA-N 1 1 306.409 3.905 20 30 DHEDMO CCCOc1ccc2c(c1)CC[N@H+](Cc1cccc(C#N)c1)C2 ZINC000533078400 1026207804 /nfs/dbraw/zinc/20/78/04/1026207804.db2.gz XZEDIMVEJZVSMC-UHFFFAOYSA-N 1 1 306.409 3.905 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000614402021 1026298456 /nfs/dbraw/zinc/29/84/56/1026298456.db2.gz IDCIYKHRDHUZTD-NRFANRHFSA-N 1 1 319.452 3.968 20 30 DHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000808777983 1026392413 /nfs/dbraw/zinc/39/24/13/1026392413.db2.gz IUUBXXBETSOJOX-AWEZNQCLSA-N 1 1 304.821 3.864 20 30 DHEDMO C=C(Cl)CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000747531798 1026412953 /nfs/dbraw/zinc/41/29/53/1026412953.db2.gz PRKNJAFXKPRJRI-SFHVURJKSA-N 1 1 304.865 3.727 20 30 DHEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000513466850 1026516030 /nfs/dbraw/zinc/51/60/30/1026516030.db2.gz LOGACJQEDBWAAH-INIZCTEOSA-N 1 1 320.864 3.573 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC3)C2)cc1Cl ZINC000513466850 1026516034 /nfs/dbraw/zinc/51/60/34/1026516034.db2.gz LOGACJQEDBWAAH-INIZCTEOSA-N 1 1 320.864 3.573 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(C3CC3)C2)cc1Cl ZINC000513466850 1026516040 /nfs/dbraw/zinc/51/60/40/1026516040.db2.gz LOGACJQEDBWAAH-INIZCTEOSA-N 1 1 320.864 3.573 20 30 DHEDMO C#CC[N@H+](CCCc1cnccc1C)[C@@H]1CCc2ccccc21 ZINC000809539298 1026548219 /nfs/dbraw/zinc/54/82/19/1026548219.db2.gz PDFMEYUAOHWYCS-OAQYLSRUSA-N 1 1 304.437 3.945 20 30 DHEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H](c3ccncc3)C2)cc1 ZINC000809567744 1026553256 /nfs/dbraw/zinc/55/32/56/1026553256.db2.gz OWMWAAWIYLDBIF-LJQANCHMSA-N 1 1 321.424 3.602 20 30 DHEDMO C#Cc1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000809545468 1026555783 /nfs/dbraw/zinc/55/57/83/1026555783.db2.gz LQILIBHIKXDBPL-UHFFFAOYSA-N 1 1 306.365 3.741 20 30 DHEDMO C#Cc1ccc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000809556118 1026558929 /nfs/dbraw/zinc/55/89/29/1026558929.db2.gz ICTRBSNIMRNNJB-WIYYLYMNSA-N 1 1 310.485 3.754 20 30 DHEDMO C#Cc1ccc(C[NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000809610791 1026562916 /nfs/dbraw/zinc/56/29/16/1026562916.db2.gz DYESSMCUBAUSEY-JOCHJYFZSA-N 1 1 318.464 3.670 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000809593244 1026568168 /nfs/dbraw/zinc/56/81/68/1026568168.db2.gz UJGBPWHGMHVTCR-LEWJYISDSA-N 1 1 300.405 3.940 20 30 DHEDMO C#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 ZINC000809699952 1026589764 /nfs/dbraw/zinc/58/97/64/1026589764.db2.gz UXVUSYQYVWNGTC-VSKRKVRLSA-N 1 1 317.432 3.672 20 30 DHEDMO C#C[C@H]([NH2+]Cc1csc(COc2ccc(C)cc2)n1)C(C)C ZINC000809685271 1026593016 /nfs/dbraw/zinc/59/30/16/1026593016.db2.gz KTZMMWOBEOSWDA-KRWDZBQOSA-N 1 1 314.454 3.778 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000809729330 1026594887 /nfs/dbraw/zinc/59/48/87/1026594887.db2.gz SKEIZLVTDRGMRN-DNVCBOLYSA-N 1 1 307.397 3.710 20 30 DHEDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809765107 1026620299 /nfs/dbraw/zinc/62/02/99/1026620299.db2.gz LBLWEHSEXOVBLA-KXBFYZLASA-N 1 1 309.413 3.956 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000809764166 1026620781 /nfs/dbraw/zinc/62/07/81/1026620781.db2.gz UBWFTNVMZSRWDG-HNNXBMFYSA-N 1 1 307.397 3.537 20 30 DHEDMO C#CCCOc1ccc(C[N@H+](C)Cc2ccccc2N(C)C)cc1 ZINC000809789151 1026627515 /nfs/dbraw/zinc/62/75/15/1026627515.db2.gz ZHVWHMVYAXYATM-UHFFFAOYSA-N 1 1 322.452 3.787 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC000810067417 1026676994 /nfs/dbraw/zinc/67/69/94/1026676994.db2.gz VRJICTDJDHNBOA-AWEZNQCLSA-N 1 1 322.415 3.737 20 30 DHEDMO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000183193643 1026705843 /nfs/dbraw/zinc/70/58/43/1026705843.db2.gz PFYIDFYOESMIAI-TXPKVOOTSA-N 1 1 311.473 3.862 20 30 DHEDMO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(C#N)c1 ZINC000183193643 1026705852 /nfs/dbraw/zinc/70/58/52/1026705852.db2.gz PFYIDFYOESMIAI-TXPKVOOTSA-N 1 1 311.473 3.862 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@H]2NC1CC[NH+](C2CCCCC2)CC1 ZINC000618801450 1026791277 /nfs/dbraw/zinc/79/12/77/1026791277.db2.gz AYAZCLVVPRMCRV-OAQYLSRUSA-N 1 1 323.484 3.932 20 30 DHEDMO C[C@H]1CCCCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072634938 1026852086 /nfs/dbraw/zinc/85/20/86/1026852086.db2.gz DCVRZZDTKPPDER-AWEZNQCLSA-N 1 1 317.458 3.505 20 30 DHEDMO C=C(C)COc1cc(C[N@H+](CCC)CC(C)(C)O)ccc1OC ZINC000513732137 1026874307 /nfs/dbraw/zinc/87/43/07/1026874307.db2.gz BGEKJGMTKBAHQU-UHFFFAOYSA-N 1 1 321.461 3.633 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420956417 1026892009 /nfs/dbraw/zinc/89/20/09/1026892009.db2.gz YEEZTAABHOXVEE-CYBMUJFWSA-N 1 1 312.335 3.601 20 30 DHEDMO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CCCC(C)(C)C#N)C1 ZINC000421017338 1026917028 /nfs/dbraw/zinc/91/70/28/1026917028.db2.gz LWCZZNDLFAOXTL-HUUCEWRRSA-N 1 1 308.466 3.616 20 30 DHEDMO CCC(CC)c1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)on1 ZINC000421321020 1026953743 /nfs/dbraw/zinc/95/37/43/1026953743.db2.gz AVYJVTNKCJWRAD-UHFFFAOYSA-N 1 1 301.365 3.879 20 30 DHEDMO COCCCCc1ccc[nH+]c1NCc1ccc(C#N)c(F)c1 ZINC000421353971 1026959115 /nfs/dbraw/zinc/95/91/15/1026959115.db2.gz GQNOHMKPHCPEQW-UHFFFAOYSA-N 1 1 313.376 3.674 20 30 DHEDMO CCCn1c(C[NH2+]Cc2ccc(C#N)s2)nc2ccccc21 ZINC000421354540 1026959991 /nfs/dbraw/zinc/95/99/91/1026959991.db2.gz RVRIRSFSYJLJFI-UHFFFAOYSA-N 1 1 310.426 3.669 20 30 DHEDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(C#N)s1 ZINC000421362300 1026963327 /nfs/dbraw/zinc/96/33/27/1026963327.db2.gz NCPXAQGFGNAIET-QWHCGFSZSA-N 1 1 320.458 3.562 20 30 DHEDMO CC(C)C[C@@H](C[N@H+](C[C@@H](C)C#N)C1CC1)NC(=O)OC(C)(C)C ZINC000811465828 1027007944 /nfs/dbraw/zinc/00/79/44/1027007944.db2.gz OUTLFPPAUVQHKL-GJZGRUSLSA-N 1 1 323.481 3.550 20 30 DHEDMO CC(C)C[C@@H](C[N@@H+](C[C@@H](C)C#N)C1CC1)NC(=O)OC(C)(C)C ZINC000811465828 1027007950 /nfs/dbraw/zinc/00/79/50/1027007950.db2.gz OUTLFPPAUVQHKL-GJZGRUSLSA-N 1 1 323.481 3.550 20 30 DHEDMO COc1ccc(C[NH2+]Cc2ccnc(Cl)c2Cl)cc1C#N ZINC000811485095 1027009587 /nfs/dbraw/zinc/00/95/87/1027009587.db2.gz WLKMIHYTPAALNV-UHFFFAOYSA-N 1 1 322.195 3.558 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000811517048 1027017832 /nfs/dbraw/zinc/01/78/32/1027017832.db2.gz GVLHDYQYRGIWQY-INIZCTEOSA-N 1 1 313.784 3.575 20 30 DHEDMO C[C@H]1C(N=Nc2cc(Cl)ccn2)CC[N@H+]1Cc1ccccc1 ZINC000811646955 1027049002 /nfs/dbraw/zinc/04/90/02/1027049002.db2.gz RZENACFKRLAZCK-ZDUSSCGKSA-N 1 1 314.820 3.797 20 30 DHEDMO C[N@@H+]1CC[C@H](NCc2ccc(C#N)s2)C[C@@H]1c1ccccc1 ZINC000421891016 1027079731 /nfs/dbraw/zinc/07/97/31/1027079731.db2.gz VSMIEMYVYCORKO-MAUKXSAKSA-N 1 1 311.454 3.545 20 30 DHEDMO C[N@H+]1CC[C@H](NCc2ccc(C#N)s2)C[C@@H]1c1ccccc1 ZINC000421891016 1027079737 /nfs/dbraw/zinc/07/97/37/1027079737.db2.gz VSMIEMYVYCORKO-MAUKXSAKSA-N 1 1 311.454 3.545 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c1O ZINC000811780510 1027082220 /nfs/dbraw/zinc/08/22/20/1027082220.db2.gz OCUPFEBSHVKYKO-GFCCVEGCSA-N 1 1 311.372 3.606 20 30 DHEDMO COCC[N@H+](Cc1cc(C#N)ccc1F)C[C@H]1CC=CCC1 ZINC000362244062 1027111632 /nfs/dbraw/zinc/11/16/32/1027111632.db2.gz IRJIVLHRMJICIR-HNNXBMFYSA-N 1 1 302.393 3.502 20 30 DHEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CCOc2ccccc2C#N)C1 ZINC000362384743 1027174766 /nfs/dbraw/zinc/17/47/66/1027174766.db2.gz KSDILCKLWPTRER-HZPDHXFCSA-N 1 1 304.459 3.543 20 30 DHEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CC(c2ccccc2)C1 ZINC000362385835 1027178946 /nfs/dbraw/zinc/17/89/46/1027178946.db2.gz JNHFTKQLKWUUKX-UHFFFAOYSA-N 1 1 316.408 3.584 20 30 DHEDMO CC(C)(C)c1ncc(C[NH2+]Cc2ccc(C#N)cc2F)s1 ZINC000105642517 1027227189 /nfs/dbraw/zinc/22/71/89/1027227189.db2.gz QMTJYAQRBBWDJY-UHFFFAOYSA-N 1 1 303.406 3.741 20 30 DHEDMO C=CCC[C@H]([NH2+]Cc1nc(-c2ccccn2)no1)c1ccccc1 ZINC000362482695 1027238316 /nfs/dbraw/zinc/23/83/16/1027238316.db2.gz GJGDSYXPCXJKFY-INIZCTEOSA-N 1 1 320.396 3.929 20 30 DHEDMO N#Cc1ccccc1CSCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422987451 1027385122 /nfs/dbraw/zinc/38/51/22/1027385122.db2.gz IKIRWEYGKGWQQQ-OALUTQOASA-N 1 1 323.465 3.526 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)C1 ZINC000932191528 1027402861 /nfs/dbraw/zinc/40/28/61/1027402861.db2.gz MLXLYKKMIQIERX-HZSPNIEDSA-N 1 1 301.459 3.503 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)CC1 ZINC000932193325 1027407896 /nfs/dbraw/zinc/40/78/96/1027407896.db2.gz BPLXBQLZRFVJIU-GPANFISMSA-N 1 1 303.475 3.728 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@@H]1CCc3cc(F)cc(F)c3C1)C2 ZINC001170689188 1027439801 /nfs/dbraw/zinc/43/98/01/1027439801.db2.gz HSCMQOPQOUQZKI-GOSISDBHSA-N 1 1 324.374 3.752 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812847312 1027441579 /nfs/dbraw/zinc/44/15/79/1027441579.db2.gz ANDAHQBFBHWCLX-UZLBHIALSA-N 1 1 308.425 3.811 20 30 DHEDMO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000574946536 1027442747 /nfs/dbraw/zinc/44/27/47/1027442747.db2.gz LNKFFGKJXFNRRR-AQNXPRMDSA-N 1 1 311.473 3.571 20 30 DHEDMO CC[N@@H+](Cc1cccc(C#N)c1F)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812848241 1027446023 /nfs/dbraw/zinc/44/60/23/1027446023.db2.gz IMCQINDTHUXJFY-IFXJQAMLSA-N 1 1 312.388 3.641 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@H]1CCc3cc(F)cc(F)c3C1)CC2 ZINC001170689497 1027455902 /nfs/dbraw/zinc/45/59/02/1027455902.db2.gz KSTZGYWNZSTEKQ-SFHVURJKSA-N 1 1 324.374 3.752 20 30 DHEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cccc(C(F)F)c2C#N)C1 ZINC000575137185 1027456559 /nfs/dbraw/zinc/45/65/59/1027456559.db2.gz RWWCJVJOBYHKNB-ZDUSSCGKSA-N 1 1 307.388 3.664 20 30 DHEDMO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCS1 ZINC000575962110 1027536790 /nfs/dbraw/zinc/53/67/90/1027536790.db2.gz ZIPQJMYAFGNYQU-ZDUSSCGKSA-N 1 1 314.376 3.904 20 30 DHEDMO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCS1 ZINC000575962110 1027536802 /nfs/dbraw/zinc/53/68/02/1027536802.db2.gz ZIPQJMYAFGNYQU-ZDUSSCGKSA-N 1 1 314.376 3.904 20 30 DHEDMO Cc1ccncc1CCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000576313353 1027600328 /nfs/dbraw/zinc/60/03/28/1027600328.db2.gz CBYKSKPSIWIZEG-UHFFFAOYSA-N 1 1 317.436 3.984 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@H+]2CCCC2CCCC2)C1=O ZINC001275831383 1027620846 /nfs/dbraw/zinc/62/08/46/1027620846.db2.gz OSLUFIUAYVKDRX-LJQANCHMSA-N 1 1 304.478 3.600 20 30 DHEDMO N#Cc1csc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000576511463 1027625765 /nfs/dbraw/zinc/62/57/65/1027625765.db2.gz ODVQVAJYJZRUGK-BBWFWOEESA-N 1 1 309.438 3.783 20 30 DHEDMO COc1ccccc1NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000363429251 1027631869 /nfs/dbraw/zinc/63/18/69/1027631869.db2.gz JSNMIMUBSRZQCA-UHFFFAOYSA-N 1 1 321.424 3.643 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccc(OC)c1 ZINC000778152829 1027665798 /nfs/dbraw/zinc/66/57/98/1027665798.db2.gz XGRGHINOSBMAIO-UHFFFAOYSA-N 1 1 315.800 3.650 20 30 DHEDMO CCCCCCC[C@@H](C)CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000813591969 1027671556 /nfs/dbraw/zinc/67/15/56/1027671556.db2.gz BBIHHJHUARMGRB-IEBWSBKVSA-N 1 1 323.525 3.720 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778992709 1027729798 /nfs/dbraw/zinc/72/97/98/1027729798.db2.gz XWOWHYKTVNHOET-XHSDSOJGSA-N 1 1 310.482 3.966 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(F)cc(C(C)=O)c1O ZINC000778996007 1027748358 /nfs/dbraw/zinc/74/83/58/1027748358.db2.gz JHGZPVDUDAYBJQ-UHFFFAOYSA-N 1 1 317.360 3.558 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@@H+]2CCCCC/C=C\CC)C1=O ZINC001275863348 1027765935 /nfs/dbraw/zinc/76/59/35/1027765935.db2.gz ZKKOPZLPWFWHNH-SFFCAUCYSA-N 1 1 304.478 3.766 20 30 DHEDMO Cc1cc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c(C)s1 ZINC000933623734 1027778891 /nfs/dbraw/zinc/77/88/91/1027778891.db2.gz DMYCVRTUVCZAHU-GOSISDBHSA-N 1 1 312.438 3.810 20 30 DHEDMO Cc1cc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c(C)s1 ZINC000933623734 1027778904 /nfs/dbraw/zinc/77/89/04/1027778904.db2.gz DMYCVRTUVCZAHU-GOSISDBHSA-N 1 1 312.438 3.810 20 30 DHEDMO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933648957 1027785884 /nfs/dbraw/zinc/78/58/84/1027785884.db2.gz UFJRLYKBPPOGGS-KRWDZBQOSA-N 1 1 321.367 3.754 20 30 DHEDMO N#CCC[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000600759384 1027814020 /nfs/dbraw/zinc/81/40/20/1027814020.db2.gz CYISRXWZNYGPTK-GFCCVEGCSA-N 1 1 311.248 3.879 20 30 DHEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1ccccc1OC(F)F ZINC000933779125 1027823377 /nfs/dbraw/zinc/82/33/77/1027823377.db2.gz YGNPDSQBCHJFAS-UHFFFAOYSA-N 1 1 308.353 3.853 20 30 DHEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1OC(F)F ZINC000933779125 1027823396 /nfs/dbraw/zinc/82/33/96/1027823396.db2.gz YGNPDSQBCHJFAS-UHFFFAOYSA-N 1 1 308.353 3.853 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000778205446 1027856786 /nfs/dbraw/zinc/85/67/86/1027856786.db2.gz CYMNAMOBECKOAE-LJQANCHMSA-N 1 1 300.446 3.943 20 30 DHEDMO Cn1cc(C[N@H+](C)[C@H](c2ccccc2)c2ccccn2)cc1C#N ZINC000365275729 1027915853 /nfs/dbraw/zinc/91/58/53/1027915853.db2.gz PACCFDGXMYTWEG-HXUWFJFHSA-N 1 1 316.408 3.513 20 30 DHEDMO Cn1cc(C[N@@H+](C)[C@H](c2ccccc2)c2ccccn2)cc1C#N ZINC000365275729 1027915868 /nfs/dbraw/zinc/91/58/68/1027915868.db2.gz PACCFDGXMYTWEG-HXUWFJFHSA-N 1 1 316.408 3.513 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1ccc2c(c1)OCCO2 ZINC000577819400 1027938694 /nfs/dbraw/zinc/93/86/94/1027938694.db2.gz QBHAEBRUPSCPGS-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO C[N@H+]1CC[C@H](CNc2c(C#N)cccc2C#N)[C@H]1c1cccs1 ZINC000365462787 1027951404 /nfs/dbraw/zinc/95/14/04/1027951404.db2.gz PYVJTAXGOOUVLJ-QAPCUYQASA-N 1 1 322.437 3.596 20 30 DHEDMO C[C@@H]1CSCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000934301120 1027954177 /nfs/dbraw/zinc/95/41/77/1027954177.db2.gz SXBKBMUQXVJBDZ-GFCCVEGCSA-N 1 1 310.850 3.570 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000298767036 1027962279 /nfs/dbraw/zinc/96/22/79/1027962279.db2.gz CZKJHERQEBLOLX-INIZCTEOSA-N 1 1 312.413 3.646 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1ccccc1C ZINC000298767036 1027962288 /nfs/dbraw/zinc/96/22/88/1027962288.db2.gz CZKJHERQEBLOLX-INIZCTEOSA-N 1 1 312.413 3.646 20 30 DHEDMO CC(C)(C#N)CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000365598211 1027975977 /nfs/dbraw/zinc/97/59/77/1027975977.db2.gz KQAATSIBIZYPBE-FUHWJXTLSA-N 1 1 303.494 3.655 20 30 DHEDMO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000365598211 1027975986 /nfs/dbraw/zinc/97/59/86/1027975986.db2.gz KQAATSIBIZYPBE-FUHWJXTLSA-N 1 1 303.494 3.655 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000365598211 1027975993 /nfs/dbraw/zinc/97/59/93/1027975993.db2.gz KQAATSIBIZYPBE-FUHWJXTLSA-N 1 1 303.494 3.655 20 30 DHEDMO CC(C)(C#N)CCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000365598211 1027976004 /nfs/dbraw/zinc/97/60/04/1027976004.db2.gz KQAATSIBIZYPBE-FUHWJXTLSA-N 1 1 303.494 3.655 20 30 DHEDMO CC(C)(C#N)CCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000365598211 1027976011 /nfs/dbraw/zinc/97/60/11/1027976011.db2.gz KQAATSIBIZYPBE-FUHWJXTLSA-N 1 1 303.494 3.655 20 30 DHEDMO C[C@H](NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000527953351 1027986985 /nfs/dbraw/zinc/98/69/85/1027986985.db2.gz WNWWZPWCPVBUOR-KSSFIOAISA-N 1 1 315.436 3.755 20 30 DHEDMO C[C@H](NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000527953351 1027986988 /nfs/dbraw/zinc/98/69/88/1027986988.db2.gz WNWWZPWCPVBUOR-KSSFIOAISA-N 1 1 315.436 3.755 20 30 DHEDMO C=CCCC[N@H+](CC)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000934647432 1028065569 /nfs/dbraw/zinc/06/55/69/1028065569.db2.gz ZFAIQPUYUGHCTO-UHFFFAOYSA-N 1 1 305.447 3.802 20 30 DHEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000366346864 1028075239 /nfs/dbraw/zinc/07/52/39/1028075239.db2.gz JIYQHFUJHKWSCY-KBAYOESNSA-N 1 1 312.457 3.733 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(-n2ccnc2)nc1 ZINC000366403036 1028078788 /nfs/dbraw/zinc/07/87/88/1028078788.db2.gz XBXBIJDHXNLTIZ-UHFFFAOYSA-N 1 1 318.424 3.846 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000934877741 1028135968 /nfs/dbraw/zinc/13/59/68/1028135968.db2.gz SORFCGMPDNUBJN-YOEHRIQHSA-N 1 1 301.434 3.666 20 30 DHEDMO CC(=NNc1ccc(F)cc1F)c1ccc(C[NH+](C)C)cc1 ZINC000814686559 1028152856 /nfs/dbraw/zinc/15/28/56/1028152856.db2.gz NSSZGIQIPYFGFG-UHFFFAOYSA-N 1 1 303.356 3.863 20 30 DHEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCCCC1 ZINC000448926657 1028182593 /nfs/dbraw/zinc/18/25/93/1028182593.db2.gz VVMHSRBXMJYENR-MRXNPFEDSA-N 1 1 304.478 3.646 20 30 DHEDMO CCc1nccc([C@H]2CCC[N@@H+](CC(C)(C)CCC#N)C2)n1 ZINC000367433308 1028185207 /nfs/dbraw/zinc/18/52/07/1028185207.db2.gz VQCCBEIHQJRWRL-HNNXBMFYSA-N 1 1 300.450 3.548 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000159769045 1028220400 /nfs/dbraw/zinc/22/04/00/1028220400.db2.gz JQXFFMCSTHLSOT-UHFFFAOYSA-N 1 1 313.397 3.598 20 30 DHEDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)CCO2 ZINC000367716756 1028230377 /nfs/dbraw/zinc/23/03/77/1028230377.db2.gz BMJYESLZHXBGIW-MRXNPFEDSA-N 1 1 322.408 3.681 20 30 DHEDMO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)CCO2 ZINC000367716756 1028230397 /nfs/dbraw/zinc/23/03/97/1028230397.db2.gz BMJYESLZHXBGIW-MRXNPFEDSA-N 1 1 322.408 3.681 20 30 DHEDMO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccc(F)c2ccccc12 ZINC000814885897 1028263507 /nfs/dbraw/zinc/26/35/07/1028263507.db2.gz MLIBZZOECXTYJH-QZTJIDSGSA-N 1 1 324.403 3.563 20 30 DHEDMO C[C@H]1C(N=Nc2ccnc(F)c2)CCC[N@H+]1Cc1ccccc1 ZINC000814902791 1028267650 /nfs/dbraw/zinc/26/76/50/1028267650.db2.gz VONBDYGMYDPJIP-AWEZNQCLSA-N 1 1 312.392 3.673 20 30 DHEDMO COc1ccc(N=NC2CCC[N@@H+](Cc3ccccc3)[C@H]2C)nc1 ZINC000814909506 1028275693 /nfs/dbraw/zinc/27/56/93/1028275693.db2.gz YWGKSHIOFPDBEG-HNNXBMFYSA-N 1 1 324.428 3.543 20 30 DHEDMO C[C@H]1C(=NOCCC(F)(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000814909321 1028275871 /nfs/dbraw/zinc/27/58/71/1028275871.db2.gz HBFDBMUNLBFMMQ-ZDUSSCGKSA-N 1 1 314.351 3.996 20 30 DHEDMO CCC(=[NH+]Nc1ccc(C)c(C(=O)OC)c1)c1cccc(N)c1 ZINC000814937300 1028295146 /nfs/dbraw/zinc/29/51/46/1028295146.db2.gz BCZPGBIFVADAKU-UHFFFAOYSA-N 1 1 311.385 3.590 20 30 DHEDMO COc1ccc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)cc1C#N ZINC000564101533 1028305785 /nfs/dbraw/zinc/30/57/85/1028305785.db2.gz OJIODOPNYSPOSX-LJQANCHMSA-N 1 1 310.372 3.638 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)cc1C#N ZINC000564101533 1028305805 /nfs/dbraw/zinc/30/58/05/1028305805.db2.gz OJIODOPNYSPOSX-LJQANCHMSA-N 1 1 310.372 3.638 20 30 DHEDMO C[N@@H+](CCc1ccccc1O)Cc1ccccc1C(C)(C)C#N ZINC000564157830 1028331572 /nfs/dbraw/zinc/33/15/72/1028331572.db2.gz RQSSANDKDSTWLZ-UHFFFAOYSA-N 1 1 308.425 3.868 20 30 DHEDMO O[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)Cc2ccccc21 ZINC000368322467 1028334671 /nfs/dbraw/zinc/33/46/71/1028334671.db2.gz BSQWYUVCJBJWOK-IBGZPJMESA-N 1 1 311.812 3.631 20 30 DHEDMO CCC(CC)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)N1CCCC1 ZINC000449078461 1028341871 /nfs/dbraw/zinc/34/18/71/1028341871.db2.gz XSNMEDBRPOSIFK-XBMUEBEBSA-N 1 1 305.510 3.949 20 30 DHEDMO C=C(C)C[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000049067458 1028358106 /nfs/dbraw/zinc/35/81/06/1028358106.db2.gz RYHLTBXOASNFBD-CQSZACIVSA-N 1 1 313.228 3.972 20 30 DHEDMO C=C(C)C[N@H+]1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000049067458 1028358124 /nfs/dbraw/zinc/35/81/24/1028358124.db2.gz RYHLTBXOASNFBD-CQSZACIVSA-N 1 1 313.228 3.972 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)nc1 ZINC000564220891 1028364803 /nfs/dbraw/zinc/36/48/03/1028364803.db2.gz QSNJBOPBWUHGEY-AWEZNQCLSA-N 1 1 309.335 3.508 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)nc1 ZINC000564220891 1028364819 /nfs/dbraw/zinc/36/48/19/1028364819.db2.gz QSNJBOPBWUHGEY-AWEZNQCLSA-N 1 1 309.335 3.508 20 30 DHEDMO C=CC[C@H]([NH2+]Cc1ncc(CSC)s1)c1ccncc1 ZINC000815124680 1028371065 /nfs/dbraw/zinc/37/10/65/1028371065.db2.gz HTXWQKFBTBBQPQ-AWEZNQCLSA-N 1 1 305.472 3.808 20 30 DHEDMO N#CCCCC[N@@H+]1CCCc2c(Br)cccc2C1 ZINC000368779832 1028406126 /nfs/dbraw/zinc/40/61/26/1028406126.db2.gz PEQQGJMAVTUVDL-UHFFFAOYSA-N 1 1 307.235 3.891 20 30 DHEDMO C=CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815203214 1028426422 /nfs/dbraw/zinc/42/64/22/1028426422.db2.gz UXYKWUQQNKFKDY-HZPDHXFCSA-N 1 1 308.466 3.674 20 30 DHEDMO C=CC[C@H](C(=O)OCC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000778419365 1028427734 /nfs/dbraw/zinc/42/77/34/1028427734.db2.gz RVUKFTVREFOCSL-MSOLQXFVSA-N 1 1 301.430 3.764 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)Cc1ccccc1O ZINC000779154661 1028458514 /nfs/dbraw/zinc/45/85/14/1028458514.db2.gz WXXNXGVURORUQH-UHFFFAOYSA-N 1 1 315.800 3.690 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)Cc1ccccc1O ZINC000779154661 1028458520 /nfs/dbraw/zinc/45/85/20/1028458520.db2.gz WXXNXGVURORUQH-UHFFFAOYSA-N 1 1 315.800 3.690 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2Cc3ccccc3OC[C@H]2C)cc1 ZINC000369225769 1028463126 /nfs/dbraw/zinc/46/31/26/1028463126.db2.gz KDBKRESWCJHBHS-CVEARBPZSA-N 1 1 322.408 3.761 20 30 DHEDMO CC[C@]1(C)CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075998361 1028550016 /nfs/dbraw/zinc/55/00/16/1028550016.db2.gz KNIILSIVZNTSKI-GOSISDBHSA-N 1 1 310.401 3.620 20 30 DHEDMO COCCCCc1ccc[nH+]c1NC1CCC(C)(C#N)CC1 ZINC000449334674 1028568284 /nfs/dbraw/zinc/56/82/84/1028568284.db2.gz GHEXQOYKYHBIAG-UHFFFAOYSA-N 1 1 301.434 3.935 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)nc1 ZINC000565312187 1028571484 /nfs/dbraw/zinc/57/14/84/1028571484.db2.gz PDNKRPDHCQVOFN-INIZCTEOSA-N 1 1 309.388 3.862 20 30 DHEDMO N#Cc1ccc([C@H](O)C[N@@H+]2CC=C(c3cccc(F)c3)CC2)cc1 ZINC000370557346 1028617575 /nfs/dbraw/zinc/61/75/75/1028617575.db2.gz KGUZULRRJRXAIE-HXUWFJFHSA-N 1 1 322.383 3.520 20 30 DHEDMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(C#N)cn3)CC2(C)C)c1 ZINC000528628270 1028619782 /nfs/dbraw/zinc/61/97/82/1028619782.db2.gz YDYNAPJEVNKFJX-IBGZPJMESA-N 1 1 321.424 3.587 20 30 DHEDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000370733876 1028642314 /nfs/dbraw/zinc/64/23/14/1028642314.db2.gz ROEMRHXIHGPMBX-QGZVFWFLSA-N 1 1 322.456 3.601 20 30 DHEDMO C[C@H]1C[C@@H](c2cccs2)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000371397877 1028701622 /nfs/dbraw/zinc/70/16/22/1028701622.db2.gz FUCNRABFOWTZAY-DZGCQCFKSA-N 1 1 322.437 3.645 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1Cl ZINC000566562038 1028743525 /nfs/dbraw/zinc/74/35/25/1028743525.db2.gz AUQLHBLNLGRYOZ-ZBFHGGJFSA-N 1 1 307.821 3.516 20 30 DHEDMO C=CCCC[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001170814519 1028754883 /nfs/dbraw/zinc/75/48/83/1028754883.db2.gz TZZCQQZYUHBABT-QGZVFWFLSA-N 1 1 308.466 3.866 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](O)c3ccccc3C2)cc1 ZINC000371870671 1028770769 /nfs/dbraw/zinc/77/07/69/1028770769.db2.gz RVVSQCMMUGNINU-OAQYLSRUSA-N 1 1 321.420 3.528 20 30 DHEDMO C=C[C@@H](CC)CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC001135462223 1028782858 /nfs/dbraw/zinc/78/28/58/1028782858.db2.gz XWFZPGBJFYUOMD-XJKSGUPXSA-N 1 1 308.853 3.661 20 30 DHEDMO CC1(C)[C@H](c2cccc(F)c2)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000528768878 1028785099 /nfs/dbraw/zinc/78/50/99/1028785099.db2.gz DMQKPORMZUZZHW-SFHVURJKSA-N 1 1 309.388 3.860 20 30 DHEDMO C[N@@H+]1CC[C@@H](NCC#Cc2ccccc2Cl)[C@H]1c1ccccc1 ZINC000566884118 1028796486 /nfs/dbraw/zinc/79/64/86/1028796486.db2.gz DECFDSYUFZWWDV-WOJBJXKFSA-N 1 1 324.855 3.727 20 30 DHEDMO C[N@H+]1CC[C@@H](NCC#Cc2ccccc2Cl)[C@H]1c1ccccc1 ZINC000566884118 1028796501 /nfs/dbraw/zinc/79/65/01/1028796501.db2.gz DECFDSYUFZWWDV-WOJBJXKFSA-N 1 1 324.855 3.727 20 30 DHEDMO C#CCCCCC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816450898 1028889802 /nfs/dbraw/zinc/88/98/02/1028889802.db2.gz DXTAKTXSQJNJFX-HKUYNNGSSA-N 1 1 313.441 3.634 20 30 DHEDMO C=C[C@@H](CC(=O)NCc1[nH+]c(C)n2c1CCCC2)c1ccccc1 ZINC000372861798 1028912151 /nfs/dbraw/zinc/91/21/51/1028912151.db2.gz YQMJMRHYRWKNJO-INIZCTEOSA-N 1 1 323.440 3.504 20 30 DHEDMO C=CCOc1c(Cl)cc(C[N@H+](C)Cc2ccc[nH]2)cc1OC ZINC000628188187 1028924889 /nfs/dbraw/zinc/92/48/89/1028924889.db2.gz QUKOEFGRNQNWCL-UHFFFAOYSA-N 1 1 320.820 3.874 20 30 DHEDMO C=CCOc1c(Cl)cc(C[N@@H+](C)Cc2ccc[nH]2)cc1OC ZINC000628188187 1028924900 /nfs/dbraw/zinc/92/49/00/1028924900.db2.gz QUKOEFGRNQNWCL-UHFFFAOYSA-N 1 1 320.820 3.874 20 30 DHEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1Cl)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000372986248 1028930729 /nfs/dbraw/zinc/93/07/29/1028930729.db2.gz VQLDPTMIZZVYGP-XZJROXQQSA-N 1 1 322.811 3.596 20 30 DHEDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cn1 ZINC000567911644 1028973769 /nfs/dbraw/zinc/97/37/69/1028973769.db2.gz WRMAIBDJLBZICG-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cn1 ZINC000567911644 1028973783 /nfs/dbraw/zinc/97/37/83/1028973783.db2.gz WRMAIBDJLBZICG-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)cc2cccnc21 ZINC000026329163 1028999102 /nfs/dbraw/zinc/99/91/02/1028999102.db2.gz LFOKINPUIPQBLG-UHFFFAOYSA-N 1 1 305.356 3.878 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2c(C(C)C)nc3sc(C)nn23)C1 ZINC000628405799 1029042218 /nfs/dbraw/zinc/04/22/18/1029042218.db2.gz UYNHPBIDFNEHSO-CYBMUJFWSA-N 1 1 304.463 3.621 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000628405797 1029042460 /nfs/dbraw/zinc/04/24/60/1029042460.db2.gz UXIPCBQPHGXEOU-GFCCVEGCSA-N 1 1 303.356 3.753 20 30 DHEDMO C=CC[N@H+](CCCc1cnccc1C)Cc1cccc(C#N)c1 ZINC000568444973 1029068799 /nfs/dbraw/zinc/06/87/99/1029068799.db2.gz IKSYKUAXEDPJGK-UHFFFAOYSA-N 1 1 305.425 3.883 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000411306080 1029094506 /nfs/dbraw/zinc/09/45/06/1029094506.db2.gz LACIKBABWYSJFJ-ICSRJNTNSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@@H](CCC#N)[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000411306080 1029094519 /nfs/dbraw/zinc/09/45/19/1029094519.db2.gz LACIKBABWYSJFJ-ICSRJNTNSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@@H](CCC#N)[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000411306080 1029094530 /nfs/dbraw/zinc/09/45/30/1029094530.db2.gz LACIKBABWYSJFJ-ICSRJNTNSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@@H](CCC#N)[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000411306080 1029094548 /nfs/dbraw/zinc/09/45/48/1029094548.db2.gz LACIKBABWYSJFJ-ICSRJNTNSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000411306080 1029094568 /nfs/dbraw/zinc/09/45/68/1029094568.db2.gz LACIKBABWYSJFJ-ICSRJNTNSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@@H](CCC#N)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000411306080 1029094575 /nfs/dbraw/zinc/09/45/75/1029094575.db2.gz LACIKBABWYSJFJ-ICSRJNTNSA-N 1 1 311.473 3.667 20 30 DHEDMO C[C@@H](CCC#N)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000411306080 1029094593 /nfs/dbraw/zinc/09/45/93/1029094593.db2.gz LACIKBABWYSJFJ-ICSRJNTNSA-N 1 1 311.473 3.667 20 30 DHEDMO C=CCC1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CCC1 ZINC000190645860 1029096926 /nfs/dbraw/zinc/09/69/26/1029096926.db2.gz AQHXTARKQOCRHR-INIZCTEOSA-N 1 1 320.864 3.805 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000411496256 1029139173 /nfs/dbraw/zinc/13/91/73/1029139173.db2.gz XHTOCHYOSQUASV-AWEZNQCLSA-N 1 1 317.385 3.759 20 30 DHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N1CCCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000411551949 1029155790 /nfs/dbraw/zinc/15/57/90/1029155790.db2.gz FXDXUXRCMKMZHP-FZKQIMNGSA-N 1 1 322.399 3.573 20 30 DHEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(C)sc1C ZINC001276172003 1029174136 /nfs/dbraw/zinc/17/41/36/1029174136.db2.gz LOQGKYOROUHCFP-IAGOWNOFSA-N 1 1 318.486 3.506 20 30 DHEDMO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ccco1 ZINC000569132165 1029181792 /nfs/dbraw/zinc/18/17/92/1029181792.db2.gz VOJYQHDFHIFSCC-OAHLLOKOSA-N 1 1 302.349 3.654 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411737046 1029193991 /nfs/dbraw/zinc/19/39/91/1029193991.db2.gz OJPZIRFEIOUEJH-PMACEKPBSA-N 1 1 324.399 3.702 20 30 DHEDMO CN(CCC(C)(C)C#N)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000719932085 1029233454 /nfs/dbraw/zinc/23/34/54/1029233454.db2.gz LJKUUEAQPITEEW-LJQANCHMSA-N 1 1 313.489 3.913 20 30 DHEDMO C[N@H+](CCC(C)(C)C#N)C[C@H]1CCCCN1Cc1ccccc1 ZINC000719932085 1029233468 /nfs/dbraw/zinc/23/34/68/1029233468.db2.gz LJKUUEAQPITEEW-LJQANCHMSA-N 1 1 313.489 3.913 20 30 DHEDMO C[N@@H+](CCC(C)(C)C#N)C[C@H]1CCCCN1Cc1ccccc1 ZINC000719932085 1029233479 /nfs/dbraw/zinc/23/34/79/1029233479.db2.gz LJKUUEAQPITEEW-LJQANCHMSA-N 1 1 313.489 3.913 20 30 DHEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CCCC1 ZINC000450186390 1029245813 /nfs/dbraw/zinc/24/58/13/1029245813.db2.gz HUQVNYPMGPOWNW-QGZVFWFLSA-N 1 1 306.494 3.607 20 30 DHEDMO Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC(C)(C)C#N)C2)s1 ZINC000569727292 1029256057 /nfs/dbraw/zinc/25/60/57/1029256057.db2.gz PTIGPZXGZCBEBV-INIZCTEOSA-N 1 1 319.518 3.750 20 30 DHEDMO Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC(C)(C)C#N)C2)s1 ZINC000569727292 1029256069 /nfs/dbraw/zinc/25/60/69/1029256069.db2.gz PTIGPZXGZCBEBV-INIZCTEOSA-N 1 1 319.518 3.750 20 30 DHEDMO Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC(C)(C)C#N)C2)s1 ZINC000569727292 1029256081 /nfs/dbraw/zinc/25/60/81/1029256081.db2.gz PTIGPZXGZCBEBV-INIZCTEOSA-N 1 1 319.518 3.750 20 30 DHEDMO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(C)(C)C#N)C2)s1 ZINC000569727292 1029256091 /nfs/dbraw/zinc/25/60/91/1029256091.db2.gz PTIGPZXGZCBEBV-INIZCTEOSA-N 1 1 319.518 3.750 20 30 DHEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(C)(C)C#N)C2)s1 ZINC000569727292 1029256103 /nfs/dbraw/zinc/25/61/03/1029256103.db2.gz PTIGPZXGZCBEBV-INIZCTEOSA-N 1 1 319.518 3.750 20 30 DHEDMO Cc1ccc(CN2CC[C@@H](C[N@H+](C)CCC(C)(C)C#N)C2)s1 ZINC000569727292 1029256109 /nfs/dbraw/zinc/25/61/09/1029256109.db2.gz PTIGPZXGZCBEBV-INIZCTEOSA-N 1 1 319.518 3.750 20 30 DHEDMO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)CCC(C)(C)C#N)C2)s1 ZINC000569727292 1029256121 /nfs/dbraw/zinc/25/61/21/1029256121.db2.gz PTIGPZXGZCBEBV-INIZCTEOSA-N 1 1 319.518 3.750 20 30 DHEDMO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000218681648 1029305306 /nfs/dbraw/zinc/30/53/06/1029305306.db2.gz NTFSCHHMCIZSJA-NSHDSACASA-N 1 1 321.421 3.660 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000218681648 1029305316 /nfs/dbraw/zinc/30/53/16/1029305316.db2.gz NTFSCHHMCIZSJA-NSHDSACASA-N 1 1 321.421 3.660 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000817966499 1029306587 /nfs/dbraw/zinc/30/65/87/1029306587.db2.gz PBQUAWHBULIMJV-YJBOKZPZSA-N 1 1 322.880 3.858 20 30 DHEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCCC1 ZINC000450278441 1029324154 /nfs/dbraw/zinc/32/41/54/1029324154.db2.gz RTPVMMCNZYNLMM-QZTJIDSGSA-N 1 1 312.457 3.685 20 30 DHEDMO C[C@@H](C1CC1)[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000374906788 1029495020 /nfs/dbraw/zinc/49/50/20/1029495020.db2.gz CZZOAKDIAQRWME-AWEZNQCLSA-N 1 1 320.440 3.722 20 30 DHEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000450626965 1029574955 /nfs/dbraw/zinc/57/49/55/1029574955.db2.gz VZLQESOLLQVJJS-INIZCTEOSA-N 1 1 308.429 3.503 20 30 DHEDMO N#CC1(C[N@@H+]2C[C@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000450616862 1029581260 /nfs/dbraw/zinc/58/12/60/1029581260.db2.gz SBBVALGNMRVVMH-CABCVRRESA-N 1 1 324.346 3.507 20 30 DHEDMO N#CC1(C[N@H+]2C[C@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)CCC1 ZINC000450616862 1029581268 /nfs/dbraw/zinc/58/12/68/1029581268.db2.gz SBBVALGNMRVVMH-CABCVRRESA-N 1 1 324.346 3.507 20 30 DHEDMO C[N@@H+](CC1(C#N)CCC1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000450748177 1029632687 /nfs/dbraw/zinc/63/26/87/1029632687.db2.gz VWFQTRBCDWOWSE-SJORKVTESA-N 1 1 302.393 3.671 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(F)(c3ccccn3)CC2)cc1F ZINC000450928241 1029740411 /nfs/dbraw/zinc/74/04/11/1029740411.db2.gz FVTGFCVJFPGYPD-UHFFFAOYSA-N 1 1 313.351 3.553 20 30 DHEDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)ccc1C#N ZINC000450958324 1029749178 /nfs/dbraw/zinc/74/91/78/1029749178.db2.gz MUOSQXSCDKMEED-ZCNNSNEGSA-N 1 1 312.457 3.772 20 30 DHEDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@]2(C)O)ccc1C#N ZINC000450958321 1029750108 /nfs/dbraw/zinc/75/01/08/1029750108.db2.gz MUOSQXSCDKMEED-AQNXPRMDSA-N 1 1 312.457 3.772 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000451003472 1029762823 /nfs/dbraw/zinc/76/28/23/1029762823.db2.gz UWBQBCJUYIAESB-UHFFFAOYSA-N 1 1 305.853 3.792 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@H](c3ccncc3)C2)c1 ZINC000451007264 1029764652 /nfs/dbraw/zinc/76/46/52/1029764652.db2.gz UABGZPYVTMXDRP-GOSISDBHSA-N 1 1 310.828 3.966 20 30 DHEDMO CC[N@@H+](Cc1ccc2nonc2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821362203 1029832285 /nfs/dbraw/zinc/83/22/85/1029832285.db2.gz DKMXXCLHCFKCRT-ZDUSSCGKSA-N 1 1 306.369 3.678 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451415082 1029871865 /nfs/dbraw/zinc/87/18/65/1029871865.db2.gz JFRZMTAORWAIDA-UHOSZYNNSA-N 1 1 312.457 3.613 20 30 DHEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1CCOc1ccccc1C#N ZINC000451425844 1029873031 /nfs/dbraw/zinc/87/30/31/1029873031.db2.gz YRXBMRVOJRSJQK-TZMCWYRMSA-N 1 1 312.335 3.600 20 30 DHEDMO N#CCCCC[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451567128 1029919154 /nfs/dbraw/zinc/91/91/54/1029919154.db2.gz KWDOMWFTDXYAAM-AWEZNQCLSA-N 1 1 307.235 3.932 20 30 DHEDMO C=CCCC[N@H+](Cc1cccc(OC)c1)C1CCC(O)CC1 ZINC000304222402 1029921665 /nfs/dbraw/zinc/92/16/65/1029921665.db2.gz JOYKAEZGHBXFLY-UHFFFAOYSA-N 1 1 303.446 3.767 20 30 DHEDMO CCC[N@H+](Cc1nc(-c2ccoc2)no1)Cc1ccc(C#N)cc1 ZINC000357272510 1029974240 /nfs/dbraw/zinc/97/42/40/1029974240.db2.gz UKMDVZUFNUKASD-UHFFFAOYSA-N 1 1 322.368 3.613 20 30 DHEDMO CCC[N@@H+](Cc1nc(-c2ccoc2)no1)Cc1ccc(C#N)cc1 ZINC000357272510 1029974254 /nfs/dbraw/zinc/97/42/54/1029974254.db2.gz UKMDVZUFNUKASD-UHFFFAOYSA-N 1 1 322.368 3.613 20 30 DHEDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C12CCC2 ZINC000451852641 1030026428 /nfs/dbraw/zinc/02/64/28/1030026428.db2.gz OCPKTTABVIGKSE-ZWKOTPCHSA-N 1 1 312.457 3.877 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](CF)c2ccc(F)cc2)cc1 ZINC000865822576 1030041979 /nfs/dbraw/zinc/04/19/79/1030041979.db2.gz KRWNDGHFDNHHDP-FZKQIMNGSA-N 1 1 316.351 3.917 20 30 DHEDMO N#CCCC[C@@H]([NH3+])c1nc(Cc2cccc3ccccc32)no1 ZINC000822701221 1030105290 /nfs/dbraw/zinc/10/52/90/1030105290.db2.gz MDKLDPJNZLDXGL-MRXNPFEDSA-N 1 1 306.369 3.507 20 30 DHEDMO CC(C)(C)C[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000452069356 1030110508 /nfs/dbraw/zinc/11/05/08/1030110508.db2.gz DTVGRMMMFTZVLV-OAHLLOKOSA-N 1 1 324.428 3.866 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)Cc1cnc(OC)c(Cl)c1 ZINC000533096714 1030127302 /nfs/dbraw/zinc/12/73/02/1030127302.db2.gz LMCROXYSBBZDLN-UHFFFAOYSA-N 1 1 302.805 3.932 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cnc(OC)c(Cl)c1 ZINC000533096714 1030127317 /nfs/dbraw/zinc/12/73/17/1030127317.db2.gz LMCROXYSBBZDLN-UHFFFAOYSA-N 1 1 302.805 3.932 20 30 DHEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000357716937 1030163446 /nfs/dbraw/zinc/16/34/46/1030163446.db2.gz PGGZMXGAJNNBLE-QWHCGFSZSA-N 1 1 319.836 3.661 20 30 DHEDMO C[C@@H]([NH2+][C@@H]1CSCc2ccccc21)c1cccc(C#N)c1O ZINC000866250033 1030180509 /nfs/dbraw/zinc/18/05/09/1030180509.db2.gz SKHKPICBZURWEA-SJKOYZFVSA-N 1 1 310.422 3.903 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000533292121 1030248321 /nfs/dbraw/zinc/24/83/21/1030248321.db2.gz SNQUHRXULZWKHY-KBPBESRZSA-N 1 1 304.459 3.634 20 30 DHEDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000533299453 1030260122 /nfs/dbraw/zinc/26/01/22/1030260122.db2.gz BNEGDSRPYLUWGF-ZDUSSCGKSA-N 1 1 319.836 3.662 20 30 DHEDMO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccoc1 ZINC000533323042 1030268156 /nfs/dbraw/zinc/26/81/56/1030268156.db2.gz FGLORDKACGDDME-UHFFFAOYSA-N 1 1 309.287 3.662 20 30 DHEDMO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccoc1 ZINC000533323042 1030268171 /nfs/dbraw/zinc/26/81/71/1030268171.db2.gz FGLORDKACGDDME-UHFFFAOYSA-N 1 1 309.287 3.662 20 30 DHEDMO C=CCC[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]2CCCC[C@H]21 ZINC000533368223 1030309551 /nfs/dbraw/zinc/30/95/51/1030309551.db2.gz WIUPPAIGWSZEJM-DFBDCSAJSA-N 1 1 306.494 3.746 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1c(F)cccc1F ZINC000823617753 1030341862 /nfs/dbraw/zinc/34/18/62/1030341862.db2.gz MFJVEABHPLEVEH-PXAZEXFGSA-N 1 1 316.351 3.563 20 30 DHEDMO CCCCC[C@H](C)NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000823616905 1030343745 /nfs/dbraw/zinc/34/37/45/1030343745.db2.gz DKWQWQZIZOSICP-HOTGVXAUSA-N 1 1 315.461 3.636 20 30 DHEDMO CCCCC[C@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000823616905 1030343760 /nfs/dbraw/zinc/34/37/60/1030343760.db2.gz DKWQWQZIZOSICP-HOTGVXAUSA-N 1 1 315.461 3.636 20 30 DHEDMO C=CC[C@@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCC ZINC001136802267 1030435420 /nfs/dbraw/zinc/43/54/20/1030435420.db2.gz QKDZTYFUXCOXLF-BHIYHBOVSA-N 1 1 314.473 3.616 20 30 DHEDMO C[C@H](C#N)C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000533598441 1030457425 /nfs/dbraw/zinc/45/74/25/1030457425.db2.gz VBGOUAQNKJFVKR-GFCCVEGCSA-N 1 1 312.335 3.708 20 30 DHEDMO C[C@H](C#N)C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000533598441 1030457434 /nfs/dbraw/zinc/45/74/34/1030457434.db2.gz VBGOUAQNKJFVKR-GFCCVEGCSA-N 1 1 312.335 3.708 20 30 DHEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000358384090 1030463964 /nfs/dbraw/zinc/46/39/64/1030463964.db2.gz LKGPNEABPPAXIN-FQEVSTJZSA-N 1 1 323.440 3.709 20 30 DHEDMO CCC[NH+](CCC)CC(=O)[C@@H](C#N)c1nc2ccccc2s1 ZINC000867631986 1030469060 /nfs/dbraw/zinc/46/90/60/1030469060.db2.gz UFEDWOCAUZABDZ-CYBMUJFWSA-N 1 1 315.442 3.595 20 30 DHEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc2ccccc21 ZINC001275604386 1030547821 /nfs/dbraw/zinc/54/78/21/1030547821.db2.gz IITFGARXIUNXQZ-WOJBJXKFSA-N 1 1 320.436 3.591 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1cccc(F)n1 ZINC000795005944 1030562613 /nfs/dbraw/zinc/56/26/13/1030562613.db2.gz GWVGRUQVQRGPAE-CQSZACIVSA-N 1 1 312.392 3.531 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+](Cc3cccs3)CC2)C1=O ZINC001275608223 1030565592 /nfs/dbraw/zinc/56/55/92/1030565592.db2.gz BEQAXCUWDMYSNQ-SFHVURJKSA-N 1 1 318.486 3.529 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCOCC23CCCCC3)cc1 ZINC000825098232 1030710516 /nfs/dbraw/zinc/71/05/16/1030710516.db2.gz DJPNMVBLBBBXAS-INIZCTEOSA-N 1 1 314.429 3.513 20 30 DHEDMO N#CCCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248163826 1030722098 /nfs/dbraw/zinc/72/20/98/1030722098.db2.gz SPLUVZJGMHXQFY-WOJBJXKFSA-N 1 1 311.473 3.667 20 30 DHEDMO N#CCCCCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248163826 1030722112 /nfs/dbraw/zinc/72/21/12/1030722112.db2.gz SPLUVZJGMHXQFY-WOJBJXKFSA-N 1 1 311.473 3.667 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000248601856 1030751798 /nfs/dbraw/zinc/75/17/98/1030751798.db2.gz AOKLRXUBFAPDCM-OKZBNKHCSA-N 1 1 306.494 3.702 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H]1c1ccc(C)s1 ZINC000359095498 1030775636 /nfs/dbraw/zinc/77/56/36/1030775636.db2.gz MOUHJEZPPBDPLG-JKSUJKDBSA-N 1 1 318.486 3.783 20 30 DHEDMO COc1ccccc1[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccn1 ZINC000248947768 1030779597 /nfs/dbraw/zinc/77/95/97/1030779597.db2.gz ZLQLLGUWLMXTRA-GUXCAODWSA-N 1 1 321.424 3.852 20 30 DHEDMO Cc1cc(C)c(COC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c(C)[nH+]1 ZINC000869538816 1030795651 /nfs/dbraw/zinc/79/56/51/1030795651.db2.gz QMUXWGCHLIWMDU-ZWKOTPCHSA-N 1 1 320.392 3.725 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)ccc1OC ZINC000536642814 1030896328 /nfs/dbraw/zinc/89/63/28/1030896328.db2.gz ZOSMHHOAUJAEIA-UHFFFAOYSA-N 1 1 324.424 3.988 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])cc2C#N)c1 ZINC000067710845 1030918531 /nfs/dbraw/zinc/91/85/31/1030918531.db2.gz PTXXKBCGTUBDKO-UHFFFAOYSA-N 1 1 324.384 3.530 20 30 DHEDMO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001143726419 1030933453 /nfs/dbraw/zinc/93/34/53/1030933453.db2.gz PTFHXTLPOHEGAR-OAHLLOKOSA-N 1 1 311.816 3.986 20 30 DHEDMO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001143726419 1030933467 /nfs/dbraw/zinc/93/34/67/1030933467.db2.gz PTFHXTLPOHEGAR-OAHLLOKOSA-N 1 1 311.816 3.986 20 30 DHEDMO C[N@H+](Cc1ccc(C2CCC2)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370116 1031068262 /nfs/dbraw/zinc/06/82/62/1031068262.db2.gz FWLYZRFRUSAPQJ-OAQYLSRUSA-N 1 1 320.436 3.991 20 30 DHEDMO C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370496 1031071459 /nfs/dbraw/zinc/07/14/59/1031071459.db2.gz HLQKFVDUJPPEKL-VFNWGFHPSA-N 1 1 320.436 3.773 20 30 DHEDMO N#CCCCCCC(=O)OC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000870732794 1031074592 /nfs/dbraw/zinc/07/45/92/1031074592.db2.gz JGNGSJWXFZSBNB-KRWDZBQOSA-N 1 1 306.450 3.801 20 30 DHEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@@H]1CCCc2ccc(F)cc21 ZINC000844365090 1031092520 /nfs/dbraw/zinc/09/25/20/1031092520.db2.gz AJFQCOZCCNVXCD-UXHICEINSA-N 1 1 324.399 3.740 20 30 DHEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@]1(C)Cc1cccc(Cl)c1 ZINC000844381685 1031111615 /nfs/dbraw/zinc/11/16/15/1031111615.db2.gz QTAKDAFCFVCQCD-YOEHRIQHSA-N 1 1 306.837 3.666 20 30 DHEDMO Cc1nc(NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c(Cl)cc1C#N ZINC000359907690 1031189248 /nfs/dbraw/zinc/18/92/48/1031189248.db2.gz XAKSAYOYKDJGTQ-RYUDHWBXSA-N 1 1 306.841 3.590 20 30 DHEDMO Cc1ccoc1C[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000795177282 1031233288 /nfs/dbraw/zinc/23/32/88/1031233288.db2.gz KWKVQMBPNFRMNX-UHFFFAOYSA-N 1 1 304.777 3.776 20 30 DHEDMO Cc1ccoc1C[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000795177282 1031233304 /nfs/dbraw/zinc/23/33/04/1031233304.db2.gz KWKVQMBPNFRMNX-UHFFFAOYSA-N 1 1 304.777 3.776 20 30 DHEDMO CC[N@H+](Cc1ccc(C)cc1)Cc1cccc(C(=O)OC)c1C#N ZINC000533752466 1031250608 /nfs/dbraw/zinc/25/06/08/1031250608.db2.gz ZWEHWBYMWRVDPT-UHFFFAOYSA-N 1 1 322.408 3.675 20 30 DHEDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1cccc(C(=O)OC)c1C#N ZINC000533752466 1031250627 /nfs/dbraw/zinc/25/06/27/1031250627.db2.gz ZWEHWBYMWRVDPT-UHFFFAOYSA-N 1 1 322.408 3.675 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000360139410 1031289541 /nfs/dbraw/zinc/28/95/41/1031289541.db2.gz KYOCPKBZXTWBSB-KRWDZBQOSA-N 1 1 304.821 3.603 20 30 DHEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2cc(C#N)c3ccccc3n2)C1 ZINC000533818962 1031324715 /nfs/dbraw/zinc/32/47/15/1031324715.db2.gz IQPNEJCVLNCZIC-LJQANCHMSA-N 1 1 314.392 3.705 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(Cl)s1 ZINC001275691333 1031348092 /nfs/dbraw/zinc/34/80/92/1031348092.db2.gz QZAHMKJNBCXADS-INIZCTEOSA-N 1 1 324.877 3.545 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(Cl)s1 ZINC001275691333 1031348109 /nfs/dbraw/zinc/34/81/09/1031348109.db2.gz QZAHMKJNBCXADS-INIZCTEOSA-N 1 1 324.877 3.545 20 30 DHEDMO CN(CCC#N)c1ccc(CNc2[nH+]c3ccccc3n2C)cc1 ZINC000871866777 1031361256 /nfs/dbraw/zinc/36/12/56/1031361256.db2.gz NTIHHVPXCCTFAI-UHFFFAOYSA-N 1 1 319.412 3.535 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccc(CF)cc3)CCO2)c1 ZINC000777712554 1031400145 /nfs/dbraw/zinc/40/01/45/1031400145.db2.gz HNMCZWHHZKVSJU-IBGZPJMESA-N 1 1 310.372 3.601 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccc(CF)cc3)CCO2)c1 ZINC000777712554 1031400158 /nfs/dbraw/zinc/40/01/58/1031400158.db2.gz HNMCZWHHZKVSJU-IBGZPJMESA-N 1 1 310.372 3.601 20 30 DHEDMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929245970 1031474285 /nfs/dbraw/zinc/47/42/85/1031474285.db2.gz CIJYXAWDTAFZGV-UHFFFAOYSA-N 1 1 313.445 3.504 20 30 DHEDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000293522605 1031501128 /nfs/dbraw/zinc/50/11/28/1031501128.db2.gz IRKXFERAHAERQP-KGLIPLIRSA-N 1 1 312.335 3.752 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000360668573 1031512315 /nfs/dbraw/zinc/51/23/15/1031512315.db2.gz IBZZYABAQDXDBP-HXUWFJFHSA-N 1 1 304.393 3.580 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c(F)c1 ZINC000360667817 1031512411 /nfs/dbraw/zinc/51/24/11/1031512411.db2.gz AQSGLXVTQWMGHV-HXUWFJFHSA-N 1 1 322.383 3.719 20 30 DHEDMO C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000872139707 1031533689 /nfs/dbraw/zinc/53/36/89/1031533689.db2.gz OASJLEOHSKPAKA-PRMSZOBUSA-N 1 1 322.496 3.964 20 30 DHEDMO COCC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCCSC1 ZINC000433198298 1031538410 /nfs/dbraw/zinc/53/84/10/1031538410.db2.gz FITRFBWSCCWGFN-KRWDZBQOSA-N 1 1 323.889 3.536 20 30 DHEDMO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1N(C)C)c1ccc(C#N)cc1 ZINC000360759077 1031549667 /nfs/dbraw/zinc/54/96/67/1031549667.db2.gz MHYZVKBDKSWCFJ-JHVJFLLYSA-N 1 1 319.452 3.827 20 30 DHEDMO CN1C[C@@H]2C[N@H+](CC(C)(C)CCC#N)C[C@H]2[C@@H]1c1ccccc1 ZINC000360790284 1031563349 /nfs/dbraw/zinc/56/33/49/1031563349.db2.gz DJWHGYRADHKFPC-QRVBRYPASA-N 1 1 311.473 3.551 20 30 DHEDMO CN1C[C@@H]2C[N@@H+](CC(C)(C)CCC#N)C[C@H]2[C@@H]1c1ccccc1 ZINC000360790284 1031563362 /nfs/dbraw/zinc/56/33/62/1031563362.db2.gz DJWHGYRADHKFPC-QRVBRYPASA-N 1 1 311.473 3.551 20 30 DHEDMO N#CC1(CCC[N@H+]2CCC[C@@H](OC3CCC3)CC2)CCOCC1 ZINC000872278925 1031572765 /nfs/dbraw/zinc/57/27/65/1031572765.db2.gz BINSODPVRIDIKX-GOSISDBHSA-N 1 1 320.477 3.511 20 30 DHEDMO [NH2+]=C(Nc1cccc2cnncc21)c1ccc2cc(O)ccc2c1 ZINC001171181993 1031579174 /nfs/dbraw/zinc/57/91/74/1031579174.db2.gz GSKZWMNJWSPDIF-UHFFFAOYSA-N 1 1 314.348 3.526 20 30 DHEDMO CCC[N@@H+](CC1CCC(C#N)CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000929695794 1031579800 /nfs/dbraw/zinc/57/98/00/1031579800.db2.gz HTXXVGFIXUMKDS-ILEACXBISA-N 1 1 304.478 3.842 20 30 DHEDMO C[N@H+](CCN[C@H]1CCCCc2cc(C#N)ccc21)C1CCCC1 ZINC000360842094 1031587671 /nfs/dbraw/zinc/58/76/71/1031587671.db2.gz VGSFCJHVKPGFDV-FQEVSTJZSA-N 1 1 311.473 3.790 20 30 DHEDMO C[N@@H+](CCN[C@H]1CCCCc2cc(C#N)ccc21)C1CCCC1 ZINC000360842094 1031587675 /nfs/dbraw/zinc/58/76/75/1031587675.db2.gz VGSFCJHVKPGFDV-FQEVSTJZSA-N 1 1 311.473 3.790 20 30 DHEDMO Cc1cc(NC(=N)c2ccc3cc(O)ccc3c2)c2[nH+]ccn2c1 ZINC001171183888 1031593731 /nfs/dbraw/zinc/59/37/31/1031593731.db2.gz BGNYRWSYGBIYHZ-UHFFFAOYSA-N 1 1 316.364 3.539 20 30 DHEDMO Cc1cc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)nc2cc[nH]c21 ZINC001171186535 1031599490 /nfs/dbraw/zinc/59/94/90/1031599490.db2.gz TTXCNNCOGFVLKU-UHFFFAOYSA-N 1 1 316.364 3.767 20 30 DHEDMO CSc1nnc(SC)n1[NH+]=C[C@H](C)CCc1ccccc1 ZINC000872417460 1031603544 /nfs/dbraw/zinc/60/35/44/1031603544.db2.gz CHUTUIAUOPRDSO-GFCCVEGCSA-N 1 1 320.487 3.825 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000929788664 1031608455 /nfs/dbraw/zinc/60/84/55/1031608455.db2.gz ASUSKGHZIHNVTH-HNNXBMFYSA-N 1 1 306.450 3.657 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CCO[C@@H](c3ccsc3)C2)CCC1 ZINC000929830080 1031617755 /nfs/dbraw/zinc/61/77/55/1031617755.db2.gz ZDGCHVOJPPKPDK-MRXNPFEDSA-N 1 1 304.459 3.986 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCO[C@@H](c3ccsc3)C2)CCC1 ZINC000929830080 1031617762 /nfs/dbraw/zinc/61/77/62/1031617762.db2.gz ZDGCHVOJPPKPDK-MRXNPFEDSA-N 1 1 304.459 3.986 20 30 DHEDMO C=CCCC1(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000476050250 1031618952 /nfs/dbraw/zinc/61/89/52/1031618952.db2.gz MYWYLKXKTGAXNM-QZTJIDSGSA-N 1 1 318.505 3.846 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC2CCC(C#N)CC2)C1 ZINC000929966532 1031664288 /nfs/dbraw/zinc/66/42/88/1031664288.db2.gz YAESTVXPHXYXGS-CWBGTKBPSA-N 1 1 303.494 3.654 20 30 DHEDMO C[C@@H]1CC[C@H](C)N1[C@H]1CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929966532 1031664300 /nfs/dbraw/zinc/66/43/00/1031664300.db2.gz YAESTVXPHXYXGS-CWBGTKBPSA-N 1 1 303.494 3.654 20 30 DHEDMO C[C@@H]1CC[C@H](C)N1[C@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929966532 1031664311 /nfs/dbraw/zinc/66/43/11/1031664311.db2.gz YAESTVXPHXYXGS-CWBGTKBPSA-N 1 1 303.494 3.654 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](CC)C[C@H](C)OC)ccc1OC ZINC000361007892 1031671039 /nfs/dbraw/zinc/67/10/39/1031671039.db2.gz BSZAUDOWHQPLET-HNNXBMFYSA-N 1 1 307.434 3.507 20 30 DHEDMO C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)CC1CCC(C#N)CC1 ZINC000930043151 1031681740 /nfs/dbraw/zinc/68/17/40/1031681740.db2.gz NDZHESLZLNDLEH-UHFFFAOYSA-N 1 1 308.429 3.838 20 30 DHEDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930077957 1031692667 /nfs/dbraw/zinc/69/26/67/1031692667.db2.gz WLLIQNQWRWYHTN-QGZVFWFLSA-N 1 1 320.477 3.906 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)cc1 ZINC001144572312 1031721394 /nfs/dbraw/zinc/72/13/94/1031721394.db2.gz WPDOLASQEVAABB-HKBOAZHASA-N 1 1 309.453 3.695 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000361091569 1031723658 /nfs/dbraw/zinc/72/36/58/1031723658.db2.gz RFWMATDKSHBMSZ-SFHVURJKSA-N 1 1 310.422 3.641 20 30 DHEDMO N#CCCN(Cc1[nH+]cn2ccccc12)Cc1ccc(Cl)cc1 ZINC001144624385 1031757051 /nfs/dbraw/zinc/75/70/51/1031757051.db2.gz GDKXGUNJTHCPOF-UHFFFAOYSA-N 1 1 324.815 3.904 20 30 DHEDMO Cc1cc(C)c(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1C ZINC000846007632 1031805728 /nfs/dbraw/zinc/80/57/28/1031805728.db2.gz RQGSXGRHMQGCCR-FQEVSTJZSA-N 1 1 308.425 3.649 20 30 DHEDMO CC[C@H](C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000846008842 1031806086 /nfs/dbraw/zinc/80/60/86/1031806086.db2.gz YEIPIWTYFLOFKN-YLJYHZDGSA-N 1 1 308.425 3.717 20 30 DHEDMO Cc1oc2ccccc2c1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846007040 1031806700 /nfs/dbraw/zinc/80/67/00/1031806700.db2.gz MOVLWXWPOSIJFM-IBGZPJMESA-N 1 1 320.392 3.778 20 30 DHEDMO C[C@@H](C[N@@H+](CC1CCC(C#N)CC1)[C@@H](C)CO)c1ccccc1 ZINC000930486897 1031839346 /nfs/dbraw/zinc/83/93/46/1031839346.db2.gz BESOIZNJDHQCLV-YXWAVELNSA-N 1 1 314.473 3.803 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC000930571434 1031873624 /nfs/dbraw/zinc/87/36/24/1031873624.db2.gz XJXIRJWOJWIQFK-INIZCTEOSA-N 1 1 311.816 3.986 20 30 DHEDMO COc1ccccc1N1CCC[N@@H+](CC(C)(C)CCC#N)CC1 ZINC000897923527 1031881160 /nfs/dbraw/zinc/88/11/60/1031881160.db2.gz QQTXXHNGEUWADM-UHFFFAOYSA-N 1 1 315.461 3.537 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)c3cccs3)CC2)cc1 ZINC000361390290 1031902078 /nfs/dbraw/zinc/90/20/78/1031902078.db2.gz MIDFDLUGFGUIGT-UHFFFAOYSA-N 1 1 310.422 3.715 20 30 DHEDMO COc1ccc2c(c1)C[N@H+](CCCCC1(C#N)CCC1)CCO2 ZINC000930643485 1031902493 /nfs/dbraw/zinc/90/24/93/1031902493.db2.gz XBEDLIBVZJXTTQ-UHFFFAOYSA-N 1 1 314.429 3.754 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc3scnc3c1)C2 ZINC001144732658 1031913092 /nfs/dbraw/zinc/91/30/92/1031913092.db2.gz IGLBRLJDUNIURO-UHFFFAOYSA-N 1 1 305.406 3.726 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc3scnc3c1)C2 ZINC001144732658 1031913103 /nfs/dbraw/zinc/91/31/03/1031913103.db2.gz IGLBRLJDUNIURO-UHFFFAOYSA-N 1 1 305.406 3.726 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000930764598 1031940305 /nfs/dbraw/zinc/94/03/05/1031940305.db2.gz YTRXFVSQKALAEW-HXUWFJFHSA-N 1 1 324.468 3.956 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)C[C@](C)(O)c1ccccc1 ZINC000930765548 1031943530 /nfs/dbraw/zinc/94/35/30/1031943530.db2.gz ZPDPCXHQMYABHJ-SFHVURJKSA-N 1 1 300.446 3.690 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001171220860 1031956243 /nfs/dbraw/zinc/95/62/43/1031956243.db2.gz FCISVNDWNSKGQW-OXQOHEQNSA-N 1 1 306.409 3.643 20 30 DHEDMO Cc1ccccc1O[C@H]1CC[N@H+]([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171221368 1031958145 /nfs/dbraw/zinc/95/81/45/1031958145.db2.gz LQNLBFRPEVPKMH-PXNSSMCTSA-N 1 1 320.436 3.951 20 30 DHEDMO N#Cc1cncc(C[N@@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)c1 ZINC000930824940 1031959160 /nfs/dbraw/zinc/95/91/60/1031959160.db2.gz HKYBJTHJJSFOPM-IBGZPJMESA-N 1 1 301.393 3.847 20 30 DHEDMO N#Cc1cncc(C[N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)c1 ZINC000930824940 1031959174 /nfs/dbraw/zinc/95/91/74/1031959174.db2.gz HKYBJTHJJSFOPM-IBGZPJMESA-N 1 1 301.393 3.847 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)CCC(=O)c1cccs1 ZINC001171229501 1031995963 /nfs/dbraw/zinc/99/59/63/1031995963.db2.gz OCETXYSUGNHGSY-AWEZNQCLSA-N 1 1 312.438 3.756 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001171231663 1032002168 /nfs/dbraw/zinc/00/21/68/1032002168.db2.gz KQDXQCSVIUWSPX-JXFKEZNVSA-N 1 1 312.457 3.770 20 30 DHEDMO CC(C)(C#N)CC[N@@H+]1CCc2cccc(Br)c2C1 ZINC000561674115 1032022371 /nfs/dbraw/zinc/02/23/71/1032022371.db2.gz MXZOOYLKRPLGCC-UHFFFAOYSA-N 1 1 307.235 3.747 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCc2cccc(Br)c2C1 ZINC000561674115 1032022384 /nfs/dbraw/zinc/02/23/84/1032022384.db2.gz MXZOOYLKRPLGCC-UHFFFAOYSA-N 1 1 307.235 3.747 20 30 DHEDMO C[C@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@H](CC(F)(F)F)O1 ZINC000931073268 1032028342 /nfs/dbraw/zinc/02/83/42/1032028342.db2.gz NJZAQPRBFVDTCB-KBPBESRZSA-N 1 1 318.383 3.892 20 30 DHEDMO C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@H](CC(F)(F)F)O1 ZINC000931073268 1032028353 /nfs/dbraw/zinc/02/83/53/1032028353.db2.gz NJZAQPRBFVDTCB-KBPBESRZSA-N 1 1 318.383 3.892 20 30 DHEDMO Cn1ncc2c1CC(C)(C)C[N@@H+](CCCCC1(C#N)CCC1)C2 ZINC000931082496 1032031120 /nfs/dbraw/zinc/03/11/20/1032031120.db2.gz GYPMHGRHQASAQM-UHFFFAOYSA-N 1 1 314.477 3.669 20 30 DHEDMO CCCC[C@H]1C[C@@H]([N@@H+](C)CCC#N)CCN1C(=O)OC(C)(C)C ZINC001172631900 1033301067 /nfs/dbraw/zinc/30/10/67/1033301067.db2.gz GZVVYASRBZVWRM-HOTGVXAUSA-N 1 1 323.481 3.790 20 30 DHEDMO C[C@@H]1CCC[C@@H]([N@@H+](CCC#N)Cc2ccc3c(c2)OCO3)[C@@H]1C ZINC000338264781 1033308460 /nfs/dbraw/zinc/30/84/60/1033308460.db2.gz HBVUNNJCQUTQTR-BFYDXBDKSA-N 1 1 314.429 3.956 20 30 DHEDMO C[N@@H+](CCc1cccc(Cl)c1)Cc1ccc(OCC#N)cc1 ZINC001137120514 1033314334 /nfs/dbraw/zinc/31/43/34/1033314334.db2.gz QSYVMYYMJOZEJD-UHFFFAOYSA-N 1 1 314.816 3.917 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000877521580 1033334047 /nfs/dbraw/zinc/33/40/47/1033334047.db2.gz CZDGZVILURHMRD-JKSUJKDBSA-N 1 1 323.481 3.696 20 30 DHEDMO CCC[C@H]1CN(Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000539402286 1033346935 /nfs/dbraw/zinc/34/69/35/1033346935.db2.gz FRTXOLAQRYFNNE-SFHVURJKSA-N 1 1 323.440 3.638 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCCc3c(F)cccc32)c1 ZINC000877558157 1033358149 /nfs/dbraw/zinc/35/81/49/1033358149.db2.gz YFBCMAHKECSCRX-MRXNPFEDSA-N 1 1 315.779 3.913 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nc(Cl)cs1 ZINC000877594185 1033373915 /nfs/dbraw/zinc/37/39/15/1033373915.db2.gz OPWZLJQWUWEAOO-CYBMUJFWSA-N 1 1 303.818 3.835 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000877609895 1033378938 /nfs/dbraw/zinc/37/89/38/1033378938.db2.gz FGXMOEQPUZOQLU-PBHICJAKSA-N 1 1 306.837 3.563 20 30 DHEDMO CC[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1F ZINC000877609729 1033380629 /nfs/dbraw/zinc/38/06/29/1033380629.db2.gz HTUOGECUBYHULF-HNNXBMFYSA-N 1 1 303.768 3.987 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)CC1=Cc2ccccc2OC1 ZINC000877703619 1033419217 /nfs/dbraw/zinc/41/92/17/1033419217.db2.gz AZRIZBKESCDSLB-UHFFFAOYSA-N 1 1 304.393 3.509 20 30 DHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)[nH]n1 ZINC000877783977 1033449529 /nfs/dbraw/zinc/44/95/29/1033449529.db2.gz MBJOVKQNUCUNGQ-KRWDZBQOSA-N 1 1 308.429 3.784 20 30 DHEDMO CC(C)c1cc([C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)n[nH]1 ZINC000877783977 1033449534 /nfs/dbraw/zinc/44/95/34/1033449534.db2.gz MBJOVKQNUCUNGQ-KRWDZBQOSA-N 1 1 308.429 3.784 20 30 DHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n[nH]1 ZINC000877783977 1033449537 /nfs/dbraw/zinc/44/95/37/1033449537.db2.gz MBJOVKQNUCUNGQ-KRWDZBQOSA-N 1 1 308.429 3.784 20 30 DHEDMO C[C@@H](CSc1ccc(Cl)cc1)[NH2+]Cc1ncc(C#N)s1 ZINC001172880496 1033452054 /nfs/dbraw/zinc/45/20/54/1033452054.db2.gz SATFUKYDANZSIH-JTQLQIEISA-N 1 1 323.874 3.939 20 30 DHEDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)C2)n1 ZINC000877812878 1033462465 /nfs/dbraw/zinc/46/24/65/1033462465.db2.gz CAOUHHQETXNBBW-INIZCTEOSA-N 1 1 323.465 3.996 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)cc1 ZINC000877812156 1033463873 /nfs/dbraw/zinc/46/38/73/1033463873.db2.gz IGZUYCPZCXUXKU-SWLSCSKDSA-N 1 1 312.335 3.752 20 30 DHEDMO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000877828257 1033476801 /nfs/dbraw/zinc/47/68/01/1033476801.db2.gz IJPLNTQPMYMUBS-NSHDSACASA-N 1 1 320.318 3.526 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000877925345 1033516871 /nfs/dbraw/zinc/51/68/71/1033516871.db2.gz FAGOFYNOFBKWSR-LJQANCHMSA-N 1 1 324.449 3.547 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000877925345 1033516874 /nfs/dbraw/zinc/51/68/74/1033516874.db2.gz FAGOFYNOFBKWSR-LJQANCHMSA-N 1 1 324.449 3.547 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000877966955 1033533666 /nfs/dbraw/zinc/53/36/66/1033533666.db2.gz ZXSXDOWTTCONLM-LSTHTHJFSA-N 1 1 312.457 3.938 20 30 DHEDMO CC[C@H]1CCC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878113720 1033583732 /nfs/dbraw/zinc/58/37/32/1033583732.db2.gz MBSHFFGTWABQLM-ICSRJNTNSA-N 1 1 312.457 3.939 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1nnc(-c2cccc(O)c2)o1 ZINC000878125965 1033589704 /nfs/dbraw/zinc/58/97/04/1033589704.db2.gz SJQRBMNFIPVFOA-UHFFFAOYSA-N 1 1 301.390 3.620 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1cn(C)nc1C(C)(C)C ZINC000553134725 1033608194 /nfs/dbraw/zinc/60/81/94/1033608194.db2.gz QORRHYIUEXPWFK-UHFFFAOYSA-N 1 1 303.475 3.967 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cn(C)nc1C(C)(C)C ZINC000553134725 1033608206 /nfs/dbraw/zinc/60/82/06/1033608206.db2.gz QORRHYIUEXPWFK-UHFFFAOYSA-N 1 1 303.475 3.967 20 30 DHEDMO C=C(C)[C@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000478922199 1033610924 /nfs/dbraw/zinc/61/09/24/1033610924.db2.gz WYCBHFUQZPFODA-JCGVRSQUSA-N 1 1 322.399 3.571 20 30 DHEDMO N#CCC1(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000878191907 1033616567 /nfs/dbraw/zinc/61/65/67/1033616567.db2.gz RYHSMPWDOSCSSL-HZPDHXFCSA-N 1 1 302.418 3.642 20 30 DHEDMO C#CCCCCC[N@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000878256026 1033638902 /nfs/dbraw/zinc/63/89/02/1033638902.db2.gz FBPAOCPZBKHJKC-UHFFFAOYSA-N 1 1 300.446 3.757 20 30 DHEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4ccc(C#N)o4)C3)nc2c1 ZINC000878323402 1033657857 /nfs/dbraw/zinc/65/78/57/1033657857.db2.gz XCCSVBOYMRAAJG-CQSZACIVSA-N 1 1 320.396 3.716 20 30 DHEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4ccc(C#N)o4)C3)[nH]c2c1 ZINC000878323402 1033657869 /nfs/dbraw/zinc/65/78/69/1033657869.db2.gz XCCSVBOYMRAAJG-CQSZACIVSA-N 1 1 320.396 3.716 20 30 DHEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4ccc(C#N)o4)C3)[nH]c2c1 ZINC000878323402 1033657879 /nfs/dbraw/zinc/65/78/79/1033657879.db2.gz XCCSVBOYMRAAJG-CQSZACIVSA-N 1 1 320.396 3.716 20 30 DHEDMO CCCCCCCC[C@H](CCC)[NH2+]CCN1CCN(C)CC1 ZINC001173308977 1033663752 /nfs/dbraw/zinc/66/37/52/1033663752.db2.gz OWGWEGLIPJNRPD-IBGZPJMESA-N 1 1 311.558 3.743 20 30 DHEDMO C=CCOC1CCC([N@@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001173320942 1033685445 /nfs/dbraw/zinc/68/54/45/1033685445.db2.gz UJOQBMQOXNGQHS-HDYDNRTBSA-N 1 1 320.521 3.841 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001173320942 1033685447 /nfs/dbraw/zinc/68/54/47/1033685447.db2.gz UJOQBMQOXNGQHS-HDYDNRTBSA-N 1 1 320.521 3.841 20 30 DHEDMO C[N@@H+]([C@@H]1CCN(Cc2ccccc2)C1)C1CCC(CC#N)CC1 ZINC001173330809 1033687865 /nfs/dbraw/zinc/68/78/65/1033687865.db2.gz DZSFDTUDTVOVIK-LYBXBRPPSA-N 1 1 311.473 3.665 20 30 DHEDMO N#CCC1CCC([N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001173336521 1033691106 /nfs/dbraw/zinc/69/11/06/1033691106.db2.gz CKZXJTDWZPMBHP-LEHRNKBSSA-N 1 1 320.383 3.811 20 30 DHEDMO N#CCC1CCC([N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001173336521 1033691130 /nfs/dbraw/zinc/69/11/30/1033691130.db2.gz CKZXJTDWZPMBHP-LEHRNKBSSA-N 1 1 320.383 3.811 20 30 DHEDMO CC(C)(C)OC(=O)C[C@H]1CC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173336531 1033691720 /nfs/dbraw/zinc/69/17/20/1033691720.db2.gz CPYIVGRGZUREJH-HWOWSKLDSA-N 1 1 306.450 3.513 20 30 DHEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1C1CCC(CC#N)CC1 ZINC001173336759 1033691951 /nfs/dbraw/zinc/69/19/51/1033691951.db2.gz KLVZQQACCTYBII-GPANFISMSA-N 1 1 306.450 3.655 20 30 DHEDMO CC(C)c1noc([C@@H]2CCC[N@H+](C3CCC(CC#N)CC3)C2)n1 ZINC001173337582 1033694208 /nfs/dbraw/zinc/69/42/08/1033694208.db2.gz PDORFJXMBNVSON-HWOWSKLDSA-N 1 1 316.449 3.845 20 30 DHEDMO CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)C1CCC(CC#N)CC1 ZINC001173337281 1033694971 /nfs/dbraw/zinc/69/49/71/1033694971.db2.gz FBHNNTJRXSADEW-UHFFFAOYSA-N 1 1 323.481 3.694 20 30 DHEDMO N#CCC1CCC([NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC001173338284 1033695101 /nfs/dbraw/zinc/69/51/01/1033695101.db2.gz CQYQMMDGTAEAKK-WWFYLNGCSA-N 1 1 323.484 3.523 20 30 DHEDMO CCCc1noc([C@H]2CCC[N@H+](C3CCC(CC#N)CC3)C2)n1 ZINC001173337359 1033695411 /nfs/dbraw/zinc/69/54/11/1033695411.db2.gz JJAZYUUEGVHZIH-PCKAHOCUSA-N 1 1 316.449 3.674 20 30 DHEDMO C#CCCCCC[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000878528859 1033737416 /nfs/dbraw/zinc/73/74/16/1033737416.db2.gz CGTGVPPQMVVQCJ-INIZCTEOSA-N 1 1 314.429 3.830 20 30 DHEDMO C#CCCCCC[N@@H+]1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000878536596 1033742121 /nfs/dbraw/zinc/74/21/21/1033742121.db2.gz ZZEUAPQYAIKAAV-CQSZACIVSA-N 1 1 320.458 3.569 20 30 DHEDMO C=C(Br)C[C@@H]([NH3+])c1nc(-c2ccc(C)c(C)c2)no1 ZINC001249256599 1033769495 /nfs/dbraw/zinc/76/94/95/1033769495.db2.gz UJLAYWLSEIYPFS-GFCCVEGCSA-N 1 1 322.206 3.652 20 30 DHEDMO CC1(C#N)CCC([N@@H+](CCN)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001173588186 1033777354 /nfs/dbraw/zinc/77/73/54/1033777354.db2.gz CPAHBPDUJKBGIL-UHFFFAOYSA-N 1 1 315.505 3.688 20 30 DHEDMO CC1(C#N)CCC([NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)CC1 ZINC001173591822 1033780309 /nfs/dbraw/zinc/78/03/09/1033780309.db2.gz SLDMTGGNOTZPTP-UHFFFAOYSA-N 1 1 315.436 3.548 20 30 DHEDMO COc1ccc(CC[N@@H+](C)C2CCC(C)(C#N)CC2)cc1OC ZINC001173592587 1033781685 /nfs/dbraw/zinc/78/16/85/1033781685.db2.gz UUCZZIXCIOOWIP-UHFFFAOYSA-N 1 1 316.445 3.651 20 30 DHEDMO CC1(C#N)CCC([N@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC001173599740 1033784037 /nfs/dbraw/zinc/78/40/37/1033784037.db2.gz PVGSYVKFRPAJDS-JJBAYQRUSA-N 1 1 323.484 3.665 20 30 DHEDMO CC1(C#N)CCC(n2ccc(C[NH2+]Cc3ccccc3)n2)CC1 ZINC001173600935 1033788146 /nfs/dbraw/zinc/78/81/46/1033788146.db2.gz MQNQFGRQBPSYQJ-UHFFFAOYSA-N 1 1 308.429 3.818 20 30 DHEDMO CCCC[N@@H+](CCC#N)C1CCC2(C[C@H]2C(=O)OCC)CC1 ZINC001173616103 1033806417 /nfs/dbraw/zinc/80/64/17/1033806417.db2.gz OSZXMFOGEHGWRO-PQUAAJSLSA-N 1 1 306.450 3.514 20 30 DHEDMO C[N@H+](CCC#N)[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702479 1033839857 /nfs/dbraw/zinc/83/98/57/1033839857.db2.gz DTBFVDQQBGCJEY-HXUWFJFHSA-N 1 1 320.436 3.968 20 30 DHEDMO C[N@@H+](CCC#N)[C@@H]1CCc2ccc(OCc3ccccc3)cc2C1 ZINC001173702479 1033839873 /nfs/dbraw/zinc/83/98/73/1033839873.db2.gz DTBFVDQQBGCJEY-HXUWFJFHSA-N 1 1 320.436 3.968 20 30 DHEDMO COC(=O)c1ccc(C[C@H](C)[N@@H+](CCC#N)C2CCCC2)cc1 ZINC001173723395 1033843667 /nfs/dbraw/zinc/84/36/67/1033843667.db2.gz JKEHKAFSURRBOB-HNNXBMFYSA-N 1 1 314.429 3.562 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@H](C)C1(F)F ZINC000862443993 1033855277 /nfs/dbraw/zinc/85/52/77/1033855277.db2.gz RXMOPSFPZIQYBE-GASCZTMLSA-N 1 1 321.415 3.760 20 30 DHEDMO C#CC[C@@H]1CC[N@@H+](Cc2cnc(CCc3ccccc3)s2)C1 ZINC000862448070 1033859132 /nfs/dbraw/zinc/85/91/32/1033859132.db2.gz WKWSTNNAQPITSV-QGZVFWFLSA-N 1 1 310.466 3.774 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000862444607 1033859181 /nfs/dbraw/zinc/85/91/81/1033859181.db2.gz DCCOXAYBTDVLGL-LBPRGKRZSA-N 1 1 315.310 3.612 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000862444606 1033860148 /nfs/dbraw/zinc/86/01/48/1033860148.db2.gz DCCOXAYBTDVLGL-GFCCVEGCSA-N 1 1 315.310 3.612 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000862473531 1033861573 /nfs/dbraw/zinc/86/15/73/1033861573.db2.gz URRJJAGUZGTQIP-MSOLQXFVSA-N 1 1 315.486 3.506 20 30 DHEDMO CN(C)c1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1F ZINC000862542008 1033882292 /nfs/dbraw/zinc/88/22/92/1033882292.db2.gz BRZRHGYFRNQOAR-UHFFFAOYSA-N 1 1 323.415 3.516 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+](CC[C@@H]1CCCC1(F)F)C2 ZINC000879064380 1033911550 /nfs/dbraw/zinc/91/15/50/1033911550.db2.gz DLGLKQJHDZADRG-INIZCTEOSA-N 1 1 304.384 3.936 20 30 DHEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000879099293 1033922079 /nfs/dbraw/zinc/92/20/79/1033922079.db2.gz JRHAUKWGKUXLLG-SJLPKXTDSA-N 1 1 314.473 3.758 20 30 DHEDMO Cc1cc2oc(=O)cc(C[N@@H+](C)[C@H]3CCC[C@@H]3C#N)c2cc1C ZINC000879311187 1033978656 /nfs/dbraw/zinc/97/86/56/1033978656.db2.gz NZZOLGZQRYLCMR-PBHICJAKSA-N 1 1 310.397 3.534 20 30 DHEDMO Cc1cc2oc(=O)cc(C[N@H+](C)[C@H]3CCC[C@@H]3C#N)c2cc1C ZINC000879311187 1033978662 /nfs/dbraw/zinc/97/86/62/1033978662.db2.gz NZZOLGZQRYLCMR-PBHICJAKSA-N 1 1 310.397 3.534 20 30 DHEDMO CN(C)C(=O)Sc1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000879311201 1033980308 /nfs/dbraw/zinc/98/03/08/1033980308.db2.gz ODNWGWPYWJZLJF-ZBFHGGJFSA-N 1 1 317.458 3.584 20 30 DHEDMO CN(C)C(=O)Sc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000879311201 1033980319 /nfs/dbraw/zinc/98/03/19/1033980319.db2.gz ODNWGWPYWJZLJF-ZBFHGGJFSA-N 1 1 317.458 3.584 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)C1 ZINC000339050318 1033986840 /nfs/dbraw/zinc/98/68/40/1033986840.db2.gz BCMFIEZCJUAYIR-VNHYZAJKSA-N 1 1 313.376 3.839 20 30 DHEDMO N#CCCOCC[N@H+]1CCCC[C@H]1CCCc1ccccc1 ZINC000339050583 1033988179 /nfs/dbraw/zinc/98/81/79/1033988179.db2.gz IVKUFHYOJLSTQB-IBGZPJMESA-N 1 1 300.446 3.794 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1CC[N@@H+]1CC ZINC000879352651 1033990659 /nfs/dbraw/zinc/99/06/59/1033990659.db2.gz YERNCYMFLOBHGB-MRXNPFEDSA-N 1 1 315.461 3.754 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1 ZINC000175339553 1034007657 /nfs/dbraw/zinc/00/76/57/1034007657.db2.gz ZNDRNIRDWXGHCX-AWEZNQCLSA-N 1 1 322.412 3.513 20 30 DHEDMO C=CCCCC(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000480040517 1034025603 /nfs/dbraw/zinc/02/56/03/1034025603.db2.gz NYGBCENVQRSWJW-MRXNPFEDSA-N 1 1 316.445 3.702 20 30 DHEDMO COc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c(C)c1 ZINC001174022445 1034078658 /nfs/dbraw/zinc/07/86/58/1034078658.db2.gz OSQURDAWAOLLSC-UHFFFAOYSA-N 1 1 313.426 3.668 20 30 DHEDMO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)c2ccc(C#N)cc2)no1 ZINC000879681299 1034083840 /nfs/dbraw/zinc/08/38/40/1034083840.db2.gz PMIWBSDAUMZPBZ-UBBHGXQRSA-N 1 1 322.412 3.721 20 30 DHEDMO C[N@@H+](CCCSCC#N)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000554304634 1034085970 /nfs/dbraw/zinc/08/59/70/1034085970.db2.gz ZSXAASQYEFZGIJ-IRXDYDNUSA-N 1 1 318.486 3.811 20 30 DHEDMO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)c2cccc(C#N)c2)no1 ZINC000879682243 1034087025 /nfs/dbraw/zinc/08/70/25/1034087025.db2.gz ZUSBBCCEDUSYMQ-UBBHGXQRSA-N 1 1 322.412 3.721 20 30 DHEDMO N#Cc1cnnc(-c2ccccc2)c1Nc1cc[nH+]c2ccccc12 ZINC001174038790 1034094601 /nfs/dbraw/zinc/09/46/01/1034094601.db2.gz ZHCJIZWPFDHOEI-UHFFFAOYSA-N 1 1 323.359 3.729 20 30 DHEDMO COc1ccccc1[C@H]1CCC[N@@H+](CCCSCC#N)CC1 ZINC000879730113 1034101275 /nfs/dbraw/zinc/10/12/75/1034101275.db2.gz WMXBCSKHAXQDRV-INIZCTEOSA-N 1 1 318.486 3.912 20 30 DHEDMO COc1ccc([C@@H]2COCC[N@@H+]2CCCCC(C)(C)C#N)cc1 ZINC000879737826 1034104541 /nfs/dbraw/zinc/10/45/41/1034104541.db2.gz KMNQSXDPPLGAMV-SFHVURJKSA-N 1 1 316.445 3.789 20 30 DHEDMO COc1ccc([C@@H]2COCC[N@H+]2CCCCC(C)(C)C#N)cc1 ZINC000879737826 1034104551 /nfs/dbraw/zinc/10/45/51/1034104551.db2.gz KMNQSXDPPLGAMV-SFHVURJKSA-N 1 1 316.445 3.789 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2cncc(C)c2)cc1C#N ZINC000879749503 1034114245 /nfs/dbraw/zinc/11/42/45/1034114245.db2.gz JETBKWXTYUENHA-SFHVURJKSA-N 1 1 307.397 3.607 20 30 DHEDMO CC(=[NH+]NCCC(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000794551290 1034184847 /nfs/dbraw/zinc/18/48/47/1034184847.db2.gz FIAQHRSMJGRPHY-UHFFFAOYSA-N 1 1 313.367 3.943 20 30 DHEDMO COc1ccccc1[C@@H]1CSCCC[N@H+]1CCCCC#N ZINC000880172781 1034230528 /nfs/dbraw/zinc/23/05/28/1034230528.db2.gz BUFCSJCIJYKTPJ-INIZCTEOSA-N 1 1 304.459 3.869 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1CCCSC[C@H]1c1ccccc1OC ZINC000880173984 1034231660 /nfs/dbraw/zinc/23/16/60/1034231660.db2.gz KTEYNHGOBVWFPI-RDJZCZTQSA-N 1 1 321.486 3.502 20 30 DHEDMO COc1ccccc1[C@@H]1CSCCC[N@H+]1CC1(CC#N)CC1 ZINC000880176875 1034233803 /nfs/dbraw/zinc/23/38/03/1034233803.db2.gz UTUYUJXILKZOMQ-INIZCTEOSA-N 1 1 316.470 3.869 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880277808 1034271963 /nfs/dbraw/zinc/27/19/63/1034271963.db2.gz PTZMFFOQVSVFRG-NVXWUHKLSA-N 1 1 308.429 3.948 20 30 DHEDMO CC[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1nccs1 ZINC000119863621 1034295254 /nfs/dbraw/zinc/29/52/54/1034295254.db2.gz ZDEDQCRBSQPCDK-IUODEOHRSA-N 1 1 301.415 3.675 20 30 DHEDMO C=CCCC[N@@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000554743614 1034299858 /nfs/dbraw/zinc/29/98/58/1034299858.db2.gz YNCBAUNCBJLWDS-HNNXBMFYSA-N 1 1 315.335 3.925 20 30 DHEDMO C=CCCC[N@H+]1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000554743614 1034299872 /nfs/dbraw/zinc/29/98/72/1034299872.db2.gz YNCBAUNCBJLWDS-HNNXBMFYSA-N 1 1 315.335 3.925 20 30 DHEDMO N#Cc1cnccc1C[N@@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880389440 1034318145 /nfs/dbraw/zinc/31/81/45/1034318145.db2.gz UQVYLEQEXQMLIW-SFHVURJKSA-N 1 1 309.438 3.633 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880389440 1034318161 /nfs/dbraw/zinc/31/81/61/1034318161.db2.gz UQVYLEQEXQMLIW-SFHVURJKSA-N 1 1 309.438 3.633 20 30 DHEDMO N#CCSCCC[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880387655 1034319200 /nfs/dbraw/zinc/31/92/00/1034319200.db2.gz LJEQSIPEMCSXJL-INIZCTEOSA-N 1 1 306.500 3.813 20 30 DHEDMO N#CCSCCC[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880387657 1034320894 /nfs/dbraw/zinc/32/08/94/1034320894.db2.gz LJEQSIPEMCSXJL-MRXNPFEDSA-N 1 1 306.500 3.813 20 30 DHEDMO C=CCCC[C@H]([NH2+]Cc1nc(C2CC2)nn1C)c1ccccc1 ZINC000880390901 1034323533 /nfs/dbraw/zinc/32/35/33/1034323533.db2.gz YESGPEFGPPUGOY-KRWDZBQOSA-N 1 1 310.445 3.880 20 30 DHEDMO C[N@H+](CCOCc1ccccc1)Cc1ccc(Cl)cc1C#N ZINC000480573268 1034325117 /nfs/dbraw/zinc/32/51/17/1034325117.db2.gz DRGOFNAIXOSUGX-UHFFFAOYSA-N 1 1 314.816 3.860 20 30 DHEDMO C[N@@H+](CCOCc1ccccc1)Cc1ccc(Cl)cc1C#N ZINC000480573268 1034325137 /nfs/dbraw/zinc/32/51/37/1034325137.db2.gz DRGOFNAIXOSUGX-UHFFFAOYSA-N 1 1 314.816 3.860 20 30 DHEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1cc(C)cs1)CC2 ZINC001137155727 1034346956 /nfs/dbraw/zinc/34/69/56/1034346956.db2.gz GPKVBNULFTYKKE-GOSISDBHSA-N 1 1 318.486 3.590 20 30 DHEDMO C#CCCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000794806166 1034503372 /nfs/dbraw/zinc/50/33/72/1034503372.db2.gz YTQGPKOAVQHRBK-BBRMVZONSA-N 1 1 311.347 3.881 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](C(C)C)[C@@H](CC)c2ccccc2)C1=O ZINC001174818382 1034619208 /nfs/dbraw/zinc/61/92/08/1034619208.db2.gz DLMNOXBEKZXPFY-ROUUACIJSA-N 1 1 300.446 3.635 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000481215482 1034665620 /nfs/dbraw/zinc/66/56/20/1034665620.db2.gz YRSKDEALWSHSTM-CQSZACIVSA-N 1 1 321.490 3.705 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000481215482 1034665622 /nfs/dbraw/zinc/66/56/22/1034665622.db2.gz YRSKDEALWSHSTM-CQSZACIVSA-N 1 1 321.490 3.705 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)Cc1ccccc1 ZINC000555421946 1034689595 /nfs/dbraw/zinc/68/95/95/1034689595.db2.gz XOFWSCZESHZITQ-MJGOQNOKSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)Cc1ccccc1 ZINC000555421946 1034689604 /nfs/dbraw/zinc/68/96/04/1034689604.db2.gz XOFWSCZESHZITQ-MJGOQNOKSA-N 1 1 314.473 3.712 20 30 DHEDMO N#CC1(CCCC[N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CCC1 ZINC001174993446 1034719545 /nfs/dbraw/zinc/71/95/45/1034719545.db2.gz JTKJIKHQIDDTDO-PMACEKPBSA-N 1 1 323.484 3.809 20 30 DHEDMO N#CC1(CCCCN2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)CCC1 ZINC001174993446 1034719558 /nfs/dbraw/zinc/71/95/58/1034719558.db2.gz JTKJIKHQIDDTDO-PMACEKPBSA-N 1 1 323.484 3.809 20 30 DHEDMO N#CC1(CCCCN2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)CCC1 ZINC001174993446 1034719571 /nfs/dbraw/zinc/71/95/71/1034719571.db2.gz JTKJIKHQIDDTDO-PMACEKPBSA-N 1 1 323.484 3.809 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1OC1CC1 ZINC000600109956 1034736020 /nfs/dbraw/zinc/73/60/20/1034736020.db2.gz TZUKJLJGLFESIK-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO C=CCOc1c(Cl)cc(C[NH2+][C@H](CC)CC#N)cc1OC ZINC000600152764 1034773925 /nfs/dbraw/zinc/77/39/25/1034773925.db2.gz WGSYBQMMWGDWKJ-CYBMUJFWSA-N 1 1 308.809 3.695 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)C1(F)F ZINC000600183248 1034794747 /nfs/dbraw/zinc/79/47/47/1034794747.db2.gz JXFNDVWRGODDJO-OKILXGFUSA-N 1 1 304.384 3.965 20 30 DHEDMO COc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1C ZINC000600213412 1034806811 /nfs/dbraw/zinc/80/68/11/1034806811.db2.gz DQKCPTKHFNGRBW-UHFFFAOYSA-N 1 1 306.409 3.628 20 30 DHEDMO CCOc1cccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001175090509 1034807065 /nfs/dbraw/zinc/80/70/65/1034807065.db2.gz GZZDJVXKISADFK-UHFFFAOYSA-N 1 1 313.426 3.750 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)cc1F ZINC000600213132 1034807718 /nfs/dbraw/zinc/80/77/18/1034807718.db2.gz BWZLJLQXGMYMCP-AWEZNQCLSA-N 1 1 316.401 3.757 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(OC)nc1)c1ccc(F)c(F)c1 ZINC000481590145 1034891920 /nfs/dbraw/zinc/89/19/20/1034891920.db2.gz CWLKAYXIZKFBOB-QGZVFWFLSA-N 1 1 304.340 3.775 20 30 DHEDMO N#Cc1cc(NC2=CC[N@H+](Cc3ccccc3)CC2)c(O)cc1F ZINC001175506759 1035018415 /nfs/dbraw/zinc/01/84/15/1035018415.db2.gz LODYRGNAIZJFDK-UHFFFAOYSA-N 1 1 323.371 3.605 20 30 DHEDMO N#Cc1cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c(O)cc1F ZINC001175506759 1035018422 /nfs/dbraw/zinc/01/84/22/1035018422.db2.gz LODYRGNAIZJFDK-UHFFFAOYSA-N 1 1 323.371 3.605 20 30 DHEDMO Cc1nc(C)c([C@@H](C)[N@H+](C)CC#Cc2ccc(F)cc2)s1 ZINC000160061561 1035131851 /nfs/dbraw/zinc/13/18/51/1035131851.db2.gz XWBSSMHOFDGAHZ-CYBMUJFWSA-N 1 1 302.418 3.944 20 30 DHEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC#Cc2ccc(F)cc2)s1 ZINC000160061561 1035131857 /nfs/dbraw/zinc/13/18/57/1035131857.db2.gz XWBSSMHOFDGAHZ-CYBMUJFWSA-N 1 1 302.418 3.944 20 30 DHEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC(C)(C)C1 ZINC000483101912 1035225887 /nfs/dbraw/zinc/22/58/87/1035225887.db2.gz JGTYCGDMQYNILK-CQSZACIVSA-N 1 1 319.836 3.661 20 30 DHEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCC(C)(C)C1 ZINC000483107628 1035228398 /nfs/dbraw/zinc/22/83/98/1035228398.db2.gz GGQGYBYJKMYAEA-CQSZACIVSA-N 1 1 319.836 3.661 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000483117271 1035228573 /nfs/dbraw/zinc/22/85/73/1035228573.db2.gz GKNWAGIUEZMFGC-QGZVFWFLSA-N 1 1 310.372 3.566 20 30 DHEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCC(C)(C)C1 ZINC000483107627 1035229162 /nfs/dbraw/zinc/22/91/62/1035229162.db2.gz GGQGYBYJKMYAEA-AWEZNQCLSA-N 1 1 319.836 3.661 20 30 DHEDMO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)Cc2cc(C#N)n(C)c2)cc1 ZINC000483280691 1035250790 /nfs/dbraw/zinc/25/07/90/1035250790.db2.gz PYNWNYJBZCAYEE-WOJBJXKFSA-N 1 1 307.441 3.973 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1(OC)CCCC1 ZINC000483296379 1035254702 /nfs/dbraw/zinc/25/47/02/1035254702.db2.gz NFKPRSFWZCFGHH-UHFFFAOYSA-N 1 1 304.390 3.542 20 30 DHEDMO C[N@@H+](CCCSCC#N)CCOc1ccccc1C(C)(C)C ZINC000483317850 1035257605 /nfs/dbraw/zinc/25/76/05/1035257605.db2.gz WYUVXBZEWDOKRO-UHFFFAOYSA-N 1 1 320.502 3.942 20 30 DHEDMO C#CC[N@H+](C[C@H](O)c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001176452042 1035271321 /nfs/dbraw/zinc/27/13/21/1035271321.db2.gz IGNOFEFFPILKCS-RTWAWAEBSA-N 1 1 305.421 3.733 20 30 DHEDMO C(#Cc1ccccc1)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000483543320 1035277378 /nfs/dbraw/zinc/27/73/78/1035277378.db2.gz LHJMKJFHFAZQQR-SFHVURJKSA-N 1 1 311.450 3.781 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000483543320 1035277380 /nfs/dbraw/zinc/27/73/80/1035277380.db2.gz LHJMKJFHFAZQQR-SFHVURJKSA-N 1 1 311.450 3.781 20 30 DHEDMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC#Cc2ccccc2)c1 ZINC000483536493 1035278606 /nfs/dbraw/zinc/27/86/06/1035278606.db2.gz ZTMDWEVJPWLEKY-FQEVSTJZSA-N 1 1 321.420 3.892 20 30 DHEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC#Cc2ccccc2)c1 ZINC000483536493 1035278609 /nfs/dbraw/zinc/27/86/09/1035278609.db2.gz ZTMDWEVJPWLEKY-FQEVSTJZSA-N 1 1 321.420 3.892 20 30 DHEDMO N#Cc1cc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)ccc1F ZINC000160981167 1035280003 /nfs/dbraw/zinc/28/00/03/1035280003.db2.gz IUCGIOQPTUHTMH-IBGZPJMESA-N 1 1 324.399 3.879 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)c1ccccc1 ZINC000483598134 1035281870 /nfs/dbraw/zinc/28/18/70/1035281870.db2.gz FWXAAAXMSJOUOL-OAHLLOKOSA-N 1 1 312.388 3.907 20 30 DHEDMO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483678710 1035289870 /nfs/dbraw/zinc/28/98/70/1035289870.db2.gz CRZQHVRBJGGHCB-GWCFXTLKSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483678710 1035289874 /nfs/dbraw/zinc/28/98/74/1035289874.db2.gz CRZQHVRBJGGHCB-GWCFXTLKSA-N 1 1 300.299 3.860 20 30 DHEDMO CC[C@](C)(O)C[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000483978073 1035311360 /nfs/dbraw/zinc/31/13/60/1035311360.db2.gz ALEHEYOSAFWGOI-NRFANRHFSA-N 1 1 307.437 3.701 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)c1 ZINC001176926058 1035335589 /nfs/dbraw/zinc/33/55/89/1035335589.db2.gz GXJFCBXUMXQTES-IRXDYDNUSA-N 1 1 304.821 3.745 20 30 DHEDMO C=CCC[N@H+]1C[C@H]2CCCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC001177022187 1035344390 /nfs/dbraw/zinc/34/43/90/1035344390.db2.gz MBHZMKHHVQKYNX-QAPCUYQASA-N 1 1 308.466 3.579 20 30 DHEDMO CCc1ccc([C@H]2C[N@H+](Cc3ccc(CC#N)cc3)CCO2)cc1 ZINC000484577997 1035364460 /nfs/dbraw/zinc/36/44/60/1035364460.db2.gz VIJWVGAVLIRFPA-OAQYLSRUSA-N 1 1 320.436 3.889 20 30 DHEDMO CCc1ccc([C@H]2C[N@@H+](Cc3ccc(CC#N)cc3)CCO2)cc1 ZINC000484577997 1035364463 /nfs/dbraw/zinc/36/44/63/1035364463.db2.gz VIJWVGAVLIRFPA-OAQYLSRUSA-N 1 1 320.436 3.889 20 30 DHEDMO C=CC[N@@H+](CC[S@@](=O)c1ccccc1)CC1CCCCC1 ZINC000484661762 1035382896 /nfs/dbraw/zinc/38/28/96/1035382896.db2.gz DTDUPDICERULDE-OAQYLSRUSA-N 1 1 305.487 3.863 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1ccccc1OC)CC1CCCCC1 ZINC000484671410 1035385195 /nfs/dbraw/zinc/38/51/95/1035385195.db2.gz RTTMPQAROCDUJR-UHFFFAOYSA-N 1 1 316.445 3.702 20 30 DHEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)CCCCCCCC)C1 ZINC001177760062 1035391101 /nfs/dbraw/zinc/39/11/01/1035391101.db2.gz XBEIXYLFPNMSAU-QZTJIDSGSA-N 1 1 306.494 3.587 20 30 DHEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CCCCCCCC)C1 ZINC001177760062 1035391107 /nfs/dbraw/zinc/39/11/07/1035391107.db2.gz XBEIXYLFPNMSAU-QZTJIDSGSA-N 1 1 306.494 3.587 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2c(F)cccc2Cl)no1 ZINC000904513280 1035421073 /nfs/dbraw/zinc/42/10/73/1035421073.db2.gz ABDGFXYNLJYTGW-CYBMUJFWSA-N 1 1 309.772 3.809 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(C2(c3cc(F)ccc3C)CC2)no1 ZINC000904718762 1035444368 /nfs/dbraw/zinc/44/43/68/1035444368.db2.gz QLKGLNNUUFJISY-OAHLLOKOSA-N 1 1 315.392 3.953 20 30 DHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2nccc(C)n2)no1 ZINC000904707611 1035446057 /nfs/dbraw/zinc/44/60/57/1035446057.db2.gz IRLDALDEMRMSLS-CYBMUJFWSA-N 1 1 303.410 3.585 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H]2CSc3ccccc3O2)no1 ZINC000904710176 1035446132 /nfs/dbraw/zinc/44/61/32/1035446132.db2.gz ZURWMTNFPOOKHJ-DGCLKSJQSA-N 1 1 317.414 3.652 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H]2CSc3ccccc3O2)no1 ZINC000904710175 1035446257 /nfs/dbraw/zinc/44/62/57/1035446257.db2.gz ZURWMTNFPOOKHJ-AAEUAGOBSA-N 1 1 317.414 3.652 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](CC)CCCC ZINC000485007789 1035452078 /nfs/dbraw/zinc/45/20/78/1035452078.db2.gz ZMXZJHDCDBUHBZ-HNNXBMFYSA-N 1 1 308.491 3.773 20 30 DHEDMO C[N@@H+]1CCc2c(C#N)c(Nc3cc(F)cc(F)c3F)sc2C1 ZINC001206382969 1035483552 /nfs/dbraw/zinc/48/35/52/1035483552.db2.gz KVFLPYYVJFKCTL-UHFFFAOYSA-N 1 1 323.343 3.769 20 30 DHEDMO C[N@H+]1CCc2c(C#N)c(Nc3cc(F)cc(F)c3F)sc2C1 ZINC001206382969 1035483554 /nfs/dbraw/zinc/48/35/54/1035483554.db2.gz KVFLPYYVJFKCTL-UHFFFAOYSA-N 1 1 323.343 3.769 20 30 DHEDMO C#Cc1ccc(NC(=O)c2sccc2C[NH+](C)C)c(Cl)c1 ZINC001179656795 1035487238 /nfs/dbraw/zinc/48/72/38/1035487238.db2.gz WLMLFFFSZDHDER-UHFFFAOYSA-N 1 1 318.829 3.697 20 30 DHEDMO COCC[N@@H+](CCCc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC001180030709 1035570335 /nfs/dbraw/zinc/57/03/35/1035570335.db2.gz OCEAGSQTPXEZFC-UHFFFAOYSA-N 1 1 322.452 3.948 20 30 DHEDMO C=C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC000535383825 1035604545 /nfs/dbraw/zinc/60/45/45/1035604545.db2.gz QSNKTAMPOLYSRV-SCTDSRPQSA-N 1 1 314.473 3.678 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@H]2CC)c1 ZINC001180161603 1035614652 /nfs/dbraw/zinc/61/46/52/1035614652.db2.gz IZQYBDZFKNOIFP-MSOLQXFVSA-N 1 1 312.457 3.755 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)cc(F)c1O ZINC001180225918 1035622475 /nfs/dbraw/zinc/62/24/75/1035622475.db2.gz XBZILMHXVANXAF-UHFFFAOYSA-N 1 1 316.351 3.954 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)cc(F)c1O ZINC001180225918 1035622483 /nfs/dbraw/zinc/62/24/83/1035622483.db2.gz XBZILMHXVANXAF-UHFFFAOYSA-N 1 1 316.351 3.954 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000668493246 1035666000 /nfs/dbraw/zinc/66/60/00/1035666000.db2.gz LGPOLKDWTUQBGB-VQIMIIECSA-N 1 1 301.430 3.642 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3OC)nc2)C1 ZINC000668493094 1035666081 /nfs/dbraw/zinc/66/60/81/1035666081.db2.gz KGEDTTFLNUBAPS-INIZCTEOSA-N 1 1 323.440 3.940 20 30 DHEDMO C=CC[C@@H]1CCC[N@@H+](Cc2c(F)cncc2Br)C1 ZINC000668494151 1035670499 /nfs/dbraw/zinc/67/04/99/1035670499.db2.gz WOOVKSALQIMWHV-LLVKDONJSA-N 1 1 313.214 3.771 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(F)cncc2Br)C1 ZINC000668494151 1035670508 /nfs/dbraw/zinc/67/05/08/1035670508.db2.gz WOOVKSALQIMWHV-LLVKDONJSA-N 1 1 313.214 3.771 20 30 DHEDMO C[N@H+](CCOc1ccc(Cl)cc1)Cc1cccc(F)c1C#N ZINC001180565961 1035721462 /nfs/dbraw/zinc/72/14/62/1035721462.db2.gz LDAOWNNQZWNRSV-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1cccc(F)c1C#N ZINC001180565961 1035721478 /nfs/dbraw/zinc/72/14/78/1035721478.db2.gz LDAOWNNQZWNRSV-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C=CC[N@H+](Cc1cn(-c2ccccc2Cl)nc1C)C1CC1 ZINC001180708339 1035747289 /nfs/dbraw/zinc/74/72/89/1035747289.db2.gz SWJMORXLXJRSGO-UHFFFAOYSA-N 1 1 301.821 3.985 20 30 DHEDMO CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)N1CCC(C)CC1 ZINC000539499722 1035751208 /nfs/dbraw/zinc/75/12/08/1035751208.db2.gz NORNQJAUBHIMFD-FXAWDEMLSA-N 1 1 313.489 3.965 20 30 DHEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000494646817 1035758856 /nfs/dbraw/zinc/75/88/56/1035758856.db2.gz GPQOCELCRMZJCT-ZDUSSCGKSA-N 1 1 315.442 3.563 20 30 DHEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000494646817 1035758870 /nfs/dbraw/zinc/75/88/70/1035758870.db2.gz GPQOCELCRMZJCT-ZDUSSCGKSA-N 1 1 315.442 3.563 20 30 DHEDMO C=CC[N@@H+](C)Cc1nc2ccccc2n1-c1ccc(OC)cc1 ZINC000494642838 1035759027 /nfs/dbraw/zinc/75/90/27/1035759027.db2.gz LAQROJKWUDIBHT-UHFFFAOYSA-N 1 1 307.397 3.652 20 30 DHEDMO C=CC[N@H+](C)Cc1nc2ccccc2n1-c1ccc(OC)cc1 ZINC000494642838 1035759047 /nfs/dbraw/zinc/75/90/47/1035759047.db2.gz LAQROJKWUDIBHT-UHFFFAOYSA-N 1 1 307.397 3.652 20 30 DHEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000494657783 1035761735 /nfs/dbraw/zinc/76/17/35/1035761735.db2.gz CBJXQCDJSNRGNF-CABCVRRESA-N 1 1 323.481 3.551 20 30 DHEDMO C=CCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000539835253 1035898045 /nfs/dbraw/zinc/89/80/45/1035898045.db2.gz XLLNJHGQUMSFBB-UHFFFAOYSA-N 1 1 300.305 3.594 20 30 DHEDMO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000773933742 1035942591 /nfs/dbraw/zinc/94/25/91/1035942591.db2.gz FUZYARLDJPRNBH-KRWDZBQOSA-N 1 1 308.425 3.960 20 30 DHEDMO N#Cc1ccc(OCCC[N@@H+](CC(F)F)CC2CCC2)cc1 ZINC000761725696 1036016478 /nfs/dbraw/zinc/01/64/78/1036016478.db2.gz HDUHTWFHNRRENW-UHFFFAOYSA-N 1 1 308.372 3.694 20 30 DHEDMO N#Cc1ccc(OCCC[N@H+](CC(F)F)CC2CCC2)cc1 ZINC000761725696 1036016498 /nfs/dbraw/zinc/01/64/98/1036016498.db2.gz HDUHTWFHNRRENW-UHFFFAOYSA-N 1 1 308.372 3.694 20 30 DHEDMO CCC[N@@H+](CCN1CCCCCC1)CC1CCC(C#N)CC1 ZINC001194782262 1036018013 /nfs/dbraw/zinc/01/80/13/1036018013.db2.gz PKZLLHDKDPWYHI-UHFFFAOYSA-N 1 1 305.510 3.904 20 30 DHEDMO CC[N@@H+](Cc1c(C)cc(C#N)cc1C)[C@@H]1CCOC(C)(C)C1 ZINC001194782428 1036019058 /nfs/dbraw/zinc/01/90/58/1036019058.db2.gz RITMNBDHVJGOET-QGZVFWFLSA-N 1 1 300.446 3.955 20 30 DHEDMO CCCCC[N@@H+](C)CCC(=O)Nc1ccc([C@@H](C)C#N)cc1 ZINC001181864998 1036019217 /nfs/dbraw/zinc/01/92/17/1036019217.db2.gz NUOPOVUQNGMFPM-HNNXBMFYSA-N 1 1 301.434 3.764 20 30 DHEDMO C[C@@H](CCc1ccccc1)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761757256 1036088133 /nfs/dbraw/zinc/08/81/33/1036088133.db2.gz QGHCJFJXNCAZQH-UWJYYQICSA-N 1 1 320.436 3.953 20 30 DHEDMO C[C@@H]([NH2+]CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000540597259 1036109702 /nfs/dbraw/zinc/10/97/02/1036109702.db2.gz MVLZOESPVDLJJN-BRWVUGGUSA-N 1 1 313.489 3.965 20 30 DHEDMO C=CCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000043391414 1036129787 /nfs/dbraw/zinc/12/97/87/1036129787.db2.gz AFXFHIIYFWNOEQ-UHFFFAOYSA-N 1 1 301.434 3.759 20 30 DHEDMO C[C@H](N[C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000540708420 1036135348 /nfs/dbraw/zinc/13/53/48/1036135348.db2.gz SBFCCCXBBVVVJZ-GUYCJALGSA-N 1 1 305.441 3.714 20 30 DHEDMO C[C@H]([NH2+][C@@H](CCN(C)C)C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000540708420 1036135350 /nfs/dbraw/zinc/13/53/50/1036135350.db2.gz SBFCCCXBBVVVJZ-GUYCJALGSA-N 1 1 305.441 3.714 20 30 DHEDMO CCCC[N@@H+](CC)[C@@H](C(=O)NCC(C)(C)S)c1ccccc1 ZINC001182233957 1036140447 /nfs/dbraw/zinc/14/04/47/1036140447.db2.gz AJIOZYBXCKUUGV-MRXNPFEDSA-N 1 1 322.518 3.674 20 30 DHEDMO C=CC[C@H](C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000495009779 1036183013 /nfs/dbraw/zinc/18/30/13/1036183013.db2.gz VGZDUDREWVAAAF-LMMKCTJWSA-N 1 1 314.473 3.583 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2C)C1 ZINC001182321608 1036222783 /nfs/dbraw/zinc/22/27/83/1036222783.db2.gz YPYOKQSLFWMPSH-IBGZPJMESA-N 1 1 314.473 3.632 20 30 DHEDMO C=CC[C@H](CO)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774269798 1036268851 /nfs/dbraw/zinc/26/88/51/1036268851.db2.gz CLEYCXCFYBPCLD-ZJUUUORDSA-N 1 1 304.217 3.534 20 30 DHEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC001195526986 1036279929 /nfs/dbraw/zinc/27/99/29/1036279929.db2.gz NLCGSGYLFKLOEO-DOTOQJQBSA-N 1 1 318.436 3.509 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc(N(CC)CC)s1 ZINC000495184061 1036322774 /nfs/dbraw/zinc/32/27/74/1036322774.db2.gz NHIGDYGCJZJPKK-UHFFFAOYSA-N 1 1 319.474 3.813 20 30 DHEDMO COCC[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(C)o1 ZINC000541648108 1036392688 /nfs/dbraw/zinc/39/26/88/1036392688.db2.gz KRIALSSFDHLNNJ-QGZVFWFLSA-N 1 1 317.816 3.960 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC001195946172 1036401577 /nfs/dbraw/zinc/40/15/77/1036401577.db2.gz IHYLHYLLZQHSKZ-AWEZNQCLSA-N 1 1 306.837 3.957 20 30 DHEDMO C=CC[N@H+](Cc1cccc(C)c1Br)[C@H](C)COC ZINC001196047676 1036428000 /nfs/dbraw/zinc/42/80/00/1036428000.db2.gz BESSRJBXZCQPDN-CYBMUJFWSA-N 1 1 312.251 3.780 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C)c1Br)[C@H](C)COC ZINC001196047676 1036428005 /nfs/dbraw/zinc/42/80/05/1036428005.db2.gz BESSRJBXZCQPDN-CYBMUJFWSA-N 1 1 312.251 3.780 20 30 DHEDMO C=CC[N@@H+](C[C@@H]1CCC[C@@H](c2ccccc2)O1)[C@H](C)COC ZINC001196048498 1036429767 /nfs/dbraw/zinc/42/97/67/1036429767.db2.gz WOTIQNKILWTQJC-NEWSRXKRSA-N 1 1 303.446 3.820 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153411040 1036460314 /nfs/dbraw/zinc/46/03/14/1036460314.db2.gz BQGXQZVVWXVNMX-UHFFFAOYSA-N 1 1 315.760 3.752 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153411040 1036460323 /nfs/dbraw/zinc/46/03/23/1036460323.db2.gz BQGXQZVVWXVNMX-UHFFFAOYSA-N 1 1 315.760 3.752 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1nc2ccc(C)cc2s1)C(C)(C)C ZINC001196199020 1036470184 /nfs/dbraw/zinc/47/01/84/1036470184.db2.gz VZHXZPRJZSWSDZ-UHFFFAOYSA-N 1 1 317.458 3.830 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1nc2ccc(C)cc2s1)C(C)(C)C ZINC001196199020 1036470191 /nfs/dbraw/zinc/47/01/91/1036470191.db2.gz VZHXZPRJZSWSDZ-UHFFFAOYSA-N 1 1 317.458 3.830 20 30 DHEDMO CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000443658093 1036487066 /nfs/dbraw/zinc/48/70/66/1036487066.db2.gz NHVAJFXEAGNZMQ-PWIZWCRZSA-N 1 1 310.441 3.924 20 30 DHEDMO N#Cc1ccccc1NC1CC[NH+](CC=C(Cl)Cl)CC1 ZINC001196544524 1036565124 /nfs/dbraw/zinc/56/51/24/1036565124.db2.gz FLHFYJLHUYMJNK-UHFFFAOYSA-N 1 1 310.228 3.754 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc([N+](=O)[O-])c1C ZINC000491409799 1036570195 /nfs/dbraw/zinc/57/01/95/1036570195.db2.gz KDSYSUYYFKETKI-UHFFFAOYSA-N 1 1 300.358 3.727 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC001196622142 1036583278 /nfs/dbraw/zinc/58/32/78/1036583278.db2.gz DBQMQRRYJPULDK-HXUWFJFHSA-N 1 1 307.437 3.963 20 30 DHEDMO Cc1cccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1O ZINC000775735823 1036590833 /nfs/dbraw/zinc/59/08/33/1036590833.db2.gz ZCIXVEUWWFQYOT-RTBURBONSA-N 1 1 306.409 3.972 20 30 DHEDMO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nnc2n1CCCCC2 ZINC000271888321 1036618846 /nfs/dbraw/zinc/61/88/46/1036618846.db2.gz RGEKYKHIAHPNCU-RHSMWYFYSA-N 1 1 323.444 3.678 20 30 DHEDMO CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000030144466 1036631047 /nfs/dbraw/zinc/63/10/47/1036631047.db2.gz CVUIROWMIIUUMB-CYBMUJFWSA-N 1 1 319.836 3.662 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000030196636 1036631446 /nfs/dbraw/zinc/63/14/46/1036631446.db2.gz JXILAYKTQNMNQO-UHFFFAOYSA-N 1 1 306.409 3.836 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C)CC2=CCSC2)ccc1OC ZINC000668775842 1036653054 /nfs/dbraw/zinc/65/30/54/1036653054.db2.gz RLPIFBUHSZMJGA-UHFFFAOYSA-N 1 1 319.470 3.755 20 30 DHEDMO COC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(C)o1 ZINC000271918025 1036677303 /nfs/dbraw/zinc/67/73/03/1036677303.db2.gz CYNDXPRLGAMMQO-BLLLJJGKSA-N 1 1 302.349 3.637 20 30 DHEDMO CCc1noc(CC)c1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271943840 1036737992 /nfs/dbraw/zinc/73/79/92/1036737992.db2.gz MUZFGZDLXILMES-NSHDSACASA-N 1 1 301.365 3.661 20 30 DHEDMO C=CCCC[N@H+](CC)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001184189754 1036755416 /nfs/dbraw/zinc/75/54/16/1036755416.db2.gz ZNPHSBQQQDXZTI-UHFFFAOYSA-N 1 1 308.429 3.747 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Br)ccc2Cl)C1 ZINC001197702182 1036848154 /nfs/dbraw/zinc/84/81/54/1036848154.db2.gz UMPMIMKCMWLDJC-NSHDSACASA-N 1 1 312.638 3.948 20 30 DHEDMO C[C@H]1CN(CC#Cc2cccc(Cl)c2)CC[N@H+]1C1CCCC1 ZINC001197796728 1036874043 /nfs/dbraw/zinc/87/40/43/1036874043.db2.gz FYBVVHWJZAMWRV-INIZCTEOSA-N 1 1 316.876 3.640 20 30 DHEDMO Cc1cc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)ccc1C#N ZINC000488220031 1036904602 /nfs/dbraw/zinc/90/46/02/1036904602.db2.gz SPMUKZUEKSEPJR-OAQYLSRUSA-N 1 1 320.436 3.700 20 30 DHEDMO C[N@H+](Cc1nc2c(s1)CCCC2)CC1CCC(C#N)CC1 ZINC000929775384 1036932149 /nfs/dbraw/zinc/93/21/49/1036932149.db2.gz YGGFQPFVKNDXHG-UHFFFAOYSA-N 1 1 303.475 3.784 20 30 DHEDMO CC(C)C[C@H]1CN(C)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC001198085224 1036946149 /nfs/dbraw/zinc/94/61/49/1036946149.db2.gz QIKZNIWGNNLAOU-SFHVURJKSA-N 1 1 313.489 3.650 20 30 DHEDMO CC(C)C[C@H]1C[N@H+](C)CCN1Cc1ccccc1C(C)(C)C#N ZINC001198085224 1036946167 /nfs/dbraw/zinc/94/61/67/1036946167.db2.gz QIKZNIWGNNLAOU-SFHVURJKSA-N 1 1 313.489 3.650 20 30 DHEDMO CC(C)C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1C(C)(C)C#N ZINC001198085224 1036946182 /nfs/dbraw/zinc/94/61/82/1036946182.db2.gz QIKZNIWGNNLAOU-SFHVURJKSA-N 1 1 313.489 3.650 20 30 DHEDMO Cc1ccc(OCC[N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000121501136 1036958481 /nfs/dbraw/zinc/95/84/81/1036958481.db2.gz SZKPNURTSPWGFW-KRWDZBQOSA-N 1 1 324.424 3.797 20 30 DHEDMO CC(C)[N@H+]1CCC[C@H](CNc2ncc(C#N)c3ccsc32)C1 ZINC001185089008 1037022566 /nfs/dbraw/zinc/02/25/66/1037022566.db2.gz RVYXQAAMTHSWIB-CYBMUJFWSA-N 1 1 314.458 3.700 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000044089737 1037043035 /nfs/dbraw/zinc/04/30/35/1037043035.db2.gz KDTHEBPQVUCRSJ-HNNXBMFYSA-N 1 1 312.413 3.626 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000044089737 1037043053 /nfs/dbraw/zinc/04/30/53/1037043053.db2.gz KDTHEBPQVUCRSJ-HNNXBMFYSA-N 1 1 312.413 3.626 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000488553672 1037071605 /nfs/dbraw/zinc/07/16/05/1037071605.db2.gz LPLQGMUAAMYEGB-ZIAGYGMSSA-N 1 1 308.853 3.804 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000488609110 1037090946 /nfs/dbraw/zinc/09/09/46/1037090946.db2.gz HTHNNALZHSZKQZ-KRWDZBQOSA-N 1 1 302.462 3.710 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)CC2)cc1 ZINC001198708635 1037116874 /nfs/dbraw/zinc/11/68/74/1037116874.db2.gz ZZEPXYFFSUGCDL-HXUWFJFHSA-N 1 1 322.408 3.553 20 30 DHEDMO C=CCn1cccc1C(=O)Nc1cccc2c1C[N@H+](CCC)C2 ZINC000488876512 1037172375 /nfs/dbraw/zinc/17/23/75/1037172375.db2.gz GMQFDPARFJWDOE-UHFFFAOYSA-N 1 1 309.413 3.652 20 30 DHEDMO C=CCn1cccc1C(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC000488876512 1037172384 /nfs/dbraw/zinc/17/23/84/1037172384.db2.gz GMQFDPARFJWDOE-UHFFFAOYSA-N 1 1 309.413 3.652 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](CNCc1ccc(C)cc1F)C(C)C ZINC001199196966 1037213531 /nfs/dbraw/zinc/21/35/31/1037213531.db2.gz DEXFIOPZDQLCEK-LJQANCHMSA-N 1 1 304.453 3.922 20 30 DHEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000489026069 1037233451 /nfs/dbraw/zinc/23/34/51/1037233451.db2.gz XYIKSHWREZCYIF-FQEVSTJZSA-N 1 1 308.425 3.556 20 30 DHEDMO Cc1cc(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1C#N ZINC001185949569 1037270026 /nfs/dbraw/zinc/27/00/26/1037270026.db2.gz RIYSGXICSYKKCQ-SJLPKXTDSA-N 1 1 320.440 3.584 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](Cc2nccn2C)C(C)(C)C)cc1 ZINC000177848263 1037275545 /nfs/dbraw/zinc/27/55/45/1037275545.db2.gz QTDIIUQDQBYMRR-UHFFFAOYSA-N 1 1 313.445 3.786 20 30 DHEDMO C=CCOc1ccc(C[N@H+](Cc2nccn2C)C(C)(C)C)cc1 ZINC000177848263 1037275558 /nfs/dbraw/zinc/27/55/58/1037275558.db2.gz QTDIIUQDQBYMRR-UHFFFAOYSA-N 1 1 313.445 3.786 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC1(C)C ZINC000489427151 1037424915 /nfs/dbraw/zinc/42/49/15/1037424915.db2.gz OJPHFPQXOKEUOA-HNNXBMFYSA-N 1 1 304.459 3.634 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CC1(C)C ZINC000489427151 1037424924 /nfs/dbraw/zinc/42/49/24/1037424924.db2.gz OJPHFPQXOKEUOA-HNNXBMFYSA-N 1 1 304.459 3.634 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000489426102 1037425504 /nfs/dbraw/zinc/42/55/04/1037425504.db2.gz LHLLVCQMJBXWTB-CQSZACIVSA-N 1 1 305.219 3.861 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000489426102 1037425507 /nfs/dbraw/zinc/42/55/07/1037425507.db2.gz LHLLVCQMJBXWTB-CQSZACIVSA-N 1 1 305.219 3.861 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000489485266 1037460020 /nfs/dbraw/zinc/46/00/20/1037460020.db2.gz VCPOJVKPIROPKP-CQSZACIVSA-N 1 1 322.836 3.718 20 30 DHEDMO C[N@H+](CCCOc1ccc(F)cc1)Cc1ccc(F)cc1C#N ZINC000489568607 1037489079 /nfs/dbraw/zinc/48/90/79/1037489079.db2.gz RTPXUFKOZDHSEN-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1ccc(F)cc1C#N ZINC000489568607 1037489091 /nfs/dbraw/zinc/48/90/91/1037489091.db2.gz RTPXUFKOZDHSEN-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO CC(C)CC[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763242641 1037525791 /nfs/dbraw/zinc/52/57/91/1037525791.db2.gz VGFBZOKYKWZYFL-RTBURBONSA-N 1 1 300.446 3.882 20 30 DHEDMO CC(C)CC[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763242638 1037526532 /nfs/dbraw/zinc/52/65/32/1037526532.db2.gz VGFBZOKYKWZYFL-OALUTQOASA-N 1 1 300.446 3.882 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC#Cc1ccccc1 ZINC000398000478 1037577691 /nfs/dbraw/zinc/57/76/91/1037577691.db2.gz VRNDYRULILXLTR-DENIHFKCSA-N 1 1 318.464 3.538 20 30 DHEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000398000478 1037577699 /nfs/dbraw/zinc/57/76/99/1037577699.db2.gz VRNDYRULILXLTR-DENIHFKCSA-N 1 1 318.464 3.538 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000493999463 1037614210 /nfs/dbraw/zinc/61/42/10/1037614210.db2.gz IWOGRYVFVZFNSF-UHFFFAOYSA-N 1 1 305.381 3.680 20 30 DHEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](CC1CCCCC1)C2 ZINC001201390554 1037649284 /nfs/dbraw/zinc/64/92/84/1037649284.db2.gz XTJHAUTUKPTSED-OALUTQOASA-N 1 1 307.478 3.640 20 30 DHEDMO CCCCCCCCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000916193918 1037706535 /nfs/dbraw/zinc/70/65/35/1037706535.db2.gz ABHJPXDALGCUHX-DLBZAZTESA-N 1 1 309.498 3.663 20 30 DHEDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC000488114061 1037760308 /nfs/dbraw/zinc/76/03/08/1037760308.db2.gz STEMBAFJYZXQBW-FQEVSTJZSA-N 1 1 308.425 3.640 20 30 DHEDMO C=CCOCc1nn(C)c2c1C[N@@H+](C[C@@H](CC)CCCC)CC2 ZINC001201558369 1037775330 /nfs/dbraw/zinc/77/53/30/1037775330.db2.gz BKJQNUYJPXXQRW-INIZCTEOSA-N 1 1 319.493 3.697 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000185089285 1037778088 /nfs/dbraw/zinc/77/80/88/1037778088.db2.gz JPMVQYONWBADMS-MRXNPFEDSA-N 1 1 314.473 3.542 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2cccc(SCC)c2)CC1 ZINC000185523586 1037815384 /nfs/dbraw/zinc/81/53/84/1037815384.db2.gz KIUQACINJKLZDR-UHFFFAOYSA-N 1 1 304.503 3.929 20 30 DHEDMO CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccc(F)cc1 ZINC000763396231 1037816850 /nfs/dbraw/zinc/81/68/50/1037816850.db2.gz CTNULQXZDKVQON-KUHUBIRLSA-N 1 1 312.388 3.814 20 30 DHEDMO Cc1ccccc1C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763398114 1037818264 /nfs/dbraw/zinc/81/82/64/1037818264.db2.gz QCLZYCJSVQRXTA-FQEVSTJZSA-N 1 1 306.409 3.565 20 30 DHEDMO CCCCCCCC[N@@H+]1Cc2c(cnn2C)[C@H](COCC)C1 ZINC001201804521 1037900510 /nfs/dbraw/zinc/90/05/10/1037900510.db2.gz NQBIUZSNUSYJNK-INIZCTEOSA-N 1 1 307.482 3.716 20 30 DHEDMO CCCCCCCC[N@@H+]1Cc2ncn(C)c2[C@@H](COCC)C1 ZINC001201814945 1037901039 /nfs/dbraw/zinc/90/10/39/1037901039.db2.gz UQMUCBCELJVPLV-MRXNPFEDSA-N 1 1 307.482 3.716 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@]2(C1)c1ccccc1N(C)C2=O ZINC001201776331 1037905616 /nfs/dbraw/zinc/90/56/16/1037905616.db2.gz BTSVWTDNDARPRK-IBGZPJMESA-N 1 1 300.446 3.577 20 30 DHEDMO CCCCCCCCC[N@H+]1CCc2ncc(C(=O)OC)cc2C1 ZINC001201852535 1037909344 /nfs/dbraw/zinc/90/93/44/1037909344.db2.gz CGXAHVBKNSURIX-UHFFFAOYSA-N 1 1 318.461 3.977 20 30 DHEDMO CCCCCCCCC[N@@H+]1Cc2nnn(CC)c2[C@H](COC)C1 ZINC001201840038 1037917296 /nfs/dbraw/zinc/91/72/96/1037917296.db2.gz SEEBQQKWONTPEY-INIZCTEOSA-N 1 1 322.497 3.594 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000775180175 1037938085 /nfs/dbraw/zinc/93/80/85/1037938085.db2.gz WBZJUPODMKKKII-NSHDSACASA-N 1 1 318.760 3.962 20 30 DHEDMO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000586776205 1037948940 /nfs/dbraw/zinc/94/89/40/1037948940.db2.gz YZXONIHOERBVAS-DNVCBOLYSA-N 1 1 321.424 3.935 20 30 DHEDMO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000586776206 1037949922 /nfs/dbraw/zinc/94/99/22/1037949922.db2.gz YZXONIHOERBVAS-HNAYVOBHSA-N 1 1 321.424 3.935 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000775184028 1037950611 /nfs/dbraw/zinc/95/06/11/1037950611.db2.gz SQAWHTHJGSACLK-GFCCVEGCSA-N 1 1 300.383 3.777 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000775184029 1037951635 /nfs/dbraw/zinc/95/16/35/1037951635.db2.gz SQAWHTHJGSACLK-LBPRGKRZSA-N 1 1 300.383 3.777 20 30 DHEDMO C/C(=C/c1ccccc1)C[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000494242323 1038000150 /nfs/dbraw/zinc/00/01/50/1038000150.db2.gz RNOGHFXISONCFT-WJDWOHSUSA-N 1 1 319.408 3.532 20 30 DHEDMO C/C(=C/c1ccccc1)C[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000494242323 1038000169 /nfs/dbraw/zinc/00/01/69/1038000169.db2.gz RNOGHFXISONCFT-WJDWOHSUSA-N 1 1 319.408 3.532 20 30 DHEDMO C=CCC(CC=C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000125974588 1038001386 /nfs/dbraw/zinc/00/13/86/1038001386.db2.gz QOTVGGVEUJDWSM-UHFFFAOYSA-N 1 1 318.505 3.869 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1CCCC1)[C@H]2CC ZINC001202139080 1038060361 /nfs/dbraw/zinc/06/03/61/1038060361.db2.gz MBJXIUMDVNWJQD-HKUYNNGSSA-N 1 1 304.478 3.598 20 30 DHEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2csc(CC)n2)cc1 ZINC000156424737 1038089545 /nfs/dbraw/zinc/08/95/45/1038089545.db2.gz YEPKWCHMAKZSDR-CYBMUJFWSA-N 1 1 300.427 3.568 20 30 DHEDMO C=CC[N@@H+](C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1)C(C)C ZINC000917069077 1038166462 /nfs/dbraw/zinc/16/64/62/1038166462.db2.gz GILKDUUHLHJUPV-RHSMWYFYSA-N 1 1 311.853 3.675 20 30 DHEDMO C=CC[N@@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C(C)C ZINC000917071310 1038170992 /nfs/dbraw/zinc/17/09/92/1038170992.db2.gz QRPFWYVPYLWSJA-LBPRGKRZSA-N 1 1 318.244 3.630 20 30 DHEDMO C[N@@H+]1CC[C@H](NCC#Cc2cccc(Cl)c2)[C@@H]1c1ccccc1 ZINC000571690628 1038181109 /nfs/dbraw/zinc/18/11/09/1038181109.db2.gz JRBJLRQTVJBLAQ-PMACEKPBSA-N 1 1 324.855 3.727 20 30 DHEDMO C[N@H+]1CC[C@H](NCC#Cc2cccc(Cl)c2)[C@@H]1c1ccccc1 ZINC000571690628 1038181115 /nfs/dbraw/zinc/18/11/15/1038181115.db2.gz JRBJLRQTVJBLAQ-PMACEKPBSA-N 1 1 324.855 3.727 20 30 DHEDMO C#CC[N@H+](CCOc1ccccc1OC)[C@H]1CCc2ccccc21 ZINC000917118926 1038220480 /nfs/dbraw/zinc/22/04/80/1038220480.db2.gz KGMLHPSEZAMQDF-IBGZPJMESA-N 1 1 321.420 3.697 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCCCCC#N)C1 ZINC000588365297 1038308214 /nfs/dbraw/zinc/30/82/14/1038308214.db2.gz PVMMMEORDAUKHN-ROUUACIJSA-N 1 1 319.493 3.573 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2nonc2c1 ZINC001190615416 1038345244 /nfs/dbraw/zinc/34/52/44/1038345244.db2.gz BIMBSBXDXMHSHH-UHFFFAOYSA-N 1 1 320.396 3.753 20 30 DHEDMO CC[N@H+](Cc1ccc(Cl)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC001190627548 1038357573 /nfs/dbraw/zinc/35/75/73/1038357573.db2.gz ICSKTZKCJLXEOV-SFHVURJKSA-N 1 1 314.816 3.767 20 30 DHEDMO C#CC[N@H+](Cc1ccc(F)cc1)C[C@]1(C)CC1(Cl)Cl ZINC001190708443 1038366904 /nfs/dbraw/zinc/36/69/04/1038366904.db2.gz SFZAJMSPFJXLHZ-AWEZNQCLSA-N 1 1 300.204 3.845 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@]1(C)CC1(Cl)Cl ZINC001190708443 1038366910 /nfs/dbraw/zinc/36/69/10/1038366910.db2.gz SFZAJMSPFJXLHZ-AWEZNQCLSA-N 1 1 300.204 3.845 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccnc(C#N)c2)C(C)(C)C)cc1 ZINC000588985118 1038416318 /nfs/dbraw/zinc/41/63/18/1038416318.db2.gz IUQFUVIWPIZIFB-UHFFFAOYSA-N 1 1 309.413 3.763 20 30 DHEDMO Cc1ccc([C@@H]2CCCC[N@H+]2C[C@@H](O)CC2(C#N)CCC2)cc1 ZINC001191193507 1038458057 /nfs/dbraw/zinc/45/80/57/1038458057.db2.gz MRFCTYUQDKQINM-OALUTQOASA-N 1 1 312.457 3.967 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001191910755 1038561459 /nfs/dbraw/zinc/56/14/59/1038561459.db2.gz RRMYUWRIZSKPPF-CVEARBPZSA-N 1 1 310.482 3.968 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001191910756 1038562041 /nfs/dbraw/zinc/56/20/41/1038562041.db2.gz RRMYUWRIZSKPPF-HOTGVXAUSA-N 1 1 310.482 3.968 20 30 DHEDMO CC(C)C[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC(C)(C)C ZINC001192222789 1038610891 /nfs/dbraw/zinc/61/08/91/1038610891.db2.gz BHVXSIBENSTEJD-UHFFFAOYSA-N 1 1 301.434 3.501 20 30 DHEDMO C=CCCCC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001192471896 1038657409 /nfs/dbraw/zinc/65/74/09/1038657409.db2.gz RSHSOGRSIGWPIP-BBWFWOEESA-N 1 1 322.493 3.968 20 30 DHEDMO N#Cc1ccc(OCC[N@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000057621178 1038690951 /nfs/dbraw/zinc/69/09/51/1038690951.db2.gz RRVRVWZKTUKRNQ-UHFFFAOYSA-N 1 1 310.372 3.741 20 30 DHEDMO CCCCCCC[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CCC2)C1 ZINC001192949983 1038717059 /nfs/dbraw/zinc/71/70/59/1038717059.db2.gz VWMVVFFJGDBTDB-HOTGVXAUSA-N 1 1 309.498 3.661 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3CCC4(CCC4)CO3)CC2)cc1 ZINC001192947273 1038718141 /nfs/dbraw/zinc/71/81/41/1038718141.db2.gz NMMKAFSHJKQNPS-HXUWFJFHSA-N 1 1 322.452 3.997 20 30 DHEDMO C[C@@H](CCC#N)[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000591011874 1038744512 /nfs/dbraw/zinc/74/45/12/1038744512.db2.gz WECURNSCRRCCAM-LPEHRKFASA-N 1 1 302.262 3.741 20 30 DHEDMO C[C@@H](CCC#N)[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000591011874 1038744519 /nfs/dbraw/zinc/74/45/19/1038744519.db2.gz WECURNSCRRCCAM-LPEHRKFASA-N 1 1 302.262 3.741 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000057847898 1038755942 /nfs/dbraw/zinc/75/59/42/1038755942.db2.gz QXMXLBFUSOIFFO-UHFFFAOYSA-N 1 1 317.477 3.758 20 30 DHEDMO C[N@@H+](CCCCNc1nc(C(C)(C)C)ccc1C#N)C1CC1 ZINC000591166399 1038767185 /nfs/dbraw/zinc/76/71/85/1038767185.db2.gz OAFMPRNAVGUTGW-UHFFFAOYSA-N 1 1 300.450 3.537 20 30 DHEDMO CCC[N@@H+](CCOc1cccc(F)c1)Cc1ccc(C#N)cc1 ZINC000061001876 1038845768 /nfs/dbraw/zinc/84/57/68/1038845768.db2.gz YBOKMHMXUKOJRZ-UHFFFAOYSA-N 1 1 312.388 3.988 20 30 DHEDMO Cc1cc(C)c(Cn2cc(CC3(C#N)CCCCC3)nn2)c(C)[nH+]1 ZINC000603260729 1038879476 /nfs/dbraw/zinc/87/94/76/1038879476.db2.gz PCVPHNBJJSYLJG-UHFFFAOYSA-N 1 1 323.444 3.663 20 30 DHEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000591471337 1038880093 /nfs/dbraw/zinc/88/00/93/1038880093.db2.gz AKFBWIFEIIHLJX-MJGOQNOKSA-N 1 1 317.473 3.665 20 30 DHEDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000591475624 1038900663 /nfs/dbraw/zinc/90/06/63/1038900663.db2.gz YCMFZJRMHUPRNO-LJQANCHMSA-N 1 1 309.388 3.690 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000760884006 1038962141 /nfs/dbraw/zinc/96/21/41/1038962141.db2.gz HLYIHRXWCLGMAR-HSALFYBXSA-N 1 1 317.473 3.682 20 30 DHEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000573493635 1038978531 /nfs/dbraw/zinc/97/85/31/1038978531.db2.gz FCYPUCBPJDXEFO-KBXCAEBGSA-N 1 1 321.380 3.844 20 30 DHEDMO COc1ccc(C[N@H+](Cc2ccncc2C#N)[C@@H](C)C2CC2)cc1 ZINC000592063881 1039116156 /nfs/dbraw/zinc/11/61/56/1039116156.db2.gz LQMUMRTYAPYVGM-HNNXBMFYSA-N 1 1 321.424 3.763 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccncc2C#N)[C@@H](C)C2CC2)cc1 ZINC000592063881 1039116166 /nfs/dbraw/zinc/11/61/66/1039116166.db2.gz LQMUMRTYAPYVGM-HNNXBMFYSA-N 1 1 321.424 3.763 20 30 DHEDMO COc1cncc(/C=C/CC[N@@H+](CCC#N)CCC(C)C)c1 ZINC000592071156 1039117333 /nfs/dbraw/zinc/11/73/33/1039117333.db2.gz BLTCUFFDNPHVDR-QPJJXVBHSA-N 1 1 301.434 3.755 20 30 DHEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000592097226 1039120511 /nfs/dbraw/zinc/12/05/11/1039120511.db2.gz HMNMBTSRYOUISR-HNNXBMFYSA-N 1 1 309.388 3.862 20 30 DHEDMO Cn1cc(C[N@@H+](C)CCC(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000592144910 1039138225 /nfs/dbraw/zinc/13/82/25/1039138225.db2.gz KMZSOJCCBDQEDF-UHFFFAOYSA-N 1 1 310.445 3.827 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000592168629 1039139117 /nfs/dbraw/zinc/13/91/17/1039139117.db2.gz SXUSUJNBYOQLSS-RTBURBONSA-N 1 1 314.473 3.774 20 30 DHEDMO Cc1ccc(C[N@@H+](Cc2cccc(C#N)c2F)CC2CC2)cn1 ZINC000592145822 1039145188 /nfs/dbraw/zinc/14/51/88/1039145188.db2.gz COHFAEBXPFBXNK-UHFFFAOYSA-N 1 1 309.388 3.813 20 30 DHEDMO Cc1ccc(C[N@H+](Cc2cccc(C#N)c2F)CC2CC2)cn1 ZINC000592145822 1039145194 /nfs/dbraw/zinc/14/51/94/1039145194.db2.gz COHFAEBXPFBXNK-UHFFFAOYSA-N 1 1 309.388 3.813 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](CC)CCSC ZINC000592201857 1039148396 /nfs/dbraw/zinc/14/83/96/1039148396.db2.gz HQQJKHFMJNCCJO-UHFFFAOYSA-N 1 1 324.515 3.588 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](CC)CCSC ZINC000592201857 1039148401 /nfs/dbraw/zinc/14/84/01/1039148401.db2.gz HQQJKHFMJNCCJO-UHFFFAOYSA-N 1 1 324.515 3.588 20 30 DHEDMO COc1ccc([C@@H](C)[N@@H+](C)CCOc2cccc(C#N)c2)cc1 ZINC000603837321 1039176567 /nfs/dbraw/zinc/17/65/67/1039176567.db2.gz AJEZVMVNYIKLBT-OAHLLOKOSA-N 1 1 310.397 3.639 20 30 DHEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000592198810 1039181579 /nfs/dbraw/zinc/18/15/79/1039181579.db2.gz WAJJNBSFAGCBSC-OAHLLOKOSA-N 1 1 317.458 3.603 20 30 DHEDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000603855309 1039190291 /nfs/dbraw/zinc/19/02/91/1039190291.db2.gz UPSDRAULLUTKQO-ZDUSSCGKSA-N 1 1 316.351 3.908 20 30 DHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)CCC(C)C)c1 ZINC000603859481 1039192231 /nfs/dbraw/zinc/19/22/31/1039192231.db2.gz BIOHTKGGXXJHMX-UHFFFAOYSA-N 1 1 315.461 3.528 20 30 DHEDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)c1 ZINC000603867903 1039199859 /nfs/dbraw/zinc/19/98/59/1039199859.db2.gz BSFXKRHQIMCEAF-LJQANCHMSA-N 1 1 306.409 3.774 20 30 DHEDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)c1 ZINC000603868012 1039203734 /nfs/dbraw/zinc/20/37/34/1039203734.db2.gz ISTJRZDKRBLAGZ-LJQANCHMSA-N 1 1 306.409 3.774 20 30 DHEDMO COC(=O)[C@@]1([NH2+]CCCCC(C)(C)C#N)CCCC(C)(C)C1 ZINC000599558067 1039213172 /nfs/dbraw/zinc/21/31/72/1039213172.db2.gz JIIGUJKJOIRYCB-GOSISDBHSA-N 1 1 308.466 3.808 20 30 DHEDMO C[C@H](Cc1ccc(C(C)(C)C)cc1)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592522782 1039223372 /nfs/dbraw/zinc/22/33/72/1039223372.db2.gz RVIPSXAYMMAQHA-OXQOHEQNSA-N 1 1 314.473 3.513 20 30 DHEDMO N#CCSCCC[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000599615326 1039227476 /nfs/dbraw/zinc/22/74/76/1039227476.db2.gz SVXYFWIZOAVQJO-UHFFFAOYSA-N 1 1 314.376 3.710 20 30 DHEDMO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1Cc1ccncc1C#N ZINC000599624540 1039248486 /nfs/dbraw/zinc/24/84/86/1039248486.db2.gz YEIDTLOLXJJXRI-SFHVURJKSA-N 1 1 309.388 3.860 20 30 DHEDMO C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CC1(C#N)CC1 ZINC000599654376 1039257201 /nfs/dbraw/zinc/25/72/01/1039257201.db2.gz ZVPFLGVEQKETNY-JSGCOSHPSA-N 1 1 319.246 3.931 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)cc1F ZINC000599681205 1039268332 /nfs/dbraw/zinc/26/83/32/1039268332.db2.gz WZCHRMKXMWDWEW-ZDUSSCGKSA-N 1 1 316.401 3.757 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c(Cl)c1 ZINC000574196968 1039416529 /nfs/dbraw/zinc/41/65/29/1039416529.db2.gz NQQZROKQPOHCIF-DOTOQJQBSA-N 1 1 304.821 3.603 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(C)cc1 ZINC000604491867 1039485553 /nfs/dbraw/zinc/48/55/53/1039485553.db2.gz KPIHAPGSJGXOBQ-UHFFFAOYSA-N 1 1 321.424 3.717 20 30 DHEDMO CC[C@H](C#N)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000593397854 1039532383 /nfs/dbraw/zinc/53/23/83/1039532383.db2.gz OGPHCSHJQZTNSH-OAHLLOKOSA-N 1 1 313.445 3.939 20 30 DHEDMO CCCOc1cc(C[NH2+]CC2(C#N)CCCC2)ccc1OC ZINC000593650112 1039577764 /nfs/dbraw/zinc/57/77/64/1039577764.db2.gz QLNOQFSSGXGOPS-UHFFFAOYSA-N 1 1 302.418 3.658 20 30 DHEDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000593660894 1039582538 /nfs/dbraw/zinc/58/25/38/1039582538.db2.gz PLXWXCIUFYWRGH-KRWDZBQOSA-N 1 1 316.445 3.759 20 30 DHEDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000593662016 1039583992 /nfs/dbraw/zinc/58/39/92/1039583992.db2.gz WSNORXODEWXQSQ-MSOLQXFVSA-N 1 1 316.445 3.759 20 30 DHEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000593944154 1039631868 /nfs/dbraw/zinc/63/18/68/1039631868.db2.gz SXIKSWXJYWYSEQ-GFCCVEGCSA-N 1 1 324.306 3.839 20 30 DHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761038407 1039634645 /nfs/dbraw/zinc/63/46/45/1039634645.db2.gz ADEZGEAGTHYXLR-LLVKDONJSA-N 1 1 318.726 3.627 20 30 DHEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761038407 1039634657 /nfs/dbraw/zinc/63/46/57/1039634657.db2.gz ADEZGEAGTHYXLR-LLVKDONJSA-N 1 1 318.726 3.627 20 30 DHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761038408 1039636095 /nfs/dbraw/zinc/63/60/95/1039636095.db2.gz ADEZGEAGTHYXLR-NSHDSACASA-N 1 1 318.726 3.627 20 30 DHEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761038408 1039636104 /nfs/dbraw/zinc/63/61/04/1039636104.db2.gz ADEZGEAGTHYXLR-NSHDSACASA-N 1 1 318.726 3.627 20 30 DHEDMO C=CCCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000605150039 1039638897 /nfs/dbraw/zinc/63/88/97/1039638897.db2.gz HHWJVMBBAMXKMT-HNNXBMFYSA-N 1 1 310.235 3.789 20 30 DHEDMO C[C@H](CNc1cccc(F)c1C#N)[N@H+]1CCc2sccc2C1 ZINC000046479129 1039682110 /nfs/dbraw/zinc/68/21/10/1039682110.db2.gz CGZQAQBJJBIACW-GFCCVEGCSA-N 1 1 315.417 3.618 20 30 DHEDMO CC[C@H](C)[N@@H+](CCc1ccccc1F)Cc1nc(C#N)cs1 ZINC001307439561 1039691010 /nfs/dbraw/zinc/69/10/10/1039691010.db2.gz XRPWHJWBNGXGMP-ZDUSSCGKSA-N 1 1 317.433 3.997 20 30 DHEDMO C[NH+](C)CC1(CNCc2ccc(C(C)(C)C#N)cc2)CCCC1 ZINC000594498777 1039799476 /nfs/dbraw/zinc/79/94/76/1039799476.db2.gz AEZHIGFLUJOIBF-UHFFFAOYSA-N 1 1 313.489 3.699 20 30 DHEDMO CN(C)CC1(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCCC1 ZINC000594498777 1039799494 /nfs/dbraw/zinc/79/94/94/1039799494.db2.gz AEZHIGFLUJOIBF-UHFFFAOYSA-N 1 1 313.489 3.699 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000606435153 1039877481 /nfs/dbraw/zinc/87/74/81/1039877481.db2.gz LFZMYLHQBVSXNK-MSOLQXFVSA-N 1 1 314.473 3.597 20 30 DHEDMO C[C@@]1(Cc2ccccc2F)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000594015299 1039941778 /nfs/dbraw/zinc/94/17/78/1039941778.db2.gz IHNWDYXEBVSXJP-IBGZPJMESA-N 1 1 309.388 3.690 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)nc1 ZINC000594016570 1039943910 /nfs/dbraw/zinc/94/39/10/1039943910.db2.gz ZOWGQWXPBHEQAD-LJQANCHMSA-N 1 1 301.393 3.847 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)nc1 ZINC000594016570 1039943928 /nfs/dbraw/zinc/94/39/28/1039943928.db2.gz ZOWGQWXPBHEQAD-LJQANCHMSA-N 1 1 301.393 3.847 20 30 DHEDMO COc1ccc(C[NH2+]CC2(C#N)CCCCC2)c(OC(F)F)c1 ZINC000594980796 1039992968 /nfs/dbraw/zinc/99/29/68/1039992968.db2.gz BAHPWCGGCXCVIG-UHFFFAOYSA-N 1 1 324.371 3.860 20 30 DHEDMO COc1cc2c(cc1C[NH2+]CC1(C#N)CCCCC1)O[C@@H](C)C2 ZINC000594993248 1040010607 /nfs/dbraw/zinc/01/06/07/1040010607.db2.gz CHHCXWBLRJKTOD-AWEZNQCLSA-N 1 1 314.429 3.582 20 30 DHEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2cccs2)CCCCC1 ZINC000594993813 1040010803 /nfs/dbraw/zinc/01/08/03/1040010803.db2.gz HBWOVHIJMDCWFN-UHFFFAOYSA-N 1 1 300.431 3.702 20 30 DHEDMO C=CCOc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1OC ZINC000594993820 1040012281 /nfs/dbraw/zinc/01/22/81/1040012281.db2.gz HFAJMWMNWZWPEP-UHFFFAOYSA-N 1 1 314.429 3.824 20 30 DHEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000594052425 1040021141 /nfs/dbraw/zinc/02/11/41/1040021141.db2.gz HJJSTEDEYHXCQM-HNNXBMFYSA-N 1 1 317.458 3.603 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172800714 1040058742 /nfs/dbraw/zinc/05/87/42/1040058742.db2.gz UNZGMZKEVACVDR-HNNXBMFYSA-N 1 1 323.481 3.505 20 30 DHEDMO COC(=O)c1csc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)c1 ZINC000595090505 1040075403 /nfs/dbraw/zinc/07/54/03/1040075403.db2.gz GUKOZLACUAQXOZ-GFCCVEGCSA-N 1 1 306.431 3.659 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)c1=S ZINC000172918722 1040118733 /nfs/dbraw/zinc/11/87/33/1040118733.db2.gz OWNPLATWOPOCKW-KBPBESRZSA-N 1 1 320.506 3.945 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)c1=S ZINC000172918722 1040118743 /nfs/dbraw/zinc/11/87/43/1040118743.db2.gz OWNPLATWOPOCKW-KBPBESRZSA-N 1 1 320.506 3.945 20 30 DHEDMO Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616724 1040192073 /nfs/dbraw/zinc/19/20/73/1040192073.db2.gz WCEKKWNXJRXHNR-CYBMUJFWSA-N 1 1 301.415 3.837 20 30 DHEDMO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616724 1040192077 /nfs/dbraw/zinc/19/20/77/1040192077.db2.gz WCEKKWNXJRXHNR-CYBMUJFWSA-N 1 1 301.415 3.837 20 30 DHEDMO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616475 1040192614 /nfs/dbraw/zinc/19/26/14/1040192614.db2.gz QVVMMHRXSJWHJJ-UONOGXRCSA-N 1 1 319.836 3.601 20 30 DHEDMO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616475 1040192620 /nfs/dbraw/zinc/19/26/20/1040192620.db2.gz QVVMMHRXSJWHJJ-UONOGXRCSA-N 1 1 319.836 3.601 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000595614300 1040209090 /nfs/dbraw/zinc/20/90/90/1040209090.db2.gz KAQDDVIUHWICEL-CYBMUJFWSA-N 1 1 312.335 3.753 20 30 DHEDMO N#CCSCCC[N@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000595656821 1040216838 /nfs/dbraw/zinc/21/68/38/1040216838.db2.gz FYYDDSRCXIGVDH-UHFFFAOYSA-N 1 1 315.269 3.998 20 30 DHEDMO N#CCSCCC[N@@H+]1CCc2ccc(Cl)c(Cl)c2C1 ZINC000595656821 1040216847 /nfs/dbraw/zinc/21/68/47/1040216847.db2.gz FYYDDSRCXIGVDH-UHFFFAOYSA-N 1 1 315.269 3.998 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595788359 1040254815 /nfs/dbraw/zinc/25/48/15/1040254815.db2.gz MPCUERLZULGYGC-YJBOKZPZSA-N 1 1 318.848 3.993 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595788359 1040254834 /nfs/dbraw/zinc/25/48/34/1040254834.db2.gz MPCUERLZULGYGC-YJBOKZPZSA-N 1 1 318.848 3.993 20 30 DHEDMO CC[C@H](c1ccccc1)[N@@H+](CC(=O)N(CC)CCC#N)C(C)C ZINC000595855842 1040262011 /nfs/dbraw/zinc/26/20/11/1040262011.db2.gz FPNUXFSDXIZNAT-GOSISDBHSA-N 1 1 315.461 3.610 20 30 DHEDMO CC[N@@H+](CCOc1ccccc1OC)Cc1ccc(CC#N)cc1 ZINC000595885458 1040270921 /nfs/dbraw/zinc/27/09/21/1040270921.db2.gz JTMMXPPPLULOQH-UHFFFAOYSA-N 1 1 324.424 3.662 20 30 DHEDMO N#Cc1ccc(OCC[N@H+]2CC3CC2(c2ccccc2)C3)cc1 ZINC000595911677 1040276259 /nfs/dbraw/zinc/27/62/59/1040276259.db2.gz RFGXWZMULICBFG-UHFFFAOYSA-N 1 1 304.393 3.558 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@@](C)(C(F)F)O1 ZINC000595918956 1040282355 /nfs/dbraw/zinc/28/23/55/1040282355.db2.gz PGLIYMACBFWTOY-ACJLOTCBSA-N 1 1 322.399 3.732 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@](C)(C(F)F)O1 ZINC000595918956 1040282368 /nfs/dbraw/zinc/28/23/68/1040282368.db2.gz PGLIYMACBFWTOY-ACJLOTCBSA-N 1 1 322.399 3.732 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H](COC)c2ccc(CC)o2)cc1 ZINC000608060596 1040359034 /nfs/dbraw/zinc/35/90/34/1040359034.db2.gz MADARCKXLFZNBH-SFHVURJKSA-N 1 1 315.413 3.884 20 30 DHEDMO CC(C)[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1 ZINC000063750629 1040488321 /nfs/dbraw/zinc/48/83/21/1040488321.db2.gz NLBHAOSUVNILCU-UHFFFAOYSA-N 1 1 315.398 3.939 20 30 DHEDMO CC(C)[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1 ZINC000063750629 1040488325 /nfs/dbraw/zinc/48/83/25/1040488325.db2.gz NLBHAOSUVNILCU-UHFFFAOYSA-N 1 1 315.398 3.939 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598930 1040509462 /nfs/dbraw/zinc/50/94/62/1040509462.db2.gz OJXHBZUKJGFFQO-UHFFFAOYSA-N 1 1 322.456 3.795 20 30 DHEDMO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000596979784 1040615039 /nfs/dbraw/zinc/61/50/39/1040615039.db2.gz OQZUIDGYOGVTRP-UHFFFAOYSA-N 1 1 321.380 3.782 20 30 DHEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000596979784 1040615050 /nfs/dbraw/zinc/61/50/50/1040615050.db2.gz OQZUIDGYOGVTRP-UHFFFAOYSA-N 1 1 321.380 3.782 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCO[C@@H](c4ccsc4)C3)cc2)CC1 ZINC000597021777 1040630075 /nfs/dbraw/zinc/63/00/75/1040630075.db2.gz RUXCTVKQKSBVKM-GOSISDBHSA-N 1 1 324.449 3.877 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCO[C@@H](c4ccsc4)C3)cc2)CC1 ZINC000597021777 1040630090 /nfs/dbraw/zinc/63/00/90/1040630090.db2.gz RUXCTVKQKSBVKM-GOSISDBHSA-N 1 1 324.449 3.877 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccc2c(c1)OCCO2 ZINC000063995156 1040638622 /nfs/dbraw/zinc/63/86/22/1040638622.db2.gz KUKFKXDPIQQKJR-UHFFFAOYSA-N 1 1 309.409 3.689 20 30 DHEDMO COc1ccc(C[NH2+]Cc2coc(-c3ccccc3)n2)cc1C#N ZINC000174474966 1040646088 /nfs/dbraw/zinc/64/60/88/1040646088.db2.gz LBMLQWLASVAPQG-UHFFFAOYSA-N 1 1 319.364 3.512 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@H](Cc4ccncc4)C3)cc2)CC1 ZINC000597081421 1040647401 /nfs/dbraw/zinc/64/74/01/1040647401.db2.gz HCUJHHYCJILLGI-IBGZPJMESA-N 1 1 317.436 3.701 20 30 DHEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597130216 1040658230 /nfs/dbraw/zinc/65/82/30/1040658230.db2.gz SUCYNHFLNJJPGZ-QFBILLFUSA-N 1 1 312.457 3.757 20 30 DHEDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597131090 1040659805 /nfs/dbraw/zinc/65/98/05/1040659805.db2.gz WIQNWMQUCGXHHZ-INIZCTEOSA-N 1 1 300.471 3.817 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCOC[C@H]3CC3CCC3)cc2)CC1 ZINC000597136467 1040662127 /nfs/dbraw/zinc/66/21/27/1040662127.db2.gz XTEQPLDAMYYLOI-LJQANCHMSA-N 1 1 310.441 3.633 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ncc(C)c(OC)c1C ZINC000608990910 1040663495 /nfs/dbraw/zinc/66/34/95/1040663495.db2.gz BWKZEIVGJLYWCW-UHFFFAOYSA-N 1 1 323.440 3.991 20 30 DHEDMO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597175817 1040675939 /nfs/dbraw/zinc/67/59/39/1040675939.db2.gz FBHQDHJKAMOHGM-MRXNPFEDSA-N 1 1 321.424 3.883 20 30 DHEDMO Cc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(-c2cnn(C)c2)c1 ZINC000597176130 1040678441 /nfs/dbraw/zinc/67/84/41/1040678441.db2.gz FRXSHSWSOOQFHU-INIZCTEOSA-N 1 1 308.429 3.521 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H](CCc1ccccc1)c1ccccn1 ZINC000601967086 1040846096 /nfs/dbraw/zinc/84/60/96/1040846096.db2.gz HSQMVPVXLWXGTK-ICSRJNTNSA-N 1 1 318.424 3.789 20 30 DHEDMO CC[C@@H](C(=O)Nc1cccc(CC#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000456746152 1040894997 /nfs/dbraw/zinc/89/49/97/1040894997.db2.gz HTHIQJHYUODYBT-IBGZPJMESA-N 1 1 321.424 3.602 20 30 DHEDMO CCC[N@@H+](C[C@@H](C)CCC#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000602454429 1041028087 /nfs/dbraw/zinc/02/80/87/1041028087.db2.gz SRKOMLWSFBAWOY-JKSUJKDBSA-N 1 1 301.434 3.665 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000602432839 1041032568 /nfs/dbraw/zinc/03/25/68/1041032568.db2.gz JENBNRRJUGAUCD-GDBMZVCRSA-N 1 1 300.402 3.535 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2C[C@H](C)CCC#N)cc1OC ZINC000602436498 1041033773 /nfs/dbraw/zinc/03/37/73/1041033773.db2.gz OWHVYQQSAWZDMI-GDBMZVCRSA-N 1 1 302.418 3.781 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000602432845 1041034455 /nfs/dbraw/zinc/03/44/55/1041034455.db2.gz JENBNRRJUGAUCD-ZBFHGGJFSA-N 1 1 300.402 3.535 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000602441515 1041037401 /nfs/dbraw/zinc/03/74/01/1041037401.db2.gz NZPZNFDPJCJIAY-GFCCVEGCSA-N 1 1 300.324 3.957 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000602474833 1041041587 /nfs/dbraw/zinc/04/15/87/1041041587.db2.gz NZVVLKZRAJBQSP-WSTZPKSXSA-N 1 1 313.489 3.911 20 30 DHEDMO COc1ccc(C[C@@H]2CCC[N@@H+](C[C@H](C)CCC#N)C2)cc1 ZINC000602470187 1041046702 /nfs/dbraw/zinc/04/67/02/1041046702.db2.gz XZPUDNYHMQLMCY-AEFFLSMTSA-N 1 1 300.446 3.890 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NCc2cccc(C#N)n2)cc1 ZINC000602482509 1041053191 /nfs/dbraw/zinc/05/31/91/1041053191.db2.gz CWVFXTCRQMAEEH-INIZCTEOSA-N 1 1 320.440 3.940 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)n1 ZINC000602484980 1041054935 /nfs/dbraw/zinc/05/49/35/1041054935.db2.gz LINBJZXBUCZUDY-HNNXBMFYSA-N 1 1 309.438 3.567 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000602488026 1041057592 /nfs/dbraw/zinc/05/75/92/1041057592.db2.gz YNCMYQDGCYTSEQ-LPEHRKFASA-N 1 1 302.262 3.599 20 30 DHEDMO N#Cc1cccc(C[NH2+]Cc2ccccc2OC2CCCC2)n1 ZINC000602518987 1041066293 /nfs/dbraw/zinc/06/62/93/1041066293.db2.gz CESJHTQYUMVLLN-UHFFFAOYSA-N 1 1 307.397 3.564 20 30 DHEDMO CC[C@H](C)Oc1cc(C)ccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602568877 1041099372 /nfs/dbraw/zinc/09/93/72/1041099372.db2.gz OVIXIPCROFYELZ-HNNXBMFYSA-N 1 1 309.413 3.729 20 30 DHEDMO CC(C)([NH2+]Cc1cccc(C#N)n1)c1cccc(Cl)c1F ZINC000602617350 1041119097 /nfs/dbraw/zinc/11/90/97/1041119097.db2.gz CZSHOODTTDMEJN-UHFFFAOYSA-N 1 1 303.768 3.771 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000602649142 1041131979 /nfs/dbraw/zinc/13/19/79/1041131979.db2.gz HMNYXGJXJHRJHT-CYBMUJFWSA-N 1 1 314.351 3.999 20 30 DHEDMO C[C@H](CCC#N)CNc1ccc(C[NH+](C)C)c(Br)c1 ZINC000602627011 1041137424 /nfs/dbraw/zinc/13/74/24/1041137424.db2.gz OMROYVURMGGNGC-GFCCVEGCSA-N 1 1 324.266 3.862 20 30 DHEDMO N#Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)n1 ZINC000602661730 1041147311 /nfs/dbraw/zinc/14/73/11/1041147311.db2.gz KUGIFSVAQRITFV-XUVXKRRUSA-N 1 1 303.409 3.721 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000602662918 1041147988 /nfs/dbraw/zinc/14/79/88/1041147988.db2.gz OADLYANOBVUICK-RDJZCZTQSA-N 1 1 323.444 3.591 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000602688834 1041152713 /nfs/dbraw/zinc/15/27/13/1041152713.db2.gz AXMFZAMYJHMNBU-DOMZBBRYSA-N 1 1 322.250 3.921 20 30 DHEDMO CC(C)(CC#N)C[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000602691259 1041155073 /nfs/dbraw/zinc/15/50/73/1041155073.db2.gz PXBOGPCNPZMWFX-UHFFFAOYSA-N 1 1 322.206 3.620 20 30 DHEDMO N#Cc1cccc(C[NH+]2CC(c3cccc(C(F)(F)F)c3)C2)n1 ZINC000602683239 1041161546 /nfs/dbraw/zinc/16/15/46/1041161546.db2.gz UFUISKAYTLHVQM-UHFFFAOYSA-N 1 1 317.314 3.571 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602683481 1041162328 /nfs/dbraw/zinc/16/23/28/1041162328.db2.gz BWKRFHPBGCQKPI-GOEBONIOSA-N 1 1 301.390 3.714 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602683482 1041162536 /nfs/dbraw/zinc/16/25/36/1041162536.db2.gz BWKRFHPBGCQKPI-HOCLYGCPSA-N 1 1 301.390 3.714 20 30 DHEDMO N#CCC1(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CC1 ZINC000602767472 1041214432 /nfs/dbraw/zinc/21/44/32/1041214432.db2.gz WHWGXAJVAMOVQW-QGZVFWFLSA-N 1 1 302.393 3.501 20 30 DHEDMO N#CCC1(C[N@@H+]2CC[C@H](c3cccc(Br)c3)C2)CC1 ZINC000602838288 1041253670 /nfs/dbraw/zinc/25/36/70/1041253670.db2.gz BCTIXPUJMTXUNS-AWEZNQCLSA-N 1 1 319.246 3.932 20 30 DHEDMO N#CCC1(C[N@@H+]2CCc3nc(-c4ccccc4)sc3C2)CC1 ZINC000602882355 1041286675 /nfs/dbraw/zinc/28/66/75/1041286675.db2.gz BXRQOZWJGJWRJT-UHFFFAOYSA-N 1 1 309.438 3.862 20 30 DHEDMO N#CCC1(C[N@H+]2CCc3nc(-c4ccccc4)sc3C2)CC1 ZINC000602882355 1041286703 /nfs/dbraw/zinc/28/67/03/1041286703.db2.gz BXRQOZWJGJWRJT-UHFFFAOYSA-N 1 1 309.438 3.862 20 30 DHEDMO N#Cc1ccc(C2CC[NH+](Cc3cc(F)ccc3F)CC2)nc1 ZINC000602908629 1041294177 /nfs/dbraw/zinc/29/41/77/1041294177.db2.gz DZCZTOLTFXSVPS-UHFFFAOYSA-N 1 1 313.351 3.611 20 30 DHEDMO N#Cc1ccc(C2CC[NH+](Cc3ccc(F)cc3F)CC2)nc1 ZINC000602905798 1041301715 /nfs/dbraw/zinc/30/17/15/1041301715.db2.gz CVIUKVYZDNQSMK-UHFFFAOYSA-N 1 1 313.351 3.611 20 30 DHEDMO C[N@H+](Cc1cccc(OCc2ccccn2)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602982616 1041330183 /nfs/dbraw/zinc/33/01/83/1041330183.db2.gz VKCYFLIYHJYSLC-YLJYHZDGSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@@H+](Cc1cccc(OCc2ccccn2)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602982616 1041330190 /nfs/dbraw/zinc/33/01/90/1041330190.db2.gz VKCYFLIYHJYSLC-YLJYHZDGSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@H+](Cc1cccc(Cl)c1Cl)C[C@@H](O)CC(C)(C)C#N ZINC000598584424 1041347879 /nfs/dbraw/zinc/34/78/79/1041347879.db2.gz LVBADTPEBMLVNQ-LBPRGKRZSA-N 1 1 315.244 3.726 20 30 DHEDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598590175 1041350039 /nfs/dbraw/zinc/35/00/39/1041350039.db2.gz LNEFKHUKZJPTCM-QRVBRYPASA-N 1 1 314.473 3.945 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000598590266 1041351079 /nfs/dbraw/zinc/35/10/79/1041351079.db2.gz UHUSRDITEOZLHS-QGZVFWFLSA-N 1 1 312.413 3.583 20 30 DHEDMO CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H]1CCc2ccccc21 ZINC000598587605 1041351628 /nfs/dbraw/zinc/35/16/28/1041351628.db2.gz SMEPAAULICNXNH-SJLPKXTDSA-N 1 1 300.446 3.687 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cc3cnccc3o2)C2CC2)cc1 ZINC000593569138 1041352150 /nfs/dbraw/zinc/35/21/50/1041352150.db2.gz ZJFZCXSBGHDQIT-UHFFFAOYSA-N 1 1 303.365 3.864 20 30 DHEDMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598593820 1041354453 /nfs/dbraw/zinc/35/44/53/1041354453.db2.gz WXDKZHICUFMYNX-WMZOPIPTSA-N 1 1 300.446 3.741 20 30 DHEDMO C[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H]1c1cccc(F)c1 ZINC000598594250 1041355285 /nfs/dbraw/zinc/35/52/85/1041355285.db2.gz FEIVEFUREMIXAK-KBRIMQKVSA-N 1 1 304.409 3.509 20 30 DHEDMO C[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H]1CCC[C@H]1c1ccccc1 ZINC000598620297 1041361998 /nfs/dbraw/zinc/36/19/98/1041361998.db2.gz ANCRWLPWXUKTOK-SQNIBIBYSA-N 1 1 300.446 3.555 20 30 DHEDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598617634 1041362599 /nfs/dbraw/zinc/36/25/99/1041362599.db2.gz UJQHKOMWUSYUHE-NXHRZFHOSA-N 1 1 300.446 3.760 20 30 DHEDMO Cc1c2cccc(C)c2oc1C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598624245 1041364142 /nfs/dbraw/zinc/36/41/42/1041364142.db2.gz XOYVUQFLOVEATD-HNNXBMFYSA-N 1 1 314.429 3.782 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000598621284 1041364284 /nfs/dbraw/zinc/36/42/84/1041364284.db2.gz JGNIVAVDIPGPLO-MSOLQXFVSA-N 1 1 312.457 3.557 20 30 DHEDMO C[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000598621304 1041364429 /nfs/dbraw/zinc/36/44/29/1041364429.db2.gz JOAXIMBYNIYOMN-GUDVDZBRSA-N 1 1 314.473 3.945 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000598626202 1041366592 /nfs/dbraw/zinc/36/65/92/1041366592.db2.gz UMFMPFXZCSAZHU-IEBWSBKVSA-N 1 1 318.436 3.523 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)o1)Cc1cc(Br)cs1 ZINC000091887959 193122004 /nfs/dbraw/zinc/12/20/04/193122004.db2.gz ZUVYAZYZEOXNBO-UHFFFAOYSA-N 1 1 311.204 3.607 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)o1)Cc1cc(Br)cs1 ZINC000091887959 193122005 /nfs/dbraw/zinc/12/20/05/193122005.db2.gz ZUVYAZYZEOXNBO-UHFFFAOYSA-N 1 1 311.204 3.607 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284510662 335012998 /nfs/dbraw/zinc/01/29/98/335012998.db2.gz YIXWOFCYAABERF-UHFFFAOYSA-N 1 1 311.429 3.629 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000016339588 182040991 /nfs/dbraw/zinc/04/09/91/182040991.db2.gz CZWZUQSYCALRGH-GOSISDBHSA-N 1 1 320.392 3.667 20 30 DHEDMO Cc1csc([C@@H]([NH2+]CC#Cc2ccc(F)cc2)C2CC2)n1 ZINC000183495234 335031592 /nfs/dbraw/zinc/03/15/92/335031592.db2.gz YWNLLCYTVNGGLF-INIZCTEOSA-N 1 1 300.402 3.683 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1cc(Br)cs1 ZINC000043687126 183380367 /nfs/dbraw/zinc/38/03/67/183380367.db2.gz ARPWUSCHLIBFSO-UHFFFAOYSA-N 1 1 301.253 3.882 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1cc(Br)cs1 ZINC000043687126 183380369 /nfs/dbraw/zinc/38/03/69/183380369.db2.gz ARPWUSCHLIBFSO-UHFFFAOYSA-N 1 1 301.253 3.882 20 30 DHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000340190977 131075554 /nfs/dbraw/zinc/07/55/54/131075554.db2.gz NFYAEZKEMCWVKF-CQSZACIVSA-N 1 1 311.429 3.563 20 30 DHEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000340190977 131075555 /nfs/dbraw/zinc/07/55/55/131075555.db2.gz NFYAEZKEMCWVKF-CQSZACIVSA-N 1 1 311.429 3.563 20 30 DHEDMO COc1ccc([C@H](C[NH+](C)C)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000284454521 131082495 /nfs/dbraw/zinc/08/24/95/131082495.db2.gz UPSOBKNLBVXQKX-YWZLYKJASA-N 1 1 323.440 3.520 20 30 DHEDMO C[C@@]12CC[N@H+](Cc3cc(C#N)ccc3F)C[C@@H]1C2(Cl)Cl ZINC000284805826 131112264 /nfs/dbraw/zinc/11/22/64/131112264.db2.gz OXIZRIQLRDWRCH-UONOGXRCSA-N 1 1 313.203 3.713 20 30 DHEDMO C[C@@]12CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@@H]1C2(Cl)Cl ZINC000284805826 131112266 /nfs/dbraw/zinc/11/22/66/131112266.db2.gz OXIZRIQLRDWRCH-UONOGXRCSA-N 1 1 313.203 3.713 20 30 DHEDMO C[C@@]12CC[N@H+](Cc3ccc(C#N)cc3F)C[C@@H]1C2(Cl)Cl ZINC000284879441 131117950 /nfs/dbraw/zinc/11/79/50/131117950.db2.gz SXMMANCFCPWMTJ-UONOGXRCSA-N 1 1 313.203 3.713 20 30 DHEDMO C[C@@]12CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@@H]1C2(Cl)Cl ZINC000284879441 131117951 /nfs/dbraw/zinc/11/79/51/131117951.db2.gz SXMMANCFCPWMTJ-UONOGXRCSA-N 1 1 313.203 3.713 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285387739 131163252 /nfs/dbraw/zinc/16/32/52/131163252.db2.gz SCEXSTRLRCPQTM-CQSZACIVSA-N 1 1 309.369 3.702 20 30 DHEDMO C[C@@H](N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000286851037 131252214 /nfs/dbraw/zinc/25/22/14/131252214.db2.gz ALKVTRBNINXSNQ-AUUYWEPGSA-N 1 1 311.404 3.651 20 30 DHEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C#N)c(C)c1OC ZINC000286971501 131257811 /nfs/dbraw/zinc/25/78/11/131257811.db2.gz OBTVIEVZVQPDBT-CQSZACIVSA-N 1 1 310.397 3.735 20 30 DHEDMO C[C@@H](N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000287019465 131259989 /nfs/dbraw/zinc/25/99/89/131259989.db2.gz LBJUYMVISYRACE-KUHUBIRLSA-N 1 1 311.404 3.651 20 30 DHEDMO Cc1ccccc1[C@H](C)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000298957029 132084273 /nfs/dbraw/zinc/08/42/73/132084273.db2.gz GEAHVRDEGZMWSD-ZDUSSCGKSA-N 1 1 313.426 3.560 20 30 DHEDMO Cc1ccccc1[C@H](C)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000298957029 132084275 /nfs/dbraw/zinc/08/42/75/132084275.db2.gz GEAHVRDEGZMWSD-ZDUSSCGKSA-N 1 1 313.426 3.560 20 30 DHEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000120889306 132147356 /nfs/dbraw/zinc/14/73/56/132147356.db2.gz HHKNUEXGYAWEKM-GOEBONIOSA-N 1 1 317.433 3.607 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H](CCO)c2ccco2)cc1Cl ZINC000184500026 335075434 /nfs/dbraw/zinc/07/54/34/335075434.db2.gz YSJBCTKUDNHQLK-OAHLLOKOSA-N 1 1 321.804 3.711 20 30 DHEDMO COc1ccc(OC)c(C[N@H+](CC2(C#N)CC2)C(C)(C)C)c1 ZINC000343324322 335086253 /nfs/dbraw/zinc/08/62/53/335086253.db2.gz WYEAWTUVTFLHHP-UHFFFAOYSA-N 1 1 302.418 3.608 20 30 DHEDMO COc1ccc(OC)c(C[N@@H+](CC2(C#N)CC2)C(C)(C)C)c1 ZINC000343324322 335086255 /nfs/dbraw/zinc/08/62/55/335086255.db2.gz WYEAWTUVTFLHHP-UHFFFAOYSA-N 1 1 302.418 3.608 20 30 DHEDMO C[C@@H](CNc1cc(C#N)c2ccccc2n1)[N@H+]1CCC[C@@H](C)C1 ZINC000524053054 434968935 /nfs/dbraw/zinc/96/89/35/434968935.db2.gz IKKBPNDOJMOKPX-CABCVRRESA-N 1 1 308.429 3.639 20 30 DHEDMO C=CCNc1nnc(SCc2c(C)cc(C)[nH+]c2C)s1 ZINC000630997468 435400079 /nfs/dbraw/zinc/40/00/79/435400079.db2.gz KBVSYZPKQAVFJB-UHFFFAOYSA-N 1 1 306.460 3.749 20 30 DHEDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000480516035 435381669 /nfs/dbraw/zinc/38/16/69/435381669.db2.gz SIXIJIPPJSBYAJ-ZDUSSCGKSA-N 1 1 306.841 3.673 20 30 DHEDMO C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CCC#N ZINC000517557152 331706755 /nfs/dbraw/zinc/70/67/55/331706755.db2.gz YWAWQXZAFRLLEB-ZANVPECISA-N 1 1 311.248 3.735 20 30 DHEDMO CCCCC(N)=[NH+]OCC(=O)Nc1c(C)cccc1C(C)C ZINC000063460176 331824295 /nfs/dbraw/zinc/82/42/95/331824295.db2.gz NHNCVMXQJDHPRD-UHFFFAOYSA-N 1 1 305.422 3.536 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000558506891 331914995 /nfs/dbraw/zinc/91/49/95/331914995.db2.gz UCUNIMDAEHLSDT-KRWDZBQOSA-N 1 1 311.429 3.931 20 30 DHEDMO C=CCN(CCc1ccccc1)C(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000559270412 332010506 /nfs/dbraw/zinc/01/05/06/332010506.db2.gz OUZKWSRNMMFQMK-GOSISDBHSA-N 1 1 314.473 3.508 20 30 DHEDMO N#CCCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000088604602 332055114 /nfs/dbraw/zinc/05/51/14/332055114.db2.gz IJPUHHRKQDPBGK-INIZCTEOSA-N 1 1 300.427 3.587 20 30 DHEDMO C[C@H](Cc1ccsc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000569507297 332112787 /nfs/dbraw/zinc/11/27/87/332112787.db2.gz DFQPIJUGILOOPU-OAHLLOKOSA-N 1 1 314.454 3.699 20 30 DHEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2c2cccc3ccccc32)C1=O ZINC000410343899 332113594 /nfs/dbraw/zinc/11/35/94/332113594.db2.gz TXUPGODXCNVJAJ-UXHICEINSA-N 1 1 320.436 3.764 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H](CC)c2ccc(Cl)cc2)C1=O ZINC000410335228 332113980 /nfs/dbraw/zinc/11/39/80/332113980.db2.gz NIDPDRRLASWQNX-HZPDHXFCSA-N 1 1 306.837 3.510 20 30 DHEDMO COc1ccc(C[N@@H+](C)CCC2CC2)cc1OCCCC#N ZINC000092067213 332118738 /nfs/dbraw/zinc/11/87/38/332118738.db2.gz DIJINLHHGNKQCB-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO Cc1nnc([C@H]2Cc3ccccc3C[N@@H+]2CC(C)(C)CCC#N)o1 ZINC000092356124 332125028 /nfs/dbraw/zinc/12/50/28/332125028.db2.gz FPRYPWFIKPYSBH-QGZVFWFLSA-N 1 1 324.428 3.807 20 30 DHEDMO Cc1nnc([C@H]2Cc3ccccc3C[N@H+]2CC(C)(C)CCC#N)o1 ZINC000092356124 332125030 /nfs/dbraw/zinc/12/50/30/332125030.db2.gz FPRYPWFIKPYSBH-QGZVFWFLSA-N 1 1 324.428 3.807 20 30 DHEDMO COc1ccc(C[N@H+]2CCC3(CCC3)C2)cc1OCCCC#N ZINC000093455980 332138932 /nfs/dbraw/zinc/13/89/32/332138932.db2.gz ZXPOKLAYZYGLRG-UHFFFAOYSA-N 1 1 314.429 3.754 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@@H+](C)CCc2cccs2)cc1 ZINC000093685509 332141613 /nfs/dbraw/zinc/14/16/13/332141613.db2.gz VUNQAJVWFYJVLD-UHFFFAOYSA-N 1 1 313.470 3.772 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000428240556 332156471 /nfs/dbraw/zinc/15/64/71/332156471.db2.gz SLIMDQNOFKQEOO-QGZVFWFLSA-N 1 1 324.399 3.736 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000428240556 332156474 /nfs/dbraw/zinc/15/64/74/332156474.db2.gz SLIMDQNOFKQEOO-QGZVFWFLSA-N 1 1 324.399 3.736 20 30 DHEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000181263004 332188439 /nfs/dbraw/zinc/18/84/39/332188439.db2.gz CKGAYNWYFKYUGP-LLVKDONJSA-N 1 1 300.324 3.540 20 30 DHEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000181263004 332188440 /nfs/dbraw/zinc/18/84/40/332188440.db2.gz CKGAYNWYFKYUGP-LLVKDONJSA-N 1 1 300.324 3.540 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000119928056 332325810 /nfs/dbraw/zinc/32/58/10/332325810.db2.gz MXKIUOHDMMWRLI-UHFFFAOYSA-N 1 1 324.453 3.825 20 30 DHEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(OC)cc2F)CC1 ZINC000152947551 332332606 /nfs/dbraw/zinc/33/26/06/332332606.db2.gz PODSGDYFFPXVLW-AWEZNQCLSA-N 1 1 306.425 3.525 20 30 DHEDMO C[N@@H+](CC(C)(C)CCC#N)C1CCN(Cc2ccccc2)CC1 ZINC000119334503 332369856 /nfs/dbraw/zinc/36/98/56/332369856.db2.gz HLSWTDJCDJBPHW-UHFFFAOYSA-N 1 1 313.489 3.913 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2CCC(C)(C)C#N)cc1OC ZINC000119865024 332379398 /nfs/dbraw/zinc/37/93/98/332379398.db2.gz ZOQBIAFCSQHAAB-OAHLLOKOSA-N 1 1 302.418 3.781 20 30 DHEDMO COc1c(C)cc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1C ZINC000092787042 332388149 /nfs/dbraw/zinc/38/81/49/332388149.db2.gz XFGCVLVOPVMWQH-UHFFFAOYSA-N 1 1 300.427 3.877 20 30 DHEDMO C=CCOCC[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000571064702 332395599 /nfs/dbraw/zinc/39/55/99/332395599.db2.gz WRAMNDCNTQKFMA-OAHLLOKOSA-N 1 1 317.326 3.779 20 30 DHEDMO C=CCOCC[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000571064702 332395600 /nfs/dbraw/zinc/39/56/00/332395600.db2.gz WRAMNDCNTQKFMA-OAHLLOKOSA-N 1 1 317.326 3.779 20 30 DHEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000126003003 332454211 /nfs/dbraw/zinc/45/42/11/332454211.db2.gz YESOMLBZRVFHCZ-NWDGAFQWSA-N 1 1 311.307 3.679 20 30 DHEDMO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)ccc1C#N ZINC000443985661 332647715 /nfs/dbraw/zinc/64/77/15/332647715.db2.gz IAECYSGSFQTKPQ-UHFFFAOYSA-N 1 1 315.760 3.718 20 30 DHEDMO CCOc1ccc(C[N@H+](CCC#N)CC2CC2)cc1OCC ZINC000177029104 333123887 /nfs/dbraw/zinc/12/38/87/333123887.db2.gz IPHISHNQEUMYNL-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO CCOc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1OCC ZINC000177029104 333123889 /nfs/dbraw/zinc/12/38/89/333123889.db2.gz IPHISHNQEUMYNL-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO CC(C)CCC(N)=[NH+]OCc1nnc(-c2ccccc2Cl)o1 ZINC000178412742 333138174 /nfs/dbraw/zinc/13/81/74/333138174.db2.gz QDUZQRMLYWERGJ-UHFFFAOYSA-N 1 1 322.796 3.615 20 30 DHEDMO C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)C[N@H+]1C1CC1 ZINC000387908912 333184790 /nfs/dbraw/zinc/18/47/90/333184790.db2.gz RLRKKHNDJMCFFY-ZWNOBZJWSA-N 1 1 309.335 3.614 20 30 DHEDMO C[C@@H](CCN[C@@H](C)c1ccc(OCC#N)cc1)[NH+]1CCCCC1 ZINC000184513748 333197823 /nfs/dbraw/zinc/19/78/23/333197823.db2.gz IQCCVPKIUPSNQU-IRXDYDNUSA-N 1 1 315.461 3.504 20 30 DHEDMO COc1ccc(C[N@H+]2CCCC3(CC3)C2)cc1OCCCC#N ZINC000186623086 333220910 /nfs/dbraw/zinc/22/09/10/333220910.db2.gz XDUVXHIYJUBPHL-UHFFFAOYSA-N 1 1 314.429 3.754 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000364079121 333234656 /nfs/dbraw/zinc/23/46/56/333234656.db2.gz JXFZHNPRQUNMOC-HOTGVXAUSA-N 1 1 303.450 3.772 20 30 DHEDMO CC[N@H+](CC(=O)Nc1ccc(C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497593716 333267508 /nfs/dbraw/zinc/26/75/08/333267508.db2.gz HSXHSWMXQXAQPS-MRXNPFEDSA-N 1 1 321.424 3.888 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccc(C)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497593716 333267510 /nfs/dbraw/zinc/26/75/10/333267510.db2.gz HSXHSWMXQXAQPS-MRXNPFEDSA-N 1 1 321.424 3.888 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCC1CCOCC1 ZINC000368632929 333272279 /nfs/dbraw/zinc/27/22/79/333272279.db2.gz PLZYWWOQHISQCA-VQTJNVASSA-N 1 1 312.457 3.965 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000364338202 333291075 /nfs/dbraw/zinc/29/10/75/333291075.db2.gz OTMBUVCKWNJYEU-FQEVSTJZSA-N 1 1 304.393 3.580 20 30 DHEDMO C=CCC(CC=C)C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000364429955 333313863 /nfs/dbraw/zinc/31/38/63/333313863.db2.gz XMVSSYHSZFKDOE-SLFFLAALSA-N 1 1 324.468 3.516 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000365041101 333334879 /nfs/dbraw/zinc/33/48/79/333334879.db2.gz HAHDSWINGJXNFH-ZDUSSCGKSA-N 1 1 302.809 3.522 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H](OC(C)C)C2)ccc1OC ZINC000563151059 333397831 /nfs/dbraw/zinc/39/78/31/333397831.db2.gz PFXZECXUNBPKQW-QGZVFWFLSA-N 1 1 319.445 3.649 20 30 DHEDMO CC(C)c1nccn1C[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000365235814 333399555 /nfs/dbraw/zinc/39/95/55/333399555.db2.gz YZBXVDSJNRVEKY-IBGZPJMESA-N 1 1 307.441 3.523 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccncc2F)cc1OC ZINC000337943551 333465767 /nfs/dbraw/zinc/46/57/67/333465767.db2.gz NZXGNUOWINSMCT-ZDUSSCGKSA-N 1 1 316.376 3.645 20 30 DHEDMO C[C@@H]([NH2+]Cc1nc2c(s1)C[C@@H](C)CC2)c1ccc(C#N)cc1 ZINC000152092257 333605106 /nfs/dbraw/zinc/60/51/06/333605106.db2.gz HOOAXLUDCXLOSS-QWHCGFSZSA-N 1 1 311.454 3.990 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@@H](C)c1cn(C)nc1C)c1ccc(F)c(F)c1 ZINC000186447581 335157925 /nfs/dbraw/zinc/15/79/25/335157925.db2.gz JBMSEVSRBHAKRG-APPDUMDISA-N 1 1 305.372 3.975 20 30 DHEDMO Cc1ccnc(NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1C#N ZINC000343435874 335164042 /nfs/dbraw/zinc/16/40/42/335164042.db2.gz LDEYDXKKQSPGDQ-INIZCTEOSA-N 1 1 314.820 3.630 20 30 DHEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000271051866 334017622 /nfs/dbraw/zinc/01/76/22/334017622.db2.gz PYXAUDNMLXWISU-MRXNPFEDSA-N 1 1 310.445 3.940 20 30 DHEDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000271085969 334018056 /nfs/dbraw/zinc/01/80/56/334018056.db2.gz UBNQGKVZZTZHNP-OAHLLOKOSA-N 1 1 304.434 3.998 20 30 DHEDMO CCc1ccc(-c2noc([C@H](C)[NH2+]CCC(C)(C)C#N)n2)cc1 ZINC000273278295 334045023 /nfs/dbraw/zinc/04/50/23/334045023.db2.gz GGJLEAPQURMGDU-ZDUSSCGKSA-N 1 1 312.417 3.889 20 30 DHEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC000571654738 334071868 /nfs/dbraw/zinc/07/18/68/334071868.db2.gz VHZWOSQXRGQQFU-HXUWFJFHSA-N 1 1 305.425 3.897 20 30 DHEDMO COc1cccc([C@@H]2C[N@H+](CCCCC(C)(C)C#N)CCO2)c1 ZINC000277867796 334091610 /nfs/dbraw/zinc/09/16/10/334091610.db2.gz YMBMNEZAEKZMIT-SFHVURJKSA-N 1 1 316.445 3.789 20 30 DHEDMO COc1cccc([C@@H]2C[N@@H+](CCCCC(C)(C)C#N)CCO2)c1 ZINC000277867796 334091611 /nfs/dbraw/zinc/09/16/11/334091611.db2.gz YMBMNEZAEKZMIT-SFHVURJKSA-N 1 1 316.445 3.789 20 30 DHEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]([C@@H]4CC[C@@H](C#N)C4)C3)nc2c1 ZINC000278761220 334100956 /nfs/dbraw/zinc/10/09/56/334100956.db2.gz XVHKVOGRNDHQHO-BZUAXINKSA-N 1 1 308.429 3.743 20 30 DHEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+]([C@@H]4CC[C@@H](C#N)C4)C3)[nH]c2c1 ZINC000278761220 334100957 /nfs/dbraw/zinc/10/09/57/334100957.db2.gz XVHKVOGRNDHQHO-BZUAXINKSA-N 1 1 308.429 3.743 20 30 DHEDMO Cc1ccc2nc([C@@H]3CCC[N@H+]([C@@H]4CC[C@@H](C#N)C4)C3)[nH]c2c1 ZINC000278761220 334100958 /nfs/dbraw/zinc/10/09/58/334100958.db2.gz XVHKVOGRNDHQHO-BZUAXINKSA-N 1 1 308.429 3.743 20 30 DHEDMO C=C(C)CN(Cc1ccc(CO)o1)c1cc[nH+]c2ccsc21 ZINC000343610138 335176877 /nfs/dbraw/zinc/17/68/77/335176877.db2.gz NIAQUWJWXANLNH-UHFFFAOYSA-N 1 1 314.410 3.964 20 30 DHEDMO COc1cc(C[NH2+][C@H](c2nc(C)cs2)C2CC2)ccc1C#N ZINC000281834217 334128873 /nfs/dbraw/zinc/12/88/73/334128873.db2.gz XYIDFUNXIXICFH-INIZCTEOSA-N 1 1 313.426 3.573 20 30 DHEDMO C=CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1cccc(C#N)c1 ZINC000282063481 334130927 /nfs/dbraw/zinc/13/09/27/334130927.db2.gz SHGABGNRMANQML-UHFFFAOYSA-N 1 1 323.440 3.647 20 30 DHEDMO N#CC1(CCC[N@@H+](Cc2cccs2)C2CC2)CCOCC1 ZINC000282132150 334131885 /nfs/dbraw/zinc/13/18/85/334131885.db2.gz YUZGXAVMRDAKIN-UHFFFAOYSA-N 1 1 304.459 3.813 20 30 DHEDMO CCCCOc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1OC ZINC000343581054 335179264 /nfs/dbraw/zinc/17/92/64/335179264.db2.gz KSYYQOUBCZGJAU-CQSZACIVSA-N 1 1 302.418 3.828 20 30 DHEDMO N#CCCC[N@@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000343582944 335179549 /nfs/dbraw/zinc/17/95/49/335179549.db2.gz QXJVGTGRKNVDOC-UHFFFAOYSA-N 1 1 312.244 3.809 20 30 DHEDMO COCCOCc1ccc(C[N@H+](CCC#N)CCC(C)C)cc1 ZINC000289345249 334164389 /nfs/dbraw/zinc/16/43/89/334164389.db2.gz MHWRHXGXKKOILV-UHFFFAOYSA-N 1 1 318.461 3.611 20 30 DHEDMO COCCOCc1ccc(C[N@@H+](CCC#N)CCC(C)C)cc1 ZINC000289345249 334164390 /nfs/dbraw/zinc/16/43/90/334164390.db2.gz MHWRHXGXKKOILV-UHFFFAOYSA-N 1 1 318.461 3.611 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292141367 334184742 /nfs/dbraw/zinc/18/47/42/334184742.db2.gz MLXIOSLFTOZUJR-GOSISDBHSA-N 1 1 312.457 3.736 20 30 DHEDMO N#C[C@@H]1CC[C@H](N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000292829363 334192928 /nfs/dbraw/zinc/19/29/28/334192928.db2.gz OPUDVVJJCZNXSH-CGXNFDGLSA-N 1 1 323.484 3.665 20 30 DHEDMO N#C[C@@H]1CC[C@H](N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000292829363 334192929 /nfs/dbraw/zinc/19/29/29/334192929.db2.gz OPUDVVJJCZNXSH-CGXNFDGLSA-N 1 1 323.484 3.665 20 30 DHEDMO N#CCCOCC[N@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000293333007 334197132 /nfs/dbraw/zinc/19/71/32/334197132.db2.gz CUHBVBKTLWQLGF-UHFFFAOYSA-N 1 1 312.335 3.600 20 30 DHEDMO C[N@@H+](CCc1cccc(Br)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293576454 334199064 /nfs/dbraw/zinc/19/90/64/334199064.db2.gz NJOQLHWJQJMKKJ-UKRRQHHQSA-N 1 1 307.235 3.616 20 30 DHEDMO COc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000293667167 334200373 /nfs/dbraw/zinc/20/03/73/334200373.db2.gz ZFQJRPCPRWEEFF-SMDDNHRTSA-N 1 1 323.234 3.582 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+](CCOCCC#N)Cc1ccccc1O ZINC000293748321 334201988 /nfs/dbraw/zinc/20/19/88/334201988.db2.gz IKTALDSWPAXUFP-KRWDZBQOSA-N 1 1 324.424 3.886 20 30 DHEDMO N#CCCOCC[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000293801643 334202460 /nfs/dbraw/zinc/20/24/60/334202460.db2.gz NJQCZEYCBUELQY-UHFFFAOYSA-N 1 1 321.424 3.643 20 30 DHEDMO Cc1c(Cl)cccc1N1CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000294025193 334204795 /nfs/dbraw/zinc/20/47/95/334204795.db2.gz HSVSYGHJXNKBCQ-CVEARBPZSA-N 1 1 317.864 3.853 20 30 DHEDMO COc1ccc(C[N@@H+]2CCC[C@](C)(F)C2)cc1OCCCC#N ZINC000294662184 334212335 /nfs/dbraw/zinc/21/23/35/334212335.db2.gz AMDUGWGPAORGOV-SFHVURJKSA-N 1 1 320.408 3.702 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@](C)(F)C2)cc1OCCCC#N ZINC000294662184 334212337 /nfs/dbraw/zinc/21/23/37/334212337.db2.gz AMDUGWGPAORGOV-SFHVURJKSA-N 1 1 320.408 3.702 20 30 DHEDMO CO[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1(C)C ZINC000295857898 334227944 /nfs/dbraw/zinc/22/79/44/334227944.db2.gz DYBCGHYXZKDMRW-KRWDZBQOSA-N 1 1 300.446 3.735 20 30 DHEDMO COc1ccc(Br)cc1C[N@@H+](C)[C@H](C)CCC#N ZINC000297830802 334244351 /nfs/dbraw/zinc/24/43/51/334244351.db2.gz JWTFUXDXHMTLSO-LLVKDONJSA-N 1 1 311.223 3.582 20 30 DHEDMO CC(C)(C)OC(=O)NCCC[C@H]([NH2+]CCC#N)c1ccccc1 ZINC000298117735 334246687 /nfs/dbraw/zinc/24/66/87/334246687.db2.gz KATVLSVOBWFATI-INIZCTEOSA-N 1 1 317.433 3.536 20 30 DHEDMO C=CC[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000187482383 334263329 /nfs/dbraw/zinc/26/33/29/334263329.db2.gz FXAXQMZOUQGSSV-HKUYNNGSSA-N 1 1 314.473 3.727 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C)C[C@@H]2CCCOC2)ccc1OC ZINC000119818520 334291265 /nfs/dbraw/zinc/29/12/65/334291265.db2.gz LLLMJDYZDNWTSX-KRWDZBQOSA-N 1 1 319.445 3.509 20 30 DHEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)Cc1cccs1 ZINC000048970449 334303612 /nfs/dbraw/zinc/30/36/12/334303612.db2.gz JFVQFFUVSNYPNA-UHFFFAOYSA-N 1 1 300.427 3.911 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000534657192 334314301 /nfs/dbraw/zinc/31/43/01/334314301.db2.gz QDYMVCZRXFEELH-SFHVURJKSA-N 1 1 312.800 3.865 20 30 DHEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000121370022 334353300 /nfs/dbraw/zinc/35/33/00/334353300.db2.gz WUMSKEYXRFWMEH-SECBINFHSA-N 1 1 320.742 3.804 20 30 DHEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000121370022 334353301 /nfs/dbraw/zinc/35/33/01/334353301.db2.gz WUMSKEYXRFWMEH-SECBINFHSA-N 1 1 320.742 3.804 20 30 DHEDMO Cc1cc(C[NH2+][C@@H](C)c2nccn2-c2ccccc2)ccc1C#N ZINC000342320833 334532334 /nfs/dbraw/zinc/53/23/34/334532334.db2.gz RMHAWSOVNGQNKA-INIZCTEOSA-N 1 1 316.408 3.903 20 30 DHEDMO N#C[C@@H]1CCC[C@H]([NH2+][C@H](CO)c2c(Cl)cccc2Cl)C1 ZINC000475630268 334913711 /nfs/dbraw/zinc/91/37/11/334913711.db2.gz ZBRCPTXGOMPCMB-UHIISALHSA-N 1 1 313.228 3.699 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000343773720 335192022 /nfs/dbraw/zinc/19/20/22/335192022.db2.gz UWTAFOJDDOPVGB-UHFFFAOYSA-N 1 1 313.404 3.914 20 30 DHEDMO COc1ccc(F)cc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000344338422 335242196 /nfs/dbraw/zinc/24/21/96/335242196.db2.gz PUWCLHMAXMXYBO-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1nc2c(s1)CCCC2 ZINC000344534127 335255611 /nfs/dbraw/zinc/25/56/11/335255611.db2.gz RFMIFYSXDHDJIK-JTQLQIEISA-N 1 1 303.456 3.806 20 30 DHEDMO C=CCCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000344487366 335256109 /nfs/dbraw/zinc/25/61/09/335256109.db2.gz VJQCZZRLGGITRZ-INIZCTEOSA-N 1 1 315.461 3.576 20 30 DHEDMO Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c(-c2ccccc2Cl)n1 ZINC000350456530 335754776 /nfs/dbraw/zinc/75/47/76/335754776.db2.gz GXWIORGOZNEFKP-MLGOLLRUSA-N 1 1 314.820 3.522 20 30 DHEDMO Cc1[nH+]ccn1-c1ccccc1CNc1ncc(C#N)cc1Cl ZINC000350738392 335778535 /nfs/dbraw/zinc/77/85/35/335778535.db2.gz WIJLUYUILOUKEP-UHFFFAOYSA-N 1 1 323.787 3.713 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000329640274 336025506 /nfs/dbraw/zinc/02/55/06/336025506.db2.gz ZHZASYXIABWVTM-OCGHMNHXSA-N 1 1 315.461 3.582 20 30 DHEDMO CC1=CC[N@@H+](CCNC(=O)[C@H](C)NC(=O)C2CCCCC2)CC1 ZINC000329721547 336070268 /nfs/dbraw/zinc/07/02/68/336070268.db2.gz NBZXRYDHJOJNGG-HNNXBMFYSA-N 1 1 321.465 3.520 20 30 DHEDMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(C2CCCC2)c1C ZINC000329956668 336099743 /nfs/dbraw/zinc/09/97/43/336099743.db2.gz PCLZBFDVPPQKGG-INIZCTEOSA-N 1 1 304.438 3.769 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2nc(-c3ccoc3)no2)CCCC1(C)C ZINC000332081877 336157607 /nfs/dbraw/zinc/15/76/07/336157607.db2.gz NDZKTCUUAYFOPF-CQSZACIVSA-N 1 1 301.390 3.896 20 30 DHEDMO CCS[C@@H]1CCCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000332232120 336164255 /nfs/dbraw/zinc/16/42/55/336164255.db2.gz PEIHTCBHWOSHDY-HZPDHXFCSA-N 1 1 317.458 3.742 20 30 DHEDMO N#Cc1ccc(C2=CC[N@H+](Cc3cc(O)cc(F)c3)CC2)cc1 ZINC000352000872 336187487 /nfs/dbraw/zinc/18/74/87/336187487.db2.gz AYPSRACRHUUUHS-UHFFFAOYSA-N 1 1 308.356 3.692 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cc(O)cc(F)c3)CC2)cc1 ZINC000352000872 336187488 /nfs/dbraw/zinc/18/74/88/336187488.db2.gz AYPSRACRHUUUHS-UHFFFAOYSA-N 1 1 308.356 3.692 20 30 DHEDMO CCCC[N@@H+](C)CCNc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000352312813 336211953 /nfs/dbraw/zinc/21/19/53/336211953.db2.gz AKRDJDVQLFHIHC-UHFFFAOYSA-N 1 1 318.371 3.528 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000352433378 336218363 /nfs/dbraw/zinc/21/83/63/336218363.db2.gz VASKSMIVWIYALD-IAGOWNOFSA-N 1 1 316.832 3.745 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000352433378 336218364 /nfs/dbraw/zinc/21/83/64/336218364.db2.gz VASKSMIVWIYALD-IAGOWNOFSA-N 1 1 316.832 3.745 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1nnc(-c2ccccc2)o1 ZINC000352700871 336231175 /nfs/dbraw/zinc/23/11/75/336231175.db2.gz YYAVLSQHMGLHHA-UHFFFAOYSA-N 1 1 309.369 3.560 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1nnc(-c2ccccc2)o1 ZINC000352700871 336231176 /nfs/dbraw/zinc/23/11/76/336231176.db2.gz YYAVLSQHMGLHHA-UHFFFAOYSA-N 1 1 309.369 3.560 20 30 DHEDMO C=C(C)COc1cccc(NCc2ncc(C[NH+](C)C)s2)c1 ZINC000352748099 336234583 /nfs/dbraw/zinc/23/45/83/336234583.db2.gz HCPZSSRMCPKUFD-UHFFFAOYSA-N 1 1 317.458 3.772 20 30 DHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000532378840 336243968 /nfs/dbraw/zinc/24/39/68/336243968.db2.gz GVFZEHYNSDHNFP-OAHLLOKOSA-N 1 1 308.466 3.760 20 30 DHEDMO C[C@@H]1C[C@@H](CCNc2ncccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000532797320 336271639 /nfs/dbraw/zinc/27/16/39/336271639.db2.gz UVHAPUMCGSOYRJ-SJLPKXTDSA-N 1 1 320.440 3.666 20 30 DHEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(-c2cccnc2)cc1 ZINC000352835240 336271930 /nfs/dbraw/zinc/27/19/30/336271930.db2.gz KOPPKUVSYOQDOX-ZDUSSCGKSA-N 1 1 320.421 3.928 20 30 DHEDMO C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352835752 336272205 /nfs/dbraw/zinc/27/22/05/336272205.db2.gz LCYRNAGFVFCIRJ-MGPLVRAMSA-N 1 1 301.390 3.567 20 30 DHEDMO C[C@@H]1CCC[N@@H+](CCCCNc2c(F)cc(C#N)cc2F)C1 ZINC000301127822 336291304 /nfs/dbraw/zinc/29/13/04/336291304.db2.gz VMIRHMFXYDCPLA-CYBMUJFWSA-N 1 1 307.388 3.760 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCCNc1c(F)cc(C#N)cc1F ZINC000301130917 336291455 /nfs/dbraw/zinc/29/14/55/336291455.db2.gz YGUDCPBJXMAZLQ-ZDUSSCGKSA-N 1 1 307.388 3.903 20 30 DHEDMO N#Cc1c(F)cccc1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000301215483 336295281 /nfs/dbraw/zinc/29/52/81/336295281.db2.gz XLSFYMRPCOVBQU-KRWDZBQOSA-N 1 1 323.415 3.674 20 30 DHEDMO C[C@@H](CNc1snc(Cl)c1C#N)[N@@H+](C)Cc1ccccc1 ZINC000301223686 336295556 /nfs/dbraw/zinc/29/55/56/336295556.db2.gz AKCMWQDXOUJRDV-NSHDSACASA-N 1 1 320.849 3.601 20 30 DHEDMO C[C@H](CNc1ccc(F)cc1C#N)[N@H+]1CCc2ccccc2C1 ZINC000301343129 336301631 /nfs/dbraw/zinc/30/16/31/336301631.db2.gz GGMBZJSSADXEBC-CQSZACIVSA-N 1 1 309.388 3.556 20 30 DHEDMO C[C@@H](CNc1c(C#N)cnc2ccccc21)[N@H+]1CCC[C@H](C)C1 ZINC000301373569 336303116 /nfs/dbraw/zinc/30/31/16/336303116.db2.gz QNQSTSCBVOSJDW-GJZGRUSLSA-N 1 1 308.429 3.639 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2cccc(C#N)n2)cc1 ZINC000301740063 336326873 /nfs/dbraw/zinc/32/68/73/336326873.db2.gz KHRGBIMEENJBRQ-ZDUSSCGKSA-N 1 1 303.369 3.621 20 30 DHEDMO CCC[N@H+]1CC[C@@H](CNc2c(C#N)cnc3c(C)cc(C)cc32)C1 ZINC000302004924 336342756 /nfs/dbraw/zinc/34/27/56/336342756.db2.gz ZUUNRQRRMGRUBQ-INIZCTEOSA-N 1 1 322.456 3.867 20 30 DHEDMO CC(=O)c1ccc(C#N)c(NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000302079198 336347507 /nfs/dbraw/zinc/34/75/07/336347507.db2.gz BGSCQCHYDHVFPP-OAHLLOKOSA-N 1 1 313.445 3.827 20 30 DHEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1cc(C(C)=O)ccc1C#N ZINC000302117981 336349340 /nfs/dbraw/zinc/34/93/40/336349340.db2.gz SFJOQPNWHDFPBI-GOSISDBHSA-N 1 1 313.445 3.827 20 30 DHEDMO CCC[N@H+]1CC[C@H](CNc2cc(C#N)ccc2C(F)(F)F)C1 ZINC000302235543 336355606 /nfs/dbraw/zinc/35/56/06/336355606.db2.gz IIKWPVPIJAXHKI-CYBMUJFWSA-N 1 1 311.351 3.721 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](C[C@@H]3CCCC(F)(F)C3)CCO2)c1 ZINC000514108342 336363124 /nfs/dbraw/zinc/36/31/24/336363124.db2.gz YGXDURPVJYNJGO-NVXWUHKLSA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H]3CCCC(F)(F)C3)CCO2)c1 ZINC000514108342 336363125 /nfs/dbraw/zinc/36/31/25/336363125.db2.gz YGXDURPVJYNJGO-NVXWUHKLSA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCOc3c(F)ccc(F)c32)s1 ZINC000361226364 336745182 /nfs/dbraw/zinc/74/51/82/336745182.db2.gz BBYITAGYMYSHDB-CYBMUJFWSA-N 1 1 306.337 3.511 20 30 DHEDMO Cc1cc(C)c(C#N)c(N2CCC[C@H](n3cc[nH+]c3C(C)C)C2)n1 ZINC000373087672 336948110 /nfs/dbraw/zinc/94/81/10/336948110.db2.gz MTNCYEWPGFTOKB-INIZCTEOSA-N 1 1 323.444 3.732 20 30 DHEDMO O=C(c1ccccc1)C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000121845404 336981492 /nfs/dbraw/zinc/98/14/92/336981492.db2.gz LPNDKVUPRXYPDH-UHFFFAOYSA-N 1 1 321.395 3.772 20 30 DHEDMO CC(C)Oc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)ccn1 ZINC000122409729 337008048 /nfs/dbraw/zinc/00/80/48/337008048.db2.gz KRDBSGNBGLGEMH-UHFFFAOYSA-N 1 1 321.424 3.905 20 30 DHEDMO N#CC1(CCC[N@H+]2CCOC3(C2)CCCCCC3)CCOCC1 ZINC000375613686 337014678 /nfs/dbraw/zinc/01/46/78/337014678.db2.gz PCHUDNLIZJJJLT-UHFFFAOYSA-N 1 1 320.477 3.512 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000375803806 337019948 /nfs/dbraw/zinc/01/99/48/337019948.db2.gz FNTICZJDTVOFPD-UHFFFAOYSA-N 1 1 303.425 3.668 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@]3(CCCCO3)C2)cc1 ZINC000376116946 337027507 /nfs/dbraw/zinc/02/75/07/337027507.db2.gz RIDOMXCWXHZPIM-LPHOPBHVSA-N 1 1 314.429 3.513 20 30 DHEDMO C[C@@H]1[N@@H+](Cc2ccc(Cl)cc2C#N)CCC12CCOCC2 ZINC000376938684 337043813 /nfs/dbraw/zinc/04/38/13/337043813.db2.gz CQEIGAXPFGVQNH-ZDUSSCGKSA-N 1 1 304.821 3.603 20 30 DHEDMO CC[C@@H]([NH2+][C@H]1CCCn2nc(C(C)C)nc21)c1ccc(C#N)cc1 ZINC000377262136 337049641 /nfs/dbraw/zinc/04/96/41/337049641.db2.gz NIEXWTLBWRIZCT-SJORKVTESA-N 1 1 323.444 3.849 20 30 DHEDMO CC[N@@H+](Cc1ccccc1C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000583696292 337050518 /nfs/dbraw/zinc/05/05/18/337050518.db2.gz MVXQMIHCWCDMQE-UHFFFAOYSA-N 1 1 309.369 3.797 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1nccn1-c1ccccc1 ZINC000377408210 337052275 /nfs/dbraw/zinc/05/22/75/337052275.db2.gz PIYQPFIGZIBKKT-ZDUSSCGKSA-N 1 1 308.410 3.656 20 30 DHEDMO CC(C)c1nccn1C[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000377713377 337059396 /nfs/dbraw/zinc/05/93/96/337059396.db2.gz WHFGDZZGJUKIPP-GOSISDBHSA-N 1 1 308.429 3.543 20 30 DHEDMO C[N@H+]1CCCC[C@H]1CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000378353569 337070752 /nfs/dbraw/zinc/07/07/52/337070752.db2.gz GEFNDOWNRPFQSL-FQEVSTJZSA-N 1 1 309.457 3.522 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000171382384 337086459 /nfs/dbraw/zinc/08/64/59/337086459.db2.gz RWLZXQICIPUMQR-ZDUSSCGKSA-N 1 1 301.390 3.533 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000171382384 337086460 /nfs/dbraw/zinc/08/64/60/337086460.db2.gz RWLZXQICIPUMQR-ZDUSSCGKSA-N 1 1 301.390 3.533 20 30 DHEDMO CC[C@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000173775265 337138250 /nfs/dbraw/zinc/13/82/50/337138250.db2.gz VHCQYHHOFGSGII-SCLBCKFNSA-N 1 1 317.433 3.607 20 30 DHEDMO CC[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000173775265 337138251 /nfs/dbraw/zinc/13/82/51/337138251.db2.gz VHCQYHHOFGSGII-SCLBCKFNSA-N 1 1 317.433 3.607 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175827377 337149378 /nfs/dbraw/zinc/14/93/78/337149378.db2.gz SMQONQLULQNDEO-CABCVRRESA-N 1 1 306.475 3.966 20 30 DHEDMO COC[C@H](C)[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000179371685 337167445 /nfs/dbraw/zinc/16/74/45/337167445.db2.gz LBPCYCBOOPGDTG-INIZCTEOSA-N 1 1 324.424 3.604 20 30 DHEDMO Cc1ncc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)s1 ZINC000179381847 337167660 /nfs/dbraw/zinc/16/76/60/337167660.db2.gz OBCOSUJDYINGAS-UHFFFAOYSA-N 1 1 315.442 3.766 20 30 DHEDMO Cc1ncc(C[N@H+](C)Cc2cccc(OCCCC#N)c2)s1 ZINC000179381847 337167661 /nfs/dbraw/zinc/16/76/61/337167661.db2.gz OBCOSUJDYINGAS-UHFFFAOYSA-N 1 1 315.442 3.766 20 30 DHEDMO CC1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179888388 337172396 /nfs/dbraw/zinc/17/23/96/337172396.db2.gz ANLGBBCHVDQAHZ-UHFFFAOYSA-N 1 1 322.456 3.969 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1Br)c1cccnc1 ZINC000181632770 337183501 /nfs/dbraw/zinc/18/35/01/337183501.db2.gz ZOCFWTJUFOTISR-NSHDSACASA-N 1 1 316.202 3.567 20 30 DHEDMO COc1ccc2nc(C[N@H+](C)Cc3ccc(C#N)cc3)sc2c1 ZINC000186495403 337256648 /nfs/dbraw/zinc/25/66/48/337256648.db2.gz KWKUUHBWHDTVAQ-UHFFFAOYSA-N 1 1 323.421 3.809 20 30 DHEDMO COc1ccc2nc(C[N@@H+](C)Cc3ccc(C#N)cc3)sc2c1 ZINC000186495403 337256649 /nfs/dbraw/zinc/25/66/49/337256649.db2.gz KWKUUHBWHDTVAQ-UHFFFAOYSA-N 1 1 323.421 3.809 20 30 DHEDMO COc1ccc(C[N@H+]2CCCC[C@H](C)C2)cc1OCCCC#N ZINC000187515197 337266486 /nfs/dbraw/zinc/26/64/86/337266486.db2.gz XJCPSYHCSABGQB-INIZCTEOSA-N 1 1 316.445 4.000 20 30 DHEDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000187576631 337267012 /nfs/dbraw/zinc/26/70/12/337267012.db2.gz JQNXDIJZRPDZMY-RDJZCZTQSA-N 1 1 316.445 3.998 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2cc(C#N)n(C)c2)[C@H](C)C2CC2)cc1 ZINC000191190115 337294125 /nfs/dbraw/zinc/29/41/25/337294125.db2.gz GPDYVQFLWAVQAS-OAHLLOKOSA-N 1 1 323.440 3.706 20 30 DHEDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)n(C)c2)cc1 ZINC000191190954 337294483 /nfs/dbraw/zinc/29/44/83/337294483.db2.gz DQDCAWIAMYDXCR-IBGZPJMESA-N 1 1 309.413 3.633 20 30 DHEDMO Cn1cc(C[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)cc1C#N ZINC000191435776 337296935 /nfs/dbraw/zinc/29/69/35/337296935.db2.gz VMJBOKGEXXSNLJ-UHFFFAOYSA-N 1 1 317.392 3.715 20 30 DHEDMO Cn1cc(C[N@H+]2CCc3cc(-c4ccccc4)oc3C2)cc1C#N ZINC000191435776 337296936 /nfs/dbraw/zinc/29/69/36/337296936.db2.gz VMJBOKGEXXSNLJ-UHFFFAOYSA-N 1 1 317.392 3.715 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(F)c(F)c1 ZINC000191614860 337297871 /nfs/dbraw/zinc/29/78/71/337297871.db2.gz WGEUIFMQINPSEP-KRWDZBQOSA-N 1 1 301.340 3.582 20 30 DHEDMO C[C@@H]1CCSCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000191814400 337300272 /nfs/dbraw/zinc/30/02/72/337300272.db2.gz UBYAXMJGUXYFIZ-OAHLLOKOSA-N 1 1 304.459 3.697 20 30 DHEDMO Cc1csc([C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C2CC2)n1 ZINC000192165274 337303666 /nfs/dbraw/zinc/30/36/66/337303666.db2.gz YIHPAGZYFQKOIQ-HNNXBMFYSA-N 1 1 301.390 3.703 20 30 DHEDMO CCCO[C@@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)CC1 ZINC000108398831 337387837 /nfs/dbraw/zinc/38/78/37/337387837.db2.gz PDMQUPSBMWJQCV-GOSISDBHSA-N 1 1 316.445 3.608 20 30 DHEDMO COC[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cccc(Cl)c1 ZINC000564123301 337471144 /nfs/dbraw/zinc/47/11/44/337471144.db2.gz HUEUVUFOZVRRBH-INIZCTEOSA-N 1 1 318.779 3.828 20 30 DHEDMO C=CCn1cc(C[NH2+][C@@H](CCC)c2ccc(Cl)cc2)nn1 ZINC000424291246 337816310 /nfs/dbraw/zinc/81/63/10/337816310.db2.gz DJMSTKDZPOFLJV-INIZCTEOSA-N 1 1 304.825 3.749 20 30 DHEDMO CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+](CC)CCCCC#N ZINC000537899794 338002421 /nfs/dbraw/zinc/00/24/21/338002421.db2.gz HDTXMPCRHAWELF-MRXNPFEDSA-N 1 1 322.836 3.960 20 30 DHEDMO CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+](CC)CCCCC#N ZINC000537899794 338002422 /nfs/dbraw/zinc/00/24/22/338002422.db2.gz HDTXMPCRHAWELF-MRXNPFEDSA-N 1 1 322.836 3.960 20 30 DHEDMO Cc1cccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)n1 ZINC000516119248 338005721 /nfs/dbraw/zinc/00/57/21/338005721.db2.gz FZJKLHKFCFQMAA-UHFFFAOYSA-N 1 1 305.303 3.570 20 30 DHEDMO CC[C@]1(C)CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000426459099 338032767 /nfs/dbraw/zinc/03/27/67/338032767.db2.gz LCRBQARMUMRWRG-QGZVFWFLSA-N 1 1 319.474 3.687 20 30 DHEDMO CC[C@]1(C)CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000426459099 338032768 /nfs/dbraw/zinc/03/27/68/338032768.db2.gz LCRBQARMUMRWRG-QGZVFWFLSA-N 1 1 319.474 3.687 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1SC)OCCO2 ZINC000426557231 338034745 /nfs/dbraw/zinc/03/47/45/338034745.db2.gz DVIAGAJAKJMZFC-AWEZNQCLSA-N 1 1 305.443 3.720 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000428225261 338043260 /nfs/dbraw/zinc/04/32/60/338043260.db2.gz RTQDEGOMWMPYJD-GOSISDBHSA-N 1 1 324.399 3.531 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000428225261 338043261 /nfs/dbraw/zinc/04/32/61/338043261.db2.gz RTQDEGOMWMPYJD-GOSISDBHSA-N 1 1 324.399 3.531 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3cccc(F)c3C#N)C2)cc1 ZINC000428399483 338050126 /nfs/dbraw/zinc/05/01/26/338050126.db2.gz HRJIIJORCRJHDE-HNNXBMFYSA-N 1 1 310.372 3.695 20 30 DHEDMO CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428785192 338061106 /nfs/dbraw/zinc/06/11/06/338061106.db2.gz QFNZKODPQORDJW-ROUUACIJSA-N 1 1 307.397 3.558 20 30 DHEDMO COc1ccc(C)[nH+]c1NCc1ccc(F)c(C#N)c1Cl ZINC000428870002 338063647 /nfs/dbraw/zinc/06/36/47/338063647.db2.gz WXVLHQUYZWJZEI-UHFFFAOYSA-N 1 1 305.740 3.675 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000428960022 338066782 /nfs/dbraw/zinc/06/67/82/338066782.db2.gz ZNSGCCYHEDUKGU-IPELMVKDSA-N 1 1 316.420 3.603 20 30 DHEDMO CC(C)(CO)[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cccs1 ZINC000428971373 338067349 /nfs/dbraw/zinc/06/73/49/338067349.db2.gz DATOSCNJTKWAEQ-INIZCTEOSA-N 1 1 318.417 3.608 20 30 DHEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000448454301 338067624 /nfs/dbraw/zinc/06/76/24/338067624.db2.gz JDRSPHNMDLNNBY-HNNXBMFYSA-N 1 1 301.352 3.507 20 30 DHEDMO Clc1cccnc1C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000429217012 338073489 /nfs/dbraw/zinc/07/34/89/338073489.db2.gz QZBKOUFXSSEKAK-UHFFFAOYSA-N 1 1 310.828 3.966 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](CSC)C2)c1C ZINC000429269965 338075513 /nfs/dbraw/zinc/07/55/13/338075513.db2.gz DASZUDPSIRDURU-MRXNPFEDSA-N 1 1 320.502 3.549 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](CSC)C2)c1C ZINC000429269965 338075514 /nfs/dbraw/zinc/07/55/14/338075514.db2.gz DASZUDPSIRDURU-MRXNPFEDSA-N 1 1 320.502 3.549 20 30 DHEDMO C=CC[N@@H+](CCC#N)C[C@@H](C)c1cccc(Br)c1 ZINC000430100808 338096534 /nfs/dbraw/zinc/09/65/34/338096534.db2.gz GXYAHEGIHRFLJL-CYBMUJFWSA-N 1 1 307.235 3.954 20 30 DHEDMO C=CC[N@H+](CCC#N)C[C@@H](C)c1cccc(Br)c1 ZINC000430100808 338096535 /nfs/dbraw/zinc/09/65/35/338096535.db2.gz GXYAHEGIHRFLJL-CYBMUJFWSA-N 1 1 307.235 3.954 20 30 DHEDMO Cc1cc(C)c(C#N)c(SCC[N@H+](C)Cc2ccccc2)n1 ZINC000430104904 338096817 /nfs/dbraw/zinc/09/68/17/338096817.db2.gz JUGNEQXAJXBKNZ-UHFFFAOYSA-N 1 1 311.454 3.794 20 30 DHEDMO C=C(C)COc1cc(C[N@H+](C)C(C)(C)COC)ccc1OC ZINC000430135808 338098604 /nfs/dbraw/zinc/09/86/04/338098604.db2.gz RHYITRLJFUYTEX-UHFFFAOYSA-N 1 1 307.434 3.507 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433052135 338178782 /nfs/dbraw/zinc/17/87/82/338178782.db2.gz KEABVLNAVPKDJO-GOSISDBHSA-N 1 1 306.409 3.946 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433052136 338178837 /nfs/dbraw/zinc/17/88/37/338178837.db2.gz KEABVLNAVPKDJO-SFHVURJKSA-N 1 1 306.409 3.946 20 30 DHEDMO C=CCC[NH+]1CCN(C(=O)c2sc3ccccc3c2C)CC1 ZINC000152626815 338209222 /nfs/dbraw/zinc/20/92/22/338209222.db2.gz LZYQORMPWSJVEH-UHFFFAOYSA-N 1 1 314.454 3.544 20 30 DHEDMO Cc1cc(CNC[C@H]2CCC[N@H+]2C2CCCCC2)ccc1C#N ZINC000435743931 338247617 /nfs/dbraw/zinc/24/76/17/338247617.db2.gz CIANTBQYFMWQSR-HXUWFJFHSA-N 1 1 311.473 3.753 20 30 DHEDMO Cc1cc(C[NH2+]C[C@H]2CCCN2C2CCCCC2)ccc1C#N ZINC000435743931 338247618 /nfs/dbraw/zinc/24/76/18/338247618.db2.gz CIANTBQYFMWQSR-HXUWFJFHSA-N 1 1 311.473 3.753 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1c[nH]nc1-c1ccsc1 ZINC000437795301 338321888 /nfs/dbraw/zinc/32/18/88/338321888.db2.gz GLSSGZDHWNKEOZ-UHFFFAOYSA-N 1 1 313.426 3.962 20 30 DHEDMO C[N@@H+](CCc1cccs1)Cc1ccc(C#N)cc1OC(F)F ZINC000437876807 338323964 /nfs/dbraw/zinc/32/39/64/338323964.db2.gz YVHGNAHOJUBTRM-UHFFFAOYSA-N 1 1 322.380 3.896 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](C(C)C)C1 ZINC000438486376 338345777 /nfs/dbraw/zinc/34/57/77/338345777.db2.gz PELNVWNFNBPHIS-CVEARBPZSA-N 1 1 320.502 3.629 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@H](CCO)c1ccccc1 ZINC000439430682 338369314 /nfs/dbraw/zinc/36/93/14/338369314.db2.gz JVPPOZJFDNQSED-GOSISDBHSA-N 1 1 314.816 3.767 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H](CCO)c1ccccc1 ZINC000439430682 338369315 /nfs/dbraw/zinc/36/93/15/338369315.db2.gz JVPPOZJFDNQSED-GOSISDBHSA-N 1 1 314.816 3.767 20 30 DHEDMO CC1(C)C[N@H+](Cc2ccccc2C#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440541505 338389737 /nfs/dbraw/zinc/38/97/37/338389737.db2.gz WPQIEIPPVCYZOX-BPAFIMBUSA-N 1 1 310.441 3.728 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccccc2C#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440541505 338389738 /nfs/dbraw/zinc/38/97/38/338389738.db2.gz WPQIEIPPVCYZOX-BPAFIMBUSA-N 1 1 310.441 3.728 20 30 DHEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2csc(CCc3ccccc3)n2)C1 ZINC000442777955 338430497 /nfs/dbraw/zinc/43/04/97/338430497.db2.gz JILSXZUJXFJDAC-JKSUJKDBSA-N 1 1 311.454 3.710 20 30 DHEDMO C=CCC1(CNC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)CCCC1 ZINC000459056262 339012300 /nfs/dbraw/zinc/01/23/00/339012300.db2.gz WIWGQNZTUMFNSG-IRXDYDNUSA-N 1 1 321.509 3.637 20 30 DHEDMO CCS[C@@H]1CCCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459351895 339023753 /nfs/dbraw/zinc/02/37/53/339023753.db2.gz UTGYCIGRCRIJIS-CQSZACIVSA-N 1 1 319.430 3.574 20 30 DHEDMO CCS[C@@H]1CCCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459351895 339023754 /nfs/dbraw/zinc/02/37/54/339023754.db2.gz UTGYCIGRCRIJIS-CQSZACIVSA-N 1 1 319.430 3.574 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459470887 339031272 /nfs/dbraw/zinc/03/12/72/339031272.db2.gz AUVUENBXCFEQTQ-MRXNPFEDSA-N 1 1 323.444 3.842 20 30 DHEDMO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)CC#N)[C@H]1Sc1ccccc1 ZINC000459475500 339031563 /nfs/dbraw/zinc/03/15/63/339031563.db2.gz GKDVOEXAJXOFJC-XLNGHYISSA-N 1 1 304.459 3.607 20 30 DHEDMO CC(C)(CC#N)C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000459734738 339045183 /nfs/dbraw/zinc/04/51/83/339045183.db2.gz SSWOUUKGWCMXOE-UHFFFAOYSA-N 1 1 317.177 3.757 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459754365 339046489 /nfs/dbraw/zinc/04/64/89/339046489.db2.gz MQNPXVCJZMTJKM-RBUKOAKNSA-N 1 1 315.457 3.624 20 30 DHEDMO Cc1noc(C)c1CC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000166215678 339053120 /nfs/dbraw/zinc/05/31/20/339053120.db2.gz BZKDXCSVNNMVNI-OALUTQOASA-N 1 1 309.413 3.606 20 30 DHEDMO Cc1noc(C)c1CC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000166215678 339053121 /nfs/dbraw/zinc/05/31/21/339053121.db2.gz BZKDXCSVNNMVNI-OALUTQOASA-N 1 1 309.413 3.606 20 30 DHEDMO C=CCN(Cc1ccccc1)C(=O)N[C@H](C)C[N@H+](CC)CCC ZINC000462720183 339084729 /nfs/dbraw/zinc/08/47/29/339084729.db2.gz IXQBEGOYIAWPPD-QGZVFWFLSA-N 1 1 317.477 3.505 20 30 DHEDMO N#Cc1cccc(Cl)c1NCC[N@@H+]1CCc2ccccc2C1 ZINC000462920979 339098075 /nfs/dbraw/zinc/09/80/75/339098075.db2.gz BQDJLWNNNJCRRI-UHFFFAOYSA-N 1 1 311.816 3.682 20 30 DHEDMO N#Cc1cccc(Cl)c1NCC[N@H+]1CCc2ccccc2C1 ZINC000462920979 339098076 /nfs/dbraw/zinc/09/80/76/339098076.db2.gz BQDJLWNNNJCRRI-UHFFFAOYSA-N 1 1 311.816 3.682 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CC#Cc2ccccc2)C1 ZINC000463217325 339110019 /nfs/dbraw/zinc/11/00/19/339110019.db2.gz CCHMXECXSLEDAI-WLRLJWMZSA-N 1 1 311.469 3.690 20 30 DHEDMO CCC[C@@]1(C)CCC[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000464840429 339156844 /nfs/dbraw/zinc/15/68/44/339156844.db2.gz UXRWEQJBMOWOEX-IBGZPJMESA-N 1 1 316.445 3.848 20 30 DHEDMO N#CCSCCC[N@@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000466729323 339214653 /nfs/dbraw/zinc/21/46/53/339214653.db2.gz ZHFIZEMXQLAFSM-UHFFFAOYSA-N 1 1 315.269 3.998 20 30 DHEDMO N#CCSCCC[N@H+]1CCc2c(Cl)c(Cl)ccc2C1 ZINC000466729323 339214654 /nfs/dbraw/zinc/21/46/54/339214654.db2.gz ZHFIZEMXQLAFSM-UHFFFAOYSA-N 1 1 315.269 3.998 20 30 DHEDMO C=CCCC[N@H+](C)CCOc1ccc(OC(F)(F)F)cc1 ZINC000466731531 339214712 /nfs/dbraw/zinc/21/47/12/339214712.db2.gz OUIVTXNQAXTBFS-UHFFFAOYSA-N 1 1 303.324 3.862 20 30 DHEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CCCSCC#N ZINC000466734885 339214862 /nfs/dbraw/zinc/21/48/62/339214862.db2.gz HSPIJRSTXDIISN-QGZVFWFLSA-N 1 1 308.466 3.971 20 30 DHEDMO C=CCC(CC=C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000467824838 339247096 /nfs/dbraw/zinc/24/70/96/339247096.db2.gz MKNUSLODSJQRIK-CALCHBBNSA-N 1 1 306.494 3.629 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@](C)(CC)C1 ZINC000468126585 339254864 /nfs/dbraw/zinc/25/48/64/339254864.db2.gz LADXPRSPGTWUGB-CRAIPNDOSA-N 1 1 320.502 3.773 20 30 DHEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCCN(c2ccccc2)C1 ZINC000468269754 339258280 /nfs/dbraw/zinc/25/82/80/339258280.db2.gz HMIWWYVXGOMUAZ-IBGZPJMESA-N 1 1 323.415 3.798 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(F)c(C#N)c1 ZINC000468287324 339259044 /nfs/dbraw/zinc/25/90/44/339259044.db2.gz QNTALQXSWJUWJA-UHFFFAOYSA-N 1 1 310.372 3.894 20 30 DHEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000468902127 339274235 /nfs/dbraw/zinc/27/42/35/339274235.db2.gz IMKQAJJIEAXYSA-IBGZPJMESA-N 1 1 324.399 3.913 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000469009690 339277505 /nfs/dbraw/zinc/27/75/05/339277505.db2.gz QZACIBUPMFSZIV-UHFFFAOYSA-N 1 1 304.434 3.949 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000469009690 339277506 /nfs/dbraw/zinc/27/75/06/339277506.db2.gz QZACIBUPMFSZIV-UHFFFAOYSA-N 1 1 304.434 3.949 20 30 DHEDMO C[C@@H](C[N@H+](C)CC1(C#N)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469748203 339297623 /nfs/dbraw/zinc/29/76/23/339297623.db2.gz IKFHXKZJVRCRNR-NSHDSACASA-N 1 1 313.228 3.996 20 30 DHEDMO C[C@@H](C[N@@H+](C)CC1(C#N)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000469748203 339297624 /nfs/dbraw/zinc/29/76/24/339297624.db2.gz IKFHXKZJVRCRNR-NSHDSACASA-N 1 1 313.228 3.996 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000472581113 339374228 /nfs/dbraw/zinc/37/42/28/339374228.db2.gz MEAGTRNLVJTDOQ-JKSUJKDBSA-N 1 1 324.262 3.913 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000472766885 339377197 /nfs/dbraw/zinc/37/71/97/339377197.db2.gz TZNZQHGVPYYZSV-CRAIPNDOSA-N 1 1 303.446 3.623 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc(Cl)cc1 ZINC000491230779 339854476 /nfs/dbraw/zinc/85/44/76/339854476.db2.gz OWZTVTMTUIUYHR-KRWDZBQOSA-N 1 1 310.784 3.684 20 30 DHEDMO C[C@@H]1C[C@@H](C)[N@@H+](CCCCC#N)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000496410035 340004840 /nfs/dbraw/zinc/00/48/40/340004840.db2.gz INYILKMBNRLERI-OAGGEKHMSA-N 1 1 323.481 3.551 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000498937631 340026734 /nfs/dbraw/zinc/02/67/34/340026734.db2.gz LCOBRRZQDFQEMW-GOSISDBHSA-N 1 1 305.441 3.548 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000499065072 340029027 /nfs/dbraw/zinc/02/90/27/340029027.db2.gz OZPYLGOMCLHDKS-HOTGVXAUSA-N 1 1 320.502 3.916 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000499065072 340029028 /nfs/dbraw/zinc/02/90/28/340029028.db2.gz OZPYLGOMCLHDKS-HOTGVXAUSA-N 1 1 320.502 3.916 20 30 DHEDMO CC[N@@H+](CCc1cccs1)Cc1ccc(C#N)cc1OC ZINC000501200761 340076128 /nfs/dbraw/zinc/07/61/28/340076128.db2.gz BEIJDIAGHHUFQV-UHFFFAOYSA-N 1 1 300.427 3.693 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000501239622 340076931 /nfs/dbraw/zinc/07/69/31/340076931.db2.gz LHDTVDCHKMBJJU-FQEVSTJZSA-N 1 1 306.409 3.730 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000501378964 340079599 /nfs/dbraw/zinc/07/95/99/340079599.db2.gz ZDSZUFJBAJIUCB-AWEZNQCLSA-N 1 1 308.853 3.585 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000501378964 340079600 /nfs/dbraw/zinc/07/96/00/340079600.db2.gz ZDSZUFJBAJIUCB-AWEZNQCLSA-N 1 1 308.853 3.585 20 30 DHEDMO C=CCC(C)(C)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000501604508 340084854 /nfs/dbraw/zinc/08/48/54/340084854.db2.gz HYYXITNWROWIOL-HXUWFJFHSA-N 1 1 314.473 3.760 20 30 DHEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)[C@@H](C)CN1Cc1ccccc1 ZINC000501779308 340088485 /nfs/dbraw/zinc/08/84/85/340088485.db2.gz VYVIBORJNYUOBF-ROUUACIJSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CCCC(C)(C)C#N ZINC000501779308 340088486 /nfs/dbraw/zinc/08/84/86/340088486.db2.gz VYVIBORJNYUOBF-ROUUACIJSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCCC(C)(C)C#N ZINC000501779308 340088487 /nfs/dbraw/zinc/08/84/87/340088487.db2.gz VYVIBORJNYUOBF-ROUUACIJSA-N 1 1 313.489 3.911 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)CCOc2ccccc2C#N)cc1 ZINC000502670973 340109973 /nfs/dbraw/zinc/10/99/73/340109973.db2.gz VOIMWAQUBMKIQA-UHFFFAOYSA-N 1 1 324.424 3.510 20 30 DHEDMO C=CC[N@@H+](CCOCC)Cc1cc(Br)ccc1F ZINC000502677159 340110092 /nfs/dbraw/zinc/11/00/92/340110092.db2.gz FEFQSMHGYOQYPA-UHFFFAOYSA-N 1 1 316.214 3.613 20 30 DHEDMO C=CC[N@H+](CCOCC)Cc1cc(Br)ccc1F ZINC000502677159 340110093 /nfs/dbraw/zinc/11/00/93/340110093.db2.gz FEFQSMHGYOQYPA-UHFFFAOYSA-N 1 1 316.214 3.613 20 30 DHEDMO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000503052041 340119743 /nfs/dbraw/zinc/11/97/43/340119743.db2.gz RCKDBHCZTOQOLT-KRWDZBQOSA-N 1 1 300.402 3.999 20 30 DHEDMO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000503052041 340119744 /nfs/dbraw/zinc/11/97/44/340119744.db2.gz RCKDBHCZTOQOLT-KRWDZBQOSA-N 1 1 300.402 3.999 20 30 DHEDMO Cc1cc(Nc2cnccc2C#N)c[nH+]c1N1CCCC[C@H]1C ZINC000503273803 340124455 /nfs/dbraw/zinc/12/44/55/340124455.db2.gz FFQIGKQIGPPMEN-CQSZACIVSA-N 1 1 307.401 3.779 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000505023019 340159095 /nfs/dbraw/zinc/15/90/95/340159095.db2.gz IRGKBTBOZBEVCJ-ZWKOTPCHSA-N 1 1 313.445 3.554 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000505023018 340159101 /nfs/dbraw/zinc/15/91/01/340159101.db2.gz IRGKBTBOZBEVCJ-ROUUACIJSA-N 1 1 313.445 3.554 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000505023231 340159193 /nfs/dbraw/zinc/15/91/93/340159193.db2.gz KMOOUIGPNPDNTB-CVEARBPZSA-N 1 1 315.461 3.752 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000505046321 340159958 /nfs/dbraw/zinc/15/99/58/340159958.db2.gz RTXRIVHLXXSIOP-SJORKVTESA-N 1 1 313.445 3.554 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NCC[N@H+](CC)C(C)C ZINC000505057810 340160188 /nfs/dbraw/zinc/16/01/88/340160188.db2.gz LWXJKQHJKVPRIG-UHFFFAOYSA-N 1 1 303.450 3.657 20 30 DHEDMO C[N@@H+](CCOc1ccccc1Cl)Cc1cc(C#N)cs1 ZINC000506163411 340187330 /nfs/dbraw/zinc/18/73/30/340187330.db2.gz DLQXBOVKWSDLIW-UHFFFAOYSA-N 1 1 306.818 3.784 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1C(=O)OC ZINC000508599167 340247373 /nfs/dbraw/zinc/24/73/73/340247373.db2.gz KYWGHYZWJWHRNL-UHFFFAOYSA-N 1 1 322.408 3.757 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000509007478 340257927 /nfs/dbraw/zinc/25/79/27/340257927.db2.gz RUROKLQFZLCRIK-MRXNPFEDSA-N 1 1 312.413 3.593 20 30 DHEDMO N#Cc1csc(CN2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000510178498 340291793 /nfs/dbraw/zinc/29/17/93/340291793.db2.gz ZDJOCOHFHGZNEA-UHFFFAOYSA-N 1 1 317.502 3.708 20 30 DHEDMO C=C(C)C[N@H+](CCO[C@H]1CCCC[C@@H]1C)Cc1ccc(CO)o1 ZINC000512197532 340351845 /nfs/dbraw/zinc/35/18/45/340351845.db2.gz RAVDCQJPVQMGNY-LPHOPBHVSA-N 1 1 321.461 3.745 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ccccc1-c1ccnn1C ZINC000512253183 340354232 /nfs/dbraw/zinc/35/42/32/340354232.db2.gz OEMFIOGKGKWMIF-UHFFFAOYSA-N 1 1 321.424 3.911 20 30 DHEDMO CC(C)C[N@H+]1CCCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000512610627 340369014 /nfs/dbraw/zinc/36/90/14/340369014.db2.gz CROXNOXLZAMMPV-WBVHZDCISA-N 1 1 317.452 3.858 20 30 DHEDMO CC(C)CN1CCCC[C@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512610627 340369015 /nfs/dbraw/zinc/36/90/15/340369015.db2.gz CROXNOXLZAMMPV-WBVHZDCISA-N 1 1 317.452 3.858 20 30 DHEDMO C[C@H]([NH2+]CCN1[C@H](C)CCC[C@H]1C)c1ccc(C#N)cc1F ZINC000512666195 340372103 /nfs/dbraw/zinc/37/21/03/340372103.db2.gz JFCKDTJZWSOXEA-KFWWJZLASA-N 1 1 303.425 3.611 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Br)cc1F ZINC000513094100 340393079 /nfs/dbraw/zinc/39/30/79/340393079.db2.gz GIYGXEXFBSERET-SECBINFHSA-N 1 1 323.165 3.904 20 30 DHEDMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1ccc(CC#N)cc1 ZINC000543140182 341033815 /nfs/dbraw/zinc/03/38/15/341033815.db2.gz UOBZTTAZHVDSQS-UHFFFAOYSA-N 1 1 314.816 3.917 20 30 DHEDMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000543206655 341036771 /nfs/dbraw/zinc/03/67/71/341036771.db2.gz YIGWUPBVNGZCAU-HXUWFJFHSA-N 1 1 306.409 3.635 20 30 DHEDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000543206655 341036772 /nfs/dbraw/zinc/03/67/72/341036772.db2.gz YIGWUPBVNGZCAU-HXUWFJFHSA-N 1 1 306.409 3.635 20 30 DHEDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000152627534 341076538 /nfs/dbraw/zinc/07/65/38/341076538.db2.gz HHVGJVNIUHDGHT-OXJNMPFZSA-N 1 1 320.436 3.961 20 30 DHEDMO C[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1(C)C ZINC000544781251 341093706 /nfs/dbraw/zinc/09/37/06/341093706.db2.gz MBAYCVRPYRBVEH-LBPRGKRZSA-N 1 1 319.836 3.518 20 30 DHEDMO C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1(C)C ZINC000544781251 341093707 /nfs/dbraw/zinc/09/37/07/341093707.db2.gz MBAYCVRPYRBVEH-LBPRGKRZSA-N 1 1 319.836 3.518 20 30 DHEDMO CC(C)(C#N)CC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000131770315 341111410 /nfs/dbraw/zinc/11/14/10/341111410.db2.gz KMQYHEIJMNHSRC-GOSISDBHSA-N 1 1 300.446 3.688 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OC(F)F ZINC000073615732 341119221 /nfs/dbraw/zinc/11/92/21/341119221.db2.gz PBRUMUMUNAOVSZ-UHFFFAOYSA-N 1 1 302.324 3.792 20 30 DHEDMO CCOCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000132453108 341123570 /nfs/dbraw/zinc/12/35/70/341123570.db2.gz NEZCHXHGOATEDI-UHFFFAOYSA-N 1 1 312.388 3.736 20 30 DHEDMO CC1CCC([N@@H+](CCCSCC#N)C[C@H]2CCCO2)CC1 ZINC000074991613 341159173 /nfs/dbraw/zinc/15/91/73/341159173.db2.gz CWKXIFKCZUHXFO-OFLPRAFFSA-N 1 1 310.507 3.693 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000075864181 341186545 /nfs/dbraw/zinc/18/65/45/341186545.db2.gz DIXYSXSPGVAVAF-FQEVSTJZSA-N 1 1 306.409 3.597 20 30 DHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCc1cccc(C#N)c1 ZINC000237132636 341207863 /nfs/dbraw/zinc/20/78/63/341207863.db2.gz BVOKPYKJARKQRY-UHFFFAOYSA-N 1 1 321.468 3.806 20 30 DHEDMO CN(Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccc(C#N)c1 ZINC000237132636 341207864 /nfs/dbraw/zinc/20/78/64/341207864.db2.gz BVOKPYKJARKQRY-UHFFFAOYSA-N 1 1 321.468 3.806 20 30 DHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(C#N)c2)C1 ZINC000135110568 341231224 /nfs/dbraw/zinc/23/12/24/341231224.db2.gz CVKPEHKXNFBCMY-HOTGVXAUSA-N 1 1 304.459 3.673 20 30 DHEDMO CC(C)[N@H+]1CC[C@@H](CNc2cc(C#N)ccc2C(F)(F)F)C1 ZINC000548445552 341261161 /nfs/dbraw/zinc/26/11/61/341261161.db2.gz OERRTPTXZYMUKC-ZDUSSCGKSA-N 1 1 311.351 3.719 20 30 DHEDMO C=CCN(Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000564355386 341270800 /nfs/dbraw/zinc/27/08/00/341270800.db2.gz JUDAUEGAFVJXSD-NRFANRHFSA-N 1 1 306.453 3.949 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000564355386 341270802 /nfs/dbraw/zinc/27/08/02/341270802.db2.gz JUDAUEGAFVJXSD-NRFANRHFSA-N 1 1 306.453 3.949 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000081014437 341278000 /nfs/dbraw/zinc/27/80/00/341278000.db2.gz UHUIMODJNWMJKM-FQEVSTJZSA-N 1 1 305.425 3.659 20 30 DHEDMO Cc1cc(Br)cc2c1C[N@@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000549535930 341296692 /nfs/dbraw/zinc/29/66/92/341296692.db2.gz MDIGQFJHSSGVPJ-WFASDCNBSA-N 1 1 319.246 3.808 20 30 DHEDMO Cc1cc(Br)cc2c1C[N@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000549535930 341296693 /nfs/dbraw/zinc/29/66/93/341296693.db2.gz MDIGQFJHSSGVPJ-WFASDCNBSA-N 1 1 319.246 3.808 20 30 DHEDMO C=CCOCC[N@H+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000549718181 341301261 /nfs/dbraw/zinc/30/12/61/341301261.db2.gz ZXHYJSMHPAPQDG-ZDUSSCGKSA-N 1 1 301.352 3.771 20 30 DHEDMO CC#CC[N@H+](C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000550491923 341317723 /nfs/dbraw/zinc/31/77/23/341317723.db2.gz WKRNBPVXSRPURQ-UHFFFAOYSA-N 1 1 315.848 3.657 20 30 DHEDMO CC#CC[N@@H+](C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000550491923 341317724 /nfs/dbraw/zinc/31/77/24/341317724.db2.gz WKRNBPVXSRPURQ-UHFFFAOYSA-N 1 1 315.848 3.657 20 30 DHEDMO COc1ccc(C[C@@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)cc1 ZINC000552272371 341382643 /nfs/dbraw/zinc/38/26/43/341382643.db2.gz MKIQVYZFTVQBSK-INIZCTEOSA-N 1 1 310.397 3.615 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000249091970 341393696 /nfs/dbraw/zinc/39/36/96/341393696.db2.gz DKJJYWVGEZELEU-QRWLVFNGSA-N 1 1 304.393 3.751 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)s1 ZINC000552488295 341396134 /nfs/dbraw/zinc/39/61/34/341396134.db2.gz YUMURCMWULYMFE-GFCCVEGCSA-N 1 1 316.451 3.919 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)s1 ZINC000552488295 341396135 /nfs/dbraw/zinc/39/61/35/341396135.db2.gz YUMURCMWULYMFE-GFCCVEGCSA-N 1 1 316.451 3.919 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1cccs1 ZINC000249312390 341396303 /nfs/dbraw/zinc/39/63/03/341396303.db2.gz IWMCRVPWEDAVMA-CABCVRRESA-N 1 1 306.475 3.698 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000249413003 341397440 /nfs/dbraw/zinc/39/74/40/341397440.db2.gz YJCBYWOEAKKNQL-ZTNFWEORSA-N 1 1 309.457 3.568 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000249413003 341397445 /nfs/dbraw/zinc/39/74/45/341397445.db2.gz YJCBYWOEAKKNQL-ZTNFWEORSA-N 1 1 309.457 3.568 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000249413003 341397446 /nfs/dbraw/zinc/39/74/46/341397446.db2.gz YJCBYWOEAKKNQL-ZTNFWEORSA-N 1 1 309.457 3.568 20 30 DHEDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000189963531 520063641 /nfs/dbraw/zinc/06/36/41/520063641.db2.gz LGHLIBXMHWQZBU-MAUKXSAKSA-N 1 1 323.444 3.671 20 30 DHEDMO CC1CCC([N@@H+](CC(=O)Nc2ccc(C#N)cc2)C2CC2)CC1 ZINC000339218524 520938027 /nfs/dbraw/zinc/93/80/27/520938027.db2.gz SJDQGYYKTCGXTK-UHFFFAOYSA-N 1 1 311.429 3.540 20 30 DHEDMO CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@@H]1CCCc2cccnc21 ZINC000365003910 521285803 /nfs/dbraw/zinc/28/58/03/521285803.db2.gz RUXAXWSJBZHZTJ-GOSISDBHSA-N 1 1 321.424 3.861 20 30 DHEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCCc2cccnc21 ZINC000365009578 521316274 /nfs/dbraw/zinc/31/62/74/521316274.db2.gz PNAHHEORNKJIDM-SFHVURJKSA-N 1 1 309.388 3.992 20 30 DHEDMO CCC[N@H+](Cc1c(C)nn(C)c1Cl)Cc1ccc(C#N)cc1 ZINC000263865882 521680166 /nfs/dbraw/zinc/68/01/66/521680166.db2.gz CBNZTXJNVFICHC-UHFFFAOYSA-N 1 1 316.836 3.666 20 30 DHEDMO CCC[N@@H+](Cc1c(C)nn(C)c1Cl)Cc1ccc(C#N)cc1 ZINC000263865882 521680167 /nfs/dbraw/zinc/68/01/67/521680167.db2.gz CBNZTXJNVFICHC-UHFFFAOYSA-N 1 1 316.836 3.666 20 30 DHEDMO C[NH+](C)Cc1cc(NC(=O)c2ccc(C#N)s2)ccc1Cl ZINC000337244989 521892103 /nfs/dbraw/zinc/89/21/03/521892103.db2.gz IPDHFOQWMDXUCS-UHFFFAOYSA-N 1 1 319.817 3.587 20 30 DHEDMO C[NH+](C)Cc1cc(NC(=O)c2ccc(C#N)cc2)ccc1Cl ZINC000337235906 521893690 /nfs/dbraw/zinc/89/36/90/521893690.db2.gz BCFVSOODVJHWPY-UHFFFAOYSA-N 1 1 313.788 3.526 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c(OC)c1 ZINC000189347632 524010259 /nfs/dbraw/zinc/01/02/59/524010259.db2.gz BESOLBUWVRMXFI-CQSZACIVSA-N 1 1 310.397 3.768 20 30 DHEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1OC ZINC000179939672 524327696 /nfs/dbraw/zinc/32/76/96/524327696.db2.gz HLXXCDVFGFJZET-GFCCVEGCSA-N 1 1 314.360 3.565 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1cccc(C#N)c1 ZINC000181755656 525522836 /nfs/dbraw/zinc/52/28/36/525522836.db2.gz DTZSKDUYFUKZMS-CQSZACIVSA-N 1 1 311.404 3.610 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+](C)[C@H]2CCCC[C@H]2C)c(C#N)c1C ZINC000246107999 526880945 /nfs/dbraw/zinc/88/09/45/526880945.db2.gz BPIHBASDWVXBKE-ABAIWWIYSA-N 1 1 319.474 3.686 20 30 DHEDMO C=CC[NH+]1CCN(c2cc(-c3ccccc3)cc(Cl)n2)CC1 ZINC001165031694 721866836 /nfs/dbraw/zinc/86/68/36/721866836.db2.gz QRMHYZARXSZNSQ-UHFFFAOYSA-N 1 1 313.832 3.710 20 30 DHEDMO C=CC[NH+]1CCN(c2cc(Cl)nc3c(C)csc32)CC1 ZINC001165032507 721869063 /nfs/dbraw/zinc/86/90/63/721869063.db2.gz WCGDFRIMMVTJSX-UHFFFAOYSA-N 1 1 307.850 3.566 20 30 DHEDMO C=CCCCCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001573334205 947450168 /nfs/dbraw/zinc/45/01/68/947450168.db2.gz BBUXIXUEKBGWTH-UHFFFAOYSA-N 1 1 311.433 3.578 20 30 DHEDMO C=CCCCC[N@H+]1CCc2c(c(COCC)nn2CC2CC2)C1 ZINC001209200068 1013079761 /nfs/dbraw/zinc/07/97/61/1013079761.db2.gz FZSUOPWZZNBXQT-UHFFFAOYSA-N 1 1 317.477 3.544 20 30 DHEDMO C=C(C)CN(C)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000180410278 1013084513 /nfs/dbraw/zinc/08/45/13/1013084513.db2.gz ILPDRJXOJUSJEZ-UHFFFAOYSA-N 1 1 322.452 3.967 20 30 DHEDMO C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CC[C@H]1C(=O)OC(C)(C)C ZINC000931177601 1032061672 /nfs/dbraw/zinc/06/16/72/1032061672.db2.gz IPVPIMXTKRUBMF-ZGRYLRDCSA-N 1 1 320.477 3.616 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1cc(C#N)ccn1 ZINC000339971486 1013180594 /nfs/dbraw/zinc/18/05/94/1013180594.db2.gz YHBSCRJBFKHEON-INIZCTEOSA-N 1 1 320.440 3.940 20 30 DHEDMO CC1(C)CN(c2cccc(F)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000383113023 1013195770 /nfs/dbraw/zinc/19/57/70/1013195770.db2.gz QTUUPUMKIHAVMJ-UHFFFAOYSA-N 1 1 323.415 3.798 20 30 DHEDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cn2)cc1 ZINC000519060399 1013267681 /nfs/dbraw/zinc/26/76/81/1013267681.db2.gz ILIIMZFVVORKKV-IBGZPJMESA-N 1 1 307.397 3.689 20 30 DHEDMO C=C(C)CN(CC)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000043307606 1013298864 /nfs/dbraw/zinc/29/88/64/1013298864.db2.gz TYKGQSPEYNDSFJ-INIZCTEOSA-N 1 1 323.868 3.550 20 30 DHEDMO C=C(C)CN(CC)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000043307607 1013299437 /nfs/dbraw/zinc/29/94/37/1013299437.db2.gz TYKGQSPEYNDSFJ-MRXNPFEDSA-N 1 1 323.868 3.550 20 30 DHEDMO C#CC[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)[C@@H]1CCc2ccccc21 ZINC001167178832 1013362012 /nfs/dbraw/zinc/36/20/12/1013362012.db2.gz MEVJBKZBROBVQP-BVPBIZIASA-N 1 1 301.380 3.900 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894583443 1013426701 /nfs/dbraw/zinc/42/67/01/1013426701.db2.gz AJJASMRMRJHJHN-OLZOCXBDSA-N 1 1 318.408 3.575 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000076989624 1013456203 /nfs/dbraw/zinc/45/62/03/1013456203.db2.gz FLCIEHOFMBKUPD-GDBMZVCRSA-N 1 1 306.475 3.698 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2nc(-c3ccccn3)no2)CCCC1(C)C ZINC000683528246 1013588925 /nfs/dbraw/zinc/58/89/25/1013588925.db2.gz FKHMPOPUVPIAJP-OAHLLOKOSA-N 1 1 312.417 3.698 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000441009212 1013652502 /nfs/dbraw/zinc/65/25/02/1013652502.db2.gz CZHDMPOZANMEPN-HXUWFJFHSA-N 1 1 308.400 3.754 20 30 DHEDMO C[C@H](O)C[N@@H+](CC#Cc1ccccc1Cl)C1CCCCC1 ZINC000441153560 1013675825 /nfs/dbraw/zinc/67/58/25/1013675825.db2.gz ZLQUPOMCSLYWOO-HNNXBMFYSA-N 1 1 305.849 3.707 20 30 DHEDMO Cc1cccc(C[N@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000441203837 1013688936 /nfs/dbraw/zinc/68/89/36/1013688936.db2.gz MMPHMBPOMDHSFK-UHFFFAOYSA-N 1 1 318.380 3.549 20 30 DHEDMO Cc1cccc(C[N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)c1 ZINC000441203837 1013688941 /nfs/dbraw/zinc/68/89/41/1013688941.db2.gz MMPHMBPOMDHSFK-UHFFFAOYSA-N 1 1 318.380 3.549 20 30 DHEDMO Cc1ccnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1C#N ZINC000343509765 1013722300 /nfs/dbraw/zinc/72/23/00/1013722300.db2.gz LAJAUFFXKZDYHI-VQIMIIECSA-N 1 1 320.440 3.584 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000520381854 1013726851 /nfs/dbraw/zinc/72/68/51/1013726851.db2.gz KDXKQUKPTXBKPP-LJQANCHMSA-N 1 1 312.457 3.641 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1C[C@@]1(C)Br ZINC000895018927 1013777349 /nfs/dbraw/zinc/77/73/49/1013777349.db2.gz VJZIAAKYJZTPSZ-BYCMXARLSA-N 1 1 307.235 3.725 20 30 DHEDMO CC1(C)CCC[N@@H+](CCNC(=O)c2coc(C3CCCC3)n2)C1 ZINC000328744754 1013795413 /nfs/dbraw/zinc/79/54/13/1013795413.db2.gz KPSAKSNJEJTKFQ-UHFFFAOYSA-N 1 1 319.449 3.759 20 30 DHEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1coc(C2CCCC2)n1 ZINC000328770855 1013797334 /nfs/dbraw/zinc/79/73/34/1013797334.db2.gz RBOFJBCSDMYNCZ-CQSZACIVSA-N 1 1 305.422 3.511 20 30 DHEDMO Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc2n[nH]cc21 ZINC000328993719 1013810726 /nfs/dbraw/zinc/81/07/26/1013810726.db2.gz GDOAUCBLJHYJKU-KRWDZBQOSA-N 1 1 312.417 3.866 20 30 DHEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc(C#N)c2)C1 ZINC000330689012 1013832166 /nfs/dbraw/zinc/83/21/66/1013832166.db2.gz XKJBOXIHWIOHGT-OAHLLOKOSA-N 1 1 313.445 3.763 20 30 DHEDMO CC[N@@H+](CCC1CC[NH+](Cc2ccc(C#N)o2)CC1)CC(C)C ZINC000579175213 1013927208 /nfs/dbraw/zinc/92/72/08/1013927208.db2.gz NMLKQDIVXPQURA-UHFFFAOYSA-N 1 1 317.477 3.731 20 30 DHEDMO CC[N@H+](CCC1CCN(Cc2ccc(C#N)o2)CC1)CC(C)C ZINC000579175213 1013927211 /nfs/dbraw/zinc/92/72/11/1013927211.db2.gz NMLKQDIVXPQURA-UHFFFAOYSA-N 1 1 317.477 3.731 20 30 DHEDMO CC[N@@H+](CCC1CCN(Cc2ccc(C#N)o2)CC1)CC(C)C ZINC000579175213 1013927213 /nfs/dbraw/zinc/92/72/13/1013927213.db2.gz NMLKQDIVXPQURA-UHFFFAOYSA-N 1 1 317.477 3.731 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)CC1(Br)CC1 ZINC000846770842 1032077440 /nfs/dbraw/zinc/07/74/40/1032077440.db2.gz DLWFBOOBCMQMIK-UHFFFAOYSA-N 1 1 307.235 3.698 20 30 DHEDMO CCC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000580136901 1014040606 /nfs/dbraw/zinc/04/06/06/1014040606.db2.gz SSJFYFONXOEVQD-KZNAEPCWSA-N 1 1 316.420 3.723 20 30 DHEDMO COCC[N@@H+](Cc1ccccc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000160443277 1014071788 /nfs/dbraw/zinc/07/17/88/1014071788.db2.gz SRAALSWXYOLKBG-KRWDZBQOSA-N 1 1 324.424 3.626 20 30 DHEDMO CCN(Cc1ccc(C#N)o1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000119021675 1014093980 /nfs/dbraw/zinc/09/39/80/1014093980.db2.gz NEYCYKBLSXCBFV-FUHWJXTLSA-N 1 1 323.440 3.809 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000683889869 1014094088 /nfs/dbraw/zinc/09/40/88/1014094088.db2.gz RYTBPXYDZJFBDQ-YOEHRIQHSA-N 1 1 302.393 3.803 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2cc(Cl)cn2C)cc1 ZINC000091930772 1014107887 /nfs/dbraw/zinc/10/78/87/1014107887.db2.gz MADCYBVFXRCHKC-CYBMUJFWSA-N 1 1 317.820 3.601 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000175818530 1014155232 /nfs/dbraw/zinc/15/52/32/1014155232.db2.gz FNVSPGZYWLGFFI-SJORKVTESA-N 1 1 312.438 3.708 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2csc(C(=O)OCC)n2)CCCC1(C)C ZINC000580518102 1014191439 /nfs/dbraw/zinc/19/14/39/1014191439.db2.gz LLLVCNHNCMOYIB-CQSZACIVSA-N 1 1 322.474 3.887 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2csc(C(=O)OCC)n2)CCCC1(C)C ZINC000580518102 1014191442 /nfs/dbraw/zinc/19/14/42/1014191442.db2.gz LLLVCNHNCMOYIB-CQSZACIVSA-N 1 1 322.474 3.887 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCc3nc[nH]c3C23CCC3)cc1 ZINC000895068602 1014238147 /nfs/dbraw/zinc/23/81/47/1014238147.db2.gz HVYHMBIIUQVJPN-UHFFFAOYSA-N 1 1 320.440 3.648 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)nc1 ZINC000846805550 1032088614 /nfs/dbraw/zinc/08/86/14/1032088614.db2.gz YPBBAQSEXSTESD-UHFFFAOYSA-N 1 1 307.397 3.604 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000328748989 1014316703 /nfs/dbraw/zinc/31/67/03/1014316703.db2.gz BKZBMFJQQJGYFL-GFCCVEGCSA-N 1 1 317.389 3.520 20 30 DHEDMO CC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccc1OC(F)F ZINC000127789442 1014500053 /nfs/dbraw/zinc/50/00/53/1014500053.db2.gz PIPNLYNZLYIZIK-GXTWGEPZSA-N 1 1 307.344 3.772 20 30 DHEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CCC#N)c1ccc(C)cc1 ZINC000843777762 1014591091 /nfs/dbraw/zinc/59/10/91/1014591091.db2.gz NHXQBEHTWXOUHS-INIZCTEOSA-N 1 1 324.428 3.652 20 30 DHEDMO C=C1CC[NH+](CC(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000521252441 1014673513 /nfs/dbraw/zinc/67/35/13/1014673513.db2.gz KEVOCXHBDALDHS-INIZCTEOSA-N 1 1 308.425 3.669 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000276094388 1014675555 /nfs/dbraw/zinc/67/55/55/1014675555.db2.gz DHRMUCDVHXAHEI-ILZDJORESA-N 1 1 314.473 3.616 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC001167452973 1014680247 /nfs/dbraw/zinc/68/02/47/1014680247.db2.gz GZQMSADNAQCLHJ-INIZCTEOSA-N 1 1 308.425 3.938 20 30 DHEDMO Cc1csc(C[C@H]2CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000933132053 1014689698 /nfs/dbraw/zinc/68/96/98/1014689698.db2.gz YSSICRFMGFZVQU-GOEBONIOSA-N 1 1 311.454 3.949 20 30 DHEDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000581356199 1014736238 /nfs/dbraw/zinc/73/62/38/1014736238.db2.gz ANPGSTONEHEXFK-OXQOHEQNSA-N 1 1 320.436 3.818 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001167457966 1014773825 /nfs/dbraw/zinc/77/38/25/1014773825.db2.gz NUDRDGNHPPTJFV-JKSUJKDBSA-N 1 1 323.481 3.551 20 30 DHEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000121327989 1014797897 /nfs/dbraw/zinc/79/78/97/1014797897.db2.gz ADBKAEBGJADJKK-HNNXBMFYSA-N 1 1 310.397 3.924 20 30 DHEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000121327989 1014797910 /nfs/dbraw/zinc/79/79/10/1014797910.db2.gz ADBKAEBGJADJKK-HNNXBMFYSA-N 1 1 310.397 3.924 20 30 DHEDMO C=CCOc1ccc(CNCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000521817686 1014807274 /nfs/dbraw/zinc/80/72/74/1014807274.db2.gz LKEUJQAUIADFEC-ROUUACIJSA-N 1 1 316.489 3.709 20 30 DHEDMO C#CC[NH+](CC#C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC001167464438 1014878167 /nfs/dbraw/zinc/87/81/67/1014878167.db2.gz LTVBYSOZSPTIEB-QGZVFWFLSA-N 1 1 316.404 3.568 20 30 DHEDMO CCn1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(-c2ccccc2)n1 ZINC000895227819 1014956603 /nfs/dbraw/zinc/95/66/03/1014956603.db2.gz DQTLYPDRORMHPC-INIZCTEOSA-N 1 1 308.429 3.696 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(OC(F)F)c1 ZINC000064993078 1015084069 /nfs/dbraw/zinc/08/40/69/1015084069.db2.gz VJLPIKJLJRHGEG-UHFFFAOYSA-N 1 1 302.324 3.792 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CCCC(=O)Nc2ccccc2C(C)=O)C1 ZINC000625703873 1015158445 /nfs/dbraw/zinc/15/84/45/1015158445.db2.gz UVKOBZWLKMMSTA-MRXNPFEDSA-N 1 1 314.429 3.506 20 30 DHEDMO N#Cc1cccc(OCCC[N@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000477270706 1015166240 /nfs/dbraw/zinc/16/62/40/1015166240.db2.gz HXTIDLKTSFRUGQ-ROUUACIJSA-N 1 1 316.470 3.687 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC000895562285 1015204149 /nfs/dbraw/zinc/20/41/49/1015204149.db2.gz CLLJMGJMYIMJCX-ZDUSSCGKSA-N 1 1 320.458 3.940 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126752187 1015218301 /nfs/dbraw/zinc/21/83/01/1015218301.db2.gz FBSOAZBECXRGGZ-AUUYWEPGSA-N 1 1 310.372 3.659 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000126752187 1015218308 /nfs/dbraw/zinc/21/83/08/1015218308.db2.gz FBSOAZBECXRGGZ-AUUYWEPGSA-N 1 1 310.372 3.659 20 30 DHEDMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000895667445 1015251509 /nfs/dbraw/zinc/25/15/09/1015251509.db2.gz NYGYEFROGFJDOJ-UHFFFAOYSA-N 1 1 322.456 3.705 20 30 DHEDMO C[N@@H+](CCCOCc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000399056568 1015313229 /nfs/dbraw/zinc/31/32/29/1015313229.db2.gz AHSQPSGJQFDMAO-UHFFFAOYSA-N 1 1 308.425 3.791 20 30 DHEDMO CCCOc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000127295076 1015325976 /nfs/dbraw/zinc/32/59/76/1015325976.db2.gz DDELMWXMHDGTQU-UHFFFAOYSA-N 1 1 324.424 3.988 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3cc(C#N)ccc3OC)C2)cc1 ZINC000157937417 1015326577 /nfs/dbraw/zinc/32/65/77/1015326577.db2.gz HPPYNGFJTSZITC-KRWDZBQOSA-N 1 1 322.408 3.565 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccnn2C2CCC2)C2CC2)cc1 ZINC000891596780 1015434464 /nfs/dbraw/zinc/43/44/64/1015434464.db2.gz XBOAHMLOJVWNRS-UHFFFAOYSA-N 1 1 306.413 3.644 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2ccnn2C2CCC2)C2CC2)cc1 ZINC000891596780 1015434468 /nfs/dbraw/zinc/43/44/68/1015434468.db2.gz XBOAHMLOJVWNRS-UHFFFAOYSA-N 1 1 306.413 3.644 20 30 DHEDMO N#CCSCCC[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084132899 1015511964 /nfs/dbraw/zinc/51/19/64/1015511964.db2.gz GKEYZLUJAZFOBO-UHFFFAOYSA-N 1 1 315.269 3.998 20 30 DHEDMO N#CCSCCC[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084132899 1015511974 /nfs/dbraw/zinc/51/19/74/1015511974.db2.gz GKEYZLUJAZFOBO-UHFFFAOYSA-N 1 1 315.269 3.998 20 30 DHEDMO CCn1cc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c(C)n1 ZINC000891685258 1015526658 /nfs/dbraw/zinc/52/66/58/1015526658.db2.gz WMTINVKHCYOAGK-UHFFFAOYSA-N 1 1 310.445 3.741 20 30 DHEDMO C[C@H]1CCCC[N@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141895032 1015597187 /nfs/dbraw/zinc/59/71/87/1015597187.db2.gz YQONCFYEGHMNSU-LBPRGKRZSA-N 1 1 307.235 3.943 20 30 DHEDMO C[C@H]1CCCC[N@@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141895032 1015597194 /nfs/dbraw/zinc/59/71/94/1015597194.db2.gz YQONCFYEGHMNSU-LBPRGKRZSA-N 1 1 307.235 3.943 20 30 DHEDMO COc1nc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)cc2s1 ZINC000329090605 1015637918 /nfs/dbraw/zinc/63/79/18/1015637918.db2.gz JCISVRVNVKWLAK-ZDUSSCGKSA-N 1 1 317.414 3.520 20 30 DHEDMO CCc1onc(C)c1C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000329121969 1015643085 /nfs/dbraw/zinc/64/30/85/1015643085.db2.gz WLORVRSTWQXULN-UHFFFAOYSA-N 1 1 319.449 3.528 20 30 DHEDMO COCC[C@H](c1ccccc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933773121 1015662814 /nfs/dbraw/zinc/66/28/14/1015662814.db2.gz CUYRDOYDCKVCQG-QGZVFWFLSA-N 1 1 300.427 3.829 20 30 DHEDMO Cc1noc(C)c1[C@H](C)CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000329404665 1015698477 /nfs/dbraw/zinc/69/84/77/1015698477.db2.gz ZAGQLHYEFKFQLZ-IUODEOHRSA-N 1 1 307.438 3.616 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1OC(C)C ZINC000127388679 1015694280 /nfs/dbraw/zinc/69/42/80/1015694280.db2.gz GIZBWWHRPDVZDL-UHFFFAOYSA-N 1 1 324.424 3.986 20 30 DHEDMO C=CCC[C@@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000558618077 1015721704 /nfs/dbraw/zinc/72/17/04/1015721704.db2.gz NTXBNUHXWKUFEK-SJLPKXTDSA-N 1 1 302.462 3.581 20 30 DHEDMO COc1cccc([C@@H](C)[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000341813273 1015746903 /nfs/dbraw/zinc/74/69/03/1015746903.db2.gz JRQUSURHBRCFDZ-FOIQADDNSA-N 1 1 322.408 3.701 20 30 DHEDMO COc1cccc([C@@H](C)[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000341813273 1015746910 /nfs/dbraw/zinc/74/69/10/1015746910.db2.gz JRQUSURHBRCFDZ-FOIQADDNSA-N 1 1 322.408 3.701 20 30 DHEDMO Cc1cc(C#N)cc(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000341824058 1015756885 /nfs/dbraw/zinc/75/68/85/1015756885.db2.gz NUUOMVMCURGTOV-CRAIPNDOSA-N 1 1 306.413 3.509 20 30 DHEDMO Cc1cc(C#N)cc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000341824062 1015757104 /nfs/dbraw/zinc/75/71/04/1015757104.db2.gz NUUOMVMCURGTOV-YJBOKZPZSA-N 1 1 306.413 3.509 20 30 DHEDMO CC[N@@H+](C[C@H](O)CC1CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000475047954 1015803368 /nfs/dbraw/zinc/80/33/68/1015803368.db2.gz NTLSKKFISFCWBC-HNAYVOBHSA-N 1 1 300.446 3.882 20 30 DHEDMO CC[N@@H+](C[C@@H](O)CC1CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000475047955 1015804120 /nfs/dbraw/zinc/80/41/20/1015804120.db2.gz NTLSKKFISFCWBC-KXBFYZLASA-N 1 1 300.446 3.882 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1F ZINC000047739885 1015799452 /nfs/dbraw/zinc/79/94/52/1015799452.db2.gz CUBMUYINNITYCM-UHFFFAOYSA-N 1 1 307.372 3.981 20 30 DHEDMO C=C1CC[NH+](CC(=O)N[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000342000087 1015867579 /nfs/dbraw/zinc/86/75/79/1015867579.db2.gz YQTCZXATOJQXHH-SFHVURJKSA-N 1 1 300.446 3.542 20 30 DHEDMO C=CCn1c(=S)n(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)nc1C1CC1 ZINC000176190873 1015918928 /nfs/dbraw/zinc/91/89/28/1015918928.db2.gz RUOWWRWPEXIOJH-GASCZTMLSA-N 1 1 318.490 3.557 20 30 DHEDMO C=CCn1c(=S)n(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)nc1C1CC1 ZINC000176190873 1015918940 /nfs/dbraw/zinc/91/89/40/1015918940.db2.gz RUOWWRWPEXIOJH-GASCZTMLSA-N 1 1 318.490 3.557 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000610953395 1015962672 /nfs/dbraw/zinc/96/26/72/1015962672.db2.gz BBIFZIMXLMKOKH-HXUWFJFHSA-N 1 1 322.408 3.530 20 30 DHEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610993963 1015998205 /nfs/dbraw/zinc/99/82/05/1015998205.db2.gz OMLBLBQVMKKZFK-LJQANCHMSA-N 1 1 311.404 3.791 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000162915493 1016346302 /nfs/dbraw/zinc/34/63/02/1016346302.db2.gz NGBWAPSDHBPSJS-LBPRGKRZSA-N 1 1 302.727 3.986 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000162915493 1016346309 /nfs/dbraw/zinc/34/63/09/1016346309.db2.gz NGBWAPSDHBPSJS-LBPRGKRZSA-N 1 1 302.727 3.986 20 30 DHEDMO C=CCCn1cc(C[NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)nn1 ZINC000657347611 1016399926 /nfs/dbraw/zinc/39/99/26/1016399926.db2.gz CWZUYNVXCXGGEK-UHFFFAOYSA-N 1 1 323.444 3.551 20 30 DHEDMO Cc1nn(C(C)C)cc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000281500201 1016548159 /nfs/dbraw/zinc/54/81/59/1016548159.db2.gz GRSFIVNWBUXJJZ-UHFFFAOYSA-N 1 1 308.429 3.809 20 30 DHEDMO Cc1nn(C(C)C)cc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000281500201 1016548166 /nfs/dbraw/zinc/54/81/66/1016548166.db2.gz GRSFIVNWBUXJJZ-UHFFFAOYSA-N 1 1 308.429 3.809 20 30 DHEDMO CCC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000120038493 1016551004 /nfs/dbraw/zinc/55/10/04/1016551004.db2.gz MVTDACCQMDGHFX-MRXNPFEDSA-N 1 1 321.424 3.797 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC001167562776 1016578869 /nfs/dbraw/zinc/57/88/69/1016578869.db2.gz PXRTYZGQPGEFFS-HOTGVXAUSA-N 1 1 310.482 3.968 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000444013506 1016579519 /nfs/dbraw/zinc/57/95/19/1016579519.db2.gz XMBDOKHRKOHFPF-UHFFFAOYSA-N 1 1 308.425 3.815 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC001167562778 1016580213 /nfs/dbraw/zinc/58/02/13/1016580213.db2.gz PXRTYZGQPGEFFS-JKSUJKDBSA-N 1 1 310.482 3.968 20 30 DHEDMO C=CCC[C@@H]([NH2+]Cc1nnc(C)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000428323982 1016618970 /nfs/dbraw/zinc/61/89/70/1016618970.db2.gz KEIAGLQNGHRALT-CQSZACIVSA-N 1 1 324.350 3.929 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N(CC=C)Cc1cccs1 ZINC000346974456 1016668535 /nfs/dbraw/zinc/66/85/35/1016668535.db2.gz YKYMITNMIKZJCS-OAHLLOKOSA-N 1 1 306.475 3.549 20 30 DHEDMO N#Cc1cccc(CN2C[C@@H]3CCC[N@H+]3Cc3ccccc32)c1 ZINC000342528805 1016687575 /nfs/dbraw/zinc/68/75/75/1016687575.db2.gz WHFIROWWJGNDOC-IBGZPJMESA-N 1 1 303.409 3.543 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+][C@H](COc1ccccc1)c1ccccc1 ZINC000582416184 1016724991 /nfs/dbraw/zinc/72/49/91/1016724991.db2.gz ZMJQGYQZVBXGDV-FXAWDEMLSA-N 1 1 319.408 3.840 20 30 DHEDMO Cc1cc(C)c(C#N)c(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000342200568 1016777877 /nfs/dbraw/zinc/77/78/77/1016777877.db2.gz AQFZFZJJJUAKKX-WMZOPIPTSA-N 1 1 320.440 3.645 20 30 DHEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000072663609 1016778776 /nfs/dbraw/zinc/77/87/76/1016778776.db2.gz OUNIKXMYJCIERK-KYJSFNMBSA-N 1 1 311.429 3.540 20 30 DHEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2OC)cc1 ZINC000127723399 1016814065 /nfs/dbraw/zinc/81/40/65/1016814065.db2.gz MIZISFQZAITOAS-LJQANCHMSA-N 1 1 322.408 3.913 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1Cl ZINC000671312562 1016959848 /nfs/dbraw/zinc/95/98/48/1016959848.db2.gz SRFFQGVBGULFHV-SFHVURJKSA-N 1 1 321.848 3.907 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(CC#N)cc1)Cc1cccc(C#N)c1 ZINC000342673287 1016976005 /nfs/dbraw/zinc/97/60/05/1016976005.db2.gz VNGWCSZVUBPKMV-UHFFFAOYSA-N 1 1 301.393 3.813 20 30 DHEDMO C=C(C)CN1CCC([NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000623407422 1017024224 /nfs/dbraw/zinc/02/42/24/1017024224.db2.gz DHPQYHSFVAKDTQ-UHFFFAOYSA-N 1 1 318.408 3.897 20 30 DHEDMO C[C@@H]1C[C@@H](N2CCCC[C@H]2C#N)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168058022 1017045452 /nfs/dbraw/zinc/04/54/52/1017045452.db2.gz ALVMIYCOVDBNPE-HNJRGHQBSA-N 1 1 311.473 3.806 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000523009893 1017051178 /nfs/dbraw/zinc/05/11/78/1017051178.db2.gz NQPMHVSZIMOTEM-MRXNPFEDSA-N 1 1 310.441 3.915 20 30 DHEDMO C=CC(C)(C)CCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000623465995 1017058225 /nfs/dbraw/zinc/05/82/25/1017058225.db2.gz MLPWNOOYJPJQMQ-MRXNPFEDSA-N 1 1 309.498 3.543 20 30 DHEDMO C#C[C@H]1CCC[N@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000847020332 1032181467 /nfs/dbraw/zinc/18/14/67/1032181467.db2.gz AVONVMITCZBHTE-SFHVURJKSA-N 1 1 312.457 3.676 20 30 DHEDMO C=CCCNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000665629928 1017233322 /nfs/dbraw/zinc/23/33/22/1017233322.db2.gz SZDZEASBJNVXRS-UHFFFAOYSA-N 1 1 312.417 3.752 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000847032417 1032184271 /nfs/dbraw/zinc/18/42/71/1032184271.db2.gz STRAJRTWPMYWOU-QGZVFWFLSA-N 1 1 318.420 3.784 20 30 DHEDMO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000772960347 1032199955 /nfs/dbraw/zinc/19/99/55/1032199955.db2.gz RLONKCYJNWAZJQ-CYBMUJFWSA-N 1 1 314.360 3.587 20 30 DHEDMO COCC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CC[C@@H](C)C1 ZINC000362169392 1032258421 /nfs/dbraw/zinc/25/84/21/1032258421.db2.gz GXRWLBNYSXTJLQ-DYVFJYSZSA-N 1 1 306.837 3.849 20 30 DHEDMO C=CCC[N@H+](C)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000342717430 1017077376 /nfs/dbraw/zinc/07/73/76/1017077376.db2.gz FQTWDSOWMSBNSJ-LJQANCHMSA-N 1 1 308.425 3.552 20 30 DHEDMO C[C@H]1[C@@H](C)[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC001171305303 1032311649 /nfs/dbraw/zinc/31/16/49/1032311649.db2.gz AWPDKTSXGKHVGD-JHJVBQTASA-N 1 1 319.836 3.517 20 30 DHEDMO CCC[N@@H+](CCC#N)[C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171322776 1032365176 /nfs/dbraw/zinc/36/51/76/1032365176.db2.gz TUJAAKFIGASCHD-CYBMUJFWSA-N 1 1 306.837 3.832 20 30 DHEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccccc2Br)c1 ZINC000048820798 1017265673 /nfs/dbraw/zinc/26/56/73/1017265673.db2.gz LTUJIDOBJVXDHC-UHFFFAOYSA-N 1 1 319.177 3.750 20 30 DHEDMO C#CC[N@@H+](Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000763956092 1017081173 /nfs/dbraw/zinc/08/11/73/1017081173.db2.gz UWERXHCLOREWSI-UHFFFAOYSA-N 1 1 311.816 3.703 20 30 DHEDMO C#CC[N@H+](Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000763956092 1017081177 /nfs/dbraw/zinc/08/11/77/1017081177.db2.gz UWERXHCLOREWSI-UHFFFAOYSA-N 1 1 311.816 3.703 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H](c2ccccc2)O1 ZINC000342720366 1017085972 /nfs/dbraw/zinc/08/59/72/1017085972.db2.gz GLOJMRDKWZIQIC-JXFKEZNVSA-N 1 1 306.409 3.715 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CN[C@H]1CCCc2cccnc21)C(C)C ZINC000684954017 1017088145 /nfs/dbraw/zinc/08/81/45/1017088145.db2.gz OBGCEDIACPZOJQ-OALUTQOASA-N 1 1 313.489 3.747 20 30 DHEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000342718057 1017080101 /nfs/dbraw/zinc/08/01/01/1017080101.db2.gz HMKZOTBXWVQBHY-LLVKDONJSA-N 1 1 300.324 3.540 20 30 DHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2c(F)cccc2F)c1 ZINC000073012007 1017090114 /nfs/dbraw/zinc/09/01/14/1017090114.db2.gz ZJRFMKVGJNLZAI-AWEZNQCLSA-N 1 1 316.351 3.936 20 30 DHEDMO C[N@@H+](CCC(F)(F)F)Cc1cccc(OCCCC#N)c1 ZINC000092478602 1032497832 /nfs/dbraw/zinc/49/78/32/1032497832.db2.gz JNNSMJXFYPJUKH-UHFFFAOYSA-N 1 1 300.324 3.753 20 30 DHEDMO C=CCOc1ccccc1[C@@H](C)Nc1cc(NC(C)=O)cc[nH+]1 ZINC001171368452 1032521821 /nfs/dbraw/zinc/52/18/21/1032521821.db2.gz FVUHLFRJTQDLCM-CYBMUJFWSA-N 1 1 311.385 3.778 20 30 DHEDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000773025727 1032532851 /nfs/dbraw/zinc/53/28/51/1032532851.db2.gz LHKNPTHNLJEAQW-GFCCVEGCSA-N 1 1 313.332 3.765 20 30 DHEDMO CSCC[C@@H](C)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093558698 1032545102 /nfs/dbraw/zinc/54/51/02/1032545102.db2.gz YONUQDNLEQUTFR-OAHLLOKOSA-N 1 1 306.475 3.943 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)[C@@H](C)CCSC)cc(OC)c1O ZINC000093558699 1032545719 /nfs/dbraw/zinc/54/57/19/1032545719.db2.gz KDJXUTYNKWXLAO-ZDUSSCGKSA-N 1 1 309.475 3.703 20 30 DHEDMO C=CC[NH+]1CCC(N[C@@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424319212 1011975489 /nfs/dbraw/zinc/97/54/89/1011975489.db2.gz SBFQSCWDLNMGGZ-ZDUSSCGKSA-N 1 1 308.853 3.650 20 30 DHEDMO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000424319612 1011977311 /nfs/dbraw/zinc/97/73/11/1011977311.db2.gz FFXIGINLSKGHMU-XDWAVFMPSA-N 1 1 323.484 3.711 20 30 DHEDMO C[C@H]1C[C@@H](C(=O)Nc2csc(-c3ccccn3)n2)CC[N@H+]1C ZINC000329546868 1012070313 /nfs/dbraw/zinc/07/03/13/1012070313.db2.gz DNPIALKUVHKPRL-RYUDHWBXSA-N 1 1 316.430 3.523 20 30 DHEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000424695435 1012092195 /nfs/dbraw/zinc/09/21/95/1012092195.db2.gz XOLFDQQMGZZNKD-ZBFHGGJFSA-N 1 1 320.502 3.850 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000424747512 1012117210 /nfs/dbraw/zinc/11/72/10/1012117210.db2.gz NABDZUPOILJUNL-HOTGVXAUSA-N 1 1 320.864 3.804 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000424747512 1012117220 /nfs/dbraw/zinc/11/72/20/1012117220.db2.gz NABDZUPOILJUNL-HOTGVXAUSA-N 1 1 320.864 3.804 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](C)CCCCOc1ccccc1C(F)(F)F ZINC000513959356 1012228198 /nfs/dbraw/zinc/22/81/98/1012228198.db2.gz KMILLYUIIRUDCC-ZDUSSCGKSA-N 1 1 314.351 3.956 20 30 DHEDMO C[C@H](C#N)C[N@@H+](C)CCCCOc1cccc(C(F)(F)F)c1 ZINC000513962539 1012232715 /nfs/dbraw/zinc/23/27/15/1012232715.db2.gz ZLAUNMFGHCKHMR-CYBMUJFWSA-N 1 1 314.351 3.956 20 30 DHEDMO C=CC[C@H]1CCN1C(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000890560941 1012243859 /nfs/dbraw/zinc/24/38/59/1012243859.db2.gz QNGMGEXYXBRRHL-SFHVURJKSA-N 1 1 300.446 3.709 20 30 DHEDMO N#Cc1ccc(OCC[N@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000610214987 1012424572 /nfs/dbraw/zinc/42/45/72/1012424572.db2.gz IGTOTAVJPXZYIK-LJQANCHMSA-N 1 1 306.409 3.502 20 30 DHEDMO Cc1noc(C)c1/C=C\C(=O)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000254916474 1012431555 /nfs/dbraw/zinc/43/15/55/1012431555.db2.gz QELZYDXBZRCUKE-HJWRWDBZSA-N 1 1 307.353 3.682 20 30 DHEDMO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1noc(Cc2ccccc2)n1 ZINC000514776409 1012435868 /nfs/dbraw/zinc/43/58/68/1012435868.db2.gz LQYAHRGITXOTJH-ASFAAARLSA-N 1 1 324.428 3.783 20 30 DHEDMO CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000117346209 1012465896 /nfs/dbraw/zinc/46/58/96/1012465896.db2.gz SMHDZWHLHGRXPY-ZFWWWQNUSA-N 1 1 317.433 3.607 20 30 DHEDMO CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000117346209 1012465907 /nfs/dbraw/zinc/46/59/07/1012465907.db2.gz SMHDZWHLHGRXPY-ZFWWWQNUSA-N 1 1 317.433 3.607 20 30 DHEDMO CC(C)N(C)c1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000425365600 1012492045 /nfs/dbraw/zinc/49/20/45/1012492045.db2.gz MCCWDAHAIPXBOY-INIZCTEOSA-N 1 1 322.456 3.991 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000425365626 1012492311 /nfs/dbraw/zinc/49/23/11/1012492311.db2.gz MHAUIQWBEYZSEG-MRXNPFEDSA-N 1 1 320.440 3.746 20 30 DHEDMO Cc1ccn2c(C[N@H+](C)[C@H](C)c3cccc(C#N)c3)cnc2c1 ZINC000425366011 1012494861 /nfs/dbraw/zinc/49/48/61/1012494861.db2.gz NYKLONXOOGXXAQ-OAHLLOKOSA-N 1 1 304.397 3.707 20 30 DHEDMO CCc1nn(C)c(CC)c1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425366215 1012494954 /nfs/dbraw/zinc/49/49/54/1012494954.db2.gz OVICIEZDLPZNSK-CQSZACIVSA-N 1 1 310.445 3.610 20 30 DHEDMO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425367777 1012495511 /nfs/dbraw/zinc/49/55/11/1012495511.db2.gz UOAGIQSGEHLDIW-AWEZNQCLSA-N 1 1 308.381 3.538 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000126962996 1012505121 /nfs/dbraw/zinc/50/51/21/1012505121.db2.gz NXPPLCWAMLITTE-CQSZACIVSA-N 1 1 300.402 3.823 20 30 DHEDMO C=CC[C@H](C)C(=O)N1CC[C@H]2C[N@H+](C[C@H](CC)CCCC)C[C@H]21 ZINC001269961212 1012518882 /nfs/dbraw/zinc/51/88/82/1012518882.db2.gz WWEQWSVAOIDNCC-ZSYWTGECSA-N 1 1 320.521 3.948 20 30 DHEDMO CCCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000514974758 1012522399 /nfs/dbraw/zinc/52/23/99/1012522399.db2.gz JKSKOSBTPHMROG-MAUKXSAKSA-N 1 1 313.445 3.564 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000123183170 1032639355 /nfs/dbraw/zinc/63/93/55/1032639355.db2.gz NICBPGZEYMZBMT-UHFFFAOYSA-N 1 1 317.452 3.663 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)ccc1C#N ZINC000515443463 1012625333 /nfs/dbraw/zinc/62/53/33/1012625333.db2.gz VXWRLSHNGQQZJJ-LJQANCHMSA-N 1 1 306.409 3.946 20 30 DHEDMO Cc1cc(C#N)cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000342823852 1012692236 /nfs/dbraw/zinc/69/22/36/1012692236.db2.gz JLCGWGRPUABMGC-HNAYVOBHSA-N 1 1 320.440 3.584 20 30 DHEDMO Cc1cc(C#N)cc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000342823855 1012710303 /nfs/dbraw/zinc/71/03/03/1012710303.db2.gz JLCGWGRPUABMGC-KXBFYZLASA-N 1 1 320.440 3.584 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)CCc1ccccc1 ZINC000425537230 1012734594 /nfs/dbraw/zinc/73/45/94/1012734594.db2.gz QDMWXKOPGFTRTA-UZLBHIALSA-N 1 1 308.425 3.545 20 30 DHEDMO Cc1nc2ccccn2c1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425538526 1012735138 /nfs/dbraw/zinc/73/51/38/1012735138.db2.gz SCXCDSNVQHYWEZ-HNNXBMFYSA-N 1 1 304.397 3.707 20 30 DHEDMO CCOC(=O)CCCCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425539733 1012740247 /nfs/dbraw/zinc/74/02/47/1012740247.db2.gz UKIJOUPGSVFFFW-HNNXBMFYSA-N 1 1 302.418 3.675 20 30 DHEDMO CC[N@@H+](CCOc1ccccc1C#N)[C@@H](C)Cc1ccsc1 ZINC000425911334 1012944905 /nfs/dbraw/zinc/94/49/05/1012944905.db2.gz APGWSBXYTUVRBN-HNNXBMFYSA-N 1 1 314.454 3.952 20 30 DHEDMO C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCCc2cccnc21)C(C)C ZINC000684954020 1017089733 /nfs/dbraw/zinc/08/97/33/1017089733.db2.gz OBGCEDIACPZOJQ-RTBURBONSA-N 1 1 313.489 3.747 20 30 DHEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCOc1ccccc1C#N ZINC001167599315 1017164702 /nfs/dbraw/zinc/16/47/02/1017164702.db2.gz SDRUFBOKOITVKZ-VQIMIIECSA-N 1 1 306.409 3.815 20 30 DHEDMO COCC[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1Cl ZINC000384402957 1017341857 /nfs/dbraw/zinc/34/18/57/1017341857.db2.gz ATVIJXSAFITSQK-UHFFFAOYSA-N 1 1 314.816 3.860 20 30 DHEDMO COCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1Cl ZINC000384402957 1017341866 /nfs/dbraw/zinc/34/18/66/1017341866.db2.gz ATVIJXSAFITSQK-UHFFFAOYSA-N 1 1 314.816 3.860 20 30 DHEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268620832 1017565444 /nfs/dbraw/zinc/56/54/44/1017565444.db2.gz NPGWSOLNDVEYKM-SCLBCKFNSA-N 1 1 314.816 3.938 20 30 DHEDMO FC(F)(F)C[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000444691629 1017634460 /nfs/dbraw/zinc/63/44/60/1017634460.db2.gz KCBQYGFOOPHPNQ-CYBMUJFWSA-N 1 1 301.739 3.966 20 30 DHEDMO FC(F)(F)C[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000444700473 1017638092 /nfs/dbraw/zinc/63/80/92/1017638092.db2.gz FRQFIUJISISPLC-LBPRGKRZSA-N 1 1 301.739 3.966 20 30 DHEDMO FC(F)(F)C[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000444700473 1017638097 /nfs/dbraw/zinc/63/80/97/1017638097.db2.gz FRQFIUJISISPLC-LBPRGKRZSA-N 1 1 301.739 3.966 20 30 DHEDMO C=CCC[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1ccco1 ZINC000624053643 1017661204 /nfs/dbraw/zinc/66/12/04/1017661204.db2.gz LEFMMUZGBGUSJD-LBPRGKRZSA-N 1 1 313.323 3.829 20 30 DHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCCC23CCC3)cc1 ZINC000444784152 1017665294 /nfs/dbraw/zinc/66/52/94/1017665294.db2.gz MXJLDRDGBXCGCD-UHFFFAOYSA-N 1 1 309.331 3.955 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2ncn(-c3ccccc3)n2)CCCC1(C)C ZINC000444778264 1017677236 /nfs/dbraw/zinc/67/72/36/1017677236.db2.gz VOPMNUPXBZCXNV-QGZVFWFLSA-N 1 1 310.445 3.834 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2ncn(-c3ccccc3)n2)CCCC1(C)C ZINC000444778264 1017677241 /nfs/dbraw/zinc/67/72/41/1017677241.db2.gz VOPMNUPXBZCXNV-QGZVFWFLSA-N 1 1 310.445 3.834 20 30 DHEDMO CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(C#N)cc1 ZINC000523702007 1017767459 /nfs/dbraw/zinc/76/74/59/1017767459.db2.gz OOGOAYPAZSIITP-UHFFFAOYSA-N 1 1 323.396 3.921 20 30 DHEDMO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000625699573 1017775488 /nfs/dbraw/zinc/77/54/88/1017775488.db2.gz APYBFDJHGSQWGU-NSHDSACASA-N 1 1 313.228 3.830 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000625699573 1017775495 /nfs/dbraw/zinc/77/54/95/1017775495.db2.gz APYBFDJHGSQWGU-NSHDSACASA-N 1 1 313.228 3.830 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000625702273 1017780091 /nfs/dbraw/zinc/78/00/91/1017780091.db2.gz GFYGIBYZWMPDSX-GFCCVEGCSA-N 1 1 310.800 3.706 20 30 DHEDMO C=CCn1ccc2c1nc[nH+]c2NCC1(c2ccccc2)CC1 ZINC001171460881 1032723709 /nfs/dbraw/zinc/72/37/09/1032723709.db2.gz FPAOISFWGRVGHJ-UHFFFAOYSA-N 1 1 304.397 3.761 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000091508335 1017848150 /nfs/dbraw/zinc/84/81/50/1017848150.db2.gz CJOJYQKXLRRFBL-SJORKVTESA-N 1 1 316.493 3.929 20 30 DHEDMO C#CC1CC[NH+](Cc2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC001171490012 1032732232 /nfs/dbraw/zinc/73/22/32/1032732232.db2.gz MJNMUUJCHHFGCF-UHFFFAOYSA-N 1 1 303.274 3.829 20 30 DHEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC001171490505 1032733417 /nfs/dbraw/zinc/73/34/17/1032733417.db2.gz PAWLWNASAQXESQ-GOSISDBHSA-N 1 1 320.436 3.896 20 30 DHEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000091531182 1017948877 /nfs/dbraw/zinc/94/88/77/1017948877.db2.gz UFNXBMJEGRMMAF-QGZVFWFLSA-N 1 1 302.462 3.700 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000091534705 1017949377 /nfs/dbraw/zinc/94/93/77/1017949377.db2.gz XRIMIOUATXQOAS-KRWDZBQOSA-N 1 1 300.446 3.579 20 30 DHEDMO C=CC(C)(C)CC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC001128716582 1017980506 /nfs/dbraw/zinc/98/05/06/1017980506.db2.gz LRHMIGYMQZXZIA-AEFFLSMTSA-N 1 1 312.457 3.732 20 30 DHEDMO CCc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000445815643 1017981381 /nfs/dbraw/zinc/98/13/81/1017981381.db2.gz MYUWWKQBPNYMLZ-FQEVSTJZSA-N 1 1 306.409 3.694 20 30 DHEDMO CCc1ccccc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000445815643 1017981392 /nfs/dbraw/zinc/98/13/92/1017981392.db2.gz MYUWWKQBPNYMLZ-FQEVSTJZSA-N 1 1 306.409 3.694 20 30 DHEDMO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccc(F)c(F)c1 ZINC000477145834 1032747078 /nfs/dbraw/zinc/74/70/78/1032747078.db2.gz AIOTUXMYPNAXDC-UHFFFAOYSA-N 1 1 316.351 3.737 20 30 DHEDMO C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001171538608 1032753101 /nfs/dbraw/zinc/75/31/01/1032753101.db2.gz NYITZAPOYKKVRH-DLBZAZTESA-N 1 1 301.430 3.620 20 30 DHEDMO CCCc1nc(C)c(C[NH2+][C@H](CC)c2cccc(C#N)c2O)o1 ZINC000926476974 1018309761 /nfs/dbraw/zinc/30/97/61/1018309761.db2.gz RHMJJCHUSRDUMA-OAHLLOKOSA-N 1 1 313.401 3.754 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000150893759 1018328682 /nfs/dbraw/zinc/32/86/82/1018328682.db2.gz XBXYEDBOABRJGR-OAHLLOKOSA-N 1 1 320.502 3.700 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000150890894 1018328832 /nfs/dbraw/zinc/32/88/32/1018328832.db2.gz DZEGEYOVWZDMRE-UHFFFAOYSA-N 1 1 319.836 3.526 20 30 DHEDMO CSCC[C@H](C)[N@@H+](C)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000121719047 1018338851 /nfs/dbraw/zinc/33/88/51/1018338851.db2.gz PSADAFFLGAMXSY-ZDUSSCGKSA-N 1 1 315.442 3.787 20 30 DHEDMO C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000173897854 1018369541 /nfs/dbraw/zinc/36/95/41/1018369541.db2.gz HHBFGYABWVBNCB-QGZVFWFLSA-N 1 1 319.452 3.657 20 30 DHEDMO C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000173897854 1018369549 /nfs/dbraw/zinc/36/95/49/1018369549.db2.gz HHBFGYABWVBNCB-QGZVFWFLSA-N 1 1 319.452 3.657 20 30 DHEDMO FC(F)(F)CON=C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000764846474 1018400668 /nfs/dbraw/zinc/40/06/68/1018400668.db2.gz IYRVTNKGOFXBDS-UHFFFAOYSA-N 1 1 320.742 3.871 20 30 DHEDMO COc1ccc(CC[N@@H+](CCCC#N)CC(C)C)cc1OC ZINC000115556474 1018411737 /nfs/dbraw/zinc/41/17/37/1018411737.db2.gz OMRVOAPSNRCTLY-UHFFFAOYSA-N 1 1 304.434 3.508 20 30 DHEDMO CC[C@@H](N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(C#N)cc1 ZINC000447546269 1018417101 /nfs/dbraw/zinc/41/71/01/1018417101.db2.gz UNIUALBTABVZAQ-WOJBJXKFSA-N 1 1 311.473 3.863 20 30 DHEDMO CC[C@@H](N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(C#N)cc1 ZINC000447546269 1018417110 /nfs/dbraw/zinc/41/71/10/1018417110.db2.gz UNIUALBTABVZAQ-WOJBJXKFSA-N 1 1 311.473 3.863 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Oc3ccccc3)nc2)o1 ZINC000174327268 1018417520 /nfs/dbraw/zinc/41/75/20/1018417520.db2.gz NBJDIWBASAYEME-UHFFFAOYSA-N 1 1 305.337 3.628 20 30 DHEDMO CC#CCC[N@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000764955371 1018436228 /nfs/dbraw/zinc/43/62/28/1018436228.db2.gz YRXSQAYYQSXEEZ-IAGOWNOFSA-N 1 1 320.477 3.511 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000246321331 1018447146 /nfs/dbraw/zinc/44/71/46/1018447146.db2.gz WZPYVNAIRAVUKF-HNAYVOBHSA-N 1 1 323.415 3.622 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000246321331 1018447153 /nfs/dbraw/zinc/44/71/53/1018447153.db2.gz WZPYVNAIRAVUKF-HNAYVOBHSA-N 1 1 323.415 3.622 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)NC(CC)CC)c1ccc(F)c(F)c1 ZINC000187781808 1018459911 /nfs/dbraw/zinc/45/99/11/1018459911.db2.gz QOZNAOVDIYIWJC-PXAZEXFGSA-N 1 1 324.415 3.865 20 30 DHEDMO CC(C)(C)[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000447828340 1018484584 /nfs/dbraw/zinc/48/45/84/1018484584.db2.gz DFIQULYJYUAEEC-KRWDZBQOSA-N 1 1 300.446 3.735 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000728569343 1018501029 /nfs/dbraw/zinc/50/10/29/1018501029.db2.gz BCYARXQWZNHWJK-UXHICEINSA-N 1 1 324.399 3.785 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1C ZINC000343260275 1018516697 /nfs/dbraw/zinc/51/66/97/1018516697.db2.gz HFLSFIYDMDBMDU-UHFFFAOYSA-N 1 1 321.424 3.717 20 30 DHEDMO CCCCCCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000858111224 1032771682 /nfs/dbraw/zinc/77/16/82/1032771682.db2.gz XVYPXQIIBSXEPS-AEFFLSMTSA-N 1 1 321.509 3.615 20 30 DHEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245569417 1018564577 /nfs/dbraw/zinc/56/45/77/1018564577.db2.gz APCMCMMJWMJKEN-DOTOQJQBSA-N 1 1 324.827 3.697 20 30 DHEDMO C=CCCC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245569417 1018564588 /nfs/dbraw/zinc/56/45/88/1018564588.db2.gz APCMCMMJWMJKEN-DOTOQJQBSA-N 1 1 324.827 3.697 20 30 DHEDMO C=C[C@H](CC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000245687479 1018576496 /nfs/dbraw/zinc/57/64/96/1018576496.db2.gz WPOGELUBZCJXJG-KZNAEPCWSA-N 1 1 314.473 3.583 20 30 DHEDMO CC1CCC(O)(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000448122042 1018662188 /nfs/dbraw/zinc/66/21/88/1018662188.db2.gz KZZUENQQAJNLTM-RTRUNKLESA-N 1 1 312.457 3.699 20 30 DHEDMO C=CC[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@H](C)COC ZINC000661244894 1018700927 /nfs/dbraw/zinc/70/09/27/1018700927.db2.gz XFAUZJIXOJKHOI-CYBMUJFWSA-N 1 1 304.365 3.504 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1SC ZINC000060212958 1018747509 /nfs/dbraw/zinc/74/75/09/1018747509.db2.gz RLAQSMTWDSFFJU-UHFFFAOYSA-N 1 1 312.438 3.921 20 30 DHEDMO CC(C)C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000072717305 1018774330 /nfs/dbraw/zinc/77/43/30/1018774330.db2.gz YWZWKMNXMXWIPX-UHFFFAOYSA-N 1 1 319.836 3.518 20 30 DHEDMO Cc1cccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)n1 ZINC001204068564 1032791306 /nfs/dbraw/zinc/79/13/06/1032791306.db2.gz BUWVNALLNRYURM-UHFFFAOYSA-N 1 1 309.388 3.587 20 30 DHEDMO NC(CCCc1ccccc1)=[NH+]OCc1cccc(Cl)n1 ZINC000131349137 1018909042 /nfs/dbraw/zinc/90/90/42/1018909042.db2.gz NDAIWRLXYIEGRE-UHFFFAOYSA-N 1 1 303.793 3.547 20 30 DHEDMO CO[C@H](C)c1nc(C[NH2+]Cc2c(C)cc(C#N)cc2C)cs1 ZINC000921825620 1018917742 /nfs/dbraw/zinc/91/77/42/1018917742.db2.gz VSLJDQGHIMLFFG-CYBMUJFWSA-N 1 1 315.442 3.629 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1F ZINC000368269788 1018991594 /nfs/dbraw/zinc/99/15/94/1018991594.db2.gz NRZWPPYRPFZHIH-QRQLOZEOSA-N 1 1 316.420 3.603 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000921864882 1019013402 /nfs/dbraw/zinc/01/34/02/1019013402.db2.gz YXHVQMAPNWXYSB-UHFFFAOYSA-N 1 1 308.429 3.777 20 30 DHEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC001167674330 1019017492 /nfs/dbraw/zinc/01/74/92/1019017492.db2.gz JSYLBAFQOSYJCY-IRXDYDNUSA-N 1 1 315.461 3.793 20 30 DHEDMO CC(C)CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000075611219 1019035389 /nfs/dbraw/zinc/03/53/89/1019035389.db2.gz DOMNYDHKBAJHSA-UHFFFAOYSA-N 1 1 319.836 3.661 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000075865169 1019063081 /nfs/dbraw/zinc/06/30/81/1019063081.db2.gz ZDEPSEWEXVBMGK-FQEVSTJZSA-N 1 1 306.409 3.597 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000248603873 1019063350 /nfs/dbraw/zinc/06/33/50/1019063350.db2.gz BQMGYPCUYJNHBP-YQQAZPJKSA-N 1 1 320.502 3.850 20 30 DHEDMO COc1ccc(C[N@@H+](C)CCC(C)C)cc1OCCCC#N ZINC000130726560 1019065432 /nfs/dbraw/zinc/06/54/32/1019065432.db2.gz SVSNSVPPKNOVLG-UHFFFAOYSA-N 1 1 304.434 3.856 20 30 DHEDMO C=CCOc1ccc(CN[C@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC000666998495 1032815135 /nfs/dbraw/zinc/81/51/35/1032815135.db2.gz XBBPQQJBACNADJ-HNNXBMFYSA-N 1 1 320.864 3.669 20 30 DHEDMO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000311205632 1019238263 /nfs/dbraw/zinc/23/82/63/1019238263.db2.gz MNDOYJMVZGBDJO-TXEJJXNPSA-N 1 1 305.219 3.553 20 30 DHEDMO N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000311205632 1019238266 /nfs/dbraw/zinc/23/82/66/1019238266.db2.gz MNDOYJMVZGBDJO-TXEJJXNPSA-N 1 1 305.219 3.553 20 30 DHEDMO C=C(C)[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccc(F)c(F)c1 ZINC001128248621 1019242953 /nfs/dbraw/zinc/24/29/53/1019242953.db2.gz FPJCADKFQRHNBL-IAGOWNOFSA-N 1 1 322.399 3.571 20 30 DHEDMO C=CCCC[N@H+](C)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000077176964 1019254546 /nfs/dbraw/zinc/25/45/46/1019254546.db2.gz FMRSFJDOEWCZRN-YOEHRIQHSA-N 1 1 311.853 3.677 20 30 DHEDMO Cc1ccc(CC[C@@H](C)[N@H+]2CCC3SC(=O)C=C3C2)cc1 ZINC001171669953 1032823746 /nfs/dbraw/zinc/82/37/46/1032823746.db2.gz GRFQNHQFQIIKQV-PBHICJAKSA-N 1 1 301.455 3.590 20 30 DHEDMO COc1ccc2c(c1)OCC[N@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC000338634874 1019393247 /nfs/dbraw/zinc/39/32/47/1019393247.db2.gz ANUPZVRDPLQKHR-CQSZACIVSA-N 1 1 308.381 3.522 20 30 DHEDMO COc1ccc2c(c1)OCC[N@@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC000338634874 1019393266 /nfs/dbraw/zinc/39/32/66/1019393266.db2.gz ANUPZVRDPLQKHR-CQSZACIVSA-N 1 1 308.381 3.522 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)c(F)c1 ZINC000611071408 1019394480 /nfs/dbraw/zinc/39/44/80/1019394480.db2.gz QLEQTUYEQZVLBS-QGZVFWFLSA-N 1 1 302.299 3.753 20 30 DHEDMO N#Cc1csc(CN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000611254633 1019420699 /nfs/dbraw/zinc/42/06/99/1019420699.db2.gz XLBAHGGOEFIFNT-UHFFFAOYSA-N 1 1 317.502 3.708 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2[nH]nc3ccccc32)C2CC2)cc1 ZINC000611254249 1019422395 /nfs/dbraw/zinc/42/23/95/1019422395.db2.gz FSUANMOBLXRSHQ-UHFFFAOYSA-N 1 1 302.381 3.599 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2[nH]nc3ccccc32)C2CC2)cc1 ZINC000611254249 1019422404 /nfs/dbraw/zinc/42/24/04/1019422404.db2.gz FSUANMOBLXRSHQ-UHFFFAOYSA-N 1 1 302.381 3.599 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2n[nH]c3ccccc32)C2CC2)cc1 ZINC000611254249 1019422424 /nfs/dbraw/zinc/42/24/24/1019422424.db2.gz FSUANMOBLXRSHQ-UHFFFAOYSA-N 1 1 302.381 3.599 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2n[nH]c3ccccc32)C2CC2)cc1 ZINC000611254249 1019422430 /nfs/dbraw/zinc/42/24/30/1019422430.db2.gz FSUANMOBLXRSHQ-UHFFFAOYSA-N 1 1 302.381 3.599 20 30 DHEDMO COCC[N@@H+](Cc1cccc(OCCCC#N)c1)C1CCCC1 ZINC000611257676 1019423996 /nfs/dbraw/zinc/42/39/96/1019423996.db2.gz DWOLIMMPETUKFL-UHFFFAOYSA-N 1 1 316.445 3.760 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C2CC2)C2CCCC2)c1C#N ZINC000611347061 1019454436 /nfs/dbraw/zinc/45/44/36/1019454436.db2.gz CCRHRNMSKJPHQU-UHFFFAOYSA-N 1 1 320.440 3.959 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C2CC2)C2CCCC2)c1C#N ZINC000611347061 1019454447 /nfs/dbraw/zinc/45/44/47/1019454447.db2.gz CCRHRNMSKJPHQU-UHFFFAOYSA-N 1 1 320.440 3.959 20 30 DHEDMO N#Cc1cc(C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)ccn1 ZINC000611383987 1019461642 /nfs/dbraw/zinc/46/16/42/1019461642.db2.gz UCFSSKRKDUFIEB-OAHLLOKOSA-N 1 1 323.293 3.876 20 30 DHEDMO C[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000611390575 1019465694 /nfs/dbraw/zinc/46/56/94/1019465694.db2.gz IUEFAAYRNHBJEU-GQIGUUNPSA-N 1 1 311.473 3.646 20 30 DHEDMO C[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)[N@H+]1CCC[C@@H](C)C1 ZINC000611390575 1019465699 /nfs/dbraw/zinc/46/56/99/1019465699.db2.gz IUEFAAYRNHBJEU-GQIGUUNPSA-N 1 1 311.473 3.646 20 30 DHEDMO CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392853 1019468215 /nfs/dbraw/zinc/46/82/15/1019468215.db2.gz PSCDKSGGXGIYIW-UYAOXDASSA-N 1 1 311.473 3.790 20 30 DHEDMO CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392853 1019468224 /nfs/dbraw/zinc/46/82/24/1019468224.db2.gz PSCDKSGGXGIYIW-UYAOXDASSA-N 1 1 311.473 3.790 20 30 DHEDMO COC[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(C)o1 ZINC000611393352 1019469209 /nfs/dbraw/zinc/46/92/09/1019469209.db2.gz DAILVBUTJVUTQO-MSOLQXFVSA-N 1 1 310.397 3.814 20 30 DHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000611554339 1019513328 /nfs/dbraw/zinc/51/33/28/1019513328.db2.gz MCUDDCPWCAOSRA-GWCFXTLKSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)cc1F ZINC000611554339 1019513344 /nfs/dbraw/zinc/51/33/44/1019513344.db2.gz MCUDDCPWCAOSRA-GWCFXTLKSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cccc(C#N)c1F ZINC000611554008 1019513497 /nfs/dbraw/zinc/51/34/97/1019513497.db2.gz BENBEOSDFDKCPT-GWCFXTLKSA-N 1 1 300.299 3.860 20 30 DHEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cccc(C#N)c1F ZINC000611554008 1019513499 /nfs/dbraw/zinc/51/34/99/1019513499.db2.gz BENBEOSDFDKCPT-GWCFXTLKSA-N 1 1 300.299 3.860 20 30 DHEDMO CCC(C)(C)[N@@H+](C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000093279589 1019577700 /nfs/dbraw/zinc/57/77/00/1019577700.db2.gz ROLPCIRIMKBROD-UHFFFAOYSA-N 1 1 304.434 3.998 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](CC)CCc2nccs2)cc1 ZINC000093764407 1019580327 /nfs/dbraw/zinc/58/03/27/1019580327.db2.gz LFEZVJHZNWGNPE-UHFFFAOYSA-N 1 1 302.443 3.773 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)c1 ZINC000128223747 1019604463 /nfs/dbraw/zinc/60/44/63/1019604463.db2.gz JISKWVBGADIURD-INIZCTEOSA-N 1 1 312.800 3.865 20 30 DHEDMO CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@H](C)c1ccc(C#N)cc1 ZINC000255958278 1019678458 /nfs/dbraw/zinc/67/84/58/1019678458.db2.gz DOKPTRXWXMTEIU-CRAIPNDOSA-N 1 1 322.408 3.781 20 30 DHEDMO C=C(C)CNC(=S)Nc1cccc2c1C[N@@H+](CCCC)C2 ZINC000727290269 1019688323 /nfs/dbraw/zinc/68/83/23/1019688323.db2.gz IWMLEXPUPLHHIJ-UHFFFAOYSA-N 1 1 303.475 3.665 20 30 DHEDMO C[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(OCC#N)cc1 ZINC000264100952 1032851988 /nfs/dbraw/zinc/85/19/88/1032851988.db2.gz HONJQYATHYMEAZ-UHFFFAOYSA-N 1 1 306.818 3.936 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000685464444 1019846788 /nfs/dbraw/zinc/84/67/88/1019846788.db2.gz ITDAMEXZCDQZGE-RTBURBONSA-N 1 1 315.457 3.890 20 30 DHEDMO C[C@@H]1C[C@@H](N(CC#N)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC001171759401 1032861040 /nfs/dbraw/zinc/86/10/40/1032861040.db2.gz JHYKGVAYSSQLFS-WIYYLYMNSA-N 1 1 319.452 3.675 20 30 DHEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000480576476 1019920035 /nfs/dbraw/zinc/92/00/35/1019920035.db2.gz KCWFCUHSSRNNSY-CYBMUJFWSA-N 1 1 314.816 3.980 20 30 DHEDMO Cc1ccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000069071280 1019949287 /nfs/dbraw/zinc/94/92/87/1019949287.db2.gz XGUWZIVRCFWRKN-UHFFFAOYSA-N 1 1 321.424 3.716 20 30 DHEDMO Cc1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000069071280 1019949293 /nfs/dbraw/zinc/94/92/93/1019949293.db2.gz XGUWZIVRCFWRKN-UHFFFAOYSA-N 1 1 321.424 3.716 20 30 DHEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000531869166 1019953698 /nfs/dbraw/zinc/95/36/98/1019953698.db2.gz ZMQWSGQFXMCTIJ-HNNXBMFYSA-N 1 1 314.429 3.502 20 30 DHEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000531869166 1019953707 /nfs/dbraw/zinc/95/37/07/1019953707.db2.gz ZMQWSGQFXMCTIJ-HNNXBMFYSA-N 1 1 314.429 3.502 20 30 DHEDMO N#Cc1cccc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)c1 ZINC000081535970 1019954138 /nfs/dbraw/zinc/95/41/38/1019954138.db2.gz CRBYUDZSEPPATO-OAQYLSRUSA-N 1 1 320.436 3.820 20 30 DHEDMO CC(C)[N@H+]1CC[C@H](CNc2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000317533121 1019988728 /nfs/dbraw/zinc/98/87/28/1019988728.db2.gz KMDALMONIVDYLO-GFCCVEGCSA-N 1 1 311.351 3.719 20 30 DHEDMO C#CCCCCCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000780513610 1020015766 /nfs/dbraw/zinc/01/57/66/1020015766.db2.gz UCOYGDNMRBWRQX-MOPGFXCFSA-N 1 1 318.505 3.683 20 30 DHEDMO C[C@@H]1C[C@H](N(C)Cc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC001171768725 1032869283 /nfs/dbraw/zinc/86/92/83/1032869283.db2.gz WZVYVPVRRKCFFO-UTKZUKDTSA-N 1 1 319.452 3.653 20 30 DHEDMO C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C#N)c2)CN1Cc1ccccc1 ZINC001171768725 1032869300 /nfs/dbraw/zinc/86/93/00/1032869300.db2.gz WZVYVPVRRKCFFO-UTKZUKDTSA-N 1 1 319.452 3.653 20 30 DHEDMO C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2)CN1Cc1ccccc1 ZINC001171768725 1032869313 /nfs/dbraw/zinc/86/93/13/1032869313.db2.gz WZVYVPVRRKCFFO-UTKZUKDTSA-N 1 1 319.452 3.653 20 30 DHEDMO C=C(Br)C[NH+]1CCC(OC2CCC(C)CC2)CC1 ZINC000731103600 1020065159 /nfs/dbraw/zinc/06/51/59/1020065159.db2.gz CWFZCQNGACCRTD-UHFFFAOYSA-N 1 1 316.283 3.955 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(F)c(F)c1 ZINC000657983071 1020068761 /nfs/dbraw/zinc/06/87/61/1020068761.db2.gz QZLGSGZFJJWYQW-NVXWUHKLSA-N 1 1 303.356 3.903 20 30 DHEDMO CCCCCCC[C@@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000731119247 1020068689 /nfs/dbraw/zinc/06/86/89/1020068689.db2.gz GUKHYGGIHLKBRZ-SJORKVTESA-N 1 1 311.514 3.624 20 30 DHEDMO C=CCOc1ccccc1C[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000093442542 1020068833 /nfs/dbraw/zinc/06/88/33/1020068833.db2.gz IEVWMPDZFCXBEB-IBGZPJMESA-N 1 1 311.425 3.807 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000731213239 1020081463 /nfs/dbraw/zinc/08/14/63/1020081463.db2.gz YFONRUAKEJIUHW-HXUWFJFHSA-N 1 1 322.408 3.553 20 30 DHEDMO Cc1ccc(C[N@@H+](Cc2cnc3ccc(C#N)cn23)C(C)C)s1 ZINC000092485268 1020094805 /nfs/dbraw/zinc/09/48/05/1020094805.db2.gz HIVVEPJJEDCMOK-UHFFFAOYSA-N 1 1 324.453 3.987 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@]4(CC=CCC4)C3)n2c1 ZINC000093439462 1020152647 /nfs/dbraw/zinc/15/26/47/1020152647.db2.gz FJWAVXMQMLNJQU-IBGZPJMESA-N 1 1 306.413 3.528 20 30 DHEDMO CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C1CC1 ZINC000154975284 1020173363 /nfs/dbraw/zinc/17/33/63/1020173363.db2.gz USLJXPZWXZVQFD-WCQYABFASA-N 1 1 317.433 3.606 20 30 DHEDMO C[C@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)[C@H](c2ccco2)C1 ZINC000093811882 1020175725 /nfs/dbraw/zinc/17/57/25/1020175725.db2.gz AIYIEMKBXOAKAJ-YOEHRIQHSA-N 1 1 320.396 3.772 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H](c2ccco2)C1 ZINC000093811882 1020175728 /nfs/dbraw/zinc/17/57/28/1020175728.db2.gz AIYIEMKBXOAKAJ-YOEHRIQHSA-N 1 1 320.396 3.772 20 30 DHEDMO N#CCOc1cccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000309904786 1020182641 /nfs/dbraw/zinc/18/26/41/1020182641.db2.gz OONNUQLVGCCJGG-LJQANCHMSA-N 1 1 321.424 3.665 20 30 DHEDMO C[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccc(C#N)cc1 ZINC000124611193 1020200880 /nfs/dbraw/zinc/20/08/80/1020200880.db2.gz BAOABELWEKPOKW-ZDUSSCGKSA-N 1 1 320.421 3.928 20 30 DHEDMO N#CC1(c2ccc(C[NH2+]Cc3nc4c(s3)CCCC4)cc2)CC1 ZINC000922699010 1020219623 /nfs/dbraw/zinc/21/96/23/1020219623.db2.gz AKZBEKDESRVREP-UHFFFAOYSA-N 1 1 323.465 3.867 20 30 DHEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1Cc2cccc(F)c2C1 ZINC001171804697 1032891828 /nfs/dbraw/zinc/89/18/28/1032891828.db2.gz HLSQUDQYGHLDRB-LAUBAEHRSA-N 1 1 305.396 3.916 20 30 DHEDMO CC(C)c1[nH+]ccn1[C@H]1CCCN(c2cccc(F)c2C#N)C1 ZINC000364565924 1020470188 /nfs/dbraw/zinc/47/01/88/1020470188.db2.gz SVPMLJWPEKUILB-AWEZNQCLSA-N 1 1 312.392 3.859 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159630070 1020484539 /nfs/dbraw/zinc/48/45/39/1020484539.db2.gz VREKVGHCLIXOKZ-IIBYNOLFSA-N 1 1 318.420 3.793 20 30 DHEDMO C=CCOCCC[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000348040421 1020490713 /nfs/dbraw/zinc/49/07/13/1020490713.db2.gz DJZXHMSXLSYTJN-MSOLQXFVSA-N 1 1 307.409 3.570 20 30 DHEDMO C[C@H](C[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)CO)c1ccccc1 ZINC000554279398 1020541179 /nfs/dbraw/zinc/54/11/79/1020541179.db2.gz KRDAEFMKBDDCQU-SJORKVTESA-N 1 1 308.425 3.545 20 30 DHEDMO CC[N@@H+](CCCC(=O)Nc1c(C)cc(C)cc1C)C[C@H](C)C#N ZINC000136666654 1020583436 /nfs/dbraw/zinc/58/34/36/1020583436.db2.gz NMGOUSMHCRMKOR-OAHLLOKOSA-N 1 1 315.461 3.812 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(C)c(C(=O)OC)o1 ZINC000065959514 1020604916 /nfs/dbraw/zinc/60/49/16/1020604916.db2.gz BDRRYCNOMCUYKN-UHFFFAOYSA-N 1 1 313.397 3.605 20 30 DHEDMO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CC(C)(C)C#N ZINC000612585824 1020632221 /nfs/dbraw/zinc/63/22/21/1020632221.db2.gz RMZQAZCPDRFHGI-UHFFFAOYSA-N 1 1 316.836 3.782 20 30 DHEDMO COc1ccc(C[NH2+]CC(C)(C)C#N)cc1OCCC(C)C ZINC000612584819 1020632391 /nfs/dbraw/zinc/63/23/91/1020632391.db2.gz AZEWQELGOFBLLG-UHFFFAOYSA-N 1 1 304.434 3.759 20 30 DHEDMO CC[N@@H+](Cc1cccc2c1OCCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000058907865 1020640639 /nfs/dbraw/zinc/64/06/39/1020640639.db2.gz CVWJNMKPRBASCN-HNNXBMFYSA-N 1 1 322.408 3.913 20 30 DHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337207431 1032920370 /nfs/dbraw/zinc/92/03/70/1032920370.db2.gz OOTSGBRAPMLLRE-ZDUSSCGKSA-N 1 1 318.383 3.750 20 30 DHEDMO C#Cc1cccc(N(CC)C(=O)C[N@H+](C)CCCCCC)c1 ZINC000735654388 1020758474 /nfs/dbraw/zinc/75/84/74/1020758474.db2.gz CATSTVHVTCZLJD-UHFFFAOYSA-N 1 1 300.446 3.533 20 30 DHEDMO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3C#N)C2)c1 ZINC000579975467 1020791769 /nfs/dbraw/zinc/79/17/69/1020791769.db2.gz UBGMYLWNRLTJRE-OAHLLOKOSA-N 1 1 311.816 3.905 20 30 DHEDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3C#N)C2)c1 ZINC000579975467 1020791777 /nfs/dbraw/zinc/79/17/77/1020791777.db2.gz UBGMYLWNRLTJRE-OAHLLOKOSA-N 1 1 311.816 3.905 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000661381021 1020804041 /nfs/dbraw/zinc/80/40/41/1020804041.db2.gz TTZXMKFLEOWQNJ-KRWDZBQOSA-N 1 1 300.446 3.838 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2CCc2ccccc2)cc1 ZINC000177995855 1020889809 /nfs/dbraw/zinc/88/98/09/1020889809.db2.gz XAIWLRNPDKBSSO-RTWAWAEBSA-N 1 1 320.436 3.689 20 30 DHEDMO CC(C)(C)OC(=O)C1CCC([N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001171928358 1032941041 /nfs/dbraw/zinc/94/10/41/1032941041.db2.gz CPDZLXMZQHSLQI-FHERZECASA-N 1 1 306.450 3.513 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000739914066 1020925452 /nfs/dbraw/zinc/92/54/52/1020925452.db2.gz DSOCXRQPQJPUNW-MRXNPFEDSA-N 1 1 323.481 3.505 20 30 DHEDMO C[C@H]([NH2+]Cc1ccn(-c2ccc(F)cc2)n1)c1ccc(C#N)cc1 ZINC000180139158 1020937995 /nfs/dbraw/zinc/93/79/95/1020937995.db2.gz LGDXCZJTRCZBPO-AWEZNQCLSA-N 1 1 320.371 3.734 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)s1 ZINC000180150471 1020953775 /nfs/dbraw/zinc/95/37/75/1020953775.db2.gz RRMFSEWWKPABPH-GFCCVEGCSA-N 1 1 318.829 3.926 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)s1 ZINC000180150471 1020953780 /nfs/dbraw/zinc/95/37/80/1020953780.db2.gz RRMFSEWWKPABPH-GFCCVEGCSA-N 1 1 318.829 3.926 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000740875008 1020958093 /nfs/dbraw/zinc/95/80/93/1020958093.db2.gz XQZUVHMGJNYGAG-HNNXBMFYSA-N 1 1 307.434 3.523 20 30 DHEDMO C#Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000741143914 1020986271 /nfs/dbraw/zinc/98/62/71/1020986271.db2.gz ABJDDQKBBINNEM-HXUWFJFHSA-N 1 1 318.420 3.661 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000613492046 1020997243 /nfs/dbraw/zinc/99/72/43/1020997243.db2.gz FBZWXYBIDXKEKZ-KRWDZBQOSA-N 1 1 318.848 3.678 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000613492046 1020997249 /nfs/dbraw/zinc/99/72/49/1020997249.db2.gz FBZWXYBIDXKEKZ-KRWDZBQOSA-N 1 1 318.848 3.678 20 30 DHEDMO C[C@@H]1C[C@H](/N=C\c2cc(Cl)cc(Cl)c2O)CC[N@@H+]1C ZINC000741465065 1021008824 /nfs/dbraw/zinc/00/88/24/1021008824.db2.gz SOJKUMJSJPVBIX-CAHKYLNKSA-N 1 1 301.217 3.601 20 30 DHEDMO C[C@@H]1C[C@H](/N=C\c2cc(Cl)cc(Cl)c2O)CC[N@H+]1C ZINC000741465065 1021008827 /nfs/dbraw/zinc/00/88/27/1021008827.db2.gz SOJKUMJSJPVBIX-CAHKYLNKSA-N 1 1 301.217 3.601 20 30 DHEDMO CC[N@H+]1CCC(N=Nc2ncc(Cl)cc2Cl)[C@H](C)C1 ZINC000741456110 1021011602 /nfs/dbraw/zinc/01/16/02/1021011602.db2.gz HNMQGUZWYAQCQO-SECBINFHSA-N 1 1 301.221 3.518 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H](c2ccccc2)O1 ZINC000264535430 1032953021 /nfs/dbraw/zinc/95/30/21/1032953021.db2.gz FYOGSHPPDFPSCR-OXQOHEQNSA-N 1 1 322.408 3.551 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c(C#N)c1 ZINC001137704670 1021060411 /nfs/dbraw/zinc/06/04/11/1021060411.db2.gz PJZCMOQOGYLGBT-INIZCTEOSA-N 1 1 310.372 3.695 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H](c2ccccc2)O1 ZINC000264535430 1032953028 /nfs/dbraw/zinc/95/30/28/1032953028.db2.gz FYOGSHPPDFPSCR-OXQOHEQNSA-N 1 1 322.408 3.551 20 30 DHEDMO CC1(C)Cc2cccc(C[NH2+]Cc3cc(C#N)ccc3F)c2O1 ZINC000742381945 1021109423 /nfs/dbraw/zinc/10/94/23/1021109423.db2.gz UJQFGDQSKINSGZ-UHFFFAOYSA-N 1 1 310.372 3.701 20 30 DHEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccccc2N2CCCCC2)c1 ZINC000742381680 1021110043 /nfs/dbraw/zinc/11/00/43/1021110043.db2.gz CJNAPZFZBFKVRP-UHFFFAOYSA-N 1 1 323.415 3.977 20 30 DHEDMO COc1ccc(C[NH2+]Cc2c(F)cccc2Cl)cc1C#N ZINC000742369341 1021113030 /nfs/dbraw/zinc/11/30/30/1021113030.db2.gz VSHHSZDDCPBVFS-UHFFFAOYSA-N 1 1 304.752 3.649 20 30 DHEDMO CC(C)[C@](C)(C#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171971756 1032956091 /nfs/dbraw/zinc/95/60/91/1032956091.db2.gz JUZULYQWALNCFS-QUCCMNQESA-N 1 1 313.489 3.957 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC[S@@](=O)c1ccccc1 ZINC000104679194 1021144392 /nfs/dbraw/zinc/14/43/92/1021144392.db2.gz KCFDVHJHKTWKSJ-QFIPXVFZSA-N 1 1 313.466 3.525 20 30 DHEDMO CC(C)[N@@H+](C)CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000742804068 1021167148 /nfs/dbraw/zinc/16/71/48/1021167148.db2.gz IAKCFNWLNJXSOI-LJQANCHMSA-N 1 1 321.424 3.621 20 30 DHEDMO CC1(C)C[C@H](N2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171976438 1032960917 /nfs/dbraw/zinc/96/09/17/1032960917.db2.gz LGRIPCGNCPFGMX-LJQANCHMSA-N 1 1 311.473 3.665 20 30 DHEDMO CC1(C)C[C@H]([NH+]2CCC(C#N)CC2)CCN1Cc1ccccc1 ZINC001171976438 1032960941 /nfs/dbraw/zinc/96/09/41/1032960941.db2.gz LGRIPCGNCPFGMX-LJQANCHMSA-N 1 1 311.473 3.665 20 30 DHEDMO Cn1cc[nH+]c1C[C@@H](/N=C\c1ccccc1O)c1ccccc1 ZINC000743044602 1021208041 /nfs/dbraw/zinc/20/80/41/1021208041.db2.gz MSNXQHJAEYNXFI-RHTHQAGFSA-N 1 1 305.381 3.529 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000187689618 1021247273 /nfs/dbraw/zinc/24/72/73/1021247273.db2.gz AVZIIRIVWDBTDF-OXJNMPFZSA-N 1 1 306.409 3.867 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000187689618 1021247282 /nfs/dbraw/zinc/24/72/82/1021247282.db2.gz AVZIIRIVWDBTDF-OXJNMPFZSA-N 1 1 306.409 3.867 20 30 DHEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)OC(C)(C)C#N)c1 ZINC000181583138 1021258101 /nfs/dbraw/zinc/25/81/01/1021258101.db2.gz KFOIJXIGRKXEFG-UHFFFAOYSA-N 1 1 322.408 3.778 20 30 DHEDMO N#CCCOCC[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000338916443 1021303945 /nfs/dbraw/zinc/30/39/45/1021303945.db2.gz KTZDOBHSBXJYKV-UHFFFAOYSA-N 1 1 313.228 3.888 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000066696074 1021326005 /nfs/dbraw/zinc/32/60/05/1021326005.db2.gz RONBVDWYOVPOAY-QGZVFWFLSA-N 1 1 312.438 3.801 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000618282022 1021344990 /nfs/dbraw/zinc/34/49/90/1021344990.db2.gz YOULZARRZGAIPS-ZDUSSCGKSA-N 1 1 306.372 3.750 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000282137734 1021382053 /nfs/dbraw/zinc/38/20/53/1021382053.db2.gz BTSAAXQHEXXSLA-QGZVFWFLSA-N 1 1 322.408 3.565 20 30 DHEDMO C[C@H]1C[NH+](Cc2cc(Cl)ccc2OCC#N)C[C@H](C)S1 ZINC000743857941 1021384784 /nfs/dbraw/zinc/38/47/84/1021384784.db2.gz YAPXUHIKVQPMOS-RYUDHWBXSA-N 1 1 310.850 3.568 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](F)CC2)cc1Br ZINC001236856966 1021390403 /nfs/dbraw/zinc/39/04/03/1021390403.db2.gz QQHFZDIVRDMQJK-CYBMUJFWSA-N 1 1 311.198 3.645 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](F)CC2)cc1Br ZINC001236856966 1021390422 /nfs/dbraw/zinc/39/04/22/1021390422.db2.gz QQHFZDIVRDMQJK-CYBMUJFWSA-N 1 1 311.198 3.645 20 30 DHEDMO CCCCCCCCC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000743921100 1021400029 /nfs/dbraw/zinc/40/00/29/1021400029.db2.gz HXTAZUQFDQVJKF-UHFFFAOYSA-N 1 1 302.462 3.869 20 30 DHEDMO C=CCN(C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)C(C)C ZINC000918064095 1021437454 /nfs/dbraw/zinc/43/74/54/1021437454.db2.gz LUMARKDGFKUMJJ-UHFFFAOYSA-N 1 1 317.477 3.633 20 30 DHEDMO CCCCCCC[C@H](C)CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000918134660 1021463590 /nfs/dbraw/zinc/46/35/90/1021463590.db2.gz BNZUGODWCWKCOA-BZSNNMDCSA-N 1 1 323.525 3.909 20 30 DHEDMO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000744200163 1021468251 /nfs/dbraw/zinc/46/82/51/1021468251.db2.gz GJIQSYKYIYKKCK-FQEVSTJZSA-N 1 1 322.408 3.870 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1Cl ZINC000129903139 1021582478 /nfs/dbraw/zinc/58/24/78/1021582478.db2.gz SCEHULSXBSZKHH-HNNXBMFYSA-N 1 1 321.848 3.906 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000538147975 1033001687 /nfs/dbraw/zinc/00/16/87/1033001687.db2.gz SKBYHEKWFBLQHZ-RHSMWYFYSA-N 1 1 319.424 3.766 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CC1(Cl)Cl ZINC000745261310 1021690623 /nfs/dbraw/zinc/69/06/23/1021690623.db2.gz RQPDVEHKCTYVJM-GFCCVEGCSA-N 1 1 315.200 3.777 20 30 DHEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CC1(Cl)Cl ZINC000745261310 1021690630 /nfs/dbraw/zinc/69/06/30/1021690630.db2.gz RQPDVEHKCTYVJM-GFCCVEGCSA-N 1 1 315.200 3.777 20 30 DHEDMO C[C@H](CC#N)C(=O)OC[C@@]1(C)CCCC[N@H+]1Cc1ccccc1 ZINC000850936763 1021691081 /nfs/dbraw/zinc/69/10/81/1021691081.db2.gz BBEASINOJYZVOF-VQIMIIECSA-N 1 1 314.429 3.524 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+](CC2CC2)C2CCC2)c1C#N ZINC000619516961 1021782919 /nfs/dbraw/zinc/78/29/19/1021782919.db2.gz KRXNNAYUKIHWBR-UHFFFAOYSA-N 1 1 320.440 3.817 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](CC2CC2)C2CCC2)c1C#N ZINC000619516961 1021782935 /nfs/dbraw/zinc/78/29/35/1021782935.db2.gz KRXNNAYUKIHWBR-UHFFFAOYSA-N 1 1 320.440 3.817 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C(C)(C)C)Cc1ccnc(C#N)c1 ZINC000619516871 1021783874 /nfs/dbraw/zinc/78/38/74/1021783874.db2.gz DSONGTRVSXRMNR-UHFFFAOYSA-N 1 1 323.440 3.762 20 30 DHEDMO N#CCSCCC[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000745942720 1021801450 /nfs/dbraw/zinc/80/14/50/1021801450.db2.gz PHYNSAAZXRMYDL-HNNXBMFYSA-N 1 1 324.877 3.830 20 30 DHEDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)c(OC)c1 ZINC000619674194 1021824473 /nfs/dbraw/zinc/82/44/73/1021824473.db2.gz MEZXEANMJJAGEO-UHFFFAOYSA-N 1 1 324.424 3.988 20 30 DHEDMO COc1cccc(C[N@H+](C)Cc2cccc(C#N)c2)c1Cl ZINC001237198921 1021849659 /nfs/dbraw/zinc/84/96/59/1021849659.db2.gz ZPJUHPZBWVIPMK-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO COc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1Cl ZINC001237198921 1021849674 /nfs/dbraw/zinc/84/96/74/1021849674.db2.gz ZPJUHPZBWVIPMK-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO CC(C)C[N@H+](Cc1ncc(Cl)n1C)Cc1ccc(C#N)cc1 ZINC000746153956 1021872596 /nfs/dbraw/zinc/87/25/96/1021872596.db2.gz YKINCOYVZKPSPY-UHFFFAOYSA-N 1 1 316.836 3.603 20 30 DHEDMO CC(C)C[N@@H+](Cc1ncc(Cl)n1C)Cc1ccc(C#N)cc1 ZINC000746153956 1021872620 /nfs/dbraw/zinc/87/26/20/1021872620.db2.gz YKINCOYVZKPSPY-UHFFFAOYSA-N 1 1 316.836 3.603 20 30 DHEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)c1ccccn1 ZINC000851713395 1021967581 /nfs/dbraw/zinc/96/75/81/1021967581.db2.gz DLDQPQHXNZLXLF-AWEZNQCLSA-N 1 1 308.834 3.518 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)c1ccccn1 ZINC000851713395 1021967593 /nfs/dbraw/zinc/96/75/93/1021967593.db2.gz DLDQPQHXNZLXLF-AWEZNQCLSA-N 1 1 308.834 3.518 20 30 DHEDMO Cn1cc[nH+]c1[C@@H]1CCCN([C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000851990173 1022053982 /nfs/dbraw/zinc/05/39/82/1022053982.db2.gz OVIGVIVAJAXLAB-ZBFHGGJFSA-N 1 1 314.820 3.518 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3nc(-c4ccccc4)c[nH]3)CC2)c1 ZINC000341240487 1022063207 /nfs/dbraw/zinc/06/32/07/1022063207.db2.gz VQDODQNPGVXXQR-UHFFFAOYSA-N 1 1 314.392 3.727 20 30 DHEDMO COc1ccc(O)c(/C=N/[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000920175664 1022074916 /nfs/dbraw/zinc/07/49/16/1022074916.db2.gz ZMOIAMGMISPWLF-QOXNFRGXSA-N 1 1 324.424 3.655 20 30 DHEDMO C=C[C@H](CC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000153517038 1022083719 /nfs/dbraw/zinc/08/37/19/1022083719.db2.gz WPOGELUBZCJXJG-OKZBNKHCSA-N 1 1 314.473 3.583 20 30 DHEDMO CC[C@H](CC(F)F)C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331286 1022107864 /nfs/dbraw/zinc/10/78/64/1022107864.db2.gz KOFQJFWNNKAKSR-PBHICJAKSA-N 1 1 307.388 3.620 20 30 DHEDMO CC[C@H](CC(F)F)C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331286 1022107867 /nfs/dbraw/zinc/10/78/67/1022107867.db2.gz KOFQJFWNNKAKSR-PBHICJAKSA-N 1 1 307.388 3.620 20 30 DHEDMO Cc1ccc(CCC[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1 ZINC000852332465 1022110779 /nfs/dbraw/zinc/11/07/79/1022110779.db2.gz RVACOPCOIUCGKD-OAQYLSRUSA-N 1 1 319.452 3.880 20 30 DHEDMO Cc1ccc(CCC[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)cc1 ZINC000852332465 1022110789 /nfs/dbraw/zinc/11/07/89/1022110789.db2.gz RVACOPCOIUCGKD-OAQYLSRUSA-N 1 1 319.452 3.880 20 30 DHEDMO CC(C)[N@H+](CCC(C)(C)C#N)c1ccc(N2CCOCC2)cc1 ZINC000776588440 1022115738 /nfs/dbraw/zinc/11/57/38/1022115738.db2.gz VJAKRHXGFQQLJY-UHFFFAOYSA-N 1 1 315.461 3.678 20 30 DHEDMO CC(C)[N@@H+](CCC(C)(C)C#N)c1ccc(N2CCOCC2)cc1 ZINC000776588440 1022115742 /nfs/dbraw/zinc/11/57/42/1022115742.db2.gz VJAKRHXGFQQLJY-UHFFFAOYSA-N 1 1 315.461 3.678 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000620301938 1022123542 /nfs/dbraw/zinc/12/35/42/1022123542.db2.gz WWWFJEDDICXJRH-IXDOHACOSA-N 1 1 318.848 3.652 20 30 DHEDMO C=CC[N@@H+](Cc1c(Cl)n(C)nc1C(F)(F)F)C(C)(C)C ZINC000852554487 1022139429 /nfs/dbraw/zinc/13/94/29/1022139429.db2.gz ONMKRGPYHVIZOI-UHFFFAOYSA-N 1 1 309.763 3.879 20 30 DHEDMO C=CC[N@H+](Cc1c(Cl)n(C)nc1C(F)(F)F)C(C)(C)C ZINC000852554487 1022139436 /nfs/dbraw/zinc/13/94/36/1022139436.db2.gz ONMKRGPYHVIZOI-UHFFFAOYSA-N 1 1 309.763 3.879 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+](Cc2ccccc2F)CC2CC2)cc1 ZINC000852564076 1022140095 /nfs/dbraw/zinc/14/00/95/1022140095.db2.gz KRDJYCPIIIZTSH-FQEVSTJZSA-N 1 1 324.399 3.643 20 30 DHEDMO C[C@@H]1CC[N@@H+](CCC(C)(C)C#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852602990 1022147081 /nfs/dbraw/zinc/14/70/81/1022147081.db2.gz DKGWTWMLSUIQRP-CABCVRRESA-N 1 1 323.481 3.551 20 30 DHEDMO Cn1cc(C[N@H+](C)CC(C)(C)C#N)c(-c2cc3ccccc3o2)n1 ZINC000590371872 1022158194 /nfs/dbraw/zinc/15/81/94/1022158194.db2.gz CLCPJUSEPNVIHN-UHFFFAOYSA-N 1 1 322.412 3.815 20 30 DHEDMO Cn1cc(C[N@@H+](C)CC(C)(C)C#N)c(-c2cc3ccccc3o2)n1 ZINC000590371872 1022158200 /nfs/dbraw/zinc/15/82/00/1022158200.db2.gz CLCPJUSEPNVIHN-UHFFFAOYSA-N 1 1 322.412 3.815 20 30 DHEDMO C=CCn1c(SC[C@@H]2CCCC[N@@H+]2C(C)C)nnc1C1CC1 ZINC000339120467 1022194021 /nfs/dbraw/zinc/19/40/21/1022194021.db2.gz ZVTSXNZPWRCJQS-HNNXBMFYSA-N 1 1 320.506 3.697 20 30 DHEDMO N#CCC[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038812 1022222016 /nfs/dbraw/zinc/22/20/16/1022222016.db2.gz KNTVFZUBBNXVBX-GDBMZVCRSA-N 1 1 321.808 3.501 20 30 DHEDMO CC(C)[N@H+](Cc1nc2ccccc2[nH]1)Cc1ccc(C#N)cc1 ZINC000154380094 1022235362 /nfs/dbraw/zinc/23/53/62/1022235362.db2.gz RNOUGTHMKXZVDH-UHFFFAOYSA-N 1 1 304.397 3.845 20 30 DHEDMO CC(C)[N@@H+](Cc1nc2ccccc2[nH]1)Cc1ccc(C#N)cc1 ZINC000154380094 1022235372 /nfs/dbraw/zinc/23/53/72/1022235372.db2.gz RNOUGTHMKXZVDH-UHFFFAOYSA-N 1 1 304.397 3.845 20 30 DHEDMO CC(C)C[C@H](Cc1ccccc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001169072119 1022241344 /nfs/dbraw/zinc/24/13/44/1022241344.db2.gz YPFAJORLOFREPB-MSOLQXFVSA-N 1 1 315.482 3.918 20 30 DHEDMO C=CCC[C@@H]([NH2+]CCc1c[nH]nn1)c1ccc(C(F)(F)F)cc1 ZINC000660203601 1022262998 /nfs/dbraw/zinc/26/29/98/1022262998.db2.gz FTRLIGHKRWEKEZ-OAHLLOKOSA-N 1 1 324.350 3.663 20 30 DHEDMO CCC[N@@H+](C)CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000609432584 1022279723 /nfs/dbraw/zinc/27/97/23/1022279723.db2.gz DAOQSVGRVNCEMX-UHFFFAOYSA-N 1 1 323.396 3.631 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@H](CCF)C2)c1O ZINC000853563765 1022292061 /nfs/dbraw/zinc/29/20/61/1022292061.db2.gz DDZTWSATODDDLJ-CQSZACIVSA-N 1 1 307.409 3.701 20 30 DHEDMO CCc1nc([C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cs1 ZINC000111406707 1022294783 /nfs/dbraw/zinc/29/47/83/1022294783.db2.gz DHYARNSZCFEIOE-QWHCGFSZSA-N 1 1 315.442 3.847 20 30 DHEDMO CC(C)[N@H+]1CCCC[C@@H]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000853665278 1022311134 /nfs/dbraw/zinc/31/11/34/1022311134.db2.gz YTCZNAJCURHGOM-GOSISDBHSA-N 1 1 308.429 3.685 20 30 DHEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCOc1ccccc1C#N ZINC000609672294 1022325525 /nfs/dbraw/zinc/32/55/25/1022325525.db2.gz CVBXXNLFLBWAPA-LPHOPBHVSA-N 1 1 306.409 3.815 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCOc1ccccc1C#N ZINC000609916420 1022380956 /nfs/dbraw/zinc/38/09/56/1022380956.db2.gz NIWIYXUOSUUFJJ-CRAIPNDOSA-N 1 1 324.399 3.954 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000610002254 1022400603 /nfs/dbraw/zinc/40/06/03/1022400603.db2.gz TXYGRDJSNWARMH-DOMZBBRYSA-N 1 1 312.335 3.663 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000610012899 1022405290 /nfs/dbraw/zinc/40/52/90/1022405290.db2.gz KXXSMBOBIYQPDD-AWEZNQCLSA-N 1 1 302.418 3.500 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)C(=O)OC(C)(C)C ZINC000610012899 1022405296 /nfs/dbraw/zinc/40/52/96/1022405296.db2.gz KXXSMBOBIYQPDD-AWEZNQCLSA-N 1 1 302.418 3.500 20 30 DHEDMO C#CC[N@@H+](Cc1nnc(-c2cccc(Cl)c2)o1)C1CCCC1 ZINC000155802910 1022423221 /nfs/dbraw/zinc/42/32/21/1022423221.db2.gz OKLUJHQKGDCAQU-UHFFFAOYSA-N 1 1 315.804 3.768 20 30 DHEDMO C#CC[N@H+](Cc1nnc(-c2cccc(Cl)c2)o1)C1CCCC1 ZINC000155802910 1022423227 /nfs/dbraw/zinc/42/32/27/1022423227.db2.gz OKLUJHQKGDCAQU-UHFFFAOYSA-N 1 1 315.804 3.768 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Br)cs1 ZINC001204027432 1022432959 /nfs/dbraw/zinc/43/29/59/1022432959.db2.gz DQHDQQNHLSTGNL-WLLOZRIZSA-N 1 1 311.248 3.777 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)cs1 ZINC001204027432 1022432971 /nfs/dbraw/zinc/43/29/71/1022432971.db2.gz DQHDQQNHLSTGNL-WLLOZRIZSA-N 1 1 311.248 3.777 20 30 DHEDMO C[C@@H](NCC(C)(C)[NH+]1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000776726436 1022447101 /nfs/dbraw/zinc/44/71/01/1022447101.db2.gz XTJAFIBRXYDDKH-CQSZACIVSA-N 1 1 303.425 3.612 20 30 DHEDMO Cc1csc([C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000237706034 1022501018 /nfs/dbraw/zinc/50/10/18/1022501018.db2.gz ADYZLKPPSDJGQW-QWHCGFSZSA-N 1 1 301.415 3.593 20 30 DHEDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CC#N)C2)cc1Br ZINC001237679648 1022534935 /nfs/dbraw/zinc/53/49/35/1022534935.db2.gz SZWIVKFUDHIWFD-LBPRGKRZSA-N 1 1 323.234 3.589 20 30 DHEDMO C#CCCC[N@@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000766913149 1022606324 /nfs/dbraw/zinc/60/63/24/1022606324.db2.gz DXQHSOYOKWFMLN-DLBZAZTESA-N 1 1 320.477 3.654 20 30 DHEDMO CCC1(CC)[C@H]([N@@H+](C)Cc2ccc(OCC#N)cc2)C[C@@H]1OC ZINC000767018769 1022624228 /nfs/dbraw/zinc/62/42/28/1022624228.db2.gz SPNWPTWBWFSPHH-MSOLQXFVSA-N 1 1 316.445 3.614 20 30 DHEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H]2C2CC2)cc1OC ZINC000628297622 1022674345 /nfs/dbraw/zinc/67/43/45/1022674345.db2.gz GFSJNWDYVONHJJ-OAHLLOKOSA-N 1 1 307.821 3.898 20 30 DHEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H]2C2CC2)cc1OC ZINC000628297622 1022674348 /nfs/dbraw/zinc/67/43/48/1022674348.db2.gz GFSJNWDYVONHJJ-OAHLLOKOSA-N 1 1 307.821 3.898 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC001172304940 1033077148 /nfs/dbraw/zinc/07/71/48/1033077148.db2.gz BOVANBUEBDZZAE-JXFKEZNVSA-N 1 1 306.409 3.563 20 30 DHEDMO N#CCCOCC[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000338983588 1022724026 /nfs/dbraw/zinc/72/40/26/1022724026.db2.gz FOJKAHBOYZHMMB-HXUWFJFHSA-N 1 1 306.409 3.564 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2nc(Cl)c(C#N)s2)C1 ZINC000804357330 1022726136 /nfs/dbraw/zinc/72/61/36/1022726136.db2.gz DOGNSNBVXAPJLI-GRYCIOLGSA-N 1 1 324.881 3.510 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001172304904 1033075714 /nfs/dbraw/zinc/07/57/14/1033075714.db2.gz BFPIXKPHWKOJFP-FOIQADDNSA-N 1 1 324.399 3.782 20 30 DHEDMO CCn1ccc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)c1 ZINC000616737776 1022763688 /nfs/dbraw/zinc/76/36/88/1022763688.db2.gz YELQKCQTRARSSF-UHFFFAOYSA-N 1 1 311.429 3.823 20 30 DHEDMO CCCCCCN1CC[NH+]([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172308188 1033079367 /nfs/dbraw/zinc/07/93/67/1033079367.db2.gz UWWFRBSFKJPPFW-SFHVURJKSA-N 1 1 313.489 3.687 20 30 DHEDMO CCC[N@@H+](CCc1ccccn1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172311698 1033079817 /nfs/dbraw/zinc/07/98/17/1033079817.db2.gz WBSAPTGPXORBAK-QGZVFWFLSA-N 1 1 307.441 3.839 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000621515106 1022785782 /nfs/dbraw/zinc/78/57/82/1022785782.db2.gz AMQZABUHUUGWMM-INIZCTEOSA-N 1 1 308.853 3.805 20 30 DHEDMO COc1cccc([C@H]2CC[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)C2)c1 ZINC001172312906 1033081230 /nfs/dbraw/zinc/08/12/30/1033081230.db2.gz LUOVFKDEETTXFW-JXFKEZNVSA-N 1 1 320.436 3.987 20 30 DHEDMO N#Cc1ccc(OCCC[N@H+]2CCc3cccc(F)c3C2)cc1 ZINC000767773290 1022803459 /nfs/dbraw/zinc/80/34/59/1022803459.db2.gz GMNWFTFJOVVGGG-UHFFFAOYSA-N 1 1 310.372 3.525 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001172315461 1033082124 /nfs/dbraw/zinc/08/21/24/1033082124.db2.gz OOLXDDIANUVPIJ-DOMZBBRYSA-N 1 1 314.326 3.713 20 30 DHEDMO C#CC[N@@H+](Cc1cc2c(cc[nH]c2=O)o1)[C@H]1CCc2ccccc21 ZINC000876514520 1033082270 /nfs/dbraw/zinc/08/22/70/1033082270.db2.gz XNGQRAMFZHZRQO-SFHVURJKSA-N 1 1 318.376 3.656 20 30 DHEDMO C#CC[N@H+](Cc1cc2c(cc[nH]c2=O)o1)[C@H]1CCc2ccccc21 ZINC000876514520 1033082289 /nfs/dbraw/zinc/08/22/89/1033082289.db2.gz XNGQRAMFZHZRQO-SFHVURJKSA-N 1 1 318.376 3.656 20 30 DHEDMO COc1cccc([C@H]2CC[N@H+]([C@H](C)Cc3ccc(C#N)cc3)C2)c1 ZINC001172312909 1033082960 /nfs/dbraw/zinc/08/29/60/1033082960.db2.gz LUOVFKDEETTXFW-UZLBHIALSA-N 1 1 320.436 3.987 20 30 DHEDMO C=CC[C@H](CC)NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000538501848 1033082886 /nfs/dbraw/zinc/08/28/86/1033082886.db2.gz IZGYIZPHWIGCIL-XJKSGUPXSA-N 1 1 323.868 3.597 20 30 DHEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000617044211 1022835927 /nfs/dbraw/zinc/83/59/27/1022835927.db2.gz KAHFBFOFNNCPLN-XHSDSOJGSA-N 1 1 303.450 3.648 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(C(=O)OCC)o1)[C@@H]1CCc2ccccc21 ZINC000768129553 1022900349 /nfs/dbraw/zinc/90/03/49/1022900349.db2.gz GSRDZHJYDPSIDH-GOSISDBHSA-N 1 1 323.392 3.579 20 30 DHEDMO C#CC[N@H+](Cc1ccc(C(=O)OCC)o1)[C@@H]1CCc2ccccc21 ZINC000768129553 1022900363 /nfs/dbraw/zinc/90/03/63/1022900363.db2.gz GSRDZHJYDPSIDH-GOSISDBHSA-N 1 1 323.392 3.579 20 30 DHEDMO FC(F)(F)CON=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000768367958 1022952060 /nfs/dbraw/zinc/95/20/60/1022952060.db2.gz UGNZANWHTSAXSJ-GASCZTMLSA-N 1 1 312.335 3.748 20 30 DHEDMO Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CC1(C#N)CCC1 ZINC000418144886 1022971295 /nfs/dbraw/zinc/97/12/95/1022971295.db2.gz VLDQXVXJHLYDBO-UHFFFAOYSA-N 1 1 314.820 3.618 20 30 DHEDMO CC(C)[N@@H+](Cc1cc2c(cc[nH]c2=O)o1)Cc1ccc(C#N)cc1 ZINC000876581626 1033098725 /nfs/dbraw/zinc/09/87/25/1033098725.db2.gz AQYVEPFZLLWWQW-UHFFFAOYSA-N 1 1 321.380 3.816 20 30 DHEDMO COc1cccc(O)c1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000768661206 1023006663 /nfs/dbraw/zinc/00/66/63/1023006663.db2.gz AAUOCXCRVJVZQB-UHFFFAOYSA-N 1 1 324.424 3.931 20 30 DHEDMO N#Cc1ccc(OCCC[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000768814017 1023026101 /nfs/dbraw/zinc/02/61/01/1023026101.db2.gz KYYLSGYHEJRKST-UHFFFAOYSA-N 1 1 310.372 3.525 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ncc(C#N)c2ccsc21 ZINC001167751753 1023035335 /nfs/dbraw/zinc/03/53/35/1023035335.db2.gz NESXDKQXURLPBS-CYBMUJFWSA-N 1 1 314.458 3.844 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1CCCNc1cccc2[nH]cc(CC#N)c21 ZINC001167752926 1023039107 /nfs/dbraw/zinc/03/91/07/1023039107.db2.gz JBPYFXKUORBGGJ-OAHLLOKOSA-N 1 1 310.445 3.910 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000768879776 1023047214 /nfs/dbraw/zinc/04/72/14/1023047214.db2.gz XFGAECCNBBKNJP-GOSISDBHSA-N 1 1 310.397 3.722 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C/C(C)=C\c2ccccc2)c1 ZINC000768916210 1023056184 /nfs/dbraw/zinc/05/61/84/1023056184.db2.gz VUPNZVVULYAQFS-LGMDPLHJSA-N 1 1 318.420 3.642 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)C/C(C)=C\c2ccccc2)c1 ZINC000768916210 1023056195 /nfs/dbraw/zinc/05/61/95/1023056195.db2.gz VUPNZVVULYAQFS-LGMDPLHJSA-N 1 1 318.420 3.642 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(N(C)CCC#N)cc1)Cc1ccccn1 ZINC000768926090 1023058425 /nfs/dbraw/zinc/05/84/25/1023058425.db2.gz LYKGUNPFTZGKCQ-UHFFFAOYSA-N 1 1 322.456 3.842 20 30 DHEDMO Cn1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c2ccccc21 ZINC001203416015 1023060707 /nfs/dbraw/zinc/06/07/07/1023060707.db2.gz SJPODBGJYUSDBE-UHFFFAOYSA-N 1 1 322.437 3.843 20 30 DHEDMO C#CC[N@@H+](CC)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000769112108 1023086498 /nfs/dbraw/zinc/08/64/98/1023086498.db2.gz YGDFTFZDDSIUJP-UHFFFAOYSA-N 1 1 315.848 3.657 20 30 DHEDMO C#CC[N@H+](CC)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000769112108 1023086510 /nfs/dbraw/zinc/08/65/10/1023086510.db2.gz YGDFTFZDDSIUJP-UHFFFAOYSA-N 1 1 315.848 3.657 20 30 DHEDMO C#CC[N@H+](CC)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000769111491 1023087761 /nfs/dbraw/zinc/08/77/61/1023087761.db2.gz PEVVZBFKNKNNMW-UHFFFAOYSA-N 1 1 304.393 3.592 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OCC)cc1O ZINC000769145655 1023089756 /nfs/dbraw/zinc/08/97/56/1023089756.db2.gz LVXJGTQWWROQRV-UHFFFAOYSA-N 1 1 313.372 3.565 20 30 DHEDMO C=CC[N@@H+](Cc1c(C(F)(F)F)nc2n1CCCC2)C(C)C ZINC000876599740 1033104611 /nfs/dbraw/zinc/10/46/11/1033104611.db2.gz JZPLRDVHRDXDJQ-UHFFFAOYSA-N 1 1 301.356 3.635 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(C)ccc1O ZINC000769187922 1023098918 /nfs/dbraw/zinc/09/89/18/1023098918.db2.gz LMYOKFIXYHWTGR-UHFFFAOYSA-N 1 1 312.369 3.797 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC000769240867 1023105637 /nfs/dbraw/zinc/10/56/37/1023105637.db2.gz HAAODWICBQQSNA-ROUUACIJSA-N 1 1 312.438 3.708 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2C[C@H](c3ccccc3)OC[C@H]2C)cc1 ZINC000769308265 1023117932 /nfs/dbraw/zinc/11/79/32/1023117932.db2.gz NXJUSLWRHYEWQY-DYESRHJHSA-N 1 1 321.420 3.661 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2C[C@H](c3ccccc3)OC[C@H]2C)cc1 ZINC000769308265 1023117937 /nfs/dbraw/zinc/11/79/37/1023117937.db2.gz NXJUSLWRHYEWQY-DYESRHJHSA-N 1 1 321.420 3.661 20 30 DHEDMO Cc1c(C[N@H+](CCC#N)CC2CC2)sc2nc(C)nc(C)c12 ZINC000769335231 1023126355 /nfs/dbraw/zinc/12/63/55/1023126355.db2.gz ISUJLEJPAYVZBU-UHFFFAOYSA-N 1 1 314.458 3.742 20 30 DHEDMO Cc1c(C[N@@H+](CCC#N)CC2CC2)sc2nc(C)nc(C)c12 ZINC000769335231 1023126364 /nfs/dbraw/zinc/12/63/64/1023126364.db2.gz ISUJLEJPAYVZBU-UHFFFAOYSA-N 1 1 314.458 3.742 20 30 DHEDMO C#CC[N@H+](Cc1cc(OC)c(OC)cc1SC)C1CCCC1 ZINC000769531635 1023173561 /nfs/dbraw/zinc/17/35/61/1023173561.db2.gz VDTOXBUHIMRCCT-UHFFFAOYSA-N 1 1 319.470 3.804 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)CC(=O)Nc1ccccc1Cl ZINC000769707517 1023199203 /nfs/dbraw/zinc/19/92/03/1023199203.db2.gz JYERJGCLISYHSN-UHFFFAOYSA-N 1 1 321.852 3.930 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cccc(F)c2C#N)C1 ZINC000337638301 1033113402 /nfs/dbraw/zinc/11/34/02/1033113402.db2.gz VGVRQEJTIFTTIT-QLFBSQMISA-N 1 1 301.409 3.539 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000769961782 1023246010 /nfs/dbraw/zinc/24/60/10/1023246010.db2.gz NIBARTZREFGDFL-MRXNPFEDSA-N 1 1 322.408 3.761 20 30 DHEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC001167765698 1023268340 /nfs/dbraw/zinc/26/83/40/1023268340.db2.gz HDFLJDDZPCXFLV-QZTJIDSGSA-N 1 1 300.446 3.892 20 30 DHEDMO CC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000859310616 1033124110 /nfs/dbraw/zinc/12/41/10/1033124110.db2.gz JPKFCBVUPLMVJE-UZLBHIALSA-N 1 1 308.425 3.811 20 30 DHEDMO C=CC[C@@H]1CC[C@H](Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000651658768 1023426811 /nfs/dbraw/zinc/42/68/11/1023426811.db2.gz HTNKXUFFHUHUQO-APWZRJJASA-N 1 1 300.446 3.676 20 30 DHEDMO C=CC[N@@H+](Cc1cc(-c2ccc(C)cc2)no1)[C@@H](C)COC ZINC000661245925 1023538275 /nfs/dbraw/zinc/53/82/75/1023538275.db2.gz FBARNMLFFGLFBT-HNNXBMFYSA-N 1 1 300.402 3.673 20 30 DHEDMO C[C@H](c1cccnc1)[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000772257430 1023540103 /nfs/dbraw/zinc/54/01/03/1023540103.db2.gz RYODFYVGZDVWAN-CYBMUJFWSA-N 1 1 315.804 3.830 20 30 DHEDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000772257430 1023540105 /nfs/dbraw/zinc/54/01/05/1023540105.db2.gz RYODFYVGZDVWAN-CYBMUJFWSA-N 1 1 315.804 3.830 20 30 DHEDMO C=CCN(CC1CCCCC1)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001126063361 1023557336 /nfs/dbraw/zinc/55/73/36/1023557336.db2.gz OSPFYEPUPCNPOL-LJQANCHMSA-N 1 1 324.484 3.794 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000859445122 1033142915 /nfs/dbraw/zinc/14/29/15/1033142915.db2.gz BOQLFUPTISEJIC-QGZVFWFLSA-N 1 1 314.473 3.700 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(F)cccc2F)C1 ZINC000661378499 1023585038 /nfs/dbraw/zinc/58/50/38/1023585038.db2.gz HPKVRPBUVZFJQK-STQMWFEESA-N 1 1 308.372 3.580 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(F)cccc2F)C1 ZINC000661378499 1023585039 /nfs/dbraw/zinc/58/50/39/1023585039.db2.gz HPKVRPBUVZFJQK-STQMWFEESA-N 1 1 308.372 3.580 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000661379700 1023585233 /nfs/dbraw/zinc/58/52/33/1023585233.db2.gz GYQGRNSJXBRADF-LBPRGKRZSA-N 1 1 310.800 3.706 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000661379700 1023585238 /nfs/dbraw/zinc/58/52/38/1023585238.db2.gz GYQGRNSJXBRADF-LBPRGKRZSA-N 1 1 310.800 3.706 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+]([C@@H](C)c2nnnn2C2CCCCC2)C1 ZINC000661384619 1023586221 /nfs/dbraw/zinc/58/62/21/1023586221.db2.gz KABDITMFLKCSDN-GJZGRUSLSA-N 1 1 303.454 3.527 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)c2nnnn2C2CCCCC2)C1 ZINC000661384619 1023586227 /nfs/dbraw/zinc/58/62/27/1023586227.db2.gz KABDITMFLKCSDN-GJZGRUSLSA-N 1 1 303.454 3.527 20 30 DHEDMO CC[C@H](C)c1nc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000617097572 1023588380 /nfs/dbraw/zinc/58/83/80/1023588380.db2.gz LZQRARQEVIKURL-AHIWAGSCSA-N 1 1 323.444 3.918 20 30 DHEDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)[nH]1 ZINC000617097572 1023588384 /nfs/dbraw/zinc/58/83/84/1023588384.db2.gz LZQRARQEVIKURL-AHIWAGSCSA-N 1 1 323.444 3.918 20 30 DHEDMO Cc1[nH+]c(N)ccc1CNc1nc(-c2ccccc2)ccc1C#N ZINC001167781223 1023669534 /nfs/dbraw/zinc/66/95/34/1023669534.db2.gz IYKRCQWBCMJMQP-UHFFFAOYSA-N 1 1 315.380 3.518 20 30 DHEDMO CC(C)(C#N)CC(=O)OC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000786436139 1023691477 /nfs/dbraw/zinc/69/14/77/1023691477.db2.gz URODUWUZOLMETH-IBGZPJMESA-N 1 1 314.429 3.524 20 30 DHEDMO C=CCOCc1ncn2c1C[N@@H+]([C@H](CC)CC(C)C)CCC2 ZINC001172403451 1033154627 /nfs/dbraw/zinc/15/46/27/1033154627.db2.gz SMYVMJINDDNGKW-MRXNPFEDSA-N 1 1 305.466 3.616 20 30 DHEDMO C=CCC[N@H+](C)Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000786580231 1023709045 /nfs/dbraw/zinc/70/90/45/1023709045.db2.gz YXQLWTUWQSOKMO-UHFFFAOYSA-N 1 1 316.445 3.992 20 30 DHEDMO C=CC[N@H+](Cc1nnc(-c2ccc(OC)cc2)o1)C(C)(C)C ZINC000661755440 1023734043 /nfs/dbraw/zinc/73/40/43/1023734043.db2.gz QULVTRXXCMHFLJ-UHFFFAOYSA-N 1 1 301.390 3.532 20 30 DHEDMO C=CC[N@@H+](Cc1nc2sc(C)c(C)c2c(N)n1)C(C)(C)C ZINC000661760494 1023734971 /nfs/dbraw/zinc/73/49/71/1023734971.db2.gz WATQSRUSKCLHQB-UHFFFAOYSA-N 1 1 304.463 3.677 20 30 DHEDMO C=CC[N@H+](Cc1nc2sc(C)c(C)c2c(N)n1)C(C)(C)C ZINC000661760494 1023734981 /nfs/dbraw/zinc/73/49/81/1023734981.db2.gz WATQSRUSKCLHQB-UHFFFAOYSA-N 1 1 304.463 3.677 20 30 DHEDMO Cc1c([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)cnn1C(C)C ZINC000786918414 1023736939 /nfs/dbraw/zinc/73/69/39/1023736939.db2.gz VONFAUNRYOCGRA-LBPRGKRZSA-N 1 1 300.381 3.634 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661874057 1023789582 /nfs/dbraw/zinc/78/95/82/1023789582.db2.gz HHNDGHXAOIXZJG-PKOBYXMFSA-N 1 1 317.860 3.973 20 30 DHEDMO C#CCC(CC#C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000788279882 1023870263 /nfs/dbraw/zinc/87/02/63/1023870263.db2.gz CNVFPKYJDMKDDH-QGZVFWFLSA-N 1 1 322.452 3.520 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1Cl ZINC000538749419 1033168356 /nfs/dbraw/zinc/16/83/56/1033168356.db2.gz LVRGRWVDDKKELV-HZPDHXFCSA-N 1 1 321.848 3.763 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccc(Cl)cc1F ZINC000662078803 1023887723 /nfs/dbraw/zinc/88/77/23/1023887723.db2.gz GUZUDFQWPZUXHG-OKILXGFUSA-N 1 1 322.811 3.991 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000662078226 1023890266 /nfs/dbraw/zinc/89/02/66/1023890266.db2.gz AEOCISGPELNDEW-DTDBQYNISA-N 1 1 316.420 3.574 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1c(C)cccc1Cl ZINC000662087588 1023895006 /nfs/dbraw/zinc/89/50/06/1023895006.db2.gz FFNNKCFKDWAUFP-OKILXGFUSA-N 1 1 304.821 3.770 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1c(C)cccc1Cl ZINC000662087588 1023895013 /nfs/dbraw/zinc/89/50/13/1023895013.db2.gz FFNNKCFKDWAUFP-OKILXGFUSA-N 1 1 304.821 3.770 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OCc2nccn2C)cc1 ZINC000662087633 1023895126 /nfs/dbraw/zinc/89/51/26/1023895126.db2.gz GMBRZQJXUSEUBT-HDICACEKSA-N 1 1 323.440 3.682 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000662088549 1023897243 /nfs/dbraw/zinc/89/72/43/1023897243.db2.gz IYDZPSACTAIMQO-CALCHBBNSA-N 1 1 307.397 3.532 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Oc2ccccc2)nn1 ZINC000662088048 1023897402 /nfs/dbraw/zinc/89/74/02/1023897402.db2.gz UGJAIHQDOWZTBL-CALCHBBNSA-N 1 1 307.397 3.952 20 30 DHEDMO C=CCSCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788732711 1023932606 /nfs/dbraw/zinc/93/26/06/1023932606.db2.gz FEYAEIUYVAUDBT-SNVBAGLBSA-N 1 1 305.365 3.981 20 30 DHEDMO N#Cc1cccc(C2([NH2+][C@H]3CCc4ccc(Cl)nc43)CC2)c1 ZINC000788827228 1023942428 /nfs/dbraw/zinc/94/24/28/1023942428.db2.gz KLFREITZSLHJOI-HNNXBMFYSA-N 1 1 309.800 3.873 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000789325262 1024050041 /nfs/dbraw/zinc/05/00/41/1024050041.db2.gz AYSQTIMVCINQGR-AWEZNQCLSA-N 1 1 301.821 3.753 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000789325262 1024050059 /nfs/dbraw/zinc/05/00/59/1024050059.db2.gz AYSQTIMVCINQGR-AWEZNQCLSA-N 1 1 301.821 3.753 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCc3c2cccc3Cl)n1 ZINC000789329711 1024050433 /nfs/dbraw/zinc/05/04/33/1024050433.db2.gz QYIITJTYGPAKQX-SFHVURJKSA-N 1 1 313.832 3.679 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)[C@H]2CCc3c2cccc3Cl)n1 ZINC000789329711 1024050453 /nfs/dbraw/zinc/05/04/53/1024050453.db2.gz QYIITJTYGPAKQX-SFHVURJKSA-N 1 1 313.832 3.679 20 30 DHEDMO CC(C)OC1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000531472144 1024172790 /nfs/dbraw/zinc/17/27/90/1024172790.db2.gz UDZBZBUQOPBJPH-UHFFFAOYSA-N 1 1 324.371 3.549 20 30 DHEDMO C=C(Br)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000269615048 1024297425 /nfs/dbraw/zinc/29/74/25/1024297425.db2.gz GKNCRTHPHILCKY-UHFFFAOYSA-N 1 1 320.234 3.651 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2cnccc2C#N)cc1 ZINC000094136213 1024316463 /nfs/dbraw/zinc/31/64/63/1024316463.db2.gz LXIHVXKEOYNWON-MRXNPFEDSA-N 1 1 320.440 3.940 20 30 DHEDMO C=C(C)[C@@H](CC(=O)Nc1cccc2c1C[N@H+](CCC)C2)OCC ZINC000270046627 1024342040 /nfs/dbraw/zinc/34/20/40/1024342040.db2.gz LISOKIBFZVLXHI-GOSISDBHSA-N 1 1 316.445 3.722 20 30 DHEDMO C=C(C)[C@@H](CC(=O)Nc1cccc2c1C[N@@H+](CCC)C2)OCC ZINC000270046627 1024342056 /nfs/dbraw/zinc/34/20/56/1024342056.db2.gz LISOKIBFZVLXHI-GOSISDBHSA-N 1 1 316.445 3.722 20 30 DHEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001253227290 1024396033 /nfs/dbraw/zinc/39/60/33/1024396033.db2.gz GBOHUIVUFHMDEI-GJZGRUSLSA-N 1 1 307.400 3.943 20 30 DHEDMO C=CC[C@H]([NH2+]Cc1nccn1-c1ccccc1)c1ccncc1 ZINC000790964782 1024406925 /nfs/dbraw/zinc/40/69/25/1024406925.db2.gz KMZHHYKLMMYFST-SFHVURJKSA-N 1 1 304.397 3.674 20 30 DHEDMO C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cccc(C#N)c1 ZINC000790970386 1024409031 /nfs/dbraw/zinc/40/90/31/1024409031.db2.gz HLHCVOVNMKQJRG-SNVBAGLBSA-N 1 1 304.752 3.907 20 30 DHEDMO CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1c2ccccc2CC[C@@H]1F ZINC000883381465 1024414139 /nfs/dbraw/zinc/41/41/39/1024414139.db2.gz NMWWJPOBNRAMIW-ICSRJNTNSA-N 1 1 323.415 3.739 20 30 DHEDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc(C(F)(F)F)cc2C#N)C1 ZINC000314973129 1024417444 /nfs/dbraw/zinc/41/74/44/1024417444.db2.gz BKCBHNPRBOBVCU-LBPRGKRZSA-N 1 1 311.351 3.719 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](OC)C1CCCCC1 ZINC000660537913 1024464653 /nfs/dbraw/zinc/46/46/53/1024464653.db2.gz MXRWIZVEJXLQPZ-LJQANCHMSA-N 1 1 321.461 3.745 20 30 DHEDMO C[N@@H+]1CC[C@H](NCc2ccc(C#N)c(F)c2)C[C@H]1c1ccccc1 ZINC000453361222 1024486804 /nfs/dbraw/zinc/48/68/04/1024486804.db2.gz APKXQZXKHKVUJK-ICSRJNTNSA-N 1 1 323.415 3.622 20 30 DHEDMO C[N@H+]1CC[C@H](NCc2ccc(C#N)c(F)c2)C[C@H]1c1ccccc1 ZINC000453361222 1024486811 /nfs/dbraw/zinc/48/68/11/1024486811.db2.gz APKXQZXKHKVUJK-ICSRJNTNSA-N 1 1 323.415 3.622 20 30 DHEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000791577679 1024518839 /nfs/dbraw/zinc/51/88/39/1024518839.db2.gz COWJLPWPHJRUJO-DOMZBBRYSA-N 1 1 312.335 3.600 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC000532161283 1024568359 /nfs/dbraw/zinc/56/83/59/1024568359.db2.gz WWUMRVRXGAAAAR-HNNXBMFYSA-N 1 1 306.425 3.633 20 30 DHEDMO CC(C)C[N@@H+](Cc1cn2ccsc2n1)Cc1ccc(C#N)cc1 ZINC000339134768 1024572817 /nfs/dbraw/zinc/57/28/17/1024572817.db2.gz VQENQUOFKSOLJD-UHFFFAOYSA-N 1 1 324.453 3.926 20 30 DHEDMO CCCCCCCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000791824128 1024577989 /nfs/dbraw/zinc/57/79/89/1024577989.db2.gz PCIADMAODBTBRY-LJQANCHMSA-N 1 1 316.489 3.985 20 30 DHEDMO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339166020 1024578712 /nfs/dbraw/zinc/57/87/12/1024578712.db2.gz RCMGCXMRBYGHCI-CQSZACIVSA-N 1 1 322.250 3.921 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000339166020 1024578719 /nfs/dbraw/zinc/57/87/19/1024578719.db2.gz RCMGCXMRBYGHCI-CQSZACIVSA-N 1 1 322.250 3.921 20 30 DHEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001172495736 1033226149 /nfs/dbraw/zinc/22/61/49/1033226149.db2.gz HCOPDSFIPCXSIX-QAPCUYQASA-N 1 1 321.465 3.544 20 30 DHEDMO Cc1ccc2c(c1)C[N@H+](CCCOc1ccc(C#N)cc1)CCO2 ZINC001170163929 1024653170 /nfs/dbraw/zinc/65/31/70/1024653170.db2.gz WJWRPPPOSFTYBF-UHFFFAOYSA-N 1 1 322.408 3.530 20 30 DHEDMO COCc1cccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000347969829 1024666893 /nfs/dbraw/zinc/66/68/93/1024666893.db2.gz CAWXDXQNVKALHH-UHFFFAOYSA-N 1 1 318.420 3.994 20 30 DHEDMO CCCC1CCC([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000792467469 1024671640 /nfs/dbraw/zinc/67/16/40/1024671640.db2.gz LXVXUPPRRNHHFW-PPSBMQLTSA-N 1 1 300.446 3.882 20 30 DHEDMO CCCCCCCC[C@@H](CC)N1CC[NH+](CC(C)(C)O)CC1 ZINC001172500629 1033228078 /nfs/dbraw/zinc/22/80/78/1033228078.db2.gz BLUAFENLZOGATN-GOSISDBHSA-N 1 1 312.542 3.904 20 30 DHEDMO N#Cc1cccc([C@H](O)C[N@H+]2Cc3ccccc3C3(CCC3)C2)c1 ZINC001170171989 1024688633 /nfs/dbraw/zinc/68/86/33/1024688633.db2.gz DJWJIWRTSKZSKG-HXUWFJFHSA-N 1 1 318.420 3.529 20 30 DHEDMO N#Cc1cccc([C@@H](O)C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001170204538 1024688651 /nfs/dbraw/zinc/68/86/51/1024688651.db2.gz DCNOULQGQZCWHL-MSOLQXFVSA-N 1 1 312.800 3.692 20 30 DHEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC001170204538 1024688656 /nfs/dbraw/zinc/68/86/56/1024688656.db2.gz DCNOULQGQZCWHL-MSOLQXFVSA-N 1 1 312.800 3.692 20 30 DHEDMO C[C@H](CCCC#N)N1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172498290 1033230061 /nfs/dbraw/zinc/23/00/61/1033230061.db2.gz LCNPGHAYNINKEI-HOJAQTOUSA-N 1 1 311.473 3.523 20 30 DHEDMO C[C@H](CCCC#N)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001172498290 1033230068 /nfs/dbraw/zinc/23/00/68/1033230068.db2.gz LCNPGHAYNINKEI-HOJAQTOUSA-N 1 1 311.473 3.523 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001172500872 1033230402 /nfs/dbraw/zinc/23/04/02/1033230402.db2.gz BLHBUPJTSMALIQ-KKUMJFAQSA-N 1 1 303.837 3.685 20 30 DHEDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)cc1 ZINC000349792739 1024753317 /nfs/dbraw/zinc/75/33/17/1024753317.db2.gz YYUVITPHNRZZNK-IBGZPJMESA-N 1 1 316.408 3.852 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCCC3(COC3)C2)CC1 ZINC001170383883 1024768161 /nfs/dbraw/zinc/76/81/61/1024768161.db2.gz ROTORCKPZUKEBK-UHFFFAOYSA-N 1 1 310.441 3.503 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2Cc3cccnc3C2)CC1 ZINC001170379115 1024768224 /nfs/dbraw/zinc/76/82/24/1024768224.db2.gz QJVHJKVHZOLTRH-UHFFFAOYSA-N 1 1 303.409 3.801 20 30 DHEDMO CCC[N@@H+]([C@@H](C)CCCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001172509940 1033237930 /nfs/dbraw/zinc/23/79/30/1033237930.db2.gz SSEISULXLPDJCW-HOTGVXAUSA-N 1 1 323.481 3.790 20 30 DHEDMO C=C(C)C[N@H+](CCCCCS(=O)(=O)CC)Cc1ccccc1 ZINC000279212832 1024794493 /nfs/dbraw/zinc/79/44/93/1024794493.db2.gz CAGPSRYUZOWRJU-UHFFFAOYSA-N 1 1 323.502 3.670 20 30 DHEDMO COc1cccc(O[C@H]2CCC[N@H+]([C@@H](C)CCCC#N)C2)c1 ZINC001172507149 1033235351 /nfs/dbraw/zinc/23/53/51/1033235351.db2.gz QBIOHIPCNHBCMX-YJBOKZPZSA-N 1 1 302.418 3.621 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@]12CCN(CC=C(C)C)C2=O ZINC001275111474 1024918440 /nfs/dbraw/zinc/91/84/40/1024918440.db2.gz MPEHIYPKWYQQJC-LJQANCHMSA-N 1 1 306.494 3.990 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+](CCCCCC)CC2)C1=O ZINC001275110658 1024919045 /nfs/dbraw/zinc/91/90/45/1024919045.db2.gz CCGNQNGPCLNYSZ-IBGZPJMESA-N 1 1 306.494 3.847 20 30 DHEDMO C#CCN1CC[C@]2(CCC[N@H+](CCCCCCCC)CC2)C1=O ZINC001275114356 1024921017 /nfs/dbraw/zinc/92/10/17/1024921017.db2.gz MWUDXLYEBHTAMS-HXUWFJFHSA-N 1 1 318.505 3.685 20 30 DHEDMO C[C@H]1C(N=Nc2cccc(Cl)n2)CC[N@H+]1Cc1ccccc1 ZINC000793175918 1024921187 /nfs/dbraw/zinc/92/11/87/1024921187.db2.gz XROHWNCIVYCPDX-ZDUSSCGKSA-N 1 1 314.820 3.797 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@@]2(CCN(CCCC#N)C2=O)C1 ZINC001275114290 1024922141 /nfs/dbraw/zinc/92/21/41/1024922141.db2.gz LXYSMJVSTXEAHQ-LJQANCHMSA-N 1 1 319.493 3.575 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+](CCC(C)(C)C)CC2)C1=O ZINC001275125926 1024923133 /nfs/dbraw/zinc/92/31/33/1024923133.db2.gz ARVRMBYVUIHOPK-IBGZPJMESA-N 1 1 306.494 3.703 20 30 DHEDMO C=CCN1c2ccccc2[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1=O ZINC001275126656 1024925675 /nfs/dbraw/zinc/92/56/75/1024925675.db2.gz GDRVCXJHGKDFDU-HXUWFJFHSA-N 1 1 312.457 3.599 20 30 DHEDMO CC(C)c1[nH+]c(CN=Nc2cccc(Cl)n2)c2ccccn21 ZINC000793180855 1024925691 /nfs/dbraw/zinc/92/56/91/1024925691.db2.gz BWMBMTVOXWWYDW-UHFFFAOYSA-N 1 1 313.792 3.952 20 30 DHEDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000353116544 1024952827 /nfs/dbraw/zinc/95/28/27/1024952827.db2.gz GYEBRGVITYGJOP-QGZVFWFLSA-N 1 1 316.408 3.504 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@](C)(OC)CC1 ZINC000793340490 1024984151 /nfs/dbraw/zinc/98/41/51/1024984151.db2.gz OZNGONLNFWITNC-GOSISDBHSA-N 1 1 321.848 3.743 20 30 DHEDMO C=CC[C@@H]1[N@@H+](Cc2ccc3c(c2)oc(=O)n3C)CCCC1(C)C ZINC000353237307 1024997243 /nfs/dbraw/zinc/99/72/43/1024997243.db2.gz TWEIPHUUKKTFDL-KRWDZBQOSA-N 1 1 314.429 3.698 20 30 DHEDMO [NH2+]=CNc1cnc(N=C(c2ccccc2)c2ccccc2)nc1 ZINC001167871077 1025016715 /nfs/dbraw/zinc/01/67/15/1025016715.db2.gz HKXUADIQZOSFFV-UHFFFAOYSA-N 1 1 301.353 3.665 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134869384 1033250145 /nfs/dbraw/zinc/25/01/45/1033250145.db2.gz ARCSQHHSPYBHFC-XFQXTVEOSA-N 1 1 309.457 3.568 20 30 DHEDMO C=C1CC[NH+](Cc2cn(C)nc2-c2ccccc2Cl)CC1 ZINC000353331249 1025031396 /nfs/dbraw/zinc/03/13/96/1025031396.db2.gz VBZDVPLRRIOTHB-UHFFFAOYSA-N 1 1 301.821 3.893 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1C(C)(C)C#N ZINC000135120996 1033261857 /nfs/dbraw/zinc/26/18/57/1033261857.db2.gz KAIGZRGZPBNNAO-UHFFFAOYSA-N 1 1 303.409 3.991 20 30 DHEDMO COCC[N@@H+](Cc1ccco1)Cc1ccccc1C(C)(C)C#N ZINC000135121575 1033262927 /nfs/dbraw/zinc/26/29/27/1033262927.db2.gz FRHASTWYFYTIGT-UHFFFAOYSA-N 1 1 312.413 3.729 20 30 DHEDMO COc1cc(C[NH2+][C@@H](C)c2cccc(F)c2F)ccc1C#N ZINC000353641183 1025172114 /nfs/dbraw/zinc/17/21/14/1025172114.db2.gz IJQWTYAVSKBEJH-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)o2)C12CCCCC2 ZINC000353668690 1025191482 /nfs/dbraw/zinc/19/14/82/1025191482.db2.gz ZHYKQBUCOYWHOR-SJORKVTESA-N 1 1 302.418 3.711 20 30 DHEDMO C#CCCCCCC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000794233672 1025238034 /nfs/dbraw/zinc/23/80/34/1025238034.db2.gz OZRJXXIMLKHYRQ-UHFFFAOYSA-N 1 1 306.837 3.924 20 30 DHEDMO COCCSc1ccc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000112543569 1025250123 /nfs/dbraw/zinc/25/01/23/1025250123.db2.gz TWBLNCOVJJTWJZ-CABCVRRESA-N 1 1 317.458 3.519 20 30 DHEDMO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352831062 1025281969 /nfs/dbraw/zinc/28/19/69/1025281969.db2.gz BTCRAKFJMDGBLH-GFCCVEGCSA-N 1 1 301.415 3.653 20 30 DHEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C3CCC(C)CC3)C2)C1 ZINC001168209991 1025321906 /nfs/dbraw/zinc/32/19/06/1025321906.db2.gz BIEXXSBJVMRSKY-TVPLGVNVSA-N 1 1 320.477 3.676 20 30 DHEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C1CCC(C)CC1)C2 ZINC001168211648 1025326046 /nfs/dbraw/zinc/32/60/46/1025326046.db2.gz GCWDIALQKXMIEU-TVPLGVNVSA-N 1 1 304.478 3.598 20 30 DHEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000053211301 1025334522 /nfs/dbraw/zinc/33/45/22/1025334522.db2.gz XLWWAVUHPHCCTC-HNNXBMFYSA-N 1 1 317.458 3.603 20 30 DHEDMO CC[N@@H+](CC(C)(C)CCC#N)[C@@H](COC)Cc1ccccc1 ZINC000354053858 1025338676 /nfs/dbraw/zinc/33/86/76/1025338676.db2.gz OQUKARPRSMFUCD-GOSISDBHSA-N 1 1 302.462 3.896 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H]2CSC)ccc1OC ZINC000354078811 1025343415 /nfs/dbraw/zinc/34/34/15/1025343415.db2.gz YSOJHPCENFFNSG-INIZCTEOSA-N 1 1 321.486 3.978 20 30 DHEDMO C=CCOc1cccc(C[N@H+](CCOC)Cc2ccc(C)o2)c1 ZINC000354116300 1025359744 /nfs/dbraw/zinc/35/97/44/1025359744.db2.gz LFXUAZIHSHJGDN-UHFFFAOYSA-N 1 1 315.413 3.801 20 30 DHEDMO C=CCOc1cccc(C[N@@H+](CCOC)Cc2ccc(C)o2)c1 ZINC000354116300 1025359759 /nfs/dbraw/zinc/35/97/59/1025359759.db2.gz LFXUAZIHSHJGDN-UHFFFAOYSA-N 1 1 315.413 3.801 20 30 DHEDMO CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001170457197 1025360011 /nfs/dbraw/zinc/36/00/11/1025360011.db2.gz YFHZZGMPXCCFHP-SFHVURJKSA-N 1 1 322.408 3.740 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC000885937898 1025413387 /nfs/dbraw/zinc/41/33/87/1025413387.db2.gz MKDORPFJLCRKAZ-IAGOWNOFSA-N 1 1 318.848 3.922 20 30 DHEDMO N#CC1(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2ccccc2)CCC1 ZINC000885946074 1025415366 /nfs/dbraw/zinc/41/53/66/1025415366.db2.gz DIRVTAWHDQESBD-SFHVURJKSA-N 1 1 324.424 3.727 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2CCc2ccccc2)CCC1 ZINC000885959324 1025419395 /nfs/dbraw/zinc/41/93/95/1025419395.db2.gz YGXPIHPWZCXZPE-RTBURBONSA-N 1 1 312.457 3.528 20 30 DHEDMO Cc1ccc([C@H](C)[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)c(C)c1 ZINC000885963460 1025421260 /nfs/dbraw/zinc/42/12/60/1025421260.db2.gz OAZNOTYQYAIXRT-DLBZAZTESA-N 1 1 300.446 3.741 20 30 DHEDMO C=CCCCCC[N@@H+]1CC[C@]2(CCN(CC=C(C)C)C2=O)C1 ZINC001275325928 1025429776 /nfs/dbraw/zinc/42/97/76/1025429776.db2.gz SEXCXNYKCWJBRU-IBGZPJMESA-N 1 1 304.478 3.623 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)CCC1 ZINC000886008514 1025436017 /nfs/dbraw/zinc/43/60/17/1025436017.db2.gz OOVAABGKYHMOCB-PBHICJAKSA-N 1 1 320.383 3.547 20 30 DHEDMO Cc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)CC2(C#N)CCC2)o1 ZINC000886017056 1025440834 /nfs/dbraw/zinc/44/08/34/1025440834.db2.gz RCTUJZLGGIZEJI-IRXDYDNUSA-N 1 1 316.445 3.950 20 30 DHEDMO C#CCN1CC[C@@]2(CCC[N@@H+]2CCCCCCCCC=C)C1=O ZINC001275336505 1025454237 /nfs/dbraw/zinc/45/42/37/1025454237.db2.gz DNZXIXLGEKGLKT-FQEVSTJZSA-N 1 1 316.489 3.603 20 30 DHEDMO C=C(C)C[N@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000728917319 1025455075 /nfs/dbraw/zinc/45/50/75/1025455075.db2.gz YUYWQTQGPLGCCN-HOTGVXAUSA-N 1 1 308.466 3.817 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000354555706 1025455257 /nfs/dbraw/zinc/45/52/57/1025455257.db2.gz AGZPNLSYYWTMTO-OAHLLOKOSA-N 1 1 308.491 3.770 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000354555706 1025455263 /nfs/dbraw/zinc/45/52/63/1025455263.db2.gz AGZPNLSYYWTMTO-OAHLLOKOSA-N 1 1 308.491 3.770 20 30 DHEDMO C[C@H](c1ccccc1F)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000051591785 1025462843 /nfs/dbraw/zinc/46/28/43/1025462843.db2.gz IQFUHDSHSRUALN-MRXNPFEDSA-N 1 1 323.415 3.576 20 30 DHEDMO C[C@H](c1ccccc1F)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000051591785 1025462855 /nfs/dbraw/zinc/46/28/55/1025462855.db2.gz IQFUHDSHSRUALN-MRXNPFEDSA-N 1 1 323.415 3.576 20 30 DHEDMO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000354791353 1025508766 /nfs/dbraw/zinc/50/87/66/1025508766.db2.gz LYYHBKQVBBJDFX-LBPRGKRZSA-N 1 1 317.339 3.748 20 30 DHEDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000354791353 1025508776 /nfs/dbraw/zinc/50/87/76/1025508776.db2.gz LYYHBKQVBBJDFX-LBPRGKRZSA-N 1 1 317.339 3.748 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000126960016 1025525152 /nfs/dbraw/zinc/52/51/52/1025525152.db2.gz LNKIOQHDQHSVPD-MJGOQNOKSA-N 1 1 314.404 3.569 20 30 DHEDMO C[C@@H](CC[N@@H+](C)Cc1ccc(C#N)cc1)OCc1ccccc1 ZINC000354870945 1025529953 /nfs/dbraw/zinc/52/99/53/1025529953.db2.gz LDTJRGPTBSYGKA-KRWDZBQOSA-N 1 1 308.425 3.985 20 30 DHEDMO C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1ccns1 ZINC000860054284 1033288865 /nfs/dbraw/zinc/28/88/65/1033288865.db2.gz NOMIBZDAOKUBMH-SNVBAGLBSA-N 1 1 307.806 3.550 20 30 DHEDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@@H](O)CC3(C#N)CCC3)C2)cc1 ZINC000886176732 1025548654 /nfs/dbraw/zinc/54/86/54/1025548654.db2.gz KBMQCUKRVFMXEN-UHOSZYNNSA-N 1 1 312.457 3.618 20 30 DHEDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@H](O)CC3(C#N)CCC3)C2)cc1 ZINC000886176729 1025548978 /nfs/dbraw/zinc/54/89/78/1025548978.db2.gz KBMQCUKRVFMXEN-BHIYHBOVSA-N 1 1 312.457 3.618 20 30 DHEDMO Cc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)CC3(C#N)CCC3)C2)c(C)c1 ZINC000886181297 1025551784 /nfs/dbraw/zinc/55/17/84/1025551784.db2.gz JGCBDZKFSQWHHT-MSOLQXFVSA-N 1 1 312.457 3.538 20 30 DHEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886207516 1025557666 /nfs/dbraw/zinc/55/76/66/1025557666.db2.gz FENJDFUWNZDGRC-SJLPKXTDSA-N 1 1 316.445 3.523 20 30 DHEDMO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886237280 1025568287 /nfs/dbraw/zinc/56/82/87/1025568287.db2.gz ZRJCTLFJEYERSI-FUHWJXTLSA-N 1 1 316.420 3.716 20 30 DHEDMO CCc1cnc(C[NH2+]Cc2ccc(SC)c(C#N)c2)s1 ZINC000886277283 1025577844 /nfs/dbraw/zinc/57/78/44/1025577844.db2.gz MDMSTYSQALKLRN-UHFFFAOYSA-N 1 1 303.456 3.589 20 30 DHEDMO N#CCC[C@H](Nc1cc[nH+]cc1Br)c1ccccc1 ZINC000355090517 1025601555 /nfs/dbraw/zinc/60/15/55/1025601555.db2.gz HFIUBSOEVIFOOU-AWEZNQCLSA-N 1 1 316.202 3.723 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000886362611 1025604156 /nfs/dbraw/zinc/60/41/56/1025604156.db2.gz FRDIXABJXAGKQB-KRWDZBQOSA-N 1 1 318.420 3.784 20 30 DHEDMO C#CC[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000886366103 1025606260 /nfs/dbraw/zinc/60/62/60/1025606260.db2.gz XCMMBAYDVXZZJK-OAHLLOKOSA-N 1 1 317.392 3.735 20 30 DHEDMO CC[N@@H+](Cc1cnc2onc(C)c2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000893950749 1025622029 /nfs/dbraw/zinc/62/20/29/1025622029.db2.gz AFYZJABYKWOJGV-AWEZNQCLSA-N 1 1 320.396 3.986 20 30 DHEDMO N#CCCC[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000067399345 1025640079 /nfs/dbraw/zinc/64/00/79/1025640079.db2.gz FZCYGWWDUOYHJA-UHFFFAOYSA-N 1 1 308.425 3.764 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000355252643 1025654986 /nfs/dbraw/zinc/65/49/86/1025654986.db2.gz JXBDXKNHSUMCQV-VQIMIIECSA-N 1 1 311.429 3.531 20 30 DHEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000805835440 1025679869 /nfs/dbraw/zinc/67/98/69/1025679869.db2.gz MTNLRNSZVKYMQB-RBUKOAKNSA-N 1 1 324.424 3.683 20 30 DHEDMO Cc1cccc(NCCNc2cc(C#N)ccc2C(F)(F)F)[nH+]1 ZINC000355379351 1025700071 /nfs/dbraw/zinc/70/00/71/1025700071.db2.gz SQOJXYINIAKNEI-UHFFFAOYSA-N 1 1 320.318 3.805 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC000886612610 1025736373 /nfs/dbraw/zinc/73/63/73/1025736373.db2.gz PSCOAMHNFMIBDI-HOCLYGCPSA-N 1 1 324.346 3.753 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886612434 1025738500 /nfs/dbraw/zinc/73/85/00/1025738500.db2.gz LABNJYQVFBQQQP-ZFWWWQNUSA-N 1 1 312.310 3.862 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886612434 1025738508 /nfs/dbraw/zinc/73/85/08/1025738508.db2.gz LABNJYQVFBQQQP-ZFWWWQNUSA-N 1 1 312.310 3.862 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886613701 1025739271 /nfs/dbraw/zinc/73/92/71/1025739271.db2.gz BYEGXBOCJMWSQH-ZFWWWQNUSA-N 1 1 312.310 3.862 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886613701 1025739290 /nfs/dbraw/zinc/73/92/90/1025739290.db2.gz BYEGXBOCJMWSQH-ZFWWWQNUSA-N 1 1 312.310 3.862 20 30 DHEDMO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072543816 1025758728 /nfs/dbraw/zinc/75/87/28/1025758728.db2.gz GUABQPZJUBFLHK-AWEZNQCLSA-N 1 1 317.458 3.505 20 30 DHEDMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072543816 1025758743 /nfs/dbraw/zinc/75/87/43/1025758743.db2.gz GUABQPZJUBFLHK-AWEZNQCLSA-N 1 1 317.458 3.505 20 30 DHEDMO C=C(Br)C[N@H+]1CCC[C@H](Cc2nc(C)cs2)C1 ZINC000886696601 1025808119 /nfs/dbraw/zinc/80/81/19/1025808119.db2.gz RLGBPESCJLDXPT-GFCCVEGCSA-N 1 1 315.280 3.615 20 30 DHEDMO C=C(Br)C[N@@H+]1CCC[C@H](Cc2nc(C)cs2)C1 ZINC000886696601 1025808140 /nfs/dbraw/zinc/80/81/40/1025808140.db2.gz RLGBPESCJLDXPT-GFCCVEGCSA-N 1 1 315.280 3.615 20 30 DHEDMO COC(=O)CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)CC(C)C ZINC000614162946 1025785974 /nfs/dbraw/zinc/78/59/74/1025785974.db2.gz HANRKYWKWIIOAH-UHFFFAOYSA-N 1 1 316.445 3.509 20 30 DHEDMO CC(C)[NH+]1CCC(N(C)Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614166875 1025787115 /nfs/dbraw/zinc/78/71/15/1025787115.db2.gz VJHKIAPRNYDQRN-UHFFFAOYSA-N 1 1 313.489 3.792 20 30 DHEDMO CC(C)N1CCC([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614166875 1025787129 /nfs/dbraw/zinc/78/71/29/1025787129.db2.gz VJHKIAPRNYDQRN-UHFFFAOYSA-N 1 1 313.489 3.792 20 30 DHEDMO CC(C)N1CCC([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614166875 1025787144 /nfs/dbraw/zinc/78/71/44/1025787144.db2.gz VJHKIAPRNYDQRN-UHFFFAOYSA-N 1 1 313.489 3.792 20 30 DHEDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614167379 1025793368 /nfs/dbraw/zinc/79/33/68/1025793368.db2.gz FAIXXFFCOUXBNJ-KRWDZBQOSA-N 1 1 300.446 3.736 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000614175564 1025807572 /nfs/dbraw/zinc/80/75/72/1025807572.db2.gz WBSWYXBBKOBBLP-UHFFFAOYSA-N 1 1 306.409 3.752 20 30 DHEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000614175411 1025811019 /nfs/dbraw/zinc/81/10/19/1025811019.db2.gz MFAPOHDVWMMXBA-LPHOPBHVSA-N 1 1 313.489 3.650 20 30 DHEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000614175411 1025811040 /nfs/dbraw/zinc/81/10/40/1025811040.db2.gz MFAPOHDVWMMXBA-LPHOPBHVSA-N 1 1 313.489 3.650 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2ncc(-c3ccccc3C)o2)CC1 ZINC000886766199 1025882723 /nfs/dbraw/zinc/88/27/23/1025882723.db2.gz FATKKQLBVCIKBT-UHFFFAOYSA-N 1 1 312.413 3.553 20 30 DHEDMO C#CCC(CC#C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000806493727 1025899366 /nfs/dbraw/zinc/89/93/66/1025899366.db2.gz BXAKSKRYBDAZTO-KRWDZBQOSA-N 1 1 322.452 3.662 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)n1 ZINC000356063793 1025932095 /nfs/dbraw/zinc/93/20/95/1025932095.db2.gz XEBSMUIUVXDNIJ-CQSZACIVSA-N 1 1 317.845 3.875 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)n1 ZINC000356063793 1025932120 /nfs/dbraw/zinc/93/21/20/1025932120.db2.gz XEBSMUIUVXDNIJ-CQSZACIVSA-N 1 1 317.845 3.875 20 30 DHEDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000614219126 1025936727 /nfs/dbraw/zinc/93/67/27/1025936727.db2.gz ZEOPQBHBEPOGHN-KSSFIOAISA-N 1 1 308.429 3.673 20 30 DHEDMO C[C@@H]1SCC[N@@H+](CCCSCC#N)[C@H]1c1ccccc1 ZINC000080628994 1025974335 /nfs/dbraw/zinc/97/43/35/1025974335.db2.gz KJFIBFCRHHUEOP-GOEBONIOSA-N 1 1 306.500 3.812 20 30 DHEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2nc(C#N)cs2)CC1 ZINC000356351311 1026028344 /nfs/dbraw/zinc/02/83/44/1026028344.db2.gz YHHRNSLZPPUZNT-GOSISDBHSA-N 1 1 311.454 3.959 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)[C@H](C)C1 ZINC001137638194 1026059926 /nfs/dbraw/zinc/05/99/26/1026059926.db2.gz VURQOXHQYPWXHG-VXGBXAGGSA-N 1 1 307.235 3.941 20 30 DHEDMO C=C(C)C[N@@H+](CC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883542 1026072743 /nfs/dbraw/zinc/07/27/43/1026072743.db2.gz PWAUMSHBHAZKBZ-UHFFFAOYSA-N 1 1 301.346 3.648 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883542 1026072755 /nfs/dbraw/zinc/07/27/55/1026072755.db2.gz PWAUMSHBHAZKBZ-UHFFFAOYSA-N 1 1 301.346 3.648 20 30 DHEDMO C=CCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000807573073 1026084600 /nfs/dbraw/zinc/08/46/00/1026084600.db2.gz ZRNMYNMPCOMTFR-IRXDYDNUSA-N 1 1 309.498 3.637 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1Br)C[C@@H]1CC1(C)C ZINC001137639196 1026121760 /nfs/dbraw/zinc/12/17/60/1026121760.db2.gz RAQASRSDWODJFP-ZDUSSCGKSA-N 1 1 307.235 3.799 20 30 DHEDMO C#C[C@@H](NC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)C(C)(C)C ZINC000807881907 1026133323 /nfs/dbraw/zinc/13/33/23/1026133323.db2.gz SPLDHAYOTCSARX-GOSISDBHSA-N 1 1 314.473 3.695 20 30 DHEDMO C=CCCC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245758076 1026200406 /nfs/dbraw/zinc/20/04/06/1026200406.db2.gz YTQJKSOVXZXPEP-CXAGYDPISA-N 1 1 324.827 3.554 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)Cc2ccc(C#N)cc2C)cc1 ZINC000614397655 1026292010 /nfs/dbraw/zinc/29/20/10/1026292010.db2.gz MINTZTNZJAUBME-UHFFFAOYSA-N 1 1 308.425 3.940 20 30 DHEDMO Cc1cc(C#N)ccc1CN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000614401891 1026296631 /nfs/dbraw/zinc/29/66/31/1026296631.db2.gz NSJHVMFUXYHDHG-QKLQHJQFSA-N 1 1 311.473 3.704 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000614406213 1026300825 /nfs/dbraw/zinc/30/08/25/1026300825.db2.gz XEKXQLMJINKYKF-OAQYLSRUSA-N 1 1 320.436 3.700 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000614406213 1026300837 /nfs/dbraw/zinc/30/08/37/1026300837.db2.gz XEKXQLMJINKYKF-OAQYLSRUSA-N 1 1 320.436 3.700 20 30 DHEDMO CC(C)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCCC1 ZINC000322357521 1026326840 /nfs/dbraw/zinc/32/68/40/1026326840.db2.gz VWEDUSSTKQYLRL-UHFFFAOYSA-N 1 1 313.445 3.787 20 30 DHEDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cccc1[N+](=O)[O-] ZINC000151148625 1026455680 /nfs/dbraw/zinc/45/56/80/1026455680.db2.gz GJVMCEKSUVEBMS-GFCCVEGCSA-N 1 1 313.332 3.765 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)c(F)c1 ZINC000151141703 1026455910 /nfs/dbraw/zinc/45/59/10/1026455910.db2.gz VZJJPOJJEVEKGV-KRWDZBQOSA-N 1 1 314.335 3.840 20 30 DHEDMO C#Cc1ccc(C[N@H+](CC)Cc2ccc(OC)c(OC)c2)cc1 ZINC000809540148 1026547881 /nfs/dbraw/zinc/54/78/81/1026547881.db2.gz LVUKACFPFZSFNE-UHFFFAOYSA-N 1 1 309.409 3.707 20 30 DHEDMO C#Cc1ccc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000809556114 1026559542 /nfs/dbraw/zinc/55/95/42/1026559542.db2.gz ICTRBSNIMRNNJB-GHTZIAJQSA-N 1 1 310.485 3.754 20 30 DHEDMO C#Cc1ccc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000809593989 1026569601 /nfs/dbraw/zinc/56/96/01/1026569601.db2.gz SKZHIUPKVIZWAR-NRFANRHFSA-N 1 1 305.421 3.502 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000809642537 1026580723 /nfs/dbraw/zinc/58/07/23/1026580723.db2.gz HADMXNGFXYISMB-OAQYLSRUSA-N 1 1 303.405 3.689 20 30 DHEDMO C#C[C@H](C)[NH2+]Cc1c(C)nn(-c2cc(C)ccc2C)c1Cl ZINC000809683843 1026592801 /nfs/dbraw/zinc/59/28/01/1026592801.db2.gz RJELLVWMGAUCNP-ZDUSSCGKSA-N 1 1 301.821 3.562 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000809715905 1026601365 /nfs/dbraw/zinc/60/13/65/1026601365.db2.gz HVKHHRIIDFLNIW-UHFFFAOYSA-N 1 1 317.436 3.672 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000809763485 1026619663 /nfs/dbraw/zinc/61/96/63/1026619663.db2.gz NXXMGJAUGCUIHZ-OAHLLOKOSA-N 1 1 307.397 3.537 20 30 DHEDMO C#CC(C)(C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809989454 1026656265 /nfs/dbraw/zinc/65/62/65/1026656265.db2.gz XANLMDMSCYOLSX-UHFFFAOYSA-N 1 1 301.173 3.745 20 30 DHEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809989454 1026656271 /nfs/dbraw/zinc/65/62/71/1026656271.db2.gz XANLMDMSCYOLSX-UHFFFAOYSA-N 1 1 301.173 3.745 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000810067418 1026678035 /nfs/dbraw/zinc/67/80/35/1026678035.db2.gz VRJICTDJDHNBOA-CQSZACIVSA-N 1 1 322.415 3.737 20 30 DHEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)c1 ZINC000810145548 1026692909 /nfs/dbraw/zinc/69/29/09/1026692909.db2.gz DTDHDHBLHJIQRV-UHFFFAOYSA-N 1 1 324.277 3.712 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183368562 1026850441 /nfs/dbraw/zinc/85/04/41/1026850441.db2.gz UCDHSGIGLSSGLA-LIRRHRJNSA-N 1 1 310.372 3.912 20 30 DHEDMO C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccccc1)c1ccc(C#N)s1 ZINC000366683630 1026857132 /nfs/dbraw/zinc/85/71/32/1026857132.db2.gz VUQRQMNTOHBOTD-UGSOOPFHSA-N 1 1 322.437 3.793 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)ccc1C#N ZINC000421393977 1026979384 /nfs/dbraw/zinc/97/93/84/1026979384.db2.gz SBIYNJYKPJFNAB-CYBMUJFWSA-N 1 1 312.335 3.731 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(C(=O)OC)cc1)c1ccc(Cl)cc1 ZINC000811516660 1027018930 /nfs/dbraw/zinc/01/89/30/1027018930.db2.gz RGPSBKJXAUYIDQ-QGZVFWFLSA-N 1 1 313.784 3.591 20 30 DHEDMO N#CCOc1ccc(C[NH2+]Cc2ccnc(Cl)c2Cl)cc1 ZINC000811480519 1027018977 /nfs/dbraw/zinc/01/89/77/1027018977.db2.gz WTYJAQGFHOPJTA-UHFFFAOYSA-N 1 1 322.195 3.581 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1cnc2cccc(C)n12)c1ccc(Cl)cc1 ZINC000811517681 1027019717 /nfs/dbraw/zinc/01/97/17/1027019717.db2.gz ZJHQMPLSKFHHBV-QGZVFWFLSA-N 1 1 309.800 3.760 20 30 DHEDMO C=CC[NH+]1CCC(N[C@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421838254 1027063416 /nfs/dbraw/zinc/06/34/16/1027063416.db2.gz VCVOLLIRVMRYTL-CYBMUJFWSA-N 1 1 308.853 3.650 20 30 DHEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000156467294 1027109739 /nfs/dbraw/zinc/10/97/39/1027109739.db2.gz QSDPGJYRKHSYNM-SCWSEQNSSA-N 1 1 320.436 3.778 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000561960533 1027144080 /nfs/dbraw/zinc/14/40/80/1027144080.db2.gz ASXGGRGUXLNMOW-GOEBONIOSA-N 1 1 320.502 3.944 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000561960533 1027144091 /nfs/dbraw/zinc/14/40/91/1027144091.db2.gz ASXGGRGUXLNMOW-GOEBONIOSA-N 1 1 320.502 3.944 20 30 DHEDMO CN(C)CC[N@@H+](CCCc1ccccc1)Cc1cccc(C#N)c1 ZINC000561976450 1027156180 /nfs/dbraw/zinc/15/61/80/1027156180.db2.gz GBXNVPUWGCYKNZ-UHFFFAOYSA-N 1 1 321.468 3.555 20 30 DHEDMO C[NH+](C)CCN(CCCc1ccccc1)Cc1cccc(C#N)c1 ZINC000561976450 1027156185 /nfs/dbraw/zinc/15/61/85/1027156185.db2.gz GBXNVPUWGCYKNZ-UHFFFAOYSA-N 1 1 321.468 3.555 20 30 DHEDMO CCCC[C@@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000572170219 1027180304 /nfs/dbraw/zinc/18/03/04/1027180304.db2.gz IPOQJTNOHLNTOZ-OAHLLOKOSA-N 1 1 310.445 3.969 20 30 DHEDMO C[C@@H]1CC[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000362436806 1027204068 /nfs/dbraw/zinc/20/40/68/1027204068.db2.gz HRZOJPYRJZXIHS-CHWSQXEVSA-N 1 1 319.836 3.661 20 30 DHEDMO CC(=[NH+]OCCOC(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000812240472 1027221483 /nfs/dbraw/zinc/22/14/83/1027221483.db2.gz RYIJTELDKBNBTL-UHFFFAOYSA-N 1 1 322.424 3.982 20 30 DHEDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000931745160 1027242675 /nfs/dbraw/zinc/24/26/75/1027242675.db2.gz YRRKFPXJKDURER-GOSISDBHSA-N 1 1 300.446 3.824 20 30 DHEDMO CC(C)CCC(N)=[NH+]OCc1ccc(C#N)cc1Br ZINC000778029136 1027268225 /nfs/dbraw/zinc/26/82/25/1027268225.db2.gz QUCIRLRNIXZUDI-UHFFFAOYSA-N 1 1 324.222 3.755 20 30 DHEDMO C=CCSc1ccccc1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000362817438 1027401119 /nfs/dbraw/zinc/40/11/19/1027401119.db2.gz LJXQTOKAUVDMAW-GJZGRUSLSA-N 1 1 318.486 3.519 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)ccc1F ZINC000932195363 1027407870 /nfs/dbraw/zinc/40/78/70/1027407870.db2.gz BFUPDIRESAETFP-ZDUSSCGKSA-N 1 1 315.417 3.609 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932200144 1027409731 /nfs/dbraw/zinc/40/97/31/1027409731.db2.gz CLBIYKFKAHDIKS-MRXNPFEDSA-N 1 1 311.454 3.778 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc(F)cc1 ZINC000812792453 1027411753 /nfs/dbraw/zinc/41/17/53/1027411753.db2.gz AJRCWRJVKJZENM-INIZCTEOSA-N 1 1 305.299 3.891 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OC(=O)CCCC#N ZINC000813095949 1027515559 /nfs/dbraw/zinc/51/55/59/1027515559.db2.gz ABNSOEPWZCGADK-QGZVFWFLSA-N 1 1 314.429 3.524 20 30 DHEDMO CCc1ccccc1[C@@H]([NH3+])CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000423505271 1027568129 /nfs/dbraw/zinc/56/81/29/1027568129.db2.gz OGQNMVMPIGSAJP-YJYMSZOUSA-N 1 1 311.404 3.610 20 30 DHEDMO CC[C@@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(C#N)cc1 ZINC000423528910 1027574865 /nfs/dbraw/zinc/57/48/65/1027574865.db2.gz PBOHIAFXWNCRQX-YTVQSGDASA-N 1 1 323.484 3.753 20 30 DHEDMO C[C@]1(Cc2cc(Cl)cs2)CCC[N@H+]1CCOCCC#N ZINC000932917671 1027646734 /nfs/dbraw/zinc/64/67/34/1027646734.db2.gz CECZHUNODVVQBE-OAHLLOKOSA-N 1 1 312.866 3.729 20 30 DHEDMO C[C@@]1(Cc2cccs2)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000932924251 1027653200 /nfs/dbraw/zinc/65/32/00/1027653200.db2.gz YAKAPMOOGLEWMX-RDJZCZTQSA-N 1 1 318.486 3.590 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccc(C#N)c1 ZINC000778156487 1027676518 /nfs/dbraw/zinc/67/65/18/1027676518.db2.gz UIXQIPVMXMHXCD-UHFFFAOYSA-N 1 1 310.784 3.513 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000576987554 1027690017 /nfs/dbraw/zinc/69/00/17/1027690017.db2.gz SMVQDYWSRXQKRX-CQSZACIVSA-N 1 1 319.405 3.600 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)o1 ZINC000813783487 1027710762 /nfs/dbraw/zinc/71/07/62/1027710762.db2.gz UUVQGQGIGRLZOQ-UXHICEINSA-N 1 1 318.376 3.716 20 30 DHEDMO CCCc1nc(C)c(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)o1 ZINC000813792626 1027713714 /nfs/dbraw/zinc/71/37/14/1027713714.db2.gz SRROMPCWDVWGAM-CYBMUJFWSA-N 1 1 313.401 3.516 20 30 DHEDMO C[C@@]1([NH2+]Cc2ccc(C#N)cc2Cl)CCOc2ccccc21 ZINC000933373002 1027723757 /nfs/dbraw/zinc/72/37/57/1027723757.db2.gz ZWFJQTDOOAXCLQ-GOSISDBHSA-N 1 1 312.800 3.999 20 30 DHEDMO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCCC/C=C\CC ZINC001275863141 1027766083 /nfs/dbraw/zinc/76/60/83/1027766083.db2.gz WXBACIXRTCNDGQ-PRPIBZDOSA-N 1 1 316.489 3.603 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)CCO2)cc1 ZINC000933631849 1027783057 /nfs/dbraw/zinc/78/30/57/1027783057.db2.gz MAGZWLRGPSUFJC-HXUWFJFHSA-N 1 1 317.392 3.613 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)CCO2)cc1 ZINC000933631849 1027783078 /nfs/dbraw/zinc/78/30/78/1027783078.db2.gz MAGZWLRGPSUFJC-HXUWFJFHSA-N 1 1 317.392 3.613 20 30 DHEDMO C[C@H](c1cccc(Cl)c1F)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933646835 1027785926 /nfs/dbraw/zinc/78/59/26/1027785926.db2.gz PYTBHRADLPUXKY-GFCCVEGCSA-N 1 1 323.795 3.878 20 30 DHEDMO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC[C@H](C)CC(C)(C)C ZINC001275879954 1027799078 /nfs/dbraw/zinc/79/90/78/1027799078.db2.gz JHFXLRAAMBCQPF-PXNSSMCTSA-N 1 1 318.505 3.539 20 30 DHEDMO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC[C@@H](C)CC(C)(C)C ZINC001275879956 1027799838 /nfs/dbraw/zinc/79/98/38/1027799838.db2.gz JHFXLRAAMBCQPF-YLJYHZDGSA-N 1 1 318.505 3.539 20 30 DHEDMO N#Cc1c(F)cccc1CN1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000600847675 1027862772 /nfs/dbraw/zinc/86/27/72/1027862772.db2.gz MKHXZLPRCSJISR-KRWDZBQOSA-N 1 1 321.399 3.682 20 30 DHEDMO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC1CCC(C#N)CC1 ZINC001170723891 1027882697 /nfs/dbraw/zinc/88/26/97/1027882697.db2.gz WWFUWIJAJNMGOA-GTPINHCMSA-N 1 1 315.436 3.666 20 30 DHEDMO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)Cc2ccccc2O1 ZINC001170732231 1027934520 /nfs/dbraw/zinc/93/45/20/1027934520.db2.gz JMHAGPGNZGXFML-HNNXBMFYSA-N 1 1 311.812 3.975 20 30 DHEDMO C[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)Cc2ccccc2O1 ZINC001170732231 1027934538 /nfs/dbraw/zinc/93/45/38/1027934538.db2.gz JMHAGPGNZGXFML-HNNXBMFYSA-N 1 1 311.812 3.975 20 30 DHEDMO CCc1nccn1[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000365443291 1027949156 /nfs/dbraw/zinc/94/91/56/1027949156.db2.gz NUXXWJJMZHARSR-INIZCTEOSA-N 1 1 302.466 3.802 20 30 DHEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1Cl ZINC000048331273 1027997061 /nfs/dbraw/zinc/99/70/61/1027997061.db2.gz WZNHGAHQFDRHSM-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000299096846 1028014741 /nfs/dbraw/zinc/01/47/41/1028014741.db2.gz USSIKWVBMLLWOQ-AWEZNQCLSA-N 1 1 323.396 3.720 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000299096846 1028014756 /nfs/dbraw/zinc/01/47/56/1028014756.db2.gz USSIKWVBMLLWOQ-AWEZNQCLSA-N 1 1 323.396 3.720 20 30 DHEDMO N#CC1(CC[N@@H+]2Cc3ncccc3N3CCC[C@H]3C2)CCCCC1 ZINC000934493604 1028019960 /nfs/dbraw/zinc/01/99/60/1028019960.db2.gz XATKPMTXCCOGGE-KRWDZBQOSA-N 1 1 324.472 3.730 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000299181817 1028027429 /nfs/dbraw/zinc/02/74/29/1028027429.db2.gz ZGCYTGAEVLFPTJ-CQSZACIVSA-N 1 1 324.384 3.516 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000299181817 1028027443 /nfs/dbraw/zinc/02/74/43/1028027443.db2.gz ZGCYTGAEVLFPTJ-CQSZACIVSA-N 1 1 324.384 3.516 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)cc1 ZINC000934765129 1028106057 /nfs/dbraw/zinc/10/60/57/1028106057.db2.gz CPICYFXNOPXASR-AEFFLSMTSA-N 1 1 300.471 3.673 20 30 DHEDMO N#CCSCCC[N@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000366982962 1028118675 /nfs/dbraw/zinc/11/86/75/1028118675.db2.gz PYDKFRGUTNRQJH-HNNXBMFYSA-N 1 1 312.841 3.857 20 30 DHEDMO N#CCSCCC[N@@H+]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000366982962 1028118685 /nfs/dbraw/zinc/11/86/85/1028118685.db2.gz PYDKFRGUTNRQJH-HNNXBMFYSA-N 1 1 312.841 3.857 20 30 DHEDMO C=C(C)c1cccc(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000934875217 1028134335 /nfs/dbraw/zinc/13/43/35/1028134335.db2.gz BMGKCCAUKQYIOS-HNNXBMFYSA-N 1 1 301.434 3.572 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N(CCC)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000934885156 1028142397 /nfs/dbraw/zinc/14/23/97/1028142397.db2.gz POWKAWICYVBJAU-QGZVFWFLSA-N 1 1 301.434 3.668 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814672161 1028148131 /nfs/dbraw/zinc/14/81/31/1028148131.db2.gz BPXQANDAPSOOKG-IRXDYDNUSA-N 1 1 322.493 3.922 20 30 DHEDMO CC1(C)[C@@H]2C[C@H]([N@H+]3CCC[C@H](Oc4ccccc4C#N)C3)C[C@@H]21 ZINC001170762211 1028189912 /nfs/dbraw/zinc/18/99/12/1028189912.db2.gz SBUFTXNYFUBCQY-FJIDUMEYSA-N 1 1 310.441 3.836 20 30 DHEDMO CC1(C)[C@@H]2C[C@H]([N@H+]3CCC[C@@H](Oc4ccc(C#N)cc4)C3)C[C@@H]21 ZINC001170767307 1028230755 /nfs/dbraw/zinc/23/07/55/1028230755.db2.gz RICJRNMVCICBHS-OQIJWPOYSA-N 1 1 310.441 3.836 20 30 DHEDMO CC(=NNc1cc(C)ccc1F)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814872703 1028255678 /nfs/dbraw/zinc/25/56/78/1028255678.db2.gz VLCTWUOAYKNPRE-UHFFFAOYSA-N 1 1 311.404 3.658 20 30 DHEDMO N#CCCC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC000578866727 1028258014 /nfs/dbraw/zinc/25/80/14/1028258014.db2.gz XROOTTQUKJZVLW-HXUWFJFHSA-N 1 1 311.473 3.886 20 30 DHEDMO C[C@@H]1C(=NO[C@@H]2CCCCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000814886967 1028263240 /nfs/dbraw/zinc/26/32/40/1028263240.db2.gz DETYAOMSZUPDIB-CRAIPNDOSA-N 1 1 302.418 3.570 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC[C@H](O)c1ccccc1 ZINC000368011279 1028276118 /nfs/dbraw/zinc/27/61/18/1028276118.db2.gz XCQFYJZSJWGAME-NJYVYQBISA-N 1 1 320.436 3.882 20 30 DHEDMO COc1ccc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)cc1C#N ZINC000564101528 1028307720 /nfs/dbraw/zinc/30/77/20/1028307720.db2.gz OJIODOPNYSPOSX-IBGZPJMESA-N 1 1 310.372 3.638 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)cc1C#N ZINC000564101528 1028307735 /nfs/dbraw/zinc/30/77/35/1028307735.db2.gz OJIODOPNYSPOSX-IBGZPJMESA-N 1 1 310.372 3.638 20 30 DHEDMO CCOc1ccc(N=NC(C)C[NH+]2Cc3ccccc3C2)cc1 ZINC000814985625 1028320515 /nfs/dbraw/zinc/32/05/15/1028320515.db2.gz MWHZVTKIPWQTMZ-UHFFFAOYSA-N 1 1 309.413 3.889 20 30 DHEDMO C=CCOCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000815059950 1028341521 /nfs/dbraw/zinc/34/15/21/1028341521.db2.gz FSGLSHVMUBMGOQ-HOTGVXAUSA-N 1 1 309.475 3.619 20 30 DHEDMO C[C@H]([NH2+][C@@H]1COc2cccc(F)c21)c1ccc(OCC#N)cc1 ZINC000368431046 1028353204 /nfs/dbraw/zinc/35/32/04/1028353204.db2.gz BJNBDMYOHDUORM-BLLLJJGKSA-N 1 1 312.344 3.512 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368487455 1028362327 /nfs/dbraw/zinc/36/23/27/1028362327.db2.gz UDPSWCGIYDTLFB-GOSISDBHSA-N 1 1 319.452 3.947 20 30 DHEDMO COc1ccc(C#N)cc1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000564232767 1028373403 /nfs/dbraw/zinc/37/34/03/1028373403.db2.gz MEOQFLMVQLHZJC-UHFFFAOYSA-N 1 1 312.335 3.731 20 30 DHEDMO C[C@H]([NH2+][C@H]1c2ccc(F)cc2O[C@H]1C)c1ccc(C#N)s1 ZINC000368582702 1028378780 /nfs/dbraw/zinc/37/87/80/1028378780.db2.gz GLIVFCWOBLNFGM-XQJJYNOISA-N 1 1 302.374 3.932 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368591380 1028382134 /nfs/dbraw/zinc/38/21/34/1028382134.db2.gz HELIPKFTZJYRKB-UTKZUKDTSA-N 1 1 320.436 3.993 20 30 DHEDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000368659941 1028393212 /nfs/dbraw/zinc/39/32/12/1028393212.db2.gz QCKCSAQHGOCKAS-IRXDYDNUSA-N 1 1 316.445 3.616 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000579409474 1028404738 /nfs/dbraw/zinc/40/47/38/1028404738.db2.gz SVGHIUKGLHJLNH-BEFAXECRSA-N 1 1 316.408 3.789 20 30 DHEDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000579409477 1028405172 /nfs/dbraw/zinc/40/51/72/1028405172.db2.gz SVGHIUKGLHJLNH-KXBFYZLASA-N 1 1 316.408 3.789 20 30 DHEDMO CCOC(=O)[C@@H](CCC(C)(C)C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449241779 1028488810 /nfs/dbraw/zinc/48/88/10/1028488810.db2.gz ULSNNKDQTRLJCM-SWKXRBFHSA-N 1 1 308.466 3.806 20 30 DHEDMO CC[C@@H](c1ccccc1O)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000369509530 1028497340 /nfs/dbraw/zinc/49/73/40/1028497340.db2.gz KVKPUGPUHIYHQG-AZUAARDMSA-N 1 1 322.408 3.788 20 30 DHEDMO C[N@H+]1CC[C@@H](CNc2cccc(F)c2C#N)[C@@H]1c1cccs1 ZINC000369560094 1028503402 /nfs/dbraw/zinc/50/34/02/1028503402.db2.gz DWRWUGMIAHJOHS-YVEFUNNKSA-N 1 1 315.417 3.864 20 30 DHEDMO C[C@@H](C#N)C[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000564808672 1028503464 /nfs/dbraw/zinc/50/34/64/1028503464.db2.gz GNZDRPBDZUMHOC-HNNXBMFYSA-N 1 1 308.429 3.914 20 30 DHEDMO C[C@H](C[N@@H+](Cc1ccc(C#N)s1)[C@@H](C)CO)c1ccccc1 ZINC000565075740 1028535765 /nfs/dbraw/zinc/53/57/65/1028535765.db2.gz GDSPXIURSFAMLB-CABCVRRESA-N 1 1 314.454 3.606 20 30 DHEDMO C[C@@H](C[N@@H+](Cc1ccc(C#N)s1)[C@@H](C)CO)c1ccccc1 ZINC000565075741 1028536761 /nfs/dbraw/zinc/53/67/61/1028536761.db2.gz GDSPXIURSFAMLB-GJZGRUSLSA-N 1 1 314.454 3.606 20 30 DHEDMO Cc1cc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)ccc1F ZINC000370532886 1028611449 /nfs/dbraw/zinc/61/14/49/1028611449.db2.gz GCPGEQJGTWLCJK-UHFFFAOYSA-N 1 1 309.388 3.587 20 30 DHEDMO C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)o1 ZINC000370532630 1028612905 /nfs/dbraw/zinc/61/29/05/1028612905.db2.gz CFCIGBHRHXENMH-DOTOQJQBSA-N 1 1 321.424 3.855 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000449458743 1028660602 /nfs/dbraw/zinc/66/06/02/1028660602.db2.gz WQLUJZWAHVPGDA-VAMGGRTRSA-N 1 1 315.457 3.767 20 30 DHEDMO Cc1cc(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)ccc1C#N ZINC000449459683 1028663553 /nfs/dbraw/zinc/66/35/53/1028663553.db2.gz YJXRCFYPQJWKOY-GOSISDBHSA-N 1 1 314.816 3.686 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2C2CC2)cc1OCCCC#N ZINC000371418944 1028710446 /nfs/dbraw/zinc/71/04/46/1028710446.db2.gz HXEFSXXAKQTLBQ-QGZVFWFLSA-N 1 1 314.429 3.752 20 30 DHEDMO CCO[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@@H]1C ZINC000449497783 1028710860 /nfs/dbraw/zinc/71/08/60/1028710860.db2.gz RQLPJSFGWDBSFN-LPHOPBHVSA-N 1 1 316.445 3.616 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H]2C2CCCCC2)c1=S ZINC000077446088 1028877642 /nfs/dbraw/zinc/87/76/42/1028877642.db2.gz HTVRBSKYALFIDZ-INIZCTEOSA-N 1 1 320.506 3.911 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H]2C2CCCCC2)c1=S ZINC000077446084 1028878995 /nfs/dbraw/zinc/87/89/95/1028878995.db2.gz HTVRBSKYALFIDZ-MRXNPFEDSA-N 1 1 320.506 3.911 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc(CC#N)cc1Cl)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000567469858 1028900046 /nfs/dbraw/zinc/90/00/46/1028900046.db2.gz QNDXPIFOPQYWSM-XQQFMLRXSA-N 1 1 319.836 3.606 20 30 DHEDMO C[C@@H](C(=O)Nc1ccc(CC#N)cc1Cl)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000567469858 1028900064 /nfs/dbraw/zinc/90/00/64/1028900064.db2.gz QNDXPIFOPQYWSM-XQQFMLRXSA-N 1 1 319.836 3.606 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H]2CCOC[C@H]2C)cc1 ZINC001170831257 1028931552 /nfs/dbraw/zinc/93/15/52/1028931552.db2.gz MASAUEVZUWRVIF-ATZDWAIDSA-N 1 1 300.446 3.846 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2cnc(C3CC3)o2)c(C(F)(F)F)c1 ZINC000449706402 1028931682 /nfs/dbraw/zinc/93/16/82/1028931682.db2.gz NARRGYADYQUFLR-UHFFFAOYSA-N 1 1 321.302 3.732 20 30 DHEDMO C=CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccncc1 ZINC000816551504 1028934144 /nfs/dbraw/zinc/93/41/44/1028934144.db2.gz DCOZDBVTCRHILX-HNNXBMFYSA-N 1 1 306.768 3.987 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000449735364 1028952602 /nfs/dbraw/zinc/95/26/02/1028952602.db2.gz QMLRIAPOIXOHLV-HNAYVOBHSA-N 1 1 323.415 3.622 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000449735364 1028952611 /nfs/dbraw/zinc/95/26/11/1028952611.db2.gz QMLRIAPOIXOHLV-HNAYVOBHSA-N 1 1 323.415 3.622 20 30 DHEDMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000373118085 1028957023 /nfs/dbraw/zinc/95/70/23/1028957023.db2.gz NENQUGZVYZHCOH-IAGOWNOFSA-N 1 1 319.493 3.572 20 30 DHEDMO Cc1c(C[N@@H+](C)CC(C)(C)C#N)sc2nc(C)nc(C)c12 ZINC000816631859 1028985422 /nfs/dbraw/zinc/98/54/22/1028985422.db2.gz IXDVMPNFAUWRKX-UHFFFAOYSA-N 1 1 302.447 3.598 20 30 DHEDMO Cc1c(C[N@H+](C)CC(C)(C)C#N)sc2nc(C)nc(C)c12 ZINC000816631859 1028985436 /nfs/dbraw/zinc/98/54/36/1028985436.db2.gz IXDVMPNFAUWRKX-UHFFFAOYSA-N 1 1 302.447 3.598 20 30 DHEDMO C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC000567989438 1028990713 /nfs/dbraw/zinc/99/07/13/1028990713.db2.gz GEJIOCWYDGXRHQ-CQSZACIVSA-N 1 1 309.369 3.702 20 30 DHEDMO C=CCC[C@H](NCC1([NH+](C)C)Cc2ccccc2C1)c1ccco1 ZINC000568023759 1028993583 /nfs/dbraw/zinc/99/35/83/1028993583.db2.gz VNHDKEKRYOIHIX-IBGZPJMESA-N 1 1 324.468 3.976 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H]1CCc2ccccc2NC1=O ZINC000411129698 1029041500 /nfs/dbraw/zinc/04/15/00/1029041500.db2.gz BUOQXAILXVEFJE-KRWDZBQOSA-N 1 1 312.438 3.690 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H]1CCc2ccccc2NC1=O ZINC000411129698 1029041508 /nfs/dbraw/zinc/04/15/08/1029041508.db2.gz BUOQXAILXVEFJE-KRWDZBQOSA-N 1 1 312.438 3.690 20 30 DHEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(F)c(C#N)c2Cl)CC1 ZINC000373465293 1029054435 /nfs/dbraw/zinc/05/44/35/1029054435.db2.gz KIUQZYSCASEUPS-INIZCTEOSA-N 1 1 310.800 3.742 20 30 DHEDMO N#CC1(CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC000411326001 1029102793 /nfs/dbraw/zinc/10/27/93/1029102793.db2.gz GYFHMXLHYSNTQS-UHFFFAOYSA-N 1 1 313.401 3.817 20 30 DHEDMO N#CC1(CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC000411326001 1029102802 /nfs/dbraw/zinc/10/28/02/1029102802.db2.gz GYFHMXLHYSNTQS-UHFFFAOYSA-N 1 1 313.401 3.817 20 30 DHEDMO C[N@H+]1CCN(CC#Cc2ccccc2Cl)CC12CCCCC2 ZINC000568644308 1029105276 /nfs/dbraw/zinc/10/52/76/1029105276.db2.gz FIQSUQVOHSNROC-UHFFFAOYSA-N 1 1 316.876 3.642 20 30 DHEDMO Cc1cc(Br)c2c(c1)C[N@@H+]([C@H](C)CCC#N)CC2 ZINC000411575192 1029162216 /nfs/dbraw/zinc/16/22/16/1029162216.db2.gz VRFDZICEYWKKHX-GFCCVEGCSA-N 1 1 307.235 3.808 20 30 DHEDMO CC[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCN1CC(F)F ZINC000411415719 1029122297 /nfs/dbraw/zinc/12/22/97/1029122297.db2.gz BZARUSVMDDJBGP-HNNXBMFYSA-N 1 1 313.436 3.512 20 30 DHEDMO Cc1cc(Br)cc2c1C[N@H+]([C@H](C)CCC#N)CC2 ZINC000411477221 1029136299 /nfs/dbraw/zinc/13/62/99/1029136299.db2.gz CRLZMDQNOMYHFI-GFCCVEGCSA-N 1 1 307.235 3.808 20 30 DHEDMO Cc1cc(Br)cc2c1C[N@@H+]([C@H](C)CCC#N)CC2 ZINC000411477221 1029136306 /nfs/dbraw/zinc/13/63/06/1029136306.db2.gz CRLZMDQNOMYHFI-GFCCVEGCSA-N 1 1 307.235 3.808 20 30 DHEDMO C=CCC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000628746654 1029138631 /nfs/dbraw/zinc/13/86/31/1029138631.db2.gz FHONWNRNPRDDOS-PKOBYXMFSA-N 1 1 314.473 3.585 20 30 DHEDMO C=C(C)[C@H]([NH2+]CC(=O)N1CCCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000411551947 1029156855 /nfs/dbraw/zinc/15/68/55/1029156855.db2.gz FXDXUXRCMKMZHP-ACJLOTCBSA-N 1 1 322.399 3.573 20 30 DHEDMO Cc1cc(Br)c2c(c1)C[N@H+]([C@H](C)CCC#N)CC2 ZINC000411575192 1029162207 /nfs/dbraw/zinc/16/22/07/1029162207.db2.gz VRFDZICEYWKKHX-GFCCVEGCSA-N 1 1 307.235 3.808 20 30 DHEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000411603449 1029166720 /nfs/dbraw/zinc/16/67/20/1029166720.db2.gz MJFDWEWCNLFEKP-YJBOKZPZSA-N 1 1 313.445 3.787 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000163310945 1029167832 /nfs/dbraw/zinc/16/78/32/1029167832.db2.gz QQPUYCQSDJKXCV-JKSUJKDBSA-N 1 1 322.880 3.810 20 30 DHEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@H]2CC[N@H+](CC)C2)cc1 ZINC000163310945 1029167844 /nfs/dbraw/zinc/16/78/44/1029167844.db2.gz QQPUYCQSDJKXCV-JKSUJKDBSA-N 1 1 322.880 3.810 20 30 DHEDMO CC[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1ccc(C#N)cc1 ZINC000373924480 1029170949 /nfs/dbraw/zinc/17/09/49/1029170949.db2.gz SDCRGEWKZFHOGC-WMLDXEAASA-N 1 1 323.444 3.678 20 30 DHEDMO C=CCC[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1ccco1 ZINC000569132164 1029180773 /nfs/dbraw/zinc/18/07/73/1029180773.db2.gz VOJYQHDFHIFSCC-HNNXBMFYSA-N 1 1 302.349 3.654 20 30 DHEDMO C[C@@H](C#N)C[N@H+](CCn1ccc2cc(Cl)ccc21)C1CC1 ZINC000569157302 1029185137 /nfs/dbraw/zinc/18/51/37/1029185137.db2.gz JBXHGHPMJZBNMQ-ZDUSSCGKSA-N 1 1 301.821 3.919 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](CCn1ccc2cc(Cl)ccc21)C1CC1 ZINC000569157302 1029185148 /nfs/dbraw/zinc/18/51/48/1029185148.db2.gz JBXHGHPMJZBNMQ-ZDUSSCGKSA-N 1 1 301.821 3.919 20 30 DHEDMO N#CC1(CC[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)CCCCC1 ZINC000411716288 1029187600 /nfs/dbraw/zinc/18/76/00/1029187600.db2.gz FUDCDEAJIMGDHV-HNNXBMFYSA-N 1 1 318.383 3.630 20 30 DHEDMO C[C@@H]1CN(CCC2(C#N)CCCCC2)CC[N@H+](C2CCC2)C1 ZINC000411757802 1029202241 /nfs/dbraw/zinc/20/22/41/1029202241.db2.gz MBILJNDKJJJHSJ-QGZVFWFLSA-N 1 1 303.494 3.657 20 30 DHEDMO N#CC1(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)CCCCC1 ZINC000411801956 1029212670 /nfs/dbraw/zinc/21/26/70/1029212670.db2.gz UVRZWSFFDWITLP-KSZLIROESA-N 1 1 304.478 3.866 20 30 DHEDMO Cc1cnc([C@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)s1 ZINC000374230986 1029246784 /nfs/dbraw/zinc/24/67/84/1029246784.db2.gz SYWSUOBLFOIRCT-AWEZNQCLSA-N 1 1 315.417 3.842 20 30 DHEDMO Cc1cnc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)s1 ZINC000374230986 1029246801 /nfs/dbraw/zinc/24/68/01/1029246801.db2.gz SYWSUOBLFOIRCT-AWEZNQCLSA-N 1 1 315.417 3.842 20 30 DHEDMO Cc1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c(C)c1 ZINC000569856330 1029275380 /nfs/dbraw/zinc/27/53/80/1029275380.db2.gz BKOMFANLTQOPIT-UHFFFAOYSA-N 1 1 308.425 3.824 20 30 DHEDMO N#Cc1ccccc1C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411989171 1029276282 /nfs/dbraw/zinc/27/62/82/1029276282.db2.gz PJKSQHHTZCWWJU-HXUWFJFHSA-N 1 1 318.420 3.912 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411989171 1029276297 /nfs/dbraw/zinc/27/62/97/1029276297.db2.gz PJKSQHHTZCWWJU-HXUWFJFHSA-N 1 1 318.420 3.912 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](CCCCCn3cccn3)CC2)cc1 ZINC000374311391 1029287262 /nfs/dbraw/zinc/28/72/62/1029287262.db2.gz SCHICOLZIABODA-UHFFFAOYSA-N 1 1 320.440 3.714 20 30 DHEDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000412086176 1029317457 /nfs/dbraw/zinc/31/74/57/1029317457.db2.gz ZYQAASXGOHDQMO-HNNXBMFYSA-N 1 1 308.466 3.760 20 30 DHEDMO CC(C)O[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000570329426 1029353588 /nfs/dbraw/zinc/35/35/88/1029353588.db2.gz OPKBIYXJUNRLOO-MRXNPFEDSA-N 1 1 311.347 3.556 20 30 DHEDMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000818347169 1029379076 /nfs/dbraw/zinc/37/90/76/1029379076.db2.gz NFMXCYANTICFQP-SUNKGSAMSA-N 1 1 315.335 3.653 20 30 DHEDMO CCc1cc(CCC[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)on1 ZINC000450451135 1029486609 /nfs/dbraw/zinc/48/66/09/1029486609.db2.gz ISWXWVJMJFHRFW-VQTJNVASSA-N 1 1 323.440 3.941 20 30 DHEDMO CCc1cc(CCC[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)on1 ZINC000450451135 1029486618 /nfs/dbraw/zinc/48/66/18/1029486618.db2.gz ISWXWVJMJFHRFW-VQTJNVASSA-N 1 1 323.440 3.941 20 30 DHEDMO C=C[C@H](CC)CC(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC001136201190 1029515534 /nfs/dbraw/zinc/51/55/34/1029515534.db2.gz ZMAYVGFCXIJETI-APWZRJJASA-N 1 1 314.473 3.542 20 30 DHEDMO C=CCC1(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCCC1 ZINC001136255075 1029600587 /nfs/dbraw/zinc/60/05/87/1029600587.db2.gz JKRWXLIQIXUGLU-HDICACEKSA-N 1 1 320.521 3.997 20 30 DHEDMO N#CC1(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000450843068 1029699714 /nfs/dbraw/zinc/69/97/14/1029699714.db2.gz HNILVIQYBSRNDT-CABCVRRESA-N 1 1 308.784 3.593 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303549424 1029781380 /nfs/dbraw/zinc/78/13/80/1029781380.db2.gz JJYMKECMEKARBD-HKUYNNGSSA-N 1 1 304.478 3.622 20 30 DHEDMO N#CC1(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCC1 ZINC000451067092 1029786114 /nfs/dbraw/zinc/78/61/14/1029786114.db2.gz VUFSGYPQKJXZBG-UHFFFAOYSA-N 1 1 323.484 3.668 20 30 DHEDMO C[NH+](C)Cc1cccc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)c1 ZINC000821018106 1029798508 /nfs/dbraw/zinc/79/85/08/1029798508.db2.gz WHJIKDNWQVEDBG-VOTSOKGWSA-N 1 1 317.335 3.628 20 30 DHEDMO C[NH+](C)Cc1cccc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)c1 ZINC000821018104 1029798869 /nfs/dbraw/zinc/79/88/69/1029798869.db2.gz WHJIKDNWQVEDBG-SREVYHEPSA-N 1 1 317.335 3.628 20 30 DHEDMO COC(=O)[C@@H](CC(C)C)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000451259906 1029828553 /nfs/dbraw/zinc/82/85/53/1029828553.db2.gz CTOIHZINEZHTDA-QGZVFWFLSA-N 1 1 316.445 3.507 20 30 DHEDMO COC(=O)[C@@H](CC(C)C)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000451259906 1029828560 /nfs/dbraw/zinc/82/85/60/1029828560.db2.gz CTOIHZINEZHTDA-QGZVFWFLSA-N 1 1 316.445 3.507 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000451409082 1029864340 /nfs/dbraw/zinc/86/43/40/1029864340.db2.gz PNYNLFSONAMGKR-RISCZKNCSA-N 1 1 312.335 3.730 20 30 DHEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000451405316 1029868733 /nfs/dbraw/zinc/86/87/33/1029868733.db2.gz CRKXHBIWPJHGDY-JSGCOSHPSA-N 1 1 312.335 3.600 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000451413471 1029871040 /nfs/dbraw/zinc/87/10/40/1029871040.db2.gz YPDFDAQGQLJABG-FZMZJTMJSA-N 1 1 312.335 3.730 20 30 DHEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(C)cs1 ZINC001275527586 1029927781 /nfs/dbraw/zinc/92/77/81/1029927781.db2.gz CTXNRDOTRZRAOX-SFHVURJKSA-N 1 1 318.486 3.590 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451646014 1029951593 /nfs/dbraw/zinc/95/15/93/1029951593.db2.gz CVEBNIWKNZDKEO-QGZVFWFLSA-N 1 1 300.471 3.815 20 30 DHEDMO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000451882408 1030042742 /nfs/dbraw/zinc/04/27/42/1030042742.db2.gz RIYKHFMQGWRFCQ-CQSZACIVSA-N 1 1 319.415 3.522 20 30 DHEDMO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000451882407 1030043551 /nfs/dbraw/zinc/04/35/51/1030043551.db2.gz RIYKHFMQGWRFCQ-AWEZNQCLSA-N 1 1 319.415 3.522 20 30 DHEDMO CC[N@@H+](Cc1ccccc1C#N)[C@@H](COC)Cc1ccccc1 ZINC000530866633 1030048781 /nfs/dbraw/zinc/04/87/81/1030048781.db2.gz WTRGIDDDCGVZRR-HXUWFJFHSA-N 1 1 308.425 3.638 20 30 DHEDMO Cc1ccc(C[N@@H+](C)CCCC2(C#N)CCOCC2)cc1C ZINC000452051513 1030109317 /nfs/dbraw/zinc/10/93/17/1030109317.db2.gz ZFVYBOIOLRZVHM-UHFFFAOYSA-N 1 1 300.446 3.836 20 30 DHEDMO CC[C@H](C)Oc1ccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)cc1 ZINC000822812668 1030132495 /nfs/dbraw/zinc/13/24/95/1030132495.db2.gz JVFCTWKAZZTAOX-WFASDCNBSA-N 1 1 314.389 3.608 20 30 DHEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245915106 1030195356 /nfs/dbraw/zinc/19/53/56/1030195356.db2.gz RTHZZKLCZDCPGU-DOTOQJQBSA-N 1 1 306.837 3.558 20 30 DHEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245915106 1030195365 /nfs/dbraw/zinc/19/53/65/1030195365.db2.gz RTHZZKLCZDCPGU-DOTOQJQBSA-N 1 1 306.837 3.558 20 30 DHEDMO C=C(C)C[N@@H+](CC[C@H]1CC1(Cl)Cl)Cc1ccc(CO)o1 ZINC000823116255 1030213225 /nfs/dbraw/zinc/21/32/25/1030213225.db2.gz SPMOOOLRIHMSHK-LBPRGKRZSA-N 1 1 318.244 3.734 20 30 DHEDMO C[C@@H]([N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N)C(C)(C)C ZINC000533249026 1030221619 /nfs/dbraw/zinc/22/16/19/1030221619.db2.gz GLIYPIAQRKPGGR-LLVKDONJSA-N 1 1 307.825 3.517 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000533299943 1030261807 /nfs/dbraw/zinc/26/18/07/1030261807.db2.gz SNNWXVUAOKIROT-ZIAGYGMSSA-N 1 1 308.853 3.804 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000823382370 1030274699 /nfs/dbraw/zinc/27/46/99/1030274699.db2.gz IIWIQRIWZVXEPK-UHFFFAOYSA-N 1 1 314.408 3.598 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000823382370 1030274714 /nfs/dbraw/zinc/27/47/14/1030274714.db2.gz IIWIQRIWZVXEPK-UHFFFAOYSA-N 1 1 314.408 3.598 20 30 DHEDMO C=CCC[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@@H]21 ZINC000533368224 1030309514 /nfs/dbraw/zinc/30/95/14/1030309514.db2.gz WIUPPAIGWSZEJM-DZVNLGKHSA-N 1 1 306.494 3.746 20 30 DHEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@](C)(O)c1ccccc1 ZINC000823606426 1030339567 /nfs/dbraw/zinc/33/95/67/1030339567.db2.gz SSFSEHZAUIRKJC-NRFANRHFSA-N 1 1 322.452 3.827 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000823616624 1030341447 /nfs/dbraw/zinc/34/14/47/1030341447.db2.gz BGWVABXITQNGOI-KZULUSFZSA-N 1 1 316.351 3.563 20 30 DHEDMO CC(=O)Oc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000823619053 1030342061 /nfs/dbraw/zinc/34/20/61/1030342061.db2.gz WWNDLINJSFVOAF-CQSZACIVSA-N 1 1 308.381 3.677 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000533437244 1030354983 /nfs/dbraw/zinc/35/49/83/1030354983.db2.gz UCQAQYSGJIVHJQ-GFCCVEGCSA-N 1 1 314.351 3.930 20 30 DHEDMO CC[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1ccc(F)cc1O ZINC000866618062 1030407720 /nfs/dbraw/zinc/40/77/20/1030407720.db2.gz VDCKMFOLBRFSLA-AEFFLSMTSA-N 1 1 310.372 3.611 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455384068 1030447525 /nfs/dbraw/zinc/44/75/25/1030447525.db2.gz NLLIHVWEPNJIMN-ALOPSCKCSA-N 1 1 313.445 3.552 20 30 DHEDMO CCOc1cccc2cc([C@H](C)[NH2+]Cc3ccc(C#N)cn3)oc21 ZINC000558246353 1030496533 /nfs/dbraw/zinc/49/65/33/1030496533.db2.gz ONRWOMUIHZZDDS-ZDUSSCGKSA-N 1 1 321.380 3.949 20 30 DHEDMO CC(N=Nc1ncccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794989699 1030532734 /nfs/dbraw/zinc/53/27/34/1030532734.db2.gz AVZYWIITEPVIQN-MRXNPFEDSA-N 1 1 312.392 3.531 20 30 DHEDMO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000358562506 1030538065 /nfs/dbraw/zinc/53/80/65/1030538065.db2.gz GXSOZIMIEZZAJY-MAUKXSAKSA-N 1 1 323.415 3.622 20 30 DHEDMO C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1F ZINC000358562506 1030538073 /nfs/dbraw/zinc/53/80/73/1030538073.db2.gz GXSOZIMIEZZAJY-MAUKXSAKSA-N 1 1 323.415 3.622 20 30 DHEDMO COc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c(OC)c1 ZINC000358576268 1030541821 /nfs/dbraw/zinc/54/18/21/1030541821.db2.gz TXCCWZMWFVBJTA-GFCCVEGCSA-N 1 1 314.360 3.565 20 30 DHEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C)s1 ZINC001275614324 1030603566 /nfs/dbraw/zinc/60/35/66/1030603566.db2.gz GVXOGTTULISXPE-SFHVURJKSA-N 1 1 318.486 3.590 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)cc1 ZINC000824702562 1030606556 /nfs/dbraw/zinc/60/65/56/1030606556.db2.gz NRAOZHUNPVSIIB-TUKTXDRWSA-N 1 1 308.425 3.621 20 30 DHEDMO C#CCOc1ccc(C[NH2+][C@@H](C)c2nc(C)sc2C)cc1 ZINC000824926917 1030673081 /nfs/dbraw/zinc/67/30/81/1030673081.db2.gz XFZPKADLCKZUJA-LBPRGKRZSA-N 1 1 300.427 3.623 20 30 DHEDMO C[N@H+](CCCOc1ccccc1)Cc1cn2ccccc2c1C#N ZINC000359002908 1030723762 /nfs/dbraw/zinc/72/37/62/1030723762.db2.gz AJHHDGXBEUOLKG-UHFFFAOYSA-N 1 1 319.408 3.712 20 30 DHEDMO C[N@@H+](CCCOc1ccccc1)Cc1cn2ccccc2c1C#N ZINC000359002908 1030723775 /nfs/dbraw/zinc/72/37/75/1030723775.db2.gz AJHHDGXBEUOLKG-UHFFFAOYSA-N 1 1 319.408 3.712 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC(C)(C)C1 ZINC001171087257 1030798497 /nfs/dbraw/zinc/79/84/97/1030798497.db2.gz OLDZZQRIJMLBJT-UHFFFAOYSA-N 1 1 319.836 3.661 20 30 DHEDMO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1CC(C)(C)CCC#N ZINC000611268189 1030800698 /nfs/dbraw/zinc/80/06/98/1030800698.db2.gz QCEZAQBSCUEVKI-GOSISDBHSA-N 1 1 313.489 3.913 20 30 DHEDMO CC[C@@H]([NH2+]Cc1nccc2c1CCCC2)c1cccc(C#N)c1O ZINC000926883225 1030966173 /nfs/dbraw/zinc/96/61/73/1030966173.db2.gz MDZIWNCLHNBJBW-GOSISDBHSA-N 1 1 321.424 3.779 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000359467818 1030978782 /nfs/dbraw/zinc/97/87/82/1030978782.db2.gz RNNAYXDAQHAICT-LZWOXQAQSA-N 1 1 301.409 3.539 20 30 DHEDMO Cc1ccc(C[NH2+][C@H]2COCc3cccc(Cl)c32)cc1C#N ZINC000926966462 1031019755 /nfs/dbraw/zinc/01/97/55/1031019755.db2.gz WTXCBAPTFTXMFP-KRWDZBQOSA-N 1 1 312.800 3.881 20 30 DHEDMO Cc1cc(Cl)ccc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844371859 1031073324 /nfs/dbraw/zinc/07/33/24/1031073324.db2.gz RFFJYRKHKOTIDJ-SFHVURJKSA-N 1 1 314.816 3.686 20 30 DHEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370494 1031074713 /nfs/dbraw/zinc/07/47/13/1031074713.db2.gz HLQKFVDUJPPEKL-BTYIYWSLSA-N 1 1 320.436 3.773 20 30 DHEDMO C[N@@H+](CCSC1CCCCC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844370857 1031074742 /nfs/dbraw/zinc/07/47/42/1031074742.db2.gz KHXPJHKHZWPMGI-SFHVURJKSA-N 1 1 318.486 3.589 20 30 DHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)[C@@H]1CC[C@@H](C#N)C1 ZINC000559070344 1031084540 /nfs/dbraw/zinc/08/45/40/1031084540.db2.gz ZTBGHCTZDVAQHX-CRAIPNDOSA-N 1 1 308.429 3.633 20 30 DHEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000777617177 1031129472 /nfs/dbraw/zinc/12/94/72/1031129472.db2.gz IPRINLILXRAQHL-FQEVSTJZSA-N 1 1 323.415 3.539 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1C ZINC000844440881 1031142204 /nfs/dbraw/zinc/14/22/04/1031142204.db2.gz WDKYQUXOKZWSCG-KRWDZBQOSA-N 1 1 322.399 3.595 20 30 DHEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1C ZINC000844440881 1031142211 /nfs/dbraw/zinc/14/22/11/1031142211.db2.gz WDKYQUXOKZWSCG-KRWDZBQOSA-N 1 1 322.399 3.595 20 30 DHEDMO COc1ccc(Cl)c2c1CCC[C@@H]2[N@@H+](C)CCO[C@H](C)C#N ZINC000844443044 1031144965 /nfs/dbraw/zinc/14/49/65/1031144965.db2.gz HVRLPLUCUVZHNL-DOMZBBRYSA-N 1 1 322.836 3.586 20 30 DHEDMO C=CC(C)(C)CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000888579609 1031230282 /nfs/dbraw/zinc/23/02/82/1031230282.db2.gz BFXKALXQSSPELX-UHFFFAOYSA-N 1 1 318.486 3.776 20 30 DHEDMO Cc1c(O)cccc1C[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001144116802 1031255197 /nfs/dbraw/zinc/25/51/97/1031255197.db2.gz CJFNFTCANVLPNU-IBGZPJMESA-N 1 1 322.408 3.616 20 30 DHEDMO C=CC[N@@H+](CCCCCn1cc(C)cn1)CCc1ccco1 ZINC000272277485 1031267761 /nfs/dbraw/zinc/26/77/61/1031267761.db2.gz MGQVFQCOAZXSFA-UHFFFAOYSA-N 1 1 301.434 3.686 20 30 DHEDMO Cc1nc2sccn2c1C=NOCc1c(C)cc(C)[nH+]c1C ZINC000871733328 1031294504 /nfs/dbraw/zinc/29/45/04/1031294504.db2.gz GVRTXTRGYNYYEM-UHFFFAOYSA-N 1 1 314.414 3.575 20 30 DHEDMO CC1(C)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]2CCC[C@H]21 ZINC000293048313 1031304443 /nfs/dbraw/zinc/30/44/43/1031304443.db2.gz MPABYXSVFPKKKA-CVEARBPZSA-N 1 1 322.412 3.619 20 30 DHEDMO C#CCOc1ccc([C@H](C)Nc2ccc3c(c2)[nH+]cn3C)cc1 ZINC000777692226 1031317226 /nfs/dbraw/zinc/31/72/26/1031317226.db2.gz BOZRMYFJUWIBIY-AWEZNQCLSA-N 1 1 305.381 3.758 20 30 DHEDMO COc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)ccc1Br ZINC001144232132 1031366498 /nfs/dbraw/zinc/36/64/98/1031366498.db2.gz JGVOKBXENDHZEK-LBPRGKRZSA-N 1 1 323.234 3.583 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@H](C#N)CC2)ccc1Br ZINC001144232132 1031366515 /nfs/dbraw/zinc/36/65/15/1031366515.db2.gz JGVOKBXENDHZEK-LBPRGKRZSA-N 1 1 323.234 3.583 20 30 DHEDMO C=CCc1cc(C[N@H+]2CC[C@@H]2Cc2ccccc2)cc(OC)c1O ZINC000536663921 1031374448 /nfs/dbraw/zinc/37/44/48/1031374448.db2.gz WTLATJRWZIDVJD-LJQANCHMSA-N 1 1 323.436 3.946 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCS[C@H](C)[C@H]2C)ccc1OC ZINC000536670564 1031380894 /nfs/dbraw/zinc/38/08/94/1031380894.db2.gz UESVQXYOCVPNHV-HUUCEWRRSA-N 1 1 321.486 3.976 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)ccc1OC ZINC000536682418 1031381467 /nfs/dbraw/zinc/38/14/67/1031381467.db2.gz NFSCGPCEDGUKSI-IYBDPMFKSA-N 1 1 301.430 3.738 20 30 DHEDMO C=CCCC[N@H+](C)Cc1cc(Br)c(OC)s1 ZINC000536680451 1031388631 /nfs/dbraw/zinc/38/86/31/1031388631.db2.gz QHZYVNJAEOGSBY-UHFFFAOYSA-N 1 1 304.253 3.917 20 30 DHEDMO CCc1ccc(C[N@@H+](CCOC)Cc2ccc(C#N)cc2)s1 ZINC000536682957 1031395369 /nfs/dbraw/zinc/39/53/69/1031395369.db2.gz CPGVRABNFXYLJE-UHFFFAOYSA-N 1 1 314.454 3.831 20 30 DHEDMO COc1cc(C[N@@H+](C)CCCCC2(C#N)CCC2)cc(OC)c1 ZINC000929341597 1031497470 /nfs/dbraw/zinc/49/74/70/1031497470.db2.gz RWDSGGPSGVTTGY-UHFFFAOYSA-N 1 1 316.445 4.000 20 30 DHEDMO Cc1cc(C[C@@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)n[nH]1 ZINC000360658486 1031509252 /nfs/dbraw/zinc/50/92/52/1031509252.db2.gz TUHNRCUGCXWZBD-YJYMSZOUSA-N 1 1 308.429 3.578 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000360690319 1031521263 /nfs/dbraw/zinc/52/12/63/1031521263.db2.gz NDJAXCUFJCUBMK-HXUWFJFHSA-N 1 1 322.383 3.719 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000360690319 1031521275 /nfs/dbraw/zinc/52/12/75/1031521275.db2.gz NDJAXCUFJCUBMK-HXUWFJFHSA-N 1 1 322.383 3.719 20 30 DHEDMO COCC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CCCSC1 ZINC000433198299 1031539827 /nfs/dbraw/zinc/53/98/27/1031539827.db2.gz FITRFBWSCCWGFN-QGZVFWFLSA-N 1 1 323.889 3.536 20 30 DHEDMO Cc1cc2nc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)ccc2[nH]1 ZINC001171177095 1031546129 /nfs/dbraw/zinc/54/61/29/1031546129.db2.gz DJEYWRZZNRCEAK-UHFFFAOYSA-N 1 1 316.364 3.767 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C2(c3cc(C)cc(C)c3)CC2)no1 ZINC000872183173 1031552086 /nfs/dbraw/zinc/55/20/86/1031552086.db2.gz BQWNVWNKMSDDQK-CQSZACIVSA-N 1 1 317.820 3.909 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C(C)(C)c2ccccc2OC)no1 ZINC000872179749 1031554421 /nfs/dbraw/zinc/55/44/21/1031554421.db2.gz FRWCMZKXGNIBOW-LBPRGKRZSA-N 1 1 321.808 3.547 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433232597 1031562019 /nfs/dbraw/zinc/56/20/19/1031562019.db2.gz CJUMETPLAYYHNL-ZDUSSCGKSA-N 1 1 324.827 3.500 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433232597 1031562030 /nfs/dbraw/zinc/56/20/30/1031562030.db2.gz CJUMETPLAYYHNL-ZDUSSCGKSA-N 1 1 324.827 3.500 20 30 DHEDMO COc1ccc([C@H](CO)[N@@H+](C)CCCCC2(C#N)CCC2)cc1 ZINC000929639557 1031563618 /nfs/dbraw/zinc/56/36/18/1031563618.db2.gz RSNJWTUAQCYSRV-SFHVURJKSA-N 1 1 316.445 3.525 20 30 DHEDMO C[C@H]1SCC[N@H+](Cc2cncc(C#N)c2)[C@@H]1c1ccccc1 ZINC000929674445 1031573914 /nfs/dbraw/zinc/57/39/14/1031573914.db2.gz KHSQTTIJAKGDMJ-KDOFPFPSSA-N 1 1 309.438 3.632 20 30 DHEDMO C[C@H]1SCC[N@@H+](Cc2cncc(C#N)c2)[C@@H]1c1ccccc1 ZINC000929674445 1031573937 /nfs/dbraw/zinc/57/39/37/1031573937.db2.gz KHSQTTIJAKGDMJ-KDOFPFPSSA-N 1 1 309.438 3.632 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872281639 1031576518 /nfs/dbraw/zinc/57/65/18/1031576518.db2.gz VLOCVSNORFDKFQ-GOSISDBHSA-N 1 1 302.393 3.621 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872281639 1031576526 /nfs/dbraw/zinc/57/65/26/1031576526.db2.gz VLOCVSNORFDKFQ-GOSISDBHSA-N 1 1 302.393 3.621 20 30 DHEDMO C[C@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1ccc(C#N)c(F)c1 ZINC000537406791 1031594541 /nfs/dbraw/zinc/59/45/41/1031594541.db2.gz IYJXWLCMNMIJES-IFXJQAMLSA-N 1 1 317.452 3.858 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCc1cccnc1 ZINC000929756548 1031599707 /nfs/dbraw/zinc/59/97/07/1031599707.db2.gz HLFAWSKJSJFYAB-PMACEKPBSA-N 1 1 305.425 3.786 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCSc1ccncc1 ZINC000929756956 1031601035 /nfs/dbraw/zinc/60/10/35/1031601035.db2.gz LXCRMQIJSHBPRZ-MOPGFXCFSA-N 1 1 323.465 3.945 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCSc1ccncc1 ZINC000929756956 1031601039 /nfs/dbraw/zinc/60/10/39/1031601039.db2.gz LXCRMQIJSHBPRZ-MOPGFXCFSA-N 1 1 323.465 3.945 20 30 DHEDMO C[N@@H+](CCCCC1(C#N)CCC1)Cc1ccc([S@](C)=O)cc1 ZINC000929799399 1031611362 /nfs/dbraw/zinc/61/13/62/1031611362.db2.gz MBUYFMFROXKGIW-QFIPXVFZSA-N 1 1 318.486 3.720 20 30 DHEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929837446 1031619388 /nfs/dbraw/zinc/61/93/88/1031619388.db2.gz WIMRTBBGGGEWTA-JCYILVPMSA-N 1 1 320.477 3.760 20 30 DHEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cnc(OC)c(F)c1 ZINC001144461736 1031619479 /nfs/dbraw/zinc/61/94/79/1031619479.db2.gz CNGZEPCTNKFBCQ-UHFFFAOYSA-N 1 1 300.377 3.808 20 30 DHEDMO C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCC[C@H]1C#N ZINC000872680189 1031643673 /nfs/dbraw/zinc/64/36/73/1031643673.db2.gz CWFYOFSXTPAVEY-WFASDCNBSA-N 1 1 302.418 3.519 20 30 DHEDMO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCC[C@H]1C#N ZINC000872680189 1031643682 /nfs/dbraw/zinc/64/36/82/1031643682.db2.gz CWFYOFSXTPAVEY-WFASDCNBSA-N 1 1 302.418 3.519 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)CC1 ZINC000929929253 1031650707 /nfs/dbraw/zinc/65/07/07/1031650707.db2.gz GYOAUWVPWONJSH-OTGCGEFBSA-N 1 1 312.457 3.904 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)Cc1nc2ccccc2o1 ZINC000930032578 1031681826 /nfs/dbraw/zinc/68/18/26/1031681826.db2.gz SFDADSVMAYPWET-UHFFFAOYSA-N 1 1 305.381 3.948 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1nc2ccccc2o1 ZINC000930032578 1031681831 /nfs/dbraw/zinc/68/18/31/1031681831.db2.gz SFDADSVMAYPWET-UHFFFAOYSA-N 1 1 305.381 3.948 20 30 DHEDMO CC(=O)c1ccc2c(c1)CC[N@H+](CC1CCC(C#N)CC1)CC2 ZINC000930099862 1031698172 /nfs/dbraw/zinc/69/81/72/1031698172.db2.gz HSRYNWNUDGRBAQ-UHFFFAOYSA-N 1 1 310.441 3.620 20 30 DHEDMO C#Cc1ccc(C[N@@H+](C)CCc2cccc(C(F)(F)F)n2)cc1 ZINC001144567612 1031722008 /nfs/dbraw/zinc/72/20/08/1031722008.db2.gz UUEMPLGURGSBOK-UHFFFAOYSA-N 1 1 318.342 3.756 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC001144576189 1031725458 /nfs/dbraw/zinc/72/54/58/1031725458.db2.gz DYBBJASYOULVFZ-UHFFFAOYSA-N 1 1 322.427 3.515 20 30 DHEDMO C#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC001144576189 1031725467 /nfs/dbraw/zinc/72/54/67/1031725467.db2.gz DYBBJASYOULVFZ-UHFFFAOYSA-N 1 1 322.427 3.515 20 30 DHEDMO C#Cc1ccc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC001144576189 1031725476 /nfs/dbraw/zinc/72/54/76/1031725476.db2.gz DYBBJASYOULVFZ-UHFFFAOYSA-N 1 1 322.427 3.515 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)cc1 ZINC001144576415 1031725697 /nfs/dbraw/zinc/72/56/97/1031725697.db2.gz KKBMNPLNBXMKPF-FQEVSTJZSA-N 1 1 309.384 3.555 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCO[C@](C)(c3ccc(F)cc3)C2)cc1 ZINC001144576415 1031725707 /nfs/dbraw/zinc/72/57/07/1031725707.db2.gz KKBMNPLNBXMKPF-FQEVSTJZSA-N 1 1 309.384 3.555 20 30 DHEDMO Cn1nccc1[C@@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930308003 1031776217 /nfs/dbraw/zinc/77/62/17/1031776217.db2.gz TZSAQNQWCSNAPD-KRWDZBQOSA-N 1 1 300.450 3.811 20 30 DHEDMO C[C@@H]1C[C@H](CCNc2cc(C#N)ccn2)C[N@H+]1Cc1ccccc1 ZINC000561282486 1031799630 /nfs/dbraw/zinc/79/96/30/1031799630.db2.gz TYRQKFAZAKYZRY-APWZRJJASA-N 1 1 320.440 3.666 20 30 DHEDMO C[N@H+](Cc1ccccc1C1CC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846009058 1031806725 /nfs/dbraw/zinc/80/67/25/1031806725.db2.gz ZYOHYRTXGAFNBN-HXUWFJFHSA-N 1 1 306.409 3.601 20 30 DHEDMO Cc1[nH+]cn(-c2ccc(NCc3cccc(C#N)c3)cc2)c1C ZINC000361251818 1031816746 /nfs/dbraw/zinc/81/67/46/1031816746.db2.gz OXIOCLKFCAMNHT-UHFFFAOYSA-N 1 1 302.381 3.973 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cncc(C(F)(F)F)c1 ZINC000361293844 1031839119 /nfs/dbraw/zinc/83/91/19/1031839119.db2.gz AUODJOIRJGEFLM-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cncc(C(F)(F)F)c1 ZINC000361293844 1031839135 /nfs/dbraw/zinc/83/91/35/1031839135.db2.gz AUODJOIRJGEFLM-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H]1CCOC(C)(C)C1 ZINC000930511564 1031852058 /nfs/dbraw/zinc/85/20/58/1031852058.db2.gz FMYINEKPFFGTDY-MRXNPFEDSA-N 1 1 306.837 3.991 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000930612632 1031890660 /nfs/dbraw/zinc/89/06/60/1031890660.db2.gz UNWPTOANVWKZBD-DFQSSKMNSA-N 1 1 312.457 3.691 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)CCC1 ZINC000930613202 1031890833 /nfs/dbraw/zinc/89/08/33/1031890833.db2.gz YAYRGIQRFKMZLS-KZNAEPCWSA-N 1 1 304.478 3.866 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCOC[C@H]2c2ccc(F)cc2)CC1 ZINC000930649521 1031904731 /nfs/dbraw/zinc/90/47/31/1031904731.db2.gz GRPSCXYUQUUERU-JMLCCBQJSA-N 1 1 302.393 3.529 20 30 DHEDMO N#CC1CCC(C[N@@H+]2CCOC[C@H]2c2ccc(F)cc2)CC1 ZINC000930649521 1031904740 /nfs/dbraw/zinc/90/47/40/1031904740.db2.gz GRPSCXYUQUUERU-JMLCCBQJSA-N 1 1 302.393 3.529 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)CCC(=O)c1ccccc1 ZINC001171223006 1031963190 /nfs/dbraw/zinc/96/31/90/1031963190.db2.gz LEUGREQKCFYGKH-MRXNPFEDSA-N 1 1 306.409 3.694 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@H]2Cc2ccccc2Cl)cc1C#N ZINC000361547704 1031980797 /nfs/dbraw/zinc/98/07/97/1031980797.db2.gz GPHGQEBJHVNOIK-INIZCTEOSA-N 1 1 313.832 3.757 20 30 DHEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C)Cc1cccc(C#N)c1 ZINC001171230319 1032004073 /nfs/dbraw/zinc/00/40/73/1032004073.db2.gz CNSZUNAQEPULMG-OAHLLOKOSA-N 1 1 322.408 3.740 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCOC(C3CC3)(C3CC3)C2)CCC1 ZINC000931056704 1032021470 /nfs/dbraw/zinc/02/14/70/1032021470.db2.gz GFGCJSGKSXNUDI-UHFFFAOYSA-N 1 1 302.462 3.742 20 30 DHEDMO Oc1ccc2ccccc2c1/C=N/[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000846756695 1032049951 /nfs/dbraw/zinc/04/99/51/1032049951.db2.gz KQYCXUZLJSCDAZ-FGCHFJFUSA-N 1 1 308.425 3.981 20 30 DHEDMO CC(C)[N@@H+](C)CC1CCN(c2ccc3cc(C#N)ccc3n2)CC1 ZINC000539186238 1033295234 /nfs/dbraw/zinc/29/52/34/1033295234.db2.gz VEIRFCTVVYHQRU-UHFFFAOYSA-N 1 1 322.456 3.663 20 30 DHEDMO C[C@@H]1CCC[C@H]([N@@H+](CCC#N)Cc2ccc3c(c2)OCO3)[C@H]1C ZINC000338264791 1033309291 /nfs/dbraw/zinc/30/92/91/1033309291.db2.gz HBVUNNJCQUTQTR-VYDXJSESSA-N 1 1 314.429 3.956 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000877488969 1033318563 /nfs/dbraw/zinc/31/85/63/1033318563.db2.gz JTMZCLPRGGJVHC-SJLPKXTDSA-N 1 1 314.429 3.524 20 30 DHEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@H]1Cc3ccc(Cl)cc3C1)CC2 ZINC001172712902 1033349216 /nfs/dbraw/zinc/34/92/16/1033349216.db2.gz BVIVUWQUTLESHU-IBGZPJMESA-N 1 1 308.812 3.737 20 30 DHEDMO C#CCCCCCC[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000877577695 1033366496 /nfs/dbraw/zinc/36/64/96/1033366496.db2.gz ZLMNEYQZERQCHD-UHFFFAOYSA-N 1 1 318.427 3.919 20 30 DHEDMO C=CC[C@@](C)([NH2+]C1CCC(Cc2ccccc2)CC1)C(=O)OC ZINC001172822273 1033383916 /nfs/dbraw/zinc/38/39/16/1033383916.db2.gz NNZXOSTUZJGTOA-AFMYVXGZSA-N 1 1 315.457 3.885 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000877705027 1033418356 /nfs/dbraw/zinc/41/83/56/1033418356.db2.gz PVFNDSLIVXAZFF-UHFFFAOYSA-N 1 1 315.420 3.788 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@]3(CCc4ccccc43)C2)c1 ZINC000877810438 1033460578 /nfs/dbraw/zinc/46/05/78/1033460578.db2.gz FEOJBGAMCSFCKU-LJQANCHMSA-N 1 1 323.827 3.697 20 30 DHEDMO C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](CCC#N)C1CCCC1 ZINC001172965339 1033485964 /nfs/dbraw/zinc/48/59/64/1033485964.db2.gz SNQFBRVGPNTDNH-HNNXBMFYSA-N 1 1 323.481 3.790 20 30 DHEDMO CCC[N@@H+]([C@@H](C)CC)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172981392 1033491558 /nfs/dbraw/zinc/49/15/58/1033491558.db2.gz VXKPOEAVVVCZLB-JYJNAYRXSA-N 1 1 323.481 3.789 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCc2sccc2C1)c1ccccc1 ZINC000877925344 1033515724 /nfs/dbraw/zinc/51/57/24/1033515724.db2.gz FAGOFYNOFBKWSR-IBGZPJMESA-N 1 1 324.449 3.547 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCc2sccc2C1)c1ccccc1 ZINC000877925344 1033515735 /nfs/dbraw/zinc/51/57/35/1033515735.db2.gz FAGOFYNOFBKWSR-IBGZPJMESA-N 1 1 324.449 3.547 20 30 DHEDMO C#CCCCCC[N@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000877980514 1033542638 /nfs/dbraw/zinc/54/26/38/1033542638.db2.gz JKIPYSKIKBRBKR-SFHVURJKSA-N 1 1 309.413 3.671 20 30 DHEDMO C#CCCCCC[N@@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000877980514 1033542645 /nfs/dbraw/zinc/54/26/45/1033542645.db2.gz JKIPYSKIKBRBKR-SFHVURJKSA-N 1 1 309.413 3.671 20 30 DHEDMO CCC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)CC(C)C ZINC000878007217 1033550623 /nfs/dbraw/zinc/55/06/23/1033550623.db2.gz PBEJHJLUFZXIGE-IBGZPJMESA-N 1 1 300.446 3.795 20 30 DHEDMO C=C[C@@](C)(O)C[N@H+]1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC001252556797 1033553890 /nfs/dbraw/zinc/55/38/90/1033553890.db2.gz FCFNAFXGHCMONS-XHDPSFHLSA-N 1 1 300.229 3.720 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H]1C1CCC1)c1ccccc1 ZINC000878048232 1033568137 /nfs/dbraw/zinc/56/81/37/1033568137.db2.gz NUGDXTHTVFMVAD-WOJBJXKFSA-N 1 1 310.441 3.692 20 30 DHEDMO CC[C@H]([NH2+]Cc1ccc(Cl)nc1)c1cccc(C#N)c1O ZINC000924710715 1033572783 /nfs/dbraw/zinc/57/27/83/1033572783.db2.gz BQPSCOBGMUXKDO-AWEZNQCLSA-N 1 1 301.777 3.553 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000878133856 1033592647 /nfs/dbraw/zinc/59/26/47/1033592647.db2.gz OBZFGKFUMDEFEN-DFQSSKMNSA-N 1 1 310.441 3.692 20 30 DHEDMO CSCC[C@@H](C)[N@@H+](C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878251350 1033634767 /nfs/dbraw/zinc/63/47/67/1033634767.db2.gz XOUZCHBUHFDWMX-QAPCUYQASA-N 1 1 318.486 3.500 20 30 DHEDMO CC[C@@H](CSC)[N@@H+](C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878343590 1033664737 /nfs/dbraw/zinc/66/47/37/1033664737.db2.gz FTIITGRGUVLILH-ZWKOTPCHSA-N 1 1 318.486 3.500 20 30 DHEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@@H]3CC[C@@H](CC)C3)C2)C1 ZINC001173276921 1033668795 /nfs/dbraw/zinc/66/87/95/1033668795.db2.gz ZHVOGMAILVGIRS-ZHALLVOQSA-N 1 1 320.477 3.676 20 30 DHEDMO C=CCOC1CCC(N2CC[N@@H+](C3CCCCC3)[C@@H](C)C2)CC1 ZINC001173323267 1033684768 /nfs/dbraw/zinc/68/47/68/1033684768.db2.gz BBWZMYPJIQFSPT-ZJRDLVKKSA-N 1 1 320.521 3.839 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCN(C3CCCCC3)[C@@H](C)C2)CC1 ZINC001173323267 1033684776 /nfs/dbraw/zinc/68/47/76/1033684776.db2.gz BBWZMYPJIQFSPT-ZJRDLVKKSA-N 1 1 320.521 3.839 20 30 DHEDMO C=CCOC1CCC([N@@H+]2CCN(C3CCCCC3)[C@@H](C)C2)CC1 ZINC001173323267 1033684788 /nfs/dbraw/zinc/68/47/88/1033684788.db2.gz BBWZMYPJIQFSPT-ZJRDLVKKSA-N 1 1 320.521 3.839 20 30 DHEDMO C=CCOC1CCC([N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC1 ZINC001173321568 1033685194 /nfs/dbraw/zinc/68/51/94/1033685194.db2.gz MMWHWBNBQVUOCD-BLYZHGLHSA-N 1 1 309.347 3.580 20 30 DHEDMO C=CCOC1CCC([N@H+]2CC[C@H](Oc3ccccc3C)C2)CC1 ZINC001173321280 1033685560 /nfs/dbraw/zinc/68/55/60/1033685560.db2.gz ZRJPVOHXTXAAIJ-ACBHZAAOSA-N 1 1 315.457 3.962 20 30 DHEDMO C=CCOC1CCC([N@H+]2C[C@H]3CCC[C@@]3(COCC)C2)CC1 ZINC001173323961 1033685877 /nfs/dbraw/zinc/68/58/77/1033685877.db2.gz JWAKXSJGXCWTEF-UGXKVIGPSA-N 1 1 307.478 3.639 20 30 DHEDMO CC1(C#N)CC[NH+](CCc2ccccc2Br)CC1 ZINC000878389339 1033686023 /nfs/dbraw/zinc/68/60/23/1033686023.db2.gz FECHUAKLPFFGKO-UHFFFAOYSA-N 1 1 307.235 3.617 20 30 DHEDMO CC1(C#N)CC[NH+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000878389553 1033687237 /nfs/dbraw/zinc/68/72/37/1033687237.db2.gz LZSSLJJNAGMLQM-CQSZACIVSA-N 1 1 313.228 3.652 20 30 DHEDMO C=CCOC1CCC([N@H+](C)CCc2ccccc2OC)CC1 ZINC001173328019 1033688935 /nfs/dbraw/zinc/68/89/35/1033688935.db2.gz XSFUMDHBNZHMQI-UHFFFAOYSA-N 1 1 303.446 3.683 20 30 DHEDMO N#CCC1CCC([N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC1 ZINC001173336891 1033691852 /nfs/dbraw/zinc/69/18/52/1033691852.db2.gz QGPYCVSUBBNWNY-JFUPDXTOSA-N 1 1 302.393 3.751 20 30 DHEDMO N#CCC1CCC([NH+]2CCN(CC3CCCCC3)CC2)CC1 ZINC001173332156 1033692269 /nfs/dbraw/zinc/69/22/69/1033692269.db2.gz WZHSHMKFXDYHDD-UHFFFAOYSA-N 1 1 303.494 3.657 20 30 DHEDMO CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)C1CCC(CC#N)CC1 ZINC001173337013 1033692511 /nfs/dbraw/zinc/69/25/11/1033692511.db2.gz VSYORFHGEPBRMQ-UHFFFAOYSA-N 1 1 323.481 3.648 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)N(C)[C@@H](C)CC(C)C ZINC000553495763 1033709747 /nfs/dbraw/zinc/70/97/47/1033709747.db2.gz KXHRGEPMCSSURT-SFHVURJKSA-N 1 1 316.489 3.610 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)N(C)[C@@H](C)CC(C)C ZINC000553495763 1033709763 /nfs/dbraw/zinc/70/97/63/1033709763.db2.gz KXHRGEPMCSSURT-SFHVURJKSA-N 1 1 316.489 3.610 20 30 DHEDMO C=CCOC1CCC([NH+]2CCN(CC3CCCCC3)CC2)CC1 ZINC001173319712 1033713178 /nfs/dbraw/zinc/71/31/78/1033713178.db2.gz SIUKFECTWXWMGE-UHFFFAOYSA-N 1 1 320.521 3.698 20 30 DHEDMO CC[N@H+]1CC[C@H](N(C2=CC(=O)CCC2)[C@H](C)c2ccccc2)C1 ZINC001173375509 1033719451 /nfs/dbraw/zinc/71/94/51/1033719451.db2.gz VUIWWLYYBBZPQO-APWZRJJASA-N 1 1 312.457 3.781 20 30 DHEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000878488967 1033721518 /nfs/dbraw/zinc/72/15/18/1033721518.db2.gz LBJAXDLHYAYKDM-GOSISDBHSA-N 1 1 314.473 3.617 20 30 DHEDMO C#CCCCCC[N@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000878504524 1033727269 /nfs/dbraw/zinc/72/72/69/1033727269.db2.gz LALBLRDPBDZWOG-HNNXBMFYSA-N 1 1 320.458 3.650 20 30 DHEDMO C#CCCCCC[N@@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000878504524 1033727282 /nfs/dbraw/zinc/72/72/82/1033727282.db2.gz LALBLRDPBDZWOG-HNNXBMFYSA-N 1 1 320.458 3.650 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+](CC1CC1)C1CCC1)c1ccccc1 ZINC000878544839 1033745581 /nfs/dbraw/zinc/74/55/81/1033745581.db2.gz ZXMXSVFFEHLLIB-FQEVSTJZSA-N 1 1 310.441 3.692 20 30 DHEDMO CCCC[C@@H](C)[N@@H+](C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878632579 1033778746 /nfs/dbraw/zinc/77/87/46/1033778746.db2.gz HIWSWCLEJZGGTF-VQIMIIECSA-N 1 1 300.446 3.938 20 30 DHEDMO COC(=O)CC[N@@H+](Cc1ccccc1)C1CCC(C)(C#N)CC1 ZINC001173596279 1033780015 /nfs/dbraw/zinc/78/00/15/1033780015.db2.gz QIACPIQAJFOOTR-UHFFFAOYSA-N 1 1 314.429 3.524 20 30 DHEDMO CC1(C#N)CCC([NH+]2CC(Oc3ccc(F)c(F)c3)C2)CC1 ZINC001173596223 1033781525 /nfs/dbraw/zinc/78/15/25/1033781525.db2.gz OHEAZNJTBVWXFP-UHFFFAOYSA-N 1 1 306.356 3.500 20 30 DHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173598062 1033784608 /nfs/dbraw/zinc/78/46/08/1033784608.db2.gz MVZVVXITCHBJHI-SWKXRBFHSA-N 1 1 306.450 3.655 20 30 DHEDMO CC1(C#N)CCC([N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)CC1 ZINC001173599742 1033784713 /nfs/dbraw/zinc/78/47/13/1033784713.db2.gz PVGSYVKFRPAJDS-OSIBBQKWSA-N 1 1 323.484 3.665 20 30 DHEDMO CC1(C#N)CCC([N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)CC1 ZINC001173597242 1033785833 /nfs/dbraw/zinc/78/58/33/1033785833.db2.gz NAXBOEYPUVTQBE-FWYSVENZSA-N 1 1 309.457 3.527 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccnc(F)c1C ZINC000862229897 1033785920 /nfs/dbraw/zinc/78/59/20/1033785920.db2.gz RCJQVVRYMROEAE-UHFFFAOYSA-N 1 1 300.377 3.726 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccnc(F)c1C ZINC000862229897 1033785932 /nfs/dbraw/zinc/78/59/32/1033785932.db2.gz RCJQVVRYMROEAE-UHFFFAOYSA-N 1 1 300.377 3.726 20 30 DHEDMO CC1(C#N)CCC([NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)CC1 ZINC001173600306 1033787334 /nfs/dbraw/zinc/78/73/34/1033787334.db2.gz YZZKVWAPGGNDMR-HJLBWTBNSA-N 1 1 323.484 3.523 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001173601418 1033788578 /nfs/dbraw/zinc/78/85/78/1033788578.db2.gz SRYVGSAILKWOPZ-QEMIJWRASA-N 1 1 323.484 3.665 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000878675128 1033793532 /nfs/dbraw/zinc/79/35/32/1033793532.db2.gz LQTUZZKVTBIMDP-NSHGMRRFSA-N 1 1 310.441 3.549 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc4cc[nH]c4c3)CCO2)c1 ZINC000862253091 1033798646 /nfs/dbraw/zinc/79/86/46/1033798646.db2.gz KYZSOUWSCPPTFS-HXUWFJFHSA-N 1 1 317.392 3.613 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc4cc[nH]c4c3)CCO2)c1 ZINC000862253091 1033798658 /nfs/dbraw/zinc/79/86/58/1033798658.db2.gz KYZSOUWSCPPTFS-HXUWFJFHSA-N 1 1 317.392 3.613 20 30 DHEDMO COC(=O)c1ccc(C[C@@H](C)[N@@H+](CCC#N)C2CCCC2)cc1 ZINC001173723400 1033843928 /nfs/dbraw/zinc/84/39/28/1033843928.db2.gz JKEHKAFSURRBOB-OAHLLOKOSA-N 1 1 314.429 3.562 20 30 DHEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000862443009 1033855149 /nfs/dbraw/zinc/85/51/49/1033855149.db2.gz KJOMPLXVBLUKON-QGZVFWFLSA-N 1 1 306.409 3.506 20 30 DHEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000862443496 1033855515 /nfs/dbraw/zinc/85/55/15/1033855515.db2.gz PWWLTCBDWGRWSS-KRWDZBQOSA-N 1 1 306.409 3.506 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000862440995 1033855986 /nfs/dbraw/zinc/85/59/86/1033855986.db2.gz NKPQZDBQSJLSGB-GFCCVEGCSA-N 1 1 323.462 3.888 20 30 DHEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000862443001 1033856916 /nfs/dbraw/zinc/85/69/16/1033856916.db2.gz KFUJCHGTUSSFSS-QGZVFWFLSA-N 1 1 306.409 3.506 20 30 DHEDMO CC1(C)C[C@@H]([N@H+](Cc2ccc(C#N)o2)Cc2ccccc2)CO1 ZINC000878888399 1033857647 /nfs/dbraw/zinc/85/76/47/1033857647.db2.gz OSWWAYKCPRNIAY-MRXNPFEDSA-N 1 1 310.397 3.721 20 30 DHEDMO CC1(C)C[C@@H]([N@@H+](Cc2ccc(C#N)o2)Cc2ccccc2)CO1 ZINC000878888399 1033857658 /nfs/dbraw/zinc/85/76/58/1033857658.db2.gz OSWWAYKCPRNIAY-MRXNPFEDSA-N 1 1 310.397 3.721 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000862446628 1033858301 /nfs/dbraw/zinc/85/83/01/1033858301.db2.gz BVSNRXXSNNJTEH-GFCCVEGCSA-N 1 1 318.392 3.934 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)c(OCC=C)c(OC)c2)C1 ZINC000862447794 1033859089 /nfs/dbraw/zinc/85/90/89/1033859089.db2.gz RAXDJHSXXIBYNO-AWEZNQCLSA-N 1 1 319.832 3.759 20 30 DHEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000829773316 1033871790 /nfs/dbraw/zinc/87/17/90/1033871790.db2.gz CWALLZZCMYVUHA-OLZOCXBDSA-N 1 1 301.415 3.594 20 30 DHEDMO C=CCCC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000878960238 1033877624 /nfs/dbraw/zinc/87/76/24/1033877624.db2.gz ITPNUZZMQPJGTQ-NEWSRXKRSA-N 1 1 314.473 3.725 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCCC(F)(F)CC1)c1ccccc1 ZINC000879035214 1033902492 /nfs/dbraw/zinc/90/24/92/1033902492.db2.gz JKHJGTLJSKMCSX-KRWDZBQOSA-N 1 1 320.383 3.548 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+](CC[C@H]1CCCC1(F)F)C2 ZINC000879064381 1033910933 /nfs/dbraw/zinc/91/09/33/1033910933.db2.gz DLGLKQJHDZADRG-MRXNPFEDSA-N 1 1 304.384 3.936 20 30 DHEDMO C=CCOCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000339043007 1033917805 /nfs/dbraw/zinc/91/78/05/1033917805.db2.gz LBJVHIHLVRQCJU-NSHDSACASA-N 1 1 320.380 3.544 20 30 DHEDMO C=CCOCC[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000339043129 1033919522 /nfs/dbraw/zinc/91/95/22/1033919522.db2.gz WEYMLERJLQTBLD-UHFFFAOYSA-N 1 1 308.425 3.916 20 30 DHEDMO COc1ccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)cc1C#N ZINC000174359126 1033926317 /nfs/dbraw/zinc/92/63/17/1033926317.db2.gz XGJDAGPDXIQZHH-UHFFFAOYSA-N 1 1 315.442 3.611 20 30 DHEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1CCCCC(C)(C)C#N ZINC000879226514 1033955870 /nfs/dbraw/zinc/95/58/70/1033955870.db2.gz PVYDUWCPJAWZPS-GJZGRUSLSA-N 1 1 323.481 3.694 20 30 DHEDMO CC(=O)Nc1cccc2c1C[N@H+]([C@H](C)c1cccc(C#N)c1)CC2 ZINC000879237051 1033958762 /nfs/dbraw/zinc/95/87/62/1033958762.db2.gz DKISMTNXTAWZPU-CQSZACIVSA-N 1 1 319.408 3.636 20 30 DHEDMO CC(=O)Nc1cccc2c1C[N@@H+]([C@H](C)c1cccc(C#N)c1)CC2 ZINC000879237051 1033958770 /nfs/dbraw/zinc/95/87/70/1033958770.db2.gz DKISMTNXTAWZPU-CQSZACIVSA-N 1 1 319.408 3.636 20 30 DHEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1ccccc1OCc1ccccc1 ZINC000879241734 1033960789 /nfs/dbraw/zinc/96/07/89/1033960789.db2.gz MYCMPTVKDMPXQL-KRWDZBQOSA-N 1 1 324.424 3.626 20 30 DHEDMO C[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCC[C@@H]1C#N ZINC000879310288 1033979765 /nfs/dbraw/zinc/97/97/65/1033979765.db2.gz SKNQBQITWQQDKC-ONERCXAPSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)[C@H]1CCC[C@@H]1C#N ZINC000879310288 1033979776 /nfs/dbraw/zinc/97/97/76/1033979776.db2.gz SKNQBQITWQQDKC-ONERCXAPSA-N 1 1 313.228 3.651 20 30 DHEDMO Cc1sc2ncnc(N=NC3CC[N@H+](C)C(C)(C)C3)c2c1C ZINC000863069383 1033990355 /nfs/dbraw/zinc/99/03/55/1033990355.db2.gz YACSOPSVRMMALW-UHFFFAOYSA-N 1 1 317.462 3.580 20 30 DHEDMO COc1cncc(/C=C\CC[N@@H+](C)CCc2cccc(C#N)c2)c1 ZINC000879433098 1034016201 /nfs/dbraw/zinc/01/62/01/1034016201.db2.gz SXJZRCAGJOEEPR-UTCJRWHESA-N 1 1 321.424 3.540 20 30 DHEDMO CCCCc1noc([C@H](C)[N@H+](C)CCc2cccc(C#N)c2)n1 ZINC000879434937 1034018719 /nfs/dbraw/zinc/01/87/19/1034018719.db2.gz QRYXSKPJTAACSI-AWEZNQCLSA-N 1 1 312.417 3.519 20 30 DHEDMO CCCCc1noc([C@H](C)[N@@H+](C)CCc2cccc(C#N)c2)n1 ZINC000879434937 1034018732 /nfs/dbraw/zinc/01/87/32/1034018732.db2.gz QRYXSKPJTAACSI-AWEZNQCLSA-N 1 1 312.417 3.519 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000863335146 1034063807 /nfs/dbraw/zinc/06/38/07/1034063807.db2.gz DEDFAUOLBCYMEL-UHFFFAOYSA-N 1 1 318.420 3.505 20 30 DHEDMO C#CC[N@H+](CCCCn1ccnc1C)[C@H]1CCc2ccccc21 ZINC000119427917 1034075478 /nfs/dbraw/zinc/07/54/78/1034075478.db2.gz NWERXXBBZKPYAR-FQEVSTJZSA-N 1 1 307.441 3.594 20 30 DHEDMO N#Cc1ccc(CO[NH+]=C(N)CCC(F)(F)F)c(Cl)c1 ZINC000863490582 1034106954 /nfs/dbraw/zinc/10/69/54/1034106954.db2.gz NSVGWKBJOFUCNG-UHFFFAOYSA-N 1 1 305.687 3.553 20 30 DHEDMO Cc1cncc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000879750967 1034114130 /nfs/dbraw/zinc/11/41/30/1034114130.db2.gz BVBPMMVDUJAPRF-QGZVFWFLSA-N 1 1 322.368 3.507 20 30 DHEDMO Cc1cncc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000879750967 1034114137 /nfs/dbraw/zinc/11/41/37/1034114137.db2.gz BVBPMMVDUJAPRF-QGZVFWFLSA-N 1 1 322.368 3.507 20 30 DHEDMO Cc1ccc(F)c(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001174110287 1034120197 /nfs/dbraw/zinc/12/01/97/1034120197.db2.gz BZRSWSMIIFSWQX-UHFFFAOYSA-N 1 1 301.390 3.799 20 30 DHEDMO COC(=O)CC[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000880044193 1034195304 /nfs/dbraw/zinc/19/53/04/1034195304.db2.gz XAZAHXXDEVYORS-MRXNPFEDSA-N 1 1 306.450 3.516 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC[C@@H](C#N)CCC#N ZINC000554552321 1034203570 /nfs/dbraw/zinc/20/35/70/1034203570.db2.gz SFNOAPUNEWUIMI-QZTJIDSGSA-N 1 1 324.472 3.594 20 30 DHEDMO C=C(Br)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1 ZINC000880101171 1034210220 /nfs/dbraw/zinc/21/02/20/1034210220.db2.gz CIOLWKRRSRZOSO-QMMMGPOBSA-N 1 1 309.129 3.660 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+](CCCC(=O)c1ccccc1)C2 ZINC000626130973 1034232471 /nfs/dbraw/zinc/23/24/71/1034232471.db2.gz LBULSWZLVQUFQK-UHFFFAOYSA-N 1 1 318.420 3.774 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)C1 ZINC000880276750 1034273959 /nfs/dbraw/zinc/27/39/59/1034273959.db2.gz JSTJAHDVJXUSSH-NXHRZFHOSA-N 1 1 320.440 3.948 20 30 DHEDMO Cc1ccccc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000042104265 1034284078 /nfs/dbraw/zinc/28/40/78/1034284078.db2.gz CKYVZRJODSRNNP-UHFFFAOYSA-N 1 1 305.425 3.579 20 30 DHEDMO CC[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000179464220 1034311691 /nfs/dbraw/zinc/31/16/91/1034311691.db2.gz RZETYWIMFJNAEK-ZDUSSCGKSA-N 1 1 324.380 3.576 20 30 DHEDMO C[C@H]1c2sccc2CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000880377341 1034313257 /nfs/dbraw/zinc/31/32/57/1034313257.db2.gz STEYSTINOUNYSU-NSHDSACASA-N 1 1 313.382 3.647 20 30 DHEDMO C[C@H]1c2sccc2CC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000880377341 1034313271 /nfs/dbraw/zinc/31/32/71/1034313271.db2.gz STEYSTINOUNYSU-NSHDSACASA-N 1 1 313.382 3.647 20 30 DHEDMO C=CCCC[C@@H]([NH2+]Cc1cn(CC2CC2)nn1)c1ccccc1 ZINC000880389876 1034321491 /nfs/dbraw/zinc/32/14/91/1034321491.db2.gz KBKPDLXPGPRZOM-LJQANCHMSA-N 1 1 310.445 3.875 20 30 DHEDMO Cn1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(C(C)(C)C)n1 ZINC000179679121 1034326292 /nfs/dbraw/zinc/32/62/92/1034326292.db2.gz UHFCNYZYPQEMMF-UHFFFAOYSA-N 1 1 322.456 3.754 20 30 DHEDMO Cn1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(C(C)(C)C)n1 ZINC000179679121 1034326301 /nfs/dbraw/zinc/32/63/01/1034326301.db2.gz UHFCNYZYPQEMMF-UHFFFAOYSA-N 1 1 322.456 3.754 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C[C@H](C(C)C)CC1=O ZINC000794649580 1034327490 /nfs/dbraw/zinc/32/74/90/1034327490.db2.gz BKLJNKAADLBIRY-GOSISDBHSA-N 1 1 300.446 3.527 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C[C@H](C(C)C)CC1=O ZINC000794649580 1034327502 /nfs/dbraw/zinc/32/75/02/1034327502.db2.gz BKLJNKAADLBIRY-GOSISDBHSA-N 1 1 300.446 3.527 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CCCCO2)CC1 ZINC000880458592 1034335742 /nfs/dbraw/zinc/33/57/42/1034335742.db2.gz YFRHDQNUMXQJMC-UHFFFAOYSA-N 1 1 304.821 3.747 20 30 DHEDMO C#CCC1(O)CC[NH+](Cc2nc(C3CCCCC3)cs2)CC1 ZINC000880484153 1034344081 /nfs/dbraw/zinc/34/40/81/1034344081.db2.gz RHDQTFHOWPCNLA-UHFFFAOYSA-N 1 1 318.486 3.541 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)c(F)c1 ZINC000880573624 1034362935 /nfs/dbraw/zinc/36/29/35/1034362935.db2.gz BQRPBKGGFPPTGO-QGZVFWFLSA-N 1 1 316.420 3.726 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)cc1F ZINC000880578122 1034367606 /nfs/dbraw/zinc/36/76/06/1034367606.db2.gz MLWOLXSZAJTPOO-GOSISDBHSA-N 1 1 316.420 3.726 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1Br)CC1CC1 ZINC000480767101 1034434855 /nfs/dbraw/zinc/43/48/55/1034434855.db2.gz ULGCABOIPWOUNF-UHFFFAOYSA-N 1 1 307.235 3.943 20 30 DHEDMO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(F)ccc1F ZINC000794816938 1034536241 /nfs/dbraw/zinc/53/62/41/1034536241.db2.gz RVDHKDQXQDBYCC-QGZVFWFLSA-N 1 1 301.340 3.718 20 30 DHEDMO N#Cc1ccnc(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC001174844314 1034643319 /nfs/dbraw/zinc/64/33/19/1034643319.db2.gz BRYHVIQZUFNGON-HNNXBMFYSA-N 1 1 313.351 3.611 20 30 DHEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000481311144 1034737629 /nfs/dbraw/zinc/73/76/29/1034737629.db2.gz CYDVDKJKNRUMBK-UHFFFAOYSA-N 1 1 324.424 3.712 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000481311144 1034737640 /nfs/dbraw/zinc/73/76/40/1034737640.db2.gz CYDVDKJKNRUMBK-UHFFFAOYSA-N 1 1 324.424 3.712 20 30 DHEDMO C=CCOc1c(Cl)cc(C[NH2+][C@@H](CC)CC#N)cc1OC ZINC000600152766 1034775702 /nfs/dbraw/zinc/77/57/02/1034775702.db2.gz WGSYBQMMWGDWKJ-ZDUSSCGKSA-N 1 1 308.809 3.695 20 30 DHEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000600195415 1034800998 /nfs/dbraw/zinc/80/09/98/1034800998.db2.gz IRRPUAXEIXPXLF-CABCVRRESA-N 1 1 308.466 3.616 20 30 DHEDMO Cc1ccc2n[nH]cc2c1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001175526458 1035027303 /nfs/dbraw/zinc/02/73/03/1035027303.db2.gz WFGXSEXAZKDZKT-UHFFFAOYSA-N 1 1 323.425 3.536 20 30 DHEDMO Cc1ccc2[nH]ncc2c1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001175526458 1035027312 /nfs/dbraw/zinc/02/73/12/1035027312.db2.gz WFGXSEXAZKDZKT-UHFFFAOYSA-N 1 1 323.425 3.536 20 30 DHEDMO Cc1ccc2[nH]ncc2c1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001175526458 1035027318 /nfs/dbraw/zinc/02/73/18/1035027318.db2.gz WFGXSEXAZKDZKT-UHFFFAOYSA-N 1 1 323.425 3.536 20 30 DHEDMO C[C@@H](Cc1ccccc1)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000481986279 1035041099 /nfs/dbraw/zinc/04/10/99/1035041099.db2.gz SDJVTMAOWACLLG-LAUBAEHRSA-N 1 1 320.436 3.810 20 30 DHEDMO CC(C)C[C@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000160324674 1035171833 /nfs/dbraw/zinc/17/18/33/1035171833.db2.gz AOGKZPIYOLFKNA-OAHLLOKOSA-N 1 1 319.474 3.849 20 30 DHEDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC001176020445 1035186940 /nfs/dbraw/zinc/18/69/40/1035186940.db2.gz HYMOUWOLHSNZIW-HNNXBMFYSA-N 1 1 306.837 3.991 20 30 DHEDMO CC(C)(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000483228250 1035240767 /nfs/dbraw/zinc/24/07/67/1035240767.db2.gz CKZVROOZRQHKDG-MRXNPFEDSA-N 1 1 313.445 3.645 20 30 DHEDMO Cn1cc(C[N@H+]2CCCC[C@H]2CCc2ccccc2)cc1C#N ZINC000483265527 1035249387 /nfs/dbraw/zinc/24/93/87/1035249387.db2.gz TWMDONDWLSQFKU-IBGZPJMESA-N 1 1 307.441 3.884 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCSCC[C@@H]2C)ccc1OC ZINC000483419303 1035266919 /nfs/dbraw/zinc/26/69/19/1035266919.db2.gz HXEKNPMTJHDTGI-HNNXBMFYSA-N 1 1 321.486 3.978 20 30 DHEDMO C(#Cc1ccccc1)C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000483599198 1035282043 /nfs/dbraw/zinc/28/20/43/1035282043.db2.gz ZVTJRTNCELLOMN-IBGZPJMESA-N 1 1 319.404 3.646 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000483599198 1035282048 /nfs/dbraw/zinc/28/20/48/1035282048.db2.gz ZVTJRTNCELLOMN-IBGZPJMESA-N 1 1 319.404 3.646 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000483612684 1035283055 /nfs/dbraw/zinc/28/30/55/1035283055.db2.gz CWIRDESREHHQOW-ZDUSSCGKSA-N 1 1 300.229 3.679 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCc2c(Cl)cc(Cl)cc2C1 ZINC000483612684 1035283064 /nfs/dbraw/zinc/28/30/64/1035283064.db2.gz CWIRDESREHHQOW-ZDUSSCGKSA-N 1 1 300.229 3.679 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000483958466 1035310135 /nfs/dbraw/zinc/31/01/35/1035310135.db2.gz JPJJPLGNLBQEOT-LJQANCHMSA-N 1 1 323.415 3.798 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000483975963 1035311999 /nfs/dbraw/zinc/31/19/99/1035311999.db2.gz IKTVBMCRXBYRSJ-KBAYOESNSA-N 1 1 316.420 3.723 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1cccc(C#N)c1)CC1CCCCC1 ZINC000484489034 1035340771 /nfs/dbraw/zinc/34/07/71/1035340771.db2.gz PDWUJLXZOSUFHI-UHFFFAOYSA-N 1 1 311.429 3.565 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc3cc(OC)ccc3n2)no1 ZINC000904531557 1035423112 /nfs/dbraw/zinc/42/31/12/1035423112.db2.gz OFIZLDSEMNIJKE-AWEZNQCLSA-N 1 1 324.384 3.650 20 30 DHEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2cccnc2OC)no1 ZINC000904562781 1035429338 /nfs/dbraw/zinc/42/93/38/1035429338.db2.gz BQIHGVNRESXHKC-AWEZNQCLSA-N 1 1 318.421 3.891 20 30 DHEDMO C#CCOc1ccc(C[NH2+]Cc2c(F)cc(C)cc2F)cc1 ZINC001178754794 1035445766 /nfs/dbraw/zinc/44/57/66/1035445766.db2.gz WDDLUWQKFIDXBM-UHFFFAOYSA-N 1 1 301.336 3.575 20 30 DHEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2nccc(C)n2)no1 ZINC000904707612 1035445888 /nfs/dbraw/zinc/44/58/88/1035445888.db2.gz IRLDALDEMRMSLS-ZDUSSCGKSA-N 1 1 303.410 3.585 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(C(C)(C)c2ccccc2OC)no1 ZINC000904702081 1035446224 /nfs/dbraw/zinc/44/62/24/1035446224.db2.gz VJGVHEIMMMVXCZ-CQSZACIVSA-N 1 1 315.417 3.760 20 30 DHEDMO CCCCCCCC[C@H]([NH3+])c1nc([C@@H]2CCOC[C@H]2C)no1 ZINC000904713771 1035446620 /nfs/dbraw/zinc/44/66/20/1035446620.db2.gz XTQRMCYBKGNOKZ-KFWWJZLASA-N 1 1 309.454 3.960 20 30 DHEDMO C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(OCC#N)cn2)cc1 ZINC000904754208 1035447783 /nfs/dbraw/zinc/44/77/83/1035447783.db2.gz VIYWDLJWPKVQPK-HNNXBMFYSA-N 1 1 307.397 3.635 20 30 DHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2ccc(C)nn2)no1 ZINC000904732604 1035449686 /nfs/dbraw/zinc/44/96/86/1035449686.db2.gz IRPIHCFTTBYGBZ-CYBMUJFWSA-N 1 1 303.410 3.585 20 30 DHEDMO C#CCOc1cccc(Cl)c1CN[C@H](C)C[N@H+](CC)CCC ZINC001178831181 1035450592 /nfs/dbraw/zinc/45/05/92/1035450592.db2.gz KNPMPABXHVIPJN-OAHLLOKOSA-N 1 1 322.880 3.562 20 30 DHEDMO CCCCCCC[C@H](C)NC(=O)N1CC[C@H]([N@@H+](C)C2CC2)C1 ZINC001192938459 1035521169 /nfs/dbraw/zinc/52/11/69/1035521169.db2.gz QTELHVSPTYDUQF-RDJZCZTQSA-N 1 1 309.498 3.614 20 30 DHEDMO CCCCCCC[C@H](C)NC(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001192938469 1035522066 /nfs/dbraw/zinc/52/20/66/1035522066.db2.gz RAENYYKALIQMEK-IRXDYDNUSA-N 1 1 311.514 3.860 20 30 DHEDMO CCCCCCC[C@H](C)NC(=O)N1C[C@@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001192937427 1035522103 /nfs/dbraw/zinc/52/21/03/1035522103.db2.gz COZOAGQLWBAMBT-OKZBNKHCSA-N 1 1 323.525 3.719 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2Cc2cccc(OC)c2)cc1 ZINC001179966549 1035561133 /nfs/dbraw/zinc/56/11/33/1035561133.db2.gz OGPKAKTUUMRCHT-FQEVSTJZSA-N 1 1 305.421 3.884 20 30 DHEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2csc(C#N)c2)cc1 ZINC001180081974 1035588253 /nfs/dbraw/zinc/58/82/53/1035588253.db2.gz PCHGCOWDABSAKE-CQSZACIVSA-N 1 1 314.454 3.939 20 30 DHEDMO CCOC(=O)C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)CC(C)C ZINC000775582834 1035594361 /nfs/dbraw/zinc/59/43/61/1035594361.db2.gz WSCIDEPQWURLNH-UHFFFAOYSA-N 1 1 316.445 3.509 20 30 DHEDMO CCOC(=O)C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)CC(C)C ZINC000775582834 1035594363 /nfs/dbraw/zinc/59/43/63/1035594363.db2.gz WSCIDEPQWURLNH-UHFFFAOYSA-N 1 1 316.445 3.509 20 30 DHEDMO C#Cc1ccc(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001180143323 1035597130 /nfs/dbraw/zinc/59/71/30/1035597130.db2.gz VWQDYAQKLKHBSN-RTBURBONSA-N 1 1 318.464 3.763 20 30 DHEDMO C#Cc1ccc(C[N@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)cc1 ZINC001180143323 1035597138 /nfs/dbraw/zinc/59/71/38/1035597138.db2.gz VWQDYAQKLKHBSN-RTBURBONSA-N 1 1 318.464 3.763 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)cc1 ZINC001180143323 1035597149 /nfs/dbraw/zinc/59/71/49/1035597149.db2.gz VWQDYAQKLKHBSN-RTBURBONSA-N 1 1 318.464 3.763 20 30 DHEDMO COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)cc1C#N ZINC000535387313 1035606195 /nfs/dbraw/zinc/60/61/95/1035606195.db2.gz MEEJWAAWKQRNQM-BEFAXECRSA-N 1 1 306.409 3.945 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@@H]2CC)c1 ZINC001180161606 1035612760 /nfs/dbraw/zinc/61/27/60/1035612760.db2.gz IZQYBDZFKNOIFP-ZWKOTPCHSA-N 1 1 312.457 3.755 20 30 DHEDMO C#CC[N@@H+](CC#CC)Cc1ccc(C)c(Br)c1C ZINC001180203028 1035618798 /nfs/dbraw/zinc/61/87/98/1035618798.db2.gz HFWWHSQFMYAZNY-UHFFFAOYSA-N 1 1 304.231 3.524 20 30 DHEDMO C#CC[N@H+](CC#CC)Cc1ccc(C)c(Br)c1C ZINC001180203028 1035618807 /nfs/dbraw/zinc/61/88/07/1035618807.db2.gz HFWWHSQFMYAZNY-UHFFFAOYSA-N 1 1 304.231 3.524 20 30 DHEDMO C#CC[N@H+](Cc1ccnn1C1CCC1)[C@H]1CCc2ccccc21 ZINC001180296836 1035645931 /nfs/dbraw/zinc/64/59/31/1035645931.db2.gz MPWLCMRCFWBUHX-FQEVSTJZSA-N 1 1 305.425 3.731 20 30 DHEDMO C#CC[N@@H+](Cc1ccnn1C1CCC1)[C@H]1CCc2ccccc21 ZINC001180296836 1035645955 /nfs/dbraw/zinc/64/59/55/1035645955.db2.gz MPWLCMRCFWBUHX-FQEVSTJZSA-N 1 1 305.425 3.731 20 30 DHEDMO CCc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)nc1 ZINC000569006941 1035711378 /nfs/dbraw/zinc/71/13/78/1035711378.db2.gz QJEWNIVFHOVSLP-UXHICEINSA-N 1 1 305.425 3.916 20 30 DHEDMO CCc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)nc1 ZINC000569006941 1035711382 /nfs/dbraw/zinc/71/13/82/1035711382.db2.gz QJEWNIVFHOVSLP-UXHICEINSA-N 1 1 305.425 3.916 20 30 DHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000494608193 1035731197 /nfs/dbraw/zinc/73/11/97/1035731197.db2.gz QCFFPMISMKQGBS-CABCVRRESA-N 1 1 323.481 3.551 20 30 DHEDMO CCN(CC)[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)CC(C)C ZINC000539499937 1035751414 /nfs/dbraw/zinc/75/14/14/1035751414.db2.gz TUASUVLGSGLAJG-QFBILLFUSA-N 1 1 301.478 3.965 20 30 DHEDMO C=CC[C@@H]1[N@@H+](CC(=O)N(C)Cc2ccccc2)CCCC1(C)C ZINC001193919606 1035771919 /nfs/dbraw/zinc/77/19/19/1035771919.db2.gz CQQLVVMUHURUIE-SFHVURJKSA-N 1 1 314.473 3.712 20 30 DHEDMO C=CC[N@H+](C)Cc1cc(Br)ccc1OC(F)F ZINC000494697966 1035778805 /nfs/dbraw/zinc/77/88/05/1035778805.db2.gz GUJRBYLHDGRADA-UHFFFAOYSA-N 1 1 306.150 3.668 20 30 DHEDMO C[C@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000539608559 1035790188 /nfs/dbraw/zinc/79/01/88/1035790188.db2.gz RFVKLECFLCDGIC-XHSDSOJGSA-N 1 1 317.452 3.716 20 30 DHEDMO CCCCCCCOC(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001193993539 1035809975 /nfs/dbraw/zinc/80/99/75/1035809975.db2.gz GVHWQLMYOYTMHD-UHFFFAOYSA-N 1 1 302.378 3.786 20 30 DHEDMO C=C(C)C[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000153126222 1035855959 /nfs/dbraw/zinc/85/59/59/1035855959.db2.gz OXVRDOXDLAMRPO-GFCCVEGCSA-N 1 1 324.350 3.504 20 30 DHEDMO C#C[C@H](C)[N@H+](C)Cc1c(Oc2ccc(F)cc2)nc2ccccn21 ZINC001181297115 1035881805 /nfs/dbraw/zinc/88/18/05/1035881805.db2.gz LURPBERBKTXDAA-AWEZNQCLSA-N 1 1 323.371 3.719 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)Cc1c(Oc2ccc(F)cc2)nc2ccccn21 ZINC001181297115 1035881824 /nfs/dbraw/zinc/88/18/24/1035881824.db2.gz LURPBERBKTXDAA-AWEZNQCLSA-N 1 1 323.371 3.719 20 30 DHEDMO Cc1cc(Br)ccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000539862520 1035908944 /nfs/dbraw/zinc/90/89/44/1035908944.db2.gz CDBKOLSRRJGADX-NSHDSACASA-N 1 1 307.235 3.882 20 30 DHEDMO Cc1cc(Br)ccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000539862520 1035908953 /nfs/dbraw/zinc/90/89/53/1035908953.db2.gz CDBKOLSRRJGADX-NSHDSACASA-N 1 1 307.235 3.882 20 30 DHEDMO Cc1cc(Br)ccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000539862519 1035910893 /nfs/dbraw/zinc/91/08/93/1035910893.db2.gz CDBKOLSRRJGADX-LLVKDONJSA-N 1 1 307.235 3.882 20 30 DHEDMO Cc1cc(Br)ccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000539862519 1035910898 /nfs/dbraw/zinc/91/08/98/1035910898.db2.gz CDBKOLSRRJGADX-LLVKDONJSA-N 1 1 307.235 3.882 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001194392791 1035918893 /nfs/dbraw/zinc/91/88/93/1035918893.db2.gz CNEWDZBYPPJZRL-DLBZAZTESA-N 1 1 322.493 3.922 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001194392794 1035920741 /nfs/dbraw/zinc/92/07/41/1035920741.db2.gz CNEWDZBYPPJZRL-SJORKVTESA-N 1 1 322.493 3.922 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)cc1 ZINC000485804513 1035976689 /nfs/dbraw/zinc/97/66/89/1035976689.db2.gz HSNGTTZJOXQSKC-OAQYLSRUSA-N 1 1 318.420 3.836 20 30 DHEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)Oc1ccc2ccccc2c1 ZINC001194672759 1035987497 /nfs/dbraw/zinc/98/74/97/1035987497.db2.gz HMHAJRYVSWAHEQ-KRWDZBQOSA-N 1 1 310.397 3.579 20 30 DHEDMO CC[C@H](c1ccccc1OC)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001194807748 1036042746 /nfs/dbraw/zinc/04/27/46/1036042746.db2.gz UBPHPCQDUSNKMQ-MOPGFXCFSA-N 1 1 324.424 3.683 20 30 DHEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)/N=C/c1cc(Cl)ccc1O ZINC000775630473 1036116466 /nfs/dbraw/zinc/11/64/66/1036116466.db2.gz LNGXUHJIFMLVJX-XLTHYULKSA-N 1 1 316.832 3.985 20 30 DHEDMO Cc1[nH+]c(C=NN=c2[nH]c3ccccc3s2)c2ccccn12 ZINC000914601517 1036155332 /nfs/dbraw/zinc/15/53/32/1036155332.db2.gz VABOSRNZVKERTL-UHFFFAOYSA-N 1 1 307.382 3.698 20 30 DHEDMO C=C[C@H](CC)CC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001127247504 1036229622 /nfs/dbraw/zinc/22/96/22/1036229622.db2.gz XLPNTJXCOMGVCX-RCCFBDPRSA-N 1 1 314.473 3.710 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001195367319 1036230132 /nfs/dbraw/zinc/23/01/32/1036230132.db2.gz IERHRTVOVUIWIO-GFCCVEGCSA-N 1 1 313.332 3.799 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCC(C)(C)C ZINC001195499318 1036273042 /nfs/dbraw/zinc/27/30/42/1036273042.db2.gz ULZRTRGBTXHWQD-UHFFFAOYSA-N 1 1 321.852 3.908 20 30 DHEDMO COc1ccc(OCC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000541318212 1036294799 /nfs/dbraw/zinc/29/47/99/1036294799.db2.gz MBCAMFMPFYVBQA-UHFFFAOYSA-N 1 1 322.408 3.610 20 30 DHEDMO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000613254660 1036350436 /nfs/dbraw/zinc/35/04/36/1036350436.db2.gz QACXFZYNWLIZJX-GUDVDZBRSA-N 1 1 303.494 3.703 20 30 DHEDMO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN2CC2CCCCC2)C1 ZINC000613254660 1036350465 /nfs/dbraw/zinc/35/04/65/1036350465.db2.gz QACXFZYNWLIZJX-GUDVDZBRSA-N 1 1 303.494 3.703 20 30 DHEDMO N#C[C@@H]1CCC[C@@H](NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000613254660 1036350480 /nfs/dbraw/zinc/35/04/80/1036350480.db2.gz QACXFZYNWLIZJX-GUDVDZBRSA-N 1 1 303.494 3.703 20 30 DHEDMO N#C[C@@H]1CCC[C@@H](NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000613254660 1036350501 /nfs/dbraw/zinc/35/05/01/1036350501.db2.gz QACXFZYNWLIZJX-GUDVDZBRSA-N 1 1 303.494 3.703 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)CCc1ccccc1 ZINC000541589524 1036378338 /nfs/dbraw/zinc/37/83/38/1036378338.db2.gz ASGVJQXSEXDWAZ-OAQYLSRUSA-N 1 1 322.452 3.764 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC001182542770 1036382304 /nfs/dbraw/zinc/38/23/04/1036382304.db2.gz FYMAYIDRALQPAW-ZDUSSCGKSA-N 1 1 322.246 3.698 20 30 DHEDMO CC[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccn(C)n1 ZINC000541741460 1036415670 /nfs/dbraw/zinc/41/56/70/1036415670.db2.gz KABIVPFMSVVSKK-HNNXBMFYSA-N 1 1 321.346 3.531 20 30 DHEDMO COc1cccc([C@]2(C)CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001196131915 1036443968 /nfs/dbraw/zinc/44/39/68/1036443968.db2.gz KAGJKFJRSYZMDM-HXUWFJFHSA-N 1 1 324.399 3.870 20 30 DHEDMO Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541948650 1036469786 /nfs/dbraw/zinc/46/97/86/1036469786.db2.gz MIWQAXZMALXUSK-UHFFFAOYSA-N 1 1 313.445 3.683 20 30 DHEDMO Cc1scc(C[NH+]2CCN(c3ccsc3C#N)CC2)c1C ZINC001182864866 1036470422 /nfs/dbraw/zinc/47/04/22/1036470422.db2.gz NRXJBAQYHITBDT-UHFFFAOYSA-N 1 1 317.483 3.620 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000595911145 1036470687 /nfs/dbraw/zinc/47/06/87/1036470687.db2.gz NWPAYCVCHHPCTG-UHFFFAOYSA-N 1 1 304.393 3.558 20 30 DHEDMO C#CCCCCCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001196219040 1036475270 /nfs/dbraw/zinc/47/52/70/1036475270.db2.gz UUUJCMHKMKDORT-IRXDYDNUSA-N 1 1 307.478 3.870 20 30 DHEDMO C[C@@H](NCc1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272236928 1036536320 /nfs/dbraw/zinc/53/63/20/1036536320.db2.gz VRRAOXBYALIKFR-DYESRHJHSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@@H](NCc1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272236928 1036536331 /nfs/dbraw/zinc/53/63/31/1036536331.db2.gz VRRAOXBYALIKFR-DYESRHJHSA-N 1 1 319.452 3.558 20 30 DHEDMO Cc1c(Cl)cccc1N[NH+]=Cc1ccc(N(C)CCO)cc1 ZINC000915051034 1036583909 /nfs/dbraw/zinc/58/39/09/1036583909.db2.gz KCNKMRGAZHPLJE-UHFFFAOYSA-N 1 1 317.820 3.523 20 30 DHEDMO C#CC[N@@H+](Cc1cc2ccnc(Cl)c2s1)C1CSC1 ZINC001183419602 1036591885 /nfs/dbraw/zinc/59/18/85/1036591885.db2.gz PSEWFGNSOCBVPZ-UHFFFAOYSA-N 1 1 308.859 3.500 20 30 DHEDMO C#CC[N@H+](Cc1cc2ccnc(Cl)c2s1)C1CSC1 ZINC001183419602 1036591891 /nfs/dbraw/zinc/59/18/91/1036591891.db2.gz PSEWFGNSOCBVPZ-UHFFFAOYSA-N 1 1 308.859 3.500 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccc(F)cc1 ZINC000491631548 1036615992 /nfs/dbraw/zinc/61/59/92/1036615992.db2.gz OFAOVCVEAYVGGH-AUUYWEPGSA-N 1 1 308.356 3.581 20 30 DHEDMO C=CCC(C)(C)CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC001183570858 1036620359 /nfs/dbraw/zinc/62/03/59/1036620359.db2.gz IFCDTERRERYXPS-SFHVURJKSA-N 1 1 314.473 3.828 20 30 DHEDMO Cc1ccccc1C[N@H+]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC000030153930 1036626755 /nfs/dbraw/zinc/62/67/55/1036626755.db2.gz OQMRCALLBJPTJG-UHFFFAOYSA-N 1 1 319.452 3.575 20 30 DHEDMO Cc1ccccc1C[N@H+]1CCCN(Cc2ccccc2C#N)CC1 ZINC000030154074 1036627378 /nfs/dbraw/zinc/62/73/78/1036627378.db2.gz SKOQWQQNBKTKLT-UHFFFAOYSA-N 1 1 319.452 3.575 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)OCCCCC1(C#N)CCC1 ZINC000909306021 1036670443 /nfs/dbraw/zinc/67/04/43/1036670443.db2.gz MBHDWNRVZJKNPN-MRXNPFEDSA-N 1 1 306.450 3.658 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000774684190 1036678330 /nfs/dbraw/zinc/67/83/30/1036678330.db2.gz VPIRXOSFBJHVSG-HRCADAONSA-N 1 1 310.482 3.966 20 30 DHEDMO COC[C@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1ccc(C)o1 ZINC000271918035 1036685019 /nfs/dbraw/zinc/68/50/19/1036685019.db2.gz CYNDXPRLGAMMQO-WBMJQRKESA-N 1 1 302.349 3.637 20 30 DHEDMO CC(C)(C#N)c1ccc(C[NH2+]Cc2nc3ccccc3o2)cc1 ZINC001183908940 1036704028 /nfs/dbraw/zinc/70/40/28/1036704028.db2.gz GZAQZHKFXQZKLL-UHFFFAOYSA-N 1 1 305.381 3.919 20 30 DHEDMO CCCCCCCC[C@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001273739095 1036710104 /nfs/dbraw/zinc/71/01/04/1036710104.db2.gz XHWAJOYUIDNZSI-WNRNVDISSA-N 1 1 306.494 3.536 20 30 DHEDMO Cc1ccc(C)c(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000487866134 1036753122 /nfs/dbraw/zinc/75/31/22/1036753122.db2.gz BPUYULVYZPYHFR-MRXNPFEDSA-N 1 1 321.424 3.807 20 30 DHEDMO Cc1ccc(C)c(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000487866134 1036753138 /nfs/dbraw/zinc/75/31/38/1036753138.db2.gz BPUYULVYZPYHFR-MRXNPFEDSA-N 1 1 321.424 3.807 20 30 DHEDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000495653355 1036806229 /nfs/dbraw/zinc/80/62/29/1036806229.db2.gz RINBTFLOZFIACH-GOSISDBHSA-N 1 1 323.481 3.553 20 30 DHEDMO C=CCCCCC[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000488187147 1036894951 /nfs/dbraw/zinc/89/49/51/1036894951.db2.gz TXEVVWXUUGMSJI-KRWDZBQOSA-N 1 1 315.461 3.787 20 30 DHEDMO Cc1cc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)ccc1C#N ZINC000488220030 1036903463 /nfs/dbraw/zinc/90/34/63/1036903463.db2.gz SPMUKZUEKSEPJR-NRFANRHFSA-N 1 1 320.436 3.700 20 30 DHEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000492532560 1036907901 /nfs/dbraw/zinc/90/79/01/1036907901.db2.gz HOAXYWYFDBAPRZ-HNNXBMFYSA-N 1 1 307.235 3.941 20 30 DHEDMO Cc1cc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)ccc1C#N ZINC000488273463 1036929267 /nfs/dbraw/zinc/92/92/67/1036929267.db2.gz FCCABHHGDCRVJY-UHFFFAOYSA-N 1 1 304.315 3.916 20 30 DHEDMO Cc1cc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)ccc1C#N ZINC000488273463 1036929282 /nfs/dbraw/zinc/92/92/82/1036929282.db2.gz FCCABHHGDCRVJY-UHFFFAOYSA-N 1 1 304.315 3.916 20 30 DHEDMO C#CC[N@@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)[C@H]1CCCc2ccccc21 ZINC001198104881 1036955225 /nfs/dbraw/zinc/95/52/25/1036955225.db2.gz VEAPCSXHLSBXAL-JYAXBFRTSA-N 1 1 309.453 3.957 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@H](COc3ccccc3)C2)ccc1C#N ZINC000488323714 1036971113 /nfs/dbraw/zinc/97/11/13/1036971113.db2.gz ISSBYCDZNXUHSE-SFHVURJKSA-N 1 1 306.409 3.768 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000488418697 1037002275 /nfs/dbraw/zinc/00/22/75/1037002275.db2.gz NVSWXQFZXBRHQR-INIZCTEOSA-N 1 1 308.425 3.938 20 30 DHEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1-n1cncn1 ZINC001198414262 1037016681 /nfs/dbraw/zinc/01/66/81/1037016681.db2.gz JUARXFAQLCXEGQ-INIZCTEOSA-N 1 1 316.836 3.851 20 30 DHEDMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC001198457842 1037024870 /nfs/dbraw/zinc/02/48/70/1037024870.db2.gz MBUFKZLCYGHDOW-AWEZNQCLSA-N 1 1 308.853 3.633 20 30 DHEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001198489600 1037036852 /nfs/dbraw/zinc/03/68/52/1037036852.db2.gz CJSDDHLZGQIOCB-LLVKDONJSA-N 1 1 311.179 3.508 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001198489600 1037036863 /nfs/dbraw/zinc/03/68/63/1037036863.db2.gz CJSDDHLZGQIOCB-LLVKDONJSA-N 1 1 311.179 3.508 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC001198492200 1037037922 /nfs/dbraw/zinc/03/79/22/1037037922.db2.gz ZRTRTVWIDXOAKE-IBGZPJMESA-N 1 1 320.436 3.866 20 30 DHEDMO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC001198492200 1037037930 /nfs/dbraw/zinc/03/79/30/1037037930.db2.gz ZRTRTVWIDXOAKE-IBGZPJMESA-N 1 1 320.436 3.866 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCC[C@H]1C ZINC000487983972 1037088041 /nfs/dbraw/zinc/08/80/41/1037088041.db2.gz XWOPQPLRXOABJZ-DYVFJYSZSA-N 1 1 306.837 3.849 20 30 DHEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCCC12CCCCCC2 ZINC001198743296 1037113761 /nfs/dbraw/zinc/11/37/61/1037113761.db2.gz ULCOMYNFABYMOW-QGZVFWFLSA-N 1 1 319.493 3.573 20 30 DHEDMO C=C(CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000488893501 1037174324 /nfs/dbraw/zinc/17/43/24/1037174324.db2.gz SIARVQQLCZXHQY-LJQANCHMSA-N 1 1 312.457 3.613 20 30 DHEDMO N#CC1(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000775971737 1037272914 /nfs/dbraw/zinc/27/29/14/1037272914.db2.gz FBLWYQRVFBOZIP-HUUCEWRRSA-N 1 1 304.459 3.720 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1cccc(F)c1)Cc1cccs1 ZINC000054427180 1037346063 /nfs/dbraw/zinc/34/60/63/1037346063.db2.gz WSJXBEGCTVHDPF-UHFFFAOYSA-N 1 1 318.417 3.904 20 30 DHEDMO N#Cc1nc(NC[C@H]2CCC[N@H+]2C2CCCCC2)sc1Cl ZINC001186285513 1037357109 /nfs/dbraw/zinc/35/71/09/1037357109.db2.gz SSFVFSCEFOAJAY-GFCCVEGCSA-N 1 1 324.881 3.877 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1CCCc1nc(-c2cccs2)no1 ZINC000489439678 1037431222 /nfs/dbraw/zinc/43/12/22/1037431222.db2.gz RFRFCJUDMBWZMK-ZDUSSCGKSA-N 1 1 303.431 3.771 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000489458371 1037440780 /nfs/dbraw/zinc/44/07/80/1037440780.db2.gz DCJBEYLGJJSICH-LBPRGKRZSA-N 1 1 303.793 3.931 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000489458371 1037440784 /nfs/dbraw/zinc/44/07/84/1037440784.db2.gz DCJBEYLGJJSICH-LBPRGKRZSA-N 1 1 303.793 3.931 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000489447015 1037444238 /nfs/dbraw/zinc/44/42/38/1037444238.db2.gz JKZHFFVXMDMFAP-CQSZACIVSA-N 1 1 303.356 3.691 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccn(-c2c(F)cccc2F)n1 ZINC000489447015 1037444246 /nfs/dbraw/zinc/44/42/46/1037444246.db2.gz JKZHFFVXMDMFAP-CQSZACIVSA-N 1 1 303.356 3.691 20 30 DHEDMO Cc1cc(Br)cc(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000775056751 1037510150 /nfs/dbraw/zinc/51/01/50/1037510150.db2.gz MAFYZFFCEJZDCJ-UHFFFAOYSA-N 1 1 307.235 3.883 20 30 DHEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCCc2ccccc21 ZINC000763224436 1037520568 /nfs/dbraw/zinc/52/05/68/1037520568.db2.gz ABPPYWBILMAKLJ-UXHICEINSA-N 1 1 306.409 3.601 20 30 DHEDMO CC(C)CC[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763242636 1037525814 /nfs/dbraw/zinc/52/58/14/1037525814.db2.gz VGFBZOKYKWZYFL-MOPGFXCFSA-N 1 1 300.446 3.882 20 30 DHEDMO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)C1(C)CCCC1 ZINC000489852659 1037544919 /nfs/dbraw/zinc/54/49/19/1037544919.db2.gz REIFBUKKLZSTEL-UHFFFAOYSA-N 1 1 317.458 3.505 20 30 DHEDMO C=CCC(C)(C)CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000489929296 1037558185 /nfs/dbraw/zinc/55/81/85/1037558185.db2.gz BLXSKTVZSCSDKP-OAHLLOKOSA-N 1 1 308.853 3.661 20 30 DHEDMO C[C@H](CN[C@@H](C)c1ccc(OCC#N)cc1)[N@@H+]1CCCC[C@H]1C ZINC000776153526 1037599478 /nfs/dbraw/zinc/59/94/78/1037599478.db2.gz DCGUSASDZVMEHT-ZACQAIPSSA-N 1 1 315.461 3.502 20 30 DHEDMO C[C@H](CN[C@@H](C)c1ccc(OCC#N)cc1)[N@H+]1CCCC[C@H]1C ZINC000776153526 1037599485 /nfs/dbraw/zinc/59/94/85/1037599485.db2.gz DCGUSASDZVMEHT-ZACQAIPSSA-N 1 1 315.461 3.502 20 30 DHEDMO Cc1nsc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)c1C#N ZINC001187360764 1037619706 /nfs/dbraw/zinc/61/97/06/1037619706.db2.gz ATOBGDVKLWUNBW-AWEZNQCLSA-N 1 1 304.463 3.532 20 30 DHEDMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1nc(C(C)(C)C)ccc1C#N ZINC001187361771 1037620683 /nfs/dbraw/zinc/62/06/83/1037620683.db2.gz PVSJMYSBEPFJMD-QGZVFWFLSA-N 1 1 320.440 3.849 20 30 DHEDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1nc(C(C)(C)C)ccc1C#N ZINC001187361771 1037620692 /nfs/dbraw/zinc/62/06/92/1037620692.db2.gz PVSJMYSBEPFJMD-QGZVFWFLSA-N 1 1 320.440 3.849 20 30 DHEDMO Cc1ccc(N=NC2C[N@H+](Cc3ccccc3)CC[C@@H]2C)nc1 ZINC000776181387 1037652385 /nfs/dbraw/zinc/65/23/85/1037652385.db2.gz WBMBGCRGLJBTME-INIZCTEOSA-N 1 1 308.429 3.700 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H]1CC=CCC1)[C@H]2CC ZINC001201411937 1037652711 /nfs/dbraw/zinc/65/27/11/1037652711.db2.gz UFLAHDSTXXHIQN-BJLQDIEVSA-N 1 1 316.489 3.764 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)C3(CCC3)C2)cc1 ZINC001168509040 1037712532 /nfs/dbraw/zinc/71/25/32/1037712532.db2.gz GRHDKXAJQQWSOA-MRXNPFEDSA-N 1 1 310.441 3.509 20 30 DHEDMO CC(=[NH+]Nc1cccc(C)c1)c1ccc(N2CCOCC2)cc1 ZINC000916255106 1037716785 /nfs/dbraw/zinc/71/67/85/1037716785.db2.gz AYUIHNRDPVFKEG-UHFFFAOYSA-N 1 1 309.413 3.668 20 30 DHEDMO Cc1cc(N2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)ncc1C#N ZINC001187904237 1037746583 /nfs/dbraw/zinc/74/65/83/1037746583.db2.gz NQGSFDXLKUPSAC-OAHLLOKOSA-N 1 1 323.444 3.597 20 30 DHEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490594223 1037747772 /nfs/dbraw/zinc/74/77/72/1037747772.db2.gz YCZXFHGOGXGNRD-KSSFIOAISA-N 1 1 308.429 3.579 20 30 DHEDMO CC(=NN1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000916581574 1037795164 /nfs/dbraw/zinc/79/51/64/1037795164.db2.gz INGATPDRCUHOAJ-UHFFFAOYSA-N 1 1 320.651 3.618 20 30 DHEDMO Cc1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1C#N ZINC000488135847 1037796411 /nfs/dbraw/zinc/79/64/11/1037796411.db2.gz HFTWQPBOHDXREN-UHFFFAOYSA-N 1 1 321.380 3.940 20 30 DHEDMO CCCCCCCCCCCC[N@H+]1CC[C@H](O)[C@@](C)(CO)C1 ZINC001201631062 1037801670 /nfs/dbraw/zinc/80/16/70/1037801670.db2.gz LPPVNWIGKMZSPY-RBUKOAKNSA-N 1 1 313.526 3.973 20 30 DHEDMO CC(C)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763406979 1037823126 /nfs/dbraw/zinc/82/31/26/1037823126.db2.gz JMOKMHOWYAYULS-HXUWFJFHSA-N 1 1 308.425 3.750 20 30 DHEDMO CCC[N@H+](Cc1ccccc1F)C[C@H](O)c1ccc(C#N)cc1 ZINC000763409909 1037827125 /nfs/dbraw/zinc/82/71/25/1037827125.db2.gz VGSRICMUHGODBI-IBGZPJMESA-N 1 1 312.388 3.643 20 30 DHEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763411763 1037827636 /nfs/dbraw/zinc/82/76/36/1037827636.db2.gz VCRQMBIRQUQZQW-LEWJYISDSA-N 1 1 322.452 3.853 20 30 DHEDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763412290 1037829363 /nfs/dbraw/zinc/82/93/63/1037829363.db2.gz WXDYQNZDEKOVCF-LEWJYISDSA-N 1 1 320.436 3.607 20 30 DHEDMO CCCCCCCC[N@@H+]1Cc2nnn(CC)c2[C@H](COCC)C1 ZINC001201814590 1037900560 /nfs/dbraw/zinc/90/05/60/1037900560.db2.gz QGNNBPZPANVWCC-INIZCTEOSA-N 1 1 322.497 3.594 20 30 DHEDMO C=CCOCc1nn(C)c2c1C[N@@H+](CCCCCCCC)CC2 ZINC001201815087 1037902432 /nfs/dbraw/zinc/90/24/32/1037902432.db2.gz WCKDUYZTKHXSQL-UHFFFAOYSA-N 1 1 319.493 3.841 20 30 DHEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(COc2ccccc2)CC1 ZINC000491060925 1037904931 /nfs/dbraw/zinc/90/49/31/1037904931.db2.gz LPZZSFJAETXCIH-UHFFFAOYSA-N 1 1 324.399 3.988 20 30 DHEDMO CCCCCCCCC[N@H+]1CCCN(c2ncccn2)CC1 ZINC001201846311 1037921358 /nfs/dbraw/zinc/92/13/58/1037921358.db2.gz HPVWQUHHFBNTNW-UHFFFAOYSA-N 1 1 304.482 3.739 20 30 DHEDMO CCCCCCCCC[N@@H+]1Cc2nnn(C)c2[C@H](COCC)C1 ZINC001201846854 1037921580 /nfs/dbraw/zinc/92/15/80/1037921580.db2.gz NXFDLTPGXAHHJV-INIZCTEOSA-N 1 1 322.497 3.501 20 30 DHEDMO CCCCCCCCCCN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001201875063 1037924204 /nfs/dbraw/zinc/92/42/04/1037924204.db2.gz OLGJPVJYEYOFET-LJQANCHMSA-N 1 1 310.526 3.924 20 30 DHEDMO C#C[C@@H](C)[N@H+](C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000775180221 1037939877 /nfs/dbraw/zinc/93/98/77/1037939877.db2.gz WGTRQPKHXUSJFV-CYBMUJFWSA-N 1 1 315.848 3.655 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000775180221 1037939890 /nfs/dbraw/zinc/93/98/90/1037939890.db2.gz WGTRQPKHXUSJFV-CYBMUJFWSA-N 1 1 315.848 3.655 20 30 DHEDMO Cc1[nH+]ccn1CCCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000078333643 1037969893 /nfs/dbraw/zinc/96/98/93/1037969893.db2.gz VVWSWEROXXAEGD-UHFFFAOYSA-N 1 1 308.307 3.584 20 30 DHEDMO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1c(F)cncc1F ZINC000586795672 1037977614 /nfs/dbraw/zinc/97/76/14/1037977614.db2.gz DASAHDONXUMGKB-PIGZYNQJSA-N 1 1 313.351 3.960 20 30 DHEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc2ccccc21 ZINC001188954826 1038023060 /nfs/dbraw/zinc/02/30/60/1038023060.db2.gz HDKZOGUSPTYPEB-INIZCTEOSA-N 1 1 309.413 3.612 20 30 DHEDMO COc1ccc(C[N@@H+](C)CCCCC2(C#N)CCC2)cc1O ZINC000929821245 1038057169 /nfs/dbraw/zinc/05/71/69/1038057169.db2.gz QMJTYHRRKJLPTE-UHFFFAOYSA-N 1 1 302.418 3.697 20 30 DHEDMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000127012791 1038142146 /nfs/dbraw/zinc/14/21/46/1038142146.db2.gz MMXIERZERVIXDQ-OAHLLOKOSA-N 1 1 323.481 3.648 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000127295311 1038167082 /nfs/dbraw/zinc/16/70/82/1038167082.db2.gz UXISPHMCAHXNIL-UHFFFAOYSA-N 1 1 322.408 3.764 20 30 DHEDMO C=CCCC(=O)N(CCC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000588041655 1038214354 /nfs/dbraw/zinc/21/43/54/1038214354.db2.gz BAQBIWQWDOGNQF-LJQANCHMSA-N 1 1 314.473 3.856 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000917117793 1038218159 /nfs/dbraw/zinc/21/81/59/1038218159.db2.gz PTVLLFDVCCFSLI-IBGZPJMESA-N 1 1 306.365 3.718 20 30 DHEDMO C#CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000917117793 1038218166 /nfs/dbraw/zinc/21/81/66/1038218166.db2.gz PTVLLFDVCCFSLI-IBGZPJMESA-N 1 1 306.365 3.718 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCc2ccccc21 ZINC000917116954 1038218234 /nfs/dbraw/zinc/21/82/34/1038218234.db2.gz AORVZKHUWUNOMT-FQEVSTJZSA-N 1 1 304.368 3.820 20 30 DHEDMO C#CC[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCc2ccccc21 ZINC000917116954 1038218247 /nfs/dbraw/zinc/21/82/47/1038218247.db2.gz AORVZKHUWUNOMT-FQEVSTJZSA-N 1 1 304.368 3.820 20 30 DHEDMO C#C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCO1 ZINC000775343748 1038255145 /nfs/dbraw/zinc/25/51/45/1038255145.db2.gz XWZNXJDXWFIDNI-KBPBESRZSA-N 1 1 317.738 3.629 20 30 DHEDMO C=C(C)Cc1ccc(C(=O)Nc2ccnn2-c2cc[nH+]cc2)cc1 ZINC001190217273 1038281025 /nfs/dbraw/zinc/28/10/25/1038281025.db2.gz QBOFYTQDRSOMBX-UHFFFAOYSA-N 1 1 318.380 3.638 20 30 DHEDMO CCC#C[C@H](C)[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001190466509 1038327780 /nfs/dbraw/zinc/32/77/80/1038327780.db2.gz YZFKNSJCNVPDJX-GARJFASQSA-N 1 1 301.274 3.851 20 30 DHEDMO CCC#C[C@H](C)[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC001190466509 1038327790 /nfs/dbraw/zinc/32/77/90/1038327790.db2.gz YZFKNSJCNVPDJX-GARJFASQSA-N 1 1 301.274 3.851 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)nc1 ZINC000572301100 1038355696 /nfs/dbraw/zinc/35/56/96/1038355696.db2.gz XHHNHHCTGQEFHV-VAMGGRTRSA-N 1 1 303.409 3.721 20 30 DHEDMO C#CC[N@H+](CCC(=O)Nc1ccc(C)c(F)c1)C1CCCCC1 ZINC001190708115 1038366415 /nfs/dbraw/zinc/36/64/15/1038366415.db2.gz QKCJLVRIAOFJHR-UHFFFAOYSA-N 1 1 316.420 3.731 20 30 DHEDMO C[C@@H]([NH2+]Cc1cn(C)cn1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000588927217 1038406489 /nfs/dbraw/zinc/40/64/89/1038406489.db2.gz VZFDDBMCXMIUBJ-OAHLLOKOSA-N 1 1 316.408 3.810 20 30 DHEDMO CCCCCCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001191082050 1038434311 /nfs/dbraw/zinc/43/43/11/1038434311.db2.gz QRCUNENOLOKHGI-GOSISDBHSA-N 1 1 317.477 3.531 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1 ZINC001191077878 1038434366 /nfs/dbraw/zinc/43/43/66/1038434366.db2.gz OFTCKXKLEWNBOE-HHXXYDBFSA-N 1 1 310.441 3.650 20 30 DHEDMO CC(C)C[C@H]1CCCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001191113432 1038441522 /nfs/dbraw/zinc/44/15/22/1038441522.db2.gz WLYVRMYYWLVPGR-GOSISDBHSA-N 1 1 313.445 3.787 20 30 DHEDMO C=C(C)C[NH+]1CCN([C@H](C)c2nc3ccccc3s2)CC1 ZINC000589256549 1038452398 /nfs/dbraw/zinc/45/23/98/1038452398.db2.gz LKBZRXGWRGNXAU-CQSZACIVSA-N 1 1 301.459 3.551 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000589272787 1038456367 /nfs/dbraw/zinc/45/63/67/1038456367.db2.gz WREADEGWAYTRJJ-MSOLQXFVSA-N 1 1 312.457 3.877 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)n1 ZINC000589495772 1038486554 /nfs/dbraw/zinc/48/65/54/1038486554.db2.gz LIEFLFLMLRDACE-CQSZACIVSA-N 1 1 322.437 3.876 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)n1 ZINC000589495772 1038486561 /nfs/dbraw/zinc/48/65/61/1038486561.db2.gz LIEFLFLMLRDACE-CQSZACIVSA-N 1 1 322.437 3.876 20 30 DHEDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000589510933 1038495636 /nfs/dbraw/zinc/49/56/36/1038495636.db2.gz WXYFWMQFCZNJRE-CQSZACIVSA-N 1 1 312.335 3.578 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000499057209 1038539750 /nfs/dbraw/zinc/53/97/50/1038539750.db2.gz SUCPOBHSSMUXCI-OAHLLOKOSA-N 1 1 320.502 3.916 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000499057209 1038539754 /nfs/dbraw/zinc/53/97/54/1038539754.db2.gz SUCPOBHSSMUXCI-OAHLLOKOSA-N 1 1 320.502 3.916 20 30 DHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC2(C#N)CC2)c1 ZINC000590159943 1038595110 /nfs/dbraw/zinc/59/51/10/1038595110.db2.gz QZWQELOQKQFTKE-UHFFFAOYSA-N 1 1 322.412 3.687 20 30 DHEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C[C@H]1C ZINC001192261825 1038616476 /nfs/dbraw/zinc/61/64/76/1038616476.db2.gz JQCHYFNMOCMYFF-NWDGAFQWSA-N 1 1 307.235 3.799 20 30 DHEDMO C=C(C)CC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC001192371114 1038641346 /nfs/dbraw/zinc/64/13/46/1038641346.db2.gz XFPPDMYQNIJCBG-XLIONFOSSA-N 1 1 315.505 3.889 20 30 DHEDMO C=CCCCC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001192471898 1038657884 /nfs/dbraw/zinc/65/78/84/1038657884.db2.gz RSHSOGRSIGWPIP-ULQDDVLXSA-N 1 1 322.493 3.968 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCSC[C@@H]2C2CC2)cc1 ZINC000590758726 1038699984 /nfs/dbraw/zinc/69/99/84/1038699984.db2.gz CIJQKHRPEOGALX-QGZVFWFLSA-N 1 1 300.471 3.815 20 30 DHEDMO C#CCCCCCC[N@@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC001192823010 1038704443 /nfs/dbraw/zinc/70/44/43/1038704443.db2.gz BWNLDRFIBCEPMH-SJORKVTESA-N 1 1 322.493 3.900 20 30 DHEDMO C#CCCCCCC[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001192823007 1038704769 /nfs/dbraw/zinc/70/47/69/1038704769.db2.gz BWNLDRFIBCEPMH-DLBZAZTESA-N 1 1 322.493 3.900 20 30 DHEDMO COc1c(C)cnc(C[NH2+][C@@H](CCC#N)c2ccccc2)c1C ZINC000775552582 1038713501 /nfs/dbraw/zinc/71/35/01/1038713501.db2.gz IMNKZSRKIXFKSR-KRWDZBQOSA-N 1 1 309.413 3.842 20 30 DHEDMO COc1c(C)cnc(C[NH2+][C@H](CCC#N)c2ccccc2)c1C ZINC000775552583 1038714651 /nfs/dbraw/zinc/71/46/51/1038714651.db2.gz IMNKZSRKIXFKSR-QGZVFWFLSA-N 1 1 309.413 3.842 20 30 DHEDMO N#Cc1ccc(C[NH+]2CC(Cc3ccc(C(F)(F)F)cc3)C2)o1 ZINC000590967523 1038733348 /nfs/dbraw/zinc/73/33/48/1038733348.db2.gz TUSHPNTYRSWVAR-UHFFFAOYSA-N 1 1 320.314 3.845 20 30 DHEDMO Cc1cc2oc(=O)cc(C[NH+]3CCC(C#N)CC3)c2cc1C(C)C ZINC000057907444 1038765782 /nfs/dbraw/zinc/76/57/82/1038765782.db2.gz YQPGRLWFKHTBSR-UHFFFAOYSA-N 1 1 324.424 3.960 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000760822588 1038817022 /nfs/dbraw/zinc/81/70/22/1038817022.db2.gz BQVYULPFPRKPQO-HNNXBMFYSA-N 1 1 301.352 3.854 20 30 DHEDMO C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(C#N)c(Cl)c1 ZINC000591573306 1038936420 /nfs/dbraw/zinc/93/64/20/1038936420.db2.gz IIOIBBDXODAKGB-CZUORRHYSA-N 1 1 305.853 3.612 20 30 DHEDMO C#CCC[N@H+]1CCC[C@@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000760884691 1038960750 /nfs/dbraw/zinc/96/07/50/1038960750.db2.gz DEQXTLBOKRDLLJ-INIZCTEOSA-N 1 1 315.461 3.785 20 30 DHEDMO C[N@@H+]1CCCC[C@H](CN[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000599071870 1039028017 /nfs/dbraw/zinc/02/80/17/1039028017.db2.gz UZCDRHCYSZNURH-XLIONFOSSA-N 1 1 311.473 3.647 20 30 DHEDMO C[N@H+]1CCCC[C@H](CN[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000599071870 1039028037 /nfs/dbraw/zinc/02/80/37/1039028037.db2.gz UZCDRHCYSZNURH-XLIONFOSSA-N 1 1 311.473 3.647 20 30 DHEDMO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2ccncc2C#N)CC1 ZINC000592121153 1039122656 /nfs/dbraw/zinc/12/26/56/1039122656.db2.gz FWUUEHQPXXQDGS-FQEVSTJZSA-N 1 1 305.425 3.897 20 30 DHEDMO Cc1cc(F)ccc1C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592122232 1039123765 /nfs/dbraw/zinc/12/37/65/1039123765.db2.gz JIHNDZRIMRMPRD-UHFFFAOYSA-N 1 1 309.388 3.780 20 30 DHEDMO N#Cc1cnccc1C[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000592126284 1039123873 /nfs/dbraw/zinc/12/38/73/1039123873.db2.gz LWBVFTLEXFQTCR-KRWDZBQOSA-N 1 1 315.779 3.987 20 30 DHEDMO Cc1ccc(C[N@H+](Cc2ccccc2)[C@@H](C)CCO)cc1C#N ZINC000599344936 1039124899 /nfs/dbraw/zinc/12/48/99/1039124899.db2.gz KQIAHYQTCGGEOX-KRWDZBQOSA-N 1 1 308.425 3.640 20 30 DHEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc(Cl)c1F ZINC000783300501 1039159102 /nfs/dbraw/zinc/15/91/02/1039159102.db2.gz NUAHZLFZRWKVTC-OAHLLOKOSA-N 1 1 303.768 3.987 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)CC1 ZINC000599437043 1039160891 /nfs/dbraw/zinc/16/08/91/1039160891.db2.gz LXBNOILUACOOBV-QZTJIDSGSA-N 1 1 310.441 3.658 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)ccn1 ZINC000592189037 1039169758 /nfs/dbraw/zinc/16/97/58/1039169758.db2.gz XDJNUPMXRVEZHV-LJQANCHMSA-N 1 1 301.393 3.847 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)ccn1 ZINC000592189037 1039169766 /nfs/dbraw/zinc/16/97/66/1039169766.db2.gz XDJNUPMXRVEZHV-LJQANCHMSA-N 1 1 301.393 3.847 20 30 DHEDMO C[C@H]1CC2(C[N@H+]1Cc1ccc(Cl)cc1C#N)CCOCC2 ZINC000592185348 1039172287 /nfs/dbraw/zinc/17/22/87/1039172287.db2.gz XWHPOXUYXSGRJI-ZDUSSCGKSA-N 1 1 304.821 3.603 20 30 DHEDMO CC(C)(C)c1ncc2c(n1)CC[N@H+](CCCCC(C)(C)C#N)C2 ZINC000599526199 1039195319 /nfs/dbraw/zinc/19/53/19/1039195319.db2.gz HFNNHURPOCHBGG-UHFFFAOYSA-N 1 1 314.477 3.852 20 30 DHEDMO CC1(C)CCC(C)(C)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000599537669 1039206773 /nfs/dbraw/zinc/20/67/73/1039206773.db2.gz IMPQVHRSNNNWRY-UHFFFAOYSA-N 1 1 313.445 3.787 20 30 DHEDMO COCC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000603894749 1039215800 /nfs/dbraw/zinc/21/58/00/1039215800.db2.gz DOBDYZMNSIBFFA-UHFFFAOYSA-N 1 1 314.816 3.860 20 30 DHEDMO Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592525569 1039225345 /nfs/dbraw/zinc/22/53/45/1039225345.db2.gz RJHNOYMVCFUDLT-HXUWFJFHSA-N 1 1 306.409 3.513 20 30 DHEDMO CCCC[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCc2ncsc2C1 ZINC000592530543 1039226475 /nfs/dbraw/zinc/22/64/75/1039226475.db2.gz YRJDRNVQXWAJTL-ZDUSSCGKSA-N 1 1 315.442 3.767 20 30 DHEDMO COC(=O)[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000599646230 1039247337 /nfs/dbraw/zinc/24/73/37/1039247337.db2.gz HGIIKHITYPFBIL-BRWVUGGUSA-N 1 1 318.461 3.514 20 30 DHEDMO C/C=C/C[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000599690991 1039261517 /nfs/dbraw/zinc/26/15/17/1039261517.db2.gz PZCOJWSLLJFAOD-HSWBROFVSA-N 1 1 317.458 3.627 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679830 1039265784 /nfs/dbraw/zinc/26/57/84/1039265784.db2.gz YBVJPFFCBPSXJR-OAHLLOKOSA-N 1 1 301.393 3.744 20 30 DHEDMO C[C@H]([NH2+][C@@H](CCO)c1ccccc1F)c1ccc(C#N)c(F)c1 ZINC000592404534 1039448899 /nfs/dbraw/zinc/44/88/99/1039448899.db2.gz ZIRMEFHPTHMRET-SGTLLEGYSA-N 1 1 316.351 3.611 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000604392923 1039461981 /nfs/dbraw/zinc/46/19/81/1039461981.db2.gz LHAHXRLEDOXRIP-AOIWGVFYSA-N 1 1 314.473 3.678 20 30 DHEDMO CCOc1cc(C[NH2+]CC2(C#N)CCCC2)ccc1OC(F)F ZINC000593650543 1039575201 /nfs/dbraw/zinc/57/52/01/1039575201.db2.gz UJNXMARQZXPARG-UHFFFAOYSA-N 1 1 324.371 3.860 20 30 DHEDMO N#CC1(C[NH2+]Cc2ccccc2OCc2ccncc2)CCCC1 ZINC000593650729 1039575632 /nfs/dbraw/zinc/57/56/32/1039575632.db2.gz YXWFZNWLDGSIBG-UHFFFAOYSA-N 1 1 321.424 3.834 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2F)nc1 ZINC000594014773 1039663723 /nfs/dbraw/zinc/66/37/23/1039663723.db2.gz KDNQMNLXGINVIG-SFHVURJKSA-N 1 1 309.388 3.690 20 30 DHEDMO C[C@@H](CNc1cccc(F)c1C#N)[N@H+]1CCc2sccc2C1 ZINC000046479128 1039681303 /nfs/dbraw/zinc/68/13/03/1039681303.db2.gz CGZQAQBJJBIACW-LBPRGKRZSA-N 1 1 315.417 3.618 20 30 DHEDMO Cc1ccc(-c2noc(C[NH+]3CCC(CCC#N)CC3)n2)cc1 ZINC000574449690 1039686887 /nfs/dbraw/zinc/68/68/87/1039686887.db2.gz LUYUTOFUWWFTEB-UHFFFAOYSA-N 1 1 310.401 3.561 20 30 DHEDMO C=CCCC[N@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000605737727 1039746947 /nfs/dbraw/zinc/74/69/47/1039746947.db2.gz TUXPUNMTWILPSY-UHFFFAOYSA-N 1 1 300.324 3.542 20 30 DHEDMO C[C@H](CNCc1ccc(C(C)(C)C#N)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000594496028 1039797611 /nfs/dbraw/zinc/79/76/11/1039797611.db2.gz XSGHNDRHBGPFMA-DLBZAZTESA-N 1 1 313.489 3.840 20 30 DHEDMO C[C@H](CNCc1ccc(C(C)(C)C#N)cc1)[N@H+]1CCCC[C@@H]1C ZINC000594496028 1039797628 /nfs/dbraw/zinc/79/76/28/1039797628.db2.gz XSGHNDRHBGPFMA-DLBZAZTESA-N 1 1 313.489 3.840 20 30 DHEDMO N#Cc1c(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cccc1C(F)F ZINC000594601985 1039847378 /nfs/dbraw/zinc/84/73/78/1039847378.db2.gz QFALNSXYGYSZPI-HZPDHXFCSA-N 1 1 305.372 3.925 20 30 DHEDMO N#CC1(c2ccc(C[NH2+]Cc3nc(C4CC4)cs3)cc2)CC1 ZINC000594931600 1039919711 /nfs/dbraw/zinc/91/97/11/1039919711.db2.gz PPSMEYUYZOFGIZ-UHFFFAOYSA-N 1 1 309.438 3.865 20 30 DHEDMO CCCC[NH+]1CCC(NCc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594918696 1039926451 /nfs/dbraw/zinc/92/64/51/1039926451.db2.gz RNKAMPHBHYOBBS-UHFFFAOYSA-N 1 1 311.473 3.596 20 30 DHEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000059374632 1039957571 /nfs/dbraw/zinc/95/75/71/1039957571.db2.gz UPUIZXMNTFSUOG-LJQANCHMSA-N 1 1 310.372 3.913 20 30 DHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](CCC(C)C)C1CC1 ZINC000172607342 1039961755 /nfs/dbraw/zinc/96/17/55/1039961755.db2.gz BJJCUZWKJKHMEM-UHFFFAOYSA-N 1 1 323.444 3.593 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1c(F)cncc1F ZINC000594953924 1039962218 /nfs/dbraw/zinc/96/22/18/1039962218.db2.gz JVUIYFWEIUUIMX-LBPRGKRZSA-N 1 1 313.351 3.766 20 30 DHEDMO Cc1ccc(-c2nn(C)cc2C[NH2+]CC2(C#N)CCCCC2)o1 ZINC000594981407 1039995788 /nfs/dbraw/zinc/99/57/88/1039995788.db2.gz OMEDPALFNHSVEU-UHFFFAOYSA-N 1 1 312.417 3.552 20 30 DHEDMO N#CC1(C[NH2+]Cc2cnc(-c3ccco3)s2)CCCCC1 ZINC000594981137 1039996713 /nfs/dbraw/zinc/99/67/13/1039996713.db2.gz HQABIQGWCGDWDX-UHFFFAOYSA-N 1 1 301.415 3.967 20 30 DHEDMO N#CC1(C[NH2+]Cc2cnc(-c3ccccc3)nc2)CCCCC1 ZINC000594996268 1040011397 /nfs/dbraw/zinc/01/13/97/1040011397.db2.gz XVPZCWNVOWPTJJ-UHFFFAOYSA-N 1 1 306.413 3.707 20 30 DHEDMO COc1cc(C[NH2+]CC2(C#N)CCCCC2)ccc1OC(F)F ZINC000594995441 1040012249 /nfs/dbraw/zinc/01/22/49/1040012249.db2.gz QIGXDCXVMFWJRR-UHFFFAOYSA-N 1 1 324.371 3.860 20 30 DHEDMO COc1cc2c(cc1F)CC[C@H]2[NH2+]CC1(C#N)CCCCC1 ZINC000595090661 1040074486 /nfs/dbraw/zinc/07/44/86/1040074486.db2.gz KKFBMDNRHZFZSW-MRXNPFEDSA-N 1 1 302.393 3.885 20 30 DHEDMO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)C1 ZINC000595095610 1040078375 /nfs/dbraw/zinc/07/83/75/1040078375.db2.gz RMVWVCBDIWFMDK-HSALFYBXSA-N 1 1 323.484 3.571 20 30 DHEDMO CC[C@H](CC(F)F)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000595296773 1040089546 /nfs/dbraw/zinc/08/95/46/1040089546.db2.gz JQLPKTNEUQFEIF-CQSZACIVSA-N 1 1 310.388 3.688 20 30 DHEDMO N#Cc1ccc(C[N@@H+](CCOCc2ccccc2)C2CC2)cc1 ZINC000595297556 1040094010 /nfs/dbraw/zinc/09/40/10/1040094010.db2.gz WDWICDMQNVGSPO-UHFFFAOYSA-N 1 1 306.409 3.739 20 30 DHEDMO N#Cc1ccc(CC[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000595285882 1040094783 /nfs/dbraw/zinc/09/47/83/1040094783.db2.gz AXPBQPXBTKFWLQ-UHFFFAOYSA-N 1 1 304.393 3.596 20 30 DHEDMO COc1cccc(SCC[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000595288278 1040100811 /nfs/dbraw/zinc/10/08/11/1040100811.db2.gz MYKQEPODENUKFJ-UHFFFAOYSA-N 1 1 312.438 3.791 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](CCc3ccc(C#N)cc3)C2)cc1 ZINC000595303359 1040105750 /nfs/dbraw/zinc/10/57/50/1040105750.db2.gz JPLLKFOLGBFSJV-LJQANCHMSA-N 1 1 306.409 3.599 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@@H+]2C[C@H](C)CCC[C@H]2C)c1=S ZINC000172918729 1040117792 /nfs/dbraw/zinc/11/77/92/1040117792.db2.gz OWNPLATWOPOCKW-ZIAGYGMSSA-N 1 1 320.506 3.945 20 30 DHEDMO C=CCn1c(C2CC2)nn(C[N@H+]2C[C@H](C)CCC[C@H]2C)c1=S ZINC000172918729 1040117799 /nfs/dbraw/zinc/11/77/99/1040117799.db2.gz OWNPLATWOPOCKW-ZIAGYGMSSA-N 1 1 320.506 3.945 20 30 DHEDMO CC(C)n1cc(C2=CCC[N@@H+](CCCC(C)(C)C#N)CC2)nn1 ZINC000595516936 1040159626 /nfs/dbraw/zinc/15/96/26/1040159626.db2.gz QQCXUMWRJDYORY-UHFFFAOYSA-N 1 1 315.465 3.668 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000595616637 1040191912 /nfs/dbraw/zinc/19/19/12/1040191912.db2.gz VGSGFBPXEIJIEQ-CYBMUJFWSA-N 1 1 312.335 3.710 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000595616749 1040193097 /nfs/dbraw/zinc/19/30/97/1040193097.db2.gz XFHSMVIDEZNTTB-QGZVFWFLSA-N 1 1 321.424 3.786 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000595615046 1040208899 /nfs/dbraw/zinc/20/88/99/1040208899.db2.gz OLQJYFXHRCJORH-GFCCVEGCSA-N 1 1 313.228 3.998 20 30 DHEDMO Cn1c[nH+]cc1NC1=C(c2ccccc2)C(=O)c2ccccc21 ZINC001168407991 1040219903 /nfs/dbraw/zinc/21/99/03/1040219903.db2.gz PAUOELMKXPMQJU-UHFFFAOYSA-N 1 1 301.349 3.597 20 30 DHEDMO Cc1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccco2)ccc1C#N ZINC000595718241 1040228743 /nfs/dbraw/zinc/22/87/43/1040228743.db2.gz SJWHLWTXYBZTKN-LJQANCHMSA-N 1 1 322.408 3.813 20 30 DHEDMO Cc1cc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccco2)ccc1C#N ZINC000595718241 1040228761 /nfs/dbraw/zinc/22/87/61/1040228761.db2.gz SJWHLWTXYBZTKN-LJQANCHMSA-N 1 1 322.408 3.813 20 30 DHEDMO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1CCCSCC#N ZINC000595759761 1040231120 /nfs/dbraw/zinc/23/11/20/1040231120.db2.gz NPRQMZMWFOSJFA-MRXNPFEDSA-N 1 1 322.449 3.624 20 30 DHEDMO CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1CCCSCC#N ZINC000595759761 1040231132 /nfs/dbraw/zinc/23/11/32/1040231132.db2.gz NPRQMZMWFOSJFA-MRXNPFEDSA-N 1 1 322.449 3.624 20 30 DHEDMO C[C@]12COC[C@H]1C[N@@H+](Cc1ccc(-c3ccccc3C#N)cc1)C2 ZINC000595761535 1040232324 /nfs/dbraw/zinc/23/23/24/1040232324.db2.gz XRNHVRANWQHSKT-CTNGQTDRSA-N 1 1 318.420 3.694 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000595844137 1040262424 /nfs/dbraw/zinc/26/24/24/1040262424.db2.gz ALYBAQVHMUIWDO-QRQLOZEOSA-N 1 1 323.440 3.505 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000595845538 1040263161 /nfs/dbraw/zinc/26/31/61/1040263161.db2.gz PVQNUWRSNUORQO-GASCZTMLSA-N 1 1 302.374 3.677 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H]3COC[C@H]3C2)cc1 ZINC000595829418 1040264895 /nfs/dbraw/zinc/26/48/95/1040264895.db2.gz HRLARNOFPQCXBF-VQTJNVASSA-N 1 1 318.420 3.694 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](C4CCC4)C3)o2)cc1 ZINC000595830938 1040266304 /nfs/dbraw/zinc/26/63/04/1040266304.db2.gz CFKZASWQZGHFSS-QGZVFWFLSA-N 1 1 322.412 3.620 20 30 DHEDMO CC[N@@H+](CCOc1ccccc1OC)CCc1ccc(C#N)cc1 ZINC000595889405 1040270256 /nfs/dbraw/zinc/27/02/56/1040270256.db2.gz ZTYUGIHIMDYBDU-UHFFFAOYSA-N 1 1 324.424 3.510 20 30 DHEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000595870688 1040278607 /nfs/dbraw/zinc/27/86/07/1040278607.db2.gz JJYCHTBKMKUBJY-HNNXBMFYSA-N 1 1 317.458 3.603 20 30 DHEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000595870688 1040278617 /nfs/dbraw/zinc/27/86/17/1040278617.db2.gz JJYCHTBKMKUBJY-HNNXBMFYSA-N 1 1 317.458 3.603 20 30 DHEDMO CC[C@@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596094356 1040305482 /nfs/dbraw/zinc/30/54/82/1040305482.db2.gz LCNBEHRMFCGDPZ-AZUAARDMSA-N 1 1 311.473 3.721 20 30 DHEDMO CC[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596094356 1040305511 /nfs/dbraw/zinc/30/55/11/1040305511.db2.gz LCNBEHRMFCGDPZ-AZUAARDMSA-N 1 1 311.473 3.721 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000173539320 1040318983 /nfs/dbraw/zinc/31/89/83/1040318983.db2.gz DUOGXKYRHZIKRH-MRXNPFEDSA-N 1 1 323.481 3.505 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H]3c3ccccn3)cc2)CC1 ZINC000596981214 1040614474 /nfs/dbraw/zinc/61/44/74/1040614474.db2.gz KNQMMUHATHQROZ-LJQANCHMSA-N 1 1 303.409 3.974 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCCC[C@H]3c3ncc[nH]3)cc2)CC1 ZINC000596993880 1040626727 /nfs/dbraw/zinc/62/67/27/1040626727.db2.gz XFDOHTHODZVKCV-KRWDZBQOSA-N 1 1 306.413 3.692 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCCC[C@H]3c3ncc[nH]3)cc2)CC1 ZINC000596993880 1040626735 /nfs/dbraw/zinc/62/67/35/1040626735.db2.gz XFDOHTHODZVKCV-KRWDZBQOSA-N 1 1 306.413 3.692 20 30 DHEDMO COC[C@H](C)Oc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000596996311 1040628037 /nfs/dbraw/zinc/62/80/37/1040628037.db2.gz RKWZLUNTWYOOQF-INIZCTEOSA-N 1 1 318.461 3.862 20 30 DHEDMO COC[C@H](C)Oc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000596996311 1040628041 /nfs/dbraw/zinc/62/80/41/1040628041.db2.gz RKWZLUNTWYOOQF-INIZCTEOSA-N 1 1 318.461 3.862 20 30 DHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C#N)CC(C)C)cc1 ZINC000608823421 1040629499 /nfs/dbraw/zinc/62/94/99/1040629499.db2.gz DYVSBTJCLMEHKS-SFHVURJKSA-N 1 1 315.461 3.587 20 30 DHEDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597030649 1040631006 /nfs/dbraw/zinc/63/10/06/1040631006.db2.gz SXQQOMJGYPRYPJ-QGZVFWFLSA-N 1 1 300.471 3.959 20 30 DHEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597026492 1040631358 /nfs/dbraw/zinc/63/13/58/1040631358.db2.gz IXMMKCBCKKNGSJ-LJQANCHMSA-N 1 1 320.440 3.621 20 30 DHEDMO N#CC1(C[NH2+]Cc2cc3cc(Br)ccc3o2)CCC1 ZINC000597153041 1040667363 /nfs/dbraw/zinc/66/73/63/1040667363.db2.gz GSFIHUHNKJXPCU-UHFFFAOYSA-N 1 1 319.202 3.979 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000060478026 1040673030 /nfs/dbraw/zinc/67/30/30/1040673030.db2.gz PEBQJNLTAWYVJX-IBGZPJMESA-N 1 1 324.399 3.783 20 30 DHEDMO Cc1ccccc1OCCC[N@H+](C)CCOc1ccccc1C#N ZINC000060479307 1040673614 /nfs/dbraw/zinc/67/36/14/1040673614.db2.gz HSFJORLRTPAJPA-UHFFFAOYSA-N 1 1 324.424 3.646 20 30 DHEDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1OC ZINC000597173576 1040675760 /nfs/dbraw/zinc/67/57/60/1040675760.db2.gz KGZNKFINWHMFCQ-HNNXBMFYSA-N 1 1 302.418 3.610 20 30 DHEDMO COc1ccc(C[C@H](C)C[N@H+]2CCC[C@@H](CC#N)C2)cc1F ZINC000597177609 1040678362 /nfs/dbraw/zinc/67/83/62/1040678362.db2.gz QGLVVTCQPQDVSR-GJZGRUSLSA-N 1 1 304.409 3.639 20 30 DHEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000597209474 1040682872 /nfs/dbraw/zinc/68/28/72/1040682872.db2.gz CGYPVTIHQSLLFS-MRXNPFEDSA-N 1 1 304.409 3.941 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CC[C@@H](C4CCCCC4)C3)n2c1 ZINC000597203101 1040692866 /nfs/dbraw/zinc/69/28/66/1040692866.db2.gz MUJQOTPFXXDQPS-QGZVFWFLSA-N 1 1 308.429 3.608 20 30 DHEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000597230171 1040695147 /nfs/dbraw/zinc/69/51/47/1040695147.db2.gz QHMROIMFVAMUJN-FQEVSTJZSA-N 1 1 316.408 3.761 20 30 DHEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000597230171 1040695150 /nfs/dbraw/zinc/69/51/50/1040695150.db2.gz QHMROIMFVAMUJN-FQEVSTJZSA-N 1 1 316.408 3.761 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(Br)o1)c1cccc(C#N)c1 ZINC000188742223 1040740900 /nfs/dbraw/zinc/74/09/00/1040740900.db2.gz HIMDPYLBTXNPGK-SNVBAGLBSA-N 1 1 305.175 3.765 20 30 DHEDMO C=CCOc1ccccc1CN1CCC[N@H+](C(C)(C)C)CC1 ZINC000534348530 1040817360 /nfs/dbraw/zinc/81/73/60/1040817360.db2.gz XBGKFRCMISLSAG-UHFFFAOYSA-N 1 1 302.462 3.558 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]2CCCC[C@H]12 ZINC000534337161 1040819549 /nfs/dbraw/zinc/81/95/49/1040819549.db2.gz UUMSWTIIWBZAQX-ZTFGCOKTSA-N 1 1 308.429 3.607 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc(Cl)cc1 ZINC000491230780 1040992611 /nfs/dbraw/zinc/99/26/11/1040992611.db2.gz OWZTVTMTUIUYHR-QGZVFWFLSA-N 1 1 310.784 3.684 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)n1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000602452358 1041029108 /nfs/dbraw/zinc/02/91/08/1041029108.db2.gz HWAHZFBARBIBDS-XLIONFOSSA-N 1 1 321.424 3.553 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H](C)CCC#N)cc1OC ZINC000602436500 1041031889 /nfs/dbraw/zinc/03/18/89/1041031889.db2.gz OWHVYQQSAWZDMI-HOCLYGCPSA-N 1 1 302.418 3.781 20 30 DHEDMO Cc1ncc([C@@H](C)[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)n1 ZINC000602440185 1041032485 /nfs/dbraw/zinc/03/24/85/1041032485.db2.gz JWZBFSJXKSHHJN-CQSZACIVSA-N 1 1 306.413 3.691 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000602433437 1041033710 /nfs/dbraw/zinc/03/37/10/1041033710.db2.gz LESLRTHMMIZETE-CQSZACIVSA-N 1 1 319.424 3.805 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)n1 ZINC000602444339 1041036173 /nfs/dbraw/zinc/03/61/73/1041036173.db2.gz GZOOPFQARWEOIN-INIZCTEOSA-N 1 1 316.408 3.814 20 30 DHEDMO CC[N@@H+](Cc1c2c(nn1C)CCCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000602443146 1041037450 /nfs/dbraw/zinc/03/74/50/1041037450.db2.gz GIONURBMFPUZJD-OAHLLOKOSA-N 1 1 322.456 3.754 20 30 DHEDMO COc1ccc(C[C@H]2CCC[N@@H+](C[C@H](C)CCC#N)C2)cc1 ZINC000602470189 1041047622 /nfs/dbraw/zinc/04/76/22/1041047622.db2.gz XZPUDNYHMQLMCY-SJLPKXTDSA-N 1 1 300.446 3.890 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccccc1C#N ZINC000442687764 1041063734 /nfs/dbraw/zinc/06/37/34/1041063734.db2.gz YQWNLSGGUCWNRF-OAHLLOKOSA-N 1 1 305.381 3.502 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000602611524 1041123979 /nfs/dbraw/zinc/12/39/79/1041123979.db2.gz FDRSMESYKALWDB-FHLIZLRMSA-N 1 1 304.409 3.917 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602683480 1041161769 /nfs/dbraw/zinc/16/17/69/1041161769.db2.gz BWKRFHPBGCQKPI-GDBMZVCRSA-N 1 1 301.390 3.714 20 30 DHEDMO N#CCC1(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000602786949 1041209058 /nfs/dbraw/zinc/20/90/58/1041209058.db2.gz MZPKWHUBPBAVGD-UXHICEINSA-N 1 1 323.484 3.667 20 30 DHEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccccc1SC(F)F ZINC000060935126 1041312532 /nfs/dbraw/zinc/31/25/32/1041312532.db2.gz ZRHZQEVQGSBVRM-UHFFFAOYSA-N 1 1 314.401 3.838 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccccc1SC(F)F ZINC000060935126 1041312549 /nfs/dbraw/zinc/31/25/49/1041312549.db2.gz ZRHZQEVQGSBVRM-UHFFFAOYSA-N 1 1 314.401 3.838 20 30 DHEDMO C[N@H+](Cc1ccc(OCc2cccnc2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602977716 1041330165 /nfs/dbraw/zinc/33/01/65/1041330165.db2.gz GFCRSMQFINIXLK-UYAOXDASSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602977716 1041330169 /nfs/dbraw/zinc/33/01/69/1041330169.db2.gz GFCRSMQFINIXLK-UYAOXDASSA-N 1 1 321.424 3.785 20 30 DHEDMO CCOc1ccc(C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C(C)C)cc1 ZINC000598585892 1041348380 /nfs/dbraw/zinc/34/83/80/1041348380.db2.gz BDPVXXJHDKRWBG-KRWDZBQOSA-N 1 1 318.461 3.596 20 30 DHEDMO Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)cc1C ZINC000598585820 1041348398 /nfs/dbraw/zinc/34/83/98/1041348398.db2.gz AHVAWJXJWNZCEI-ROUUACIJSA-N 1 1 300.446 3.741 20 30 DHEDMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)c1 ZINC000598593816 1041355373 /nfs/dbraw/zinc/35/53/73/1041355373.db2.gz WXDKZHICUFMYNX-AEFFLSMTSA-N 1 1 300.446 3.741 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000598616259 1041362026 /nfs/dbraw/zinc/36/20/26/1041362026.db2.gz LFVLECJHHJPNQG-UYAOXDASSA-N 1 1 314.473 3.731 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000598621044 1041362626 /nfs/dbraw/zinc/36/26/26/1041362626.db2.gz QZRZPCCJMNIGRT-ZWKOTPCHSA-N 1 1 312.457 3.904 20 30 DHEDMO C[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000598621303 1041364091 /nfs/dbraw/zinc/36/40/91/1041364091.db2.gz JOAXIMBYNIYOMN-CEXWTWQISA-N 1 1 314.473 3.945 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000598622952 1041364309 /nfs/dbraw/zinc/36/43/09/1041364309.db2.gz PMDLMBQXDIJULN-IRXDYDNUSA-N 1 1 318.436 3.523 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000598622171 1041365094 /nfs/dbraw/zinc/36/50/94/1041365094.db2.gz MEXGGRCKAPSRIV-DLBZAZTESA-N 1 1 300.446 3.555 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000598621619 1041365153 /nfs/dbraw/zinc/36/51/53/1041365153.db2.gz ARGRNEBDNQYERQ-QGZVFWFLSA-N 1 1 324.424 3.605 20 30 DHEDMO C[C@H](c1ccco1)[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000088549224 185257236 /nfs/dbraw/zinc/25/72/36/185257236.db2.gz PDTYTQIGXJPXNI-CQSZACIVSA-N 1 1 323.396 3.705 20 30 DHEDMO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2c(F)cncc2F)cc1 ZINC000285712153 335024774 /nfs/dbraw/zinc/02/47/74/335024774.db2.gz PPDRFSHFKHJEFQ-QWHCGFSZSA-N 1 1 316.351 3.784 20 30 DHEDMO COc1cc(F)c([C@@H](C)[NH2+]CC#Cc2ccccc2)cc1OC ZINC000192157231 335026837 /nfs/dbraw/zinc/02/68/37/335026837.db2.gz DOCFALJNNFJGQP-CQSZACIVSA-N 1 1 313.372 3.545 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccncc2)cc1OC ZINC000183707460 335040340 /nfs/dbraw/zinc/04/03/40/335040340.db2.gz FNCMLFGZAABIKQ-HNNXBMFYSA-N 1 1 312.413 3.848 20 30 DHEDMO CC(=O)Nc1ccn([C@@H]2CC[N@H+](C[C@H]3CCCC[C@@H]3C)C2)n1 ZINC000328628996 257263741 /nfs/dbraw/zinc/26/37/41/257263741.db2.gz OIMFXVRWMRDMOP-NUEKZKHPSA-N 1 1 304.438 3.564 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(O)c1OC ZINC000272318459 130020248 /nfs/dbraw/zinc/02/02/48/130020248.db2.gz TYBVZESSMTZEHL-UHFFFAOYSA-N 1 1 310.397 3.685 20 30 DHEDMO CC(=O)c1ccc(C#N)c(NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000273234261 130100325 /nfs/dbraw/zinc/10/03/25/130100325.db2.gz RZPYWZNMOKPFDG-QGZVFWFLSA-N 1 1 313.426 3.537 20 30 DHEDMO Cc1nc2sccn2c1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000275642657 130353251 /nfs/dbraw/zinc/35/32/51/130353251.db2.gz OMICZKNYIFHFML-ZDUSSCGKSA-N 1 1 310.426 3.769 20 30 DHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000340189919 131067729 /nfs/dbraw/zinc/06/77/29/131067729.db2.gz CVLFJODMNPHILW-AWEZNQCLSA-N 1 1 311.429 3.563 20 30 DHEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000340189919 131067731 /nfs/dbraw/zinc/06/77/31/131067731.db2.gz CVLFJODMNPHILW-AWEZNQCLSA-N 1 1 311.429 3.563 20 30 DHEDMO COc1ccc([C@H](C[NH+](C)C)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000284454518 131082747 /nfs/dbraw/zinc/08/27/47/131082747.db2.gz UPSOBKNLBVXQKX-QRWLVFNGSA-N 1 1 323.440 3.520 20 30 DHEDMO C[C@]12CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]1C2(Cl)Cl ZINC000284805822 131112601 /nfs/dbraw/zinc/11/26/01/131112601.db2.gz OXIZRIQLRDWRCH-KGLIPLIRSA-N 1 1 313.203 3.713 20 30 DHEDMO C[C@]12CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]1C2(Cl)Cl ZINC000284805822 131112603 /nfs/dbraw/zinc/11/26/03/131112603.db2.gz OXIZRIQLRDWRCH-KGLIPLIRSA-N 1 1 313.203 3.713 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000285906017 131208913 /nfs/dbraw/zinc/20/89/13/131208913.db2.gz KPDVBGPNAUBMQO-NJDAHSKKSA-N 1 1 318.420 3.563 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCCNc1nc(Cl)c(C#N)s1 ZINC000286488272 131238572 /nfs/dbraw/zinc/23/85/72/131238572.db2.gz VBBTZINGBJMSKX-NSHDSACASA-N 1 1 312.870 3.735 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@@H](C3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000288773970 131338419 /nfs/dbraw/zinc/33/84/19/131338419.db2.gz BHLPLRIWEMMYTN-GOSISDBHSA-N 1 1 320.440 3.581 20 30 DHEDMO CC[N@H+](Cc1cnc([C@@H](C)O)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000289198102 131365322 /nfs/dbraw/zinc/36/53/22/131365322.db2.gz VDJYLBHRSMJEEL-QWHCGFSZSA-N 1 1 315.442 3.651 20 30 DHEDMO CC[N@@H+](Cc1cnc([C@@H](C)O)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000289198102 131365323 /nfs/dbraw/zinc/36/53/23/131365323.db2.gz VDJYLBHRSMJEEL-QWHCGFSZSA-N 1 1 315.442 3.651 20 30 DHEDMO C[N@H+](Cc1ccc(C#N)o1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000289314693 131373646 /nfs/dbraw/zinc/37/36/46/131373646.db2.gz FAYCOVZUIJGUJX-UHFFFAOYSA-N 1 1 324.302 3.724 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000289314693 131373648 /nfs/dbraw/zinc/37/36/48/131373648.db2.gz FAYCOVZUIJGUJX-UHFFFAOYSA-N 1 1 324.302 3.724 20 30 DHEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000289583921 131397799 /nfs/dbraw/zinc/39/77/99/131397799.db2.gz ZFBVLEFCCDIMSW-WOJBJXKFSA-N 1 1 324.424 3.683 20 30 DHEDMO CC[N@H+](Cc1nc(-c2ccco2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000299019203 132086346 /nfs/dbraw/zinc/08/63/46/132086346.db2.gz FREGUARKCYTIRS-CYBMUJFWSA-N 1 1 322.368 3.784 20 30 DHEDMO CC[N@@H+](Cc1nc(-c2ccco2)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000299019203 132086347 /nfs/dbraw/zinc/08/63/47/132086347.db2.gz FREGUARKCYTIRS-CYBMUJFWSA-N 1 1 322.368 3.784 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H](CCO)c2ccco2)cc1Cl ZINC000184500013 335075314 /nfs/dbraw/zinc/07/53/14/335075314.db2.gz YSJBCTKUDNHQLK-HNNXBMFYSA-N 1 1 321.804 3.711 20 30 DHEDMO Cn1c2ccccc2[nH+]c1NCCSCc1ccccc1C#N ZINC000534241599 435272918 /nfs/dbraw/zinc/27/29/18/435272918.db2.gz HIKQVGVJNCONSY-UHFFFAOYSA-N 1 1 322.437 3.790 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(C#N)c(C)n2)cc1 ZINC000488130061 435635977 /nfs/dbraw/zinc/63/59/77/435635977.db2.gz RVVAFYDQRBVROZ-ZDUSSCGKSA-N 1 1 317.396 3.929 20 30 DHEDMO C=CC[C@@H](C)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000530584853 331609562 /nfs/dbraw/zinc/60/95/62/331609562.db2.gz NHAZTDSKXSVFNO-GOSISDBHSA-N 1 1 322.452 3.770 20 30 DHEDMO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCc1cc(C#N)cs1 ZINC000530953017 331642424 /nfs/dbraw/zinc/64/24/24/331642424.db2.gz UMVHFGSIYRQBKZ-WBVHZDCISA-N 1 1 305.491 3.610 20 30 DHEDMO C=CCN(CCc1ccccc1)C(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000559270413 332010578 /nfs/dbraw/zinc/01/05/78/332010578.db2.gz OUZKWSRNMMFQMK-SFHVURJKSA-N 1 1 314.473 3.508 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)cc1)C(C)C ZINC000085440736 332012231 /nfs/dbraw/zinc/01/22/31/332012231.db2.gz MXXUNQCEZBOFLV-QGZVFWFLSA-N 1 1 315.461 3.585 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+](Cc2ccc(C(C)C)cc2)C2CC2)C1=O ZINC000410298491 332109578 /nfs/dbraw/zinc/10/95/78/332109578.db2.gz QLZDGWSGYMCZSX-IBGZPJMESA-N 1 1 312.457 3.561 20 30 DHEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000092968918 332132815 /nfs/dbraw/zinc/13/28/15/332132815.db2.gz YMXQNOPCKQYFMW-MRXNPFEDSA-N 1 1 314.429 3.925 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(NC(C)=O)cc1 ZINC000093101006 332134350 /nfs/dbraw/zinc/13/43/50/332134350.db2.gz VQNOKYBRNFIQRN-UHFFFAOYSA-N 1 1 301.434 3.797 20 30 DHEDMO N#CCCn1cc(C[N@H+]2CCC3(CCC3)C2)c(-c2ccccc2)n1 ZINC000093455797 332139004 /nfs/dbraw/zinc/13/90/04/332139004.db2.gz NRQTWFXBFLNIKE-UHFFFAOYSA-N 1 1 320.440 3.840 20 30 DHEDMO C[N@H+](Cc1nc(C(F)(F)F)cs1)CC(C)(C)CCC#N ZINC000093814807 332142724 /nfs/dbraw/zinc/14/27/24/332142724.db2.gz DCKQEPCANVDTAJ-UHFFFAOYSA-N 1 1 305.369 3.924 20 30 DHEDMO C[N@@H+](Cc1nc(C(F)(F)F)cs1)CC(C)(C)CCC#N ZINC000093814807 332142725 /nfs/dbraw/zinc/14/27/25/332142725.db2.gz DCKQEPCANVDTAJ-UHFFFAOYSA-N 1 1 305.369 3.924 20 30 DHEDMO C=CC[C@H](C(=O)NCC[N@@H+]1CCCC[C@H]1CC)c1ccccc1 ZINC000426840737 332156865 /nfs/dbraw/zinc/15/68/65/332156865.db2.gz RDCJOQMIGJUBRT-MOPGFXCFSA-N 1 1 314.473 3.727 20 30 DHEDMO COCC[N@H+](CC#Cc1ccc(Cl)cc1)Cc1cccs1 ZINC000427019144 332164799 /nfs/dbraw/zinc/16/47/99/332164799.db2.gz HTKXKQGAFYYUBQ-UHFFFAOYSA-N 1 1 319.857 3.902 20 30 DHEDMO COCC[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1cccs1 ZINC000427019144 332164800 /nfs/dbraw/zinc/16/48/00/332164800.db2.gz HTKXKQGAFYYUBQ-UHFFFAOYSA-N 1 1 319.857 3.902 20 30 DHEDMO C[C@H](O)C[N@@H+](CC#Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000427013639 332164808 /nfs/dbraw/zinc/16/48/08/332164808.db2.gz BZWLDVIOANSKKI-HNNXBMFYSA-N 1 1 305.849 3.707 20 30 DHEDMO COc1ccccc1CC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000427014910 332164824 /nfs/dbraw/zinc/16/48/24/332164824.db2.gz GHEKWINKSHGWOG-UHFFFAOYSA-N 1 1 313.828 3.875 20 30 DHEDMO C=CCC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC000427013942 332164829 /nfs/dbraw/zinc/16/48/29/332164829.db2.gz YGCUSELKXAMHHH-RBUKOAKNSA-N 1 1 314.473 3.727 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000292908151 335097883 /nfs/dbraw/zinc/09/78/83/335097883.db2.gz VLDZYWGNKSTGNW-FUHWJXTLSA-N 1 1 314.473 3.758 20 30 DHEDMO C=C(Cl)C[NH+]1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000370870127 332273982 /nfs/dbraw/zinc/27/39/82/332273982.db2.gz LJDZNGHUNYTXSG-KRWDZBQOSA-N 1 1 324.896 3.632 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H](CC(C)C)c2ccccn2)CC1 ZINC000152944541 332332477 /nfs/dbraw/zinc/33/24/77/332332477.db2.gz XOHHIIBWDRSSQE-LJQANCHMSA-N 1 1 301.478 3.799 20 30 DHEDMO N#CC1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000116260394 332337845 /nfs/dbraw/zinc/33/78/45/332337845.db2.gz NFAKLUVFEGRNNJ-UHFFFAOYSA-N 1 1 316.202 3.737 20 30 DHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N1CCCCCC1)c1ccc(F)c(F)c1 ZINC000187764128 332343858 /nfs/dbraw/zinc/34/38/58/332343858.db2.gz PDTBPYATQCMPTG-GOSISDBHSA-N 1 1 322.399 3.574 20 30 DHEDMO C#CCOc1ccc([C@H](C)[NH2+][C@H](COC)c2ccc(C)o2)cc1 ZINC000156419558 332470115 /nfs/dbraw/zinc/47/01/15/332470115.db2.gz VNWALLMZYJWZHV-MAUKXSAKSA-N 1 1 313.397 3.638 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)CCC)c1ccc(F)c(F)c1 ZINC000248547287 332606686 /nfs/dbraw/zinc/60/66/86/332606686.db2.gz GCAARPUFMZBTJX-DCGLDWPTSA-N 1 1 324.415 3.865 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137123093 332636386 /nfs/dbraw/zinc/63/63/86/332636386.db2.gz BJNOSBCINQDKNX-SNVBAGLBSA-N 1 1 301.615 3.884 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000466246006 333008389 /nfs/dbraw/zinc/00/83/89/333008389.db2.gz IYIWFKCVMHLRAJ-OKZBNKHCSA-N 1 1 314.473 3.710 20 30 DHEDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCCSCC#N ZINC000174112252 333082291 /nfs/dbraw/zinc/08/22/91/333082291.db2.gz DONSTPIFPZSDPQ-GFCCVEGCSA-N 1 1 305.472 3.936 20 30 DHEDMO COc1cc(C)c(C[N@@H+](C)CCCC(C)(C)C#N)cc1OC ZINC000174811109 333091014 /nfs/dbraw/zinc/09/10/14/333091014.db2.gz DSJVLCRFAJMWHC-UHFFFAOYSA-N 1 1 304.434 3.774 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]Cc1cc(F)ccc1OC ZINC000462775898 333110806 /nfs/dbraw/zinc/11/08/06/333110806.db2.gz HUOREGGOEMXHPL-UHFFFAOYSA-N 1 1 301.361 3.689 20 30 DHEDMO C=CCCCC[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000497155136 333130424 /nfs/dbraw/zinc/13/04/24/333130424.db2.gz YPLRBJIUGSCGCR-HNNXBMFYSA-N 1 1 302.418 3.992 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccccc1C(=O)N(C)C ZINC000417760899 335123800 /nfs/dbraw/zinc/12/38/00/335123800.db2.gz GOTTYVHTVNIXPT-UHFFFAOYSA-N 1 1 315.461 3.540 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccccc1C(=O)N(C)C ZINC000417760899 335123801 /nfs/dbraw/zinc/12/38/01/335123801.db2.gz GOTTYVHTVNIXPT-UHFFFAOYSA-N 1 1 315.461 3.540 20 30 DHEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(NC(=O)C2CC2)cc1 ZINC000179058258 333145824 /nfs/dbraw/zinc/14/58/24/333145824.db2.gz YLCBHFHOGWMJTG-AWEZNQCLSA-N 1 1 319.408 3.758 20 30 DHEDMO CC[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc2c(c1)OCCO2 ZINC000179068232 333146128 /nfs/dbraw/zinc/14/61/28/333146128.db2.gz DATZGONUKXAFHU-QGZVFWFLSA-N 1 1 308.381 3.570 20 30 DHEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(-c2cccnc2)cc1 ZINC000181279389 333168623 /nfs/dbraw/zinc/16/86/23/333168623.db2.gz OSSUQTDUFTUJTC-JKSUJKDBSA-N 1 1 304.397 3.843 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181552195 333170159 /nfs/dbraw/zinc/17/01/59/333170159.db2.gz DMUXPBOGYLRIID-OXJNMPFZSA-N 1 1 306.409 3.563 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181552195 333170160 /nfs/dbraw/zinc/17/01/60/333170160.db2.gz DMUXPBOGYLRIID-OXJNMPFZSA-N 1 1 306.409 3.563 20 30 DHEDMO N#CC1CC[NH+](CCCc2ccccc2Br)CC1 ZINC000181643405 333171002 /nfs/dbraw/zinc/17/10/02/333171002.db2.gz FIUBURLVMLQZBJ-UHFFFAOYSA-N 1 1 307.235 3.617 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000185791257 333213942 /nfs/dbraw/zinc/21/39/42/333213942.db2.gz LPQRFMDGDGZHOR-AWEZNQCLSA-N 1 1 301.821 3.963 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](CCOc3cccc(F)c3)CC2)cc1 ZINC000502506007 333301301 /nfs/dbraw/zinc/30/13/01/333301301.db2.gz PGKVSQXYSDFURJ-UHFFFAOYSA-N 1 1 322.383 3.865 20 30 DHEDMO C[C@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)c1ccc(C#N)cc1 ZINC000499939060 333320615 /nfs/dbraw/zinc/32/06/15/333320615.db2.gz NFNKJHGZNNCBSR-ZBEGNZNMSA-N 1 1 318.779 3.735 20 30 DHEDMO C=CC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000494706324 333349930 /nfs/dbraw/zinc/34/99/30/333349930.db2.gz DTUTXPGNKXJTEH-QWRGUYRKSA-N 1 1 315.244 3.677 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000188471530 333367785 /nfs/dbraw/zinc/36/77/85/333367785.db2.gz MJCPWTXLHDZCGS-FXAWDEMLSA-N 1 1 314.473 3.712 20 30 DHEDMO C[C@H](Nc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390814918 333395647 /nfs/dbraw/zinc/39/56/47/333395647.db2.gz ICJGWRKZWHWYMD-QFBILLFUSA-N 1 1 305.425 3.881 20 30 DHEDMO N#CCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000338038212 333468612 /nfs/dbraw/zinc/46/86/12/333468612.db2.gz BMXOQYYUQWBCTN-UHFFFAOYSA-N 1 1 320.371 3.682 20 30 DHEDMO C=CC[N@H+](C)Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000529551635 335143553 /nfs/dbraw/zinc/14/35/53/335143553.db2.gz OYVNSDPSBIAGRX-UHFFFAOYSA-N 1 1 312.236 3.519 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000185793157 335151336 /nfs/dbraw/zinc/15/13/36/335151336.db2.gz QUBDETYXZLAKHH-YQVWRLOYSA-N 1 1 314.473 3.758 20 30 DHEDMO N#CCC[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)CC1CC1 ZINC000270328475 334011464 /nfs/dbraw/zinc/01/14/64/334011464.db2.gz KWCBKYKRLQYFHE-HNNXBMFYSA-N 1 1 313.228 3.652 20 30 DHEDMO N#CCC[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)CC1CC1 ZINC000270328475 334011466 /nfs/dbraw/zinc/01/14/66/334011466.db2.gz KWCBKYKRLQYFHE-HNNXBMFYSA-N 1 1 313.228 3.652 20 30 DHEDMO CC1=CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000271203378 334019925 /nfs/dbraw/zinc/01/99/25/334019925.db2.gz VFMIASDBSWMRLE-UHFFFAOYSA-N 1 1 306.413 3.616 20 30 DHEDMO C=CCOc1ccc(CN(CC)[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000414719295 334073971 /nfs/dbraw/zinc/07/39/71/334073971.db2.gz UWXYQYLTPRCKMG-MRXNPFEDSA-N 1 1 322.880 3.869 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000278127313 334092945 /nfs/dbraw/zinc/09/29/45/334092945.db2.gz MIDJUEAZJUURDD-UHFFFAOYSA-N 1 1 324.472 3.790 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000278609896 334098717 /nfs/dbraw/zinc/09/87/17/334098717.db2.gz FHYMIPIRVASNDT-SFHVURJKSA-N 1 1 300.446 3.650 20 30 DHEDMO N#Cc1cccc(OCCC[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278889573 334102915 /nfs/dbraw/zinc/10/29/15/334102915.db2.gz UMIJABGXXGWXFK-CQSZACIVSA-N 1 1 312.335 3.601 20 30 DHEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000343609912 335176906 /nfs/dbraw/zinc/17/69/06/335176906.db2.gz XQNJPIIVJMIXDS-LJQANCHMSA-N 1 1 312.457 3.536 20 30 DHEDMO CC1(C)C[N@@H+](CCCC2(C#N)CCOCC2)Cc2ccccc21 ZINC000281142240 334123270 /nfs/dbraw/zinc/12/32/70/334123270.db2.gz AUGMLBCHOHZAPB-UHFFFAOYSA-N 1 1 312.457 3.880 20 30 DHEDMO COc1ccc(C[N@@H+](CCCCC#N)CC2CCC2)c(OC)c1 ZINC000282522512 334135488 /nfs/dbraw/zinc/13/54/88/334135488.db2.gz PQTBXGORQSRRLP-UHFFFAOYSA-N 1 1 316.445 4.000 20 30 DHEDMO Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)n1 ZINC000285541384 334148568 /nfs/dbraw/zinc/14/85/68/334148568.db2.gz FYWGUMIHZWAEJG-INIZCTEOSA-N 1 1 310.401 3.516 20 30 DHEDMO Cc1noc([C@@H]2CCC[N@H+]2Cc2ccccc2C(C)(C)C#N)n1 ZINC000285541384 334148569 /nfs/dbraw/zinc/14/85/69/334148569.db2.gz FYWGUMIHZWAEJG-INIZCTEOSA-N 1 1 310.401 3.516 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cc1cc(OC)c(O)c(OC)c1 ZINC000289318552 334164274 /nfs/dbraw/zinc/16/42/74/334164274.db2.gz JVGBIYQPXGVZPR-UHFFFAOYSA-N 1 1 320.433 3.561 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cc(OC)c(O)c(OC)c1 ZINC000289318552 334164276 /nfs/dbraw/zinc/16/42/76/334164276.db2.gz JVGBIYQPXGVZPR-UHFFFAOYSA-N 1 1 320.433 3.561 20 30 DHEDMO COc1ccccc1O[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000289605802 334166800 /nfs/dbraw/zinc/16/68/00/334166800.db2.gz LAUONWHIORXDBN-MRXNPFEDSA-N 1 1 316.445 3.868 20 30 DHEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CC2)ccc1OCC(C)C ZINC000343589362 335179988 /nfs/dbraw/zinc/17/99/88/335179988.db2.gz VUNYBRRTSOJLNA-CQSZACIVSA-N 1 1 302.418 3.684 20 30 DHEDMO CCC[N@@H+](C)[C@H](CNC(=O)CCCC#N)c1ccc(Cl)cc1 ZINC000291960717 334183517 /nfs/dbraw/zinc/18/35/17/334183517.db2.gz RKWLKHLOWLSRMG-MRXNPFEDSA-N 1 1 321.852 3.533 20 30 DHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCCC#N)c1 ZINC000292339145 334187012 /nfs/dbraw/zinc/18/70/12/334187012.db2.gz BGIZLAYTEWBOLL-UHFFFAOYSA-N 1 1 310.401 3.687 20 30 DHEDMO COc1cc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)c(SC)cc1OC ZINC000293063030 334195417 /nfs/dbraw/zinc/19/54/17/334195417.db2.gz LFASQTCKOLADMH-GXTWGEPZSA-N 1 1 320.458 3.550 20 30 DHEDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCCO1 ZINC000293208451 334196406 /nfs/dbraw/zinc/19/64/06/334196406.db2.gz ZPZYFRLCXBDXDZ-GOSISDBHSA-N 1 1 300.446 3.735 20 30 DHEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000293505943 334198486 /nfs/dbraw/zinc/19/84/86/334198486.db2.gz NYOJVDHFSKELRQ-ROUUACIJSA-N 1 1 322.456 3.922 20 30 DHEDMO N#CCCOCC[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000293656353 334200176 /nfs/dbraw/zinc/20/01/76/334200176.db2.gz YHYIYIUQUJWKTP-FQEVSTJZSA-N 1 1 306.409 3.564 20 30 DHEDMO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000295123168 334219152 /nfs/dbraw/zinc/21/91/52/334219152.db2.gz WWZYGWDGXBIQAZ-BWPNAZKDSA-N 1 1 311.473 3.569 20 30 DHEDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CCCSCC#N)nc2c1 ZINC000295983525 334229121 /nfs/dbraw/zinc/22/91/21/334229121.db2.gz ONBVRTNXGPDXAK-MRXNPFEDSA-N 1 1 314.458 3.655 20 30 DHEDMO Cc1ccc2nc([C@H]3CCC[N@@H+]3CCCSCC#N)[nH]c2c1 ZINC000295983525 334229123 /nfs/dbraw/zinc/22/91/23/334229123.db2.gz ONBVRTNXGPDXAK-MRXNPFEDSA-N 1 1 314.458 3.655 20 30 DHEDMO Cc1ccc2nc([C@H]3CCC[N@H+]3CCCSCC#N)[nH]c2c1 ZINC000295983525 334229125 /nfs/dbraw/zinc/22/91/25/334229125.db2.gz ONBVRTNXGPDXAK-MRXNPFEDSA-N 1 1 314.458 3.655 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H]2COc2ccccc2)cc1 ZINC000296036616 334229412 /nfs/dbraw/zinc/22/94/12/334229412.db2.gz AFJYOMSIKCNMOD-SFHVURJKSA-N 1 1 322.408 3.632 20 30 DHEDMO Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC(C)(C#N)CC1 ZINC000297782655 334244132 /nfs/dbraw/zinc/24/41/32/334244132.db2.gz WHNXQWYNJBNAME-UHFFFAOYSA-N 1 1 314.458 3.707 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000297933663 334244986 /nfs/dbraw/zinc/24/49/86/334244986.db2.gz RJFSFICBQSEJIM-AEFFLSMTSA-N 1 1 317.864 3.540 20 30 DHEDMO CC(C)(C)OC(=O)NCCC[C@@H]([NH2+]CCC#N)c1ccccc1 ZINC000298117741 334246590 /nfs/dbraw/zinc/24/65/90/334246590.db2.gz KATVLSVOBWFATI-MRXNPFEDSA-N 1 1 317.433 3.536 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C#N)Cc1cccc(Cl)c1 ZINC000048554163 334289852 /nfs/dbraw/zinc/28/98/52/334289852.db2.gz BRDJRKPZVUBMOB-UHFFFAOYSA-N 1 1 300.789 3.722 20 30 DHEDMO COc1c2ccccc2oc1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443996149 338466072 /nfs/dbraw/zinc/46/60/72/338466072.db2.gz SVGISGHPNVNZID-UHFFFAOYSA-N 1 1 306.365 3.911 20 30 DHEDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ccc(C#N)c(Cl)c1 ZINC000343776589 335191307 /nfs/dbraw/zinc/19/13/07/335191307.db2.gz JAPNKJLXOJCGAR-UHFFFAOYSA-N 1 1 317.820 3.763 20 30 DHEDMO CCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1F ZINC000344240147 335231255 /nfs/dbraw/zinc/23/12/55/335231255.db2.gz QGSGNZWNZDEDGN-UHFFFAOYSA-N 1 1 302.324 3.525 20 30 DHEDMO COc1cc(Cl)ccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000344528698 335255353 /nfs/dbraw/zinc/25/53/53/335255353.db2.gz PZXMQHWBNMWXLB-UHFFFAOYSA-N 1 1 304.752 3.649 20 30 DHEDMO C=CCCOCC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000346643561 335430709 /nfs/dbraw/zinc/43/07/09/335430709.db2.gz SUYBMONGDCCSCQ-SFHVURJKSA-N 1 1 318.367 3.632 20 30 DHEDMO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000192159204 336020172 /nfs/dbraw/zinc/02/01/72/336020172.db2.gz WTVRMIVFACQAER-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO CC[N@@H+](Cc1cnc2n[nH]c(C)c2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000351607501 336049786 /nfs/dbraw/zinc/04/97/86/336049786.db2.gz KRALYECNSPPSDY-CQSZACIVSA-N 1 1 319.412 3.721 20 30 DHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC(C)(C)C#N)c1 ZINC000351707426 336061187 /nfs/dbraw/zinc/06/11/87/336061187.db2.gz QHIHXLLTWYNPPC-UHFFFAOYSA-N 1 1 324.428 3.933 20 30 DHEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H](C)CCC2CC2)C1 ZINC000329937669 336097263 /nfs/dbraw/zinc/09/72/63/336097263.db2.gz DRLIWBTXFOVWCP-GDBMZVCRSA-N 1 1 318.465 3.575 20 30 DHEDMO C[C@@H](CNC(=O)c1coc(C2CCCC2)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000329956952 336099760 /nfs/dbraw/zinc/09/97/60/336099760.db2.gz LOOOJVBVTHXKMV-KGLIPLIRSA-N 1 1 319.449 3.757 20 30 DHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000331716936 336145415 /nfs/dbraw/zinc/14/54/15/336145415.db2.gz OUNIKXMYJCIERK-QGPMSJSTSA-N 1 1 311.429 3.540 20 30 DHEDMO CC(C)c1nc([C@@H]2CCC[N@@H+](Cc3ccc(CC#N)cc3)C2)no1 ZINC000332318720 336167965 /nfs/dbraw/zinc/16/79/65/336167965.db2.gz NFZWONOPLLHZBC-QGZVFWFLSA-N 1 1 324.428 3.639 20 30 DHEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCCC4(CCCC4)C3)o2)c1 ZINC000333774804 336209796 /nfs/dbraw/zinc/20/97/96/336209796.db2.gz YUKXKNWKVWGQGM-UHFFFAOYSA-N 1 1 322.412 3.764 20 30 DHEDMO CC[C@]1(C)CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000352611401 336226872 /nfs/dbraw/zinc/22/68/72/336226872.db2.gz HDKUIIDBBPENLP-HXUWFJFHSA-N 1 1 322.456 3.971 20 30 DHEDMO CC[C@@]1(C)CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000352611812 336226978 /nfs/dbraw/zinc/22/69/78/336226978.db2.gz KGQRFMZSSHUVNZ-IBGZPJMESA-N 1 1 308.429 3.581 20 30 DHEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCC[C@@H]1O ZINC000352674779 336229883 /nfs/dbraw/zinc/22/98/83/336229883.db2.gz QDALQEPIWXUUSP-PMACEKPBSA-N 1 1 306.409 3.570 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1ncc(C)c(OC)c1C ZINC000352700205 336230989 /nfs/dbraw/zinc/23/09/89/336230989.db2.gz AHOVSFDOCVOJTL-UHFFFAOYSA-N 1 1 300.402 3.531 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C#N)c(C)c1 ZINC000352805951 336242222 /nfs/dbraw/zinc/24/22/22/336242222.db2.gz SYWSOLVGCBMGOJ-UHFFFAOYSA-N 1 1 310.397 3.530 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C#N)c(C)c1 ZINC000352805951 336242223 /nfs/dbraw/zinc/24/22/23/336242223.db2.gz SYWSOLVGCBMGOJ-UHFFFAOYSA-N 1 1 310.397 3.530 20 30 DHEDMO C[N@@H+](Cc1cccc(O)c1)Cc1cccc(OCCCC#N)c1 ZINC000532501547 336252365 /nfs/dbraw/zinc/25/23/65/336252365.db2.gz OREIUCAIBHIQLE-UHFFFAOYSA-N 1 1 310.397 3.707 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000532518280 336253448 /nfs/dbraw/zinc/25/34/48/336253448.db2.gz YJGRQMOKHOKPTP-IRXDYDNUSA-N 1 1 302.462 3.535 20 30 DHEDMO C[C@@H](C[N@@H+](CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000580378902 336261249 /nfs/dbraw/zinc/26/12/49/336261249.db2.gz DOFRAGOGKDMKGF-SFHVURJKSA-N 1 1 321.468 3.726 20 30 DHEDMO C[C@@H](CN(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000580378902 336261250 /nfs/dbraw/zinc/26/12/50/336261250.db2.gz DOFRAGOGKDMKGF-SFHVURJKSA-N 1 1 321.468 3.726 20 30 DHEDMO CCSc1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352830563 336268463 /nfs/dbraw/zinc/26/84/63/336268463.db2.gz BFRWGARMOWQMTO-LLVKDONJSA-N 1 1 303.456 3.978 20 30 DHEDMO Cc1[nH]c2c(cc(C)cc2C[NH2+]Cc2nc(C#N)cs2)c1C ZINC000352840996 336274710 /nfs/dbraw/zinc/27/47/10/336274710.db2.gz QCDAEDZEUAUSFD-UHFFFAOYSA-N 1 1 310.426 3.711 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000526942175 336275306 /nfs/dbraw/zinc/27/53/06/336275306.db2.gz JDUKVRPFWJYSFF-CYBMUJFWSA-N 1 1 307.353 3.586 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000526942175 336275307 /nfs/dbraw/zinc/27/53/07/336275307.db2.gz JDUKVRPFWJYSFF-CYBMUJFWSA-N 1 1 307.353 3.586 20 30 DHEDMO N#Cc1ccc(NCCC[N@H+]2CCc3ccccc3C2)c(F)c1 ZINC000301166048 336292870 /nfs/dbraw/zinc/29/28/70/336292870.db2.gz VMSDOHUCYDVZNL-UHFFFAOYSA-N 1 1 309.388 3.558 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc(Cl)cc2C#N)cn1 ZINC000301175757 336293355 /nfs/dbraw/zinc/29/33/55/336293355.db2.gz GDGAFUGSAKIKEX-UHFFFAOYSA-N 1 1 323.787 3.713 20 30 DHEDMO N#Cc1cc(Cl)ccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000301211022 336295101 /nfs/dbraw/zinc/29/51/01/336295101.db2.gz UZWMXWDXHQKHGD-UHFFFAOYSA-N 1 1 317.845 3.595 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNc1cccc(C#N)n1 ZINC000301256265 336297163 /nfs/dbraw/zinc/29/71/63/336297163.db2.gz DHGPYKJLIXIQGW-MRXNPFEDSA-N 1 1 320.440 3.940 20 30 DHEDMO C[N@H+]1CC[C@@H](Nc2ccc(C#N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000301866400 336335063 /nfs/dbraw/zinc/33/50/63/336335063.db2.gz DKSVLQLWNJDARH-QZTJIDSGSA-N 1 1 313.351 3.694 20 30 DHEDMO CC[N@@H+](C)Cc1cccc(CNc2cc(C#N)ccc2C(C)=O)c1 ZINC000302068549 336346588 /nfs/dbraw/zinc/34/65/88/336346588.db2.gz XEGFWINYOBMDIP-UHFFFAOYSA-N 1 1 321.424 3.825 20 30 DHEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000514121442 336371620 /nfs/dbraw/zinc/37/16/20/336371620.db2.gz WEYOGROIKMDSCR-FQEVSTJZSA-N 1 1 312.457 3.708 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2c(C#N)cccc2C#N)C1 ZINC000302895735 336373511 /nfs/dbraw/zinc/37/35/11/336373511.db2.gz QWOSEMFZGKMFED-IAGOWNOFSA-N 1 1 322.456 3.521 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCO[C@@H](C)C1 ZINC000352901255 336375410 /nfs/dbraw/zinc/37/54/10/336375410.db2.gz JDEWNLZESCIYAJ-DLBZAZTESA-N 1 1 305.466 3.657 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1c[nH]nc1-c1ccccc1 ZINC000352929841 336377854 /nfs/dbraw/zinc/37/78/54/336377854.db2.gz IGJVTVNMIRGKKD-UHFFFAOYSA-N 1 1 307.397 3.900 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cn(C)nc1-c1ccccc1 ZINC000352934062 336378106 /nfs/dbraw/zinc/37/81/06/336378106.db2.gz UEVXHXLRAOBMKB-UHFFFAOYSA-N 1 1 321.424 3.911 20 30 DHEDMO N#Cc1csc(C[NH2+]C2CC(F)(c3cccc(Cl)c3)C2)n1 ZINC000352945710 336378748 /nfs/dbraw/zinc/37/87/48/336378748.db2.gz PAFRVGYIXNNTBZ-UHFFFAOYSA-N 1 1 321.808 3.785 20 30 DHEDMO CN(CCCCC#N)[C@H]1CCCC[C@@H]1[N@@H+](C)CCCCC#N ZINC000352969636 336380101 /nfs/dbraw/zinc/38/01/01/336380101.db2.gz SIPXVGWFPGZVAI-ROUUACIJSA-N 1 1 304.482 3.549 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000514631553 336386881 /nfs/dbraw/zinc/38/68/81/336386881.db2.gz XXAFRODJXRPEMB-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000514631553 336386882 /nfs/dbraw/zinc/38/68/82/336386882.db2.gz XXAFRODJXRPEMB-UHFFFAOYSA-N 1 1 322.408 3.740 20 30 DHEDMO CCc1nc(C[NH2+]Cc2cccc(OCCCC#N)c2)cs1 ZINC000107716204 336392574 /nfs/dbraw/zinc/39/25/74/336392574.db2.gz BMGFZFLICZHPFY-UHFFFAOYSA-N 1 1 315.442 3.678 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)o1 ZINC000418093349 336399199 /nfs/dbraw/zinc/39/91/99/336399199.db2.gz JCPRGGTUMRLIAJ-AWEZNQCLSA-N 1 1 302.324 3.637 20 30 DHEDMO CN(C)Cc1cc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)ccc1F ZINC000353258603 336408631 /nfs/dbraw/zinc/40/86/31/336408631.db2.gz CWBBNUZOTXJVIS-FQEVSTJZSA-N 1 1 323.415 3.536 20 30 DHEDMO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cn1 ZINC000358567649 336634922 /nfs/dbraw/zinc/63/49/22/336634922.db2.gz DGKNNHRDPXFTIZ-CYBMUJFWSA-N 1 1 313.376 3.732 20 30 DHEDMO C[C@@H]1[N@@H+](CC#Cc2cccc(Cl)c2)CCC12CCOCC2 ZINC000375240915 337006430 /nfs/dbraw/zinc/00/64/30/337006430.db2.gz JNULGQFWRIPHDX-HNNXBMFYSA-N 1 1 303.833 3.583 20 30 DHEDMO C[N@H+]1CC[C@H](Nc2cccc(OCCCC#N)c2)[C@H]2CCC[C@H]21 ZINC000375850125 337021452 /nfs/dbraw/zinc/02/14/52/337021452.db2.gz IQTAUKVHAUPTQQ-CEXWTWQISA-N 1 1 313.445 3.654 20 30 DHEDMO C=CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000123244173 337041300 /nfs/dbraw/zinc/04/13/00/337041300.db2.gz OVJNDMVORLISSH-ZIAGYGMSSA-N 1 1 312.417 3.506 20 30 DHEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000378039882 337065511 /nfs/dbraw/zinc/06/55/11/337065511.db2.gz JAYFUGIYPBHABA-PXNSSMCTSA-N 1 1 307.441 3.800 20 30 DHEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000378039886 337065540 /nfs/dbraw/zinc/06/55/40/337065540.db2.gz JAYFUGIYPBHABA-YLJYHZDGSA-N 1 1 307.441 3.800 20 30 DHEDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)no1 ZINC000378170363 337067689 /nfs/dbraw/zinc/06/76/89/337067689.db2.gz VIARBPBKLHKIPW-MRXNPFEDSA-N 1 1 324.428 3.559 20 30 DHEDMO CCCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1CCCCC1 ZINC000582606361 337112992 /nfs/dbraw/zinc/11/29/92/337112992.db2.gz HRXSSZMSUOAYCO-UHFFFAOYSA-N 1 1 311.433 3.536 20 30 DHEDMO Cc1ccc(-c2noc([C@H](C)[NH2+][C@H]3CC[C@H](C#N)C3)n2)cc1F ZINC000582612944 337114491 /nfs/dbraw/zinc/11/44/91/337114491.db2.gz GIACXFNDXHBSOI-OBJOEFQTSA-N 1 1 314.364 3.527 20 30 DHEDMO CC(C)(C#N)CCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000174863928 337145117 /nfs/dbraw/zinc/14/51/17/337145117.db2.gz CJFSJHOSSJYFTB-GOSISDBHSA-N 1 1 305.510 3.904 20 30 DHEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177485783 337156223 /nfs/dbraw/zinc/15/62/23/337156223.db2.gz QDDIHYAHZLMOFN-UHFFFAOYSA-N 1 1 316.420 3.869 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000582789148 337166465 /nfs/dbraw/zinc/16/64/65/337166465.db2.gz SJGZKSKZVALETK-FZKQIMNGSA-N 1 1 307.353 3.659 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000582789148 337166466 /nfs/dbraw/zinc/16/64/66/337166466.db2.gz SJGZKSKZVALETK-FZKQIMNGSA-N 1 1 307.353 3.659 20 30 DHEDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000179928409 337172670 /nfs/dbraw/zinc/17/26/70/337172670.db2.gz NYAWBIOBZMMHDL-BEFAXECRSA-N 1 1 322.456 3.969 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000181048954 337179498 /nfs/dbraw/zinc/17/94/98/337179498.db2.gz RRANTTCIMFMFNG-UHFFFAOYSA-N 1 1 318.424 3.942 20 30 DHEDMO C=C(C)C[N@@H+](C)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000181324061 337181396 /nfs/dbraw/zinc/18/13/96/337181396.db2.gz PCICEYJQJZZKKY-UHFFFAOYSA-N 1 1 300.324 3.542 20 30 DHEDMO C=CCC[C@H]([NH2+]Cc1nnc(C2CCC2)n1C)c1ccccc1 ZINC000181757160 337184414 /nfs/dbraw/zinc/18/44/14/337184414.db2.gz RPJNOZRXMWHZTI-KRWDZBQOSA-N 1 1 310.445 3.880 20 30 DHEDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000185493376 337205821 /nfs/dbraw/zinc/20/58/21/337205821.db2.gz FZGUUJWTLHRPEA-ZDUSSCGKSA-N 1 1 315.417 3.642 20 30 DHEDMO C#CCC(C)(C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000185869494 337252183 /nfs/dbraw/zinc/25/21/83/337252183.db2.gz WQFFVEWWFDRDQL-QGZVFWFLSA-N 1 1 318.505 3.539 20 30 DHEDMO Cn1cc(C[N@H+](Cc2ccco2)Cc2ccccc2)cc1C#N ZINC000191181267 337292926 /nfs/dbraw/zinc/29/29/26/337292926.db2.gz NKXGJEIAPAHQBG-UHFFFAOYSA-N 1 1 305.381 3.692 20 30 DHEDMO Cn1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2)cc1C#N ZINC000191181267 337292927 /nfs/dbraw/zinc/29/29/27/337292927.db2.gz NKXGJEIAPAHQBG-UHFFFAOYSA-N 1 1 305.381 3.692 20 30 DHEDMO C=C(C)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(F)c(F)c1 ZINC000191614877 337297911 /nfs/dbraw/zinc/29/79/11/337297911.db2.gz WGEUIFMQINPSEP-QGZVFWFLSA-N 1 1 301.340 3.582 20 30 DHEDMO C=CC[N@@H+](CCOC)Cc1ccc(-c2ccncc2)cc1F ZINC000191758160 337299881 /nfs/dbraw/zinc/29/98/81/337299881.db2.gz NQIVQHGSHAFWSY-UHFFFAOYSA-N 1 1 300.377 3.522 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1ccc(-c2ccncc2)cc1F ZINC000191758160 337299882 /nfs/dbraw/zinc/29/98/82/337299882.db2.gz NQIVQHGSHAFWSY-UHFFFAOYSA-N 1 1 300.377 3.522 20 30 DHEDMO N#Cc1ccc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)cc1F ZINC000192042448 337302126 /nfs/dbraw/zinc/30/21/26/337302126.db2.gz OOEOLQNONALWOG-QGZVFWFLSA-N 1 1 302.393 3.621 20 30 DHEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(C#N)c(F)c1)CCC2 ZINC000192104588 337302977 /nfs/dbraw/zinc/30/29/77/337302977.db2.gz CLJJKMMYTIGUMR-MRXNPFEDSA-N 1 1 315.417 3.972 20 30 DHEDMO C=CCCCC[N@@H+]1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000583303777 337312263 /nfs/dbraw/zinc/31/22/63/337312263.db2.gz QSTHZUQKAIIPEO-CYBMUJFWSA-N 1 1 308.447 3.731 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000111382521 337389736 /nfs/dbraw/zinc/38/97/36/337389736.db2.gz LUYDFTGETYSJCL-AWEZNQCLSA-N 1 1 324.403 3.930 20 30 DHEDMO CC[N@@H+](Cc1cn(C)nc1-c1cc2ccccc2o1)C[C@H](C)C#N ZINC000120509921 337396017 /nfs/dbraw/zinc/39/60/17/337396017.db2.gz AGNOQKPYENZHOE-CQSZACIVSA-N 1 1 322.412 3.815 20 30 DHEDMO CC[N@H+](Cc1cn(C)nc1-c1cc2ccccc2o1)C[C@H](C)C#N ZINC000120509921 337396018 /nfs/dbraw/zinc/39/60/18/337396018.db2.gz AGNOQKPYENZHOE-CQSZACIVSA-N 1 1 322.412 3.815 20 30 DHEDMO C=CCn1cc(C[NH2+][C@@H](c2ccc(CCC)cc2)C(C)C)nn1 ZINC000424298056 337817214 /nfs/dbraw/zinc/81/72/14/337817214.db2.gz RWWYIGAMRZXEAM-LJQANCHMSA-N 1 1 312.461 3.904 20 30 DHEDMO C=C(C)C(C)(C)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000424620320 337925147 /nfs/dbraw/zinc/92/51/47/337925147.db2.gz OLWZICHFXOLFLS-UHFFFAOYSA-N 1 1 315.392 3.538 20 30 DHEDMO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccc(C#N)cn1 ZINC000516191471 338006362 /nfs/dbraw/zinc/00/63/62/338006362.db2.gz OWVUDJYOOBLAST-GOSISDBHSA-N 1 1 309.413 3.839 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426455103 338032608 /nfs/dbraw/zinc/03/26/08/338032608.db2.gz AQPPMSHLURRFRO-GOEBONIOSA-N 1 1 316.470 3.778 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1SC ZINC000426556428 338034557 /nfs/dbraw/zinc/03/45/57/338034557.db2.gz BDNZVMIBXHDJPK-CQSZACIVSA-N 1 1 307.459 3.966 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000428393928 338049929 /nfs/dbraw/zinc/04/99/29/338049929.db2.gz QPHRRJXNNDYUQW-LJQANCHMSA-N 1 1 301.430 3.642 20 30 DHEDMO CCOc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2OC)cc1 ZINC000448448865 338058794 /nfs/dbraw/zinc/05/87/94/338058794.db2.gz TUPRMEQDZGZBTM-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO CCOc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2OC)cc1 ZINC000448448865 338058795 /nfs/dbraw/zinc/05/87/95/338058795.db2.gz TUPRMEQDZGZBTM-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO Cc1cccc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)c1C ZINC000428738683 338060109 /nfs/dbraw/zinc/06/01/09/338060109.db2.gz BFZZPXFBFANUGB-UHFFFAOYSA-N 1 1 321.424 3.636 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000428960024 338066794 /nfs/dbraw/zinc/06/67/94/338066794.db2.gz ZNSGCCYHEDUKGU-KFKAGJAMSA-N 1 1 316.420 3.603 20 30 DHEDMO CC(C)(CO)[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428982812 338067659 /nfs/dbraw/zinc/06/76/59/338067659.db2.gz CLWUWJYAFLWWSF-GOSISDBHSA-N 1 1 312.388 3.547 20 30 DHEDMO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCC(C)(C)C#N ZINC000428993419 338067869 /nfs/dbraw/zinc/06/78/69/338067869.db2.gz CRZZMPJZDWDBOS-ZDUSSCGKSA-N 1 1 323.843 3.929 20 30 DHEDMO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CCCC(C)(C)C#N ZINC000429245128 338074534 /nfs/dbraw/zinc/07/45/34/338074534.db2.gz JDDXRIFNOBCWGD-HNNXBMFYSA-N 1 1 303.425 3.666 20 30 DHEDMO Cc1ccoc1C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000429390702 338079430 /nfs/dbraw/zinc/07/94/30/338079430.db2.gz WHMCGTBKBXJCIP-UHFFFAOYSA-N 1 1 306.312 3.693 20 30 DHEDMO Cc1ccoc1C[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000429390702 338079431 /nfs/dbraw/zinc/07/94/31/338079431.db2.gz WHMCGTBKBXJCIP-UHFFFAOYSA-N 1 1 306.312 3.693 20 30 DHEDMO C[C@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000429586167 338085367 /nfs/dbraw/zinc/08/53/67/338085367.db2.gz AUDHXARFWBSXRW-WFASDCNBSA-N 1 1 319.836 3.661 20 30 DHEDMO C=CCC(C)(C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000429932122 338092387 /nfs/dbraw/zinc/09/23/87/338092387.db2.gz ZEHAEYJBWXWDPM-HNNXBMFYSA-N 1 1 308.853 3.661 20 30 DHEDMO N#CCC1(C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000430730544 338112587 /nfs/dbraw/zinc/11/25/87/338112587.db2.gz RURAPGVXGIKUNY-QGZVFWFLSA-N 1 1 313.351 3.733 20 30 DHEDMO C=CCC(C)(C)CNC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000432559872 338159003 /nfs/dbraw/zinc/15/90/03/338159003.db2.gz DYEWTWWHFLDWGR-UHFFFAOYSA-N 1 1 317.477 3.540 20 30 DHEDMO C[N@@H+](CCCc1ccccc1Br)CC(C)(C)C#N ZINC000433308895 338191047 /nfs/dbraw/zinc/19/10/47/338191047.db2.gz YZFRBJCUZCKAQM-UHFFFAOYSA-N 1 1 309.251 3.863 20 30 DHEDMO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(C)[nH+]c2c(OC)cccc12 ZINC000435593602 338243123 /nfs/dbraw/zinc/24/31/23/338243123.db2.gz RMVCSIMDSRDYLQ-KUHUBIRLSA-N 1 1 312.413 3.945 20 30 DHEDMO N#Cc1csc(CNC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000435738847 338247154 /nfs/dbraw/zinc/24/71/54/338247154.db2.gz CUKYTUYRGIHGRL-MRXNPFEDSA-N 1 1 303.475 3.506 20 30 DHEDMO N#Cc1csc(C[NH2+]C[C@H]2CCCN2C2CCCCC2)c1 ZINC000435738847 338247155 /nfs/dbraw/zinc/24/71/55/338247155.db2.gz CUKYTUYRGIHGRL-MRXNPFEDSA-N 1 1 303.475 3.506 20 30 DHEDMO C=CC[N@H+](C)Cc1ccc(OCC(F)(F)F)c(OCC)c1 ZINC000154786901 338252605 /nfs/dbraw/zinc/25/26/05/338252605.db2.gz FSAUARYLADPCNA-UHFFFAOYSA-N 1 1 303.324 3.644 20 30 DHEDMO N#Cc1c(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)cn2ccccc12 ZINC000437536156 338313022 /nfs/dbraw/zinc/31/30/22/338313022.db2.gz MWRBRMFJACAEMU-ROUUACIJSA-N 1 1 311.454 3.671 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000437649135 338317139 /nfs/dbraw/zinc/31/71/39/338317139.db2.gz IDZGVFVPRHUBTH-UHFFFAOYSA-N 1 1 324.399 3.913 20 30 DHEDMO Fc1ccc(C#CC[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000437856320 338323443 /nfs/dbraw/zinc/32/34/43/338323443.db2.gz UVXQOUHJTNHTGC-LJQANCHMSA-N 1 1 311.425 3.967 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000437856320 338323444 /nfs/dbraw/zinc/32/34/44/338323444.db2.gz UVXQOUHJTNHTGC-LJQANCHMSA-N 1 1 311.425 3.967 20 30 DHEDMO CC(C)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000438485502 338345741 /nfs/dbraw/zinc/34/57/41/338345741.db2.gz LQVGONXTQKIQIX-TZMCWYRMSA-N 1 1 319.836 3.517 20 30 DHEDMO CCC1(CC)CC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000438489627 338345927 /nfs/dbraw/zinc/34/59/27/338345927.db2.gz GOYREJGEJOLMHD-CYBMUJFWSA-N 1 1 317.433 3.607 20 30 DHEDMO CCC1(CC)CC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000438489627 338345928 /nfs/dbraw/zinc/34/59/28/338345928.db2.gz GOYREJGEJOLMHD-CYBMUJFWSA-N 1 1 317.433 3.607 20 30 DHEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000439263934 338365464 /nfs/dbraw/zinc/36/54/64/338365464.db2.gz SWXMCOSEWDFNPE-OAQYLSRUSA-N 1 1 322.452 3.916 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)CCCOCc1ccccc1 ZINC000439465095 338370432 /nfs/dbraw/zinc/37/04/32/338370432.db2.gz FCUMFNHFSSBURI-UHFFFAOYSA-N 1 1 324.424 3.606 20 30 DHEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000440910351 338399828 /nfs/dbraw/zinc/39/98/28/338399828.db2.gz CPVOROJNMDSTRI-LJQANCHMSA-N 1 1 308.425 3.610 20 30 DHEDMO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000449567514 338638398 /nfs/dbraw/zinc/63/83/98/338638398.db2.gz WOURNKIMAQSUPO-NSHDSACASA-N 1 1 322.334 3.644 20 30 DHEDMO C=CCSCC[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453128266 338797258 /nfs/dbraw/zinc/79/72/58/338797258.db2.gz CJXDWKUTPILRFI-OAHLLOKOSA-N 1 1 321.877 3.672 20 30 DHEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459373652 339025283 /nfs/dbraw/zinc/02/52/83/339025283.db2.gz LEJSINMALNBBMD-WMLDXEAASA-N 1 1 321.380 3.844 20 30 DHEDMO CCO[C@@H]1C[C@@H]([NH2+][C@H](CC)CC#N)[C@H]1Sc1ccccc1 ZINC000459475497 339031420 /nfs/dbraw/zinc/03/14/20/339031420.db2.gz GKDVOEXAJXOFJC-MWQQHZPXSA-N 1 1 304.459 3.607 20 30 DHEDMO C=CCC[N@H+](C)Cc1cc(Br)c(O)c(OCC)c1 ZINC000459519159 339033799 /nfs/dbraw/zinc/03/37/99/339033799.db2.gz XBRZWJDFZTZHFE-UHFFFAOYSA-N 1 1 314.223 3.561 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459559576 339035745 /nfs/dbraw/zinc/03/57/45/339035745.db2.gz LACPZVBLWTUJMI-KUHUBIRLSA-N 1 1 314.429 3.673 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCc1ccncc1 ZINC000462309664 339075514 /nfs/dbraw/zinc/07/55/14/339075514.db2.gz CZLSIEDZDBRZDU-PMACEKPBSA-N 1 1 305.425 3.786 20 30 DHEDMO C=CCC[C@@H](CCC)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000462855602 339094459 /nfs/dbraw/zinc/09/44/59/339094459.db2.gz NZSUXPWOXRREFR-IEBWSBKVSA-N 1 1 302.462 3.800 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CC#Cc2ccccc2)C1 ZINC000463217324 339109926 /nfs/dbraw/zinc/10/99/26/339109926.db2.gz CCHMXECXSLEDAI-PMXSJFBMSA-N 1 1 311.469 3.690 20 30 DHEDMO CC[C@]1(C)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000464771778 339152367 /nfs/dbraw/zinc/15/23/67/339152367.db2.gz GXOCMIBVTSQXQM-QGZVFWFLSA-N 1 1 319.836 3.662 20 30 DHEDMO CC[C@]1(C)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000464771778 339152368 /nfs/dbraw/zinc/15/23/68/339152368.db2.gz GXOCMIBVTSQXQM-QGZVFWFLSA-N 1 1 319.836 3.662 20 30 DHEDMO CCC[C@]1(C)CCC[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000464840431 339156812 /nfs/dbraw/zinc/15/68/12/339156812.db2.gz UXRWEQJBMOWOEX-LJQANCHMSA-N 1 1 316.445 3.848 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000464854312 339158126 /nfs/dbraw/zinc/15/81/26/339158126.db2.gz ONKBZEQCBXEFDB-DOTOQJQBSA-N 1 1 323.358 3.558 20 30 DHEDMO CCC[C@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000466475064 339206567 /nfs/dbraw/zinc/20/65/67/339206567.db2.gz QVVMKECKTGEDEH-AWEZNQCLSA-N 1 1 319.474 3.687 20 30 DHEDMO CCC[C@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1 ZINC000466475064 339206568 /nfs/dbraw/zinc/20/65/68/339206568.db2.gz QVVMKECKTGEDEH-AWEZNQCLSA-N 1 1 319.474 3.687 20 30 DHEDMO COCC[C@H]1CCCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000467274331 339229584 /nfs/dbraw/zinc/22/95/84/339229584.db2.gz GDAIYDVIFWUYTA-QGZVFWFLSA-N 1 1 305.849 3.830 20 30 DHEDMO COCC[C@@H]1CCCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000467272519 339229588 /nfs/dbraw/zinc/22/95/88/339229588.db2.gz DLSZQUQGFPIKRL-KRWDZBQOSA-N 1 1 305.849 3.830 20 30 DHEDMO C=CCC[N@H+](C)[C@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000467302308 339230503 /nfs/dbraw/zinc/23/05/03/339230503.db2.gz XNZOFISAYNAWSK-QGZVFWFLSA-N 1 1 322.452 3.789 20 30 DHEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000467329868 339231915 /nfs/dbraw/zinc/23/19/15/339231915.db2.gz DYWFYMRGDNOMHM-VQIMIIECSA-N 1 1 312.457 3.707 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCCO[C@@H](CC)C2)ccc1OC ZINC000467568627 339243075 /nfs/dbraw/zinc/24/30/75/339243075.db2.gz VRFHSKRHKXFXJX-KRWDZBQOSA-N 1 1 319.445 3.651 20 30 DHEDMO COc1cccc(C2=CC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC000468268297 339258293 /nfs/dbraw/zinc/25/82/93/339258293.db2.gz QNCJQRRIHVQILR-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO COc1cccc(C2=CC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC000468268297 339258294 /nfs/dbraw/zinc/25/82/94/339258294.db2.gz QNCJQRRIHVQILR-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000469448481 339289756 /nfs/dbraw/zinc/28/97/56/339289756.db2.gz PWSKAZHDFQADDB-ZDUSSCGKSA-N 1 1 316.326 3.965 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000469448481 339289757 /nfs/dbraw/zinc/28/97/57/339289757.db2.gz PWSKAZHDFQADDB-ZDUSSCGKSA-N 1 1 316.326 3.965 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)ccc1F ZINC000469471677 339290706 /nfs/dbraw/zinc/29/07/06/339290706.db2.gz AVAKIZXLNLPPSV-ZDUSSCGKSA-N 1 1 316.326 3.965 20 30 DHEDMO C=CCCCCC[N@@H+](C)[C@@H](C)c1nnnn1C1CCCCC1 ZINC000469598413 339294130 /nfs/dbraw/zinc/29/41/30/339294130.db2.gz HKOZIAVGIDZMMP-HNNXBMFYSA-N 1 1 305.470 3.918 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)c1nnnn1C1CCCCC1 ZINC000469598413 339294131 /nfs/dbraw/zinc/29/41/31/339294131.db2.gz HKOZIAVGIDZMMP-HNNXBMFYSA-N 1 1 305.470 3.918 20 30 DHEDMO C=C[C@H](CC(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC000470299196 339316627 /nfs/dbraw/zinc/31/66/27/339316627.db2.gz VGUOWFFDYWCVJC-QGZVFWFLSA-N 1 1 314.473 3.585 20 30 DHEDMO C=CCOCCC[N@H+]1CCc2c(Br)cccc2[C@@H]1C ZINC000470762157 339326998 /nfs/dbraw/zinc/32/69/98/339326998.db2.gz PMVWTRBRDZMFKN-ZDUSSCGKSA-N 1 1 324.262 3.961 20 30 DHEDMO C=CCOCCC[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000470766437 339327238 /nfs/dbraw/zinc/32/72/38/339327238.db2.gz PXJWXSPFWCLXBR-OAHLLOKOSA-N 1 1 309.837 3.776 20 30 DHEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000470954724 339332697 /nfs/dbraw/zinc/33/26/97/339332697.db2.gz BQVQDCPQYRMKET-DOMZBBRYSA-N 1 1 312.335 3.600 20 30 DHEDMO C=C(C)CN(Cc1ccccc1)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000471802874 339354668 /nfs/dbraw/zinc/35/46/68/339354668.db2.gz DIVRETKZJJEDER-QGZVFWFLSA-N 1 1 317.477 3.505 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000472744183 339376750 /nfs/dbraw/zinc/37/67/50/339376750.db2.gz BQFCZBDCAITRPZ-FPOVZHCZSA-N 1 1 307.437 3.961 20 30 DHEDMO Cc1ccc(C)c(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000483977688 339679132 /nfs/dbraw/zinc/67/91/32/339679132.db2.gz QNSDKUQFMQCCOG-UHFFFAOYSA-N 1 1 323.415 3.636 20 30 DHEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000497062375 340019418 /nfs/dbraw/zinc/01/94/18/340019418.db2.gz JTEDHXXDVWDXIX-OAHLLOKOSA-N 1 1 323.481 3.648 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000501199528 340076069 /nfs/dbraw/zinc/07/60/69/340076069.db2.gz AQXDLNWAUOMCEL-BEFAXECRSA-N 1 1 306.409 3.945 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000501239624 340076852 /nfs/dbraw/zinc/07/68/52/340076852.db2.gz LHDTVDCHKMBJJU-HXUWFJFHSA-N 1 1 306.409 3.730 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000501269261 340077632 /nfs/dbraw/zinc/07/76/32/340077632.db2.gz OTVIXGPZLOSBJK-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000501269261 340077633 /nfs/dbraw/zinc/07/76/33/340077633.db2.gz OTVIXGPZLOSBJK-UHFFFAOYSA-N 1 1 300.789 3.852 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC000501418924 340080431 /nfs/dbraw/zinc/08/04/31/340080431.db2.gz MJTMKRPSUOFYDM-BLLLJJGKSA-N 1 1 324.262 3.523 20 30 DHEDMO C=CCCCCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503247547 340123883 /nfs/dbraw/zinc/12/38/83/340123883.db2.gz XAKXHLOUMFLIGV-KRWDZBQOSA-N 1 1 302.462 3.884 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000505023234 340159209 /nfs/dbraw/zinc/15/92/09/340159209.db2.gz KMOOUIGPNPDNTB-JKSUJKDBSA-N 1 1 315.461 3.752 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000505056987 340160171 /nfs/dbraw/zinc/16/01/71/340160171.db2.gz FNNQSMASTOBSAA-OAHLLOKOSA-N 1 1 313.445 3.577 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505861564 340179859 /nfs/dbraw/zinc/17/98/59/340179859.db2.gz DUUWWAABOAMVDK-HNNXBMFYSA-N 1 1 310.372 3.598 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505861564 340179860 /nfs/dbraw/zinc/17/98/60/340179860.db2.gz DUUWWAABOAMVDK-HNNXBMFYSA-N 1 1 310.372 3.598 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000505870236 340180191 /nfs/dbraw/zinc/18/01/91/340180191.db2.gz VALFJPVHCKPHKL-INIZCTEOSA-N 1 1 310.372 3.598 20 30 DHEDMO C[N@@H+](CCOc1cccc(Cl)c1)Cc1ccc(C#N)s1 ZINC000506162490 340187215 /nfs/dbraw/zinc/18/72/15/340187215.db2.gz AZCZFOALBTYPOJ-UHFFFAOYSA-N 1 1 306.818 3.784 20 30 DHEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1)Cc1ccccc1F ZINC000506894239 340203174 /nfs/dbraw/zinc/20/31/74/340203174.db2.gz YKICRVUZJXYWAM-UHFFFAOYSA-N 1 1 312.388 3.843 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)cc1OC ZINC000507153152 340209833 /nfs/dbraw/zinc/20/98/33/340209833.db2.gz ABZVPKTXEPFXNA-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO Cc1ccccc1[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000507178253 340211336 /nfs/dbraw/zinc/21/13/36/340211336.db2.gz IAADYQYKLSIWMA-GOSISDBHSA-N 1 1 306.409 3.735 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]1CCO[C@@H](CC)C1 ZINC000507774650 340230772 /nfs/dbraw/zinc/23/07/72/340230772.db2.gz JQVDHOQSGIBVAO-MSOLQXFVSA-N 1 1 303.446 3.888 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1CCO[C@@H](CC)C1 ZINC000507774656 340230903 /nfs/dbraw/zinc/23/09/03/340230903.db2.gz JQVDHOQSGIBVAO-ROUUACIJSA-N 1 1 303.446 3.888 20 30 DHEDMO CC[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCO1 ZINC000507786314 340231343 /nfs/dbraw/zinc/23/13/43/340231343.db2.gz YLJZDPAHMMPSBZ-LMCOJAPRSA-N 1 1 312.457 3.963 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510616170 340303982 /nfs/dbraw/zinc/30/39/82/340303982.db2.gz FEZLLSHTXVXNOZ-LJQANCHMSA-N 1 1 314.473 3.556 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)C[C@@H](C)CC ZINC000303447814 340325882 /nfs/dbraw/zinc/32/58/82/340325882.db2.gz HMVHODDEXQSHTQ-GJZGRUSLSA-N 1 1 308.491 3.629 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2C[C@@H](C)O[C@H](CC)C2)ccc1OC ZINC000511837743 340339747 /nfs/dbraw/zinc/33/97/47/340339747.db2.gz JCUHVGIYOALXFR-NVXWUHKLSA-N 1 1 319.445 3.649 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2C[C@@H](C)O[C@H](CC)C2)ccc1OC ZINC000511837743 340339748 /nfs/dbraw/zinc/33/97/48/340339748.db2.gz JCUHVGIYOALXFR-NVXWUHKLSA-N 1 1 319.445 3.649 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(N2CCCC2)nc1 ZINC000512035908 340346132 /nfs/dbraw/zinc/34/61/32/340346132.db2.gz ABTQIBOYWOGSEQ-UHFFFAOYSA-N 1 1 321.468 3.913 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)C1CCCCC1 ZINC000512556850 340366719 /nfs/dbraw/zinc/36/67/19/340366719.db2.gz HOBBAEFMKBARQG-LJQANCHMSA-N 1 1 319.493 3.783 20 30 DHEDMO C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)[N@H+]1CCCC[C@H]1C ZINC000512621555 340369568 /nfs/dbraw/zinc/36/95/68/340369568.db2.gz ZGWWLJLOGRTABJ-KFWWJZLASA-N 1 1 303.425 3.611 20 30 DHEDMO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)N1CCCC[C@H]1C ZINC000512621555 340369569 /nfs/dbraw/zinc/36/95/69/340369569.db2.gz ZGWWLJLOGRTABJ-KFWWJZLASA-N 1 1 303.425 3.611 20 30 DHEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000512710698 340373894 /nfs/dbraw/zinc/37/38/94/340373894.db2.gz XZSNCGSAOCEPNC-IBGZPJMESA-N 1 1 306.409 3.774 20 30 DHEDMO C[N@@H+](CCCC(C)(C)C#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174826481 340396894 /nfs/dbraw/zinc/39/68/94/340396894.db2.gz YZZWZTHWEQXVNH-UHFFFAOYSA-N 1 1 323.481 3.648 20 30 DHEDMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000174834934 340397095 /nfs/dbraw/zinc/39/70/95/340397095.db2.gz AJWXQLMEOMNUGI-OAHLLOKOSA-N 1 1 323.481 3.696 20 30 DHEDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000513235556 340398819 /nfs/dbraw/zinc/39/88/19/340398819.db2.gz CQLMBGYAQUBXPV-KXBFYZLASA-N 1 1 319.408 3.580 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)CCc1ccccc1 ZINC000542519472 341011857 /nfs/dbraw/zinc/01/18/57/341011857.db2.gz URNDVZUIBBRDQY-QGZVFWFLSA-N 1 1 301.455 3.730 20 30 DHEDMO COCC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(C)o1 ZINC000542578569 341014304 /nfs/dbraw/zinc/01/43/04/341014304.db2.gz OIYUAMVRPRXOBT-QGZVFWFLSA-N 1 1 317.816 3.960 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000543135425 341033570 /nfs/dbraw/zinc/03/35/70/341033570.db2.gz ILCHOXQCPYOTBP-HXUWFJFHSA-N 1 1 305.425 3.829 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(OCCCC#N)c1 ZINC000130757966 341040930 /nfs/dbraw/zinc/04/09/30/341040930.db2.gz ZZBFJJQOWMIOCD-UHFFFAOYSA-N 1 1 319.408 3.873 20 30 DHEDMO C[C@H](c1ccccc1F)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000072073587 341060877 /nfs/dbraw/zinc/06/08/77/341060877.db2.gz SREZFGSHMYRMKJ-OAHLLOKOSA-N 1 1 309.388 3.581 20 30 DHEDMO C[N@@H+](Cc1c[nH]nc1-c1ccccc1)Cc1ccc(C#N)cc1 ZINC000131171164 341063688 /nfs/dbraw/zinc/06/36/88/341063688.db2.gz TZOIHYQWGHCUQA-UHFFFAOYSA-N 1 1 302.381 3.580 20 30 DHEDMO C=CCOc1ccccc1C[N@H+](CCO)Cc1ccc(C)cc1 ZINC000544031460 341067350 /nfs/dbraw/zinc/06/73/50/341067350.db2.gz IKOGCENPYFQSIK-UHFFFAOYSA-N 1 1 311.425 3.554 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)[C@@H](C)C(C)C ZINC000072635931 341094699 /nfs/dbraw/zinc/09/46/99/341094699.db2.gz LBZXMXSKDKFMHU-AWEZNQCLSA-N 1 1 319.474 3.607 20 30 DHEDMO COC(=O)c1cccc(C[NH2+][C@@H](C)c2c(C)cccc2C)c1C#N ZINC000546223159 341157663 /nfs/dbraw/zinc/15/76/63/341157663.db2.gz BFZBKSVBJQIPOI-HNNXBMFYSA-N 1 1 322.408 3.813 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)c(C#N)c1 ZINC000134987017 341228093 /nfs/dbraw/zinc/22/80/93/341228093.db2.gz HETVRHMKWANWHO-UHFFFAOYSA-N 1 1 319.408 3.851 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1C#N ZINC000135008953 341228693 /nfs/dbraw/zinc/22/86/93/341228693.db2.gz ZIUZVGXKJSCBOK-UHFFFAOYSA-N 1 1 319.408 3.849 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(OC)c(C#N)c3)C2)cc1 ZINC000135017901 341228944 /nfs/dbraw/zinc/22/89/44/341228944.db2.gz RCZGPIVDULEEAE-KRWDZBQOSA-N 1 1 322.408 3.565 20 30 DHEDMO C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1cccc(C#N)c1 ZINC000548307560 341255462 /nfs/dbraw/zinc/25/54/62/341255462.db2.gz GCUIBKGPRHIGKX-GFCCVEGCSA-N 1 1 324.815 3.949 20 30 DHEDMO CC[N@@H+](CCC1CCN(c2ccncc2C#N)CC1)CC(C)C ZINC000548491087 341263982 /nfs/dbraw/zinc/26/39/82/341263982.db2.gz DBMMNHHMIVEAAP-UHFFFAOYSA-N 1 1 314.477 3.538 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)cs2)o1 ZINC000137065814 341271548 /nfs/dbraw/zinc/27/15/48/341271548.db2.gz ZPMJMYPTYVZNNX-HNNXBMFYSA-N 1 1 302.399 3.696 20 30 DHEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)cs2)o1 ZINC000137065814 341271549 /nfs/dbraw/zinc/27/15/49/341271549.db2.gz ZPMJMYPTYVZNNX-HNNXBMFYSA-N 1 1 302.399 3.696 20 30 DHEDMO N#CC1(c2ccccn2)CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000548791639 341275749 /nfs/dbraw/zinc/27/57/49/341275749.db2.gz IZLQHCYCFWQJDN-UHFFFAOYSA-N 1 1 317.845 3.854 20 30 DHEDMO CC(C)c1ccc(C[NH+]2CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000549346181 341291858 /nfs/dbraw/zinc/29/18/58/341291858.db2.gz VTJHBEKUHVJYDG-QUCCMNQESA-N 1 1 311.473 3.620 20 30 DHEDMO C=CCOCC[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000549545451 341296978 /nfs/dbraw/zinc/29/69/78/341296978.db2.gz TVZBTAOCJKVFRT-NSHDSACASA-N 1 1 316.264 3.850 20 30 DHEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000549545451 341296979 /nfs/dbraw/zinc/29/69/79/341296979.db2.gz TVZBTAOCJKVFRT-NSHDSACASA-N 1 1 316.264 3.850 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000081574065 341297305 /nfs/dbraw/zinc/29/73/05/341297305.db2.gz FESDLPXDCGDQLS-YWZLYKJASA-N 1 1 322.408 3.639 20 30 DHEDMO C=CCC(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000551147929 341332507 /nfs/dbraw/zinc/33/25/07/341332507.db2.gz KNISLPAKTGRWIH-IAGOWNOFSA-N 1 1 306.494 3.702 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H]1c1cccs1 ZINC000249312395 341396287 /nfs/dbraw/zinc/39/62/87/341396287.db2.gz IWMCRVPWEDAVMA-GJZGRUSLSA-N 1 1 306.475 3.698 20 30 DHEDMO C=CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1)c1ccccc1 ZINC000249532036 341399022 /nfs/dbraw/zinc/39/90/22/341399022.db2.gz BDPIEAKXBGTOOL-PKOBYXMFSA-N 1 1 314.473 3.537 20 30 DHEDMO COc1cc(C#N)ccc1C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000553338106 341426361 /nfs/dbraw/zinc/42/63/61/341426361.db2.gz SQNLKJGDFKYKQA-UHFFFAOYSA-N 1 1 312.800 3.999 20 30 DHEDMO C=CCC[C@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)c1ccccc1 ZINC000566332807 341554384 /nfs/dbraw/zinc/55/43/84/341554384.db2.gz SNIGDUMNZDQGNH-MJGOQNOKSA-N 1 1 323.440 3.578 20 30 DHEDMO CC[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccccc1 ZINC000568841798 341683216 /nfs/dbraw/zinc/68/32/16/341683216.db2.gz VJUKYWQCAGTRML-GOSISDBHSA-N 1 1 308.381 3.586 20 30 DHEDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1c1cccc(F)c1C#N ZINC000364829409 519879711 /nfs/dbraw/zinc/87/97/11/519879711.db2.gz YXVCPAQWGUUHFF-AWEZNQCLSA-N 1 1 312.392 3.686 20 30 DHEDMO CC(C)c1[nH+]ccn1Cc1ccc(C#N)cc1Br ZINC000182803680 519880118 /nfs/dbraw/zinc/88/01/18/519880118.db2.gz OIEUSSINZJOCIY-UHFFFAOYSA-N 1 1 304.191 3.689 20 30 DHEDMO CC(C)(C)C1=CC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000340190280 534542045 /nfs/dbraw/zinc/54/20/45/534542045.db2.gz GZLBQZZSFWSZJZ-UHFFFAOYSA-N 1 1 311.429 3.565 20 30 DHEDMO CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000247190785 523095044 /nfs/dbraw/zinc/09/50/44/523095044.db2.gz SMHDZWHLHGRXPY-HIFRSBDPSA-N 1 1 317.433 3.607 20 30 DHEDMO CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000247190785 523095052 /nfs/dbraw/zinc/09/50/52/523095052.db2.gz SMHDZWHLHGRXPY-HIFRSBDPSA-N 1 1 317.433 3.607 20 30 DHEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NCc3cc(C#N)n(C)c3)cc2)C1 ZINC000190820261 524095483 /nfs/dbraw/zinc/09/54/83/524095483.db2.gz AHEFPGVRQIWTFQ-INIZCTEOSA-N 1 1 322.456 3.741 20 30 DHEDMO Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1C ZINC000189348797 524589684 /nfs/dbraw/zinc/58/96/84/524589684.db2.gz BGWQHDLEZUFQDC-MRXNPFEDSA-N 1 1 321.424 3.807 20 30 DHEDMO Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1C ZINC000189348797 524589692 /nfs/dbraw/zinc/58/96/92/524589692.db2.gz BGWQHDLEZUFQDC-MRXNPFEDSA-N 1 1 321.424 3.807 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]2CCCC[C@H]12 ZINC000182477624 525037007 /nfs/dbraw/zinc/03/70/07/525037007.db2.gz LSRKWEHFTWTSTQ-XYPHTWIQSA-N 1 1 322.412 3.619 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000265212505 526636485 /nfs/dbraw/zinc/63/64/85/526636485.db2.gz MBNMPCVLCVFAQW-HXUWFJFHSA-N 1 1 324.399 3.569 20 30 DHEDMO Cn1cc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)cc1C#N ZINC000191416508 527205611 /nfs/dbraw/zinc/20/56/11/527205611.db2.gz SVJYJLKFPMCFCT-HNNXBMFYSA-N 1 1 311.454 3.511 20 30 DHEDMO Cc1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)s1 ZINC000517783651 1013072238 /nfs/dbraw/zinc/07/22/38/1013072238.db2.gz UQKUMPRZXHQHKO-UHFFFAOYSA-N 1 1 300.427 3.577 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)c2ccncc2)c(F)c1 ZINC000336875598 1013100932 /nfs/dbraw/zinc/10/09/32/1013100932.db2.gz JHXHJKZZYZHRHR-HXUWFJFHSA-N 1 1 317.367 3.972 20 30 DHEDMO C=CC[N@H+](CCCC(=O)Nc1ccccc1C(C)=O)C(C)C ZINC000846776176 1032064213 /nfs/dbraw/zinc/06/42/13/1032064213.db2.gz MBFAHOLWPMMKGU-UHFFFAOYSA-N 1 1 302.418 3.504 20 30 DHEDMO Cc1cccc2c1ncc(C#N)c2NCCC[N@@H+]1CCCC[C@H]1C ZINC000610245507 1013165896 /nfs/dbraw/zinc/16/58/96/1013165896.db2.gz KXDRPIXYKLKSJZ-MRXNPFEDSA-N 1 1 322.456 3.513 20 30 DHEDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccc(C#N)c1 ZINC001167964071 1013196628 /nfs/dbraw/zinc/19/66/28/1013196628.db2.gz MTFDWPATFGVRTH-LRLLJDFBSA-N 1 1 309.457 3.614 20 30 DHEDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(C#N)c1 ZINC001167964071 1013196634 /nfs/dbraw/zinc/19/66/34/1013196634.db2.gz MTFDWPATFGVRTH-LRLLJDFBSA-N 1 1 309.457 3.614 20 30 DHEDMO C=CCCCCCC[N@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001209432108 1013273153 /nfs/dbraw/zinc/27/31/53/1013273153.db2.gz ZFQNHGZAEJGEBL-UONOGXRCSA-N 1 1 311.363 3.850 20 30 DHEDMO C=CCCCCC[N@@H+]1CC[C@](F)(CNC(=O)OC(C)(C)C)C1 ZINC001209432575 1013275295 /nfs/dbraw/zinc/27/52/95/1013275295.db2.gz HFJXHUGZOUPKHY-KRWDZBQOSA-N 1 1 314.445 3.672 20 30 DHEDMO C=CCCCCCCC[N@H+]1CCCN(c2ncccn2)CC1 ZINC001209439490 1013286258 /nfs/dbraw/zinc/28/62/58/1013286258.db2.gz RGXIZDNPKHNXPW-UHFFFAOYSA-N 1 1 302.466 3.515 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1nc(-c2ccccc2)no1 ZINC000519504783 1013337027 /nfs/dbraw/zinc/33/70/27/1013337027.db2.gz LWBZFALUBAOELW-UHFFFAOYSA-N 1 1 319.408 3.967 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nc(-c2ccccc2)no1 ZINC000519504783 1013337038 /nfs/dbraw/zinc/33/70/38/1013337038.db2.gz LWBZFALUBAOELW-UHFFFAOYSA-N 1 1 319.408 3.967 20 30 DHEDMO C#CC[N@H+](C[C@H](O)CCc1ccccc1)[C@@H]1CCc2ccccc21 ZINC001167179040 1013363219 /nfs/dbraw/zinc/36/32/19/1013363219.db2.gz TVFPWYMWSOUNRP-IFMALSPDSA-N 1 1 319.448 3.603 20 30 DHEDMO C=CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000058933131 1013365741 /nfs/dbraw/zinc/36/57/41/1013365741.db2.gz KQSCKORAWBHNSD-UHFFFAOYSA-N 1 1 312.369 3.662 20 30 DHEDMO COc1cccc(COc2ccc(C[NH2+]C[C@@H](C)C#N)cc2)c1 ZINC000894453684 1013370442 /nfs/dbraw/zinc/37/04/42/1013370442.db2.gz WHYRPRROFZMPRD-HNNXBMFYSA-N 1 1 310.397 3.523 20 30 DHEDMO N#CCCCC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000060381409 1013454690 /nfs/dbraw/zinc/45/46/90/1013454690.db2.gz ZLTPGHYEFOJUAB-UHFFFAOYSA-N 1 1 311.404 3.959 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(C(F)(F)F)nn1C ZINC001167273606 1013487947 /nfs/dbraw/zinc/48/79/47/1013487947.db2.gz MXSQLEWUSAHDRA-UHFFFAOYSA-N 1 1 323.362 3.670 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](C)NC(=O)OC(C)(C)C ZINC001167273444 1013488365 /nfs/dbraw/zinc/48/83/65/1013488365.db2.gz GWCKXYCVDVEESC-INIZCTEOSA-N 1 1 318.461 3.630 20 30 DHEDMO CCC(CC)C[N@H+](CCC#N)Cn1cnc2cc(F)c(F)cc21 ZINC000729471660 1013514437 /nfs/dbraw/zinc/51/44/37/1013514437.db2.gz OWAWJAXDJBUYPH-UHFFFAOYSA-N 1 1 320.387 3.924 20 30 DHEDMO CCC(CC)C[N@@H+](CCC#N)Cn1cnc2cc(F)c(F)cc21 ZINC000729471660 1013514446 /nfs/dbraw/zinc/51/44/46/1013514446.db2.gz OWAWJAXDJBUYPH-UHFFFAOYSA-N 1 1 320.387 3.924 20 30 DHEDMO C#Cc1ccc(Nc2cc[nH+]c(CNC(=O)OC(C)(C)C)c2)cc1 ZINC001210114670 1013551855 /nfs/dbraw/zinc/55/18/55/1013551855.db2.gz DXBFVNFVCXMBKK-UHFFFAOYSA-N 1 1 323.396 3.831 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2cccc(OC(C)C)c2)cc1C#N ZINC000535969202 1013602798 /nfs/dbraw/zinc/60/27/98/1013602798.db2.gz MXQXMFPMCUNQGR-UHFFFAOYSA-N 1 1 324.424 3.986 20 30 DHEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CC(=O)N[C@](C)(C#N)C(C)C ZINC000520174785 1013669546 /nfs/dbraw/zinc/66/95/46/1013669546.db2.gz ZVPMCQCBJJEDHN-PKOBYXMFSA-N 1 1 315.461 3.514 20 30 DHEDMO CC(C)C[N@@H+](CC(=O)Nc1ccccc1)Cc1ccc(C#N)cc1 ZINC000520174003 1013669680 /nfs/dbraw/zinc/66/96/80/1013669680.db2.gz NIQQONPEDMXCLH-UHFFFAOYSA-N 1 1 321.424 3.655 20 30 DHEDMO C=CCOc1ccccc1CNCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000520201736 1013676252 /nfs/dbraw/zinc/67/62/52/1013676252.db2.gz HEVICANFTUNAQA-QGZVFWFLSA-N 1 1 316.489 3.852 20 30 DHEDMO C=CCOc1ccccc1C[NH2+]CC(C)(C)N1CCC[C@@H](C)C1 ZINC000520201736 1013676256 /nfs/dbraw/zinc/67/62/56/1013676256.db2.gz HEVICANFTUNAQA-QGZVFWFLSA-N 1 1 316.489 3.852 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cs1 ZINC000894912593 1013740109 /nfs/dbraw/zinc/74/01/09/1013740109.db2.gz HJCYFZPUBHQIID-GOSISDBHSA-N 1 1 324.449 3.973 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cs1 ZINC000894912593 1013740113 /nfs/dbraw/zinc/74/01/13/1013740113.db2.gz HJCYFZPUBHQIID-GOSISDBHSA-N 1 1 324.449 3.973 20 30 DHEDMO Cc1noc(C)c1[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000328657868 1013789984 /nfs/dbraw/zinc/78/99/84/1013789984.db2.gz PXBVQLIMTUOETR-MLGOLLRUSA-N 1 1 319.449 3.758 20 30 DHEDMO Cc1noc(C)c1[C@@H](C)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000328689006 1013793181 /nfs/dbraw/zinc/79/31/81/1013793181.db2.gz QGEHAJRTDYEWRJ-RJPYNODJSA-N 1 1 319.449 3.757 20 30 DHEDMO CC[N@H+]1CCC[C@H](NC(=O)c2coc(C3CCCCC3)n2)C1 ZINC000328702641 1013793965 /nfs/dbraw/zinc/79/39/65/1013793965.db2.gz XILBWJHRWHXLFZ-AWEZNQCLSA-N 1 1 305.422 3.511 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ncoc2C2CC2)C1 ZINC000328807087 1013796382 /nfs/dbraw/zinc/79/63/82/1013796382.db2.gz DKEDNZHNURZBKY-BETUJISGSA-N 1 1 319.449 3.613 20 30 DHEDMO CC(C)[N@H+](Cc1cccs1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000049028820 1013802437 /nfs/dbraw/zinc/80/24/37/1013802437.db2.gz FLHKHZFCJHDSAE-QGZVFWFLSA-N 1 1 300.427 3.564 20 30 DHEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc(C(C)(C)C)on2)C1 ZINC000330906888 1013846744 /nfs/dbraw/zinc/84/67/44/1013846744.db2.gz SPNGWPNLYZPKPP-CYBMUJFWSA-N 1 1 321.465 3.787 20 30 DHEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(F)c(C#N)c2)C1 ZINC000330941339 1013848198 /nfs/dbraw/zinc/84/81/98/1013848198.db2.gz DCDUHUDODXKMEV-ZDUSSCGKSA-N 1 1 317.408 3.512 20 30 DHEDMO CC1(C)C[N@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000580009449 1013865326 /nfs/dbraw/zinc/86/53/26/1013865326.db2.gz GFVXFSCCPVFFPB-DLBZAZTESA-N 1 1 303.833 3.581 20 30 DHEDMO CC1(C)C[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000580009449 1013865334 /nfs/dbraw/zinc/86/53/34/1013865334.db2.gz GFVXFSCCPVFFPB-DLBZAZTESA-N 1 1 303.833 3.581 20 30 DHEDMO C=CCC1(c2nc(CCCCn3c[nH+]c(C)c3C)no2)CCC1 ZINC000656038899 1013943766 /nfs/dbraw/zinc/94/37/66/1013943766.db2.gz FWIVMFORZSUEBF-UHFFFAOYSA-N 1 1 314.433 3.904 20 30 DHEDMO C[C@@H]([NH2+]Cc1nccn1Cc1ccccc1)c1cccc(C#N)c1 ZINC000610345282 1013953414 /nfs/dbraw/zinc/95/34/14/1013953414.db2.gz ZMYWXYAZQOKNBC-MRXNPFEDSA-N 1 1 316.408 3.654 20 30 DHEDMO C#CCCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000766923619 1022609609 /nfs/dbraw/zinc/60/96/09/1022609609.db2.gz KNPKYVSEIDGHHF-NSHDSACASA-N 1 1 302.365 3.755 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000683793246 1014012510 /nfs/dbraw/zinc/01/25/10/1014012510.db2.gz WAHAQKLAEJFEFL-CQSZACIVSA-N 1 1 320.234 3.637 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cn2cc(Br)ccc2n1 ZINC000683793246 1014012518 /nfs/dbraw/zinc/01/25/18/1014012518.db2.gz WAHAQKLAEJFEFL-CQSZACIVSA-N 1 1 320.234 3.637 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc2ccccc2o1 ZINC000561794689 1032080095 /nfs/dbraw/zinc/08/00/95/1032080095.db2.gz VQWCQURJOAZXMP-UHFFFAOYSA-N 1 1 320.392 3.953 20 30 DHEDMO N#CCCCC[N@@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932254829 1025504199 /nfs/dbraw/zinc/50/41/99/1025504199.db2.gz FHSOLDMFMFPHDX-CQSZACIVSA-N 1 1 308.223 3.675 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000175818511 1014155084 /nfs/dbraw/zinc/15/50/84/1014155084.db2.gz FNVSPGZYWLGFFI-IAGOWNOFSA-N 1 1 312.438 3.708 20 30 DHEDMO C=CC[N@H+](Cc1cnc2c(C)cc(Br)cn12)C1CC1 ZINC000350264902 1014175537 /nfs/dbraw/zinc/17/55/37/1014175537.db2.gz LLSBSYOSZGUXNV-UHFFFAOYSA-N 1 1 320.234 3.556 20 30 DHEDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075716459 1014215574 /nfs/dbraw/zinc/21/55/74/1014215574.db2.gz ZPGFHUXKESLYLH-HNNXBMFYSA-N 1 1 310.401 3.619 20 30 DHEDMO N#Cc1cccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000380193075 1014302971 /nfs/dbraw/zinc/30/29/71/1014302971.db2.gz QCUKTPOAOFNFAW-HLAWJBBLSA-N 1 1 317.436 3.881 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000614578743 1014326578 /nfs/dbraw/zinc/32/65/78/1014326578.db2.gz ZHVASXPUYXWAFN-LJQANCHMSA-N 1 1 312.457 3.879 20 30 DHEDMO CC(C)C[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000441550554 1014327504 /nfs/dbraw/zinc/32/75/04/1014327504.db2.gz SAQUUZQFBJDOHP-MRXNPFEDSA-N 1 1 310.401 3.619 20 30 DHEDMO Cc1ccnc([C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)c1 ZINC000580783221 1014347464 /nfs/dbraw/zinc/34/74/64/1014347464.db2.gz PEMCXHTWMSOAQF-KRWDZBQOSA-N 1 1 310.828 3.884 20 30 DHEDMO C=CC[N@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000121251126 1014360053 /nfs/dbraw/zinc/36/00/53/1014360053.db2.gz RUGKFQIECHSEIM-UHFFFAOYSA-N 1 1 318.218 3.524 20 30 DHEDMO C[N@@H+]1CC[C@@H](NCC#Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000581026317 1014518998 /nfs/dbraw/zinc/51/89/98/1014518998.db2.gz XVONKYGMAYADQS-UXHICEINSA-N 1 1 324.855 3.727 20 30 DHEDMO C[N@H+]1CC[C@@H](NCC#Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000581026317 1014519008 /nfs/dbraw/zinc/51/90/08/1014519008.db2.gz XVONKYGMAYADQS-UXHICEINSA-N 1 1 324.855 3.727 20 30 DHEDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1OCC ZINC000126305624 1014637555 /nfs/dbraw/zinc/63/75/55/1014637555.db2.gz BGLBYIGXSPDVDX-UHFFFAOYSA-N 1 1 324.424 3.988 20 30 DHEDMO COc1cc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)ccc1C#N ZINC000442802560 1014739706 /nfs/dbraw/zinc/73/97/06/1014739706.db2.gz QAIBVKQTOBTHQM-UHFFFAOYSA-N 1 1 322.383 3.995 20 30 DHEDMO COc1cc(C[N@H+](Cc2ccccc2F)C2CC2)ccc1C#N ZINC000442808280 1014741470 /nfs/dbraw/zinc/74/14/70/1014741470.db2.gz HBFONFXAZYTALC-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO COc1cc(C[N@@H+](Cc2ccccc2F)C2CC2)ccc1C#N ZINC000442808280 1014741477 /nfs/dbraw/zinc/74/14/77/1014741477.db2.gz HBFONFXAZYTALC-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000442887338 1014762633 /nfs/dbraw/zinc/76/26/33/1014762633.db2.gz XVMYPWSRULJHJF-GOSISDBHSA-N 1 1 322.408 3.913 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000442892828 1014764567 /nfs/dbraw/zinc/76/45/67/1014764567.db2.gz FUEBHCWOIQMSHM-LAUBAEHRSA-N 1 1 320.436 3.953 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000442892828 1014764579 /nfs/dbraw/zinc/76/45/79/1014764579.db2.gz FUEBHCWOIQMSHM-LAUBAEHRSA-N 1 1 320.436 3.953 20 30 DHEDMO CC(C)C[N@H+](CCC#N)Cc1cnc(N(C)C)c2ccccc12 ZINC001167458739 1014783177 /nfs/dbraw/zinc/78/31/77/1014783177.db2.gz WKEUHZGSKGIVKM-UHFFFAOYSA-N 1 1 310.445 3.672 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)Cc1cnc(N(C)C)c2ccccc12 ZINC001167458739 1014783185 /nfs/dbraw/zinc/78/31/85/1014783185.db2.gz WKEUHZGSKGIVKM-UHFFFAOYSA-N 1 1 310.445 3.672 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2ccc(F)c(Cl)c2)ccc1C#N ZINC000443070616 1014800527 /nfs/dbraw/zinc/80/05/27/1014800527.db2.gz RCSDMPANASVHFS-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO N#Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000267422774 1014932802 /nfs/dbraw/zinc/93/28/02/1014932802.db2.gz UWFPIWVCLNWFIA-IHWFROFDSA-N 1 1 318.424 3.561 20 30 DHEDMO CCCC[N@@H+](CC)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000051281132 1014989961 /nfs/dbraw/zinc/98/99/61/1014989961.db2.gz IRWDNXIJFQWCRP-UHFFFAOYSA-N 1 1 315.461 3.672 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931365532 1032108902 /nfs/dbraw/zinc/10/89/02/1032108902.db2.gz LGEPLWYQSRTGEN-KRWDZBQOSA-N 1 1 316.408 3.814 20 30 DHEDMO C[N@H+](Cc1cccc(OC(F)F)c1)Cc1cc(C#N)ccc1F ZINC000064992621 1015084609 /nfs/dbraw/zinc/08/46/09/1015084609.db2.gz IIWKBEMRVLYWHP-UHFFFAOYSA-N 1 1 320.314 3.931 20 30 DHEDMO C[N@@H+](Cc1cccc(OC(F)F)c1)Cc1cc(C#N)ccc1F ZINC000064992621 1015084615 /nfs/dbraw/zinc/08/46/15/1015084615.db2.gz IIWKBEMRVLYWHP-UHFFFAOYSA-N 1 1 320.314 3.931 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CN[C@H](C)c1cnc(C)s1)C(C)C ZINC000090402436 1015177928 /nfs/dbraw/zinc/17/79/28/1015177928.db2.gz MGOOLGWXIJVJOS-ZBFHGGJFSA-N 1 1 307.507 3.801 20 30 DHEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OCC ZINC000895598859 1015220104 /nfs/dbraw/zinc/22/01/04/1015220104.db2.gz VXKQLCIUCBIKOE-UPJWGTAASA-N 1 1 307.356 3.595 20 30 DHEDMO C=C(C)C[C@H]([NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)C(=O)OCC ZINC000895598715 1015220908 /nfs/dbraw/zinc/22/09/08/1015220908.db2.gz UPRLAUHEKYZYAB-NJAFHUGGSA-N 1 1 316.445 3.595 20 30 DHEDMO C=C(C)C[C@H]([NH2+]C1CCC(OC2CCCC2)CC1)C(=O)OCC ZINC000895591865 1015222372 /nfs/dbraw/zinc/22/23/72/1015222372.db2.gz ISYPYYKDBIGKNP-VJFUWPCTSA-N 1 1 323.477 3.744 20 30 DHEDMO N#Cc1cc(C[NH+]2CCC(Cc3nccs3)CC2)cs1 ZINC000895736350 1015287476 /nfs/dbraw/zinc/28/74/76/1015287476.db2.gz LSZNXYQQIQCXKT-UHFFFAOYSA-N 1 1 303.456 3.531 20 30 DHEDMO Cc1nn(C(C)C)c(C)c1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000895784970 1015301542 /nfs/dbraw/zinc/30/15/42/1015301542.db2.gz AEVCDISSUGMMJX-UHFFFAOYSA-N 1 1 310.445 3.627 20 30 DHEDMO Cn1cc(C[N@@H+](C)CCc2cccc(C#N)c2)c(C2CCCC2)n1 ZINC000895786629 1015301603 /nfs/dbraw/zinc/30/16/03/1015301603.db2.gz XOBVNNBEWTVIBX-UHFFFAOYSA-N 1 1 322.456 3.624 20 30 DHEDMO COc1cccc2sc(NC(=O)C[NH+]3CCC(C)CC3)nc21 ZINC000051210011 1015303047 /nfs/dbraw/zinc/30/30/47/1015303047.db2.gz CSQUCIWPWHXDCN-UHFFFAOYSA-N 1 1 319.430 3.625 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000895834453 1015325743 /nfs/dbraw/zinc/32/57/43/1015325743.db2.gz LLCWAULNBAEJAW-UHFFFAOYSA-N 1 1 305.365 3.670 20 30 DHEDMO CC(C)c1cc([C@H]2CCC[N@H+](Cc3csc(C#N)c3)C2)n[nH]1 ZINC000895927476 1015366608 /nfs/dbraw/zinc/36/66/08/1015366608.db2.gz LBXJRVJAVBYOAI-AWEZNQCLSA-N 1 1 314.458 3.846 20 30 DHEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3csc(C#N)c3)C2)n[nH]1 ZINC000895927476 1015366613 /nfs/dbraw/zinc/36/66/13/1015366613.db2.gz LBXJRVJAVBYOAI-AWEZNQCLSA-N 1 1 314.458 3.846 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1cc(I)cs1 ZINC001141864351 1015422809 /nfs/dbraw/zinc/42/28/09/1015422809.db2.gz FYDPYGUDAHQGON-UHFFFAOYSA-N 1 1 321.227 3.751 20 30 DHEDMO C[C@H]1CC([NH+]2CCC(C#N)CC2)C[C@H](C)N1Cc1ccccc1 ZINC001168039024 1015495082 /nfs/dbraw/zinc/49/50/82/1015495082.db2.gz AYSYVHMSZIMLLY-IRXDYDNUSA-N 1 1 311.473 3.664 20 30 DHEDMO C=C(C)CCc1noc(C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000896280454 1015532789 /nfs/dbraw/zinc/53/27/89/1015532789.db2.gz ICSQBIYWQNMAOY-OAHLLOKOSA-N 1 1 308.385 3.676 20 30 DHEDMO CC[N@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@@H](C)C#N ZINC000107299495 1032118447 /nfs/dbraw/zinc/11/84/47/1032118447.db2.gz JKFHEIMREJSFOC-LBPRGKRZSA-N 1 1 300.324 3.566 20 30 DHEDMO CC[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@@H](C)C#N ZINC000107299495 1032118459 /nfs/dbraw/zinc/11/84/59/1032118459.db2.gz JKFHEIMREJSFOC-LBPRGKRZSA-N 1 1 300.324 3.566 20 30 DHEDMO C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(C#N)cc1Cl ZINC000367438744 1015587442 /nfs/dbraw/zinc/58/74/42/1015587442.db2.gz OXQNMBXWSLXUHX-LBPRGKRZSA-N 1 1 314.820 3.595 20 30 DHEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000933769667 1015657253 /nfs/dbraw/zinc/65/72/53/1015657253.db2.gz BVHSJJFTIONEBW-FUHWJXTLSA-N 1 1 312.438 3.972 20 30 DHEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(-c2cccs2)on1 ZINC000329207438 1015659279 /nfs/dbraw/zinc/65/92/79/1015659279.db2.gz FEOWCCMDJKZTPX-GFCCVEGCSA-N 1 1 319.430 3.582 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCc2c1cccc2O ZINC000329313011 1015682678 /nfs/dbraw/zinc/68/26/78/1015682678.db2.gz APVXKZSUHCUVMM-CJNGLKHVSA-N 1 1 302.418 3.601 20 30 DHEDMO C[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1cccc(C#N)c1 ZINC000341773474 1015727986 /nfs/dbraw/zinc/72/79/86/1015727986.db2.gz DHQNHRNRKYVLPV-LBPRGKRZSA-N 1 1 310.788 3.710 20 30 DHEDMO CCC(CC)C[N@@H+](CC)CCC(=O)Nc1ccccc1C#N ZINC000098110840 1015755853 /nfs/dbraw/zinc/75/58/53/1015755853.db2.gz BRYZWOHFSOFZAC-UHFFFAOYSA-N 1 1 301.434 3.645 20 30 DHEDMO C=C[C@@H](CC)CC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001126789677 1032130139 /nfs/dbraw/zinc/13/01/39/1032130139.db2.gz ACYLAKGXPDUXCC-IRXDYDNUSA-N 1 1 302.462 3.616 20 30 DHEDMO CC[C@@H](c1ccc(F)cc1F)[NH+]1CCC(C#N)(COC)CC1 ZINC000341981235 1015862204 /nfs/dbraw/zinc/86/22/04/1015862204.db2.gz BNDKWZFRHQQVNS-INIZCTEOSA-N 1 1 308.372 3.668 20 30 DHEDMO C=C1CC[NH+](CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC1 ZINC000341996715 1015865392 /nfs/dbraw/zinc/86/53/92/1015865392.db2.gz HYFZWWGZQPLWLE-UHFFFAOYSA-N 1 1 318.436 3.605 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000341998799 1015867942 /nfs/dbraw/zinc/86/79/42/1015867942.db2.gz VQFFFCBSWLRORH-CXAGYDPISA-N 1 1 324.415 3.819 20 30 DHEDMO CC(C)[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000535825578 1015895542 /nfs/dbraw/zinc/89/55/42/1015895542.db2.gz HBCFMFCJEHCEFR-GOSISDBHSA-N 1 1 322.456 3.942 20 30 DHEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000535851382 1015925832 /nfs/dbraw/zinc/92/58/32/1015925832.db2.gz WNIJUKKQXCATOX-HNNXBMFYSA-N 1 1 308.466 3.760 20 30 DHEDMO Cn1nc(C[NH2+][C@H](CCC#N)c2ccccc2)c2ccccc21 ZINC000610972163 1015971510 /nfs/dbraw/zinc/97/15/10/1015971510.db2.gz FYPBEDRDZWXGEM-QGZVFWFLSA-N 1 1 304.397 3.708 20 30 DHEDMO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1ccnc(C#N)c1 ZINC000610991843 1015991064 /nfs/dbraw/zinc/99/10/64/1015991064.db2.gz TWJRNPLFSTUYBC-UHFFFAOYSA-N 1 1 315.804 3.508 20 30 DHEDMO COc1ccc(C[N@@H+]2CCc3cc(F)ccc3[C@@H]2C)cc1C#N ZINC000610993535 1015999100 /nfs/dbraw/zinc/99/91/00/1015999100.db2.gz WPKLFOBPAOTYCI-ZDUSSCGKSA-N 1 1 310.372 3.825 20 30 DHEDMO COc1ccc(C[N@H+]2CCc3cc(F)ccc3[C@@H]2C)cc1C#N ZINC000610993535 1015999103 /nfs/dbraw/zinc/99/91/03/1015999103.db2.gz WPKLFOBPAOTYCI-ZDUSSCGKSA-N 1 1 310.372 3.825 20 30 DHEDMO CC(C)C[N@@H+](CCCSCC#N)Cc1ccc(C#N)cc1 ZINC000342099565 1016000092 /nfs/dbraw/zinc/00/00/92/1016000092.db2.gz NDOXRIXPJDUXBY-UHFFFAOYSA-N 1 1 301.459 3.663 20 30 DHEDMO C=C(Br)C[N@@H+](C)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001167533777 1016306763 /nfs/dbraw/zinc/30/67/63/1016306763.db2.gz LEKAPAWZTQRMDK-ZIAGYGMSSA-N 1 1 316.283 3.955 20 30 DHEDMO C=C(Br)C[N@H+](C)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001167533777 1016306770 /nfs/dbraw/zinc/30/67/70/1016306770.db2.gz LEKAPAWZTQRMDK-ZIAGYGMSSA-N 1 1 316.283 3.955 20 30 DHEDMO CCCCCCCC[N@@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934274422 1016348933 /nfs/dbraw/zinc/34/89/33/1016348933.db2.gz TWUBXKIROFABFF-AWEZNQCLSA-N 1 1 307.438 3.688 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934274422 1016348938 /nfs/dbraw/zinc/34/89/38/1016348938.db2.gz TWUBXKIROFABFF-AWEZNQCLSA-N 1 1 307.438 3.688 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CC1CCCC1 ZINC000475048495 1016460495 /nfs/dbraw/zinc/46/04/95/1016460495.db2.gz PKLVTPROQSFORR-IBGZPJMESA-N 1 1 300.446 3.710 20 30 DHEDMO C[C@@H]1C[C@H](CCNc2cccnc2C#N)C[N@H+]1Cc1ccccc1 ZINC000582214111 1016504663 /nfs/dbraw/zinc/50/46/63/1016504663.db2.gz UTBOVXGCUQKRGG-AEFFLSMTSA-N 1 1 320.440 3.666 20 30 DHEDMO CCC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000120038348 1016552048 /nfs/dbraw/zinc/55/20/48/1016552048.db2.gz MVTDACCQMDGHFX-INIZCTEOSA-N 1 1 321.424 3.797 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000347250710 1016819210 /nfs/dbraw/zinc/81/92/10/1016819210.db2.gz GXTQQXVFWLYILB-SFHVURJKSA-N 1 1 324.449 3.857 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000347250710 1016819222 /nfs/dbraw/zinc/81/92/22/1016819222.db2.gz GXTQQXVFWLYILB-SFHVURJKSA-N 1 1 324.449 3.857 20 30 DHEDMO N#CC1(CCCC[N@@H+]2Cc3ncccc3N3CCC[C@H]3C2)CCC1 ZINC000934493270 1016831506 /nfs/dbraw/zinc/83/15/06/1016831506.db2.gz KWVOEVRTPZNNOU-KRWDZBQOSA-N 1 1 324.472 3.730 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2ccc(F)nc2)cc1 ZINC000588524129 1016830401 /nfs/dbraw/zinc/83/04/01/1016830401.db2.gz WPBXGTNVRAXSJZ-WAPJZHGLSA-N 1 1 307.328 3.611 20 30 DHEDMO N#Cc1cccc(OCCC[N@@H+]2CC=C(c3cccnc3)CC2)c1 ZINC000361907504 1032151390 /nfs/dbraw/zinc/15/13/90/1032151390.db2.gz KSTLKMIUKBILCT-UHFFFAOYSA-N 1 1 319.408 3.511 20 30 DHEDMO CCC[N@@H+](Cc1cnc2ccccn12)Cc1ccc(C#N)cc1 ZINC000158498238 1016922741 /nfs/dbraw/zinc/92/27/41/1016922741.db2.gz LZNNJUXISCPYQN-UHFFFAOYSA-N 1 1 304.397 3.618 20 30 DHEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccccc3F)s2)C1 ZINC000847020937 1032181979 /nfs/dbraw/zinc/18/19/79/1032181979.db2.gz GTVMTVBPUWCIJF-OLZOCXBDSA-N 1 1 315.417 3.750 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccccc3F)s2)C1 ZINC000847020937 1032181987 /nfs/dbraw/zinc/18/19/87/1032181987.db2.gz GTVMTVBPUWCIJF-OLZOCXBDSA-N 1 1 315.417 3.750 20 30 DHEDMO CC1(C#N)CC[NH+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)CC1 ZINC000639574264 1017238822 /nfs/dbraw/zinc/23/88/22/1017238822.db2.gz IXIVWLCGRRUXRH-BETUJISGSA-N 1 1 316.367 3.550 20 30 DHEDMO N#Cc1ccc(C2([NH2+]Cc3nc4ccccc4[nH]3)CCC2)cc1 ZINC000847054386 1032195750 /nfs/dbraw/zinc/19/57/50/1032195750.db2.gz RFPVAAPHRZIKIS-UHFFFAOYSA-N 1 1 302.381 3.604 20 30 DHEDMO C[C@H](CCN[C@H]1CCCc2cc(C#N)ccc21)[NH+]1CCCCC1 ZINC000612422581 1032229109 /nfs/dbraw/zinc/22/91/09/1032229109.db2.gz ANJDAHAGRYCATJ-UZLBHIALSA-N 1 1 311.473 3.790 20 30 DHEDMO C=CCN(CC=C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086430632 1032261787 /nfs/dbraw/zinc/26/17/87/1032261787.db2.gz IVWWGHADFPITHB-HNNXBMFYSA-N 1 1 324.428 3.625 20 30 DHEDMO CC(C)CC[N@@H+](CCC#N)CCC(=O)Nc1cccc(Cl)c1 ZINC000362185978 1032263827 /nfs/dbraw/zinc/26/38/27/1032263827.db2.gz MCOINXQBKVWQJA-UHFFFAOYSA-N 1 1 321.852 3.930 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000794411361 1032289168 /nfs/dbraw/zinc/28/91/68/1032289168.db2.gz DEPAKCKVJUXNQD-WOJBJXKFSA-N 1 1 324.399 3.785 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCc3c(Cl)ccc(OC)c3C2)C1 ZINC001171327124 1032379347 /nfs/dbraw/zinc/37/93/47/1032379347.db2.gz VDSKYQVCBHXUBZ-ZIAGYGMSSA-N 1 1 303.833 3.551 20 30 DHEDMO C=CC[N@@H+](Cc1cnc2nc(C)cc(C)n12)Cc1ccccc1 ZINC000092261518 1032486030 /nfs/dbraw/zinc/48/60/30/1032486030.db2.gz AHWBLVHRPPBGEO-UHFFFAOYSA-N 1 1 306.413 3.534 20 30 DHEDMO C=CC[N@H+](Cc1cnc2nc(C)cc(C)n12)Cc1ccccc1 ZINC000092261518 1032486033 /nfs/dbraw/zinc/48/60/33/1032486033.db2.gz AHWBLVHRPPBGEO-UHFFFAOYSA-N 1 1 306.413 3.534 20 30 DHEDMO C=CC[N@@H+](Cc1c(CC)nn(C)c1CC)Cc1cccc(C#N)c1 ZINC000092504641 1032500916 /nfs/dbraw/zinc/50/09/16/1032500916.db2.gz BCTLJKYKWZVFOH-UHFFFAOYSA-N 1 1 322.456 3.605 20 30 DHEDMO C=CC[N@H+](Cc1c(CC)nn(C)c1CC)Cc1cccc(C#N)c1 ZINC000092504641 1032500923 /nfs/dbraw/zinc/50/09/23/1032500923.db2.gz BCTLJKYKWZVFOH-UHFFFAOYSA-N 1 1 322.456 3.605 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cc1c[nH]nc1-c1cccnc1 ZINC000092505696 1032501696 /nfs/dbraw/zinc/50/16/96/1032501696.db2.gz RMKFDXZCCPKFRJ-UHFFFAOYSA-N 1 1 318.424 3.702 20 30 DHEDMO CC(C)(C)C[N@H+](CCC#N)Cc1c[nH]nc1-c1cccs1 ZINC000093101151 1032522354 /nfs/dbraw/zinc/52/23/54/1032522354.db2.gz LQNOSZGXGATSQR-UHFFFAOYSA-N 1 1 302.447 3.900 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1c[nH]nc1-c1cccs1 ZINC000093101151 1032522362 /nfs/dbraw/zinc/52/23/62/1032522362.db2.gz LQNOSZGXGATSQR-UHFFFAOYSA-N 1 1 302.447 3.900 20 30 DHEDMO C=CCOc1ccccc1[C@@H](C)Nc1nc2[nH]c(C)cc2c[nH+]1 ZINC001171370673 1032526902 /nfs/dbraw/zinc/52/69/02/1032526902.db2.gz YIBSVEVOSBNEPU-CYBMUJFWSA-N 1 1 308.385 3.956 20 30 DHEDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000093317042 1032528877 /nfs/dbraw/zinc/52/88/77/1032528877.db2.gz ROLOMBNTEKCRJS-FUHWJXTLSA-N 1 1 316.445 3.759 20 30 DHEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000359867802 1017314198 /nfs/dbraw/zinc/31/41/98/1017314198.db2.gz BIMVGXYHRQNADB-GUYCJALGSA-N 1 1 305.853 3.516 20 30 DHEDMO CC(C)c1nccnc1N=NC1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000773085627 1032552990 /nfs/dbraw/zinc/55/29/90/1032552990.db2.gz KAVHFTMSSBNIPH-OAHLLOKOSA-N 1 1 323.444 3.662 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000424607309 1012059425 /nfs/dbraw/zinc/05/94/25/1012059425.db2.gz KQMFNKBIHKSDHD-DOTOQJQBSA-N 1 1 300.446 3.540 20 30 DHEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000424626581 1012070514 /nfs/dbraw/zinc/07/05/14/1012070514.db2.gz MNVYHGUWJZVQRY-HNNXBMFYSA-N 1 1 320.502 3.679 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000424661039 1012085300 /nfs/dbraw/zinc/08/53/00/1012085300.db2.gz DUIHRJWVEAIGKV-IAGOWNOFSA-N 1 1 306.494 3.702 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3c2nccc3Cl)c(F)c1 ZINC000924981702 1012299202 /nfs/dbraw/zinc/29/92/02/1012299202.db2.gz XBSQUMFCIMPHDV-HNNXBMFYSA-N 1 1 301.752 3.523 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)NCC(C)(C)CC#N)cc1)C(C)C ZINC000457985864 1012322423 /nfs/dbraw/zinc/32/24/23/1012322423.db2.gz GXWQVTZCCYEZEB-UHFFFAOYSA-N 1 1 315.461 3.587 20 30 DHEDMO Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)c1C ZINC000122885049 1032624486 /nfs/dbraw/zinc/62/44/86/1032624486.db2.gz TWNIDAQJDPISKV-INIZCTEOSA-N 1 1 321.424 3.807 20 30 DHEDMO Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)c1C ZINC000122885049 1032624495 /nfs/dbraw/zinc/62/44/95/1032624495.db2.gz TWNIDAQJDPISKV-INIZCTEOSA-N 1 1 321.424 3.807 20 30 DHEDMO C=CC1CC[NH+](Cc2c(C(F)(F)F)nc3n2CCCC3)CC1 ZINC000638071306 1012407904 /nfs/dbraw/zinc/40/79/04/1012407904.db2.gz CEWMLKFCKPPRGN-UHFFFAOYSA-N 1 1 313.367 3.636 20 30 DHEDMO CCOC(=O)c1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000425366367 1012497228 /nfs/dbraw/zinc/49/72/28/1012497228.db2.gz PMCXBPODENIEIB-CYBMUJFWSA-N 1 1 312.369 3.521 20 30 DHEDMO CCOC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000425366367 1012497239 /nfs/dbraw/zinc/49/72/39/1012497239.db2.gz PMCXBPODENIEIB-CYBMUJFWSA-N 1 1 312.369 3.521 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000425368929 1012502209 /nfs/dbraw/zinc/50/22/09/1012502209.db2.gz YLHKGOQTBWMEQC-QZTJIDSGSA-N 1 1 312.800 3.520 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000425368929 1012502222 /nfs/dbraw/zinc/50/22/22/1012502222.db2.gz YLHKGOQTBWMEQC-QZTJIDSGSA-N 1 1 312.800 3.520 20 30 DHEDMO C=CCC(C)(C)C(=O)N1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001269977869 1012547423 /nfs/dbraw/zinc/54/74/23/1012547423.db2.gz WTDCHUHBRXEMQK-HXUWFJFHSA-N 1 1 318.505 3.846 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1Cl ZINC000537687499 1032643814 /nfs/dbraw/zinc/64/38/14/1032643814.db2.gz IUPQAGNEEOCQLW-WBVHZDCISA-N 1 1 321.848 3.906 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1F ZINC000339710572 1012808474 /nfs/dbraw/zinc/80/84/74/1012808474.db2.gz LQSFDCWDPFFWAX-UHFFFAOYSA-N 1 1 307.372 3.980 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000729851942 1032658283 /nfs/dbraw/zinc/65/82/83/1032658283.db2.gz GDNGDRRPZKIHFW-IBGZPJMESA-N 1 1 310.372 3.661 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000729851942 1032658291 /nfs/dbraw/zinc/65/82/91/1032658291.db2.gz GDNGDRRPZKIHFW-IBGZPJMESA-N 1 1 310.372 3.661 20 30 DHEDMO C[N@H+](Cc1cccc(OCC(F)(F)F)c1)CC(C)(C)C#N ZINC000516986273 1012883888 /nfs/dbraw/zinc/88/38/88/1012883888.db2.gz JCSBGVJOQZEVIC-UHFFFAOYSA-N 1 1 300.324 3.609 20 30 DHEDMO C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)CC(C)(C)C#N ZINC000516986273 1012883903 /nfs/dbraw/zinc/88/39/03/1012883903.db2.gz JCSBGVJOQZEVIC-UHFFFAOYSA-N 1 1 300.324 3.609 20 30 DHEDMO N#Cc1ccc(CS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000517245784 1012943745 /nfs/dbraw/zinc/94/37/45/1012943745.db2.gz BQNIVWCEJRTSBL-LJQANCHMSA-N 1 1 323.465 3.851 20 30 DHEDMO C=CCOc1cccc(CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000517536495 1013007098 /nfs/dbraw/zinc/00/70/98/1013007098.db2.gz OIPZRPALSPKONQ-HDICACEKSA-N 1 1 316.489 3.709 20 30 DHEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000342732909 1017123408 /nfs/dbraw/zinc/12/34/08/1017123408.db2.gz FGTJJWVVXCYMKS-KGLIPLIRSA-N 1 1 300.402 3.506 20 30 DHEDMO C=CCC[N@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000475325115 1017142445 /nfs/dbraw/zinc/14/24/45/1017142445.db2.gz RDEVGVNQTNOBPV-CQSZACIVSA-N 1 1 313.228 3.607 20 30 DHEDMO C[C@@H]1C[C@@H](N(CCC#N)CCC#N)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168061445 1017148247 /nfs/dbraw/zinc/14/82/47/1017148247.db2.gz ILGRGDWRHKGKML-OPVJXMOQSA-N 1 1 324.472 3.557 20 30 DHEDMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000046518611 1017153509 /nfs/dbraw/zinc/15/35/09/1017153509.db2.gz GQFQSEBTTCOHED-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000046518611 1017153513 /nfs/dbraw/zinc/15/35/13/1017153513.db2.gz GQFQSEBTTCOHED-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO C#CCCCCC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000773278619 1032682827 /nfs/dbraw/zinc/68/28/27/1032682827.db2.gz GFCPAQZDQRBTSV-UHFFFAOYSA-N 1 1 319.474 3.651 20 30 DHEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ccc(CC#N)cc2)C1 ZINC000342753807 1017172278 /nfs/dbraw/zinc/17/22/78/1017172278.db2.gz QIUPERSGYKENBJ-FUHIMQAGSA-N 1 1 311.473 3.590 20 30 DHEDMO CC(C)(CCC#N)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160209829 1017210052 /nfs/dbraw/zinc/21/00/52/1017210052.db2.gz TVYVJMSGIAPGPD-KRWDZBQOSA-N 1 1 316.445 3.703 20 30 DHEDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075637870 1017338919 /nfs/dbraw/zinc/33/89/19/1017338919.db2.gz IXGDIKLLLNUCAD-XJKSGUPXSA-N 1 1 310.401 3.619 20 30 DHEDMO COc1cccc(C[N@H+](C)Cc2cccc(C#N)c2)c1OC(C)C ZINC000127292062 1017523092 /nfs/dbraw/zinc/52/30/92/1017523092.db2.gz UTMXFTKPIVDAMD-UHFFFAOYSA-N 1 1 324.424 3.986 20 30 DHEDMO COc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1OC(C)C ZINC000127292062 1017523110 /nfs/dbraw/zinc/52/31/10/1017523110.db2.gz UTMXFTKPIVDAMD-UHFFFAOYSA-N 1 1 324.424 3.986 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccc(Br)cc1C ZINC000444713315 1017630161 /nfs/dbraw/zinc/63/01/61/1017630161.db2.gz GLFQADMAPJLPRL-HNNXBMFYSA-N 1 1 312.251 3.516 20 30 DHEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CCCCC(C)(C)C#N ZINC000444706041 1017641774 /nfs/dbraw/zinc/64/17/74/1017641774.db2.gz MBNSELXHTTYUCI-SFHVURJKSA-N 1 1 302.462 3.896 20 30 DHEDMO C=CC[C@H]1CC[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000625700924 1017778415 /nfs/dbraw/zinc/77/84/15/1017778415.db2.gz NDQAJQCTAZZKTR-ZDUSSCGKSA-N 1 1 317.820 3.831 20 30 DHEDMO C=CC[C@@H]1CC[N@@H+](Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC000625702087 1017780653 /nfs/dbraw/zinc/78/06/53/1017780653.db2.gz NARJLICIRWERPB-LLVKDONJSA-N 1 1 321.783 3.927 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2noc(-c3c(F)cccc3Cl)n2)C1 ZINC000625702087 1017780673 /nfs/dbraw/zinc/78/06/73/1017780673.db2.gz NARJLICIRWERPB-LLVKDONJSA-N 1 1 321.783 3.927 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000625702506 1017781053 /nfs/dbraw/zinc/78/10/53/1017781053.db2.gz GQFOXDYGNFHQSQ-CYBMUJFWSA-N 1 1 322.836 3.575 20 30 DHEDMO C=CC[C@H]1CC[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000625704385 1017784084 /nfs/dbraw/zinc/78/40/84/1017784084.db2.gz RTHONNNWBUTTFC-INIZCTEOSA-N 1 1 324.424 3.608 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000091509174 1017853824 /nfs/dbraw/zinc/85/38/24/1017853824.db2.gz XJZCCGDUNNVTEO-HNNXBMFYSA-N 1 1 306.475 3.641 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC001171489294 1032729178 /nfs/dbraw/zinc/72/91/78/1032729178.db2.gz GFNNIEMIFAOVGK-HUUCEWRRSA-N 1 1 318.848 3.711 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccc(C)c2Br)C1 ZINC001171491005 1032730879 /nfs/dbraw/zinc/73/08/79/1032730879.db2.gz RNMKSWZCUPNROO-CQSZACIVSA-N 1 1 306.247 3.993 20 30 DHEDMO CC[N@H+](CCC#N)CC1(COc2cccc(COC)c2)CCC1 ZINC000342991826 1017954149 /nfs/dbraw/zinc/95/41/49/1017954149.db2.gz DMXLTISDIVMLMI-UHFFFAOYSA-N 1 1 316.445 3.618 20 30 DHEDMO CC[N@@H+](CCC#N)CC1(COc2cccc(COC)c2)CCC1 ZINC000342991826 1017954161 /nfs/dbraw/zinc/95/41/61/1017954161.db2.gz DMXLTISDIVMLMI-UHFFFAOYSA-N 1 1 316.445 3.618 20 30 DHEDMO CCc1ccccc1C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000445800324 1017975636 /nfs/dbraw/zinc/97/56/36/1017975636.db2.gz XATVSCUUFJZDRM-UHFFFAOYSA-N 1 1 308.425 3.769 20 30 DHEDMO C=CCCCCCN(C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000524831219 1018102775 /nfs/dbraw/zinc/10/27/75/1018102775.db2.gz RVVVHYDHPGRSCR-IAGOWNOFSA-N 1 1 309.498 3.637 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000187780587 1018164723 /nfs/dbraw/zinc/16/47/23/1018164723.db2.gz OESAGTQCRCWAMO-GOSISDBHSA-N 1 1 322.399 3.596 20 30 DHEDMO CCCC[N@@H+](CC)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764136496 1018167701 /nfs/dbraw/zinc/16/77/01/1018167701.db2.gz ZQVVEOQYIRTTRN-KRWDZBQOSA-N 1 1 315.461 3.752 20 30 DHEDMO CC[C@@](C)([NH2+]CC#Cc1ccc(F)cc1)c1nc(C)cs1 ZINC000126745557 1032746588 /nfs/dbraw/zinc/74/65/88/1032746588.db2.gz DYXHNXFCGBOJTP-QGZVFWFLSA-N 1 1 302.418 3.857 20 30 DHEDMO CC[N@@H+](CC(C)C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000764187392 1018190244 /nfs/dbraw/zinc/19/02/44/1018190244.db2.gz KBMBLTUWNRXSDE-KRWDZBQOSA-N 1 1 315.461 3.608 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)CC#Cc2ccc(F)cc2)cc1 ZINC000446765809 1018239945 /nfs/dbraw/zinc/23/99/45/1018239945.db2.gz FWGYKCVGYYFUFZ-UHFFFAOYSA-N 1 1 311.400 3.750 20 30 DHEDMO COCC[N@@H+](Cc1cc(C#N)ccc1OC)[C@H](C)c1ccccc1 ZINC000446863996 1018277551 /nfs/dbraw/zinc/27/75/51/1018277551.db2.gz XWFKQSQDNKOENM-MRXNPFEDSA-N 1 1 324.424 3.776 20 30 DHEDMO C=C(Br)C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000703312792 1018329000 /nfs/dbraw/zinc/32/90/00/1018329000.db2.gz VSYGHUXETNENCZ-UHFFFAOYSA-N 1 1 300.143 3.765 20 30 DHEDMO C#CC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C1CCCC1 ZINC000155760888 1018346362 /nfs/dbraw/zinc/34/63/62/1018346362.db2.gz RSPPGMVUJRMMSG-UHFFFAOYSA-N 1 1 315.804 3.768 20 30 DHEDMO C#CC[N@H+](Cc1nnc(-c2ccccc2Cl)o1)C1CCCC1 ZINC000155760888 1018346363 /nfs/dbraw/zinc/34/63/63/1018346363.db2.gz RSPPGMVUJRMMSG-UHFFFAOYSA-N 1 1 315.804 3.768 20 30 DHEDMO C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000173897843 1018369762 /nfs/dbraw/zinc/36/97/62/1018369762.db2.gz HHBFGYABWVBNCB-KRWDZBQOSA-N 1 1 319.452 3.657 20 30 DHEDMO C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1 ZINC000173897843 1018369770 /nfs/dbraw/zinc/36/97/70/1018369770.db2.gz HHBFGYABWVBNCB-KRWDZBQOSA-N 1 1 319.452 3.657 20 30 DHEDMO CC[C@H](N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(C#N)cc1 ZINC000447546267 1018416425 /nfs/dbraw/zinc/41/64/25/1018416425.db2.gz UNIUALBTABVZAQ-UXHICEINSA-N 1 1 311.473 3.863 20 30 DHEDMO CC[C@H](N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(C#N)cc1 ZINC000447546267 1018416431 /nfs/dbraw/zinc/41/64/31/1018416431.db2.gz UNIUALBTABVZAQ-UXHICEINSA-N 1 1 311.473 3.863 20 30 DHEDMO CC(C)C[C@@H](C)Oc1cc(C[NH2+]Cc2ccc(C#N)o2)ccn1 ZINC000174375248 1018422452 /nfs/dbraw/zinc/42/24/52/1018422452.db2.gz RMKGZGAQDKPTCB-CQSZACIVSA-N 1 1 313.401 3.649 20 30 DHEDMO CCCCCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000858111225 1032771025 /nfs/dbraw/zinc/77/10/25/1032771025.db2.gz XVYPXQIIBSXEPS-FUHWJXTLSA-N 1 1 321.509 3.615 20 30 DHEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000157022315 1018576898 /nfs/dbraw/zinc/57/68/98/1018576898.db2.gz FVODVEKAROLWMR-HNNXBMFYSA-N 1 1 321.852 3.581 20 30 DHEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000157022315 1018576908 /nfs/dbraw/zinc/57/69/08/1018576908.db2.gz FVODVEKAROLWMR-HNNXBMFYSA-N 1 1 321.852 3.581 20 30 DHEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245915110 1018598176 /nfs/dbraw/zinc/59/81/76/1018598176.db2.gz RTHZZKLCZDCPGU-NVXWUHKLSA-N 1 1 306.837 3.558 20 30 DHEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245915110 1018598187 /nfs/dbraw/zinc/59/81/87/1018598187.db2.gz RTHZZKLCZDCPGU-NVXWUHKLSA-N 1 1 306.837 3.558 20 30 DHEDMO COCCSCCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000278489212 1018737928 /nfs/dbraw/zinc/73/79/28/1018737928.db2.gz JFGNEKOBLWKRCV-UHFFFAOYSA-N 1 1 306.475 3.538 20 30 DHEDMO Cc1cccc2c1CC[C@@H]([N@H+]1CCc3cc(C#N)ccc3C1)C2 ZINC001171564801 1032784843 /nfs/dbraw/zinc/78/48/43/1032784843.db2.gz GHNFNGDXLQCIKU-HXUWFJFHSA-N 1 1 302.421 3.782 20 30 DHEDMO C#C[C@@H](C)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000278523081 1018781185 /nfs/dbraw/zinc/78/11/85/1018781185.db2.gz CUCOPDTVJCQIHR-OAHLLOKOSA-N 1 1 313.445 3.594 20 30 DHEDMO Cc1cnn(CCCCC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000171921593 1018835004 /nfs/dbraw/zinc/83/50/04/1018835004.db2.gz XGJIRQZMMMYYGG-UHFFFAOYSA-N 1 1 322.456 3.898 20 30 DHEDMO COc1c(C)cc(C[N@@H+](C)CCOc2cccc(C#N)c2)cc1C ZINC000110284833 1018879512 /nfs/dbraw/zinc/87/95/12/1018879512.db2.gz BJWMGGSDYKMMRD-UHFFFAOYSA-N 1 1 324.424 3.695 20 30 DHEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000921823865 1018912964 /nfs/dbraw/zinc/91/29/64/1018912964.db2.gz AQBBNBBVAASHCO-ZDUSSCGKSA-N 1 1 322.412 3.784 20 30 DHEDMO Cc1ccc(CN2CC[C@H](C[N@H+](C)CCCCC#N)C2)s1 ZINC000584164988 1018994858 /nfs/dbraw/zinc/99/48/58/1018994858.db2.gz MAPKCYAUTYHECT-MRXNPFEDSA-N 1 1 305.491 3.504 20 30 DHEDMO Cc1ccc(CN2CC[C@H](C[N@@H+](C)CCCCC#N)C2)s1 ZINC000584164988 1018994869 /nfs/dbraw/zinc/99/48/69/1018994869.db2.gz MAPKCYAUTYHECT-MRXNPFEDSA-N 1 1 305.491 3.504 20 30 DHEDMO N#Cc1c(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)cn2ccccc12 ZINC000278678024 1019027795 /nfs/dbraw/zinc/02/77/95/1019027795.db2.gz IRCKEVZVRUATOR-LBPRGKRZSA-N 1 1 307.319 3.585 20 30 DHEDMO N#Cc1c(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cn2ccccc12 ZINC000278678024 1019027808 /nfs/dbraw/zinc/02/78/08/1019027808.db2.gz IRCKEVZVRUATOR-LBPRGKRZSA-N 1 1 307.319 3.585 20 30 DHEDMO CC[C@H]1CCCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075765763 1019047811 /nfs/dbraw/zinc/04/78/11/1019047811.db2.gz COTUZCYJLVNIAP-INIZCTEOSA-N 1 1 310.401 3.763 20 30 DHEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000130743732 1019069350 /nfs/dbraw/zinc/06/93/50/1019069350.db2.gz AJUVLKDSQAZUDE-SFHVURJKSA-N 1 1 324.428 3.504 20 30 DHEDMO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1cccc(C#N)c1 ZINC000007914165 1019070820 /nfs/dbraw/zinc/07/08/20/1019070820.db2.gz CCISIFKILQQKPK-UHFFFAOYSA-N 1 1 321.424 3.717 20 30 DHEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1cccc(C#N)c1 ZINC000007914165 1019070852 /nfs/dbraw/zinc/07/08/52/1019070852.db2.gz CCISIFKILQQKPK-UHFFFAOYSA-N 1 1 321.424 3.717 20 30 DHEDMO N#Cc1cc(C[NH2+][C@@H]2CCOc3c(Cl)cccc32)cs1 ZINC000921592127 1019097737 /nfs/dbraw/zinc/09/77/37/1019097737.db2.gz AEIGXWHQDJTJGD-CQSZACIVSA-N 1 1 304.802 3.887 20 30 DHEDMO N#Cc1cccc(C2([NH2+]Cc3nccc4c3CCCC4)CC2)c1 ZINC000921925993 1019123710 /nfs/dbraw/zinc/12/37/10/1019123710.db2.gz RHDRDVFSRZVDRT-UHFFFAOYSA-N 1 1 303.409 3.611 20 30 DHEDMO CC[C@@H](C)[C@H](C)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000112600394 1019144072 /nfs/dbraw/zinc/14/40/72/1019144072.db2.gz YGJZBIBPIJOLTG-CABCVRRESA-N 1 1 313.445 3.786 20 30 DHEDMO C=CCCC[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000076737140 1019166930 /nfs/dbraw/zinc/16/69/30/1019166930.db2.gz FGXHIFYTLGENOC-UHFFFAOYSA-N 1 1 310.825 3.575 20 30 DHEDMO C=C(C)[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccc(F)c(F)c1 ZINC001128248620 1019242349 /nfs/dbraw/zinc/24/23/49/1019242349.db2.gz FPJCADKFQRHNBL-DLBZAZTESA-N 1 1 322.399 3.571 20 30 DHEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cccc(C#N)c1 ZINC000077212275 1019262636 /nfs/dbraw/zinc/26/26/36/1019262636.db2.gz HXHZOEPOQABRGG-UHFFFAOYSA-N 1 1 321.424 3.636 20 30 DHEDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cccc(C#N)c1 ZINC000077212275 1019262643 /nfs/dbraw/zinc/26/26/43/1019262643.db2.gz HXHZOEPOQABRGG-UHFFFAOYSA-N 1 1 321.424 3.636 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000077248530 1019268858 /nfs/dbraw/zinc/26/88/58/1019268858.db2.gz IUCWXIYIROFXFM-SFHVURJKSA-N 1 1 322.408 3.565 20 30 DHEDMO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1csc(C#N)c1 ZINC000922008337 1019296978 /nfs/dbraw/zinc/29/69/78/1019296978.db2.gz SNXXVJLHBFLGJX-UHFFFAOYSA-N 1 1 310.426 3.531 20 30 DHEDMO Cc1ccc(CC[C@@H](C)[N@H+]2CCC3SC(=O)C=C3C2)cc1 ZINC001171669956 1032822597 /nfs/dbraw/zinc/82/25/97/1032822597.db2.gz GRFQNHQFQIIKQV-RHSMWYFYSA-N 1 1 301.455 3.590 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000172395537 1019386536 /nfs/dbraw/zinc/38/65/36/1019386536.db2.gz DWBBOEFRRCHATA-LIRRHRJNSA-N 1 1 310.372 3.832 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000172395537 1019386555 /nfs/dbraw/zinc/38/65/55/1019386555.db2.gz DWBBOEFRRCHATA-LIRRHRJNSA-N 1 1 310.372 3.832 20 30 DHEDMO COC[C@H]([NH2+]Cc1csc(C#N)c1)c1ccc(Cl)cc1 ZINC000922068252 1019391933 /nfs/dbraw/zinc/39/19/33/1019391933.db2.gz YKIJOVWFQKVWNW-HNNXBMFYSA-N 1 1 306.818 3.750 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCC(C)(C)C2)c1C#N ZINC000611347296 1019453900 /nfs/dbraw/zinc/45/39/00/1019453900.db2.gz WHHYOBGORIPOOG-UHFFFAOYSA-N 1 1 308.429 3.674 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCCC(C)(C)C2)c1C#N ZINC000611347296 1019453909 /nfs/dbraw/zinc/45/39/09/1019453909.db2.gz WHHYOBGORIPOOG-UHFFFAOYSA-N 1 1 308.429 3.674 20 30 DHEDMO CN(C)CC[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)C(C)(C)C ZINC000611393558 1019468164 /nfs/dbraw/zinc/46/81/64/1019468164.db2.gz WUWABRPVDHMLGU-RTBURBONSA-N 1 1 313.489 3.892 20 30 DHEDMO Cc1ccc2nc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)[nH]c2c1 ZINC000611393568 1019469140 /nfs/dbraw/zinc/46/91/40/1019469140.db2.gz HOQBLUJQNVLKKU-KRWDZBQOSA-N 1 1 316.408 3.910 20 30 DHEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000552828089 1019474629 /nfs/dbraw/zinc/47/46/29/1019474629.db2.gz IKKAIISBQALVCE-FZKQIMNGSA-N 1 1 310.372 3.521 20 30 DHEDMO CC(C)[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)[NH+]1CCCC1 ZINC000611391002 1019474832 /nfs/dbraw/zinc/47/48/32/1019474832.db2.gz ZFBHMRJTMXLMSP-WOJBJXKFSA-N 1 1 311.473 3.646 20 30 DHEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000611553986 1019513944 /nfs/dbraw/zinc/51/39/44/1019513944.db2.gz AGGDZJKJMWBLID-TZMCWYRMSA-N 1 1 312.335 3.600 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+](CC)CCc1nccs1 ZINC000093764545 1019580226 /nfs/dbraw/zinc/58/02/26/1019580226.db2.gz MAAVXNZNPFVJSN-UHFFFAOYSA-N 1 1 302.443 3.773 20 30 DHEDMO C[C@H]1C[C@@H](NC2(C#N)CCCCCC2)C[N@H+]1Cc1ccccc1 ZINC001171725392 1032841929 /nfs/dbraw/zinc/84/19/29/1032841929.db2.gz KVMNWPQNRYJSEG-PKOBYXMFSA-N 1 1 311.473 3.856 20 30 DHEDMO C[C@@H]1C[C@H](NC2(C#N)CCCCCC2)C[N@H+]1Cc1ccccc1 ZINC001171725391 1032843305 /nfs/dbraw/zinc/84/33/05/1032843305.db2.gz KVMNWPQNRYJSEG-MJGOQNOKSA-N 1 1 311.473 3.856 20 30 DHEDMO CCCC[N@H+]1Cc2cccc(N=Cc3cccc(O)c3O)c2C1 ZINC000727265059 1019677540 /nfs/dbraw/zinc/67/75/40/1019677540.db2.gz GQOIWZQBHNUCNH-UHFFFAOYSA-N 1 1 310.397 3.964 20 30 DHEDMO C=C[C@H](CC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1 ZINC000536234065 1019806398 /nfs/dbraw/zinc/80/63/98/1019806398.db2.gz PAGAVBCMRDOWNS-UZLBHIALSA-N 1 1 320.436 3.649 20 30 DHEDMO C=C[C@H](CC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1 ZINC000536234065 1019806415 /nfs/dbraw/zinc/80/64/15/1019806415.db2.gz PAGAVBCMRDOWNS-UZLBHIALSA-N 1 1 320.436 3.649 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)cc1 ZINC000727828126 1019814091 /nfs/dbraw/zinc/81/40/91/1019814091.db2.gz YXBOEJHHMOKHEW-HXUWFJFHSA-N 1 1 311.425 3.591 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCN(c2ccccc2)CC1 ZINC000118393974 1020044516 /nfs/dbraw/zinc/04/45/16/1020044516.db2.gz QMPQXMVPOOLEGF-KRWDZBQOSA-N 1 1 305.425 3.832 20 30 DHEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000731212280 1020082256 /nfs/dbraw/zinc/08/22/56/1020082256.db2.gz CQIZFIGQCHISAG-OXQOHEQNSA-N 1 1 322.408 3.551 20 30 DHEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000731212280 1020082269 /nfs/dbraw/zinc/08/22/69/1020082269.db2.gz CQIZFIGQCHISAG-OXQOHEQNSA-N 1 1 322.408 3.551 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)Cc2ccc(C#N)s2)cc1 ZINC000123746903 1020096538 /nfs/dbraw/zinc/09/65/38/1020096538.db2.gz AJYMTGUDCLFCIW-UHFFFAOYSA-N 1 1 300.427 3.693 20 30 DHEDMO COCC[N@@H+](Cc1coc2ccccc12)Cc1ccc(C#N)cc1 ZINC000092567704 1020100001 /nfs/dbraw/zinc/10/00/01/1020100001.db2.gz RAPFLWXOBROYER-UHFFFAOYSA-N 1 1 320.392 3.953 20 30 DHEDMO COc1ccc2c(c1)CCC[N@H+](Cc1ccc(CC#N)cc1)C2 ZINC000612069887 1020164964 /nfs/dbraw/zinc/16/49/64/1020164964.db2.gz GJAFNDPAHWKLNK-UHFFFAOYSA-N 1 1 306.409 3.710 20 30 DHEDMO Cc1nsc(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1C#N ZINC000329358589 1020173419 /nfs/dbraw/zinc/17/34/19/1020173419.db2.gz GFCMHYFOUPHZDU-ZFWWWQNUSA-N 1 1 312.442 3.571 20 30 DHEDMO C[C@@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)[C@H](c2ccco2)C1 ZINC000093811881 1020176093 /nfs/dbraw/zinc/17/60/93/1020176093.db2.gz AIYIEMKBXOAKAJ-PBHICJAKSA-N 1 1 320.396 3.772 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H](c2ccco2)C1 ZINC000093811881 1020176100 /nfs/dbraw/zinc/17/61/00/1020176100.db2.gz AIYIEMKBXOAKAJ-PBHICJAKSA-N 1 1 320.396 3.772 20 30 DHEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000093889920 1020181513 /nfs/dbraw/zinc/18/15/13/1020181513.db2.gz KXGDNJUKVCBWMT-XUSGNXJCSA-N 1 1 318.467 3.550 20 30 DHEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093889920 1020181521 /nfs/dbraw/zinc/18/15/21/1020181521.db2.gz KXGDNJUKVCBWMT-XUSGNXJCSA-N 1 1 318.467 3.550 20 30 DHEDMO CC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000330621086 1020234310 /nfs/dbraw/zinc/23/43/10/1020234310.db2.gz LNYWLFZDURYQOF-OAHLLOKOSA-N 1 1 319.836 3.661 20 30 DHEDMO C#CC[N@H+](Cc1csc(-c2ccccn2)n1)C1CCCCC1 ZINC000732408578 1020239994 /nfs/dbraw/zinc/23/99/94/1020239994.db2.gz MPTJJYYBLHBVBR-UHFFFAOYSA-N 1 1 311.454 3.973 20 30 DHEDMO C#CC[N@@H+](Cc1csc(-c2ccccn2)n1)C1CCCCC1 ZINC000732408578 1020239999 /nfs/dbraw/zinc/23/99/99/1020239999.db2.gz MPTJJYYBLHBVBR-UHFFFAOYSA-N 1 1 311.454 3.973 20 30 DHEDMO Cc1[nH+]ccn1CCSc1nc(-c2ccccc2)ccc1C#N ZINC000347734314 1020271112 /nfs/dbraw/zinc/27/11/12/1020271112.db2.gz GOHQPDGFGMNORF-UHFFFAOYSA-N 1 1 320.421 3.918 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)ccc1F ZINC000280956171 1020318421 /nfs/dbraw/zinc/31/84/21/1020318421.db2.gz JDTIQRMFRLMORZ-BHIYHBOVSA-N 1 1 316.420 3.603 20 30 DHEDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)c1 ZINC000153517916 1020322855 /nfs/dbraw/zinc/32/28/55/1020322855.db2.gz ACKBFHFCAPIGJJ-LJQANCHMSA-N 1 1 316.408 3.852 20 30 DHEDMO Cc1nccn1CCC[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000130607959 1032894266 /nfs/dbraw/zinc/89/42/66/1032894266.db2.gz RPFUJNUCTCQGRM-UHFFFAOYSA-N 1 1 310.445 3.515 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)cc1 ZINC000733313394 1020363073 /nfs/dbraw/zinc/36/30/73/1020363073.db2.gz QOWCGLRIQOIOGH-FQEVSTJZSA-N 1 1 322.408 3.632 20 30 DHEDMO Cc1cc(C#N)ccc1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310406530 1020392582 /nfs/dbraw/zinc/39/25/82/1020392582.db2.gz LSMDNGMHLGIBQZ-OAQYLSRUSA-N 1 1 319.452 3.573 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310406530 1020392593 /nfs/dbraw/zinc/39/25/93/1020392593.db2.gz LSMDNGMHLGIBQZ-OAQYLSRUSA-N 1 1 319.452 3.573 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000310406530 1020392604 /nfs/dbraw/zinc/39/26/04/1020392604.db2.gz LSMDNGMHLGIBQZ-OAQYLSRUSA-N 1 1 319.452 3.573 20 30 DHEDMO CC[N@@H+](CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171853642 1032906484 /nfs/dbraw/zinc/90/64/84/1032906484.db2.gz YFGKCXUGZHWTDS-OAHLLOKOSA-N 1 1 321.465 3.544 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2occc2c1 ZINC000347658854 1020476460 /nfs/dbraw/zinc/47/64/60/1020476460.db2.gz VQVQMUGEIQJJAL-UHFFFAOYSA-N 1 1 320.392 3.953 20 30 DHEDMO C[C@@H]1CCN(c2cccc(F)c2C#N)CC[N@H+]1Cc1ccccc1 ZINC000301440111 1020511281 /nfs/dbraw/zinc/51/12/81/1020511281.db2.gz LYZYIKIXFYLJQI-MRXNPFEDSA-N 1 1 323.415 3.798 20 30 DHEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1C#N ZINC000301460999 1020513934 /nfs/dbraw/zinc/51/39/34/1020513934.db2.gz UKKLVXZBJSJMIC-QGZVFWFLSA-N 1 1 323.415 3.656 20 30 DHEDMO CCCC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000216454905 1020520786 /nfs/dbraw/zinc/52/07/86/1020520786.db2.gz XFPRBKYARGFSAS-LBPRGKRZSA-N 1 1 307.825 3.661 20 30 DHEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCCC1 ZINC000014705161 1020542788 /nfs/dbraw/zinc/54/27/88/1020542788.db2.gz GEJMBKMIHMVJHR-UHFFFAOYSA-N 1 1 319.836 3.805 20 30 DHEDMO C[N@H+](Cc1ccc(Br)o1)Cc1ccc(C#N)cc1 ZINC000030213154 1020565842 /nfs/dbraw/zinc/56/58/42/1020565842.db2.gz NVNQPOWYCWTFMA-UHFFFAOYSA-N 1 1 305.175 3.546 20 30 DHEDMO C[N@@H+](Cc1ccc(Br)o1)Cc1ccc(C#N)cc1 ZINC000030213154 1020565845 /nfs/dbraw/zinc/56/58/45/1020565845.db2.gz NVNQPOWYCWTFMA-UHFFFAOYSA-N 1 1 305.175 3.546 20 30 DHEDMO Cc1cc(C)c(C#N)c(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000360864406 1020593251 /nfs/dbraw/zinc/59/32/51/1020593251.db2.gz MMHSOJMRFLZEOB-BEFAXECRSA-N 1 1 320.440 3.503 20 30 DHEDMO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CC(C)C)c1 ZINC000065961561 1020605393 /nfs/dbraw/zinc/60/53/93/1020605393.db2.gz DZSWSGDVRVURHW-KRWDZBQOSA-N 1 1 315.461 3.526 20 30 DHEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000163875485 1020621928 /nfs/dbraw/zinc/62/19/28/1020621928.db2.gz KYTOGHVZNKXBRF-CZUORRHYSA-N 1 1 306.837 3.727 20 30 DHEDMO COc1ccc(CNc2[nH+]cccc2C)cc1OCCCC#N ZINC000130982880 1032914959 /nfs/dbraw/zinc/91/49/59/1032914959.db2.gz VLFZGSAAXGKPMB-UHFFFAOYSA-N 1 1 311.385 3.693 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000131190931 1032922289 /nfs/dbraw/zinc/92/22/89/1032922289.db2.gz FCNVGLMOQHBUQS-UHFFFAOYSA-N 1 1 318.424 3.540 20 30 DHEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000735309066 1020715749 /nfs/dbraw/zinc/71/57/49/1020715749.db2.gz FBDMXYSAPIMUMD-CYBMUJFWSA-N 1 1 316.788 3.825 20 30 DHEDMO Cc1occc1C[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735308720 1020720502 /nfs/dbraw/zinc/72/05/02/1020720502.db2.gz QMLUPRGWGHNPDW-UHFFFAOYSA-N 1 1 304.777 3.776 20 30 DHEDMO Cc1occc1C[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735308720 1020720517 /nfs/dbraw/zinc/72/05/17/1020720517.db2.gz QMLUPRGWGHNPDW-UHFFFAOYSA-N 1 1 304.777 3.776 20 30 DHEDMO Cc1ccc(-c2nnc([C@@H](C)O[NH+]=C(N)C3CCCC3)o2)cc1 ZINC000177670949 1020749806 /nfs/dbraw/zinc/74/98/06/1020749806.db2.gz FZTXWAZXDFSNQO-GFCCVEGCSA-N 1 1 314.389 3.585 20 30 DHEDMO C=C(Cl)C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000735925327 1020779346 /nfs/dbraw/zinc/77/93/46/1020779346.db2.gz CGVRKZNBQITBGV-UHFFFAOYSA-N 1 1 314.610 3.567 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC000580080008 1020814100 /nfs/dbraw/zinc/81/41/00/1020814100.db2.gz LXFGAVJAVXPWRZ-SFHVURJKSA-N 1 1 321.380 3.976 20 30 DHEDMO C#CCOc1ccccc1C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000738430030 1020874633 /nfs/dbraw/zinc/87/46/33/1020874633.db2.gz DQOLFCOJLXNVFO-UHFFFAOYSA-N 1 1 321.420 3.702 20 30 DHEDMO C=CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000739912249 1020922833 /nfs/dbraw/zinc/92/28/33/1020922833.db2.gz IHNBCWIEYHTUKT-HZPDHXFCSA-N 1 1 308.466 3.817 20 30 DHEDMO CC(C)C[N@@H+](CCC#N)CCOc1ccc(C(F)(F)F)cc1 ZINC000739914261 1020925022 /nfs/dbraw/zinc/92/50/22/1020925022.db2.gz GHUKFRQRZNHARK-UHFFFAOYSA-N 1 1 314.351 3.956 20 30 DHEDMO CC(C)C[N@H+](CCC#N)CCOc1ccc(C(F)(F)F)cc1 ZINC000739914261 1020925026 /nfs/dbraw/zinc/92/50/26/1020925026.db2.gz GHUKFRQRZNHARK-UHFFFAOYSA-N 1 1 314.351 3.956 20 30 DHEDMO CC(C)(C)OC(=O)C1CCC([N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001171928359 1032942098 /nfs/dbraw/zinc/94/20/98/1032942098.db2.gz CPDZLXMZQHSLQI-QQFBHYJXSA-N 1 1 306.450 3.513 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1ccccc1C ZINC000613492070 1020998710 /nfs/dbraw/zinc/99/87/10/1020998710.db2.gz FKXWIDQFFXUGLU-SFHVURJKSA-N 1 1 300.446 3.557 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)c1ccccc1C ZINC000741780935 1021051962 /nfs/dbraw/zinc/05/19/62/1021051962.db2.gz GSDVHBRBFOXCRQ-FQEVSTJZSA-N 1 1 311.425 3.725 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)Cc2ccc(OCC#N)cc2)cc1 ZINC000264530615 1032950595 /nfs/dbraw/zinc/95/05/95/1032950595.db2.gz DDGDFLHGOMZHLG-UHFFFAOYSA-N 1 1 324.424 3.662 20 30 DHEDMO C=CCCCCC[N@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000741795097 1021054220 /nfs/dbraw/zinc/05/42/20/1021054220.db2.gz LRVSHGDMEMXHKE-KRWDZBQOSA-N 1 1 302.418 3.690 20 30 DHEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(OCC#N)cc2)cc1 ZINC000264535300 1032952527 /nfs/dbraw/zinc/95/25/27/1032952527.db2.gz FWSHEHZVFUGNKF-HNNXBMFYSA-N 1 1 310.397 3.791 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H](c2ccccc2)O1 ZINC000264535428 1032954266 /nfs/dbraw/zinc/95/42/66/1032954266.db2.gz FYOGSHPPDFPSCR-JXFKEZNVSA-N 1 1 322.408 3.551 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H](c2ccccc2)O1 ZINC000264535428 1032954281 /nfs/dbraw/zinc/95/42/81/1032954281.db2.gz FYOGSHPPDFPSCR-JXFKEZNVSA-N 1 1 322.408 3.551 20 30 DHEDMO COc1cc(OC)c(OC)cc1C[N@@H+](CCCC#N)C(C)(C)C ZINC000131946178 1032955386 /nfs/dbraw/zinc/95/53/86/1032955386.db2.gz WUZGFGZXBJGAHX-UHFFFAOYSA-N 1 1 320.433 3.617 20 30 DHEDMO CCCCCCCCCC[C@@H](O)C[N@@H+](C)C1CCN(C)CC1 ZINC001252979095 1032963495 /nfs/dbraw/zinc/96/34/95/1032963495.db2.gz IVHJLMRPMZUMKA-LJQANCHMSA-N 1 1 312.542 3.904 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)C(C)C ZINC000917167069 1021204867 /nfs/dbraw/zinc/20/48/67/1021204867.db2.gz RKTKVIZLTBXYLW-UHFFFAOYSA-N 1 1 301.217 3.828 20 30 DHEDMO C=CC[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)C(C)C ZINC000917167069 1021204877 /nfs/dbraw/zinc/20/48/77/1021204877.db2.gz RKTKVIZLTBXYLW-UHFFFAOYSA-N 1 1 301.217 3.828 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)C(C)C ZINC000917168152 1021206589 /nfs/dbraw/zinc/20/65/89/1021206589.db2.gz PXTDUMBQMJTVKQ-UHFFFAOYSA-N 1 1 320.452 3.849 20 30 DHEDMO CC(C)C[C@H](C#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976070 1032962066 /nfs/dbraw/zinc/96/20/66/1032962066.db2.gz PATKOUJYAVYWJA-RTBURBONSA-N 1 1 313.489 3.957 20 30 DHEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000776309670 1021277865 /nfs/dbraw/zinc/27/78/65/1021277865.db2.gz LIBZVZWZHCHIEI-ZDUSSCGKSA-N 1 1 301.336 3.828 20 30 DHEDMO CC1(C)C[C@H](N2CCCC[C@@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC001171985816 1032971916 /nfs/dbraw/zinc/97/19/16/1032971916.db2.gz CNEJISVETCAQQR-RTBURBONSA-N 1 1 311.473 3.808 20 30 DHEDMO COc1ccccc1OCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000189219573 1021352537 /nfs/dbraw/zinc/35/25/37/1021352537.db2.gz AFSCWQSSERYFMH-OAHLLOKOSA-N 1 1 310.397 3.639 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CC1(Cl)Cl ZINC000917973106 1021411465 /nfs/dbraw/zinc/41/14/65/1021411465.db2.gz KZNSOCZHBJZMHE-ZDUSSCGKSA-N 1 1 300.229 3.877 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(Br)c2)[C@H](C)C1 ZINC001236864904 1021416166 /nfs/dbraw/zinc/41/61/66/1021416166.db2.gz XQHYCTSDDYUNOG-VXGBXAGGSA-N 1 1 307.235 3.941 20 30 DHEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000189721643 1021429059 /nfs/dbraw/zinc/42/90/59/1021429059.db2.gz VLCFRNGQGSVCGC-HXUWFJFHSA-N 1 1 308.425 3.721 20 30 DHEDMO Cn1c[nH+]c2cc(NCc3ccc(C4(C#N)CC4)cc3)ccc21 ZINC000850217955 1021445036 /nfs/dbraw/zinc/44/50/36/1021445036.db2.gz RTNILCXZKUWDIX-UHFFFAOYSA-N 1 1 302.381 3.741 20 30 DHEDMO N#C[C@H]1CCCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172074904 1032982453 /nfs/dbraw/zinc/98/24/53/1032982453.db2.gz MQNTVOGAWYPRPF-MXEMCNAFSA-N 1 1 323.484 3.808 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000589820845 1021496916 /nfs/dbraw/zinc/49/69/16/1021496916.db2.gz BXTDLTLRWRBBJR-HIFRSBDPSA-N 1 1 302.422 3.804 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000618743105 1021503646 /nfs/dbraw/zinc/50/36/46/1021503646.db2.gz WXVIPWCLJHGQKR-HXUWFJFHSA-N 1 1 314.392 3.521 20 30 DHEDMO CC(C)C[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000744437229 1021536643 /nfs/dbraw/zinc/53/66/43/1021536643.db2.gz LSWLNBTURMAJLX-QGZVFWFLSA-N 1 1 308.429 3.747 20 30 DHEDMO Cc1cccc2c1C[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC2 ZINC000763505010 1021537821 /nfs/dbraw/zinc/53/78/21/1021537821.db2.gz LPWWQPRASMZPTH-INIZCTEOSA-N 1 1 306.409 3.844 20 30 DHEDMO COc1ccc(C[C@H](C)C[N@H+]2CCC[C@](C)(C#N)C2)cc1F ZINC000613620659 1021577231 /nfs/dbraw/zinc/57/72/31/1021577231.db2.gz HILOWRFUOAIGLH-KBXCAEBGSA-N 1 1 304.409 3.639 20 30 DHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2nc(C)c(C)s2)c1 ZINC000892971830 1021749507 /nfs/dbraw/zinc/74/95/07/1021749507.db2.gz DKUWUTLWPNVKBT-HNNXBMFYSA-N 1 1 315.442 3.731 20 30 DHEDMO Cc1cc(C#N)ccc1COC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC000777063038 1033006512 /nfs/dbraw/zinc/00/65/12/1033006512.db2.gz OGWJJDBLLKZZPL-UHFFFAOYSA-N 1 1 314.429 3.563 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2nc3ccccc3o2)C2CC2)cc1 ZINC000194964674 1021824796 /nfs/dbraw/zinc/82/47/96/1021824796.db2.gz ZQTAAFLWIOWLMI-UHFFFAOYSA-N 1 1 303.365 3.864 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2nc3ccccc3o2)C2CC2)cc1 ZINC000194964674 1021824816 /nfs/dbraw/zinc/82/48/16/1021824816.db2.gz ZQTAAFLWIOWLMI-UHFFFAOYSA-N 1 1 303.365 3.864 20 30 DHEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@](C)(C#N)c1ccccc1Cl)C2 ZINC001172107166 1033009146 /nfs/dbraw/zinc/00/91/46/1033009146.db2.gz UAJBAPVXIVJWBB-KRXQYRFLSA-N 1 1 317.864 3.684 20 30 DHEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1ccccc1 ZINC000746153623 1021874601 /nfs/dbraw/zinc/87/46/01/1021874601.db2.gz SGFCJSFXXARUMN-FQEVSTJZSA-N 1 1 308.425 3.750 20 30 DHEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@](C)(C#N)c1ccccc1Cl)C2 ZINC001172107164 1033013490 /nfs/dbraw/zinc/01/34/90/1033013490.db2.gz UAJBAPVXIVJWBB-AFIMGQEJSA-N 1 1 317.864 3.684 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)ccn1 ZINC000619784505 1021894626 /nfs/dbraw/zinc/89/46/26/1021894626.db2.gz INYJTUUFQHMBKC-AWEZNQCLSA-N 1 1 309.335 3.508 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)ccn1 ZINC000619784505 1021894645 /nfs/dbraw/zinc/89/46/45/1021894645.db2.gz INYJTUUFQHMBKC-AWEZNQCLSA-N 1 1 309.335 3.508 20 30 DHEDMO CN(CCOCc1ccc(C#N)cc1)c1cc[nH+]c2ccsc21 ZINC000341079373 1021918745 /nfs/dbraw/zinc/91/87/45/1021918745.db2.gz IZTGTCDETXIEBK-UHFFFAOYSA-N 1 1 323.421 3.821 20 30 DHEDMO CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000930103521 1021947949 /nfs/dbraw/zinc/94/79/49/1021947949.db2.gz ZUDOTEBLWWKIRD-UYSNPLJNSA-N 1 1 306.450 3.513 20 30 DHEDMO C#CC[N@H+](C[C@H]1CCCN(C(=O)C(C)(C)C)C1)C1CCCCC1 ZINC000851737585 1021981924 /nfs/dbraw/zinc/98/19/24/1021981924.db2.gz IGOAMSBNDBPSPK-QGZVFWFLSA-N 1 1 318.505 3.539 20 30 DHEDMO CC[C@@H](CC(F)F)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000851880504 1022028257 /nfs/dbraw/zinc/02/82/57/1022028257.db2.gz BFAUMRPTMCXPBQ-BBRMVZONSA-N 1 1 308.372 3.613 20 30 DHEDMO CC[C@@H](CC(F)F)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000851880504 1022028275 /nfs/dbraw/zinc/02/82/75/1022028275.db2.gz BFAUMRPTMCXPBQ-BBRMVZONSA-N 1 1 308.372 3.613 20 30 DHEDMO C=CCC[C@H]([NH2+]Cc1cnon1)c1ccc(C(F)(F)F)cc1 ZINC000851906428 1022038971 /nfs/dbraw/zinc/03/89/71/1022038971.db2.gz XAFCNUVBOWYIOP-AWEZNQCLSA-N 1 1 311.307 3.886 20 30 DHEDMO C[C@H](C[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1)c1nccs1 ZINC000183258188 1022062360 /nfs/dbraw/zinc/06/23/60/1022062360.db2.gz NPWNPOPHDXOXGM-KGLIPLIRSA-N 1 1 315.442 3.669 20 30 DHEDMO N#Cc1cccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)c1 ZINC000183343709 1022112128 /nfs/dbraw/zinc/11/21/28/1022112128.db2.gz JDGDISWFPGPUPD-FQEVSTJZSA-N 1 1 317.367 3.972 20 30 DHEDMO CCN(CC)c1ncc(C=[NH+]N[C@@H](C)c2ccccc2)s1 ZINC000920386204 1022113110 /nfs/dbraw/zinc/11/31/10/1022113110.db2.gz UBKBTKANGJXRDE-ZDUSSCGKSA-N 1 1 302.447 3.674 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc(OC)ccc23)C1 ZINC000852412246 1022117378 /nfs/dbraw/zinc/11/73/78/1022117378.db2.gz ZYMWRHUVRQHLMG-CQSZACIVSA-N 1 1 313.397 3.590 20 30 DHEDMO Cc1ccc(C[N@@H+](C)CCCOc2ccc(C#N)cc2)s1 ZINC000920490443 1022129708 /nfs/dbraw/zinc/12/97/08/1022129708.db2.gz YLHCLBFPIGGVGX-UHFFFAOYSA-N 1 1 300.427 3.829 20 30 DHEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000852532946 1022135540 /nfs/dbraw/zinc/13/55/40/1022135540.db2.gz MPHSXIGEKFVBNW-ZDUSSCGKSA-N 1 1 310.800 3.814 20 30 DHEDMO C[C@@H]1[C@@H](C)[N@@H+](CCCC(C)(C)C#N)CCN1C(=O)OC(C)(C)C ZINC000776604952 1022144016 /nfs/dbraw/zinc/14/40/16/1022144016.db2.gz YMVQIUNQOPZSBO-HUUCEWRRSA-N 1 1 323.481 3.646 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccc1OCC#N ZINC000852685114 1022158101 /nfs/dbraw/zinc/15/81/01/1022158101.db2.gz BICWJHUFEGWLQM-IYBDPMFKSA-N 1 1 302.805 3.925 20 30 DHEDMO C#CC[N@H+](Cc1sc(C)nc1C(F)(F)F)C1CCCC1 ZINC000183605813 1022209155 /nfs/dbraw/zinc/20/91/55/1022209155.db2.gz MFIICPOLAKUXDC-UHFFFAOYSA-N 1 1 302.365 3.848 20 30 DHEDMO Oc1cccc(/C=N/C[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1O ZINC000921261000 1022238860 /nfs/dbraw/zinc/23/88/60/1022238860.db2.gz KBNOTDQJABNQFW-LANLRWRYSA-N 1 1 324.424 3.571 20 30 DHEDMO Oc1ccccc1/C=N/C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000921261048 1022239199 /nfs/dbraw/zinc/23/91/99/1022239199.db2.gz LCNLFBGZUCSCRM-ORTNRGLGSA-N 1 1 308.425 3.866 20 30 DHEDMO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000120247499 1022252133 /nfs/dbraw/zinc/25/21/33/1022252133.db2.gz GQJPKVMGEGKTQF-UTKZUKDTSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@@H]1C[C@@H](CNCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000120247499 1022252142 /nfs/dbraw/zinc/25/21/42/1022252142.db2.gz GQJPKVMGEGKTQF-UTKZUKDTSA-N 1 1 319.452 3.558 20 30 DHEDMO C[C@@H]1C[C@@H](CNCc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000120247499 1022252147 /nfs/dbraw/zinc/25/21/47/1022252147.db2.gz GQJPKVMGEGKTQF-UTKZUKDTSA-N 1 1 319.452 3.558 20 30 DHEDMO C#Cc1cccnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000853448318 1022275664 /nfs/dbraw/zinc/27/56/64/1022275664.db2.gz LYFRXRGTCZQOHB-QGZVFWFLSA-N 1 1 311.473 3.544 20 30 DHEDMO CCc1nc([C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cs1 ZINC000111406713 1022294901 /nfs/dbraw/zinc/29/49/01/1022294901.db2.gz DHYARNSZCFEIOE-OLZOCXBDSA-N 1 1 315.442 3.847 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C(=O)C(C)(C)[C@@H]1c1ccccc1 ZINC000853597786 1022295467 /nfs/dbraw/zinc/29/54/67/1022295467.db2.gz FMBIQHHEXOJOIF-KSZLIROESA-N 1 1 310.441 3.737 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C(=O)C(C)(C)[C@H]1c1ccccc1 ZINC000853597784 1022297575 /nfs/dbraw/zinc/29/75/75/1022297575.db2.gz FMBIQHHEXOJOIF-FGTMMUONSA-N 1 1 310.441 3.737 20 30 DHEDMO C=C1CC(C(=O)N2CC[C@H]3C[N@H+](C[C@@H](CC)CCCC)C[C@H]32)C1 ZINC001272708941 1022302057 /nfs/dbraw/zinc/30/20/57/1022302057.db2.gz JHHGUQSTXJCYBE-JENIJYKNSA-N 1 1 318.505 3.702 20 30 DHEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCOc1ccccc1C#N ZINC000609672295 1022324635 /nfs/dbraw/zinc/32/46/35/1022324635.db2.gz CVBXXNLFLBWAPA-QFBILLFUSA-N 1 1 306.409 3.815 20 30 DHEDMO CCCC[N@H+](CC#N)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169305439 1022350758 /nfs/dbraw/zinc/35/07/58/1022350758.db2.gz KKIRNRSTYFINMY-UHFFFAOYSA-N 1 1 314.429 3.780 20 30 DHEDMO CCCC[N@@H+](CC#N)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169305439 1022350776 /nfs/dbraw/zinc/35/07/76/1022350776.db2.gz KKIRNRSTYFINMY-UHFFFAOYSA-N 1 1 314.429 3.780 20 30 DHEDMO Cc1cc(C[NH2+]C[C@H](C)C#N)cc(C)c1OCc1ccccn1 ZINC000183838862 1022459121 /nfs/dbraw/zinc/45/91/21/1022459121.db2.gz IPYDWBQWIZKLMF-CQSZACIVSA-N 1 1 309.413 3.527 20 30 DHEDMO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000341479711 1022466548 /nfs/dbraw/zinc/46/65/48/1022466548.db2.gz ZCYPLBJZNNFLLE-NSHDSACASA-N 1 1 302.324 3.696 20 30 DHEDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](CC#N)C2)cc1Br ZINC001237679647 1022535241 /nfs/dbraw/zinc/53/52/41/1022535241.db2.gz SZWIVKFUDHIWFD-GFCCVEGCSA-N 1 1 323.234 3.589 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)cc1 ZINC000157907976 1022585991 /nfs/dbraw/zinc/58/59/91/1022585991.db2.gz DEBRYPFCZLSUGG-SFHVURJKSA-N 1 1 309.384 3.675 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000616133125 1022642978 /nfs/dbraw/zinc/64/29/78/1022642978.db2.gz YWTJDIDEHWIDIS-HOTGVXAUSA-N 1 1 323.415 3.969 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001172306919 1033075246 /nfs/dbraw/zinc/07/52/46/1033075246.db2.gz LSMCXJOQXOPZNF-OXJNMPFZSA-N 1 1 305.425 3.591 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172310075 1033078154 /nfs/dbraw/zinc/07/81/54/1033078154.db2.gz ZVGYMHKSDOQQLJ-QFBILLFUSA-N 1 1 320.436 3.987 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000621515107 1022785241 /nfs/dbraw/zinc/78/52/41/1022785241.db2.gz AMQZABUHUUGWMM-MRXNPFEDSA-N 1 1 308.853 3.805 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001172316659 1033082566 /nfs/dbraw/zinc/08/25/66/1033082566.db2.gz WGMGBJKTIIFZGY-KCPJHIHWSA-N 1 1 314.326 3.569 20 30 DHEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H]2C2CC2)c1 ZINC000617196439 1022886713 /nfs/dbraw/zinc/88/67/13/1022886713.db2.gz JNBIZOQOFFGIDD-HNNXBMFYSA-N 1 1 305.219 3.695 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+](CCOC)Cc2ccccc2)cc1 ZINC000768161321 1022907255 /nfs/dbraw/zinc/90/72/55/1022907255.db2.gz XWLLBFPDAZTMIL-UHFFFAOYSA-N 1 1 323.436 3.737 20 30 DHEDMO Cc1cc(C)cc(OCC[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000768211645 1022913532 /nfs/dbraw/zinc/91/35/32/1022913532.db2.gz ANIOXWYXHZDRCZ-UHFFFAOYSA-N 1 1 300.427 3.747 20 30 DHEDMO N#CC1(CNC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCC1 ZINC000418138159 1022968540 /nfs/dbraw/zinc/96/85/40/1022968540.db2.gz GBWHJOZWYBOKAZ-UHFFFAOYSA-N 1 1 317.864 3.588 20 30 DHEDMO CN(c1ccccc1)c1ccc(C[NH2+]CC2(C#N)CCC2)cn1 ZINC000418137325 1022969383 /nfs/dbraw/zinc/96/93/83/1022969383.db2.gz DQPRPCXYXFCZCO-UHFFFAOYSA-N 1 1 306.413 3.633 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857332801 1022989881 /nfs/dbraw/zinc/98/98/81/1022989881.db2.gz HHAWBVVPMYWLDW-SLFFLAALSA-N 1 1 324.468 3.819 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC001212325339 1023002919 /nfs/dbraw/zinc/00/29/19/1023002919.db2.gz PBSAPIIJTJCNRL-KRWDZBQOSA-N 1 1 324.428 3.530 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801572919 1023029988 /nfs/dbraw/zinc/02/99/88/1023029988.db2.gz JHDNIJUWZJWNJZ-CRAIPNDOSA-N 1 1 310.482 3.968 20 30 DHEDMO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000695865958 1023036325 /nfs/dbraw/zinc/03/63/25/1023036325.db2.gz VYGQEWQEKJGIMD-FXAWDEMLSA-N 1 1 313.489 3.817 20 30 DHEDMO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000695866004 1023037174 /nfs/dbraw/zinc/03/71/74/1023037174.db2.gz WZVMXZRRXOGLQB-HKUYNNGSSA-N 1 1 313.489 3.817 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2C2CC2)c1 ZINC000768916301 1023055597 /nfs/dbraw/zinc/05/55/97/1023055597.db2.gz YUSNWFDKPQRIGH-UHFFFAOYSA-N 1 1 318.420 3.616 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2C2CC2)c1 ZINC000768916301 1023055604 /nfs/dbraw/zinc/05/56/04/1023055604.db2.gz YUSNWFDKPQRIGH-UHFFFAOYSA-N 1 1 318.420 3.616 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000181442287 1023097017 /nfs/dbraw/zinc/09/70/17/1023097017.db2.gz XFYDHOKLRDONMN-UHFFFAOYSA-N 1 1 323.415 3.734 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1 ZINC000769308269 1023117420 /nfs/dbraw/zinc/11/74/20/1023117420.db2.gz NXJUSLWRHYEWQY-UWJYYQICSA-N 1 1 321.420 3.661 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cc1 ZINC000769308269 1023117425 /nfs/dbraw/zinc/11/74/25/1023117425.db2.gz NXJUSLWRHYEWQY-UWJYYQICSA-N 1 1 321.420 3.661 20 30 DHEDMO C#CCOc1ccccc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000769316343 1023121303 /nfs/dbraw/zinc/12/13/03/1023121303.db2.gz OCNCJYJYGCNJBM-NRFANRHFSA-N 1 1 321.420 3.662 20 30 DHEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CCc1ccccc1 ZINC000541589523 1023213130 /nfs/dbraw/zinc/21/31/30/1023213130.db2.gz ASGVJQXSEXDWAZ-NRFANRHFSA-N 1 1 322.452 3.764 20 30 DHEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1c(C)onc1CC ZINC000769877697 1023238526 /nfs/dbraw/zinc/23/85/26/1023238526.db2.gz UYTNQRWFMYHNOQ-CYBMUJFWSA-N 1 1 300.402 3.961 20 30 DHEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2cccnc2Cl)CCCC1(C)C ZINC000769952915 1023244824 /nfs/dbraw/zinc/24/48/24/1023244824.db2.gz GWXZFQIFLOTTMB-AWEZNQCLSA-N 1 1 321.852 3.740 20 30 DHEDMO C=CC[C@@H]1[N@H+](CC(=O)Nc2cccnc2Cl)CCCC1(C)C ZINC000769952915 1023244830 /nfs/dbraw/zinc/24/48/30/1023244830.db2.gz GWXZFQIFLOTTMB-AWEZNQCLSA-N 1 1 321.852 3.740 20 30 DHEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000769963494 1023247245 /nfs/dbraw/zinc/24/72/45/1023247245.db2.gz UUADZPYOVPCZSU-SNVBAGLBSA-N 1 1 303.349 3.761 20 30 DHEDMO C#CCCCCCC[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000876687938 1033123090 /nfs/dbraw/zinc/12/30/90/1033123090.db2.gz FKIZPFFLHSUYRE-UHFFFAOYSA-N 1 1 314.473 3.794 20 30 DHEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000876722589 1033127892 /nfs/dbraw/zinc/12/78/92/1033127892.db2.gz ZIEZMRHNQURLAS-UHFFFAOYSA-N 1 1 307.397 3.604 20 30 DHEDMO CCCCCCC[C@@H](CC)[NH2+]C1(C(=O)OCC)CCOCC1 ZINC001172346628 1033131843 /nfs/dbraw/zinc/13/18/43/1033131843.db2.gz KPKZUTKQSDZEML-MRXNPFEDSA-N 1 1 313.482 3.827 20 30 DHEDMO CCCCCCC[C@H](CC)[N@@H+](C)C1CCS(=O)(=O)CC1 ZINC001172354543 1033137444 /nfs/dbraw/zinc/13/74/44/1033137444.db2.gz JORMBHOHQDAPSS-HNNXBMFYSA-N 1 1 303.512 3.635 20 30 DHEDMO CCCCCCC[C@H](CC)[NH2+]CC1CCN(C2COC2)CC1 ZINC001172359471 1033139489 /nfs/dbraw/zinc/13/94/89/1033139489.db2.gz WJWCNDRXWDBWDS-SFHVURJKSA-N 1 1 310.526 3.826 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCSC3(CCCCC3)C2)c1 ZINC000876773320 1033140114 /nfs/dbraw/zinc/14/01/14/1033140114.db2.gz YZSNYMIUKFPDBC-UHFFFAOYSA-N 1 1 321.877 3.858 20 30 DHEDMO C#CC[N@@H+](Cc1nn(C)c2ccccc12)[C@@H]1CCc2ccccc21 ZINC000772596745 1023577588 /nfs/dbraw/zinc/57/75/88/1023577588.db2.gz ALSRYPOTBLASRU-OAQYLSRUSA-N 1 1 315.420 3.696 20 30 DHEDMO C#CC[N@H+](Cc1nn(C)c2ccccc12)[C@@H]1CCc2ccccc21 ZINC000772596745 1023577592 /nfs/dbraw/zinc/57/75/92/1023577592.db2.gz ALSRYPOTBLASRU-OAQYLSRUSA-N 1 1 315.420 3.696 20 30 DHEDMO C=CCCCCC[N@@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000785797233 1023625577 /nfs/dbraw/zinc/62/55/77/1023625577.db2.gz NSDORYLIFDZRHE-HOTGVXAUSA-N 1 1 310.482 3.968 20 30 DHEDMO N#C[C@H]1CC[C@@H]([NH+]2CCN(c3ccc(Cl)cc3Cl)CC2)C1 ZINC000595658950 1023661392 /nfs/dbraw/zinc/66/13/92/1023661392.db2.gz LCMVKQYIAVLFJT-GXTWGEPZSA-N 1 1 324.255 3.808 20 30 DHEDMO C=CCOc1ccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000538732407 1033153888 /nfs/dbraw/zinc/15/38/88/1033153888.db2.gz KMDRBRLCUIFIDK-OAQYLSRUSA-N 1 1 323.436 3.733 20 30 DHEDMO C=CCC[N@@H+](C)CC(=O)c1cc(C)n(Cc2ccccc2)c1C ZINC000786442230 1023693071 /nfs/dbraw/zinc/69/30/71/1023693071.db2.gz DSLGDDZOLYOSCK-UHFFFAOYSA-N 1 1 310.441 3.844 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)c1cc(C)n(Cc2ccccc2)c1C ZINC000786442230 1023693077 /nfs/dbraw/zinc/69/30/77/1023693077.db2.gz DSLGDDZOLYOSCK-UHFFFAOYSA-N 1 1 310.441 3.844 20 30 DHEDMO N#Cc1ccnc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC001170061997 1023715264 /nfs/dbraw/zinc/71/52/64/1023715264.db2.gz IBQUOUQNYHMVHZ-AQNXPRMDSA-N 1 1 303.409 3.721 20 30 DHEDMO C=CC[N@@H+](Cc1nc(-c2ccc(OC)cc2)no1)C(C)(C)C ZINC000661754673 1023729029 /nfs/dbraw/zinc/72/90/29/1023729029.db2.gz AMZKLQVMEKKREQ-UHFFFAOYSA-N 1 1 301.390 3.532 20 30 DHEDMO C=CC[N@H+](Cc1nc(-c2ccc(OC)cc2)no1)C(C)(C)C ZINC000661754673 1023729035 /nfs/dbraw/zinc/72/90/35/1023729035.db2.gz AMZKLQVMEKKREQ-UHFFFAOYSA-N 1 1 301.390 3.532 20 30 DHEDMO COc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc(C(F)(F)F)c1 ZINC001143517527 1023737467 /nfs/dbraw/zinc/73/74/67/1023737467.db2.gz PREYZHKRGBBKCR-GFCCVEGCSA-N 1 1 312.335 3.840 20 30 DHEDMO COc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)cc(C(F)(F)F)c1 ZINC001143517527 1023737474 /nfs/dbraw/zinc/73/74/74/1023737474.db2.gz PREYZHKRGBBKCR-GFCCVEGCSA-N 1 1 312.335 3.840 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000787311580 1023787011 /nfs/dbraw/zinc/78/70/11/1023787011.db2.gz VZVMWKJOGRPVAS-INIZCTEOSA-N 1 1 315.413 3.551 20 30 DHEDMO C[C@@H](CCC#N)CNc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000876838035 1033163002 /nfs/dbraw/zinc/16/30/02/1033163002.db2.gz VMAMGQIRRAPJIS-IRXDYDNUSA-N 1 1 315.461 3.759 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)cc1 ZINC000159158714 1023807100 /nfs/dbraw/zinc/80/71/00/1023807100.db2.gz JLWDRNJZQSEUPZ-MRXNPFEDSA-N 1 1 310.372 3.695 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)cc1 ZINC000159158842 1023808104 /nfs/dbraw/zinc/80/81/04/1023808104.db2.gz JLWDRNJZQSEUPZ-INIZCTEOSA-N 1 1 310.372 3.695 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(Cl)cc1C ZINC000662084854 1023891610 /nfs/dbraw/zinc/89/16/10/1023891610.db2.gz XDPGYWKQSCFQGY-GASCZTMLSA-N 1 1 304.821 3.770 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC(F)F)c(OC)c1 ZINC000662082471 1023895370 /nfs/dbraw/zinc/89/53/70/1023895370.db2.gz VLFINSZXFGXWJW-OKILXGFUSA-N 1 1 309.356 3.980 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662098669 1023902731 /nfs/dbraw/zinc/90/27/31/1023902731.db2.gz HTQXFWIEENIFNR-GJZGRUSLSA-N 1 1 310.235 3.523 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000662098669 1023902740 /nfs/dbraw/zinc/90/27/40/1023902740.db2.gz HTQXFWIEENIFNR-GJZGRUSLSA-N 1 1 310.235 3.523 20 30 DHEDMO C=CCCC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001170085975 1023907886 /nfs/dbraw/zinc/90/78/86/1023907886.db2.gz NUWJNBCMKJYCTE-IAGOWNOFSA-N 1 1 308.466 3.676 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H](C3CC3)C2)ccc1OC ZINC000538751674 1033171006 /nfs/dbraw/zinc/17/10/06/1033171006.db2.gz GUMULULPOPXLBS-QGZVFWFLSA-N 1 1 301.430 3.882 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)c(F)c1 ZINC000788662519 1023921654 /nfs/dbraw/zinc/92/16/54/1023921654.db2.gz DGGUNTGQLMAVGR-CQSZACIVSA-N 1 1 301.752 3.523 20 30 DHEDMO CC(C)CCC[C@H](C)[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001170087762 1023923227 /nfs/dbraw/zinc/92/32/27/1023923227.db2.gz LKMRUYFUKPCLBB-KRWDZBQOSA-N 1 1 314.477 3.680 20 30 DHEDMO C[C@H](C#N)C[N@H+](C)[C@@H]1CCCc2ccc(Br)cc21 ZINC000538781092 1033177052 /nfs/dbraw/zinc/17/70/52/1033177052.db2.gz HGLOROHLWDVAAV-IAQYHMDHSA-N 1 1 307.235 3.918 20 30 DHEDMO C[C@H](C#N)C[N@@H+](C)[C@@H]1CCCc2ccc(Br)cc21 ZINC000538781092 1033177055 /nfs/dbraw/zinc/17/70/55/1033177055.db2.gz HGLOROHLWDVAAV-IAQYHMDHSA-N 1 1 307.235 3.918 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)Cc2csc3ccccc23)n1 ZINC000789332233 1024053085 /nfs/dbraw/zinc/05/30/85/1024053085.db2.gz OXRFBFYAOMKSQT-UHFFFAOYSA-N 1 1 309.438 3.753 20 30 DHEDMO C#CCn1ccc(C[N@H+](CC)Cc2csc3ccccc23)n1 ZINC000789332233 1024053102 /nfs/dbraw/zinc/05/31/02/1024053102.db2.gz OXRFBFYAOMKSQT-UHFFFAOYSA-N 1 1 309.438 3.753 20 30 DHEDMO N#CCOc1ccc(C[N@@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000267643977 1024058681 /nfs/dbraw/zinc/05/86/81/1024058681.db2.gz AHIMWCASMLMWRW-UHFFFAOYSA-N 1 1 312.335 3.753 20 30 DHEDMO Cc1nn(C)c(C)c1C(=O)/C=C/c1[nH+]c(C(C)C)n2ccccc12 ZINC000268032524 1024061484 /nfs/dbraw/zinc/06/14/84/1024061484.db2.gz YKLOXTOTDZZJGL-MDZDMXLPSA-N 1 1 322.412 3.704 20 30 DHEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H](CC)CC(C)C)CCO2 ZINC001172397162 1033182116 /nfs/dbraw/zinc/18/21/16/1033182116.db2.gz JMPMHXDXADBJRQ-CEXWTWQISA-N 1 1 309.494 3.885 20 30 DHEDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268582966 1024131047 /nfs/dbraw/zinc/13/10/47/1024131047.db2.gz CXQDWPMNTMIMKL-KZULUSFZSA-N 1 1 316.351 3.563 20 30 DHEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268644353 1024136761 /nfs/dbraw/zinc/13/67/61/1024136761.db2.gz TXKXLEBALHYMIA-SJORKVTESA-N 1 1 312.438 3.663 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H](C)CCc2ccccc2)n1 ZINC000789761980 1024158913 /nfs/dbraw/zinc/15/89/13/1024158913.db2.gz OBNKMROCIPBNIC-GOSISDBHSA-N 1 1 309.457 3.607 20 30 DHEDMO C[C@H](CCCC#N)[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001172481978 1033195146 /nfs/dbraw/zinc/19/51/46/1033195146.db2.gz AWGGOUNLSDSZLL-LLVKDONJSA-N 1 1 303.793 3.766 20 30 DHEDMO Cc1cccnc1N=NC1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000790185142 1024240002 /nfs/dbraw/zinc/24/00/02/1024240002.db2.gz CMEDLJNNWKFEBT-INIZCTEOSA-N 1 1 308.429 3.700 20 30 DHEDMO C[C@H](CCCC#N)[NH2+][C@H](C(=O)OC(C)(C)C)C1CCCCC1 ZINC001172483766 1033195908 /nfs/dbraw/zinc/19/59/08/1033195908.db2.gz UALHWFBSZVCMAQ-ZBFHGGJFSA-N 1 1 308.466 3.949 20 30 DHEDMO N#Cc1ccc(CO[NH+]=C(N)CCCc2ccccc2)cc1F ZINC000790497950 1024313742 /nfs/dbraw/zinc/31/37/42/1024313742.db2.gz JPPAWBZJIVKLCK-UHFFFAOYSA-N 1 1 311.360 3.719 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CC[C@@H](C)C1)[C@H]2CC ZINC001170139433 1024319686 /nfs/dbraw/zinc/31/96/86/1024319686.db2.gz UXPBNHUCWRSOHH-DFEOGRTESA-N 1 1 304.478 3.597 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2c(F)cccc2OC(F)(F)F)cc1 ZINC000790517786 1024319770 /nfs/dbraw/zinc/31/97/70/1024319770.db2.gz MDRPFRYTJIEACI-UHFFFAOYSA-N 1 1 324.277 3.886 20 30 DHEDMO C=C(Br)C[NH2+]Cc1csc(Br)c1 ZINC000105453571 1024382744 /nfs/dbraw/zinc/38/27/44/1024382744.db2.gz LMVMBIBEGUYIBD-UHFFFAOYSA-N 1 1 311.042 3.509 20 30 DHEDMO COc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)cc1C#N ZINC000883383289 1024418380 /nfs/dbraw/zinc/41/83/80/1024418380.db2.gz WLZWICXOBPXLFX-PKOBYXMFSA-N 1 1 310.372 3.682 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+]C2(c3ccc(F)cc3)CC2)c1 ZINC000877022600 1033209895 /nfs/dbraw/zinc/20/98/95/1033209895.db2.gz OLESVYNSUXQCTQ-UHFFFAOYSA-N 1 1 301.752 3.525 20 30 DHEDMO CC(C)(C#N)CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000791649094 1024535465 /nfs/dbraw/zinc/53/54/65/1024535465.db2.gz REHLTVGSTCTZME-QGZVFWFLSA-N 1 1 314.429 3.524 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000791649094 1024535469 /nfs/dbraw/zinc/53/54/69/1024535469.db2.gz REHLTVGSTCTZME-QGZVFWFLSA-N 1 1 314.429 3.524 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000274261987 1024566296 /nfs/dbraw/zinc/56/62/96/1024566296.db2.gz CHBMIJXONSLFMR-VDZJLULYSA-N 1 1 312.457 3.732 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cn2ccccc2n1 ZINC000585726568 1024574814 /nfs/dbraw/zinc/57/48/14/1024574814.db2.gz SLPWWBGLCBMKMZ-LBPRGKRZSA-N 1 1 310.788 3.710 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274375336 1024576239 /nfs/dbraw/zinc/57/62/39/1024576239.db2.gz XKFKWAVWWGEZHI-JENIJYKNSA-N 1 1 314.473 3.616 20 30 DHEDMO Cc1cc([NH+]2CCCCCC2)ccc1Nc1ncncc1C#N ZINC000584718495 1024637995 /nfs/dbraw/zinc/63/79/95/1024637995.db2.gz QCIIISOHRCQBLH-UHFFFAOYSA-N 1 1 307.401 3.781 20 30 DHEDMO C[C@H](CCCC#N)[N@H+](CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001172494890 1033226248 /nfs/dbraw/zinc/22/62/48/1033226248.db2.gz ZGRMXSGVEPSNOE-MRXNPFEDSA-N 1 1 316.445 3.913 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001172494890 1033226255 /nfs/dbraw/zinc/22/62/55/1033226255.db2.gz ZGRMXSGVEPSNOE-MRXNPFEDSA-N 1 1 316.445 3.913 20 30 DHEDMO Cc1ccc(N2CCC[N@@H+](CC#Cc3ccccc3)CC2)cc1 ZINC000792209921 1024652393 /nfs/dbraw/zinc/65/23/93/1024652393.db2.gz YUAGYPSDILYCIO-UHFFFAOYSA-N 1 1 304.437 3.559 20 30 DHEDMO CCCCCCCCC[N@@H+]1CCn2c(nnc2C(F)F)C1 ZINC000792268105 1024657848 /nfs/dbraw/zinc/65/78/48/1024657848.db2.gz LCFRFOQGYQVDFU-UHFFFAOYSA-N 1 1 300.397 3.782 20 30 DHEDMO CCCCCCCCC[N@H+]1CCn2c(nnc2C(F)F)C1 ZINC000792268105 1024657854 /nfs/dbraw/zinc/65/78/54/1024657854.db2.gz LCFRFOQGYQVDFU-UHFFFAOYSA-N 1 1 300.397 3.782 20 30 DHEDMO C[NH+](C)C[C@H](NCc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000282880624 1024664420 /nfs/dbraw/zinc/66/44/20/1024664420.db2.gz RVFBAJIUAQXTPY-SFHVURJKSA-N 1 1 313.832 3.604 20 30 DHEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC001170183830 1024685213 /nfs/dbraw/zinc/68/52/13/1024685213.db2.gz IQCGYQZPZHCHCT-PKOBYXMFSA-N 1 1 314.473 3.555 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000349243531 1024691380 /nfs/dbraw/zinc/69/13/80/1024691380.db2.gz NCINXXHNFBLNAW-INIZCTEOSA-N 1 1 323.415 3.576 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cccc(C)c1O ZINC000179901523 1024697004 /nfs/dbraw/zinc/69/70/04/1024697004.db2.gz WJATUZMCJQMJKO-UHFFFAOYSA-N 1 1 312.369 3.797 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000349365530 1024707390 /nfs/dbraw/zinc/70/73/90/1024707390.db2.gz HDBMATGHMQOWTB-INIZCTEOSA-N 1 1 302.466 3.998 20 30 DHEDMO C=C(CC)C[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000349365530 1024707401 /nfs/dbraw/zinc/70/74/01/1024707401.db2.gz HDBMATGHMQOWTB-INIZCTEOSA-N 1 1 302.466 3.998 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000349365530 1024707416 /nfs/dbraw/zinc/70/74/16/1024707416.db2.gz HDBMATGHMQOWTB-INIZCTEOSA-N 1 1 302.466 3.998 20 30 DHEDMO C[C@@H](CCCC#N)[N@@H+](C)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001172498869 1033229884 /nfs/dbraw/zinc/22/98/84/1033229884.db2.gz SAYDSPJHOQAFAM-YJBOKZPZSA-N 1 1 323.481 3.790 20 30 DHEDMO C#C[C@H](CC)[NH2+][C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000792640744 1024754834 /nfs/dbraw/zinc/75/48/34/1024754834.db2.gz DOCIRSQMDKBRLZ-MJGOQNOKSA-N 1 1 306.409 3.676 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCn3cccc3C2)CC1 ZINC001170386990 1024760863 /nfs/dbraw/zinc/76/08/63/1024760863.db2.gz PDKCXHTWILVXAR-UHFFFAOYSA-N 1 1 305.425 3.708 20 30 DHEDMO CC[N@H+](CCCN(C)C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170398433 1024763146 /nfs/dbraw/zinc/76/31/46/1024763146.db2.gz PXFLXOKGOABFHH-UHFFFAOYSA-N 1 1 313.489 3.664 20 30 DHEDMO CC[N@@H+](CCCN(C)C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170398433 1024763155 /nfs/dbraw/zinc/76/31/55/1024763155.db2.gz PXFLXOKGOABFHH-UHFFFAOYSA-N 1 1 313.489 3.664 20 30 DHEDMO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)CCCC#N)[C@H](c2ccccc2)C1 ZINC001172509881 1033237450 /nfs/dbraw/zinc/23/74/50/1033237450.db2.gz SJFVOTFXWPFOAP-JQHSSLGASA-N 1 1 314.429 3.695 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CC1 ZINC001170382857 1024767542 /nfs/dbraw/zinc/76/75/42/1024767542.db2.gz FZKAXQFFQMKXFC-OYBTXZFASA-N 1 1 308.425 3.586 20 30 DHEDMO C=CCCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001279271288 1024789731 /nfs/dbraw/zinc/78/97/31/1024789731.db2.gz KAPIWVBWYLJELG-OALUTQOASA-N 1 1 316.493 3.585 20 30 DHEDMO CN(C)c1ccc(C[NH+]2CCC(C#N)CC2)c(C(F)(F)F)c1 ZINC000792800255 1024793982 /nfs/dbraw/zinc/79/39/82/1024793982.db2.gz XOSSERUXKJFBDX-UHFFFAOYSA-N 1 1 311.351 3.507 20 30 DHEDMO COc1cccc(O[C@@H]2CCC[N@H+]([C@@H](C)CCCC#N)C2)c1 ZINC001172507147 1033235637 /nfs/dbraw/zinc/23/56/37/1033235637.db2.gz QBIOHIPCNHBCMX-MAUKXSAKSA-N 1 1 302.418 3.621 20 30 DHEDMO C=C(C)C[N@@H+](CC)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000114712559 1024819040 /nfs/dbraw/zinc/81/90/40/1024819040.db2.gz FNDBZOZEUCWTMM-UHFFFAOYSA-N 1 1 315.373 3.690 20 30 DHEDMO C=C(C)C[N@@H+](CC)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000114712405 1024819479 /nfs/dbraw/zinc/81/94/79/1024819479.db2.gz KYCFYSKGBKYCLG-UHFFFAOYSA-N 1 1 318.442 3.922 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000114712405 1024819498 /nfs/dbraw/zinc/81/94/98/1024819498.db2.gz KYCFYSKGBKYCLG-UHFFFAOYSA-N 1 1 318.442 3.922 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931916840 1024864284 /nfs/dbraw/zinc/86/42/84/1024864284.db2.gz WSRIKQDJMAWALO-SMDDNHRTSA-N 1 1 312.310 3.986 20 30 DHEDMO COC(=O)c1cc(N[NH+]=C2CCCNc3ccccc32)ccc1C ZINC000793098366 1024895122 /nfs/dbraw/zinc/89/51/22/1024895122.db2.gz RTVQGLJADSFKRP-UHFFFAOYSA-N 1 1 323.396 3.804 20 30 DHEDMO C=C(C)CN1CC[C@]2(CC[N@H+](CCCCCCCC)C2)C1=O ZINC001275113599 1024920248 /nfs/dbraw/zinc/92/02/48/1024920248.db2.gz GJWANDXKQKKBOA-IBGZPJMESA-N 1 1 306.494 3.847 20 30 DHEDMO C=CCN1CC[C@]2(CC[N@H+](CC[C@@H](C)CCC=C(C)C)C2)C1=O ZINC001275125659 1024923351 /nfs/dbraw/zinc/92/33/51/1024923351.db2.gz YXZCBXCRMNTHKM-ICSRJNTNSA-N 1 1 318.505 3.869 20 30 DHEDMO CCCCCCCCCC[N@H+]1CCC[C@@]2(CC(=O)N(C)C2=O)C1 ZINC001275119179 1024923986 /nfs/dbraw/zinc/92/39/86/1024923986.db2.gz OEXIYTUMFJEJJE-LJQANCHMSA-N 1 1 322.493 3.598 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000793228096 1024943917 /nfs/dbraw/zinc/94/39/17/1024943917.db2.gz YHFQNZFVIYTEJK-UHFFFAOYSA-N 1 1 311.381 3.699 20 30 DHEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccn(-c3ccccc3)n1)CC2 ZINC000353279742 1025012043 /nfs/dbraw/zinc/01/20/43/1025012043.db2.gz XFZLBOXVEAQZCE-HXUWFJFHSA-N 1 1 314.392 3.521 20 30 DHEDMO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000350457388 1025053865 /nfs/dbraw/zinc/05/38/65/1025053865.db2.gz MTGUOVVSTGRYGO-HXUWFJFHSA-N 1 1 318.424 3.877 20 30 DHEDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000350457388 1025053879 /nfs/dbraw/zinc/05/38/79/1025053879.db2.gz MTGUOVVSTGRYGO-HXUWFJFHSA-N 1 1 318.424 3.877 20 30 DHEDMO C=C(Br)C[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000134402568 1025107987 /nfs/dbraw/zinc/10/79/87/1025107987.db2.gz FHEJVVGJBNNELR-UHFFFAOYSA-N 1 1 306.203 3.847 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1ncccc1C#N ZINC000052245049 1025134175 /nfs/dbraw/zinc/13/41/75/1025134175.db2.gz HGBDKJMZRAZVCV-INIZCTEOSA-N 1 1 320.440 3.940 20 30 DHEDMO CC(C)([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)c1cccs1 ZINC000348328317 1025184439 /nfs/dbraw/zinc/18/44/39/1025184439.db2.gz VYBFEDYJKYRDBV-UHFFFAOYSA-N 1 1 324.409 3.695 20 30 DHEDMO CN(C)c1ccc(C[N@H+](Cc2cccc(F)c2C#N)C2CC2)cc1 ZINC000794276987 1025246047 /nfs/dbraw/zinc/24/60/47/1025246047.db2.gz ZDRFNOBOJFOTHZ-UHFFFAOYSA-N 1 1 323.415 3.928 20 30 DHEDMO CN(C)c1ccc(C[N@@H+](Cc2cccc(F)c2C#N)C2CC2)cc1 ZINC000794276987 1025246057 /nfs/dbraw/zinc/24/60/57/1025246057.db2.gz ZDRFNOBOJFOTHZ-UHFFFAOYSA-N 1 1 323.415 3.928 20 30 DHEDMO C[N@H+](Cc1ccc(OCc2ccncc2)cc1)CC(C)(C)C#N ZINC000354016948 1025322056 /nfs/dbraw/zinc/32/20/56/1025322056.db2.gz FJFQYAQOXYNLRX-UHFFFAOYSA-N 1 1 309.413 3.642 20 30 DHEDMO C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)CC(C)(C)C#N ZINC000354016948 1025322068 /nfs/dbraw/zinc/32/20/68/1025322068.db2.gz FJFQYAQOXYNLRX-UHFFFAOYSA-N 1 1 309.413 3.642 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000932079150 1025339693 /nfs/dbraw/zinc/33/96/93/1025339693.db2.gz NYYORSKSJCKHAE-ZWNOBZJWSA-N 1 1 300.349 3.599 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000932079150 1025339708 /nfs/dbraw/zinc/33/97/08/1025339708.db2.gz NYYORSKSJCKHAE-ZWNOBZJWSA-N 1 1 300.349 3.599 20 30 DHEDMO C=C(CC)C[N@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000539116014 1033277519 /nfs/dbraw/zinc/27/75/19/1033277519.db2.gz LRAKGUIFPWKMRA-HNNXBMFYSA-N 1 1 304.434 3.546 20 30 DHEDMO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC001168234050 1025359120 /nfs/dbraw/zinc/35/91/20/1025359120.db2.gz JSUFHLDJUONOJJ-CPUCHLNUSA-N 1 1 316.420 3.578 20 30 DHEDMO C=C(C)C[N@@H+](CC)Cc1cc2c(cc1Br)OCO2 ZINC000216461463 1025393399 /nfs/dbraw/zinc/39/33/99/1025393399.db2.gz IYEKEAKHVIJNLZ-UHFFFAOYSA-N 1 1 312.207 3.576 20 30 DHEDMO C=C(C)C[N@H+](CC)Cc1cc2c(cc1Br)OCO2 ZINC000216461463 1025393410 /nfs/dbraw/zinc/39/34/10/1025393410.db2.gz IYEKEAKHVIJNLZ-UHFFFAOYSA-N 1 1 312.207 3.576 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@@H+](Cc2ccco2)Cc2ccccc2)CCC1 ZINC000885946072 1025414447 /nfs/dbraw/zinc/41/44/47/1025414447.db2.gz DIRVTAWHDQESBD-GOSISDBHSA-N 1 1 324.424 3.727 20 30 DHEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000885956459 1025419338 /nfs/dbraw/zinc/41/93/38/1025419338.db2.gz QCAKXFQNPCVODU-UKRRQHHQSA-N 1 1 304.459 3.502 20 30 DHEDMO Cc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)CC2(C#N)CCC2)o1 ZINC000886017057 1025441801 /nfs/dbraw/zinc/44/18/01/1025441801.db2.gz RCTUJZLGGIZEJI-SJORKVTESA-N 1 1 316.445 3.950 20 30 DHEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886021463 1025443471 /nfs/dbraw/zinc/44/34/71/1025443471.db2.gz WZPAFVZPDCSUBL-OLMNPRSZSA-N 1 1 316.420 3.653 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)CCC1 ZINC000886033535 1025444748 /nfs/dbraw/zinc/44/47/48/1025444748.db2.gz WOXKOIRBJMTXBF-ROUUACIJSA-N 1 1 316.420 3.798 20 30 DHEDMO C[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001137632888 1025448884 /nfs/dbraw/zinc/44/88/84/1025448884.db2.gz OCIKZGUFOGMRMK-GFCCVEGCSA-N 1 1 307.235 3.943 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000265180452 1033283765 /nfs/dbraw/zinc/28/37/65/1033283765.db2.gz DQFZOFVYXTURFX-IBGZPJMESA-N 1 1 324.449 3.879 20 30 DHEDMO C=CC[N@H+](CCCCn1ccnc1C)Cc1ccccc1F ZINC000125480974 1025477367 /nfs/dbraw/zinc/47/73/67/1025477367.db2.gz AQPSFQSWVOIJDU-UHFFFAOYSA-N 1 1 301.409 3.799 20 30 DHEDMO C[C@@H](C#N)C[N@H+](C)CCCC(=O)c1ccc(Br)cc1 ZINC000050144408 1025496233 /nfs/dbraw/zinc/49/62/33/1025496233.db2.gz ISRLHXYFBLEHKD-LBPRGKRZSA-N 1 1 323.234 3.503 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](C)CCCC(=O)c1ccc(Br)cc1 ZINC000050144408 1025496239 /nfs/dbraw/zinc/49/62/39/1025496239.db2.gz ISRLHXYFBLEHKD-LBPRGKRZSA-N 1 1 323.234 3.503 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3CC[C@@H](C4CC4)O3)CC2)cc1 ZINC000886100278 1025504819 /nfs/dbraw/zinc/50/48/19/1025504819.db2.gz JWRJKUMUTAWGPZ-PMACEKPBSA-N 1 1 308.425 3.605 20 30 DHEDMO C=CCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000860036057 1033287180 /nfs/dbraw/zinc/28/71/80/1033287180.db2.gz GCQBEWYGVNDWOZ-YVSFHVDLSA-N 1 1 320.477 3.530 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3CC[C@H](C4CC4)O3)CC2)cc1 ZINC000886100280 1025506690 /nfs/dbraw/zinc/50/66/90/1025506690.db2.gz JWRJKUMUTAWGPZ-VQTJNVASSA-N 1 1 308.425 3.605 20 30 DHEDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](C[C@@H](O)CC3(C#N)CCC3)C2)c1 ZINC000886125190 1025517748 /nfs/dbraw/zinc/51/77/48/1025517748.db2.gz KWGBMXNLZXCCON-MJGOQNOKSA-N 1 1 312.457 3.538 20 30 DHEDMO C#CCCCCCC[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000877351523 1033289185 /nfs/dbraw/zinc/28/91/85/1033289185.db2.gz MGIVSMXFAVSUFA-UHFFFAOYSA-N 1 1 304.400 3.529 20 30 DHEDMO Cc1cc(Cl)nc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000282951941 1025548572 /nfs/dbraw/zinc/54/85/72/1025548572.db2.gz ZGKIEFRSKSWUEV-LLVKDONJSA-N 1 1 303.768 3.905 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CC=C(c3ccccc3F)CC2)cc1 ZINC000127748856 1025552553 /nfs/dbraw/zinc/55/25/53/1025552553.db2.gz JHCHOTZECBRXLW-FQEVSTJZSA-N 1 1 322.383 3.520 20 30 DHEDMO CC[C@@H]1CC([N@@H+](C)CCC#N)C[C@@H](CC)N1C(=O)OC(C)(C)C ZINC001170477443 1025557284 /nfs/dbraw/zinc/55/72/84/1025557284.db2.gz KGCGOHOXIJAAHG-HUUCEWRRSA-N 1 1 323.481 3.789 20 30 DHEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886220806 1025563752 /nfs/dbraw/zinc/56/37/52/1025563752.db2.gz NDXILXDZVQIACD-JFRXWTBNSA-N 1 1 312.457 3.698 20 30 DHEDMO N#CCCCOc1cccc(C[NH2+]Cc2cc(C3CC3)no2)c1 ZINC000886272190 1025574070 /nfs/dbraw/zinc/57/40/70/1025574070.db2.gz JODFXYWLRPVSQE-UHFFFAOYSA-N 1 1 311.385 3.524 20 30 DHEDMO C[C@H](CCC#N)C[NH2+][C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC000877378732 1033292502 /nfs/dbraw/zinc/29/25/02/1033292502.db2.gz VOZKBWUYLAVWBI-NVXWUHKLSA-N 1 1 316.445 3.674 20 30 DHEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000886355855 1025601894 /nfs/dbraw/zinc/60/18/94/1025601894.db2.gz OTKFJXDKIHVLLI-KGLIPLIRSA-N 1 1 313.376 3.590 20 30 DHEDMO CC[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412893 1025615598 /nfs/dbraw/zinc/61/55/98/1025615598.db2.gz WCWKANMGRDSDKT-OAHLLOKOSA-N 1 1 323.481 3.648 20 30 DHEDMO C[N@@H+](CCC1CCOCC1)Cc1cccc(OCCCC#N)c1 ZINC000129643139 1025626331 /nfs/dbraw/zinc/62/63/31/1025626331.db2.gz SCSMGWJGWUKQJK-UHFFFAOYSA-N 1 1 316.445 3.618 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000129794809 1025631561 /nfs/dbraw/zinc/63/15/61/1025631561.db2.gz CFKNJQNKWYOTSN-KRWDZBQOSA-N 1 1 310.441 3.893 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@](C)(OC)C2)ccc1OC ZINC000355226017 1025647281 /nfs/dbraw/zinc/64/72/81/1025647281.db2.gz UBLDPSBAMZKYRS-IBGZPJMESA-N 1 1 319.445 3.651 20 30 DHEDMO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000805774564 1025668849 /nfs/dbraw/zinc/66/88/49/1025668849.db2.gz NKQOIJQJBMURSQ-MRXNPFEDSA-N 1 1 323.481 3.697 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)O[C@H](C#N)C(C)C)cc1)C(C)C ZINC000805873573 1025694582 /nfs/dbraw/zinc/69/45/82/1025694582.db2.gz LOFSOKLIXFMTEH-QGZVFWFLSA-N 1 1 302.418 3.622 20 30 DHEDMO Cc1cc(NC(=O)c2cccc(SCC#N)c2)cn2cc[nH+]c12 ZINC000355430782 1025719260 /nfs/dbraw/zinc/71/92/60/1025719260.db2.gz KTQAHQUZNWCWNJ-UHFFFAOYSA-N 1 1 322.393 3.511 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)Cn1nccc1-c1ccncc1 ZINC000067094631 1025734518 /nfs/dbraw/zinc/73/45/18/1025734518.db2.gz BEGMPHHXQSNCPX-UHFFFAOYSA-N 1 1 318.424 3.633 20 30 DHEDMO CC(C)C[C@H]1COCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614167421 1025790392 /nfs/dbraw/zinc/79/03/92/1025790392.db2.gz MCGQIAUVHLGZBF-SFHVURJKSA-N 1 1 300.446 3.735 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000614175975 1025809941 /nfs/dbraw/zinc/80/99/41/1025809941.db2.gz YUCNHILHTFMNEK-HXUWFJFHSA-N 1 1 320.436 3.579 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000614175974 1025811162 /nfs/dbraw/zinc/81/11/62/1025811162.db2.gz YUCNHILHTFMNEK-FQEVSTJZSA-N 1 1 320.436 3.579 20 30 DHEDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135605811 1025847771 /nfs/dbraw/zinc/84/77/71/1025847771.db2.gz DHDNUYKVVYZXTD-GOSISDBHSA-N 1 1 322.456 3.731 20 30 DHEDMO N#Cc1c(C[NH+]2CCC(C(F)(F)F)CC2)cn2ccccc12 ZINC000075969439 1025857462 /nfs/dbraw/zinc/85/74/62/1025857462.db2.gz YQEIPQOMZSIEKU-UHFFFAOYSA-N 1 1 307.319 3.585 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2nc(-c3cccs3)oc2C)CC1 ZINC000886757763 1025878816 /nfs/dbraw/zinc/87/88/16/1025878816.db2.gz QRTMZBMIYKWWTB-UHFFFAOYSA-N 1 1 318.442 3.615 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(C#N)cc1 ZINC000353744611 1025887229 /nfs/dbraw/zinc/88/72/29/1025887229.db2.gz GEPVOEAHUHKIRA-GOSISDBHSA-N 1 1 319.452 3.655 20 30 DHEDMO C=CCC1(O)CC[NH+](Cc2nc3cc(C)ccc3s2)CC1 ZINC000886780603 1025902316 /nfs/dbraw/zinc/90/23/16/1025902316.db2.gz SSUQLIUDXJNKIM-UHFFFAOYSA-N 1 1 302.443 3.508 20 30 DHEDMO CC1CCC([N@@H+](Cc2nc(C#N)cs2)C[C@@H]2CCCO2)CC1 ZINC000356111895 1025950044 /nfs/dbraw/zinc/95/00/44/1025950044.db2.gz OFLUIUSHXBGBAR-BCLQGDPASA-N 1 1 319.474 3.574 20 30 DHEDMO CC1CCC([N@H+](Cc2nc(C#N)cs2)C[C@@H]2CCCO2)CC1 ZINC000356111895 1025950050 /nfs/dbraw/zinc/95/00/50/1025950050.db2.gz OFLUIUSHXBGBAR-BCLQGDPASA-N 1 1 319.474 3.574 20 30 DHEDMO N#CCSCCC[N@@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC000887036310 1026025622 /nfs/dbraw/zinc/02/56/22/1026025622.db2.gz BVFUWDPGPJDPGH-MRXNPFEDSA-N 1 1 310.507 3.573 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCS1 ZINC000356434116 1026048281 /nfs/dbraw/zinc/04/82/81/1026048281.db2.gz WCRFEIFKQPCMRJ-LLVKDONJSA-N 1 1 314.376 3.904 20 30 DHEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000090460288 1026077846 /nfs/dbraw/zinc/07/78/46/1026077846.db2.gz LRHJMUDAYDGQIU-CYBMUJFWSA-N 1 1 312.438 3.883 20 30 DHEDMO C[C@@H](CCC#N)[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000411617256 1026079915 /nfs/dbraw/zinc/07/99/15/1026079915.db2.gz LBOCYUGRXCQQOV-LBPRGKRZSA-N 1 1 300.324 3.708 20 30 DHEDMO C=CCCCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000807592561 1026096159 /nfs/dbraw/zinc/09/61/59/1026096159.db2.gz RGTHZUILKRJFBJ-ZWKOTPCHSA-N 1 1 323.525 3.885 20 30 DHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000532967764 1026153685 /nfs/dbraw/zinc/15/36/85/1026153685.db2.gz HRAPZUMCSXAPKX-ZDUSSCGKSA-N 1 1 310.388 3.970 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)cc1OCCCC#N ZINC000245758916 1026200347 /nfs/dbraw/zinc/20/03/47/1026200347.db2.gz PFNUKLQSJRXHOW-HZPDHXFCSA-N 1 1 316.445 3.856 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000052162191 1026253647 /nfs/dbraw/zinc/25/36/47/1026253647.db2.gz OXHHCLUAKMJSTD-AWEZNQCLSA-N 1 1 306.837 3.533 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000052162191 1026253658 /nfs/dbraw/zinc/25/36/58/1026253658.db2.gz OXHHCLUAKMJSTD-AWEZNQCLSA-N 1 1 306.837 3.533 20 30 DHEDMO CCCC1CCC([N@@H+](CCC(=O)N(C)CCC#N)C(C)C)CC1 ZINC000356988172 1026262377 /nfs/dbraw/zinc/26/23/77/1026262377.db2.gz QIZWERASKHMTAG-UHFFFAOYSA-N 1 1 321.509 3.818 20 30 DHEDMO CCC[N@@H+](CCC(=O)N(C)CCC#N)[C@@H](CC)c1ccccc1 ZINC000357005374 1026270799 /nfs/dbraw/zinc/27/07/99/1026270799.db2.gz MLJYZLDHRPDTRA-SFHVURJKSA-N 1 1 315.461 3.612 20 30 DHEDMO CN(CCC#N)c1ccc(C[NH2+]C2(C(F)F)CCCC2)cc1 ZINC000808452027 1026292261 /nfs/dbraw/zinc/29/22/61/1026292261.db2.gz VLGSKXSXRPURCL-UHFFFAOYSA-N 1 1 307.388 3.704 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)c(F)c1 ZINC000120624594 1026340880 /nfs/dbraw/zinc/34/08/80/1026340880.db2.gz LAGHFUGWXDYTRX-UHFFFAOYSA-N 1 1 310.372 3.815 20 30 DHEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)C(C)C)cc1C ZINC000747530458 1026411261 /nfs/dbraw/zinc/41/12/61/1026411261.db2.gz LMICWTDCOWWFEV-QGZVFWFLSA-N 1 1 315.461 3.526 20 30 DHEDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000513270685 1026468122 /nfs/dbraw/zinc/46/81/22/1026468122.db2.gz GLLLZJWTJRFKKV-HNAYVOBHSA-N 1 1 319.408 3.580 20 30 DHEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@H](c3ccncc3)C2)cc1 ZINC000809567743 1026553271 /nfs/dbraw/zinc/55/32/71/1026553271.db2.gz OWMWAAWIYLDBIF-IBGZPJMESA-N 1 1 321.424 3.602 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)cc1 ZINC000809581958 1026556952 /nfs/dbraw/zinc/55/69/52/1026556952.db2.gz QXIIOIMJEIAUMO-HXUWFJFHSA-N 1 1 309.384 3.689 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(C)c3)C2)cc1 ZINC000809581958 1026556959 /nfs/dbraw/zinc/55/69/59/1026556959.db2.gz QXIIOIMJEIAUMO-HXUWFJFHSA-N 1 1 309.384 3.689 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1cc(OC)ccc1O)c1ccc(Cl)cc1F ZINC000809698564 1026587254 /nfs/dbraw/zinc/58/72/54/1026587254.db2.gz CNWHODXJKATLQI-MRXNPFEDSA-N 1 1 319.763 3.657 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)cc1 ZINC000809700474 1026587804 /nfs/dbraw/zinc/58/78/04/1026587804.db2.gz HEKPXEMULZQPBG-PKOBYXMFSA-N 1 1 315.457 3.604 20 30 DHEDMO Cc1ccc(N=NCC(C)(C)C[N@@H+](C)Cc2ccccc2)nc1 ZINC000747630194 1026849215 /nfs/dbraw/zinc/84/92/15/1026849215.db2.gz KEFBHPTUHLNVAL-UHFFFAOYSA-N 1 1 310.445 3.946 20 30 DHEDMO C=CCC[C@H](C(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000810841854 1026867253 /nfs/dbraw/zinc/86/72/53/1026867253.db2.gz OAGTYUSQKBKOMW-QRVBRYPASA-N 1 1 313.441 3.906 20 30 DHEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)OC2(CC#N)CCC2)cc1 ZINC000810857632 1026877199 /nfs/dbraw/zinc/87/71/99/1026877199.db2.gz VWFGUJPLYRGMGO-UHFFFAOYSA-N 1 1 314.429 3.912 20 30 DHEDMO CC(C)C[C@@H](C[N@H+](CCC#N)C(C)C)NC(=O)OC(C)(C)C ZINC000811456399 1027004544 /nfs/dbraw/zinc/00/45/44/1027004544.db2.gz NUXPSRJVLPMOFH-HNNXBMFYSA-N 1 1 311.470 3.550 20 30 DHEDMO CC(C)C[C@@H](C[N@@H+](CCC#N)C(C)C)NC(=O)OC(C)(C)C ZINC000811456399 1027004548 /nfs/dbraw/zinc/00/45/48/1027004548.db2.gz NUXPSRJVLPMOFH-HNNXBMFYSA-N 1 1 311.470 3.550 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc(Cl)cc1 ZINC000811516830 1027018339 /nfs/dbraw/zinc/01/83/39/1027018339.db2.gz CBBXWKMAXZCRRA-IBGZPJMESA-N 1 1 321.811 3.990 20 30 DHEDMO CCCC[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1O ZINC000811501883 1027022434 /nfs/dbraw/zinc/02/24/34/1027022434.db2.gz BOCIJSRNVRAGQF-UHFFFAOYSA-N 1 1 301.415 3.523 20 30 DHEDMO CCCC[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1O ZINC000811501883 1027022441 /nfs/dbraw/zinc/02/24/41/1027022441.db2.gz BOCIJSRNVRAGQF-UHFFFAOYSA-N 1 1 301.415 3.523 20 30 DHEDMO CC(=[NH+]NC[C@H]1CCSC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000811660986 1027053963 /nfs/dbraw/zinc/05/39/63/1027053963.db2.gz CJGWCTYYYUFTPW-SECBINFHSA-N 1 1 318.273 3.642 20 30 DHEDMO C[N@@H+](CCNc1nc2ccccc2cc1C#N)C1CCCCC1 ZINC000811765267 1027086313 /nfs/dbraw/zinc/08/63/13/1027086313.db2.gz GGAFZPQJTLNHKU-UHFFFAOYSA-N 1 1 308.429 3.783 20 30 DHEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000156532858 1027123051 /nfs/dbraw/zinc/12/30/51/1027123051.db2.gz JIUPOHIOCBLHGL-UAOJZALGSA-N 1 1 324.399 3.814 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1(SC)CCC1 ZINC000572084775 1027169736 /nfs/dbraw/zinc/16/97/36/1027169736.db2.gz BZZMBLXMZYRKBQ-UHFFFAOYSA-N 1 1 306.431 3.869 20 30 DHEDMO N#Cc1ccccc1N1CCC[N@H+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000572141095 1027173506 /nfs/dbraw/zinc/17/35/06/1027173506.db2.gz PVSCXOYJKSFSJD-HNNXBMFYSA-N 1 1 319.399 3.506 20 30 DHEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)C1 ZINC000362385319 1027175350 /nfs/dbraw/zinc/17/53/50/1027175350.db2.gz XABOCWNTNHNYRG-JKSUJKDBSA-N 1 1 313.470 3.917 20 30 DHEDMO CC(C)(C)[C@@H]1CSCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000931593281 1027182057 /nfs/dbraw/zinc/18/20/57/1027182057.db2.gz WHEBQXRQRGQSFP-HNNXBMFYSA-N 1 1 310.507 3.550 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC001170662262 1027183522 /nfs/dbraw/zinc/18/35/22/1027183522.db2.gz YLXFMCUXAGPLOE-QGZVFWFLSA-N 1 1 322.880 3.568 20 30 DHEDMO COC(=O)CC[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000931618353 1027191687 /nfs/dbraw/zinc/19/16/87/1027191687.db2.gz DNOJIUBLQLMVDK-INIZCTEOSA-N 1 1 306.450 3.516 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000362433577 1027205031 /nfs/dbraw/zinc/20/50/31/1027205031.db2.gz FTMBJPBLTFKWDR-NVXWUHKLSA-N 1 1 318.461 3.786 20 30 DHEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000362456760 1027220450 /nfs/dbraw/zinc/22/04/50/1027220450.db2.gz XEXXCOIHYIEYKZ-CQSZACIVSA-N 1 1 301.459 3.774 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931793638 1027258979 /nfs/dbraw/zinc/25/89/79/1027258979.db2.gz GLDAUPQVGJBUNL-SFHVURJKSA-N 1 1 308.429 3.687 20 30 DHEDMO CC(=[NH+]Nc1ccc(C)cc1)c1cccc(N2CCOCC2)c1 ZINC000812372761 1027266519 /nfs/dbraw/zinc/26/65/19/1027266519.db2.gz PPEKZXFRBJUQLV-UHFFFAOYSA-N 1 1 309.413 3.668 20 30 DHEDMO CC(=[NH+]Nc1cc(C)ccc1C)c1cccc(N2CCOCC2)c1 ZINC000812435708 1027280546 /nfs/dbraw/zinc/28/05/46/1027280546.db2.gz RWTUQAMEVDSBIK-UHFFFAOYSA-N 1 1 323.440 3.976 20 30 DHEDMO C=CCCCCCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000812493384 1027299731 /nfs/dbraw/zinc/29/97/31/1027299731.db2.gz HVHMNUAEJDKMJS-ZWKOTPCHSA-N 1 1 321.509 3.639 20 30 DHEDMO Cc1ccc(CC[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC000574194032 1027370290 /nfs/dbraw/zinc/37/02/90/1027370290.db2.gz VSVNDGGCKKNCFB-UHFFFAOYSA-N 1 1 308.425 3.558 20 30 DHEDMO C=CCC[C@H](N[C@H](C)C1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423004893 1027391328 /nfs/dbraw/zinc/39/13/28/1027391328.db2.gz QENFONUPCLUZRQ-WBMJQRKESA-N 1 1 312.379 3.910 20 30 DHEDMO C=CCSc1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000362817439 1027399788 /nfs/dbraw/zinc/39/97/88/1027399788.db2.gz LJXQTOKAUVDMAW-HUUCEWRRSA-N 1 1 318.486 3.519 20 30 DHEDMO C=CCOc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423099517 1027415141 /nfs/dbraw/zinc/41/51/41/1027415141.db2.gz FIRNOECBBMRLFF-SLFFLAALSA-N 1 1 314.473 3.652 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1ccc(OCC)c(F)c1)c1ccc(F)cc1 ZINC000812792249 1027419954 /nfs/dbraw/zinc/41/99/54/1027419954.db2.gz QRXXKFUGWXAYBO-QGZVFWFLSA-N 1 1 301.336 3.828 20 30 DHEDMO Cn1nccc1[C@@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000932268451 1027433567 /nfs/dbraw/zinc/43/35/67/1027433567.db2.gz CQDAQSWONRJRFG-SFHVURJKSA-N 1 1 308.429 3.558 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2nnc([C@@H](C)CC)[nH]2)cc1 ZINC000362911412 1027439278 /nfs/dbraw/zinc/43/92/78/1027439278.db2.gz BTSUCOLJBQQDRZ-KBPBESRZSA-N 1 1 314.433 3.734 20 30 DHEDMO CC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812847308 1027442395 /nfs/dbraw/zinc/44/23/95/1027442395.db2.gz ANDAHQBFBHWCLX-OXQOHEQNSA-N 1 1 308.425 3.811 20 30 DHEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812852289 1027449062 /nfs/dbraw/zinc/44/90/62/1027449062.db2.gz XKJYUKWEUUZOTN-AUUYWEPGSA-N 1 1 312.388 3.641 20 30 DHEDMO C=CCCCCCCCCC[N@@H+]1CCC[C@]12CCN(C)C2=O ZINC001275805773 1027491459 /nfs/dbraw/zinc/49/14/59/1027491459.db2.gz ZBALTRCQEZZPKZ-LJQANCHMSA-N 1 1 306.494 3.990 20 30 DHEDMO CC1(C#N)CC[NH+](Cc2ccc(OCc3ccccc3)nc2)CC1 ZINC000575813325 1027507556 /nfs/dbraw/zinc/50/75/56/1027507556.db2.gz ZZVCTRXEWPTEKW-UHFFFAOYSA-N 1 1 321.424 3.786 20 30 DHEDMO Cc1c([C@H]2CCC[N@H+]2Cc2ccccc2C(C)(C)C#N)cnn1C ZINC000363152414 1027536376 /nfs/dbraw/zinc/53/63/76/1027536376.db2.gz VWYJABPHNRDMHL-LJQANCHMSA-N 1 1 322.456 3.867 20 30 DHEDMO CCc1ccccc1[C@H]([NH3+])CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000423505268 1027568285 /nfs/dbraw/zinc/56/82/85/1027568285.db2.gz OGQNMVMPIGSAJP-BFUOFWGJSA-N 1 1 311.404 3.610 20 30 DHEDMO C[NH+](C)Cc1cc(NC(=O)c2ccsc2C#N)ccc1Cl ZINC001297081196 1027573067 /nfs/dbraw/zinc/57/30/67/1027573067.db2.gz WVZLVAUDYSODFB-UHFFFAOYSA-N 1 1 319.817 3.587 20 30 DHEDMO C[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1ccc(C#N)cc1F ZINC000423522670 1027580456 /nfs/dbraw/zinc/58/04/56/1027580456.db2.gz VEBDETHBIUXVTO-KUHUBIRLSA-N 1 1 311.404 3.828 20 30 DHEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc2cncn2c1 ZINC000562738279 1027586657 /nfs/dbraw/zinc/58/66/57/1027586657.db2.gz FMZCJXZGKKZINR-FQEVSTJZSA-N 1 1 316.408 3.763 20 30 DHEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCCC1CCCC1 ZINC001275830537 1027614073 /nfs/dbraw/zinc/61/40/73/1027614073.db2.gz PBPZXTXTEJSUTQ-IBGZPJMESA-N 1 1 304.478 3.600 20 30 DHEDMO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932939239 1027655522 /nfs/dbraw/zinc/65/55/22/1027655522.db2.gz DVUUQNAIPQZNGB-OCAPTIKFSA-N 1 1 323.227 3.665 20 30 DHEDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)n1 ZINC000933127884 1027683973 /nfs/dbraw/zinc/68/39/73/1027683973.db2.gz MIXJYXKWHRNEAX-AWEZNQCLSA-N 1 1 315.417 3.527 20 30 DHEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000933456798 1027740514 /nfs/dbraw/zinc/74/05/14/1027740514.db2.gz NNDYJVXQVSLOHX-VKJFTORMSA-N 1 1 320.502 3.850 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2CC2=CC[C@@H](C(=C)C)CC2)C1=O ZINC001275856705 1027743546 /nfs/dbraw/zinc/74/35/46/1027743546.db2.gz IWXKRFRJZIJUHV-QUCCMNQESA-N 1 1 314.473 3.542 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)c1ccc(Cl)cc1 ZINC000778995934 1027746014 /nfs/dbraw/zinc/74/60/14/1027746014.db2.gz GGEDESDZNQCSTE-KRWDZBQOSA-N 1 1 305.805 3.697 20 30 DHEDMO C[C@@H](c1ccccc1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000023039461 1027779647 /nfs/dbraw/zinc/77/96/47/1027779647.db2.gz VDCQAVNVPZFPOJ-ZDUSSCGKSA-N 1 1 313.426 3.641 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@H+](CC[C@@H]3CCCC3(F)F)CCO2)cc1 ZINC000933629459 1027782216 /nfs/dbraw/zinc/78/22/16/1027782216.db2.gz BXZLPPRBXJKUIU-IRXDYDNUSA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)CCO2)cc1 ZINC000933629459 1027782220 /nfs/dbraw/zinc/78/22/20/1027782220.db2.gz BXZLPPRBXJKUIU-IRXDYDNUSA-N 1 1 320.383 3.757 20 30 DHEDMO C=CC1CCN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000934068967 1027898057 /nfs/dbraw/zinc/89/80/57/1027898057.db2.gz GWYZNAJPXXFSNV-UHFFFAOYSA-N 1 1 314.433 3.502 20 30 DHEDMO C=CC[C@H]1CCN(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000934086781 1027900971 /nfs/dbraw/zinc/90/09/71/1027900971.db2.gz BPNDBOHTKPHUCC-HNNXBMFYSA-N 1 1 314.433 3.502 20 30 DHEDMO Cc1cccnc1[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)C ZINC000563215037 1027936408 /nfs/dbraw/zinc/93/64/08/1027936408.db2.gz HLWGEZIETIGFJY-QGZVFWFLSA-N 1 1 324.384 3.657 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c1 ZINC000934330423 1027967483 /nfs/dbraw/zinc/96/74/83/1027967483.db2.gz XLUIORREMKYCBY-GFCCVEGCSA-N 1 1 317.845 3.733 20 30 DHEDMO C[C@@H](NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(C#N)cc1F ZINC000527952001 1027986361 /nfs/dbraw/zinc/98/63/61/1027986361.db2.gz SGRIYDLNHVYTDT-RHSMWYFYSA-N 1 1 315.436 3.755 20 30 DHEDMO C[C@@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1ccc(C#N)cc1F ZINC000527952001 1027986377 /nfs/dbraw/zinc/98/63/77/1027986377.db2.gz SGRIYDLNHVYTDT-RHSMWYFYSA-N 1 1 315.436 3.755 20 30 DHEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@]2(C#N)C[C@@H]2C)c1 ZINC000448728531 1028001734 /nfs/dbraw/zinc/00/17/34/1028001734.db2.gz HESQYGPQPZIKAD-LIRRHRJNSA-N 1 1 322.412 3.543 20 30 DHEDMO Cc1nnc([C@H](C)[NH2+][C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000578000264 1028011248 /nfs/dbraw/zinc/01/12/48/1028011248.db2.gz WTXFOLMWUBGCTR-ZBEGNZNMSA-N 1 1 312.442 3.837 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000299096854 1028012665 /nfs/dbraw/zinc/01/26/65/1028012665.db2.gz USSIKWVBMLLWOQ-CQSZACIVSA-N 1 1 323.396 3.720 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000299096854 1028012686 /nfs/dbraw/zinc/01/26/86/1028012686.db2.gz USSIKWVBMLLWOQ-CQSZACIVSA-N 1 1 323.396 3.720 20 30 DHEDMO C=CCCC[N@H+](CC)CC[C@@H]1Sc2ccccc2NC1=O ZINC000934646609 1028060665 /nfs/dbraw/zinc/06/06/65/1028060665.db2.gz ISICABOMRXABBP-INIZCTEOSA-N 1 1 304.459 3.778 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000934877125 1028136778 /nfs/dbraw/zinc/13/67/78/1028136778.db2.gz RRVDPNNECMNRPJ-WMZOPIPTSA-N 1 1 313.445 3.668 20 30 DHEDMO C=C(C)c1cccc(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000934884681 1028142323 /nfs/dbraw/zinc/14/23/23/1028142323.db2.gz CPRQFRCXVSTIAR-OAHLLOKOSA-N 1 1 301.434 3.573 20 30 DHEDMO C=C(C)c1cccc(NC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000934887847 1028143977 /nfs/dbraw/zinc/14/39/77/1028143977.db2.gz SYAQNCFXKLGEFP-OAHLLOKOSA-N 1 1 315.461 3.962 20 30 DHEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000814672159 1028148149 /nfs/dbraw/zinc/14/81/49/1028148149.db2.gz BPXQANDAPSOOKG-DLBZAZTESA-N 1 1 322.493 3.922 20 30 DHEDMO C[C@@H](c1cccs1)[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563715716 1028174345 /nfs/dbraw/zinc/17/43/45/1028174345.db2.gz LILHCKYMFZKIJZ-NSHDSACASA-N 1 1 301.371 3.721 20 30 DHEDMO C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563715716 1028174353 /nfs/dbraw/zinc/17/43/53/1028174353.db2.gz LILHCKYMFZKIJZ-NSHDSACASA-N 1 1 301.371 3.721 20 30 DHEDMO CCC[N@@H+](CCCc1cc(CC)no1)Cc1ccc(C#N)cc1 ZINC000578698863 1028220676 /nfs/dbraw/zinc/22/06/76/1028220676.db2.gz MZZQOEPYNDRHEK-UHFFFAOYSA-N 1 1 311.429 3.953 20 30 DHEDMO C[C@H](N[NH+]=C1CC(C)(C)Cc2nc(N)sc21)c1ccccc1 ZINC000814815251 1028223442 /nfs/dbraw/zinc/22/34/42/1028223442.db2.gz RJPCZFCHFRUPCY-NSHDSACASA-N 1 1 314.458 3.753 20 30 DHEDMO C[C@@H]1CCC[C@H](C[N@@H+](C)CCOCc2ccc(C#N)cc2)C1 ZINC001170769363 1028248389 /nfs/dbraw/zinc/24/83/89/1028248389.db2.gz PTLQTHAWDNBFHW-APWZRJJASA-N 1 1 300.446 3.833 20 30 DHEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccnc2c(Br)cccc12 ZINC000449018789 1028254630 /nfs/dbraw/zinc/25/46/30/1028254630.db2.gz UCISMDKTLATWCH-NSHDSACASA-N 1 1 318.218 3.589 20 30 DHEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccnc2c(Br)cccc12 ZINC000449018789 1028254641 /nfs/dbraw/zinc/25/46/41/1028254641.db2.gz UCISMDKTLATWCH-NSHDSACASA-N 1 1 318.218 3.589 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC[C@H](O)c1ccccc1 ZINC000368011277 1028274646 /nfs/dbraw/zinc/27/46/46/1028274646.db2.gz XCQFYJZSJWGAME-HBMCJLEFSA-N 1 1 320.436 3.882 20 30 DHEDMO C[C@H]1C(=NOCc2cccnc2)CCC[N@@H+]1Cc1ccccc1 ZINC000814884410 1028281271 /nfs/dbraw/zinc/28/12/71/1028281271.db2.gz WZYIPIMQOLDNOX-INIZCTEOSA-N 1 1 309.413 3.639 20 30 DHEDMO N#CCCCOc1cccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000368041342 1028287261 /nfs/dbraw/zinc/28/72/61/1028287261.db2.gz KTZBMZBNBCNHHY-IBGZPJMESA-N 1 1 324.428 3.819 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c1 ZINC000368041342 1028287282 /nfs/dbraw/zinc/28/72/82/1028287282.db2.gz KTZBMZBNBCNHHY-IBGZPJMESA-N 1 1 324.428 3.819 20 30 DHEDMO C[C@@H]1C(N=Nc2cccc(F)n2)CCC[N@H+]1Cc1ccccc1 ZINC000814928137 1028287318 /nfs/dbraw/zinc/28/73/18/1028287318.db2.gz YDZZKAFQXLUPAP-CQSZACIVSA-N 1 1 312.392 3.673 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cccnc1C(F)(F)F ZINC000528342377 1028296206 /nfs/dbraw/zinc/29/62/06/1028296206.db2.gz QTQPUOGQBQATBY-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccnc1C(F)(F)F ZINC000528342377 1028296224 /nfs/dbraw/zinc/29/62/24/1028296224.db2.gz QTQPUOGQBQATBY-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C=CCCCC[C@@H](C)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000449052386 1028315430 /nfs/dbraw/zinc/31/54/30/1028315430.db2.gz DQBJSJOXHWFKGK-OAHLLOKOSA-N 1 1 303.450 3.734 20 30 DHEDMO C=CCOCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000815060467 1028342551 /nfs/dbraw/zinc/34/25/51/1028342551.db2.gz UKWFNZKUJMVIRI-RBUKOAKNSA-N 1 1 303.446 3.557 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(OC)c(C)cc1O ZINC000159992115 1028372233 /nfs/dbraw/zinc/37/22/33/1028372233.db2.gz XSTNJKVGOQGPGG-UHFFFAOYSA-N 1 1 322.408 3.769 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)cc1 ZINC000815152874 1028382090 /nfs/dbraw/zinc/38/20/90/1028382090.db2.gz YNOBTJASQICDFI-UHFFFAOYSA-N 1 1 307.315 3.959 20 30 DHEDMO COCC[C@H]1CCCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000368659940 1028390852 /nfs/dbraw/zinc/39/08/52/1028390852.db2.gz QCKCSAQHGOCKAS-IAGOWNOFSA-N 1 1 316.445 3.616 20 30 DHEDMO Cc1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc(C)c1O ZINC001211903973 1028433737 /nfs/dbraw/zinc/43/37/37/1028433737.db2.gz NGWJEMVVZQLLEJ-UHFFFAOYSA-N 1 1 313.426 3.674 20 30 DHEDMO C=CC[N@@H+](CCOC)Cc1cnc(CCc2ccccc2)s1 ZINC000449283978 1028511337 /nfs/dbraw/zinc/51/13/37/1028511337.db2.gz MZGCGZPNCDOSOI-UHFFFAOYSA-N 1 1 316.470 3.563 20 30 DHEDMO C=CC[N@H+](CCOC)Cc1cnc(CCc2ccccc2)s1 ZINC000449283978 1028511348 /nfs/dbraw/zinc/51/13/48/1028511348.db2.gz MZGCGZPNCDOSOI-UHFFFAOYSA-N 1 1 316.470 3.563 20 30 DHEDMO CC(C)c1nccn1C[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000370000466 1028551290 /nfs/dbraw/zinc/55/12/90/1028551290.db2.gz YITWYDQVWZZTCD-INIZCTEOSA-N 1 1 302.466 3.801 20 30 DHEDMO CCc1nccc([C@H]2CCC[N@@H+](CCCC(C)(C)C#N)C2)n1 ZINC000369996564 1028552406 /nfs/dbraw/zinc/55/24/06/1028552406.db2.gz DNUXTWWAGFAGAI-HNNXBMFYSA-N 1 1 300.450 3.548 20 30 DHEDMO CC1CC[NH+](C[C@@H]2CCCN(CCCC(C)(C)C#N)C2)CC1 ZINC000370003315 1028552921 /nfs/dbraw/zinc/55/29/21/1028552921.db2.gz ZUMFLMFZFHUIHJ-GOSISDBHSA-N 1 1 305.510 3.760 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000565322451 1028573766 /nfs/dbraw/zinc/57/37/66/1028573766.db2.gz WQHKMIBSLPAWOD-HNNXBMFYSA-N 1 1 306.475 3.527 20 30 DHEDMO COc1cccc([C@H]2C[N@H+](C[C@@H](C#N)CCC#N)CC2(C)C)c1 ZINC000528619920 1028591996 /nfs/dbraw/zinc/59/19/96/1028591996.db2.gz NBYQWVRNRFSBJO-CRAIPNDOSA-N 1 1 311.429 3.564 20 30 DHEDMO COc1cccc([C@H]2C[N@@H+](C[C@@H](C#N)CCC#N)CC2(C)C)c1 ZINC000528619920 1028592020 /nfs/dbraw/zinc/59/20/20/1028592020.db2.gz NBYQWVRNRFSBJO-CRAIPNDOSA-N 1 1 311.429 3.564 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@](C)(COC)C2)cc1Cl ZINC000449391384 1028608388 /nfs/dbraw/zinc/60/83/88/1028608388.db2.gz IEIBMBWIHFSQPI-KRWDZBQOSA-N 1 1 309.837 3.763 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000449458740 1028659758 /nfs/dbraw/zinc/65/97/58/1028659758.db2.gz WQLUJZWAHVPGDA-AQNXPRMDSA-N 1 1 315.457 3.767 20 30 DHEDMO COc1cncc(/C=C\CC[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000566156204 1028682470 /nfs/dbraw/zinc/68/24/70/1028682470.db2.gz RNPJYLUAEYFITE-YVMONPNESA-N 1 1 301.434 3.755 20 30 DHEDMO Cc1cnc(CC[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)c1 ZINC000566171057 1028685203 /nfs/dbraw/zinc/68/52/03/1028685203.db2.gz ZASAXFTZQNSWEB-UHFFFAOYSA-N 1 1 317.436 3.902 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)no1 ZINC000371391693 1028703550 /nfs/dbraw/zinc/70/35/50/1028703550.db2.gz DBOCXSJPHKWMBL-KSSFIOAISA-N 1 1 311.385 3.611 20 30 DHEDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(O[C@@H](C)C#N)cc2)no1 ZINC000371391693 1028703566 /nfs/dbraw/zinc/70/35/66/1028703566.db2.gz DBOCXSJPHKWMBL-KSSFIOAISA-N 1 1 311.385 3.611 20 30 DHEDMO C=C[C@H](CC)CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC001135462222 1028784171 /nfs/dbraw/zinc/78/41/71/1028784171.db2.gz XWFZPGBJFYUOMD-CZUORRHYSA-N 1 1 308.853 3.661 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000372019097 1028790259 /nfs/dbraw/zinc/79/02/59/1028790259.db2.gz RETFJANLLAZVKU-RTBURBONSA-N 1 1 314.404 3.569 20 30 DHEDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000372179338 1028816688 /nfs/dbraw/zinc/81/66/88/1028816688.db2.gz GHVRFMMUJJJILI-GOSISDBHSA-N 1 1 313.832 3.571 20 30 DHEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000372179338 1028816695 /nfs/dbraw/zinc/81/66/95/1028816695.db2.gz GHVRFMMUJJJILI-GOSISDBHSA-N 1 1 313.832 3.571 20 30 DHEDMO C=CC[N@H+](CCCCn1ccnc1C)Cc1ccc(OC)cc1 ZINC000119364074 1028854901 /nfs/dbraw/zinc/85/49/01/1028854901.db2.gz KDIANACULNTMEY-UHFFFAOYSA-N 1 1 313.445 3.669 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)cc1 ZINC000372433836 1028855245 /nfs/dbraw/zinc/85/52/45/1028855245.db2.gz QIEZHNSRDWQNCH-CJNGLKHVSA-N 1 1 313.426 3.771 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2nccs2)cc1 ZINC000372433836 1028855261 /nfs/dbraw/zinc/85/52/61/1028855261.db2.gz QIEZHNSRDWQNCH-CJNGLKHVSA-N 1 1 313.426 3.771 20 30 DHEDMO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1F ZINC000567278686 1028865524 /nfs/dbraw/zinc/86/55/24/1028865524.db2.gz GDWSSMFCEIEJQI-VNBZBWLYSA-N 1 1 316.351 3.609 20 30 DHEDMO C=CCCO[C@@H](C)C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000372585973 1028873753 /nfs/dbraw/zinc/87/37/53/1028873753.db2.gz SEYKOOAHGNBYGN-HNNXBMFYSA-N 1 1 316.445 3.578 20 30 DHEDMO N#Cc1c(F)ccc(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1Cl ZINC000372967350 1028927395 /nfs/dbraw/zinc/92/73/95/1028927395.db2.gz MUUZKPRWHZNXME-ZDUSSCGKSA-N 1 1 322.811 3.599 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816594191 1028938218 /nfs/dbraw/zinc/93/82/18/1028938218.db2.gz SNMYRZYNZWGSMD-INIZCTEOSA-N 1 1 316.763 3.833 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000373072462 1028946533 /nfs/dbraw/zinc/94/65/33/1028946533.db2.gz XOIRIYSIKAWURU-UHFFFAOYSA-N 1 1 324.472 3.790 20 30 DHEDMO CCn1c(C[NH+]2CCC(CCC#N)CC2)nc2cc(F)ccc21 ZINC000567789839 1028956574 /nfs/dbraw/zinc/95/65/74/1028956574.db2.gz GALNAISXHPNTCS-UHFFFAOYSA-N 1 1 314.408 3.711 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000816622152 1028967225 /nfs/dbraw/zinc/96/72/25/1028967225.db2.gz YFLMWTRWJMFCCD-BEFAXECRSA-N 1 1 321.424 3.956 20 30 DHEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000816622152 1028967246 /nfs/dbraw/zinc/96/72/46/1028967246.db2.gz YFLMWTRWJMFCCD-BEFAXECRSA-N 1 1 321.424 3.956 20 30 DHEDMO N#CCCC1CC[NH+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000567905127 1028972169 /nfs/dbraw/zinc/97/21/69/1028972169.db2.gz DWECEWSSSSDTBA-UHFFFAOYSA-N 1 1 312.335 3.927 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1OC ZINC000567906264 1028973113 /nfs/dbraw/zinc/97/31/13/1028973113.db2.gz VFQOQQGDAXDVMT-GOSISDBHSA-N 1 1 324.424 3.645 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000411167926 1029055577 /nfs/dbraw/zinc/05/55/77/1029055577.db2.gz YTEGQVGYZDHJGX-MRXNPFEDSA-N 1 1 318.436 3.718 20 30 DHEDMO C[C@@H](CCC#N)[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000411254823 1029081602 /nfs/dbraw/zinc/08/16/02/1029081602.db2.gz OJROHQWXUIDAIS-AWEZNQCLSA-N 1 1 314.408 3.772 20 30 DHEDMO C[N@@H+](CCC1(C#N)CCCCC1)[C@@H](CCO)c1ccccc1 ZINC000411294619 1029089570 /nfs/dbraw/zinc/08/95/70/1029089570.db2.gz NGDACSJTQQANLP-SFHVURJKSA-N 1 1 300.446 3.906 20 30 DHEDMO CC[N@@H+](CCOc1ccccc1C)Cc1ccc(OCC#N)cc1 ZINC000817283846 1029113741 /nfs/dbraw/zinc/11/37/41/1029113741.db2.gz DOQBDQRTTGJDGU-UHFFFAOYSA-N 1 1 324.424 3.798 20 30 DHEDMO N#CC1(CC[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)CCCCC1 ZINC000411410178 1029121883 /nfs/dbraw/zinc/12/18/83/1029121883.db2.gz RPKLFRGXCJZKEN-IRXDYDNUSA-N 1 1 322.518 3.837 20 30 DHEDMO Cc1nc([C@@H]2CCCCN2CCC2(C#N)CCCCC2)n[nH]1 ZINC000411399309 1029122622 /nfs/dbraw/zinc/12/26/22/1029122622.db2.gz QYKIDEFKEHQDOR-HNNXBMFYSA-N 1 1 301.438 3.504 20 30 DHEDMO CC[N@H+](Cc1ccc(C)cc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000568766625 1029122946 /nfs/dbraw/zinc/12/29/46/1029122946.db2.gz CRKKBSCBOVSYSF-UHFFFAOYSA-N 1 1 309.369 3.797 20 30 DHEDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000568766625 1029122949 /nfs/dbraw/zinc/12/29/49/1029122949.db2.gz CRKKBSCBOVSYSF-UHFFFAOYSA-N 1 1 309.369 3.797 20 30 DHEDMO C#CCCCCC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000120252893 1029128116 /nfs/dbraw/zinc/12/81/16/1029128116.db2.gz DXCMTNHXQIQOSB-OAHLLOKOSA-N 1 1 309.413 3.552 20 30 DHEDMO N#Cc1cnc(C[NH2+][C@@H](CC2CCCC2)c2ccccc2)nc1 ZINC000568858126 1029137069 /nfs/dbraw/zinc/13/70/69/1029137069.db2.gz JGUJFTXFWAYMKC-SFHVURJKSA-N 1 1 306.413 3.759 20 30 DHEDMO C=CCC[C@H](C(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000628746651 1029139181 /nfs/dbraw/zinc/13/91/81/1029139181.db2.gz FHONWNRNPRDDOS-HKUYNNGSSA-N 1 1 314.473 3.585 20 30 DHEDMO C[C@H](C1CCCCC1)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000568903837 1029141538 /nfs/dbraw/zinc/14/15/38/1029141538.db2.gz YLZPSXQYRKDDTF-MRXNPFEDSA-N 1 1 319.493 3.572 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C1CCN(c2ccccc2)CC1 ZINC000373925356 1029169740 /nfs/dbraw/zinc/16/97/40/1029169740.db2.gz YDOODSLDIDJFLL-UHFFFAOYSA-N 1 1 323.415 3.798 20 30 DHEDMO N#CCSCCC[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000374080034 1029200776 /nfs/dbraw/zinc/20/07/76/1029200776.db2.gz FWEDKXCXZAYUKH-UHFFFAOYSA-N 1 1 317.433 3.702 20 30 DHEDMO N#CCSCCC[N@@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000374080034 1029200788 /nfs/dbraw/zinc/20/07/88/1029200788.db2.gz FWEDKXCXZAYUKH-UHFFFAOYSA-N 1 1 317.433 3.702 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2CCCCC(C)(C)C#N)C1 ZINC000374170383 1029225587 /nfs/dbraw/zinc/22/55/87/1029225587.db2.gz GPUALJPLYCKAKK-BDXSIMOUSA-N 1 1 306.494 3.968 20 30 DHEDMO C[NH+](C)C1CCC(/N=C\c2cc(Cl)cc(Cl)c2O)CC1 ZINC000817707749 1029230004 /nfs/dbraw/zinc/23/00/04/1029230004.db2.gz MZKBPJAZWXMAPW-NVMNQCDNSA-N 1 1 315.244 3.991 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000569694120 1029250305 /nfs/dbraw/zinc/25/03/05/1029250305.db2.gz JYVAZBFEGVMMOZ-IEBWSBKVSA-N 1 1 301.430 3.642 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411946399 1029255650 /nfs/dbraw/zinc/25/56/50/1029255650.db2.gz OFGFKWKOBQPDNX-AZUAARDMSA-N 1 1 320.436 3.796 20 30 DHEDMO Cn1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1C#N ZINC000569769439 1029260606 /nfs/dbraw/zinc/26/06/06/1029260606.db2.gz WCZRLRHMNNHISZ-AQNXPRMDSA-N 1 1 305.425 3.665 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000411993371 1029274203 /nfs/dbraw/zinc/27/42/03/1029274203.db2.gz ZBGQQVKSYLAHLS-FQEVSTJZSA-N 1 1 318.420 3.912 20 30 DHEDMO N#Cc1ccc(C2=CC[N@H+](Cc3ccnc(Cl)c3)CC2)cc1 ZINC000374307628 1029281499 /nfs/dbraw/zinc/28/14/99/1029281499.db2.gz HUVCBWRUNZCQIA-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccnc(Cl)c3)CC2)cc1 ZINC000374307628 1029281512 /nfs/dbraw/zinc/28/15/12/1029281512.db2.gz HUVCBWRUNZCQIA-UHFFFAOYSA-N 1 1 309.800 3.896 20 30 DHEDMO C=CCC[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccco1 ZINC000817942339 1029289380 /nfs/dbraw/zinc/28/93/80/1029289380.db2.gz OHYKEUPTBHYOSV-QZTJIDSGSA-N 1 1 313.445 3.643 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000817966496 1029304414 /nfs/dbraw/zinc/30/44/14/1029304414.db2.gz PBQUAWHBULIMJV-CRAIPNDOSA-N 1 1 322.880 3.858 20 30 DHEDMO Cc1c([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cnn1C(C)(C)C ZINC000191272370 1029339451 /nfs/dbraw/zinc/33/94/51/1029339451.db2.gz QYTHENBQBNXKNS-LBPRGKRZSA-N 1 1 314.408 3.808 20 30 DHEDMO N#CCSCCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000374621331 1029406069 /nfs/dbraw/zinc/40/60/69/1029406069.db2.gz PNZAVOOYJDSTHC-LBPRGKRZSA-N 1 1 306.397 3.688 20 30 DHEDMO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374692977 1029434374 /nfs/dbraw/zinc/43/43/74/1029434374.db2.gz JIZKWBXFZVDLEB-AWEZNQCLSA-N 1 1 302.381 3.799 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000570972695 1029440693 /nfs/dbraw/zinc/44/06/93/1029440693.db2.gz JDSWEORTNGKOBD-WMZOPIPTSA-N 1 1 303.446 3.767 20 30 DHEDMO N#Cc1c(Cl)cccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000450385429 1029441137 /nfs/dbraw/zinc/44/11/37/1029441137.db2.gz CGDKTQGIFQVGRK-CXAGYDPISA-N 1 1 315.848 3.665 20 30 DHEDMO CCCC[N@@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000302919684 1029509616 /nfs/dbraw/zinc/50/96/16/1029509616.db2.gz YPYCZJKWPGZEAI-UHFFFAOYSA-N 1 1 321.852 3.627 20 30 DHEDMO N#CC1(CN2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000450499187 1029527847 /nfs/dbraw/zinc/52/78/47/1029527847.db2.gz IGXXNLSQLRIHND-UXHICEINSA-N 1 1 323.484 3.667 20 30 DHEDMO C[C@@H](CNc1c(F)cc(C#N)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000347327489 1029732252 /nfs/dbraw/zinc/73/22/52/1029732252.db2.gz XGYKPZYUZFMXSM-ZDUSSCGKSA-N 1 1 315.367 3.769 20 30 DHEDMO FC(F)(F)Oc1ccc(C#CCn2c[nH+]c3c2CCCC3)cc1 ZINC000450982085 1029759035 /nfs/dbraw/zinc/75/90/35/1029759035.db2.gz ZNDZKIXQETWDKF-UHFFFAOYSA-N 1 1 320.314 3.712 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC1CCC(=O)CC1 ZINC000450980542 1029759128 /nfs/dbraw/zinc/75/91/28/1029759128.db2.gz FVDOCGXUKPLHIT-UHFFFAOYSA-N 1 1 303.450 3.601 20 30 DHEDMO N#CC1(C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CCC1 ZINC000450983065 1029759198 /nfs/dbraw/zinc/75/91/98/1029759198.db2.gz OPKVHRPTDGGINR-AWEZNQCLSA-N 1 1 313.228 3.700 20 30 DHEDMO CN(C)c1[nH+]cc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)n1C ZINC000821029119 1029801242 /nfs/dbraw/zinc/80/12/42/1029801242.db2.gz ZBAQRZLRAQZPFA-VAWYXSNFSA-N 1 1 311.429 3.680 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000303857948 1029835633 /nfs/dbraw/zinc/83/56/33/1029835633.db2.gz FZSSUSFPUOPPAB-UHFFFAOYSA-N 1 1 316.445 3.615 20 30 DHEDMO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000451347392 1029848068 /nfs/dbraw/zinc/84/80/68/1029848068.db2.gz UHRHZPPZFWRJEI-CEXWTWQISA-N 1 1 317.860 3.707 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451357748 1029855317 /nfs/dbraw/zinc/85/53/17/1029855317.db2.gz UGGWFZPCXFJBMH-MEDUHNTESA-N 1 1 305.784 3.963 20 30 DHEDMO COc1ccc([C@H]2C[C@@H](C)C[N@H+]2CCCSCC#N)cc1 ZINC000121853459 1029865919 /nfs/dbraw/zinc/86/59/19/1029865919.db2.gz DIKHZQUXTUBABK-RHSMWYFYSA-N 1 1 304.459 3.725 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451415076 1029872255 /nfs/dbraw/zinc/87/22/55/1029872255.db2.gz JFRZMTAORWAIDA-BHIYHBOVSA-N 1 1 312.457 3.613 20 30 DHEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000451418965 1029872574 /nfs/dbraw/zinc/87/25/74/1029872574.db2.gz NSEHWUPVRCFPTQ-TZMCWYRMSA-N 1 1 312.335 3.600 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451625647 1029937709 /nfs/dbraw/zinc/93/77/09/1029937709.db2.gz IABBVEZDKYVAJX-SJORKVTESA-N 1 1 304.478 3.988 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000451626910 1029938538 /nfs/dbraw/zinc/93/85/38/1029938538.db2.gz LYNTYIWESRSCFV-MOPGFXCFSA-N 1 1 310.441 3.534 20 30 DHEDMO COc1ccc2c(c1)C[N@H+](CCCCC(C)(C)C#N)CCO2 ZINC000451646484 1029947894 /nfs/dbraw/zinc/94/78/94/1029947894.db2.gz IUYBNMXJJJHKOK-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO C[N@@H+](CCCCNc1cccc(Br)c1C#N)C1CC1 ZINC000413349699 1029965738 /nfs/dbraw/zinc/96/57/38/1029965738.db2.gz TUAJHTSBBMERKQ-UHFFFAOYSA-N 1 1 322.250 3.607 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@H+](CC3(C)CCCCC3)CC2)C1=O ZINC001276288677 1029974277 /nfs/dbraw/zinc/97/42/77/1029974277.db2.gz LDXCFWMFFGPLQJ-FQEVSTJZSA-N 1 1 318.505 3.847 20 30 DHEDMO COc1cccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000530971147 1030102626 /nfs/dbraw/zinc/10/26/26/1030102626.db2.gz DVEXAGDBNIRTOM-WOJBJXKFSA-N 1 1 306.409 3.967 20 30 DHEDMO COc1cccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000530971147 1030102631 /nfs/dbraw/zinc/10/26/31/1030102631.db2.gz DVEXAGDBNIRTOM-WOJBJXKFSA-N 1 1 306.409 3.967 20 30 DHEDMO CCc1ccccc1N[NH+]=Cc1c(C)nn(-c2ccccc2)c1N ZINC000794898077 1030148704 /nfs/dbraw/zinc/14/87/04/1030148704.db2.gz VLLPOFJXOQCDKV-UHFFFAOYSA-N 1 1 319.412 3.771 20 30 DHEDMO C[C@H]([NH2+][C@@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(C#N)c1O ZINC000866250143 1030180533 /nfs/dbraw/zinc/18/05/33/1030180533.db2.gz VICYIJWCQLBCPV-JVPBZIDWSA-N 1 1 322.408 3.835 20 30 DHEDMO CCOc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866283141 1030203366 /nfs/dbraw/zinc/20/33/66/1030203366.db2.gz RBMOMUBNKARTGS-AWEZNQCLSA-N 1 1 310.397 3.822 20 30 DHEDMO CCC[N@@H+](CC)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000533247582 1030220611 /nfs/dbraw/zinc/22/06/11/1030220611.db2.gz BEHNRQCIFKBPHX-CQSZACIVSA-N 1 1 319.474 3.609 20 30 DHEDMO CC(C)(c1noc([C@H]([NH3+])CCCC#N)n1)c1ccc(Cl)cc1 ZINC000823216107 1030233227 /nfs/dbraw/zinc/23/32/27/1030233227.db2.gz PNTJIVKJENJIRA-CYBMUJFWSA-N 1 1 318.808 3.743 20 30 DHEDMO CCSc1cccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)c1 ZINC000823238734 1030247359 /nfs/dbraw/zinc/24/73/59/1030247359.db2.gz CPAICZRCXQFYLP-ZDUSSCGKSA-N 1 1 302.403 3.542 20 30 DHEDMO C[C@@H]1CCC[C@H](C)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000533292929 1030252798 /nfs/dbraw/zinc/25/27/98/1030252798.db2.gz IIPWWBITRDNQAD-OLZOCXBDSA-N 1 1 319.836 3.661 20 30 DHEDMO C[C@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1cccc(C#N)c1O ZINC000866364768 1030256371 /nfs/dbraw/zinc/25/63/71/1030256371.db2.gz CPMGSQHNMOQHES-JTQLQIEISA-N 1 1 321.302 3.528 20 30 DHEDMO COc1ccccc1C1([NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866382469 1030266378 /nfs/dbraw/zinc/26/63/78/1030266378.db2.gz PVJJOEBBBPIIQR-CYBMUJFWSA-N 1 1 308.381 3.612 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCOc3c(Cl)cccc32)c(F)c1 ZINC000358206992 1030378858 /nfs/dbraw/zinc/37/88/58/1030378858.db2.gz TYTANXAVSHDYFJ-MRXNPFEDSA-N 1 1 316.763 3.964 20 30 DHEDMO C=CCC[N@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000533532767 1030409309 /nfs/dbraw/zinc/40/93/09/1030409309.db2.gz KXKOKPMYEKHITP-UHFFFAOYSA-N 1 1 316.493 3.775 20 30 DHEDMO C[C@H]1CC(N=Nc2ncccc2F)C[N@@H+](Cc2ccccc2)C1 ZINC000794981661 1030511691 /nfs/dbraw/zinc/51/16/91/1030511691.db2.gz ZJEGDKZGTXXEQM-AWEZNQCLSA-N 1 1 312.392 3.531 20 30 DHEDMO CC(N=Nc1ncccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794989698 1030531450 /nfs/dbraw/zinc/53/14/50/1030531450.db2.gz AVZYWIITEPVIQN-INIZCTEOSA-N 1 1 312.392 3.531 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)o1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000558422466 1030570778 /nfs/dbraw/zinc/57/07/78/1030570778.db2.gz COAOIFHRSOLPCP-ROUUACIJSA-N 1 1 310.397 3.829 20 30 DHEDMO CSc1c[nH]c2nc[nH+]c(N[C@@H]3CCc4c3cccc4C#N)c12 ZINC001171060898 1030592279 /nfs/dbraw/zinc/59/22/79/1030592279.db2.gz MJGKRYUHCRZVOI-CYBMUJFWSA-N 1 1 321.409 3.651 20 30 DHEDMO Cc1[nH+]ccn1CCCCNc1c(C#N)cnc2ccc(C)cc21 ZINC000291752586 1030627071 /nfs/dbraw/zinc/62/70/71/1030627071.db2.gz AJZHCLCRXQYTGV-UHFFFAOYSA-N 1 1 319.412 3.812 20 30 DHEDMO C=CCOC(=O)[C@@H]([NH3+])CCCCNc1c(C)cc(Cl)cc1C ZINC001171069416 1030645105 /nfs/dbraw/zinc/64/51/05/1030645105.db2.gz IJTIGMXUNGCVKF-HNNXBMFYSA-N 1 1 324.852 3.596 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000824942314 1030678422 /nfs/dbraw/zinc/67/84/22/1030678422.db2.gz YIKDEGJCJJPBTF-PMACEKPBSA-N 1 1 309.457 3.657 20 30 DHEDMO CC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000247261789 1030684480 /nfs/dbraw/zinc/68/44/80/1030684480.db2.gz XCJFBDZEXXLEOF-ZIAGYGMSSA-N 1 1 319.474 3.750 20 30 DHEDMO CC(C)n1cc([C@H](C)[NH2+][C@H](CCCC#N)c2ccccc2)nn1 ZINC000926480001 1030757103 /nfs/dbraw/zinc/75/71/03/1030757103.db2.gz NQXDRDMVWPWWEW-DOTOQJQBSA-N 1 1 311.433 3.945 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2nccc3Cl)cc1F ZINC000926550862 1030796259 /nfs/dbraw/zinc/79/62/59/1030796259.db2.gz PIFXVRTZJYLSTA-OAHLLOKOSA-N 1 1 301.752 3.523 20 30 DHEDMO N#CCc1ccc(C[NH2+][C@H]2COCc3cccc(Cl)c32)cc1 ZINC000926627728 1030827779 /nfs/dbraw/zinc/82/77/79/1030827779.db2.gz NLMQQGVLBLPJCH-KRWDZBQOSA-N 1 1 312.800 3.767 20 30 DHEDMO CCC[N@H+](Cc1cn2ccccc2c1C#N)C[C@H]1CCCCO1 ZINC000359184171 1030829021 /nfs/dbraw/zinc/82/90/21/1030829021.db2.gz TWWGFFNHHCDMDZ-QGZVFWFLSA-N 1 1 311.429 3.592 20 30 DHEDMO CCC[N@H+](Cc1cn2ccccc2c1C#N)C[C@@H]1CCCCO1 ZINC000359184170 1030830172 /nfs/dbraw/zinc/83/01/72/1030830172.db2.gz TWWGFFNHHCDMDZ-KRWDZBQOSA-N 1 1 311.429 3.592 20 30 DHEDMO C#CC[N@@H+](Cc1ccc2[nH]cnc2c1)[C@@H]1CCc2ccccc21 ZINC001137046617 1030832676 /nfs/dbraw/zinc/83/26/76/1030832676.db2.gz HJKCBKMXUQCDKD-HXUWFJFHSA-N 1 1 301.393 3.686 20 30 DHEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C(C)C)cc2)C1=O ZINC001275656323 1031012082 /nfs/dbraw/zinc/01/20/82/1031012082.db2.gz YSGRTWWPSYYZJL-FQEVSTJZSA-N 1 1 312.457 3.563 20 30 DHEDMO CC[N@@H+](CCC/N=C\c1cccc(O)c1O)C1CCCCC1 ZINC000844270488 1031034958 /nfs/dbraw/zinc/03/49/58/1031034958.db2.gz HZSUONTZLDVKAK-RGEXLXHISA-N 1 1 304.434 3.561 20 30 DHEDMO C=CCOCC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000339106879 1031051340 /nfs/dbraw/zinc/05/13/40/1031051340.db2.gz BGJIWTIDHUDHBY-GOSISDBHSA-N 1 1 311.429 3.806 20 30 DHEDMO C=CCOCC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000339106879 1031051360 /nfs/dbraw/zinc/05/13/60/1031051360.db2.gz BGJIWTIDHUDHBY-GOSISDBHSA-N 1 1 311.429 3.806 20 30 DHEDMO C[N@H+](Cc1ccc(C(F)F)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844370518 1031072121 /nfs/dbraw/zinc/07/21/21/1031072121.db2.gz HYWMIPHSOCGIAM-KRWDZBQOSA-N 1 1 316.351 3.661 20 30 DHEDMO C=CCC(CC=C)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261965714 1031073066 /nfs/dbraw/zinc/07/30/66/1031073066.db2.gz MUXDYUDVCQJKGX-KRWDZBQOSA-N 1 1 318.848 3.581 20 30 DHEDMO C[N@@H+](CC/C=C\c1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844370564 1031075039 /nfs/dbraw/zinc/07/50/39/1031075039.db2.gz ISQLNVRBTAFGSF-KYRNDMNFSA-N 1 1 306.409 3.627 20 30 DHEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@H]1CCCc2ccc(F)cc21 ZINC000844365088 1031088786 /nfs/dbraw/zinc/08/87/86/1031088786.db2.gz AJFQCOZCCNVXCD-PMACEKPBSA-N 1 1 324.399 3.740 20 30 DHEDMO C[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H](CCO)c1ccccc1 ZINC000359855915 1031166525 /nfs/dbraw/zinc/16/65/25/1031166525.db2.gz NFWQTJUKHGRUCP-SFHVURJKSA-N 1 1 314.816 3.767 20 30 DHEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H](CCO)c1ccccc1 ZINC000359855915 1031166538 /nfs/dbraw/zinc/16/65/38/1031166538.db2.gz NFWQTJUKHGRUCP-SFHVURJKSA-N 1 1 314.816 3.767 20 30 DHEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H](CCc3ccccc3)C2)c1 ZINC001144086371 1031220642 /nfs/dbraw/zinc/22/06/42/1031220642.db2.gz PQFQACZPWHRBBJ-SFHVURJKSA-N 1 1 305.425 3.798 20 30 DHEDMO N#Cc1cncc(C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC001144083729 1031236050 /nfs/dbraw/zinc/23/60/50/1031236050.db2.gz QTGVRBPXDILBQY-INIZCTEOSA-N 1 1 309.388 3.547 20 30 DHEDMO Cc1c(O)cccc1C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001144116805 1031254751 /nfs/dbraw/zinc/25/47/51/1031254751.db2.gz CJFNFTCANVLPNU-LJQANCHMSA-N 1 1 322.408 3.616 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1ccc(CCC#N)cc1)C1CCCCC1 ZINC000928401840 1031310302 /nfs/dbraw/zinc/31/03/02/1031310302.db2.gz NCXXXVJCVKIRBV-UHFFFAOYSA-N 1 1 313.445 3.736 20 30 DHEDMO C=C(CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)c1ccccc1 ZINC000360221033 1031333483 /nfs/dbraw/zinc/33/34/83/1031333483.db2.gz KXEPITRZEJZAHG-LJQANCHMSA-N 1 1 308.425 3.509 20 30 DHEDMO C=CCOc1ccc(CN2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC000536653860 1031355090 /nfs/dbraw/zinc/35/50/90/1031355090.db2.gz ZDKRBKIPYVAEIE-UHFFFAOYSA-N 1 1 302.462 3.558 20 30 DHEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CCCSCC#N)c1 ZINC000360465952 1031437799 /nfs/dbraw/zinc/43/77/99/1031437799.db2.gz HVODJXKMAJSZNU-WMLDXEAASA-N 1 1 304.459 3.725 20 30 DHEDMO CC[N@@H+](CCC1CCN(c2ncccc2C#N)CC1)CC(C)C ZINC000536892815 1031471063 /nfs/dbraw/zinc/47/10/63/1031471063.db2.gz ILRXJRRHTAFIIX-UHFFFAOYSA-N 1 1 314.477 3.538 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000929293948 1031486745 /nfs/dbraw/zinc/48/67/45/1031486745.db2.gz AGDCVXPGYNGITH-SFHVURJKSA-N 1 1 320.440 3.653 20 30 DHEDMO CCC[N@@H+](Cc1cncc(C#N)c1)[C@@H](C)c1ccccc1OC ZINC000929381718 1031508987 /nfs/dbraw/zinc/50/89/87/1031508987.db2.gz BOGJFBAQOYWSHA-HNNXBMFYSA-N 1 1 309.413 3.935 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1c[nH]c3nc(Cl)ccc13)C2 ZINC001144410710 1031538140 /nfs/dbraw/zinc/53/81/40/1031538140.db2.gz YZUHPGVBIDNSHQ-UHFFFAOYSA-N 1 1 322.799 3.646 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@@H](C)c2c(F)cccc2F)no1 ZINC000872174945 1031551338 /nfs/dbraw/zinc/55/13/38/1031551338.db2.gz IDEVGJFCRCJQBJ-GZMMTYOYSA-N 1 1 313.735 3.642 20 30 DHEDMO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000929586114 1031551831 /nfs/dbraw/zinc/55/18/31/1031551831.db2.gz LMSRZXPZAGUHOL-GOSISDBHSA-N 1 1 307.397 3.689 20 30 DHEDMO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929586114 1031551846 /nfs/dbraw/zinc/55/18/46/1031551846.db2.gz LMSRZXPZAGUHOL-GOSISDBHSA-N 1 1 307.397 3.689 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cccc(SCC)c2)no1 ZINC000872182172 1031553826 /nfs/dbraw/zinc/55/38/26/1031553826.db2.gz HFFCMXLKDCWXER-GFCCVEGCSA-N 1 1 309.822 3.991 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c(F)c1 ZINC000872261438 1031564543 /nfs/dbraw/zinc/56/45/43/1031564543.db2.gz FDUPOVIXZIMPJJ-QGZVFWFLSA-N 1 1 302.393 3.621 20 30 DHEDMO CCCN1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360820733 1031574948 /nfs/dbraw/zinc/57/49/48/1031574948.db2.gz KIWLIYSAPKBOMP-HXUWFJFHSA-N 1 1 311.473 3.790 20 30 DHEDMO CCC[NH+]1CCC(N[C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360820733 1031574959 /nfs/dbraw/zinc/57/49/59/1031574959.db2.gz KIWLIYSAPKBOMP-HXUWFJFHSA-N 1 1 311.473 3.790 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)CCC1 ZINC000929679705 1031576636 /nfs/dbraw/zinc/57/66/36/1031576636.db2.gz PUDUUSOZPZJQNV-CQSZACIVSA-N 1 1 318.383 3.894 20 30 DHEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929772469 1031602741 /nfs/dbraw/zinc/60/27/41/1031602741.db2.gz PGPLOZKLTBBBNF-DYXZUPIHSA-N 1 1 318.486 3.747 20 30 DHEDMO COc1ccc2ccc(O)c(C[N@@H+](C)[C@H]3CCC[C@H]3C#N)c2c1 ZINC000872681057 1031642295 /nfs/dbraw/zinc/64/22/95/1031642295.db2.gz DOOCVCUJOUGNBD-KSSFIOAISA-N 1 1 310.397 3.678 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)CCO2)cc1 ZINC000897596464 1031679360 /nfs/dbraw/zinc/67/93/60/1031679360.db2.gz QPMWMSVGCBWQPA-ACRUOGEOSA-N 1 1 318.420 3.735 20 30 DHEDMO N#CC1(CCCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCC1 ZINC000930060779 1031687187 /nfs/dbraw/zinc/68/71/87/1031687187.db2.gz LQJIPGVZZRCYHJ-MJGOQNOKSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CCCC[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CCC1 ZINC000930060779 1031687205 /nfs/dbraw/zinc/68/72/05/1031687205.db2.gz LQJIPGVZZRCYHJ-MJGOQNOKSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CCCC[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CCC1 ZINC000930060779 1031687215 /nfs/dbraw/zinc/68/72/15/1031687215.db2.gz LQJIPGVZZRCYHJ-MJGOQNOKSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CCCCN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCC1 ZINC000930060779 1031687223 /nfs/dbraw/zinc/68/72/23/1031687223.db2.gz LQJIPGVZZRCYHJ-MJGOQNOKSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1(CCCCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCC1 ZINC000930060779 1031687228 /nfs/dbraw/zinc/68/72/28/1031687228.db2.gz LQJIPGVZZRCYHJ-MJGOQNOKSA-N 1 1 315.505 3.799 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)CC1 ZINC000930095530 1031698539 /nfs/dbraw/zinc/69/85/39/1031698539.db2.gz YCGNVGQXXFLQHY-ABHNRTSZSA-N 1 1 322.456 3.831 20 30 DHEDMO COC(=O)C1([NH2+]CCCCC2(C#N)CCC2)CCCCCC1 ZINC000930155722 1031718535 /nfs/dbraw/zinc/71/85/35/1031718535.db2.gz NYVKHFKVVPGDAT-UHFFFAOYSA-N 1 1 306.450 3.706 20 30 DHEDMO N#Cc1cncc(C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000930207236 1031736648 /nfs/dbraw/zinc/73/66/48/1031736648.db2.gz IBRZILMSSJNHJG-HNNXBMFYSA-N 1 1 323.293 3.876 20 30 DHEDMO N#Cc1cncc(C[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000930207237 1031737344 /nfs/dbraw/zinc/73/73/44/1031737344.db2.gz IBRZILMSSJNHJG-OAHLLOKOSA-N 1 1 323.293 3.876 20 30 DHEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(C(F)(F)F)nc1 ZINC000873185098 1031746606 /nfs/dbraw/zinc/74/66/06/1031746606.db2.gz CZELNQWJIWGTQH-NSHDSACASA-N 1 1 305.303 3.823 20 30 DHEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2ccc(C#N)o2)CC1 ZINC000361153708 1031758900 /nfs/dbraw/zinc/75/89/00/1031758900.db2.gz LEHHVFSCUSNESY-GOSISDBHSA-N 1 1 323.440 3.638 20 30 DHEDMO N#CC1(CCCC[N@H+]2CC[C@H](OCc3ccncc3)C2)CCC1 ZINC000930292064 1031770213 /nfs/dbraw/zinc/77/02/13/1031770213.db2.gz GECBYYXKEIUKNG-SFHVURJKSA-N 1 1 313.445 3.537 20 30 DHEDMO C=CCCCCCCNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000806004683 1031772626 /nfs/dbraw/zinc/77/26/26/1031772626.db2.gz LKOJNKRLMAKGLZ-QGZVFWFLSA-N 1 1 309.498 3.543 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](CCN(C)C)Cc1ccccc1 ZINC001171204352 1031806019 /nfs/dbraw/zinc/80/60/19/1031806019.db2.gz WIKCBXXXBPOOOC-SFHVURJKSA-N 1 1 321.468 3.553 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)N(CC[NH+](C)C)Cc1ccccc1 ZINC001171204352 1031806030 /nfs/dbraw/zinc/80/60/30/1031806030.db2.gz WIKCBXXXBPOOOC-SFHVURJKSA-N 1 1 321.468 3.553 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cncc(C(F)(F)F)c1 ZINC000361294463 1031839937 /nfs/dbraw/zinc/83/99/37/1031839937.db2.gz FTQZNZYEQOTIAC-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cncc(C(F)(F)F)c1 ZINC000361294463 1031839967 /nfs/dbraw/zinc/83/99/67/1031839967.db2.gz FTQZNZYEQOTIAC-UHFFFAOYSA-N 1 1 305.303 3.604 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001171210940 1031858001 /nfs/dbraw/zinc/85/80/01/1031858001.db2.gz XTEZTQHAFLKTEL-DOMZBBRYSA-N 1 1 314.326 3.713 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000930520910 1031858542 /nfs/dbraw/zinc/85/85/42/1031858542.db2.gz HFEQHHVQTJRXMW-IAGOWNOFSA-N 1 1 316.832 3.745 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000930520910 1031858553 /nfs/dbraw/zinc/85/85/53/1031858553.db2.gz HFEQHHVQTJRXMW-IAGOWNOFSA-N 1 1 316.832 3.745 20 30 DHEDMO C=CCCCCCCCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000846159789 1031888944 /nfs/dbraw/zinc/88/89/44/1031888944.db2.gz JWXCVFIMPZRCGO-KRWDZBQOSA-N 1 1 317.477 3.787 20 30 DHEDMO N#CC1CCC(C[NH+]2CCC(NCc3ccccc3)CC2)CC1 ZINC000930615762 1031890555 /nfs/dbraw/zinc/89/05/55/1031890555.db2.gz SQVKILZLOMYXRV-UHFFFAOYSA-N 1 1 311.473 3.571 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000361404194 1031909577 /nfs/dbraw/zinc/90/95/77/1031909577.db2.gz LHNYIKNIVSOOTC-ZWKOTPCHSA-N 1 1 300.446 3.904 20 30 DHEDMO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC(C)(C)C1 ZINC000361470900 1031936403 /nfs/dbraw/zinc/93/64/03/1031936403.db2.gz PSCHKPBSMLFNCO-HNNXBMFYSA-N 1 1 310.401 3.619 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000930764040 1031942233 /nfs/dbraw/zinc/94/22/33/1031942233.db2.gz IWBWUZQMRWAZLG-UGFHNGPFSA-N 1 1 312.335 3.661 20 30 DHEDMO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](c1nccn1C)c1ccc(F)cc1F ZINC000898107821 1031950587 /nfs/dbraw/zinc/95/05/87/1031950587.db2.gz XPUSQSOMASKQJT-GDZNZVCISA-N 1 1 319.399 3.978 20 30 DHEDMO Cc1ccccc1O[C@H]1CC[N@H+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171221369 1031959082 /nfs/dbraw/zinc/95/90/82/1031959082.db2.gz LQNLBFRPEVPKMH-XLIONFOSSA-N 1 1 320.436 3.951 20 30 DHEDMO CCC[N@@H+](CCc1ccccn1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171224068 1031968902 /nfs/dbraw/zinc/96/89/02/1031968902.db2.gz PHRCKLDWPKRDMG-QGZVFWFLSA-N 1 1 307.441 3.839 20 30 DHEDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000361543212 1031980351 /nfs/dbraw/zinc/98/03/51/1031980351.db2.gz LUCGCYFCIXNCGZ-INIZCTEOSA-N 1 1 324.428 3.866 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001171228009 1031993251 /nfs/dbraw/zinc/99/32/51/1031993251.db2.gz DEHVGBIPZRDBHJ-CYBMUJFWSA-N 1 1 311.816 3.596 20 30 DHEDMO COc1ccc2c(c1)C[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)CCC2 ZINC001171232166 1032001197 /nfs/dbraw/zinc/00/11/97/1032001197.db2.gz PYJLIVDEOBGNSG-INIZCTEOSA-N 1 1 320.436 3.946 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001171232657 1032003252 /nfs/dbraw/zinc/00/32/52/1032003252.db2.gz VBJJQWIDXXSVDF-QRWLVFNGSA-N 1 1 324.399 3.782 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000877484914 1033317282 /nfs/dbraw/zinc/31/72/82/1033317282.db2.gz HQMIAARYPMOMPE-GJZGRUSLSA-N 1 1 315.417 3.576 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC001137121667 1033331721 /nfs/dbraw/zinc/33/17/21/1033331721.db2.gz YHVLPSYOUAFRHB-UHFFFAOYSA-N 1 1 304.393 3.878 20 30 DHEDMO C=CCC[C@H](C(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000628746653 1033337068 /nfs/dbraw/zinc/33/70/68/1033337068.db2.gz FHONWNRNPRDDOS-MJGOQNOKSA-N 1 1 314.473 3.585 20 30 DHEDMO N#Cc1cnc(Cl)c(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1 ZINC000877657626 1033400487 /nfs/dbraw/zinc/40/04/87/1033400487.db2.gz LRUBHGFGGPZUOU-RYQLBKOJSA-N 1 1 323.827 3.842 20 30 DHEDMO C[N@@H+](C1CCCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172980233 1033491826 /nfs/dbraw/zinc/49/18/26/1033491826.db2.gz VOACHIHZWINWKA-HOTGVXAUSA-N 1 1 321.465 3.543 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1ccsc1)c1ccccc1 ZINC000877920136 1033516139 /nfs/dbraw/zinc/51/61/39/1033516139.db2.gz FUAJDHWTZMZBTH-SFHVURJKSA-N 1 1 312.438 3.621 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1ccsc1)c1ccccc1 ZINC000877920136 1033516141 /nfs/dbraw/zinc/51/61/41/1033516141.db2.gz FUAJDHWTZMZBTH-SFHVURJKSA-N 1 1 312.438 3.621 20 30 DHEDMO CCCOC1CCC([N@H+](CCC#N)Cc2cccnc2)CC1 ZINC001173096579 1033526514 /nfs/dbraw/zinc/52/65/14/1033526514.db2.gz XXCGHMRMOWAJFY-UHFFFAOYSA-N 1 1 301.434 3.535 20 30 DHEDMO CCCOC1CCC([N@@H+](CCC#N)Cc2cccnc2)CC1 ZINC001173096579 1033526524 /nfs/dbraw/zinc/52/65/24/1033526524.db2.gz XXCGHMRMOWAJFY-UHFFFAOYSA-N 1 1 301.434 3.535 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]([C@@H](C)C1CC1)C1CC1)c1ccccc1 ZINC000877966877 1033533832 /nfs/dbraw/zinc/53/38/32/1033533832.db2.gz YHJJMUGLPAKIMA-YWZLYKJASA-N 1 1 310.441 3.690 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1cccc(C)c1)c1ccccc1 ZINC000877976063 1033539080 /nfs/dbraw/zinc/53/90/80/1033539080.db2.gz RZZCWYRVGATKCM-OAQYLSRUSA-N 1 1 320.436 3.868 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CCC2(CCOCC2)O1 ZINC000877987536 1033545926 /nfs/dbraw/zinc/54/59/26/1033545926.db2.gz KSUVEAXOLBSLFM-KRWDZBQOSA-N 1 1 319.420 3.542 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CCC2(CCOCC2)O1 ZINC000877987536 1033545932 /nfs/dbraw/zinc/54/59/32/1033545932.db2.gz KSUVEAXOLBSLFM-KRWDZBQOSA-N 1 1 319.420 3.542 20 30 DHEDMO CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)[C@@H](C)C(C)C ZINC000878001270 1033547164 /nfs/dbraw/zinc/54/71/64/1033547164.db2.gz VKKLNMGYZPBIGD-QFBILLFUSA-N 1 1 300.446 3.793 20 30 DHEDMO C=C(C)C[NH+]1CCC(N[C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000152962775 1033553350 /nfs/dbraw/zinc/55/33/50/1033553350.db2.gz GRSDZZLLWASUCB-SFHVURJKSA-N 1 1 318.436 3.670 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H]1CC(C)C)c1ccccc1 ZINC000878020106 1033555366 /nfs/dbraw/zinc/55/53/66/1033555366.db2.gz KOMBEIWBIICDQY-WOJBJXKFSA-N 1 1 312.457 3.938 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCC[C@H]1C(C)C)c1ccccc1 ZINC000878113346 1033583695 /nfs/dbraw/zinc/58/36/95/1033583695.db2.gz ZRBBTJWMFKRCJA-PMACEKPBSA-N 1 1 312.457 3.938 20 30 DHEDMO CC(C)C[N@@H+](C[C@H](O)c1ccc(F)cc1)CC1(CC#N)CC1 ZINC000878130822 1033589242 /nfs/dbraw/zinc/58/92/42/1033589242.db2.gz VXOLROCOVWONSA-KRWDZBQOSA-N 1 1 304.409 3.511 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878152497 1033597619 /nfs/dbraw/zinc/59/76/19/1033597619.db2.gz IFDSPJYUZDZPCH-RMMWZPCPSA-N 1 1 310.441 3.716 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878152497 1033597626 /nfs/dbraw/zinc/59/76/26/1033597626.db2.gz IFDSPJYUZDZPCH-RMMWZPCPSA-N 1 1 310.441 3.716 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H]1c1ccc[nH]1)c1ccccc1 ZINC000878213444 1033624542 /nfs/dbraw/zinc/62/45/42/1033624542.db2.gz JCQHCGUFUYRONV-PMACEKPBSA-N 1 1 321.424 3.592 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H]1c1ccc[nH]1)c1ccccc1 ZINC000878213445 1033625533 /nfs/dbraw/zinc/62/55/33/1033625533.db2.gz JCQHCGUFUYRONV-UXHICEINSA-N 1 1 321.424 3.592 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](C)CSCC)[C@@H]2CC ZINC001173304298 1033658919 /nfs/dbraw/zinc/65/89/19/1033658919.db2.gz ODILLUQVVKZUNX-NUJGCVRESA-N 1 1 324.534 3.550 20 30 DHEDMO CCSC[C@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001173305982 1033659331 /nfs/dbraw/zinc/65/93/31/1033659331.db2.gz CQEFSYLEAFMJRJ-GOEBONIOSA-N 1 1 304.459 3.543 20 30 DHEDMO CCCCCCCC[C@@H](CCC)[N@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001173310413 1033666753 /nfs/dbraw/zinc/66/67/53/1033666753.db2.gz UYSRFEBXTPRMHZ-KSZLIROESA-N 1 1 308.510 3.974 20 30 DHEDMO C=CCCC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000878359251 1033672929 /nfs/dbraw/zinc/67/29/29/1033672929.db2.gz HNCGTPUDWQKDCN-IEBWSBKVSA-N 1 1 314.473 3.585 20 30 DHEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H]1CC[C@H](CC)C1)CCO2 ZINC001173282438 1033674205 /nfs/dbraw/zinc/67/42/05/1033674205.db2.gz YNHVENMXTQUTLK-INDMIFKZSA-N 1 1 307.478 3.639 20 30 DHEDMO CCCCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001173285141 1033676359 /nfs/dbraw/zinc/67/63/59/1033676359.db2.gz OOSCRPQPWBKMLV-GBESFXJTSA-N 1 1 313.526 3.971 20 30 DHEDMO C=CCOC1CCC([N@@H+]2CCc3cccc(OC)c3C2)CC1 ZINC001173321935 1033685620 /nfs/dbraw/zinc/68/56/20/1033685620.db2.gz SGNCHTYRKQWBQK-UHFFFAOYSA-N 1 1 301.430 3.567 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000878399394 1033688585 /nfs/dbraw/zinc/68/85/85/1033688585.db2.gz LQFSFDUWUCEVOA-LLUDDFSJSA-N 1 1 324.468 3.938 20 30 DHEDMO COc1cccc(C[N@@H+](C)C2CCC(CC#N)CC2)c1OC ZINC001173336654 1033691972 /nfs/dbraw/zinc/69/19/72/1033691972.db2.gz HZLCNXBZWOWOMC-UHFFFAOYSA-N 1 1 302.418 3.608 20 30 DHEDMO C[C@@]1(c2ccc(F)cc2)C[N@H+](C2CCC(CC#N)CC2)CCO1 ZINC001173337873 1033694689 /nfs/dbraw/zinc/69/46/89/1033694689.db2.gz UZGRPLOCOAUOPC-PPSBMQLTSA-N 1 1 316.420 3.846 20 30 DHEDMO N#CCC1CCC([N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC001173341176 1033696386 /nfs/dbraw/zinc/69/63/86/1033696386.db2.gz QKRIMWLMJOSWHE-YXIVMFJDSA-N 1 1 323.484 3.665 20 30 DHEDMO C=CC[C@@H]1[N@H+](C[C@H]2CCC3(CCOCC3)O2)CCCC1(C)C ZINC000878515846 1033730748 /nfs/dbraw/zinc/73/07/48/1033730748.db2.gz JLPHDWKBJYCCAV-SJORKVTESA-N 1 1 307.478 3.781 20 30 DHEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000878545913 1033743680 /nfs/dbraw/zinc/74/36/80/1033743680.db2.gz PIWDXTKNPQQQCB-HNNXBMFYSA-N 1 1 320.502 3.679 20 30 DHEDMO C#CCCCCC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000878614856 1033771562 /nfs/dbraw/zinc/77/15/62/1033771562.db2.gz GIVVDDXZIABCOB-DLBZAZTESA-N 1 1 303.471 3.681 20 30 DHEDMO CC1CCC(N2CC[NH+](C3CCC(C)(C#N)CC3)CC2)CC1 ZINC001173596239 1033782263 /nfs/dbraw/zinc/78/22/63/1033782263.db2.gz OQYNOVABJNNABB-UHFFFAOYSA-N 1 1 303.494 3.655 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCCN(c3ccc(F)cc3)CC2)CC1 ZINC001173597286 1033783789 /nfs/dbraw/zinc/78/37/89/1033783789.db2.gz OFIKPEHJBNGWEO-UHFFFAOYSA-N 1 1 315.436 3.810 20 30 DHEDMO CC1(C#N)CCC([N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001173598556 1033785366 /nfs/dbraw/zinc/78/53/66/1033785366.db2.gz QSUOVYIYMXOFOJ-GMXGEUMGSA-N 1 1 320.383 3.811 20 30 DHEDMO CC1(C#N)CCC([N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC001173598556 1033785382 /nfs/dbraw/zinc/78/53/82/1033785382.db2.gz QSUOVYIYMXOFOJ-GMXGEUMGSA-N 1 1 320.383 3.811 20 30 DHEDMO CC1(C#N)CCC([N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC1 ZINC001173599741 1033785457 /nfs/dbraw/zinc/78/54/57/1033785457.db2.gz PVGSYVKFRPAJDS-NFYVFUGESA-N 1 1 323.484 3.665 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)C1 ZINC000878761959 1033822923 /nfs/dbraw/zinc/82/29/23/1033822923.db2.gz UDWSOOFIAVUIPT-KFWWJZLASA-N 1 1 315.379 3.660 20 30 DHEDMO C#C[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)cc1F ZINC000862365281 1033831560 /nfs/dbraw/zinc/83/15/60/1033831560.db2.gz OJKQPPNNCMDXON-CZUORRHYSA-N 1 1 308.828 3.616 20 30 DHEDMO C#CC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000862446787 1033858897 /nfs/dbraw/zinc/85/88/97/1033858897.db2.gz DSRPMLBHAAFWSH-SNVBAGLBSA-N 1 1 313.184 3.747 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000862446787 1033858906 /nfs/dbraw/zinc/85/89/06/1033858906.db2.gz DSRPMLBHAAFWSH-SNVBAGLBSA-N 1 1 313.184 3.747 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000862446630 1033859590 /nfs/dbraw/zinc/85/95/90/1033859590.db2.gz BVSNRXXSNNJTEH-LBPRGKRZSA-N 1 1 318.392 3.934 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000862445051 1033860656 /nfs/dbraw/zinc/86/06/56/1033860656.db2.gz KVLSYVPWPSKBST-MRXNPFEDSA-N 1 1 306.409 3.602 20 30 DHEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000879005270 1033891968 /nfs/dbraw/zinc/89/19/68/1033891968.db2.gz VGBXEDLNSZQAGM-UHFFFAOYSA-N 1 1 313.351 3.611 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCCC2(CC2)CC1)c1ccccc1 ZINC000879063880 1033911525 /nfs/dbraw/zinc/91/15/25/1033911525.db2.gz VBHWQAVTIKHMQO-HXUWFJFHSA-N 1 1 310.441 3.693 20 30 DHEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000879099291 1033923466 /nfs/dbraw/zinc/92/34/66/1033923466.db2.gz JRHAUKWGKUXLLG-AEFFLSMTSA-N 1 1 314.473 3.758 20 30 DHEDMO C[N@H+](C[C@H](O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC000879308621 1033978196 /nfs/dbraw/zinc/97/81/96/1033978196.db2.gz FJOIJQSEHQQBEV-DFBGVHRSSA-N 1 1 313.228 3.651 20 30 DHEDMO C[N@@H+](C[C@H](O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC000879308621 1033978200 /nfs/dbraw/zinc/97/82/00/1033978200.db2.gz FJOIJQSEHQQBEV-DFBGVHRSSA-N 1 1 313.228 3.651 20 30 DHEDMO C=CC(C)(C)CC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000879415312 1034009845 /nfs/dbraw/zinc/00/98/45/1034009845.db2.gz RQKPNWMYBGFJAT-SJLPKXTDSA-N 1 1 314.473 3.616 20 30 DHEDMO C[C@H](c1nc2ccccc2o1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879432685 1034014729 /nfs/dbraw/zinc/01/47/29/1034014729.db2.gz FJOMWWUDFAMEQN-CQSZACIVSA-N 1 1 305.381 3.935 20 30 DHEDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434109 1034015085 /nfs/dbraw/zinc/01/50/85/1034015085.db2.gz ODAOMADUTMONFU-CQSZACIVSA-N 1 1 309.369 3.702 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cncc(C(F)(F)F)c1 ZINC000879432168 1034016391 /nfs/dbraw/zinc/01/63/91/1034016391.db2.gz DUCMTADXSLEAPY-UHFFFAOYSA-N 1 1 319.330 3.647 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879557293 1034048212 /nfs/dbraw/zinc/04/82/12/1034048212.db2.gz BRCLIWNPWWPXQY-CVEARBPZSA-N 1 1 300.471 3.673 20 30 DHEDMO Cn1ccc2cc(Nc3sc4c(c3C#N)CC[N@H+](C)C4)ccc21 ZINC001174096592 1034106811 /nfs/dbraw/zinc/10/68/11/1034106811.db2.gz HVSONXYFCGICFL-UHFFFAOYSA-N 1 1 322.437 3.843 20 30 DHEDMO Cc1csc(C2([NH2+]Cc3ccc(C#N)s3)CCCC2)n1 ZINC000176968859 1034126882 /nfs/dbraw/zinc/12/68/82/1034126882.db2.gz UQPHZGRUMFYQPH-UHFFFAOYSA-N 1 1 303.456 3.944 20 30 DHEDMO N#Cc1ncc(NC2=CCC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC001174394787 1034317352 /nfs/dbraw/zinc/31/73/52/1034317352.db2.gz MIQUUOXDXGONLS-UHFFFAOYSA-N 1 1 324.815 3.808 20 30 DHEDMO N#Cc1ccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)c(C#N)c1 ZINC001174394980 1034321012 /nfs/dbraw/zinc/32/10/12/1034321012.db2.gz YPIWXHPEATYGQS-UHFFFAOYSA-N 1 1 314.392 3.632 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cn1nccc1-c1ccncc1 ZINC000794649578 1034325777 /nfs/dbraw/zinc/32/57/77/1034325777.db2.gz BKDKXIBLPCIWCE-UHFFFAOYSA-N 1 1 318.424 3.981 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)Cn1nccc1-c1ccncc1 ZINC000794649578 1034325783 /nfs/dbraw/zinc/32/57/83/1034325783.db2.gz BKDKXIBLPCIWCE-UHFFFAOYSA-N 1 1 318.424 3.981 20 30 DHEDMO N#Cc1ccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC001174397044 1034326423 /nfs/dbraw/zinc/32/64/23/1034326423.db2.gz LDJFBSBOTDLHCD-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@@](C)(OC)C2)c1O ZINC000794652927 1034329152 /nfs/dbraw/zinc/32/91/52/1034329152.db2.gz BJBYYRGUSHXPFB-LJQANCHMSA-N 1 1 319.445 3.520 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cn1nccc1-c1cccnc1 ZINC000794651871 1034329174 /nfs/dbraw/zinc/32/91/74/1034329174.db2.gz XCIHITXYINEXNK-UHFFFAOYSA-N 1 1 318.424 3.981 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)Cn1nccc1-c1cccnc1 ZINC000794651871 1034329187 /nfs/dbraw/zinc/32/91/87/1034329187.db2.gz XCIHITXYINEXNK-UHFFFAOYSA-N 1 1 318.424 3.981 20 30 DHEDMO C#CCC1(O)CC[NH+]([C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000880479573 1034342961 /nfs/dbraw/zinc/34/29/61/1034342961.db2.gz RVJGAQKWYXOXMZ-LBPRGKRZSA-N 1 1 312.240 3.905 20 30 DHEDMO C[N@@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)[C@H]1CCC(C)(C)C1 ZINC000794686775 1034343454 /nfs/dbraw/zinc/34/34/54/1034343454.db2.gz QUHISRYQSMACCC-KRWDZBQOSA-N 1 1 308.429 3.890 20 30 DHEDMO C=CCC(CC=C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181556053 1034348661 /nfs/dbraw/zinc/34/86/61/1034348661.db2.gz LBALNHYVJVAIFB-WBVHZDCISA-N 1 1 304.478 3.524 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)c1 ZINC000880573835 1034363001 /nfs/dbraw/zinc/36/30/01/1034363001.db2.gz CQCWLGPSTNRFBH-QGZVFWFLSA-N 1 1 316.420 3.726 20 30 DHEDMO Cc1csc(C[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c1 ZINC001137161786 1034487185 /nfs/dbraw/zinc/48/71/85/1034487185.db2.gz URRVPMMIYMXWGU-QGZVFWFLSA-N 1 1 312.438 3.972 20 30 DHEDMO Cc1cccc(CCC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000481075380 1034574247 /nfs/dbraw/zinc/57/42/47/1034574247.db2.gz NYUMYWJLDCCXOW-NRFANRHFSA-N 1 1 320.436 3.873 20 30 DHEDMO Cc1cccc(CCC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000481075380 1034574255 /nfs/dbraw/zinc/57/42/55/1034574255.db2.gz NYUMYWJLDCCXOW-NRFANRHFSA-N 1 1 320.436 3.873 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)c(Br)c1 ZINC000481116228 1034590029 /nfs/dbraw/zinc/59/00/29/1034590029.db2.gz MKEGUWAGLQSOAF-CYBMUJFWSA-N 1 1 305.219 3.553 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC001174871260 1034658297 /nfs/dbraw/zinc/65/82/97/1034658297.db2.gz AHRGUPHPVWFLNL-IBGZPJMESA-N 1 1 314.429 3.563 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC001174871260 1034658302 /nfs/dbraw/zinc/65/83/02/1034658302.db2.gz AHRGUPHPVWFLNL-IBGZPJMESA-N 1 1 314.429 3.563 20 30 DHEDMO C=CC[C@H]1CC[N@H+](C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001174892074 1034664287 /nfs/dbraw/zinc/66/42/87/1034664287.db2.gz ZFXQLONPMNMZCQ-IRXDYDNUSA-N 1 1 322.493 3.922 20 30 DHEDMO C=CCOCC[N@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000555380200 1034667607 /nfs/dbraw/zinc/66/76/07/1034667607.db2.gz FHCHGRHOERBDCR-NRFANRHFSA-N 1 1 323.436 3.997 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H](C)CC2(C)C)c1C#N ZINC000773433216 1034698702 /nfs/dbraw/zinc/69/87/02/1034698702.db2.gz UYGBDUPKJIGADL-AWEZNQCLSA-N 1 1 308.429 3.673 20 30 DHEDMO CCC(CC)CCC[N@@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC001174957017 1034707254 /nfs/dbraw/zinc/70/72/54/1034707254.db2.gz PVOAHPKRHJSVSS-UHFFFAOYSA-N 1 1 316.445 3.993 20 30 DHEDMO C=CCC(CC=C)C(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899511288 1034720537 /nfs/dbraw/zinc/72/05/37/1034720537.db2.gz AWOVFRNXGLOZLR-UHFFFAOYSA-N 1 1 301.434 3.501 20 30 DHEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000481303517 1034730670 /nfs/dbraw/zinc/73/06/70/1034730670.db2.gz WTGYVRPUISRYFR-KRWDZBQOSA-N 1 1 322.452 3.789 20 30 DHEDMO C=CCC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000188225564 1034741370 /nfs/dbraw/zinc/74/13/70/1034741370.db2.gz UEPAPJUVKGLTAO-WDSOQIARSA-N 1 1 314.473 3.678 20 30 DHEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1=NOCCC(F)(F)F ZINC000777460544 1034754488 /nfs/dbraw/zinc/75/44/88/1034754488.db2.gz QDPFIHRDEYYBEB-CYBMUJFWSA-N 1 1 314.351 3.853 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@@H](c4ccc(O)cc4)C3)cc2)CC1 ZINC000600213940 1034805878 /nfs/dbraw/zinc/80/58/78/1034805878.db2.gz JATCYYSHRWBBPI-GOSISDBHSA-N 1 1 318.420 3.937 20 30 DHEDMO COc1ccccc1/C=C\C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600214984 1034817305 /nfs/dbraw/zinc/81/73/05/1034817305.db2.gz XDYZZRMIDPMKNU-UITAMQMPSA-N 1 1 318.420 3.833 20 30 DHEDMO C#CCCCCCC[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001175196119 1034844411 /nfs/dbraw/zinc/84/44/11/1034844411.db2.gz WAGKRMIGDUXFIY-JKSUJKDBSA-N 1 1 308.466 3.558 20 30 DHEDMO C=C(CC)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000773473071 1034864641 /nfs/dbraw/zinc/86/46/41/1034864641.db2.gz JYJBJPHOJBSJDD-XYPWUTKMSA-N 1 1 308.466 3.815 20 30 DHEDMO Cc1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)ccc1F ZINC001175248527 1034890446 /nfs/dbraw/zinc/89/04/46/1034890446.db2.gz BRZMZHAQUFCQCO-UHFFFAOYSA-N 1 1 301.390 3.799 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)NCCC(C)C)c1ccc(F)c(F)c1 ZINC000481594411 1034895098 /nfs/dbraw/zinc/89/50/98/1034895098.db2.gz GJUKPWZSKVUNNO-CXAGYDPISA-N 1 1 324.415 3.722 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000481690949 1034932175 /nfs/dbraw/zinc/93/21/75/1034932175.db2.gz NNGVQRJLKMKHIV-NRFANRHFSA-N 1 1 318.420 3.774 20 30 DHEDMO C#CCCCCCC[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001175372114 1034958311 /nfs/dbraw/zinc/95/83/11/1034958311.db2.gz QVKPWBLCEQEJOA-LJQANCHMSA-N 1 1 312.457 3.996 20 30 DHEDMO N#Cc1c(F)cccc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175505746 1035017324 /nfs/dbraw/zinc/01/73/24/1035017324.db2.gz GJSCQJVSVSJVRB-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO C#CCOc1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001175506784 1035019454 /nfs/dbraw/zinc/01/94/54/1035019454.db2.gz MVKXXIZPSFLJFH-UHFFFAOYSA-N 1 1 318.420 3.900 20 30 DHEDMO CCC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000160476613 1035192455 /nfs/dbraw/zinc/19/24/55/1035192455.db2.gz GUUSSHLQRXFKIY-UHFFFAOYSA-N 1 1 304.397 3.618 20 30 DHEDMO CC(C)(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000483229381 1035244737 /nfs/dbraw/zinc/24/47/37/1035244737.db2.gz DNPGMZGBIVEMDA-MRXNPFEDSA-N 1 1 313.445 3.645 20 30 DHEDMO CCCOc1ccc([NH+]=C(NO)c2ccccc2N)cc1Cl ZINC001176307406 1035249571 /nfs/dbraw/zinc/24/95/71/1035249571.db2.gz TZBCLROUEZFQIQ-UHFFFAOYSA-N 1 1 319.792 3.768 20 30 DHEDMO CC1=C(C)C[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000483386495 1035264434 /nfs/dbraw/zinc/26/44/34/1035264434.db2.gz RMXOTYWMCCOGQC-CYBMUJFWSA-N 1 1 317.820 3.581 20 30 DHEDMO CC1=C(C)C[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000483386495 1035264437 /nfs/dbraw/zinc/26/44/37/1035264437.db2.gz RMXOTYWMCCOGQC-CYBMUJFWSA-N 1 1 317.820 3.581 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000483540121 1035277098 /nfs/dbraw/zinc/27/70/98/1035277098.db2.gz DSHRUYQNKMUCSQ-OAQYLSRUSA-N 1 1 305.421 3.719 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000483699520 1035291166 /nfs/dbraw/zinc/29/11/66/1035291166.db2.gz MMIMLBLOHWKGSO-OAQYLSRUSA-N 1 1 303.405 3.560 20 30 DHEDMO OCCC[N@@H+](CC#Cc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000483959067 1035310352 /nfs/dbraw/zinc/31/03/52/1035310352.db2.gz RAQJDQKYNLVHNA-JOCHJYFZSA-N 1 1 319.448 3.800 20 30 DHEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(SC)cc1 ZINC001176771801 1035330175 /nfs/dbraw/zinc/33/01/75/1035330175.db2.gz VZEKHHYBFUUBHP-HNNXBMFYSA-N 1 1 304.459 3.778 20 30 DHEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(F)c1 ZINC001176771346 1035330505 /nfs/dbraw/zinc/33/05/05/1035330505.db2.gz JZPFJQBIQIQSDL-ZDUSSCGKSA-N 1 1 310.800 3.848 20 30 DHEDMO CC(C)(C)[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)CCO1 ZINC001176995139 1035342858 /nfs/dbraw/zinc/34/28/58/1035342858.db2.gz HRWQERFSICAZEB-KRWDZBQOSA-N 1 1 305.849 3.829 20 30 DHEDMO CC[N@@H+](CCC(C)(C)C#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001177038961 1035345161 /nfs/dbraw/zinc/34/51/61/1035345161.db2.gz NMCMEQLIYZDLJW-OAHLLOKOSA-N 1 1 323.481 3.648 20 30 DHEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)CCCCCCCC)C1 ZINC001177760063 1035391471 /nfs/dbraw/zinc/39/14/71/1035391471.db2.gz XBEIXYLFPNMSAU-ROUUACIJSA-N 1 1 306.494 3.587 20 30 DHEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CCCCCCCC)C1 ZINC001177760063 1035391472 /nfs/dbraw/zinc/39/14/72/1035391472.db2.gz XBEIXYLFPNMSAU-ROUUACIJSA-N 1 1 306.494 3.587 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccccc2OC(F)F)no1 ZINC000904547153 1035424937 /nfs/dbraw/zinc/42/49/37/1035424937.db2.gz AYTBEXDJYHDUGH-LLVKDONJSA-N 1 1 309.316 3.694 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(COc2ccc(Cl)cc2)no1 ZINC000904551539 1035425451 /nfs/dbraw/zinc/42/54/51/1035425451.db2.gz NBYHJNANFVDRJI-CYBMUJFWSA-N 1 1 307.781 3.658 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H](OC)c2cccc(Cl)c2)no1 ZINC000904618679 1035432273 /nfs/dbraw/zinc/43/22/73/1035432273.db2.gz WBFOQRYKHJNUML-KBPBESRZSA-N 1 1 321.808 3.815 20 30 DHEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2ncc(C)cn2)no1 ZINC000904618168 1035432394 /nfs/dbraw/zinc/43/23/94/1035432394.db2.gz PZEPEEJFJARMRF-CYBMUJFWSA-N 1 1 303.410 3.585 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccnc(C(F)(F)F)c2)no1 ZINC000904720329 1035444625 /nfs/dbraw/zinc/44/46/25/1035444625.db2.gz ASPWHUQKDXULPT-SNVBAGLBSA-N 1 1 312.295 3.507 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cc(C)c3ccccc3n2)no1 ZINC000904691842 1035445292 /nfs/dbraw/zinc/44/52/92/1035445292.db2.gz YXQQDBYUQAXCPS-CQSZACIVSA-N 1 1 308.385 3.949 20 30 DHEDMO C#Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c(Cl)c1 ZINC001179656140 1035487597 /nfs/dbraw/zinc/48/75/97/1035487597.db2.gz OBLCROQVIXQASP-KRWDZBQOSA-N 1 1 316.832 3.667 20 30 DHEDMO C[N@H+]1CCN(CC#Cc2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC001193021309 1035540897 /nfs/dbraw/zinc/54/08/97/1035540897.db2.gz IETZXDDBCDOCQJ-FQEVSTJZSA-N 1 1 324.855 3.680 20 30 DHEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCCC[C@H]2c2ccccc2)c1 ZINC001193053655 1035559694 /nfs/dbraw/zinc/55/96/94/1035559694.db2.gz HBVJMRJOXZONNM-PMACEKPBSA-N 1 1 306.409 3.819 20 30 DHEDMO CCC[N@H+](CCN(CC)CC)Cc1c(C)cc(C#N)cc1C ZINC001193198125 1035586486 /nfs/dbraw/zinc/58/64/86/1035586486.db2.gz GGWGXMYFOFVLIV-UHFFFAOYSA-N 1 1 301.478 3.729 20 30 DHEDMO CCC[N@@H+](CCN(CC)CC)Cc1c(C)cc(C#N)cc1C ZINC001193198125 1035586498 /nfs/dbraw/zinc/58/64/98/1035586498.db2.gz GGWGXMYFOFVLIV-UHFFFAOYSA-N 1 1 301.478 3.729 20 30 DHEDMO C=C[C@H](CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000535360033 1035591853 /nfs/dbraw/zinc/59/18/53/1035591853.db2.gz NLTXOCXKFSYIQG-RCCFBDPRSA-N 1 1 314.473 3.725 20 30 DHEDMO COCC[N@@H+](CCc1cc(C)cc(C)c1)Cc1ccc(C#N)cc1 ZINC001180184471 1035608105 /nfs/dbraw/zinc/60/81/05/1035608105.db2.gz PVWMXYIRXHIHPU-UHFFFAOYSA-N 1 1 322.452 3.866 20 30 DHEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC001193460210 1035637027 /nfs/dbraw/zinc/63/70/27/1035637027.db2.gz KUCXTJGSZCKEKE-SJORKVTESA-N 1 1 316.445 3.846 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(C)(C)CC(=O)OCC ZINC001180281208 1035644458 /nfs/dbraw/zinc/64/44/58/1035644458.db2.gz YPRPDRUHAPUARA-UHFFFAOYSA-N 1 1 303.446 3.697 20 30 DHEDMO CCOc1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)c(OC)c1)C2 ZINC000442894601 1035706105 /nfs/dbraw/zinc/70/61/05/1035706105.db2.gz ZSNOYVPFURMHOM-UHFFFAOYSA-N 1 1 322.408 3.524 20 30 DHEDMO CCOc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)c(OC)c1)C2 ZINC000442894601 1035706125 /nfs/dbraw/zinc/70/61/25/1035706125.db2.gz ZSNOYVPFURMHOM-UHFFFAOYSA-N 1 1 322.408 3.524 20 30 DHEDMO C[C@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000494657784 1035762165 /nfs/dbraw/zinc/76/21/65/1035762165.db2.gz CBJXQCDJSNRGNF-GJZGRUSLSA-N 1 1 323.481 3.551 20 30 DHEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@H]1NC(=O)OC(C)(C)C ZINC000494657785 1035763403 /nfs/dbraw/zinc/76/34/03/1035763403.db2.gz CBJXQCDJSNRGNF-HUUCEWRRSA-N 1 1 323.481 3.551 20 30 DHEDMO C[C@H](NC[C@H](C)[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000539607480 1035790968 /nfs/dbraw/zinc/79/09/68/1035790968.db2.gz KAMHBTSXCNUCLG-ILXRZTDVSA-N 1 1 303.425 3.611 20 30 DHEDMO C[C@H](NC[C@H](C)[N@H+]1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000539607480 1035790974 /nfs/dbraw/zinc/79/09/74/1035790974.db2.gz KAMHBTSXCNUCLG-ILXRZTDVSA-N 1 1 303.425 3.611 20 30 DHEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)CC1(c2ccccc2)CC1 ZINC001180897638 1035792703 /nfs/dbraw/zinc/79/27/03/1035792703.db2.gz WVKUOPBSMRIAEB-UHFFFAOYSA-N 1 1 319.452 3.788 20 30 DHEDMO C[C@@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000539608798 1035794476 /nfs/dbraw/zinc/79/44/76/1035794476.db2.gz GOVLOXWUQUVQHS-QLFBSQMISA-N 1 1 303.425 3.611 20 30 DHEDMO C[C@@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000539608798 1035794484 /nfs/dbraw/zinc/79/44/84/1035794484.db2.gz GOVLOXWUQUVQHS-QLFBSQMISA-N 1 1 303.425 3.611 20 30 DHEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000494713732 1035811737 /nfs/dbraw/zinc/81/17/37/1035811737.db2.gz YIAQLWXLMJSJKH-SFHVURJKSA-N 1 1 303.833 3.583 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC001194133875 1035840162 /nfs/dbraw/zinc/84/01/62/1035840162.db2.gz ZHIYYVKIZYBDMN-IBGZPJMESA-N 1 1 305.425 3.950 20 30 DHEDMO N#CC1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000195311255 1035875552 /nfs/dbraw/zinc/87/55/52/1035875552.db2.gz OPVHFMKLAFIQGM-UHFFFAOYSA-N 1 1 316.202 3.737 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCc3cccc(OC)c3C2)cc1 ZINC001204298035 1035914087 /nfs/dbraw/zinc/91/40/87/1035914087.db2.gz UUBDYLGTUKQEJC-UHFFFAOYSA-N 1 1 309.409 3.818 20 30 DHEDMO C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC001194745042 1036001030 /nfs/dbraw/zinc/00/10/30/1036001030.db2.gz KEZPRMXXUPEPDU-NUJGCVRESA-N 1 1 313.445 3.623 20 30 DHEDMO CCCCCCCCOC(=O)NCc1[nH+]cn2ccccc12 ZINC001194753087 1036004267 /nfs/dbraw/zinc/00/42/67/1036004267.db2.gz BBRZGVVUEPGUAG-UHFFFAOYSA-N 1 1 303.406 3.921 20 30 DHEDMO CCCCCCCC[N@@H+](C)CCn1cc(Br)cn1 ZINC001194882409 1036059768 /nfs/dbraw/zinc/05/97/68/1036059768.db2.gz IFFGVATWCJKOGN-UHFFFAOYSA-N 1 1 316.287 3.938 20 30 DHEDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC001194907991 1036072544 /nfs/dbraw/zinc/07/25/44/1036072544.db2.gz ZVXQQEMXJCMQEL-SFHVURJKSA-N 1 1 320.477 3.904 20 30 DHEDMO COc1ccc(CC[N@@H+](CC(C)(C)C)CC2(C#N)CC2)cc1 ZINC000540549543 1036099895 /nfs/dbraw/zinc/09/98/95/1036099895.db2.gz OUVANAKHSDQADF-UHFFFAOYSA-N 1 1 300.446 3.890 20 30 DHEDMO CCC(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)N(C)C ZINC000540709730 1036140235 /nfs/dbraw/zinc/14/02/35/1036140235.db2.gz KFMODCMOXZKZOT-FZKQIMNGSA-N 1 1 305.441 3.714 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000540826808 1036164517 /nfs/dbraw/zinc/16/45/17/1036164517.db2.gz PCWGEIFKPLQRPA-SFHVURJKSA-N 1 1 303.833 3.583 20 30 DHEDMO COc1cc2c(cc1F)C[N@@H+]([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000540838127 1036167649 /nfs/dbraw/zinc/16/76/49/1036167649.db2.gz QPJKAZFRZOETCV-ZDUSSCGKSA-N 1 1 310.372 3.825 20 30 DHEDMO COc1cc2c(cc1F)C[N@H+]([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000540838127 1036167660 /nfs/dbraw/zinc/16/76/60/1036167660.db2.gz QPJKAZFRZOETCV-ZDUSSCGKSA-N 1 1 310.372 3.825 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)Cc1ccsc1 ZINC000541218868 1036262745 /nfs/dbraw/zinc/26/27/45/1036262745.db2.gz SUUPCLXBBRVYOQ-HNNXBMFYSA-N 1 1 314.454 3.699 20 30 DHEDMO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000775661711 1036280420 /nfs/dbraw/zinc/28/04/20/1036280420.db2.gz DDUMUZKFPUIBIN-XHSDSOJGSA-N 1 1 308.466 3.578 20 30 DHEDMO Fc1ccc(CN[NH+]=C2CCCNc3ccccc32)c(F)c1 ZINC000774386102 1036310610 /nfs/dbraw/zinc/31/06/10/1036310610.db2.gz UAAQJHKBTMNWRA-UHFFFAOYSA-N 1 1 301.340 3.664 20 30 DHEDMO C[C@@H](CC#N)NC[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001195658831 1036313456 /nfs/dbraw/zinc/31/34/56/1036313456.db2.gz DYRRSAXISMKJEC-RXVVDRJESA-N 1 1 321.468 3.794 20 30 DHEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000495186143 1036323771 /nfs/dbraw/zinc/32/37/71/1036323771.db2.gz CYROFKPXVNSUIZ-CABCVRRESA-N 1 1 323.481 3.551 20 30 DHEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC001182603844 1036407467 /nfs/dbraw/zinc/40/74/67/1036407467.db2.gz APUCTKKLOTWINL-ZDUSSCGKSA-N 1 1 310.363 3.617 20 30 DHEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CCC1 ZINC001182620031 1036412674 /nfs/dbraw/zinc/41/26/74/1036412674.db2.gz WICTWRFPFGONRO-SFHVURJKSA-N 1 1 318.505 3.894 20 30 DHEDMO C=CCN(CC1CCCCC1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC001182678070 1036418418 /nfs/dbraw/zinc/41/84/18/1036418418.db2.gz NEAMOLVEYUHUAG-SFHVURJKSA-N 1 1 306.494 3.846 20 30 DHEDMO CC#CCC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486832298 1036425043 /nfs/dbraw/zinc/42/50/43/1036425043.db2.gz HEOUSEDEGUVXSE-YLJYHZDGSA-N 1 1 321.424 3.504 20 30 DHEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCCC3(CCCC3)CC2)c1 ZINC001196040558 1036427530 /nfs/dbraw/zinc/42/75/30/1036427530.db2.gz XUFUUDFAZJTEDU-UHFFFAOYSA-N 1 1 311.429 3.543 20 30 DHEDMO COc1cccc([C@@]2(C)CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001196131908 1036443743 /nfs/dbraw/zinc/44/37/43/1036443743.db2.gz KAGJKFJRSYZMDM-FQEVSTJZSA-N 1 1 324.399 3.870 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2ccn(-c3ccc(F)cc3F)n2)C1 ZINC001196441243 1036524506 /nfs/dbraw/zinc/52/45/06/1036524506.db2.gz KPXHEPLLHUIGCG-ZDUSSCGKSA-N 1 1 303.356 3.549 20 30 DHEDMO CCc1ccccc1N[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000915051902 1036587707 /nfs/dbraw/zinc/58/77/07/1036587707.db2.gz YBEJSYATPDFQLL-UHFFFAOYSA-N 1 1 309.413 3.532 20 30 DHEDMO C=CCC[C@H](CCC)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001183535153 1036622782 /nfs/dbraw/zinc/62/27/82/1036622782.db2.gz UOABRRUTAJOTIJ-IBGZPJMESA-N 1 1 315.505 3.663 20 30 DHEDMO C[N@H+](CC#Cc1ccccc1Cl)CCc1cccc(C#N)c1 ZINC001197113795 1036692015 /nfs/dbraw/zinc/69/20/15/1036692015.db2.gz CEZBHGQWQGIXFQ-UHFFFAOYSA-N 1 1 308.812 3.738 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001197266702 1036723050 /nfs/dbraw/zinc/72/30/50/1036723050.db2.gz XPEZWDRRHLMOFM-LJQANCHMSA-N 1 1 321.399 3.682 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC001197266702 1036723071 /nfs/dbraw/zinc/72/30/71/1036723071.db2.gz XPEZWDRRHLMOFM-LJQANCHMSA-N 1 1 321.399 3.682 20 30 DHEDMO CC#CC[N@@H+](C)Cc1ccc(Br)cc1C(F)(F)F ZINC001184116369 1036750763 /nfs/dbraw/zinc/75/07/63/1036750763.db2.gz WHOUBRIHXGURAL-UHFFFAOYSA-N 1 1 320.152 3.923 20 30 DHEDMO CCCC#CC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC001184270280 1036782050 /nfs/dbraw/zinc/78/20/50/1036782050.db2.gz ILEBKKHRBJZOQP-UHFFFAOYSA-N 1 1 309.413 3.797 20 30 DHEDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CCC(C)(C)C#N ZINC000495641466 1036803439 /nfs/dbraw/zinc/80/34/39/1036803439.db2.gz PNRXHTIKDRRBFV-AWEZNQCLSA-N 1 1 315.417 3.576 20 30 DHEDMO COc1cc(C[N@H+]2CCO[C@H](c3ccccc3)CC2)ccc1C#N ZINC001184352174 1036822008 /nfs/dbraw/zinc/82/20/08/1036822008.db2.gz XYZZCRFNGBEVPT-IBGZPJMESA-N 1 1 322.408 3.530 20 30 DHEDMO Cc1cc(C[N@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)ccc1C#N ZINC000488110043 1036853772 /nfs/dbraw/zinc/85/37/72/1036853772.db2.gz LQTCAMAQTICKKN-YWZLYKJASA-N 1 1 306.409 3.691 20 30 DHEDMO Cc1cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000488117538 1036865588 /nfs/dbraw/zinc/86/55/88/1036865588.db2.gz QBDMJDYFPSPPMQ-NRFANRHFSA-N 1 1 319.452 3.573 20 30 DHEDMO Cc1cc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000488117538 1036865611 /nfs/dbraw/zinc/86/56/11/1036865611.db2.gz QBDMJDYFPSPPMQ-NRFANRHFSA-N 1 1 319.452 3.573 20 30 DHEDMO Cc1cc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000488117538 1036865629 /nfs/dbraw/zinc/86/56/29/1036865629.db2.gz QBDMJDYFPSPPMQ-NRFANRHFSA-N 1 1 319.452 3.573 20 30 DHEDMO CC[N@H+](Cc1ccc(C#N)cc1F)C[C@H](O)c1ccc(C)cc1 ZINC000174734135 1036902482 /nfs/dbraw/zinc/90/24/82/1036902482.db2.gz GVOKRAZBNBAWEQ-IBGZPJMESA-N 1 1 312.388 3.561 20 30 DHEDMO Cc1cc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)ccc1C#N ZINC000488226101 1036909456 /nfs/dbraw/zinc/90/94/56/1036909456.db2.gz BWJZOPUOLXOGRM-OAQYLSRUSA-N 1 1 320.436 3.739 20 30 DHEDMO Cc1cc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)ccc1C#N ZINC000488226096 1036910331 /nfs/dbraw/zinc/91/03/31/1036910331.db2.gz BWJZOPUOLXOGRM-NRFANRHFSA-N 1 1 320.436 3.739 20 30 DHEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc(C#N)ccc1Br ZINC000492634500 1036949878 /nfs/dbraw/zinc/94/98/78/1036949878.db2.gz XGVIMUMRFCUTEM-FZMZJTMJSA-N 1 1 307.235 3.941 20 30 DHEDMO C#CC[N@H+](Cc1ccc(CO)cc1)[C@@H]1CCCc2ccccc21 ZINC001198104177 1036953983 /nfs/dbraw/zinc/95/39/83/1036953983.db2.gz MOCZVHRCIQGTPG-OAQYLSRUSA-N 1 1 305.421 3.692 20 30 DHEDMO Cc1cc(C[NH2+]Cc2ncoc2-c2ccccc2)ccc1C#N ZINC000443983496 1036961671 /nfs/dbraw/zinc/96/16/71/1036961671.db2.gz DHQNOWQVQFNXRC-UHFFFAOYSA-N 1 1 303.365 3.812 20 30 DHEDMO Cc1cc(C[NH2+]Cc2nnc(-c3ccccc3)s2)ccc1C#N ZINC000443978635 1036961841 /nfs/dbraw/zinc/96/18/41/1036961841.db2.gz IKTPIMJKYQOICM-UHFFFAOYSA-N 1 1 320.421 3.675 20 30 DHEDMO COc1cccc(SCC[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC001198203059 1036968413 /nfs/dbraw/zinc/96/84/13/1036968413.db2.gz VLVJQVINHQICJR-UHFFFAOYSA-N 1 1 318.467 3.852 20 30 DHEDMO C[N@@H+](CCNc1nc(C(C)(C)C)ccc1C#N)C1CCCCC1 ZINC001185046563 1037016904 /nfs/dbraw/zinc/01/69/04/1037016904.db2.gz QFGSLHVWDRLIOL-UHFFFAOYSA-N 1 1 314.477 3.927 20 30 DHEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C)cc(C)cc1C ZINC001198407560 1037016917 /nfs/dbraw/zinc/01/69/17/1037016917.db2.gz WLKFPNLVGXVCOU-KRWDZBQOSA-N 1 1 300.446 3.981 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1F ZINC000193613809 1037023560 /nfs/dbraw/zinc/02/35/60/1037023560.db2.gz RJEPIQYCWHHXLR-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000488553667 1037070340 /nfs/dbraw/zinc/07/03/40/1037070340.db2.gz LPLQGMUAAMYEGB-KBPBESRZSA-N 1 1 308.853 3.804 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2Cc2ccc(O)cc2)s1 ZINC001198604104 1037078933 /nfs/dbraw/zinc/07/89/33/1037078933.db2.gz HUHHUMODRLFOOG-HNNXBMFYSA-N 1 1 312.438 3.923 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(C(C)C)cc1 ZINC001198639352 1037089703 /nfs/dbraw/zinc/08/97/03/1037089703.db2.gz ZGHZPYXPEFVNFG-KRWDZBQOSA-N 1 1 317.502 3.747 20 30 DHEDMO Fc1ccc(C#CC[N@@H+]2CCO[C@H](c3ccccc3)CC2)cc1 ZINC001198705848 1037114404 /nfs/dbraw/zinc/11/44/04/1037114404.db2.gz MUQVCGWFWYZCEH-FQEVSTJZSA-N 1 1 309.384 3.641 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CCO[C@H](c3ccccc3)CC2)cc1 ZINC001198705848 1037114413 /nfs/dbraw/zinc/11/44/13/1037114413.db2.gz MUQVCGWFWYZCEH-FQEVSTJZSA-N 1 1 309.384 3.641 20 30 DHEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@]12CCC[C@H]1OCC2 ZINC001198790463 1037122973 /nfs/dbraw/zinc/12/29/73/1037122973.db2.gz IDRSJDNFFSCYQV-IAGOWNOFSA-N 1 1 304.821 3.603 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](CNCc1ccc(C)cc1F)C(C)C ZINC001199196965 1037212571 /nfs/dbraw/zinc/21/25/71/1037212571.db2.gz DEXFIOPZDQLCEK-IBGZPJMESA-N 1 1 304.453 3.922 20 30 DHEDMO N#CC1(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)CC1 ZINC000775973389 1037265538 /nfs/dbraw/zinc/26/55/38/1037265538.db2.gz BWYATJNIYMMONR-INIZCTEOSA-N 1 1 312.438 3.587 20 30 DHEDMO N#CC1(C[N@@H+](Cc2ccccc2)C[C@H](O)c2cccs2)CC1 ZINC000775973389 1037265526 /nfs/dbraw/zinc/26/55/26/1037265526.db2.gz BWYATJNIYMMONR-INIZCTEOSA-N 1 1 312.438 3.587 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000609234141 1037412415 /nfs/dbraw/zinc/41/24/15/1037412415.db2.gz SRJZHGIVHJIDGD-LJQANCHMSA-N 1 1 310.372 3.661 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489431273 1037429160 /nfs/dbraw/zinc/42/91/60/1037429160.db2.gz DUBVWUHGBNBKDJ-OAHLLOKOSA-N 1 1 313.357 3.790 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489431273 1037429167 /nfs/dbraw/zinc/42/91/67/1037429167.db2.gz DUBVWUHGBNBKDJ-OAHLLOKOSA-N 1 1 313.357 3.790 20 30 DHEDMO CCC[N@H+]1CC[C@H](Nc2cc(C(F)(F)F)c(F)cc2C#N)C1 ZINC001187139538 1037582371 /nfs/dbraw/zinc/58/23/71/1037582371.db2.gz COANNVWTCBBXQF-NSHDSACASA-N 1 1 315.314 3.612 20 30 DHEDMO C[C@H](CN[C@@H](C)c1ccc(OCC#N)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000776153520 1037600586 /nfs/dbraw/zinc/60/05/86/1037600586.db2.gz DCGUSASDZVMEHT-BBWFWOEESA-N 1 1 315.461 3.502 20 30 DHEDMO C[C@H](CN[C@@H](C)c1ccc(OCC#N)cc1)[N@H+]1CCCC[C@@H]1C ZINC000776153520 1037600595 /nfs/dbraw/zinc/60/05/95/1037600595.db2.gz DCGUSASDZVMEHT-BBWFWOEESA-N 1 1 315.461 3.502 20 30 DHEDMO C[C@H](NCC[NH+]1[C@@H](C)CCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000776156855 1037612326 /nfs/dbraw/zinc/61/23/26/1037612326.db2.gz MMEPGUHCYLCEBT-ULQDDVLXSA-N 1 1 315.461 3.502 20 30 DHEDMO C=C(C)C[N@H+](CCOC)Cc1cc(Br)cs1 ZINC000494020187 1037622303 /nfs/dbraw/zinc/62/23/03/1037622303.db2.gz XOCUQAPWXAROEL-UHFFFAOYSA-N 1 1 304.253 3.535 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000490363121 1037689207 /nfs/dbraw/zinc/68/92/07/1037689207.db2.gz GBBXUGAFKTUONA-MGPUTAFESA-N 1 1 306.409 3.865 20 30 DHEDMO C=CCN1CC[C@]2(CCC[N@H+](C[C@@H](C)CCC=C(C)C)C2)C1=O ZINC001201488006 1037708263 /nfs/dbraw/zinc/70/82/63/1037708263.db2.gz WRUUZLJWKONPBS-ICSRJNTNSA-N 1 1 318.505 3.869 20 30 DHEDMO Cc1cc(C[N@H+](Cc2ccccc2)[C@H](C)CCO)ccc1C#N ZINC000488099634 1037715210 /nfs/dbraw/zinc/71/52/10/1037715210.db2.gz DKULWUSMVGAXIU-QGZVFWFLSA-N 1 1 308.425 3.640 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000185030853 1037774660 /nfs/dbraw/zinc/77/46/60/1037774660.db2.gz XEWYUMCELZLJFN-CZUORRHYSA-N 1 1 308.853 3.661 20 30 DHEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000763411516 1037829287 /nfs/dbraw/zinc/82/92/87/1037829287.db2.gz AACCLYJPDNCRJV-UXHICEINSA-N 1 1 324.399 3.958 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@H]2C[C@H](c3nc(C)no3)O[C@@H]2C1 ZINC001201762909 1037889207 /nfs/dbraw/zinc/88/92/07/1037889207.db2.gz ZDDRKMMDRVFVGH-ARFHVFGLSA-N 1 1 307.438 3.500 20 30 DHEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](CCCCCCC)CC2 ZINC001201776722 1037903708 /nfs/dbraw/zinc/90/37/08/1037903708.db2.gz IXEQMOLZGQDMES-LJQANCHMSA-N 1 1 306.494 3.990 20 30 DHEDMO CCCCCCCC[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001201826373 1037911851 /nfs/dbraw/zinc/91/18/51/1037911851.db2.gz UBKOKZZOLKRGLY-UHFFFAOYSA-N 1 1 314.477 3.826 20 30 DHEDMO CCCCCCCC[N@@H+]1CCn2c(C(=O)OCC)cnc2[C@@H]1C ZINC001201840235 1037916458 /nfs/dbraw/zinc/91/64/58/1037916458.db2.gz PVESLQFRWAIAMR-HNNXBMFYSA-N 1 1 321.465 3.797 20 30 DHEDMO CCCCCCCC[N@H+]1CCn2c(C(=O)OCC)cnc2[C@@H]1C ZINC001201840235 1037916483 /nfs/dbraw/zinc/91/64/83/1037916483.db2.gz PVESLQFRWAIAMR-HNNXBMFYSA-N 1 1 321.465 3.797 20 30 DHEDMO CCCCCCCC[N@H+]1CCC[C@@H](NC(=O)c2cccnc2)C1 ZINC001201839874 1037918215 /nfs/dbraw/zinc/91/82/15/1037918215.db2.gz LLWWWFBGFHINOL-GOSISDBHSA-N 1 1 317.477 3.636 20 30 DHEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OC(F)F)c(Br)c1 ZINC000775182504 1037930471 /nfs/dbraw/zinc/93/04/71/1037930471.db2.gz ATQHRUBHZHXCDW-SECBINFHSA-N 1 1 318.161 3.504 20 30 DHEDMO C=CC[N@H+](CCCCn1ccnc1C)Cc1cccc(C#N)c1 ZINC000125488745 1037937755 /nfs/dbraw/zinc/93/77/55/1037937755.db2.gz SVVXHUYHIWGQHP-UHFFFAOYSA-N 1 1 308.429 3.532 20 30 DHEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000586776204 1037950565 /nfs/dbraw/zinc/95/05/65/1037950565.db2.gz YZXONIHOERBVAS-BEFAXECRSA-N 1 1 321.424 3.935 20 30 DHEDMO CCC[N@@H+](Cc1ccccc1O)Cc1cc(C#N)ccc1OC ZINC000154157558 1037955264 /nfs/dbraw/zinc/95/52/64/1037955264.db2.gz RMQDVTXAKLMASM-UHFFFAOYSA-N 1 1 310.397 3.685 20 30 DHEDMO CCc1ccc([C@H]2CCC[N@@H+](Cc3ccnc(C#N)c3)C2)cc1 ZINC000586784715 1037967295 /nfs/dbraw/zinc/96/72/95/1037967295.db2.gz VXFFJWFNIRADOW-IBGZPJMESA-N 1 1 305.425 3.895 20 30 DHEDMO Cc1noc([C@H]2CCC[N@@H+]2Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000586788693 1037971561 /nfs/dbraw/zinc/97/15/61/1037971561.db2.gz MLLORCZJKVEPSX-MRXNPFEDSA-N 1 1 310.401 3.516 20 30 DHEDMO Cc1noc([C@H]2CCC[N@H+]2Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000586788693 1037971575 /nfs/dbraw/zinc/97/15/75/1037971575.db2.gz MLLORCZJKVEPSX-MRXNPFEDSA-N 1 1 310.401 3.516 20 30 DHEDMO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1c(F)cncc1F ZINC000586795670 1037976759 /nfs/dbraw/zinc/97/67/59/1037976759.db2.gz DASAHDONXUMGKB-DIFFPNOSSA-N 1 1 313.351 3.960 20 30 DHEDMO C=CCOc1ccccc1C[N@H+](C)Cc1ccc(O)c(OC)c1 ZINC000125969448 1037995433 /nfs/dbraw/zinc/99/54/33/1037995433.db2.gz WXNSAABBYFLAQH-UHFFFAOYSA-N 1 1 313.397 3.598 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c(O)c(OC)c1 ZINC000163969118 1038031757 /nfs/dbraw/zinc/03/17/57/1038031757.db2.gz JTASPCKRGWMJLC-UHFFFAOYSA-N 1 1 322.408 3.633 20 30 DHEDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC(C)(C)CCC#N ZINC000494362652 1038062594 /nfs/dbraw/zinc/06/25/94/1038062594.db2.gz ISWPLGLXZLJTFX-LSDHHAIUSA-N 1 1 323.481 3.551 20 30 DHEDMO CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000609204299 1038100684 /nfs/dbraw/zinc/10/06/84/1038100684.db2.gz FDEIUCOCTIUDBT-HZPDHXFCSA-N 1 1 319.493 3.570 20 30 DHEDMO CC[N@@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)C[C@@H](C)C#N ZINC000164225390 1038104401 /nfs/dbraw/zinc/10/44/01/1038104401.db2.gz GNKPYVMIVVRTOM-ZDUSSCGKSA-N 1 1 304.434 3.680 20 30 DHEDMO CC[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)C[C@@H](C)C#N ZINC000164225390 1038104406 /nfs/dbraw/zinc/10/44/06/1038104406.db2.gz GNKPYVMIVVRTOM-ZDUSSCGKSA-N 1 1 304.434 3.680 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1cccc(C(=O)N(C)C)c1 ZINC000065959276 1038129928 /nfs/dbraw/zinc/12/99/28/1038129928.db2.gz VBNQSFWFALZKDU-UHFFFAOYSA-N 1 1 322.452 3.619 20 30 DHEDMO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000127013044 1038141743 /nfs/dbraw/zinc/14/17/43/1038141743.db2.gz MMXIERZERVIXDQ-HNNXBMFYSA-N 1 1 323.481 3.648 20 30 DHEDMO CN(C)c1ccc(C[N@H+](Cc2cc(C#N)ccc2F)C2CC2)cc1 ZINC000917073877 1038161751 /nfs/dbraw/zinc/16/17/51/1038161751.db2.gz FTIDAMVRYDLSCB-UHFFFAOYSA-N 1 1 323.415 3.928 20 30 DHEDMO CN(C)c1ccc(C[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)cc1 ZINC000917073877 1038161756 /nfs/dbraw/zinc/16/17/56/1038161756.db2.gz FTIDAMVRYDLSCB-UHFFFAOYSA-N 1 1 323.415 3.928 20 30 DHEDMO C#C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCO1 ZINC000775343751 1038255263 /nfs/dbraw/zinc/25/52/63/1038255263.db2.gz XWZNXJDXWFIDNI-KGLIPLIRSA-N 1 1 317.738 3.629 20 30 DHEDMO COc1nc(C)cc(C)c1C[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000588199164 1038273931 /nfs/dbraw/zinc/27/39/31/1038273931.db2.gz BSGJJLHVVQZRES-HNNXBMFYSA-N 1 1 309.413 3.772 20 30 DHEDMO COc1nc(C)cc(C)c1C[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000588199164 1038273942 /nfs/dbraw/zinc/27/39/42/1038273942.db2.gz BSGJJLHVVQZRES-HNNXBMFYSA-N 1 1 309.413 3.772 20 30 DHEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2cccc(C(F)F)c2C#N)C[C@@H](C)C1 ZINC000572016636 1038320546 /nfs/dbraw/zinc/32/05/46/1038320546.db2.gz XZHYIRNAWRPXAN-IGCXYCKISA-N 1 1 319.399 3.662 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc1 ZINC001191077877 1038432046 /nfs/dbraw/zinc/43/20/46/1038432046.db2.gz OFTCKXKLEWNBOE-AYBZRNKSSA-N 1 1 310.441 3.650 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000589190485 1038447762 /nfs/dbraw/zinc/44/77/62/1038447762.db2.gz VROGGOSXQYCBEQ-IBGZPJMESA-N 1 1 314.473 3.508 20 30 DHEDMO CCCCCCCNC(=O)Nc1cc[nH+]c(N2CCCC2)c1 ZINC001191086933 1038448027 /nfs/dbraw/zinc/44/80/27/1038448027.db2.gz SRQJKZZOWMQAGV-UHFFFAOYSA-N 1 1 304.438 3.774 20 30 DHEDMO Cn1cc(C[N@@H+](C)[C@H]2C[C@H](Oc3ccccc3)C2(C)C)cc1C#N ZINC000589205881 1038449358 /nfs/dbraw/zinc/44/93/58/1038449358.db2.gz UCXIPBBRQYZCEU-OALUTQOASA-N 1 1 323.440 3.575 20 30 DHEDMO Cc1[nH+]ccn1CCCOc1ccc(C(F)(F)F)c(C#N)c1 ZINC000589270525 1038456342 /nfs/dbraw/zinc/45/63/42/1038456342.db2.gz DQLPQJJGHDJXFW-UHFFFAOYSA-N 1 1 309.291 3.551 20 30 DHEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ncoc1-c1ccccc1)CC2 ZINC000589342017 1038461630 /nfs/dbraw/zinc/46/16/30/1038461630.db2.gz PWEIYCYKQQAACM-GOSISDBHSA-N 1 1 315.376 3.990 20 30 DHEDMO Cc1ccc(C[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)cc1C ZINC001191774453 1038537788 /nfs/dbraw/zinc/53/77/88/1038537788.db2.gz WCKBRNWGSJVKEH-OAQYLSRUSA-N 1 1 319.452 3.686 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3(C#N)CC3)cc2)C1 ZINC000590158307 1038593301 /nfs/dbraw/zinc/59/33/01/1038593301.db2.gz MNCFZWUUGLRKBP-OAHLLOKOSA-N 1 1 311.429 3.551 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1C(C)C ZINC001192275196 1038619664 /nfs/dbraw/zinc/61/96/64/1038619664.db2.gz IQXCESITFDJBIQ-HNNXBMFYSA-N 1 1 301.434 3.582 20 30 DHEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000775523132 1038630820 /nfs/dbraw/zinc/63/08/20/1038630820.db2.gz GZQFUHKTOONVQP-ZDUSSCGKSA-N 1 1 300.789 3.598 20 30 DHEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001192302875 1038633419 /nfs/dbraw/zinc/63/34/19/1038633419.db2.gz NFMCGIUZPTVWEK-LAPQFRIASA-N 1 1 324.399 3.739 20 30 DHEDMO C=C(C)CC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC001192371112 1038642355 /nfs/dbraw/zinc/64/23/55/1038642355.db2.gz XFPPDMYQNIJCBG-PXNSSMCTSA-N 1 1 315.505 3.889 20 30 DHEDMO CC[NH+](CC)[C@H](CNCc1cccc(C#N)c1)c1ccccc1 ZINC000057597188 1038687369 /nfs/dbraw/zinc/68/73/69/1038687369.db2.gz BPDBCKTXPJRODT-HXUWFJFHSA-N 1 1 307.441 3.731 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001192831250 1038704202 /nfs/dbraw/zinc/70/42/02/1038704202.db2.gz ACZWPEITLBERTN-JTQLQIEISA-N 1 1 317.295 3.595 20 30 DHEDMO N#CC1(CCCC[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)CCC1 ZINC001192955101 1038720174 /nfs/dbraw/zinc/72/01/74/1038720174.db2.gz FKMKKFFHGKKHRU-IRXDYDNUSA-N 1 1 322.518 3.837 20 30 DHEDMO N#Cc1cc(C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)ccn1 ZINC000591049048 1038748779 /nfs/dbraw/zinc/74/87/79/1038748779.db2.gz PKFNLUDVVJRTDK-LJQANCHMSA-N 1 1 303.409 3.723 20 30 DHEDMO CC(=O)N1CC[C@@H]([NH2+]CC2(C#N)CCCCC2)c2ccccc21 ZINC000598679687 1038820061 /nfs/dbraw/zinc/82/00/61/1038820061.db2.gz LARVWJWIHUHWPC-QGZVFWFLSA-N 1 1 311.429 3.548 20 30 DHEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc(F)cc2c1OCOC2 ZINC000045796820 1038827251 /nfs/dbraw/zinc/82/72/51/1038827251.db2.gz XKTXVUBKQJHKQS-UHFFFAOYSA-N 1 1 313.372 3.880 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(F)cc2c1OCOC2 ZINC000045796820 1038827277 /nfs/dbraw/zinc/82/72/77/1038827277.db2.gz XKTXVUBKQJHKQS-UHFFFAOYSA-N 1 1 313.372 3.880 20 30 DHEDMO C[N@@H+]1CCCC[C@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000599071871 1039029999 /nfs/dbraw/zinc/02/99/99/1039029999.db2.gz UZCDRHCYSZNURH-YLJYHZDGSA-N 1 1 311.473 3.647 20 30 DHEDMO C[N@H+]1CCCC[C@H](CN[C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000599071871 1039030016 /nfs/dbraw/zinc/03/00/16/1039030016.db2.gz UZCDRHCYSZNURH-YLJYHZDGSA-N 1 1 311.473 3.647 20 30 DHEDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)cc1OC ZINC000599253744 1039101868 /nfs/dbraw/zinc/10/18/68/1039101868.db2.gz POOXEIABJGNYDG-UHFFFAOYSA-N 1 1 324.424 3.824 20 30 DHEDMO Cc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1C#N ZINC000599272520 1039110985 /nfs/dbraw/zinc/11/09/85/1039110985.db2.gz OYHFKSYZMZZTJU-UHFFFAOYSA-N 1 1 301.393 3.903 20 30 DHEDMO N#Cc1cnccc1C[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000592072622 1039115666 /nfs/dbraw/zinc/11/56/66/1039115666.db2.gz CXOACPQSFVKLTH-FQEVSTJZSA-N 1 1 303.409 3.995 20 30 DHEDMO N#Cc1cnccc1C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000592072622 1039115672 /nfs/dbraw/zinc/11/56/72/1039115672.db2.gz CXOACPQSFVKLTH-FQEVSTJZSA-N 1 1 303.409 3.995 20 30 DHEDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccncc2C#N)C12CCCCC2 ZINC000592072991 1039115927 /nfs/dbraw/zinc/11/59/27/1039115927.db2.gz UEHDPHCDICYWDB-MSOLQXFVSA-N 1 1 313.445 3.513 20 30 DHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccncc2C#N)C12CCCCC2 ZINC000592072991 1039115930 /nfs/dbraw/zinc/11/59/30/1039115930.db2.gz UEHDPHCDICYWDB-MSOLQXFVSA-N 1 1 313.445 3.513 20 30 DHEDMO N#Cc1cnccc1C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000592070638 1039116073 /nfs/dbraw/zinc/11/60/73/1039116073.db2.gz SOSPTYVQRHPVRF-HNNXBMFYSA-N 1 1 309.438 3.567 20 30 DHEDMO N#Cc1cnccc1C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000592070638 1039116079 /nfs/dbraw/zinc/11/60/79/1039116079.db2.gz SOSPTYVQRHPVRF-HNNXBMFYSA-N 1 1 309.438 3.567 20 30 DHEDMO N#Cc1cnccc1C[NH+]1CCC(c2ccc(F)c(F)c2)CC1 ZINC000592067909 1039117026 /nfs/dbraw/zinc/11/70/26/1039117026.db2.gz YZXVESQKWYZINZ-UHFFFAOYSA-N 1 1 313.351 3.611 20 30 DHEDMO C[N@H+](Cc1ccncc1C#N)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000592121829 1039123432 /nfs/dbraw/zinc/12/34/32/1039123432.db2.gz IUOKUMAZOOCTND-OALUTQOASA-N 1 1 321.424 3.631 20 30 DHEDMO C[N@@H+](Cc1ccncc1C#N)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000592121829 1039123437 /nfs/dbraw/zinc/12/34/37/1039123437.db2.gz IUOKUMAZOOCTND-OALUTQOASA-N 1 1 321.424 3.631 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000592140235 1039125937 /nfs/dbraw/zinc/12/59/37/1039125937.db2.gz ZYHHTOVJLXEXCW-SFHVURJKSA-N 1 1 305.425 3.872 20 30 DHEDMO CC(C)(C#N)CC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592139488 1039127220 /nfs/dbraw/zinc/12/72/20/1039127220.db2.gz GRMABKOUIKKDCH-SFHVURJKSA-N 1 1 300.446 3.589 20 30 DHEDMO C[C@@]1(Cc2ccccc2F)CCC[N@H+]1Cc1ccncc1C#N ZINC000592143561 1039139092 /nfs/dbraw/zinc/13/90/92/1039139092.db2.gz IEDKHSZTVWFLIR-IBGZPJMESA-N 1 1 309.388 3.690 20 30 DHEDMO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C#N ZINC000599359248 1039139781 /nfs/dbraw/zinc/13/97/81/1039139781.db2.gz MGIMDQXAHFXTAU-AEFFLSMTSA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1ccc(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1C#N ZINC000599359248 1039139789 /nfs/dbraw/zinc/13/97/89/1039139789.db2.gz MGIMDQXAHFXTAU-AEFFLSMTSA-N 1 1 311.473 3.609 20 30 DHEDMO Cc1ccc(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C#N ZINC000599359248 1039139795 /nfs/dbraw/zinc/13/97/95/1039139795.db2.gz MGIMDQXAHFXTAU-AEFFLSMTSA-N 1 1 311.473 3.609 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C)c(C#N)c1 ZINC000599414247 1039155631 /nfs/dbraw/zinc/15/56/31/1039155631.db2.gz BWIDGNQUFDMSIN-UHFFFAOYSA-N 1 1 310.397 3.530 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C)c(C#N)c1 ZINC000599414247 1039155642 /nfs/dbraw/zinc/15/56/42/1039155642.db2.gz BWIDGNQUFDMSIN-UHFFFAOYSA-N 1 1 310.397 3.530 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H]2CCc2ccccc2)cc1 ZINC000592169379 1039163793 /nfs/dbraw/zinc/16/37/93/1039163793.db2.gz ZSFRRUFEIVASIN-LEWJYISDSA-N 1 1 320.436 3.516 20 30 DHEDMO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@H+]1CCCCC(C)(C)C#N ZINC000599499395 1039169706 /nfs/dbraw/zinc/16/97/06/1039169706.db2.gz HLUBQVJWMPRNND-GOSISDBHSA-N 1 1 308.466 3.903 20 30 DHEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3C3CCC3)o2)cc1 ZINC000592198229 1039182069 /nfs/dbraw/zinc/18/20/69/1039182069.db2.gz LFZRMKHNESXGKH-KRWDZBQOSA-N 1 1 322.412 3.763 20 30 DHEDMO C[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)C[C@H](C)C1(F)F ZINC000599512455 1039182979 /nfs/dbraw/zinc/18/29/79/1039182979.db2.gz JWISRKQQQKUSPG-OKILXGFUSA-N 1 1 308.372 3.550 20 30 DHEDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000603855302 1039188844 /nfs/dbraw/zinc/18/88/44/1039188844.db2.gz UNVUFKQVIANRPM-CYBMUJFWSA-N 1 1 316.351 3.908 20 30 DHEDMO CC1(C)CCC(C)(C)[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000599538819 1039206025 /nfs/dbraw/zinc/20/60/25/1039206025.db2.gz TZOCBTCYJLOUIN-UHFFFAOYSA-N 1 1 319.474 3.849 20 30 DHEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586596 1039221928 /nfs/dbraw/zinc/22/19/28/1039221928.db2.gz AWCXSPQAKLLXIP-GJZGRUSLSA-N 1 1 308.466 3.616 20 30 DHEDMO CCc1ccc(C2CC[NH+](Cc3nc(C#N)cs3)CC2)cc1 ZINC000599669038 1039251086 /nfs/dbraw/zinc/25/10/86/1039251086.db2.gz LGEWOABZWQZOMF-UHFFFAOYSA-N 1 1 311.454 3.957 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](CCc3ccc(C#N)cc3)C2)cc1F ZINC000599674742 1039254345 /nfs/dbraw/zinc/25/43/45/1039254345.db2.gz CNIFMKVPGWWQNI-GOSISDBHSA-N 1 1 324.399 3.738 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](C[C@@H]1CCC3(CCCC3)O1)C2 ZINC000599676961 1039254909 /nfs/dbraw/zinc/25/49/09/1039254909.db2.gz CVPAGYGQIVHSLK-SFHVURJKSA-N 1 1 310.441 3.603 20 30 DHEDMO COCC[C@@H](c1ccccc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677578 1039256081 /nfs/dbraw/zinc/25/60/81/1039256081.db2.gz MXAQYNZYVICRDO-NRFANRHFSA-N 1 1 320.436 3.889 20 30 DHEDMO N#CCc1cccc2c1CC[N@H+](CC1CCC(F)(F)CC1)C2 ZINC000599678504 1039265534 /nfs/dbraw/zinc/26/55/34/1039265534.db2.gz SAAYFACJJIMNFM-UHFFFAOYSA-N 1 1 304.384 3.936 20 30 DHEDMO C/C=C/C[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000599689223 1039271436 /nfs/dbraw/zinc/27/14/36/1039271436.db2.gz HOEKJSVJIUBQEL-FAAWYNLUSA-N 1 1 322.412 3.786 20 30 DHEDMO Cc1ccc(CN2CC[C@H](C[N@H+](C)[C@@H]3CC[C@@H](C#N)C3)C2)s1 ZINC000593030873 1039359890 /nfs/dbraw/zinc/35/98/90/1039359890.db2.gz PIXCPZRNKNNPON-BRWVUGGUSA-N 1 1 317.502 3.503 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCSCC#N)CCc2ccc(Cl)cc21 ZINC000593068113 1039369288 /nfs/dbraw/zinc/36/92/88/1039369288.db2.gz YWPMCBIRDMBRSJ-CYBMUJFWSA-N 1 1 308.878 3.948 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2F)n1 ZINC000593081142 1039425788 /nfs/dbraw/zinc/42/57/88/1039425788.db2.gz IAFQWOKAFSHVDA-OAHLLOKOSA-N 1 1 315.417 3.751 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2F)n1 ZINC000593081142 1039425799 /nfs/dbraw/zinc/42/57/99/1039425799.db2.gz IAFQWOKAFSHVDA-OAHLLOKOSA-N 1 1 315.417 3.751 20 30 DHEDMO COc1ccc(C[C@H]2CCCC[N@H+]2Cc2ccncc2C#N)cc1 ZINC000593082594 1039426856 /nfs/dbraw/zinc/42/68/56/1039426856.db2.gz LEPSNSMZADFSHW-LJQANCHMSA-N 1 1 321.424 3.559 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000604392925 1039463697 /nfs/dbraw/zinc/46/36/97/1039463697.db2.gz LHAHXRLEDOXRIP-LNLFQRSKSA-N 1 1 314.473 3.678 20 30 DHEDMO CC(C)(C)[C@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075716475 1039491524 /nfs/dbraw/zinc/49/15/24/1039491524.db2.gz ZPGFHUXKESLYLH-OAHLLOKOSA-N 1 1 310.401 3.619 20 30 DHEDMO CCOc1cc(C[NH2+]CC2(C#N)CCCC2)cc(Cl)c1OC ZINC000593650432 1039577279 /nfs/dbraw/zinc/57/72/79/1039577279.db2.gz RVTOCMBAFCXBMF-UHFFFAOYSA-N 1 1 322.836 3.921 20 30 DHEDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000593660895 1039583843 /nfs/dbraw/zinc/58/38/43/1039583843.db2.gz PLXWXCIUFYWRGH-QGZVFWFLSA-N 1 1 316.445 3.759 20 30 DHEDMO CC[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)[C@H](CC)CO1 ZINC000593662018 1039584493 /nfs/dbraw/zinc/58/44/93/1039584493.db2.gz WSNORXODEWXQSQ-QZTJIDSGSA-N 1 1 316.445 3.759 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C2(CCC2)CO1 ZINC000593680179 1039586903 /nfs/dbraw/zinc/58/69/03/1039586903.db2.gz SPLKTCIFCFJWDR-INIZCTEOSA-N 1 1 314.429 3.513 20 30 DHEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2cccc3ccccc32)no1 ZINC000593943802 1039631989 /nfs/dbraw/zinc/63/19/89/1039631989.db2.gz OQZFIKGUNOAYCW-INIZCTEOSA-N 1 1 306.369 3.974 20 30 DHEDMO N#Cc1c(F)cccc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000059018934 1039713638 /nfs/dbraw/zinc/71/36/38/1039713638.db2.gz MCSSUPYBBNJPCI-INIZCTEOSA-N 1 1 309.388 3.774 20 30 DHEDMO C=CCCC[N@H+](C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000605740739 1039745028 /nfs/dbraw/zinc/74/50/28/1039745028.db2.gz VICIPQVPAMLWSZ-QGZVFWFLSA-N 1 1 305.462 3.622 20 30 DHEDMO CCCC[N@H+](C)C[C@@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594521469 1039828264 /nfs/dbraw/zinc/82/82/64/1039828264.db2.gz RMPUJMZRAGSPAU-MRXNPFEDSA-N 1 1 301.478 3.698 20 30 DHEDMO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594521469 1039828288 /nfs/dbraw/zinc/82/82/88/1039828288.db2.gz RMPUJMZRAGSPAU-MRXNPFEDSA-N 1 1 301.478 3.698 20 30 DHEDMO N#Cc1cc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)nc2ccccc12 ZINC000594603453 1039845282 /nfs/dbraw/zinc/84/52/82/1039845282.db2.gz VJSNCTFQWFKHGD-ZWKOTPCHSA-N 1 1 306.413 3.535 20 30 DHEDMO N#Cc1cc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)nc2ccccc12 ZINC000594603450 1039845990 /nfs/dbraw/zinc/84/59/90/1039845990.db2.gz VJSNCTFQWFKHGD-MSOLQXFVSA-N 1 1 306.413 3.535 20 30 DHEDMO C=CC[N@H+](CCOCc1ccc(OC)cc1)Cc1ccccc1 ZINC000594718043 1039900924 /nfs/dbraw/zinc/90/09/24/1039900924.db2.gz XQOIGUGVZIUCIS-UHFFFAOYSA-N 1 1 311.425 3.900 20 30 DHEDMO C[C@@H]1CCC[C@H](C)[N@H+]1CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594922476 1039926622 /nfs/dbraw/zinc/92/66/22/1039926622.db2.gz GDMTUAHHLFRGQP-CALCHBBNSA-N 1 1 311.473 3.594 20 30 DHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594922476 1039926631 /nfs/dbraw/zinc/92/66/31/1039926631.db2.gz GDMTUAHHLFRGQP-CALCHBBNSA-N 1 1 311.473 3.594 20 30 DHEDMO N#CC1(C[NH2+]Cc2c(C3CC3)nc3sccn23)CCCCC1 ZINC000594981748 1040001157 /nfs/dbraw/zinc/00/11/57/1040001157.db2.gz UJJQPRWKAKBFNK-UHFFFAOYSA-N 1 1 314.458 3.837 20 30 DHEDMO Cc1nn(-c2ccccc2)cc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594995858 1040010735 /nfs/dbraw/zinc/01/07/35/1040010735.db2.gz UATARUOAQGVGGT-UHFFFAOYSA-N 1 1 308.429 3.744 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC2(CCCCC2)O1 ZINC000594059736 1040045344 /nfs/dbraw/zinc/04/53/44/1040045344.db2.gz ZMPAJPSFZANLJG-CQSZACIVSA-N 1 1 302.393 3.621 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC2(CCCCC2)O1 ZINC000594059736 1040045361 /nfs/dbraw/zinc/04/53/61/1040045361.db2.gz ZMPAJPSFZANLJG-CQSZACIVSA-N 1 1 302.393 3.621 20 30 DHEDMO Cn1cc[nH+]c1C[C@H](Nc1ccc(F)cc1C#N)c1ccccc1 ZINC000078558877 1040086825 /nfs/dbraw/zinc/08/68/25/1040086825.db2.gz BNXAZTJHDIYPEM-SFHVURJKSA-N 1 1 320.371 3.827 20 30 DHEDMO CCC[N@@H+](CCc1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000595330122 1040097886 /nfs/dbraw/zinc/09/78/86/1040097886.db2.gz JBAUEEULUDKHPB-IPMKNSEASA-N 1 1 312.457 3.626 20 30 DHEDMO CCC[N@@H+](CCc1ccc(C#N)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000595330125 1040098316 /nfs/dbraw/zinc/09/83/16/1040098316.db2.gz JBAUEEULUDKHPB-OTWHNJEPSA-N 1 1 312.457 3.626 20 30 DHEDMO N#C[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000595376525 1040127586 /nfs/dbraw/zinc/12/75/86/1040127586.db2.gz KALHJNIGVLBRKY-UKRRQHHQSA-N 1 1 300.793 3.507 20 30 DHEDMO C[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1nnc2n1CCCCC2 ZINC000595433311 1040139231 /nfs/dbraw/zinc/13/92/31/1040139231.db2.gz MCDUPVJANOLXID-OAHLLOKOSA-N 1 1 315.465 3.519 20 30 DHEDMO N#C[C@@H](c1ccccc1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000595468602 1040146460 /nfs/dbraw/zinc/14/64/60/1040146460.db2.gz UNDVGHCRCXKMEX-IBGZPJMESA-N 1 1 320.440 3.664 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)c(F)c1 ZINC000063300723 1040182082 /nfs/dbraw/zinc/18/20/82/1040182082.db2.gz PCKBGRAEKYWQEA-UHFFFAOYSA-N 1 1 310.372 3.894 20 30 DHEDMO C=CC[N@H+](CCOc1cccc(F)c1)Cc1cccc(C#N)c1 ZINC000063300138 1040182252 /nfs/dbraw/zinc/18/22/52/1040182252.db2.gz YJQHPZVZIQHSKW-UHFFFAOYSA-N 1 1 310.372 3.764 20 30 DHEDMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611829 1040207451 /nfs/dbraw/zinc/20/74/51/1040207451.db2.gz NSFAGFMKTPEHKI-HZPDHXFCSA-N 1 1 321.424 3.792 20 30 DHEDMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611829 1040207463 /nfs/dbraw/zinc/20/74/63/1040207463.db2.gz NSFAGFMKTPEHKI-HZPDHXFCSA-N 1 1 321.424 3.792 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000595660993 1040215583 /nfs/dbraw/zinc/21/55/83/1040215583.db2.gz VHPSPLOXBUBPAT-GFCCVEGCSA-N 1 1 301.346 3.524 20 30 DHEDMO C[C@@H](O)[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000595764522 1040235707 /nfs/dbraw/zinc/23/57/07/1040235707.db2.gz AMMXBJXETQYVBT-FOIQADDNSA-N 1 1 306.409 3.570 20 30 DHEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595746574 1040240771 /nfs/dbraw/zinc/24/07/71/1040240771.db2.gz DIGJJNCVXCNFEN-RBUKOAKNSA-N 1 1 314.473 3.804 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c(Cl)c1 ZINC000595789296 1040254939 /nfs/dbraw/zinc/25/49/39/1040254939.db2.gz QNCHROWQCHKICE-SJLPKXTDSA-N 1 1 318.848 3.993 20 30 DHEDMO CC(C)[N@H+]1CCCC[C@H]1CN(Cc1ccc(C#N)cc1)C1CC1 ZINC001168423491 1040273907 /nfs/dbraw/zinc/27/39/07/1040273907.db2.gz LAWCQDCCCMVOCG-FQEVSTJZSA-N 1 1 311.473 3.786 20 30 DHEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000595870689 1040277286 /nfs/dbraw/zinc/27/72/86/1040277286.db2.gz JJYCHTBKMKUBJY-OAHLLOKOSA-N 1 1 317.458 3.603 20 30 DHEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000595870689 1040277303 /nfs/dbraw/zinc/27/73/03/1040277303.db2.gz JJYCHTBKMKUBJY-OAHLLOKOSA-N 1 1 317.458 3.603 20 30 DHEDMO Cc1ccc(C#N)nc1N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000596087502 1040302694 /nfs/dbraw/zinc/30/26/94/1040302694.db2.gz GBWNDPQPMBVMBC-QAPCUYQASA-N 1 1 306.413 3.509 20 30 DHEDMO CCCCC(N)=[NH+]OCc1csc(Cc2ccccc2)n1 ZINC000063460025 1040303788 /nfs/dbraw/zinc/30/37/88/1040303788.db2.gz WAOXBHZUSFLHBK-UHFFFAOYSA-N 1 1 303.431 3.713 20 30 DHEDMO Cc1ccc(C#N)nc1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000596153991 1040320227 /nfs/dbraw/zinc/32/02/27/1040320227.db2.gz ZHYOZIMMWPHDKY-SJLPKXTDSA-N 1 1 320.440 3.727 20 30 DHEDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596980858 1040613491 /nfs/dbraw/zinc/61/34/91/1040613491.db2.gz VNKBRVHFSSPWCU-LJQANCHMSA-N 1 1 305.425 3.917 20 30 DHEDMO CCCn1nccc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000596984096 1040618266 /nfs/dbraw/zinc/61/82/66/1040618266.db2.gz PYCCCTRSKBDKMM-UHFFFAOYSA-N 1 1 310.445 3.823 20 30 DHEDMO COC[C@@H](C)Oc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000596996312 1040628556 /nfs/dbraw/zinc/62/85/56/1040628556.db2.gz RKWZLUNTWYOOQF-MRXNPFEDSA-N 1 1 318.461 3.862 20 30 DHEDMO COC[C@@H](C)Oc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000596996312 1040628566 /nfs/dbraw/zinc/62/85/66/1040628566.db2.gz RKWZLUNTWYOOQF-MRXNPFEDSA-N 1 1 318.461 3.862 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CC[C@H](C)C1 ZINC000597112711 1040653519 /nfs/dbraw/zinc/65/35/19/1040653519.db2.gz IEMSSFZWGNRCBM-QFBILLFUSA-N 1 1 312.457 3.879 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CC4(CCOCC4)[C@@H]3C3CC3)cc2)CC1 ZINC000597136347 1040662246 /nfs/dbraw/zinc/66/22/46/1040662246.db2.gz VVTACSJDOOEMJO-IBGZPJMESA-N 1 1 322.452 3.633 20 30 DHEDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1OCC ZINC000597172483 1040666501 /nfs/dbraw/zinc/66/65/01/1040666501.db2.gz AUNVMBDUVOAQPT-INIZCTEOSA-N 1 1 316.445 4.000 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC2(CCCC2)O1 ZINC000597156227 1040669810 /nfs/dbraw/zinc/66/98/10/1040669810.db2.gz LNSFPEBIPYJUFG-MRXNPFEDSA-N 1 1 310.441 3.775 20 30 DHEDMO COc1ccc(C[C@@H](C)C[N@H+]2CCC[C@H](CC#N)C2)cc1F ZINC000597177610 1040678425 /nfs/dbraw/zinc/67/84/25/1040678425.db2.gz QGLVVTCQPQDVSR-HUUCEWRRSA-N 1 1 304.409 3.639 20 30 DHEDMO Cc1nn(-c2ccc(C)cc2)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597177903 1040678664 /nfs/dbraw/zinc/67/86/64/1040678664.db2.gz RYMYPJCWOOJDLX-KRWDZBQOSA-N 1 1 308.429 3.615 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1OC ZINC000597175238 1040679087 /nfs/dbraw/zinc/67/90/87/1040679087.db2.gz XHEQEPMTYNNTMN-INIZCTEOSA-N 1 1 314.429 3.776 20 30 DHEDMO C=CCC[C@H](C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000457087433 1041012277 /nfs/dbraw/zinc/01/22/77/1041012277.db2.gz JLSSPLKGQIYDNP-OALUTQOASA-N 1 1 314.473 3.678 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000602432843 1041032595 /nfs/dbraw/zinc/03/25/95/1041032595.db2.gz JENBNRRJUGAUCD-HOCLYGCPSA-N 1 1 300.402 3.535 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCN(c2ccccc2)C1 ZINC000602440893 1041034136 /nfs/dbraw/zinc/03/41/36/1041034136.db2.gz MHEXXAZNZBJJJJ-LJQANCHMSA-N 1 1 305.425 3.517 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000602459911 1041044425 /nfs/dbraw/zinc/04/44/25/1041044425.db2.gz WKYYSPPXVYRPBV-GDBMZVCRSA-N 1 1 300.402 3.535 20 30 DHEDMO COc1ccc(C[C@H]2CCC[N@@H+](C[C@@H](C)CCC#N)C2)cc1 ZINC000602470188 1041046123 /nfs/dbraw/zinc/04/61/23/1041046123.db2.gz XZPUDNYHMQLMCY-FUHWJXTLSA-N 1 1 300.446 3.890 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000602483017 1041054496 /nfs/dbraw/zinc/05/44/96/1041054496.db2.gz IHHNVEUXLAFMOA-XJKSGUPXSA-N 1 1 324.371 3.601 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000602483017 1041054505 /nfs/dbraw/zinc/05/45/05/1041054505.db2.gz IHHNVEUXLAFMOA-XJKSGUPXSA-N 1 1 324.371 3.601 20 30 DHEDMO C[C@H](CCC#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000602548504 1041087779 /nfs/dbraw/zinc/08/77/79/1041087779.db2.gz YITBLYYLCSLRSQ-VOBGVNJCSA-N 1 1 311.473 3.711 20 30 DHEDMO CCC[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(F)cc1F ZINC000602570881 1041103640 /nfs/dbraw/zinc/10/36/40/1041103640.db2.gz XHKSVFLRQJCHAU-KRWDZBQOSA-N 1 1 301.340 3.862 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000602634286 1041137989 /nfs/dbraw/zinc/13/79/89/1041137989.db2.gz MMSJTJGBYMILRG-HNNXBMFYSA-N 1 1 304.409 3.747 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCc2ccc(Br)cc2C1 ZINC000602655778 1041145469 /nfs/dbraw/zinc/14/54/69/1041145469.db2.gz VOPANJZXOXPNGU-GFCCVEGCSA-N 1 1 307.235 3.747 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000602662919 1041147570 /nfs/dbraw/zinc/14/75/70/1041147570.db2.gz OADLYANOBVUICK-WBVHZDCISA-N 1 1 323.444 3.591 20 30 DHEDMO N#Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)n1 ZINC000602661728 1041148164 /nfs/dbraw/zinc/14/81/64/1041148164.db2.gz KUGIFSVAQRITFV-AQNXPRMDSA-N 1 1 303.409 3.721 20 30 DHEDMO N#CCC1(C[NH+]2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)CC1 ZINC000602762236 1041194393 /nfs/dbraw/zinc/19/43/93/1041194393.db2.gz CUFFKADYQSQWEW-UWVGGRQHSA-N 1 1 314.273 3.743 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)c(Cl)c1 ZINC000602855079 1041264669 /nfs/dbraw/zinc/26/46/69/1041264669.db2.gz PEGJFJWUTFPKLA-MRXNPFEDSA-N 1 1 311.816 3.986 20 30 DHEDMO CC(C)(C)c1cnc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)o1 ZINC000602912574 1041292894 /nfs/dbraw/zinc/29/28/94/1041292894.db2.gz NFLWEYXNRCBIFT-UHFFFAOYSA-N 1 1 324.428 3.618 20 30 DHEDMO C[N@H+](Cc1cccc(OCc2ccccn2)c1)[C@H]1CCC[C@@H]1C#N ZINC000602982615 1041330618 /nfs/dbraw/zinc/33/06/18/1041330618.db2.gz VKCYFLIYHJYSLC-XLIONFOSSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@@H+](Cc1cccc(OCc2ccccn2)c1)[C@H]1CCC[C@@H]1C#N ZINC000602982615 1041330627 /nfs/dbraw/zinc/33/06/27/1041330627.db2.gz VKCYFLIYHJYSLC-XLIONFOSSA-N 1 1 321.424 3.785 20 30 DHEDMO C[N@H+](Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602975516 1041334387 /nfs/dbraw/zinc/33/43/87/1041334387.db2.gz BZUDONXZXSTJBD-HIFRSBDPSA-N 1 1 312.335 3.752 20 30 DHEDMO C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602975516 1041334401 /nfs/dbraw/zinc/33/44/01/1041334401.db2.gz BZUDONXZXSTJBD-HIFRSBDPSA-N 1 1 312.335 3.752 20 30 DHEDMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602975484 1041335890 /nfs/dbraw/zinc/33/58/90/1041335890.db2.gz BOIMRRIWZYFIGV-HIFRSBDPSA-N 1 1 312.335 3.752 20 30 DHEDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602975484 1041335902 /nfs/dbraw/zinc/33/59/02/1041335902.db2.gz BOIMRRIWZYFIGV-HIFRSBDPSA-N 1 1 312.335 3.752 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997570 1041336874 /nfs/dbraw/zinc/33/68/74/1041336874.db2.gz NBGATOLBPHHILT-UHOSZYNNSA-N 1 1 312.457 3.613 20 30 DHEDMO Cc1cc(C)cc(C2=CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC2)c1 ZINC000598601119 1041341941 /nfs/dbraw/zinc/34/19/41/1041341941.db2.gz QNEFQJCLHDETPQ-IBGZPJMESA-N 1 1 312.457 3.693 20 30 DHEDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598592097 1041351719 /nfs/dbraw/zinc/35/17/19/1041351719.db2.gz FMLBNGDISFUGRO-AEFFLSMTSA-N 1 1 300.446 3.543 20 30 DHEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598595529 1041353865 /nfs/dbraw/zinc/35/38/65/1041353865.db2.gz PAOQRGVRRFJSRT-MSOLQXFVSA-N 1 1 302.462 3.549 20 30 DHEDMO C[C@H](C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C ZINC000603055986 1041360981 /nfs/dbraw/zinc/36/09/81/1041360981.db2.gz PIBAKTJPKUILHI-CYBMUJFWSA-N 1 1 312.417 3.722 20 30 DHEDMO C[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000598620295 1041362166 /nfs/dbraw/zinc/36/21/66/1041362166.db2.gz ANCRWLPWXUKTOK-KURKYZTESA-N 1 1 300.446 3.555 20 30 DHEDMO C[C@@H](c1ccco1)[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000088549223 185257284 /nfs/dbraw/zinc/25/72/84/185257284.db2.gz PDTYTQIGXJPXNI-AWEZNQCLSA-N 1 1 323.396 3.705 20 30 DHEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2c(F)cncc2F)cc1 ZINC000285712155 335024740 /nfs/dbraw/zinc/02/47/40/335024740.db2.gz PPDRFSHFKHJEFQ-STQMWFEESA-N 1 1 316.351 3.784 20 30 DHEDMO C=C(C)CN1CCC([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000286321344 335032900 /nfs/dbraw/zinc/03/29/00/335032900.db2.gz XOVZZRPXWLLEGP-GOSISDBHSA-N 1 1 316.493 3.661 20 30 DHEDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000563830256 335034189 /nfs/dbraw/zinc/03/41/89/335034189.db2.gz AXFSXHXZOCUQLE-OCCSQVGLSA-N 1 1 319.474 3.705 20 30 DHEDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000563830256 335034190 /nfs/dbraw/zinc/03/41/90/335034190.db2.gz AXFSXHXZOCUQLE-OCCSQVGLSA-N 1 1 319.474 3.705 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccccn2)cc1OC ZINC000183675332 335036992 /nfs/dbraw/zinc/03/69/92/335036992.db2.gz QGZFZDVYZQNUAA-HNNXBMFYSA-N 1 1 312.413 3.848 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000165730137 335046679 /nfs/dbraw/zinc/04/66/79/335046679.db2.gz RIJSJPZYLSPODW-AWEZNQCLSA-N 1 1 316.405 3.533 20 30 DHEDMO Fc1ccc(C#CC[NH+]2CCC(F)(c3ccccn3)CC2)cc1 ZINC000289451396 335063594 /nfs/dbraw/zinc/06/35/94/335063594.db2.gz XIUBGUJGMODMBB-UHFFFAOYSA-N 1 1 312.363 3.533 20 30 DHEDMO CC(=O)c1ccc(C#N)c(NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000272534763 130038816 /nfs/dbraw/zinc/03/88/16/130038816.db2.gz PDMGEWMAPAMLHY-GOSISDBHSA-N 1 1 323.396 3.603 20 30 DHEDMO COc1ccc([C@@H](C[NH+](C)C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000284363321 131074303 /nfs/dbraw/zinc/07/43/03/131074303.db2.gz NFFQAUSENFKIET-MGPUTAFESA-N 1 1 323.440 3.520 20 30 DHEDMO N#Cc1ccc(F)c(C[NH+]2CCC(F)(c3ccccn3)CC2)c1 ZINC000289343144 131375954 /nfs/dbraw/zinc/37/59/54/131375954.db2.gz MCAWCDCBCHLEFJ-UHFFFAOYSA-N 1 1 313.351 3.553 20 30 DHEDMO CC[C@H]([NH2+]Cc1cc(F)cnc1Cl)c1ccc(C#N)cc1 ZINC000297264167 132006082 /nfs/dbraw/zinc/00/60/82/132006082.db2.gz KHIRZOMFKIKLMB-HNNXBMFYSA-N 1 1 303.768 3.987 20 30 DHEDMO Cc1ccccc1[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000299208590 132093701 /nfs/dbraw/zinc/09/37/01/132093701.db2.gz ARIZHWYDGRIFEE-MRXNPFEDSA-N 1 1 321.424 3.888 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000290295121 335070876 /nfs/dbraw/zinc/07/08/76/335070876.db2.gz ASVJCTPNCDKXQS-IBGZPJMESA-N 1 1 323.440 3.766 20 30 DHEDMO C=C(Cl)C[NH+]1CCC([C@@H](O)c2ccc(OCC)cc2)CC1 ZINC000291747648 335083483 /nfs/dbraw/zinc/08/34/83/335083483.db2.gz KJMAOQJZSGKARU-KRWDZBQOSA-N 1 1 309.837 3.583 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425554323 335086801 /nfs/dbraw/zinc/08/68/01/335086801.db2.gz OFZJQKKNRLHBKI-HNAYVOBHSA-N 1 1 310.441 3.900 20 30 DHEDMO C=C(C)[C@H](Nc1cc[nH+]c(N(C)C)n1)c1ccc(F)c(F)c1 ZINC000475723449 429716454 /nfs/dbraw/zinc/71/64/54/429716454.db2.gz NHPXCHKMZYDEMB-HNNXBMFYSA-N 1 1 304.344 3.550 20 30 DHEDMO C[C@@H](CNc1cc(C#N)c2ccccc2n1)[N@H+]1CCC[C@H](C)C1 ZINC000524053055 434968943 /nfs/dbraw/zinc/96/89/43/434968943.db2.gz IKKBPNDOJMOKPX-GJZGRUSLSA-N 1 1 308.429 3.639 20 30 DHEDMO C[C@H]1C[C@@H](CCNc2ccc(C#N)cn2)C[N@H+]1Cc1ccccc1 ZINC000532797300 435193991 /nfs/dbraw/zinc/19/39/91/435193991.db2.gz KENDNSABDGOGAX-FUHWJXTLSA-N 1 1 320.440 3.666 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1nc(C2CCCCC2)no1 ZINC000249034692 332898636 /nfs/dbraw/zinc/89/86/36/332898636.db2.gz RZFDQUZKVAYBOR-GZBFAFLISA-N 1 1 302.422 3.850 20 30 DHEDMO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCc1cc(C#N)cs1 ZINC000530953014 331642379 /nfs/dbraw/zinc/64/23/79/331642379.db2.gz UMVHFGSIYRQBKZ-DOTOQJQBSA-N 1 1 305.491 3.610 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)cc1)C(C)C ZINC000085440734 332012236 /nfs/dbraw/zinc/01/22/36/332012236.db2.gz MXXUNQCEZBOFLV-KRWDZBQOSA-N 1 1 315.461 3.585 20 30 DHEDMO C=CC[N@@H+](CC/C=C/c1cncc(OC)c1)CCc1ccco1 ZINC000566169293 332013720 /nfs/dbraw/zinc/01/37/20/332013720.db2.gz BMKOZAAOANMIAG-QPJJXVBHSA-N 1 1 312.413 3.817 20 30 DHEDMO CCCOc1c(Cl)cc(C[NH2+]CC2(C#N)CC2)cc1OCC ZINC000559333436 332029141 /nfs/dbraw/zinc/02/91/41/332029141.db2.gz WBGZUQXPJBDXGH-UHFFFAOYSA-N 1 1 322.836 3.921 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCS[C@H](C)CC2)ccc1OC ZINC000426389111 332107158 /nfs/dbraw/zinc/10/71/58/332107158.db2.gz CSKKNLOGQDETIO-OAHLLOKOSA-N 1 1 321.486 3.978 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2ccc3ccccc3c2)C1=O ZINC000410332549 332112164 /nfs/dbraw/zinc/11/21/64/332112164.db2.gz KWIXRNLYFRVFJY-HNAYVOBHSA-N 1 1 308.425 3.620 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2ccc3ccccc3c2)C1=O ZINC000410332547 332112290 /nfs/dbraw/zinc/11/22/90/332112290.db2.gz KWIXRNLYFRVFJY-BEFAXECRSA-N 1 1 308.425 3.620 20 30 DHEDMO C=CC[N@@H+](Cc1ncnn1-c1ccccc1)CC1CCCCC1 ZINC000410372606 332118911 /nfs/dbraw/zinc/11/89/11/332118911.db2.gz IBRKKPJOPXUOGL-UHFFFAOYSA-N 1 1 310.445 3.836 20 30 DHEDMO C=CC[N@H+](Cc1ncnn1-c1ccccc1)CC1CCCCC1 ZINC000410372606 332118913 /nfs/dbraw/zinc/11/89/13/332118913.db2.gz IBRKKPJOPXUOGL-UHFFFAOYSA-N 1 1 310.445 3.836 20 30 DHEDMO CC(C)(CCC#N)C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000092436069 332126270 /nfs/dbraw/zinc/12/62/70/332126270.db2.gz XQZDBNUTKWOWHC-SFHVURJKSA-N 1 1 300.446 3.998 20 30 DHEDMO CCCOc1cc(C[N@H+](CCC#N)CC2CC2)ccc1OC ZINC000093091499 332133884 /nfs/dbraw/zinc/13/38/84/332133884.db2.gz SGEYTCHVJWRKBO-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO CCCOc1cc(C[N@@H+](CCC#N)CC2CC2)ccc1OC ZINC000093091499 332133885 /nfs/dbraw/zinc/13/38/85/332133885.db2.gz SGEYTCHVJWRKBO-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO C=C(C)C[N@@H+](C)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000181282177 332190019 /nfs/dbraw/zinc/19/00/19/332190019.db2.gz IMSNMPRQIJQBIE-UHFFFAOYSA-N 1 1 318.442 3.835 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000181282177 332190020 /nfs/dbraw/zinc/19/00/20/332190020.db2.gz IMSNMPRQIJQBIE-UHFFFAOYSA-N 1 1 318.442 3.835 20 30 DHEDMO CCOc1cc(C[NH2+]CC2(C#N)CC2)ccc1OCC(C)C ZINC000555709823 332265580 /nfs/dbraw/zinc/26/55/80/332265580.db2.gz NYECWOZRGXXSKN-UHFFFAOYSA-N 1 1 302.418 3.513 20 30 DHEDMO C=C(Cl)C[NH+]1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000370870128 332273847 /nfs/dbraw/zinc/27/38/47/332273847.db2.gz LJDZNGHUNYTXSG-QGZVFWFLSA-N 1 1 324.896 3.632 20 30 DHEDMO C[N@@H+](CCCC#N)CC1(c2ccc(Br)cc2)CC1 ZINC000152611150 332313628 /nfs/dbraw/zinc/31/36/28/332313628.db2.gz VHMIFCXAPAKLMA-UHFFFAOYSA-N 1 1 307.235 3.716 20 30 DHEDMO C=CCCC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC000560972984 332397538 /nfs/dbraw/zinc/39/75/38/332397538.db2.gz KUIXAEBXVOQKKF-INIZCTEOSA-N 1 1 308.853 3.805 20 30 DHEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cn(-c2ccccc2)nn1 ZINC000150872808 332449034 /nfs/dbraw/zinc/44/90/34/332449034.db2.gz BHUAHFNYGRUELY-HUUCEWRRSA-N 1 1 317.396 3.551 20 30 DHEDMO CC1(C)CCCc2cc(C#N)c(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)nc21 ZINC000428123561 335111045 /nfs/dbraw/zinc/11/10/45/335111045.db2.gz WXOABLVGDNOUBW-DLBZAZTESA-N 1 1 324.472 3.606 20 30 DHEDMO Cn1c2ccccc2nc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000130394297 332536300 /nfs/dbraw/zinc/53/63/00/332536300.db2.gz VSVIRNMKGOTABG-MRXNPFEDSA-N 1 1 304.397 3.708 20 30 DHEDMO CC(C)C[N@@H+](CC(=O)Nc1ccccc1SCC#N)C(C)C ZINC000173199923 333070540 /nfs/dbraw/zinc/07/05/40/333070540.db2.gz XFHDFORMFZISRY-UHFFFAOYSA-N 1 1 319.474 3.607 20 30 DHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000313846208 333072816 /nfs/dbraw/zinc/07/28/16/333072816.db2.gz FKQMRKGFQDPBPW-LBPRGKRZSA-N 1 1 300.299 3.860 20 30 DHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000313846208 333072818 /nfs/dbraw/zinc/07/28/18/333072818.db2.gz FKQMRKGFQDPBPW-LBPRGKRZSA-N 1 1 300.299 3.860 20 30 DHEDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCCC(C)(C)C#N)c(C)c1 ZINC000174817078 333091282 /nfs/dbraw/zinc/09/12/82/333091282.db2.gz ZOYAREMJLCITES-UHFFFAOYSA-N 1 1 315.461 3.812 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000174843938 333091477 /nfs/dbraw/zinc/09/14/77/333091477.db2.gz ANAQEPGADUZEJE-MRXNPFEDSA-N 1 1 314.429 3.925 20 30 DHEDMO CC1(C)CCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174845107 333091729 /nfs/dbraw/zinc/09/17/29/333091729.db2.gz TXECTBKRXOOKQJ-UHFFFAOYSA-N 1 1 309.413 3.612 20 30 DHEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCC(C)(C)C#N ZINC000175399223 333098440 /nfs/dbraw/zinc/09/84/40/333098440.db2.gz BHOKVFRZTPOMBE-QKKBWIMNSA-N 1 1 306.475 3.747 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000215935653 333102660 /nfs/dbraw/zinc/10/26/60/333102660.db2.gz CQLRNRRGYCBXQR-GOSISDBHSA-N 1 1 300.446 3.638 20 30 DHEDMO N#CCC[N@@H+](Cc1ccc(OCc2ccncc2)cc1)CC1CC1 ZINC000176252216 333110896 /nfs/dbraw/zinc/11/08/96/333110896.db2.gz FZEGPQNYCQYCHZ-UHFFFAOYSA-N 1 1 321.424 3.786 20 30 DHEDMO N#CCC[N@H+](Cc1ccc(OCc2ccncc2)cc1)CC1CC1 ZINC000176252216 333110898 /nfs/dbraw/zinc/11/08/98/333110898.db2.gz FZEGPQNYCQYCHZ-UHFFFAOYSA-N 1 1 321.424 3.786 20 30 DHEDMO Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(CCC#N)CC1 ZINC000563885283 335124071 /nfs/dbraw/zinc/12/40/71/335124071.db2.gz JTQMQXYMULTSAY-UHFFFAOYSA-N 1 1 319.836 3.603 20 30 DHEDMO COc1cc(C)c([C@@H](C)[NH2+]Cc2ccccc2C#N)cc1OC ZINC000179060860 333145880 /nfs/dbraw/zinc/14/58/80/333145880.db2.gz USZQQTUNSSMHHN-CQSZACIVSA-N 1 1 310.397 3.735 20 30 DHEDMO C[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)C[N@H+]1C1CC1 ZINC000387908910 333184692 /nfs/dbraw/zinc/18/46/92/333184692.db2.gz RLRKKHNDJMCFFY-GXFFZTMASA-N 1 1 309.335 3.614 20 30 DHEDMO N#C[C@H]1CCC[C@H]([NH2+][C@@H](c2cccc(F)c2)c2ccccn2)C1 ZINC000185874541 333215231 /nfs/dbraw/zinc/21/52/31/333215231.db2.gz GZIKPECDGMQHHX-FNHZYXHNSA-N 1 1 309.388 3.982 20 30 DHEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000318980988 333238220 /nfs/dbraw/zinc/23/82/20/333238220.db2.gz IMUVUVKEBIYUFJ-AWEZNQCLSA-N 1 1 312.335 3.600 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC000497477537 333254901 /nfs/dbraw/zinc/25/49/01/333254901.db2.gz VLYOTGWMGZVSCS-UHFFFAOYSA-N 1 1 312.388 3.771 20 30 DHEDMO CCc1ccc([C@@H]2C[N@@H+](CCCC(C)(C)C#N)CCO2)cc1 ZINC000190305254 333269709 /nfs/dbraw/zinc/26/97/09/333269709.db2.gz ZMFOIMJTOUJEJK-SFHVURJKSA-N 1 1 300.446 3.952 20 30 DHEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)CCC1 ZINC000364213433 333273422 /nfs/dbraw/zinc/27/34/22/333273422.db2.gz LKBQPBPOGADGLB-ZBFHGGJFSA-N 1 1 318.486 3.604 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000365041086 333334901 /nfs/dbraw/zinc/33/49/01/333334901.db2.gz HAHDSWINGJXNFH-CYBMUJFWSA-N 1 1 302.809 3.522 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000531441865 333353549 /nfs/dbraw/zinc/35/35/49/333353549.db2.gz IRLDXMLZJNLZQH-STQMWFEESA-N 1 1 324.827 3.719 20 30 DHEDMO N#CCCC1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000521431337 333383253 /nfs/dbraw/zinc/38/32/53/333383253.db2.gz QEDDSWNUDNWCTQ-UHFFFAOYSA-N 1 1 319.355 3.675 20 30 DHEDMO C[C@@H](Nc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390814919 333395703 /nfs/dbraw/zinc/39/57/03/333395703.db2.gz ICJGWRKZWHWYMD-VQIMIIECSA-N 1 1 305.425 3.881 20 30 DHEDMO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1nc(-c2ccc(F)cc2)no1 ZINC000365817126 333461035 /nfs/dbraw/zinc/46/10/35/333461035.db2.gz PRQAESLWWGOGOB-YWPYICTPSA-N 1 1 314.364 3.609 20 30 DHEDMO COc1cccc(C[N@@H+](CCC(C)(C)C#N)C[C@H]2CCCO2)c1 ZINC000271996886 334029482 /nfs/dbraw/zinc/02/94/82/334029482.db2.gz GFZMWROLOOAKHQ-GOSISDBHSA-N 1 1 316.445 3.616 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343520284 335174330 /nfs/dbraw/zinc/17/43/30/335174330.db2.gz DOVOCTPOQBPLJN-GOSISDBHSA-N 1 1 306.409 3.751 20 30 DHEDMO COc1ccc2oc([C@H](C)[NH2+]C[C@H](C#N)CCC#N)c(C)c2c1 ZINC000273296727 334045117 /nfs/dbraw/zinc/04/51/17/334045117.db2.gz MEZMEHAJUNVSCR-KBPBESRZSA-N 1 1 311.385 3.844 20 30 DHEDMO CC[N@@H+](CCC#N)Cc1ccc(OCc2ccccc2)cc1O ZINC000273488578 334048161 /nfs/dbraw/zinc/04/81/61/334048161.db2.gz MGWQUPRWIIJICC-UHFFFAOYSA-N 1 1 310.397 3.707 20 30 DHEDMO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CCC(C)(C)C#N ZINC000276205129 334075131 /nfs/dbraw/zinc/07/51/31/334075131.db2.gz JWOXCQONDCRMOT-IRXDYDNUSA-N 1 1 313.489 3.672 20 30 DHEDMO Cc1cc(C)c2c(c1)C[N@H+](CCCC1(C#N)CCOCC1)CC2 ZINC000281301438 334124723 /nfs/dbraw/zinc/12/47/23/334124723.db2.gz JWYYDTKFHCXQAE-UHFFFAOYSA-N 1 1 312.457 3.762 20 30 DHEDMO CC1=CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000281853518 334129197 /nfs/dbraw/zinc/12/91/97/334129197.db2.gz SHTJOOSRNSHPIZ-UHFFFAOYSA-N 1 1 306.413 3.616 20 30 DHEDMO C[C@H](c1ccco1)[N@@H+](CCCC1(C#N)CCOCC1)C1CC1 ZINC000282132360 334131821 /nfs/dbraw/zinc/13/18/21/334131821.db2.gz YXZWQLJYSDLCFI-OAHLLOKOSA-N 1 1 302.418 3.906 20 30 DHEDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CCCCC(C)(C)C#N ZINC000283806693 334141515 /nfs/dbraw/zinc/14/15/15/334141515.db2.gz WQAGYGLBVHOWDI-SJORKVTESA-N 1 1 312.461 3.760 20 30 DHEDMO Cc1c(Cl)cccc1N1CCC[N@@H+](CCCCC#N)CC1 ZINC000284782761 334144515 /nfs/dbraw/zinc/14/45/15/334144515.db2.gz NKHCCXCAMLQNAR-UHFFFAOYSA-N 1 1 305.853 3.854 20 30 DHEDMO COc1cc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c(F)cn1 ZINC000287902774 334158782 /nfs/dbraw/zinc/15/87/82/334158782.db2.gz ZSNIPXPSCHPLFD-GUYCJALGSA-N 1 1 313.376 3.925 20 30 DHEDMO CC[C@@](C)(C#N)C(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000289399980 334164792 /nfs/dbraw/zinc/16/47/92/334164792.db2.gz NCTOZGNXHPTOMO-IBGZPJMESA-N 1 1 313.445 3.927 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000289666720 334167125 /nfs/dbraw/zinc/16/71/25/334167125.db2.gz DDSAGHQAFCEIEV-FQEVSTJZSA-N 1 1 320.440 3.769 20 30 DHEDMO CC(C)(C)OC(=O)[C@]12CCC[C@@H]1C[N@@H+](CC(C)(C)CCC#N)C2 ZINC000343671021 335181461 /nfs/dbraw/zinc/18/14/61/335181461.db2.gz DTKYNKJGVIFSIS-BEFAXECRSA-N 1 1 320.477 3.760 20 30 DHEDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)c(SC)cc1OC ZINC000293063038 334195430 /nfs/dbraw/zinc/19/54/30/334195430.db2.gz LFASQTCKOLADMH-OCCSQVGLSA-N 1 1 320.458 3.550 20 30 DHEDMO Cc1cc(Br)c2c(c1)C[N@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000294406908 334209480 /nfs/dbraw/zinc/20/94/80/334209480.db2.gz CTRYGYNLWWFKCF-TZMCWYRMSA-N 1 1 319.246 3.808 20 30 DHEDMO Cc1cc(Br)c2c(c1)C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000294406908 334209482 /nfs/dbraw/zinc/20/94/82/334209482.db2.gz CTRYGYNLWWFKCF-TZMCWYRMSA-N 1 1 319.246 3.808 20 30 DHEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCCN(c3ccccc3Cl)CC2)C1 ZINC000296123395 334230080 /nfs/dbraw/zinc/23/00/80/334230080.db2.gz YOQFNJXSLBHVKC-LSDHHAIUSA-N 1 1 303.837 3.544 20 30 DHEDMO CC(C)N1CC[C@H]([NH2+]CCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000298639930 334250490 /nfs/dbraw/zinc/25/04/90/334250490.db2.gz WRABNDCHZJATCM-JKSUJKDBSA-N 1 1 309.816 3.506 20 30 DHEDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)CCC#N ZINC000299288719 334254570 /nfs/dbraw/zinc/25/45/70/334254570.db2.gz NQSILVPTKVFBNZ-NSHDSACASA-N 1 1 311.223 3.669 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2cccc3ccccc32)C1=O ZINC000531949939 334303884 /nfs/dbraw/zinc/30/38/84/334303884.db2.gz VVTCTXAHLBWEMW-BEFAXECRSA-N 1 1 308.425 3.620 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CC1CCC1 ZINC000111296285 334318479 /nfs/dbraw/zinc/31/84/79/334318479.db2.gz MUARHOYWLDHVCZ-UHFFFAOYSA-N 1 1 304.459 3.635 20 30 DHEDMO Cc1ccc(C[C@@H](C)[N@@H+](C)CCOc2ccccc2C#N)cc1 ZINC000303780546 334330588 /nfs/dbraw/zinc/33/05/88/334330588.db2.gz SJTLWINCDOQCRU-QGZVFWFLSA-N 1 1 308.425 3.809 20 30 DHEDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000534914359 334346064 /nfs/dbraw/zinc/34/60/64/334346064.db2.gz YCZGADASJCFHSS-INIZCTEOSA-N 1 1 308.425 3.877 20 30 DHEDMO N#Cc1cccc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)c1F ZINC000340839805 334388967 /nfs/dbraw/zinc/38/89/67/334388967.db2.gz YLVBSFDMVYNLSB-LJQANCHMSA-N 1 1 324.399 3.569 20 30 DHEDMO N#Cc1cccc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c1F ZINC000340900649 334389398 /nfs/dbraw/zinc/38/93/98/334389398.db2.gz JPGJLTKETIWZBM-IBGZPJMESA-N 1 1 324.399 3.531 20 30 DHEDMO COCC[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(Cl)c(Cl)c1 ZINC000342045554 334504632 /nfs/dbraw/zinc/50/46/32/334504632.db2.gz JBTOBGQIPUNVEI-CQSZACIVSA-N 1 1 313.228 3.964 20 30 DHEDMO C=CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000532047982 334612575 /nfs/dbraw/zinc/61/25/75/334612575.db2.gz AKJHURLFHOGKCU-SFHVURJKSA-N 1 1 315.800 3.976 20 30 DHEDMO C=C(C)[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc(F)c(F)c1 ZINC000425431243 334907229 /nfs/dbraw/zinc/90/72/29/334907229.db2.gz HPSDDGCPMHDOCN-CVEARBPZSA-N 1 1 322.399 3.571 20 30 DHEDMO CC[C@@H](C)C[N@@H+](CC)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000343708753 335189643 /nfs/dbraw/zinc/18/96/43/335189643.db2.gz LIKBFSFESXDMMD-IAGOWNOFSA-N 1 1 315.461 3.690 20 30 DHEDMO Cn1cc(C[N@@H+](C)C[C@H]2CC=CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000344071169 335214995 /nfs/dbraw/zinc/21/49/95/335214995.db2.gz RONYEURSDOOYNJ-KRWDZBQOSA-N 1 1 320.440 3.747 20 30 DHEDMO C[C@@H]([NH2+][C@H]1COc2ccc(F)cc21)c1ccc(C#N)c(F)c1 ZINC000344140154 335220907 /nfs/dbraw/zinc/22/09/07/335220907.db2.gz VRTPWROCLSLAOY-HWPZZCPQSA-N 1 1 300.308 3.621 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2c(F)cccc2OC(F)F)s1 ZINC000344739843 335272351 /nfs/dbraw/zinc/27/23/51/335272351.db2.gz KHWQLAQJPPPTCL-UHFFFAOYSA-N 1 1 312.316 3.650 20 30 DHEDMO CCC(CC)CN(CCC#N)C(=O)CCn1cc[nH+]c1C(C)C ZINC000345324982 335317377 /nfs/dbraw/zinc/31/73/77/335317377.db2.gz TVWYHEVCJJXMRR-UHFFFAOYSA-N 1 1 318.465 3.575 20 30 DHEDMO CCOc1cc2c(cc1OCC)C[N@@H+](CCC(C)(C)C#N)CC2 ZINC000345710715 335349548 /nfs/dbraw/zinc/34/95/48/335349548.db2.gz LBNFPBPDACDLAY-UHFFFAOYSA-N 1 1 316.445 3.782 20 30 DHEDMO CCC[N@@H+](CC)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000346311233 335398891 /nfs/dbraw/zinc/39/88/91/335398891.db2.gz YJTKAVZLIJTLEB-UHFFFAOYSA-N 1 1 319.474 3.559 20 30 DHEDMO C=C(C)COCC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000346618208 335423973 /nfs/dbraw/zinc/42/39/73/335423973.db2.gz DXKAXZITRXAJJQ-SFHVURJKSA-N 1 1 318.367 3.632 20 30 DHEDMO N#Cc1cc(F)ccc1C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000347629864 335511695 /nfs/dbraw/zinc/51/16/95/335511695.db2.gz MKIDUCQXPIPLRP-KRWDZBQOSA-N 1 1 318.779 3.564 20 30 DHEDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H](C)CCC2CC2)C1 ZINC000329937670 336097191 /nfs/dbraw/zinc/09/71/91/336097191.db2.gz DRLIWBTXFOVWCP-GOEBONIOSA-N 1 1 318.465 3.575 20 30 DHEDMO NC(=O)C1(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC000330187699 336122140 /nfs/dbraw/zinc/12/21/40/336122140.db2.gz TYYGAHFMASNCRV-CQSZACIVSA-N 1 1 321.465 3.836 20 30 DHEDMO O=C(Nc1cc(F)ccc1O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000330293587 336136373 /nfs/dbraw/zinc/13/63/73/336136373.db2.gz HXPJPHKRJTVWPX-OAHLLOKOSA-N 1 1 306.381 3.916 20 30 DHEDMO CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(F)(C#N)CC2)c1C ZINC000352484167 336221500 /nfs/dbraw/zinc/22/15/00/336221500.db2.gz MJEGWLKNKOVHHR-UHFFFAOYSA-N 1 1 302.393 3.642 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc2ncccc2c1 ZINC000352798189 336237944 /nfs/dbraw/zinc/23/79/44/336237944.db2.gz JSKYTWKIWVRXNR-UHFFFAOYSA-N 1 1 322.408 3.898 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000352804214 336240852 /nfs/dbraw/zinc/24/08/52/336240852.db2.gz ZWPZQNSPCOJOMI-QZTJIDSGSA-N 1 1 311.473 3.645 20 30 DHEDMO C[N@H+](Cc1ccc(Br)o1)Cc1cccc(C#N)c1 ZINC000030215338 336243849 /nfs/dbraw/zinc/24/38/49/336243849.db2.gz HFOHLLTZLCLBAN-UHFFFAOYSA-N 1 1 305.175 3.546 20 30 DHEDMO C[N@@H+](Cc1ccc(Br)o1)Cc1cccc(C#N)c1 ZINC000030215338 336243850 /nfs/dbraw/zinc/24/38/50/336243850.db2.gz HFOHLLTZLCLBAN-UHFFFAOYSA-N 1 1 305.175 3.546 20 30 DHEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000532518260 336253403 /nfs/dbraw/zinc/25/34/03/336253403.db2.gz YJGRQMOKHOKPTP-DLBZAZTESA-N 1 1 302.462 3.535 20 30 DHEDMO CC[NH+](CC)CC1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000532605299 336257364 /nfs/dbraw/zinc/25/73/64/336257364.db2.gz ZRQRHTSSXABSDT-UHFFFAOYSA-N 1 1 318.892 3.745 20 30 DHEDMO C[C@H](C#N)C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C1CC1 ZINC000532815680 336272098 /nfs/dbraw/zinc/27/20/98/336272098.db2.gz GCMCVOGMDDRZRG-GFCCVEGCSA-N 1 1 312.335 3.752 20 30 DHEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C1CC1 ZINC000532815680 336272099 /nfs/dbraw/zinc/27/20/99/336272099.db2.gz GCMCVOGMDDRZRG-GFCCVEGCSA-N 1 1 312.335 3.752 20 30 DHEDMO N#Cc1csc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)n1 ZINC000352840580 336274631 /nfs/dbraw/zinc/27/46/31/336274631.db2.gz NWPWVZIQYZORMS-UHFFFAOYSA-N 1 1 303.818 3.837 20 30 DHEDMO Cc1cc(C)c(C#N)c(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000192954339 336285871 /nfs/dbraw/zinc/28/58/71/336285871.db2.gz XEBTVRZSISCLHM-SFHVURJKSA-N 1 1 320.440 3.504 20 30 DHEDMO CCCC[NH+]1CCC(N[C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000193023304 336287182 /nfs/dbraw/zinc/28/71/82/336287182.db2.gz ULTBUXXHSMSGSP-INIZCTEOSA-N 1 1 315.461 3.504 20 30 DHEDMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc(C#N)c(Cl)c2)C[C@H](C)O1 ZINC000301270051 336297890 /nfs/dbraw/zinc/29/78/90/336297890.db2.gz VABLBUJFVGHZSE-BETUJISGSA-N 1 1 321.852 3.511 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cccc(F)c2C#N)C1 ZINC000301297547 336299526 /nfs/dbraw/zinc/29/95/26/336299526.db2.gz SQTWKBOEULKWLX-JKSUJKDBSA-N 1 1 315.436 3.788 20 30 DHEDMO CCCC[N@@H+](C)CC1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000301525503 336312434 /nfs/dbraw/zinc/31/24/34/336312434.db2.gz MZNDBOGVRDEFBU-UHFFFAOYSA-N 1 1 321.415 3.785 20 30 DHEDMO C[C@H](Nc1cccc(F)c1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000302035101 336344549 /nfs/dbraw/zinc/34/45/49/336344549.db2.gz FBSHYVZAARIPLL-UONOGXRCSA-N 1 1 301.409 3.762 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000302060775 336346200 /nfs/dbraw/zinc/34/62/00/336346200.db2.gz RBDRWEZAGVRMCG-WBVHZDCISA-N 1 1 315.436 3.788 20 30 DHEDMO CC1=CC[N@@H+](CCNc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000302168021 336352071 /nfs/dbraw/zinc/35/20/71/336352071.db2.gz SICHLFQQYBAVCJ-UHFFFAOYSA-N 1 1 309.335 3.641 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(C)c(C#N)n2)cc1 ZINC000302691286 336365172 /nfs/dbraw/zinc/36/51/72/336365172.db2.gz ZMYPCSSNKRQMQE-CQSZACIVSA-N 1 1 317.396 3.929 20 30 DHEDMO C[N@H+]1CC[C@H](Nc2c(F)cc(C#N)cc2F)[C@H]1c1ccccc1 ZINC000302830254 336371259 /nfs/dbraw/zinc/37/12/59/336371259.db2.gz PWBCVWWUHQTRHH-FUHWJXTLSA-N 1 1 313.351 3.694 20 30 DHEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc(C#N)c1 ZINC000352917805 336377017 /nfs/dbraw/zinc/37/70/17/336377017.db2.gz ZITNEEVIBOAOKB-UHFFFAOYSA-N 1 1 308.429 3.914 20 30 DHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc(C#N)c1 ZINC000352917805 336377018 /nfs/dbraw/zinc/37/70/18/336377018.db2.gz ZITNEEVIBOAOKB-UHFFFAOYSA-N 1 1 308.429 3.914 20 30 DHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)CC1(O)CCC(C)CC1 ZINC000352957909 336379285 /nfs/dbraw/zinc/37/92/85/336379285.db2.gz WDGWRTUPKMUOHM-UHFFFAOYSA-N 1 1 319.493 3.783 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2cccc(C(F)(F)F)c2)CC1 ZINC000106246092 336389163 /nfs/dbraw/zinc/38/91/63/336389163.db2.gz CQYAHLYHRZQPTN-UHFFFAOYSA-N 1 1 312.379 3.836 20 30 DHEDMO N#Cc1ccc(N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000108101906 336392936 /nfs/dbraw/zinc/39/29/36/336392936.db2.gz ROSPYTLLDJQVLY-UHFFFAOYSA-N 1 1 319.452 3.703 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1ncc[nH]1 ZINC000353631559 336430206 /nfs/dbraw/zinc/43/02/06/336430206.db2.gz LXPNJBVTFAKXSZ-CQSZACIVSA-N 1 1 302.381 3.799 20 30 DHEDMO CC1(C#N)CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000356943564 336566753 /nfs/dbraw/zinc/56/67/53/336566753.db2.gz BTGPDHBIGKFAKQ-UHFFFAOYSA-N 1 1 303.456 3.997 20 30 DHEDMO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cn1 ZINC000358567650 336634962 /nfs/dbraw/zinc/63/49/62/336634962.db2.gz DGKNNHRDPXFTIZ-ZDUSSCGKSA-N 1 1 313.376 3.732 20 30 DHEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(Cc2ccccn2)CC1 ZINC000370407613 336884497 /nfs/dbraw/zinc/88/44/97/336884497.db2.gz UVIQFOITIVABDH-UHFFFAOYSA-N 1 1 309.388 3.547 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(F)(c3cccnc3)CC2)c(F)c1 ZINC000375361767 337009317 /nfs/dbraw/zinc/00/93/17/337009317.db2.gz LOUIYSZQYXEQBQ-UHFFFAOYSA-N 1 1 313.351 3.553 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000122968783 337031181 /nfs/dbraw/zinc/03/11/81/337031181.db2.gz ATGNGZFLVJKTOJ-MRXNPFEDSA-N 1 1 314.404 3.723 20 30 DHEDMO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCCC(C)(C)C#N ZINC000376508593 337035386 /nfs/dbraw/zinc/03/53/86/337035386.db2.gz VYOQPMATEZOTJN-CQSZACIVSA-N 1 1 315.465 3.642 20 30 DHEDMO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCCC(C)(C)C#N ZINC000376508593 337035387 /nfs/dbraw/zinc/03/53/87/337035387.db2.gz VYOQPMATEZOTJN-CQSZACIVSA-N 1 1 315.465 3.642 20 30 DHEDMO COc1ccc(C[NH2+]Cc2ncoc2-c2ccccc2)cc1C#N ZINC000378156173 337067396 /nfs/dbraw/zinc/06/73/96/337067396.db2.gz XFDACTYLDLJJNW-UHFFFAOYSA-N 1 1 319.364 3.512 20 30 DHEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1cccc(OCCCC#N)c1 ZINC000193907016 337081293 /nfs/dbraw/zinc/08/12/93/337081293.db2.gz KFXKSKINZBLUKY-VKJFTORMSA-N 1 1 301.434 3.510 20 30 DHEDMO CC(C)[N@H+](Cc1ccc(Br)cc1C#N)CC1CC1 ZINC000394100873 337100070 /nfs/dbraw/zinc/10/00/70/337100070.db2.gz ULJRWUQOHWBFFL-UHFFFAOYSA-N 1 1 307.235 3.941 20 30 DHEDMO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000172902284 337132362 /nfs/dbraw/zinc/13/23/62/337132362.db2.gz WIZOGWAFMWJIPC-IFXJQAMLSA-N 1 1 310.372 3.659 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000172902284 337132363 /nfs/dbraw/zinc/13/23/63/337132363.db2.gz WIZOGWAFMWJIPC-IFXJQAMLSA-N 1 1 310.372 3.659 20 30 DHEDMO C=CC[NH+]1CCC(N[C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000177907991 337158897 /nfs/dbraw/zinc/15/88/97/337158897.db2.gz BIDMZCGLIOLRDA-ZDUSSCGKSA-N 1 1 310.388 3.589 20 30 DHEDMO COC[C@@H](C)[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000179371698 337167448 /nfs/dbraw/zinc/16/74/48/337167448.db2.gz LBPCYCBOOPGDTG-MRXNPFEDSA-N 1 1 324.424 3.604 20 30 DHEDMO CC[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)c1cccs1 ZINC000184058834 337196925 /nfs/dbraw/zinc/19/69/25/337196925.db2.gz QWWVLGAULFJVOS-CQSZACIVSA-N 1 1 324.409 3.911 20 30 DHEDMO CC#CCCCC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000185985850 337253729 /nfs/dbraw/zinc/25/37/29/337253729.db2.gz HKDZXXVEGIQJHX-OAHLLOKOSA-N 1 1 309.413 3.552 20 30 DHEDMO N#CCC1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000397208553 337257092 /nfs/dbraw/zinc/25/70/92/337257092.db2.gz CMQYDGKVKUMLFP-UHFFFAOYSA-N 1 1 311.198 3.714 20 30 DHEDMO Cc1cccc2nc(C[N@@H+](Cc3ccc(C#N)cc3)C(C)C)cn21 ZINC000063750677 337288943 /nfs/dbraw/zinc/28/89/43/337288943.db2.gz FOQDCQZRHJXVAR-UHFFFAOYSA-N 1 1 318.424 3.925 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1F ZINC000191958641 337301523 /nfs/dbraw/zinc/30/15/23/337301523.db2.gz LJIXAAFXCVWPSF-IBGZPJMESA-N 1 1 324.399 3.879 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1F ZINC000191977908 337302445 /nfs/dbraw/zinc/30/24/45/337302445.db2.gz WVMYVHUSOSKESI-CQSZACIVSA-N 1 1 301.390 3.533 20 30 DHEDMO N#Cc1ccc(C[NH2+]C2(c3nccs3)CCCC2)cc1F ZINC000192112341 337302903 /nfs/dbraw/zinc/30/29/03/337302903.db2.gz NVXUCOHJMCLHTH-UHFFFAOYSA-N 1 1 301.390 3.713 20 30 DHEDMO C=C(C)C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000103479342 337386651 /nfs/dbraw/zinc/38/66/51/337386651.db2.gz TYNUNSTYKHSQHT-CQSZACIVSA-N 1 1 301.365 3.631 20 30 DHEDMO C=C(Cl)C[N@H+](CCC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000121590879 337396479 /nfs/dbraw/zinc/39/64/79/337396479.db2.gz DXOJIRBDRADXEK-UHFFFAOYSA-N 1 1 322.884 3.527 20 30 DHEDMO C=CCC[C@H]([NH2+]Cc1nncn1C)c1ccc(C(F)(F)F)cc1 ZINC000537129284 337894392 /nfs/dbraw/zinc/89/43/92/337894392.db2.gz OJKGBBYNZRNGNN-AWEZNQCLSA-N 1 1 324.350 3.631 20 30 DHEDMO C=CCCc1ccccc1NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000516074348 338003978 /nfs/dbraw/zinc/00/39/78/338003978.db2.gz PCJJJEREUPDBLG-MRXNPFEDSA-N 1 1 309.413 3.511 20 30 DHEDMO C[C@@H](O)C[N@@H+](CCC1(C#N)CCCCC1)Cc1ccccc1 ZINC000516255214 338009051 /nfs/dbraw/zinc/00/90/51/338009051.db2.gz LYVDMBWJGWBEAJ-QGZVFWFLSA-N 1 1 300.446 3.734 20 30 DHEDMO Cc1cc([C@H]2CCC[N@@H+]2CC#Cc2ccc(Cl)cc2)on1 ZINC000426397228 338030516 /nfs/dbraw/zinc/03/05/16/338030516.db2.gz RRQQWVHLGMILOL-MRXNPFEDSA-N 1 1 300.789 3.825 20 30 DHEDMO Cc1cc([C@H]2CCC[N@H+]2CC#Cc2ccc(Cl)cc2)on1 ZINC000426397228 338030517 /nfs/dbraw/zinc/03/05/17/338030517.db2.gz RRQQWVHLGMILOL-MRXNPFEDSA-N 1 1 300.789 3.825 20 30 DHEDMO CC[C@@H]1CCCCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000426456691 338032597 /nfs/dbraw/zinc/03/25/97/338032597.db2.gz DRJKHRFYISMEHR-CQSZACIVSA-N 1 1 319.474 3.830 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2C[C@@H](C)CCC[C@@H]2C)c(C#N)c1C ZINC000426471870 338033259 /nfs/dbraw/zinc/03/32/59/338033259.db2.gz XKSQWHCLZBTLQM-RYUDHWBXSA-N 1 1 319.474 3.686 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000428404768 338050438 /nfs/dbraw/zinc/05/04/38/338050438.db2.gz WDKFLHLOBHVYCX-GOSISDBHSA-N 1 1 301.430 3.642 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]32)cc1OCCCC#N ZINC000428455164 338052750 /nfs/dbraw/zinc/05/27/50/338052750.db2.gz JEKYICSBBKMHSM-IAGOWNOFSA-N 1 1 314.429 3.752 20 30 DHEDMO C=CCN(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000428789249 338061022 /nfs/dbraw/zinc/06/10/22/338061022.db2.gz YGJNDUBRXOODBO-NRFANRHFSA-N 1 1 321.468 3.734 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000428960021 338066665 /nfs/dbraw/zinc/06/66/65/338066665.db2.gz ZNSGCCYHEDUKGU-ATZDWAIDSA-N 1 1 316.420 3.603 20 30 DHEDMO Cc1ccc(C)c(C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)c1 ZINC000429286669 338076371 /nfs/dbraw/zinc/07/63/71/338076371.db2.gz KBXUKGGKLIJAQX-UHFFFAOYSA-N 1 1 321.424 3.636 20 30 DHEDMO N#CCC1(C[NH2+]Cc2csc(COc3ccccc3)n2)CC1 ZINC000430023425 338093720 /nfs/dbraw/zinc/09/37/20/338093720.db2.gz OEEJYRFTJBRGOH-UHFFFAOYSA-N 1 1 313.426 3.506 20 30 DHEDMO Cc1cc(C)c(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1C ZINC000430176581 338099828 /nfs/dbraw/zinc/09/98/28/338099828.db2.gz IIDOBRTVPCBDJE-LJQANCHMSA-N 1 1 321.424 3.532 20 30 DHEDMO COC(=O)c1ccoc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433014305 338176348 /nfs/dbraw/zinc/17/63/48/338176348.db2.gz ROSZOJCCLYERRN-INIZCTEOSA-N 1 1 312.369 3.591 20 30 DHEDMO Cn1c(C[NH2+][C@@H](CCCC#N)c2ccccc2)nnc1C1CCC1 ZINC000433021615 338176769 /nfs/dbraw/zinc/17/67/69/338176769.db2.gz GWJZGWIEBHIWGY-KRWDZBQOSA-N 1 1 323.444 3.607 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)cc1OCCCC#N ZINC000433050592 338178558 /nfs/dbraw/zinc/17/85/58/338178558.db2.gz CGPOPZYMWUDAAJ-DOTOQJQBSA-N 1 1 316.445 3.998 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433247671 338187712 /nfs/dbraw/zinc/18/77/12/338187712.db2.gz QFHOMFWAVRBRTG-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433247671 338187713 /nfs/dbraw/zinc/18/77/13/338187713.db2.gz QFHOMFWAVRBRTG-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000434532474 338219554 /nfs/dbraw/zinc/21/95/54/338219554.db2.gz YCBQXLDJMFLUKQ-IBGZPJMESA-N 1 1 319.408 3.506 20 30 DHEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C2CC2)cc1 ZINC000434984784 338228853 /nfs/dbraw/zinc/22/88/53/338228853.db2.gz ZQCKJCUDIGZMNI-UHFFFAOYSA-N 1 1 318.380 3.706 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000437548961 338313277 /nfs/dbraw/zinc/31/32/77/338313277.db2.gz QOJIKPQZYFGORZ-LJQANCHMSA-N 1 1 306.409 3.556 20 30 DHEDMO Cc1cccc(C[N@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000437889377 338324335 /nfs/dbraw/zinc/32/43/35/338324335.db2.gz MVUXYIOQZVSZQX-UHFFFAOYSA-N 1 1 318.342 3.892 20 30 DHEDMO Cc1cccc(C[N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000437889377 338324336 /nfs/dbraw/zinc/32/43/36/338324336.db2.gz MVUXYIOQZVSZQX-UHFFFAOYSA-N 1 1 318.342 3.892 20 30 DHEDMO CCC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000438062772 338329515 /nfs/dbraw/zinc/32/95/15/338329515.db2.gz XOCYEHYRKPDBOI-GUDVDZBRSA-N 1 1 315.432 3.703 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000438181248 338335240 /nfs/dbraw/zinc/33/52/40/338335240.db2.gz UNYVFXYCDXQDHG-INIZCTEOSA-N 1 1 311.400 3.749 20 30 DHEDMO Fc1ccc(C#CC[N@@H+](C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000438188327 338335719 /nfs/dbraw/zinc/33/57/19/338335719.db2.gz JBKGZEFQTJEJJI-IBGZPJMESA-N 1 1 301.405 3.601 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000438482018 338345538 /nfs/dbraw/zinc/34/55/38/338345538.db2.gz ZMTFFAUYCGILBH-KXBFYZLASA-N 1 1 306.409 3.945 20 30 DHEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2Cl)C12CCC2 ZINC000439430206 338369155 /nfs/dbraw/zinc/36/91/55/338369155.db2.gz KWPZGAAEPOSTLO-IAGOWNOFSA-N 1 1 318.848 3.991 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c(Cl)c1 ZINC000439448883 338369784 /nfs/dbraw/zinc/36/97/84/338369784.db2.gz GXSNLLAWYVRMQQ-QGZVFWFLSA-N 1 1 304.821 3.603 20 30 DHEDMO CC[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000439483802 338371339 /nfs/dbraw/zinc/37/13/39/338371339.db2.gz BBDPMINYEUSUQV-MRXNPFEDSA-N 1 1 311.347 3.558 20 30 DHEDMO C=CCOCCC[N@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439484548 338371376 /nfs/dbraw/zinc/37/13/76/338371376.db2.gz FQLMHBVUTSDOHF-UHFFFAOYSA-N 1 1 302.393 3.648 20 30 DHEDMO C=CCOCCC[N@@H+]1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000439484548 338371377 /nfs/dbraw/zinc/37/13/77/338371377.db2.gz FQLMHBVUTSDOHF-UHFFFAOYSA-N 1 1 302.393 3.648 20 30 DHEDMO N#CCC[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccccc1 ZINC000440647244 338394187 /nfs/dbraw/zinc/39/41/87/338394187.db2.gz NYYKBVJPACHAIZ-CYBMUJFWSA-N 1 1 308.307 3.563 20 30 DHEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1nc(C)cs1 ZINC000440823421 338398326 /nfs/dbraw/zinc/39/83/26/338398326.db2.gz GDHRTICZFUDLCH-CQSZACIVSA-N 1 1 301.415 3.573 20 30 DHEDMO N#CC1(C[NH+]2CCC(Oc3ccccc3Cl)CC2)CCC1 ZINC000450610223 338693657 /nfs/dbraw/zinc/69/36/57/338693657.db2.gz FUWWUAIPANQEQX-UHFFFAOYSA-N 1 1 304.821 3.877 20 30 DHEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(OCC2CC2)c(F)c1 ZINC000450680710 338698562 /nfs/dbraw/zinc/69/85/62/338698562.db2.gz LHVROJRMIZCCQM-CYBMUJFWSA-N 1 1 302.393 3.959 20 30 DHEDMO N#CC1(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CCC1 ZINC000450983066 338715736 /nfs/dbraw/zinc/71/57/36/338715736.db2.gz OPKVHRPTDGGINR-CQSZACIVSA-N 1 1 313.228 3.700 20 30 DHEDMO C=C(C)CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000458531331 339000370 /nfs/dbraw/zinc/00/03/70/339000370.db2.gz MTQKZLIKMZRBAU-CQSZACIVSA-N 1 1 312.417 3.507 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cnc(C2CC2)nc1 ZINC000459330399 339022077 /nfs/dbraw/zinc/02/20/77/339022077.db2.gz RUPLRIRAGRFJMU-UHFFFAOYSA-N 1 1 309.413 3.551 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cnc(C2CC2)nc1 ZINC000459330399 339022078 /nfs/dbraw/zinc/02/20/78/339022078.db2.gz RUPLRIRAGRFJMU-UHFFFAOYSA-N 1 1 309.413 3.551 20 30 DHEDMO CCS[C@H]1CC[C@H]([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459357538 339024099 /nfs/dbraw/zinc/02/40/99/339024099.db2.gz ORHYOUYVFVEFNC-KBPBESRZSA-N 1 1 319.430 3.572 20 30 DHEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459357538 339024100 /nfs/dbraw/zinc/02/41/00/339024100.db2.gz ORHYOUYVFVEFNC-KBPBESRZSA-N 1 1 319.430 3.572 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)CCO2)c1 ZINC000459357918 339024203 /nfs/dbraw/zinc/02/42/03/339024203.db2.gz MLCJIVMQDUYXKK-PCCBWWKXSA-N 1 1 318.420 3.735 20 30 DHEDMO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459438106 339029274 /nfs/dbraw/zinc/02/92/74/339029274.db2.gz CMPPDZBWLWAMLP-GFCCVEGCSA-N 1 1 315.295 3.533 20 30 DHEDMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000459471299 339031162 /nfs/dbraw/zinc/03/11/62/339031162.db2.gz SWCFOTBKFSQRTA-HKUYNNGSSA-N 1 1 319.408 3.721 20 30 DHEDMO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)[C@H]1Sc1ccccc1 ZINC000459472141 339031227 /nfs/dbraw/zinc/03/12/27/339031227.db2.gz ABHRNTHFPKTPMY-PLLDYVMSSA-N 1 1 316.470 3.607 20 30 DHEDMO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1OC ZINC000459661947 339041360 /nfs/dbraw/zinc/04/13/60/339041360.db2.gz YUVKKIFBGFEFOK-AWEZNQCLSA-N 1 1 310.397 3.735 20 30 DHEDMO Cc1nc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)c(Cl)cc1C#N ZINC000461974164 339070208 /nfs/dbraw/zinc/07/02/08/339070208.db2.gz SHHKGQYPOXEXQR-AWEZNQCLSA-N 1 1 320.868 3.695 20 30 DHEDMO C=CCN(Cc1ccccc1)C(=O)N[C@H](C)C[N@H+](C)CCCC ZINC000462012784 339070812 /nfs/dbraw/zinc/07/08/12/339070812.db2.gz VBEDYYFJIYNNET-QGZVFWFLSA-N 1 1 317.477 3.505 20 30 DHEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCc1ccncc1 ZINC000462309677 339075456 /nfs/dbraw/zinc/07/54/56/339075456.db2.gz CZLSIEDZDBRZDU-VQTJNVASSA-N 1 1 305.425 3.786 20 30 DHEDMO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)ccc1C#N ZINC000463201983 339109153 /nfs/dbraw/zinc/10/91/53/339109153.db2.gz XARKGJKYGMRSMO-VAMGGRTRSA-N 1 1 312.457 3.772 20 30 DHEDMO C=CCCC[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000464582638 339146061 /nfs/dbraw/zinc/14/60/61/339146061.db2.gz WOKITGJKGMASIO-UHFFFAOYSA-N 1 1 303.446 3.903 20 30 DHEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000464731354 339150249 /nfs/dbraw/zinc/15/02/49/339150249.db2.gz FGJHQBCNTVFNAP-MAUKXSAKSA-N 1 1 313.445 3.787 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOc1ccccc1 ZINC000464837524 339156404 /nfs/dbraw/zinc/15/64/04/339156404.db2.gz XSBMITXEJWRIAO-WOJBJXKFSA-N 1 1 306.409 3.837 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOc1ccccc1 ZINC000464837524 339156405 /nfs/dbraw/zinc/15/64/05/339156405.db2.gz XSBMITXEJWRIAO-WOJBJXKFSA-N 1 1 306.409 3.837 20 30 DHEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000467210163 339228397 /nfs/dbraw/zinc/22/83/97/339228397.db2.gz CDWSQHDJCDVKAO-SWLSCSKDSA-N 1 1 319.836 3.661 20 30 DHEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000467210162 339228400 /nfs/dbraw/zinc/22/84/00/339228400.db2.gz CDWSQHDJCDVKAO-IUODEOHRSA-N 1 1 319.836 3.661 20 30 DHEDMO C=CCC[N@H+](C)CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000467294852 339230191 /nfs/dbraw/zinc/23/01/91/339230191.db2.gz DZZQVFSLXWERTE-UHFFFAOYSA-N 1 1 308.425 3.728 20 30 DHEDMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1ccc(F)c(C#N)c1 ZINC000468271523 339258426 /nfs/dbraw/zinc/25/84/26/339258426.db2.gz DKONRWWSDRAJHT-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000468880018 339273428 /nfs/dbraw/zinc/27/34/28/339273428.db2.gz HFROFAWVJGUPDJ-LJQANCHMSA-N 1 1 310.372 3.741 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000468880018 339273429 /nfs/dbraw/zinc/27/34/29/339273429.db2.gz HFROFAWVJGUPDJ-LJQANCHMSA-N 1 1 310.372 3.741 20 30 DHEDMO COCC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)c1ccccc1 ZINC000469026519 339278007 /nfs/dbraw/zinc/27/80/07/339278007.db2.gz PFWGDEZNXBQPIL-OAHLLOKOSA-N 1 1 312.388 3.907 20 30 DHEDMO COCC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)c1ccccc1 ZINC000469026519 339278008 /nfs/dbraw/zinc/27/80/08/339278008.db2.gz PFWGDEZNXBQPIL-OAHLLOKOSA-N 1 1 312.388 3.907 20 30 DHEDMO C=CCOCCC[N@H+](CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000470778196 339327573 /nfs/dbraw/zinc/32/75/73/339327573.db2.gz CNNXEEGJUROPKN-UYAOXDASSA-N 1 1 316.489 3.737 20 30 DHEDMO C=CCOCCCN(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000470778196 339327574 /nfs/dbraw/zinc/32/75/74/339327574.db2.gz CNNXEEGJUROPKN-UYAOXDASSA-N 1 1 316.489 3.737 20 30 DHEDMO C=CCOCCCN(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000470778196 339327575 /nfs/dbraw/zinc/32/75/75/339327575.db2.gz CNNXEEGJUROPKN-UYAOXDASSA-N 1 1 316.489 3.737 20 30 DHEDMO C=CCOCCC[N@H+](CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000470778195 339327643 /nfs/dbraw/zinc/32/76/43/339327643.db2.gz CNNXEEGJUROPKN-QUCCMNQESA-N 1 1 316.489 3.737 20 30 DHEDMO C=CCOCCCN(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000470778195 339327644 /nfs/dbraw/zinc/32/76/44/339327644.db2.gz CNNXEEGJUROPKN-QUCCMNQESA-N 1 1 316.489 3.737 20 30 DHEDMO C=CCOCCCN(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000470778195 339327645 /nfs/dbraw/zinc/32/76/45/339327645.db2.gz CNNXEEGJUROPKN-QUCCMNQESA-N 1 1 316.489 3.737 20 30 DHEDMO C=CCOCCC[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000470779343 339327767 /nfs/dbraw/zinc/32/77/67/339327767.db2.gz LRVKASVUCBRGOK-UHFFFAOYSA-N 1 1 304.821 3.772 20 30 DHEDMO C=CCOCCC[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000470779343 339327768 /nfs/dbraw/zinc/32/77/68/339327768.db2.gz LRVKASVUCBRGOK-UHFFFAOYSA-N 1 1 304.821 3.772 20 30 DHEDMO C=C(C)C[N@H+](CC(=O)NC1CCCCC1)Cc1ccccc1 ZINC000470906132 339330845 /nfs/dbraw/zinc/33/08/45/339330845.db2.gz LIFAHHKFLSCJRJ-UHFFFAOYSA-N 1 1 300.446 3.514 20 30 DHEDMO C=C(C)C[N@@H+](CC(=O)NC1CCCCC1)Cc1ccccc1 ZINC000470906132 339330846 /nfs/dbraw/zinc/33/08/46/339330846.db2.gz LIFAHHKFLSCJRJ-UHFFFAOYSA-N 1 1 300.446 3.514 20 30 DHEDMO CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472241087 339367187 /nfs/dbraw/zinc/36/71/87/339367187.db2.gz PJZMUJGCTDPFFM-CVEARBPZSA-N 1 1 323.440 3.858 20 30 DHEDMO C=CCC[C@H](O)C[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000472438842 339371752 /nfs/dbraw/zinc/37/17/52/339371752.db2.gz IUTPHBHEHYYLFH-ZDUSSCGKSA-N 1 1 300.229 3.679 20 30 DHEDMO C=CCC[C@H](O)C[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000472438842 339371753 /nfs/dbraw/zinc/37/17/53/339371753.db2.gz IUTPHBHEHYYLFH-ZDUSSCGKSA-N 1 1 300.229 3.679 20 30 DHEDMO C=CCOc1ccccc1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000473119946 339381323 /nfs/dbraw/zinc/38/13/23/339381323.db2.gz RJJFQQREJFCION-OAQYLSRUSA-N 1 1 321.420 3.883 20 30 DHEDMO C=C(C)[C@@H](Nc1[nH+]cnc2[nH]ccc21)c1ccc(F)c(F)c1 ZINC000475730875 339460767 /nfs/dbraw/zinc/46/07/67/339460767.db2.gz SNOJTEJLISSLKR-CQSZACIVSA-N 1 1 300.312 3.965 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000498806355 340023634 /nfs/dbraw/zinc/02/36/34/340023634.db2.gz PEBQJNLTAWYVJX-LJQANCHMSA-N 1 1 324.399 3.783 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000501199530 340076136 /nfs/dbraw/zinc/07/61/36/340076136.db2.gz AQXDLNWAUOMCEL-HNAYVOBHSA-N 1 1 306.409 3.945 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000501211018 340076229 /nfs/dbraw/zinc/07/62/29/340076229.db2.gz VHGRRZDWMXQKTR-GOSISDBHSA-N 1 1 306.409 3.631 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1OC ZINC000501256123 340077414 /nfs/dbraw/zinc/07/74/14/340077414.db2.gz DMWSYOFYZVNHMH-UHFFFAOYSA-N 1 1 322.408 3.764 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1OC ZINC000501256123 340077415 /nfs/dbraw/zinc/07/74/15/340077415.db2.gz DMWSYOFYZVNHMH-UHFFFAOYSA-N 1 1 322.408 3.764 20 30 DHEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000501779635 340088433 /nfs/dbraw/zinc/08/84/33/340088433.db2.gz XKQDMINVVCEUKB-PMPSAXMXSA-N 1 1 320.502 3.629 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](CCOc3ccccc3)CC2)cc1 ZINC000502527673 340106917 /nfs/dbraw/zinc/10/69/17/340106917.db2.gz HGXRLYQHKJFBSG-UHFFFAOYSA-N 1 1 304.393 3.726 20 30 DHEDMO C=CCCC[C@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000503268801 340124417 /nfs/dbraw/zinc/12/44/17/340124417.db2.gz KVEVGYARZPZWIV-IRXDYDNUSA-N 1 1 302.462 3.883 20 30 DHEDMO C[N@H+](CCOc1cccc(C#N)c1)Cc1ccc(F)cc1Cl ZINC000503615001 340132451 /nfs/dbraw/zinc/13/24/51/340132451.db2.gz HBXCXDKKHMJYIZ-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc(F)cc1Cl ZINC000503615001 340132452 /nfs/dbraw/zinc/13/24/52/340132452.db2.gz HBXCXDKKHMJYIZ-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000503692303 340133656 /nfs/dbraw/zinc/13/36/56/340133656.db2.gz LHZLZMMRQFUDJD-INIZCTEOSA-N 1 1 310.372 3.566 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000505034992 340159445 /nfs/dbraw/zinc/15/94/45/340159445.db2.gz JGRUPIMTVBGAJY-MRXNPFEDSA-N 1 1 315.461 3.659 20 30 DHEDMO C=CCOc1ccc(C[N@H+](CCO)C2CCCC2)cc1Cl ZINC000505271852 340165270 /nfs/dbraw/zinc/16/52/70/340165270.db2.gz IZHKSSNQRNYYLZ-UHFFFAOYSA-N 1 1 309.837 3.642 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)Cc2cccc(F)c2)cc(OC)c1O ZINC000505564911 340171211 /nfs/dbraw/zinc/17/12/11/340171211.db2.gz QTSHIDMKMAAXEE-UHFFFAOYSA-N 1 1 315.388 3.900 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505861566 340179912 /nfs/dbraw/zinc/17/99/12/340179912.db2.gz DUUWWAABOAMVDK-OAHLLOKOSA-N 1 1 310.372 3.598 20 30 DHEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505861566 340179913 /nfs/dbraw/zinc/17/99/13/340179913.db2.gz DUUWWAABOAMVDK-OAHLLOKOSA-N 1 1 310.372 3.598 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)cc1 ZINC000506064354 340184727 /nfs/dbraw/zinc/18/47/27/340184727.db2.gz RTUZGLSNJGVYHJ-UHFFFAOYSA-N 1 1 311.381 3.612 20 30 DHEDMO C[N@@H+](CCSc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000506135152 340186496 /nfs/dbraw/zinc/18/64/96/340186496.db2.gz KWELLUOWCYRPEB-UHFFFAOYSA-N 1 1 300.402 3.921 20 30 DHEDMO C[N@H+](CCOc1ccc(Cl)cc1)Cc1ccc(C#N)cc1F ZINC000506768563 340201218 /nfs/dbraw/zinc/20/12/18/340201218.db2.gz VEOZIHGCOXHXNW-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1ccc(C#N)cc1F ZINC000506768563 340201219 /nfs/dbraw/zinc/20/12/19/340201219.db2.gz VEOZIHGCOXHXNW-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C=CCOc1ccc(CN2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000506862634 340202893 /nfs/dbraw/zinc/20/28/93/340202893.db2.gz SLURXSYYWZCQGX-UHFFFAOYSA-N 1 1 322.880 3.678 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@@H]2C(C)C)cc1OCCCC#N ZINC000507140056 340209298 /nfs/dbraw/zinc/20/92/98/340209298.db2.gz DCMCTBQAADGPGX-QGZVFWFLSA-N 1 1 316.445 3.998 20 30 DHEDMO C=CCOc1cccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000507141501 340209406 /nfs/dbraw/zinc/20/94/06/340209406.db2.gz GKPVKMAZZBDZQC-UHFFFAOYSA-N 1 1 312.369 3.792 20 30 DHEDMO C=CCOc1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000507141501 340209407 /nfs/dbraw/zinc/20/94/07/340209407.db2.gz GKPVKMAZZBDZQC-UHFFFAOYSA-N 1 1 312.369 3.792 20 30 DHEDMO C[N@H+](Cc1conc1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000507187533 340212047 /nfs/dbraw/zinc/21/20/47/340212047.db2.gz CIGSNVBJDIJAAA-UHFFFAOYSA-N 1 1 317.392 3.769 20 30 DHEDMO C[N@@H+](Cc1conc1Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000507187533 340212048 /nfs/dbraw/zinc/21/20/48/340212048.db2.gz CIGSNVBJDIJAAA-UHFFFAOYSA-N 1 1 317.392 3.769 20 30 DHEDMO COc1c(C)cc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc1C ZINC000507615436 340226292 /nfs/dbraw/zinc/22/62/92/340226292.db2.gz HGDJWMDRWIFUJT-UHFFFAOYSA-N 1 1 312.388 3.955 20 30 DHEDMO COc1c(C)cc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1C ZINC000507615436 340226293 /nfs/dbraw/zinc/22/62/93/340226293.db2.gz HGDJWMDRWIFUJT-UHFFFAOYSA-N 1 1 312.388 3.955 20 30 DHEDMO CC[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CCO1 ZINC000507786312 340231301 /nfs/dbraw/zinc/23/13/01/340231301.db2.gz YLJZDPAHMMPSBZ-AFYVEPGGSA-N 1 1 312.457 3.963 20 30 DHEDMO C=C(C)CC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000509261024 340264811 /nfs/dbraw/zinc/26/48/11/340264811.db2.gz ZWMKSLRJEMDKAM-GJZGRUSLSA-N 1 1 300.229 3.850 20 30 DHEDMO CCN(C[C@H](C)C#N)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000509776174 340278815 /nfs/dbraw/zinc/27/88/15/340278815.db2.gz XKLLMKBGUZCOAS-QGZVFWFLSA-N 1 1 301.478 3.626 20 30 DHEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000510167579 340291339 /nfs/dbraw/zinc/29/13/39/340291339.db2.gz FENRUFCPDGSVPR-KDURUIRLSA-N 1 1 306.409 3.834 20 30 DHEDMO CCC[N@H+](Cc1cnc2ccc(C#N)cn12)CC1CCCCC1 ZINC000510206967 340292521 /nfs/dbraw/zinc/29/25/21/340292521.db2.gz KCXBDVDHCPYFNH-UHFFFAOYSA-N 1 1 310.445 3.998 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510625515 340304251 /nfs/dbraw/zinc/30/42/51/340304251.db2.gz WEYRYSAUXDUYIN-IBGZPJMESA-N 1 1 314.473 3.556 20 30 DHEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510872419 340313567 /nfs/dbraw/zinc/31/35/67/340313567.db2.gz NCSPBWFSHGMJJZ-KBPBESRZSA-N 1 1 320.399 3.512 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)C2Cc3ccccc3C2)cc(OC)c1O ZINC000511649801 340333994 /nfs/dbraw/zinc/33/39/94/340333994.db2.gz UCKUUUSSMSSKTP-UHFFFAOYSA-N 1 1 323.436 3.729 20 30 DHEDMO N#Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000511763955 340337583 /nfs/dbraw/zinc/33/75/83/340337583.db2.gz BDHLCAHWHWNFNB-QHAWAJNXSA-N 1 1 318.420 3.563 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)ccc1OC ZINC000511958695 340343725 /nfs/dbraw/zinc/34/37/25/340343725.db2.gz VPFBWXFDFFNTTO-OAHLLOKOSA-N 1 1 319.445 3.649 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)ccc1OC ZINC000511958695 340343726 /nfs/dbraw/zinc/34/37/26/340343726.db2.gz VPFBWXFDFFNTTO-OAHLLOKOSA-N 1 1 319.445 3.649 20 30 DHEDMO C=C(C)C[N@@H+](CCCc1ccsc1)Cc1ccc(CO)o1 ZINC000512209826 340352317 /nfs/dbraw/zinc/35/23/17/340352317.db2.gz CPCQPCLDJTWNFF-UHFFFAOYSA-N 1 1 305.443 3.844 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1CCCN(c2ccccc2)C1 ZINC000512411292 340360937 /nfs/dbraw/zinc/36/09/37/340360937.db2.gz XHTIJKWRDNQDDE-LJQANCHMSA-N 1 1 323.415 3.798 20 30 DHEDMO C[N@H+](CCOc1cccc(Cl)c1)Cc1cccc(C#N)c1F ZINC000512449218 340362380 /nfs/dbraw/zinc/36/23/80/340362380.db2.gz DDWMIMSFOGIFSV-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[N@@H+](CCOc1cccc(Cl)c1)Cc1cccc(C#N)c1F ZINC000512449218 340362381 /nfs/dbraw/zinc/36/23/81/340362381.db2.gz DDWMIMSFOGIFSV-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[C@@H](N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(C#N)cc1F ZINC000512632028 340370015 /nfs/dbraw/zinc/37/00/15/340370015.db2.gz VZCTYECIZYMRDR-RHSMWYFYSA-N 1 1 315.436 3.612 20 30 DHEDMO C[C@@H](NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(C#N)cc1F ZINC000512655377 340371269 /nfs/dbraw/zinc/37/12/69/340371269.db2.gz UBDJNWQLEAQKLX-AUUYWEPGSA-N 1 1 311.404 3.651 20 30 DHEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000512657360 340371397 /nfs/dbraw/zinc/37/13/97/340371397.db2.gz BKBPSGDFYNWELC-LJQANCHMSA-N 1 1 306.409 3.774 20 30 DHEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CCN1CCCC(C)(C)C#N ZINC000174819311 340396613 /nfs/dbraw/zinc/39/66/13/340396613.db2.gz NWYOGWKIQBNZSX-KRWDZBQOSA-N 1 1 318.509 3.652 20 30 DHEDMO C[C@H]1CN(CCCC(C)(C)C#N)CC[N@@H+]1CCCC(C)(C)C#N ZINC000174819311 340396614 /nfs/dbraw/zinc/39/66/14/340396614.db2.gz NWYOGWKIQBNZSX-KRWDZBQOSA-N 1 1 318.509 3.652 20 30 DHEDMO C[C@H]1CN(CCCC(C)(C)C#N)CC[N@H+]1CCCC(C)(C)C#N ZINC000174819311 340396615 /nfs/dbraw/zinc/39/66/15/340396615.db2.gz NWYOGWKIQBNZSX-KRWDZBQOSA-N 1 1 318.509 3.652 20 30 DHEDMO CCC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC1CC1 ZINC000174863179 340397890 /nfs/dbraw/zinc/39/78/90/340397890.db2.gz AUHLNSLXDDSAHL-UHFFFAOYSA-N 1 1 323.440 3.860 20 30 DHEDMO CC(C)[N@@H+](CCCCC(C)(C)C#N)CC(=O)N1CCCCCC1 ZINC000513232498 340398720 /nfs/dbraw/zinc/39/87/20/340398720.db2.gz OSDHNYZPHSHFGI-UHFFFAOYSA-N 1 1 321.509 3.819 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000189343782 340534526 /nfs/dbraw/zinc/53/45/26/340534526.db2.gz BFDQYGXFXQSTSK-OAHLLOKOSA-N 1 1 309.388 3.581 20 30 DHEDMO COCC[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccco1 ZINC000541599144 340977177 /nfs/dbraw/zinc/97/71/77/340977177.db2.gz IIFDHMRSBQLZKU-MRXNPFEDSA-N 1 1 303.789 3.652 20 30 DHEDMO N#Cc1ccc2ncc(C[N@@H+](Cc3cccc(F)c3)C3CC3)n2c1 ZINC000130145678 341002268 /nfs/dbraw/zinc/00/22/68/341002268.db2.gz IMUDYNJTLKSUQQ-UHFFFAOYSA-N 1 1 320.371 3.510 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+](Cc3cccc(F)c3)C3CC3)n2c1 ZINC000130145678 341002269 /nfs/dbraw/zinc/00/22/69/341002269.db2.gz IMUDYNJTLKSUQQ-UHFFFAOYSA-N 1 1 320.371 3.510 20 30 DHEDMO N#CCc1ccc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000542280061 341003310 /nfs/dbraw/zinc/00/33/10/341003310.db2.gz JHJCIJDAUBPDNY-OAQYLSRUSA-N 1 1 320.436 3.586 20 30 DHEDMO N#CCc1ccc(C[N@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC000543186739 341035872 /nfs/dbraw/zinc/03/58/72/341035872.db2.gz MOVATSZAZGBRGI-IBGZPJMESA-N 1 1 306.409 3.654 20 30 DHEDMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(CC#N)CC1 ZINC000543810430 341060029 /nfs/dbraw/zinc/06/00/29/341060029.db2.gz WJOZSCLUHFBYFX-ZDUSSCGKSA-N 1 1 319.836 3.601 20 30 DHEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)cc1 ZINC000544060000 341068622 /nfs/dbraw/zinc/06/86/22/341068622.db2.gz OMJZPVFHWYLWHG-LJQANCHMSA-N 1 1 306.409 3.751 20 30 DHEDMO CCC[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000544490872 341084232 /nfs/dbraw/zinc/08/42/32/341084232.db2.gz DESAKPVVIHDRLG-AWEZNQCLSA-N 1 1 319.474 3.830 20 30 DHEDMO CCC[C@H]1CCCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000544490872 341084233 /nfs/dbraw/zinc/08/42/33/341084233.db2.gz DESAKPVVIHDRLG-AWEZNQCLSA-N 1 1 319.474 3.830 20 30 DHEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000073618353 341119255 /nfs/dbraw/zinc/11/92/55/341119255.db2.gz HLKXUKNLBLKAFF-IUODEOHRSA-N 1 1 319.836 3.661 20 30 DHEDMO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc(C#N)c2)[C@H](C)CO1 ZINC000075784566 341182809 /nfs/dbraw/zinc/18/28/09/341182809.db2.gz OHSIUYFVAIJSPX-OXQOHEQNSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@H](C)CO1 ZINC000075784566 341182810 /nfs/dbraw/zinc/18/28/10/341182810.db2.gz OHSIUYFVAIJSPX-OXQOHEQNSA-N 1 1 306.409 3.829 20 30 DHEDMO COc1ccc(C[C@@H](C)C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1F ZINC000547017661 341191753 /nfs/dbraw/zinc/19/17/53/341191753.db2.gz VFZXEYUPVKZLCG-KGLIPLIRSA-N 1 1 304.409 3.637 20 30 DHEDMO CC(C)C[N@@H+](CCC(=O)Nc1sccc1C#N)CC(C)(C)C ZINC000134448201 341215456 /nfs/dbraw/zinc/21/54/56/341215456.db2.gz YULLYERDZFCMSC-UHFFFAOYSA-N 1 1 321.490 3.952 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000081014435 341277952 /nfs/dbraw/zinc/27/79/52/341277952.db2.gz UHUIMODJNWMJKM-HXUWFJFHSA-N 1 1 305.425 3.659 20 30 DHEDMO C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000245398974 341291137 /nfs/dbraw/zinc/29/11/37/341291137.db2.gz VDVKLTVBVCTKNW-FZKQIMNGSA-N 1 1 314.816 3.938 20 30 DHEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)Cc1ccc(F)cc1 ZINC000549770392 341302809 /nfs/dbraw/zinc/30/28/09/341302809.db2.gz BNWHTUKPJAOKQD-GOSISDBHSA-N 1 1 317.379 3.556 20 30 DHEDMO CCC[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000549929480 341307051 /nfs/dbraw/zinc/30/70/51/341307051.db2.gz COICWOYMCSAAHM-HSALFYBXSA-N 1 1 311.473 3.665 20 30 DHEDMO CCC[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000549929480 341307052 /nfs/dbraw/zinc/30/70/52/341307052.db2.gz COICWOYMCSAAHM-HSALFYBXSA-N 1 1 311.473 3.665 20 30 DHEDMO CCC[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000549929480 341307053 /nfs/dbraw/zinc/30/70/53/341307053.db2.gz COICWOYMCSAAHM-HSALFYBXSA-N 1 1 311.473 3.665 20 30 DHEDMO N#Cc1cc(C[NH+]2CCC(CC(F)(F)F)CC2)ccc1F ZINC000551707826 341349704 /nfs/dbraw/zinc/34/97/04/341349704.db2.gz WBRDUOFBJIADGR-UHFFFAOYSA-N 1 1 300.299 3.862 20 30 DHEDMO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc(C#N)c2)[C@@H](C)CO1 ZINC000247531990 341366845 /nfs/dbraw/zinc/36/68/45/341366845.db2.gz OHSIUYFVAIJSPX-JXFKEZNVSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@@H](C)CO1 ZINC000247531990 341366846 /nfs/dbraw/zinc/36/68/46/341366846.db2.gz OHSIUYFVAIJSPX-JXFKEZNVSA-N 1 1 306.409 3.829 20 30 DHEDMO CC[N@@H+](CCC1CCN(C(=O)[C@](C)(C#N)CC)CC1)CC(C)C ZINC000552395013 341391123 /nfs/dbraw/zinc/39/11/23/341391123.db2.gz RWZJUWGXOMXDFT-IBGZPJMESA-N 1 1 321.509 3.533 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000249091972 341393647 /nfs/dbraw/zinc/39/36/47/341393647.db2.gz DKJJYWVGEZELEU-YWZLYKJASA-N 1 1 304.393 3.751 20 30 DHEDMO CCC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1F ZINC000576049796 341822721 /nfs/dbraw/zinc/82/27/21/341822721.db2.gz MFBIWBZVYDFLQI-KRWDZBQOSA-N 1 1 301.340 3.862 20 30 DHEDMO CCOCc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1OC ZINC000180052973 520184007 /nfs/dbraw/zinc/18/40/07/520184007.db2.gz GEDICWYWIYJNSX-UHFFFAOYSA-N 1 1 324.424 3.735 20 30 DHEDMO CC[C@H](C)[C@@H](C)[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000106439535 521806267 /nfs/dbraw/zinc/80/62/67/521806267.db2.gz RTEXLBNLMWKPBC-LSDHHAIUSA-N 1 1 313.445 3.786 20 30 DHEDMO COC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000265784498 522475920 /nfs/dbraw/zinc/47/59/20/522475920.db2.gz LDNCQURWAFXELS-QGZVFWFLSA-N 1 1 306.409 3.694 20 30 DHEDMO COCC[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)Cc1ccc(C#N)cc1 ZINC000339317262 523750779 /nfs/dbraw/zinc/75/07/79/523750779.db2.gz MKNAJAGOXONGNV-BEFAXECRSA-N 1 1 324.424 3.923 20 30 DHEDMO COCC[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)Cc1ccc(C#N)cc1 ZINC000339317262 523750786 /nfs/dbraw/zinc/75/07/86/523750786.db2.gz MKNAJAGOXONGNV-BEFAXECRSA-N 1 1 324.424 3.923 20 30 DHEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000246167088 525514128 /nfs/dbraw/zinc/51/41/28/525514128.db2.gz OZDHEXDWYWLJMK-QGPMSJSTSA-N 1 1 311.429 3.540 20 30 DHEDMO C[N@H+]1CC[C@@H](Nc2nc(Cl)c(C#N)s2)[C@H]1c1ccccc1 ZINC000286562467 536459732 /nfs/dbraw/zinc/45/97/32/536459732.db2.gz QYYSLAQKPGJORX-DGCLKSJQSA-N 1 1 318.833 3.525 20 30 DHEDMO C[N@H+]1CCC[C@H]1CCSc1nc(C(F)(F)F)ccc1C#N ZINC000275015258 536390241 /nfs/dbraw/zinc/39/02/41/536390241.db2.gz ODOBXVDLXZGJCO-NSHDSACASA-N 1 1 315.364 3.548 20 30 DHEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000931189813 1032065162 /nfs/dbraw/zinc/06/51/62/1032065162.db2.gz IPZYXMARZQSMMD-HOTGVXAUSA-N 1 1 320.502 3.679 20 30 DHEDMO CC1(C)CN(c2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000383103368 1013163877 /nfs/dbraw/zinc/16/38/77/1013163877.db2.gz DPTUPHDJRAYVTP-UHFFFAOYSA-N 1 1 323.415 3.798 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)N1c2ccc(C)cc2[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000843740198 1013207025 /nfs/dbraw/zinc/20/70/25/1013207025.db2.gz CHBMIJXONSLFMR-HHXXYDBFSA-N 1 1 312.457 3.732 20 30 DHEDMO N#Cc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cs1 ZINC000894408079 1013335973 /nfs/dbraw/zinc/33/59/73/1013335973.db2.gz XKIWXJFAPHZVBU-GUDVDZBRSA-N 1 1 324.449 3.624 20 30 DHEDMO C#CC[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)[C@H]1CCc2ccccc21 ZINC001167178835 1013362251 /nfs/dbraw/zinc/36/22/51/1013362251.db2.gz MEVJBKZBROBVQP-NBMRYCAZSA-N 1 1 301.380 3.900 20 30 DHEDMO C=CC[C@@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)c1ccncc1 ZINC000925073792 1013384418 /nfs/dbraw/zinc/38/44/18/1013384418.db2.gz DSMBWNVJHSIHNU-LJQANCHMSA-N 1 1 301.478 3.799 20 30 DHEDMO N#Cc1cc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)cs1 ZINC000894539803 1013410201 /nfs/dbraw/zinc/41/02/01/1013410201.db2.gz ZRHPOLIRLQWEBB-SFHVURJKSA-N 1 1 310.422 3.589 20 30 DHEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000093889921 1013569629 /nfs/dbraw/zinc/56/96/29/1013569629.db2.gz KXGDNJUKVCBWMT-QKVFXAPYSA-N 1 1 318.467 3.550 20 30 DHEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093889921 1013569657 /nfs/dbraw/zinc/56/96/57/1013569657.db2.gz KXGDNJUKVCBWMT-QKVFXAPYSA-N 1 1 318.467 3.550 20 30 DHEDMO N#Cc1c(C(F)F)cccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000519706906 1013596609 /nfs/dbraw/zinc/59/66/09/1013596609.db2.gz MVZIPMBAPJJHAD-NSHDSACASA-N 1 1 302.328 3.603 20 30 DHEDMO CC(C)C[N@@H+](CCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000519908639 1013621699 /nfs/dbraw/zinc/62/16/99/1013621699.db2.gz IOVVPTNHCAMXTM-UHFFFAOYSA-N 1 1 316.445 3.748 20 30 DHEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000520174784 1013668814 /nfs/dbraw/zinc/66/88/14/1013668814.db2.gz ZVPMCQCBJJEDHN-MJGOQNOKSA-N 1 1 315.461 3.514 20 30 DHEDMO COc1cc(F)c([C@H](C)[NH2+]Cc2ccc(C#N)s2)cc1OC ZINC000176969848 1013691634 /nfs/dbraw/zinc/69/16/34/1013691634.db2.gz HCHHDZYZIPUVLX-JTQLQIEISA-N 1 1 320.389 3.627 20 30 DHEDMO Cc1ccnc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC000343509763 1013724070 /nfs/dbraw/zinc/72/40/70/1013724070.db2.gz LAJAUFFXKZDYHI-LPHOPBHVSA-N 1 1 320.440 3.584 20 30 DHEDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1coc(C2CCCC2)n1 ZINC000328715947 1013793719 /nfs/dbraw/zinc/79/37/19/1013793719.db2.gz DPJNEFMMBCGQFS-AWEZNQCLSA-N 1 1 317.433 3.654 20 30 DHEDMO CC(C)c1nnc([C@@H]2CCCC[N@@H+]2CCCC(C)(C)C#N)[nH]1 ZINC000330847681 1013844790 /nfs/dbraw/zinc/84/47/90/1013844790.db2.gz LYIRARIBFCONAT-AWEZNQCLSA-N 1 1 303.454 3.785 20 30 DHEDMO CC(C)c1nnc([C@@H]2CCCC[N@H+]2CCCC(C)(C)C#N)[nH]1 ZINC000330847681 1013844799 /nfs/dbraw/zinc/84/47/99/1013844799.db2.gz LYIRARIBFCONAT-AWEZNQCLSA-N 1 1 303.454 3.785 20 30 DHEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cc(C)cc(OC)c1C ZINC000331349084 1013876283 /nfs/dbraw/zinc/87/62/83/1013876283.db2.gz XOTBKSGJDXAELJ-HNNXBMFYSA-N 1 1 319.449 3.512 20 30 DHEDMO N#Cc1csc(C[NH2+][C@H](c2ccccc2)c2cccnc2)c1 ZINC000177695936 1013995656 /nfs/dbraw/zinc/99/56/56/1013995656.db2.gz CASIAKWCUZUPSQ-GOSISDBHSA-N 1 1 305.406 3.894 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)CCCc1ccccc1 ZINC000536084206 1014007159 /nfs/dbraw/zinc/00/71/59/1014007159.db2.gz ZHXHKKSGXYFHAU-UHFFFAOYSA-N 1 1 324.424 3.510 20 30 DHEDMO CCC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000580136900 1014041080 /nfs/dbraw/zinc/04/10/80/1014041080.db2.gz SSJFYFONXOEVQD-KURKYZTESA-N 1 1 316.420 3.723 20 30 DHEDMO COc1ccccc1[C@H]1CCCC[N@H+]1CCCSCC#N ZINC000610409774 1014076073 /nfs/dbraw/zinc/07/60/73/1014076073.db2.gz DWNBEKLBULGYRP-MRXNPFEDSA-N 1 1 304.459 3.869 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2sc(C)nc2C)cc1C#N ZINC000135060368 1014173860 /nfs/dbraw/zinc/17/38/60/1014173860.db2.gz XQFJSFFCZCUDOG-GFCCVEGCSA-N 1 1 315.442 3.833 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000441467597 1014181328 /nfs/dbraw/zinc/18/13/28/1014181328.db2.gz FPIYFOUBTYOFAW-DJIMGWMZSA-N 1 1 314.429 3.599 20 30 DHEDMO C=CCCc1ccccc1NC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000931289705 1032090640 /nfs/dbraw/zinc/09/06/40/1032090640.db2.gz BPYZDTYQIPUKIT-MRXNPFEDSA-N 1 1 315.461 3.659 20 30 DHEDMO Cc1nc(-c2ccc(C[NH2+]C[C@H](C#N)CCC#N)s2)cs1 ZINC000567068667 1014327573 /nfs/dbraw/zinc/32/75/73/1014327573.db2.gz YZDOCFUMJXMDKG-LBPRGKRZSA-N 1 1 316.455 3.713 20 30 DHEDMO C=CCOCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000580777037 1014344394 /nfs/dbraw/zinc/34/43/94/1014344394.db2.gz HOLIULDHTOOZLR-UHFFFAOYSA-N 1 1 324.399 3.902 20 30 DHEDMO C=CCC[C@@H](C(=O)NCC[N@@H+]1CC=C(C)CC1)c1ccccc1 ZINC000427952569 1014557952 /nfs/dbraw/zinc/55/79/52/1014557952.db2.gz UZUJDVXWBKTMJB-LJQANCHMSA-N 1 1 312.457 3.505 20 30 DHEDMO C[N@@H+](CCCNc1nc(Cl)c(C#N)s1)C1CCCCC1 ZINC000234282721 1014581085 /nfs/dbraw/zinc/58/10/85/1014581085.db2.gz ZIEVYVKINRFZJL-UHFFFAOYSA-N 1 1 312.870 3.735 20 30 DHEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccccc1C ZINC000521068923 1014637898 /nfs/dbraw/zinc/63/78/98/1014637898.db2.gz RBAVNAGQMFVUME-UHFFFAOYSA-N 1 1 308.425 3.664 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccccc1C ZINC000521068923 1014637901 /nfs/dbraw/zinc/63/79/01/1014637901.db2.gz RBAVNAGQMFVUME-UHFFFAOYSA-N 1 1 308.425 3.664 20 30 DHEDMO Cc1cc(Br)cc(C)c1C[NH2+]C[C@H](C#N)CCC#N ZINC000581269234 1014665715 /nfs/dbraw/zinc/66/57/15/1014665715.db2.gz CNMASKWWYXQPBX-ZDUSSCGKSA-N 1 1 320.234 3.599 20 30 DHEDMO Cc1cc2c(cc1Br)C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000933127733 1014675773 /nfs/dbraw/zinc/67/57/73/1014675773.db2.gz HZSKBSODCXGSOP-IUODEOHRSA-N 1 1 319.246 3.808 20 30 DHEDMO Cc1cc2c(cc1Br)C[N@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000933127733 1014675777 /nfs/dbraw/zinc/67/57/77/1014675777.db2.gz HZSKBSODCXGSOP-IUODEOHRSA-N 1 1 319.246 3.808 20 30 DHEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)c(OC)c2)cc1 ZINC000442794743 1014736035 /nfs/dbraw/zinc/73/60/35/1014736035.db2.gz DJAXOBIBPGIIAN-IBGZPJMESA-N 1 1 322.408 3.913 20 30 DHEDMO CC[N@H+](Cc1cc(C(F)(F)F)n[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000442803554 1014738718 /nfs/dbraw/zinc/73/87/18/1014738718.db2.gz XBGPMPNIOQCBDN-NSHDSACASA-N 1 1 322.334 3.883 20 30 DHEDMO CC[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000442803554 1014738726 /nfs/dbraw/zinc/73/87/26/1014738726.db2.gz XBGPMPNIOQCBDN-NSHDSACASA-N 1 1 322.334 3.883 20 30 DHEDMO COc1cc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)ccc1C#N ZINC000442804011 1014739721 /nfs/dbraw/zinc/73/97/21/1014739721.db2.gz VKFCDZMENXLXID-GOSISDBHSA-N 1 1 324.449 3.857 20 30 DHEDMO COc1cc(C[N@H+]2CCSC[C@@H]2c2ccccc2)ccc1C#N ZINC000442804011 1014739726 /nfs/dbraw/zinc/73/97/26/1014739726.db2.gz VKFCDZMENXLXID-GOSISDBHSA-N 1 1 324.449 3.857 20 30 DHEDMO CCC[N@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccc(C#N)cc1 ZINC000442814010 1014741662 /nfs/dbraw/zinc/74/16/62/1014741662.db2.gz UQXWSNUYSJUENQ-UHFFFAOYSA-N 1 1 322.334 3.712 20 30 DHEDMO CCC[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)Cc1ccc(C#N)cc1 ZINC000442814010 1014741669 /nfs/dbraw/zinc/74/16/69/1014741669.db2.gz UQXWSNUYSJUENQ-UHFFFAOYSA-N 1 1 322.334 3.712 20 30 DHEDMO COc1cc(C[N@@H+](C)Cc2cc3ccccc3o2)ccc1C#N ZINC000442891781 1014764343 /nfs/dbraw/zinc/76/43/43/1014764343.db2.gz SORSGJHCRWLODC-UHFFFAOYSA-N 1 1 306.365 3.945 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)ccc1OC ZINC000443071431 1014799756 /nfs/dbraw/zinc/79/97/56/1014799756.db2.gz SMJJCUYQYFIIPI-WBVHZDCISA-N 1 1 319.445 3.649 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)cc1 ZINC000443059454 1014803624 /nfs/dbraw/zinc/80/36/24/1014803624.db2.gz CABOPSKEWKTAIV-UHFFFAOYSA-N 1 1 311.429 3.797 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)Cc2cnc(C(C)C)nc2)cc1 ZINC000443059454 1014803637 /nfs/dbraw/zinc/80/36/37/1014803637.db2.gz CABOPSKEWKTAIV-UHFFFAOYSA-N 1 1 311.429 3.797 20 30 DHEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001167464771 1014896629 /nfs/dbraw/zinc/89/66/29/1014896629.db2.gz QNWLQMJSYQDTSM-BSIFCXSSSA-N 1 1 320.436 3.778 20 30 DHEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001167464773 1014898268 /nfs/dbraw/zinc/89/82/68/1014898268.db2.gz QNWLQMJSYQDTSM-OZOXKJRCSA-N 1 1 320.436 3.778 20 30 DHEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000895228215 1014952699 /nfs/dbraw/zinc/95/26/99/1014952699.db2.gz KKKGQZCPNUMLPA-SFHVURJKSA-N 1 1 322.456 3.923 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)ccc1F ZINC000121106606 1014975561 /nfs/dbraw/zinc/97/55/61/1014975561.db2.gz AICCGGVTIVHKTI-GOSISDBHSA-N 1 1 312.413 3.987 20 30 DHEDMO N#Cc1cc(C[N@H+]2CCSC[C@@H]2c2ccccc2)ccc1F ZINC000121106606 1014975572 /nfs/dbraw/zinc/97/55/72/1014975572.db2.gz AICCGGVTIVHKTI-GOSISDBHSA-N 1 1 312.413 3.987 20 30 DHEDMO C=CCc1cc(C[N@H+]2CCC3(CCCC3)C2)c(O)c(OC)c1 ZINC000754737337 1015174892 /nfs/dbraw/zinc/17/48/92/1015174892.db2.gz QMEJBLDZGRCRBI-UHFFFAOYSA-N 1 1 301.430 3.895 20 30 DHEDMO N#Cc1cccc(OCCC[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000477290068 1015186181 /nfs/dbraw/zinc/18/61/81/1015186181.db2.gz BXTJCYRHIVQYFY-SFHVURJKSA-N 1 1 324.399 3.956 20 30 DHEDMO C=CCC[N@H+](C)Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000276460311 1015191065 /nfs/dbraw/zinc/19/10/65/1015191065.db2.gz QNJDUBGDPUCTOP-UHFFFAOYSA-N 1 1 318.442 3.835 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@H](c4nccs4)C3)cc2)CC1 ZINC000895584991 1015210148 /nfs/dbraw/zinc/21/01/48/1015210148.db2.gz WPZBXPUCDYPASN-OAHLLOKOSA-N 1 1 309.438 3.688 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000895584577 1015211154 /nfs/dbraw/zinc/21/11/54/1015211154.db2.gz SFVQFASNBLBQRL-MRXNPFEDSA-N 1 1 312.438 3.535 20 30 DHEDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC001266830898 1015414440 /nfs/dbraw/zinc/41/44/40/1015414440.db2.gz RJKDCVUJBPIMII-CYBMUJFWSA-N 1 1 319.474 3.729 20 30 DHEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC001266830898 1015414445 /nfs/dbraw/zinc/41/44/45/1015414445.db2.gz RJKDCVUJBPIMII-CYBMUJFWSA-N 1 1 319.474 3.729 20 30 DHEDMO Cn1cc(C[N@H+](C)Cc2ccc(C#N)cc2)c(C2CCCC2)n1 ZINC000891604691 1015441129 /nfs/dbraw/zinc/44/11/29/1015441129.db2.gz MFEDQDFLZHNCHQ-UHFFFAOYSA-N 1 1 308.429 3.581 20 30 DHEDMO Cn1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(C2CCCC2)n1 ZINC000891604691 1015441136 /nfs/dbraw/zinc/44/11/36/1015441136.db2.gz MFEDQDFLZHNCHQ-UHFFFAOYSA-N 1 1 308.429 3.581 20 30 DHEDMO CC[N@@H+](Cc1cnn(C)c1C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000891655248 1015492386 /nfs/dbraw/zinc/49/23/86/1015492386.db2.gz GCOWQQOENMQZMI-CQSZACIVSA-N 1 1 308.429 3.752 20 30 DHEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000522472607 1015609084 /nfs/dbraw/zinc/60/90/84/1015609084.db2.gz AIIWLWYUUIEDAZ-QFBILLFUSA-N 1 1 306.409 3.815 20 30 DHEDMO CCC#C[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1OC ZINC001168302566 1032120733 /nfs/dbraw/zinc/12/07/33/1032120733.db2.gz OTUOVJSZOHHIQE-GFCCVEGCSA-N 1 1 310.235 3.691 20 30 DHEDMO CCC#C[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1OC ZINC001168302566 1032120740 /nfs/dbraw/zinc/12/07/40/1032120740.db2.gz OTUOVJSZOHHIQE-GFCCVEGCSA-N 1 1 310.235 3.691 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)c(OC(F)F)c1 ZINC000610613969 1015670647 /nfs/dbraw/zinc/67/06/47/1015670647.db2.gz ZRHJBTOOMXOGQY-AWEZNQCLSA-N 1 1 318.323 3.742 20 30 DHEDMO C[N@H+](Cc1cc(Br)ccc1C#N)CC1CCCC1 ZINC001141905070 1015692693 /nfs/dbraw/zinc/69/26/93/1015692693.db2.gz PIPIJYHKTMQYHR-UHFFFAOYSA-N 1 1 307.235 3.943 20 30 DHEDMO CC(C)C[N@@H+](CC[C@H]1CCCCO1)Cc1ccc(C#N)cc1 ZINC000347405985 1032124679 /nfs/dbraw/zinc/12/46/79/1032124679.db2.gz ZXXSFEZHMXRYMV-LJQANCHMSA-N 1 1 300.446 3.975 20 30 DHEDMO CCn1ncc2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)cc21 ZINC000329470291 1015713352 /nfs/dbraw/zinc/71/33/52/1015713352.db2.gz YSQQRKQHHJPMPC-INIZCTEOSA-N 1 1 314.433 3.909 20 30 DHEDMO Cc1nnc([C@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)s1 ZINC000329536550 1015733084 /nfs/dbraw/zinc/73/30/84/1015733084.db2.gz ULOUWBJIIYQBJK-AAEUAGOBSA-N 1 1 322.478 3.519 20 30 DHEDMO CCCc1[nH+]ccn1Cc1cc(C#N)ccc1Br ZINC000276960301 1015775209 /nfs/dbraw/zinc/77/52/09/1015775209.db2.gz VJWXQVRLKZJSPK-UHFFFAOYSA-N 1 1 304.191 3.518 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+]2CCO[C@](C)(CC)C2)ccc1OC ZINC000443860757 1015777616 /nfs/dbraw/zinc/77/76/16/1015777616.db2.gz JGESERRRLVOZRU-LJQANCHMSA-N 1 1 319.445 3.651 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CCO[C@](C)(CC)C2)ccc1OC ZINC000443860757 1015777620 /nfs/dbraw/zinc/77/76/20/1015777620.db2.gz JGESERRRLVOZRU-LJQANCHMSA-N 1 1 319.445 3.651 20 30 DHEDMO CC[N@H+](Cc1cccc(F)c1)Cc1ccc(C#N)c(SC)n1 ZINC001141943554 1015790875 /nfs/dbraw/zinc/79/08/75/1015790875.db2.gz AACOGSURIHTTHZ-UHFFFAOYSA-N 1 1 315.417 3.836 20 30 DHEDMO CC[N@@H+](Cc1cccc(F)c1)Cc1ccc(C#N)c(SC)n1 ZINC001141943554 1015790881 /nfs/dbraw/zinc/79/08/81/1015790881.db2.gz AACOGSURIHTTHZ-UHFFFAOYSA-N 1 1 315.417 3.836 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(Cl)c(F)c2)cc1C#N ZINC000535676300 1015791143 /nfs/dbraw/zinc/79/11/43/1015791143.db2.gz LMPHXNZQKAHGLM-UHFFFAOYSA-N 1 1 318.779 3.991 20 30 DHEDMO CC(C)(C)c1cc[nH+]c(N2CCO[C@H](c3ccc(C#N)cc3)C2)c1 ZINC000896873751 1015793020 /nfs/dbraw/zinc/79/30/20/1015793020.db2.gz WFJPIONYBRIERS-SFHVURJKSA-N 1 1 321.424 3.829 20 30 DHEDMO C=C1CC(c2noc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)C1 ZINC000896881068 1015796198 /nfs/dbraw/zinc/79/61/98/1015796198.db2.gz BSTNBBXGPSUWPZ-MRXNPFEDSA-N 1 1 309.413 3.883 20 30 DHEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)CC1CCCC1 ZINC000475048182 1015801915 /nfs/dbraw/zinc/80/19/15/1015801915.db2.gz NRUNCQFLZXPHPX-GOSISDBHSA-N 1 1 318.417 3.524 20 30 DHEDMO C=CCOc1cccc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c1 ZINC000535799704 1015828654 /nfs/dbraw/zinc/82/86/54/1015828654.db2.gz GQNOSDAEKYEAMV-QGZVFWFLSA-N 1 1 311.425 3.634 20 30 DHEDMO C=C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000341980373 1015860849 /nfs/dbraw/zinc/86/08/49/1015860849.db2.gz GWXAICMEONDRST-KBPBESRZSA-N 1 1 306.837 3.558 20 30 DHEDMO COc1ccc(C[N@H+]2CCC=C(c3ccccc3)C2)cc1C#N ZINC000341980911 1015862747 /nfs/dbraw/zinc/86/27/47/1015862747.db2.gz DDDIFEUJLXCPDW-UHFFFAOYSA-N 1 1 304.393 3.856 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000341992517 1015865913 /nfs/dbraw/zinc/86/59/13/1015865913.db2.gz MWCJHKHRFDENPP-UHFFFAOYSA-N 1 1 304.393 3.856 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000341999996 1015868049 /nfs/dbraw/zinc/86/80/49/1015868049.db2.gz XHSAFCZBHSYZHZ-GUYCJALGSA-N 1 1 322.399 3.595 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC(C)(C)OCC1(C)C ZINC000610859595 1015894146 /nfs/dbraw/zinc/89/41/46/1015894146.db2.gz ZXGAAWVACHQQOL-UHFFFAOYSA-N 1 1 300.446 3.877 20 30 DHEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000535826365 1015894965 /nfs/dbraw/zinc/89/49/65/1015894965.db2.gz WXDKVMOHZQEYIR-UHFFFAOYSA-N 1 1 304.821 3.875 20 30 DHEDMO C=CCOc1ccccc1C[N@H+](C)Cc1cc(Cl)cn1C ZINC000535826365 1015894975 /nfs/dbraw/zinc/89/49/75/1015894975.db2.gz WXDKVMOHZQEYIR-UHFFFAOYSA-N 1 1 304.821 3.875 20 30 DHEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000535851383 1015925157 /nfs/dbraw/zinc/92/51/57/1015925157.db2.gz WNIJUKKQXCATOX-OAHLLOKOSA-N 1 1 308.466 3.760 20 30 DHEDMO CCOc1ccc(C[N@@H+](Cc2ccnc(C#N)c2)C(C)C)cc1 ZINC000610991662 1015990567 /nfs/dbraw/zinc/99/05/67/1015990567.db2.gz QKXLQIIWYKYFTK-UHFFFAOYSA-N 1 1 309.413 3.763 20 30 DHEDMO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610992902 1015992951 /nfs/dbraw/zinc/99/29/51/1015992951.db2.gz RCTSYLDCJMGLFH-SFHVURJKSA-N 1 1 307.397 3.689 20 30 DHEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610992902 1015992956 /nfs/dbraw/zinc/99/29/56/1015992956.db2.gz RCTSYLDCJMGLFH-SFHVURJKSA-N 1 1 307.397 3.689 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)cc1C#N ZINC000610993455 1016005652 /nfs/dbraw/zinc/00/56/52/1016005652.db2.gz OYSRTUYAQKLULU-SFHVURJKSA-N 1 1 308.381 3.610 20 30 DHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)C1CCC(C)CC1 ZINC000060845681 1016017357 /nfs/dbraw/zinc/01/73/57/1016017357.db2.gz UXIOIAPJYANFOE-NKELODKYSA-N 1 1 317.473 3.665 20 30 DHEDMO CN(C)c1ccc(C=[NH+]Nc2cccc3cnccc32)cc1F ZINC000728432991 1016112490 /nfs/dbraw/zinc/11/24/90/1016112490.db2.gz MIDHMMKOOWYAPE-UHFFFAOYSA-N 1 1 308.360 3.886 20 30 DHEDMO C=CC[C@H]1[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)CCCC1(C)C ZINC000342179107 1016108101 /nfs/dbraw/zinc/10/81/01/1016108101.db2.gz XMAFBTTWSKRPIG-QGZVFWFLSA-N 1 1 321.486 3.657 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2ccc(S(C)(=O)=O)cc2)CCCC1(C)C ZINC000342179107 1016108106 /nfs/dbraw/zinc/10/81/06/1016108106.db2.gz XMAFBTTWSKRPIG-QGZVFWFLSA-N 1 1 321.486 3.657 20 30 DHEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173339942 1033694937 /nfs/dbraw/zinc/69/49/37/1033694937.db2.gz VVTXNYHFAPNYRL-HWOWSKLDSA-N 1 1 306.450 3.513 20 30 DHEDMO C=CC[N@H+](CC/C=C\CC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000342245429 1016181336 /nfs/dbraw/zinc/18/13/36/1016181336.db2.gz IXANPFKWRYOIIA-WLMCBFPDSA-N 1 1 311.433 3.568 20 30 DHEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001167516959 1016286459 /nfs/dbraw/zinc/28/64/59/1016286459.db2.gz LPYUGYPHLSSGCY-WOJBJXKFSA-N 1 1 308.425 3.545 20 30 DHEDMO COc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1OCCCC#N ZINC000157709338 1016316296 /nfs/dbraw/zinc/31/62/96/1016316296.db2.gz HAOIROASFIJCQU-HNNXBMFYSA-N 1 1 302.418 3.610 20 30 DHEDMO N#Cc1ccnc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC001167543433 1016318627 /nfs/dbraw/zinc/31/86/27/1016318627.db2.gz BYDWHMZMQAOPBD-MRXNPFEDSA-N 1 1 309.438 3.567 20 30 DHEDMO N#Cc1ccnc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC001167543432 1016319612 /nfs/dbraw/zinc/31/96/12/1016319612.db2.gz BYDWHMZMQAOPBD-INIZCTEOSA-N 1 1 309.438 3.567 20 30 DHEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@@H]1CC(C)C ZINC000131106991 1016396718 /nfs/dbraw/zinc/39/67/18/1016396718.db2.gz AFOZBYMCVIEVSA-GOSISDBHSA-N 1 1 323.444 3.593 20 30 DHEDMO CC(C)OC(=O)C[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187725959 1016506544 /nfs/dbraw/zinc/50/65/44/1016506544.db2.gz CKUWPKVLFSVQKV-RDJZCZTQSA-N 1 1 314.429 3.673 20 30 DHEDMO C[N@@H+](CCCOCc1ccccc1)Cc1ccc(C#N)s1 ZINC000281424236 1016510062 /nfs/dbraw/zinc/51/00/62/1016510062.db2.gz ZACIEJFQOLWNMR-UHFFFAOYSA-N 1 1 300.427 3.658 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000346942409 1016648525 /nfs/dbraw/zinc/64/85/25/1016648525.db2.gz KVQMTVZSKHOJSZ-MRXNPFEDSA-N 1 1 323.444 3.591 20 30 DHEDMO COc1cc(C[NH2+]C2(c3nc(C)cs3)CCC2)ccc1C#N ZINC000281800646 1016727437 /nfs/dbraw/zinc/72/74/37/1016727437.db2.gz VHARPGOTMFJYHN-UHFFFAOYSA-N 1 1 313.426 3.501 20 30 DHEDMO C=C1CC(C)(c2noc(C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)n2)C1 ZINC000896928361 1016931742 /nfs/dbraw/zinc/93/17/42/1016931742.db2.gz UYZMCJSCACOHQX-OAHLLOKOSA-N 1 1 320.396 3.775 20 30 DHEDMO C=CCCC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000665588222 1016950126 /nfs/dbraw/zinc/95/01/26/1016950126.db2.gz NRXZHDCXNFPEIC-IRXDYDNUSA-N 1 1 321.509 3.637 20 30 DHEDMO COc1ccc(OCC[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000186035569 1016961957 /nfs/dbraw/zinc/96/19/57/1016961957.db2.gz YOOMROFEXOTNBD-OAHLLOKOSA-N 1 1 310.397 3.639 20 30 DHEDMO C=CC[N@H+](CCCC(=O)OC(C)(C)C)Cc1cccc(C#N)c1 ZINC000342676604 1016981689 /nfs/dbraw/zinc/98/16/89/1016981689.db2.gz YZVYYHODQITAEY-UHFFFAOYSA-N 1 1 314.429 3.668 20 30 DHEDMO COc1ccccc1C[N@@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000342696728 1017031972 /nfs/dbraw/zinc/03/19/72/1017031972.db2.gz RKQKTNJGEYQGMG-UHFFFAOYSA-N 1 1 306.409 3.926 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000186257191 1017068860 /nfs/dbraw/zinc/06/88/60/1017068860.db2.gz XETYOFJUVGBXNC-KSSFIOAISA-N 1 1 312.438 3.890 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000186257191 1017068868 /nfs/dbraw/zinc/06/88/68/1017068868.db2.gz XETYOFJUVGBXNC-KSSFIOAISA-N 1 1 312.438 3.890 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000847017829 1032178228 /nfs/dbraw/zinc/17/82/28/1032178228.db2.gz FEAONLGQVPXMGT-QGZVFWFLSA-N 1 1 306.409 3.506 20 30 DHEDMO C#C[C@H]1CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000847017827 1032179000 /nfs/dbraw/zinc/17/90/00/1032179000.db2.gz FEAONLGQVPXMGT-KRWDZBQOSA-N 1 1 306.409 3.506 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000847025173 1032180532 /nfs/dbraw/zinc/18/05/32/1032180532.db2.gz VHWBNHNNXLQZTA-CQSZACIVSA-N 1 1 312.438 3.664 20 30 DHEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(OC)cc3)n2)C1 ZINC000847025173 1032180543 /nfs/dbraw/zinc/18/05/43/1032180543.db2.gz VHWBNHNNXLQZTA-CQSZACIVSA-N 1 1 312.438 3.664 20 30 DHEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000847023105 1032182523 /nfs/dbraw/zinc/18/25/23/1032182523.db2.gz KYEBZZVDWQVNPQ-DLBZAZTESA-N 1 1 312.457 3.791 20 30 DHEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000847023105 1032182528 /nfs/dbraw/zinc/18/25/28/1032182528.db2.gz KYEBZZVDWQVNPQ-DLBZAZTESA-N 1 1 312.457 3.791 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]2CCCC2CCCCC2)C1=O ZINC001275763939 1032186100 /nfs/dbraw/zinc/18/61/00/1032186100.db2.gz UTJICTUHOLHSHS-FQEVSTJZSA-N 1 1 318.505 3.990 20 30 DHEDMO C=C(C)CN1CC[C@@]2(CC[N@@H+](CCCC3CCCCC3)C2)C1=O ZINC001275764102 1032193128 /nfs/dbraw/zinc/19/31/28/1032193128.db2.gz ZXNSTTCKLVKYMF-HXUWFJFHSA-N 1 1 318.505 3.847 20 30 DHEDMO C[C@@H]1C[C@@H](N2CCC[C@@H](C#N)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168059387 1017071550 /nfs/dbraw/zinc/07/15/50/1017071550.db2.gz FDJUQORTBTUMHX-HNJRGHQBSA-N 1 1 311.473 3.664 20 30 DHEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2cscn2)c1 ZINC000772985725 1032342439 /nfs/dbraw/zinc/34/24/39/1032342439.db2.gz XRNDLBFCIMSIMW-OCCSQVGLSA-N 1 1 301.415 3.675 20 30 DHEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2cscn2)c1 ZINC000772985723 1032343267 /nfs/dbraw/zinc/34/32/67/1032343267.db2.gz XRNDLBFCIMSIMW-GXTWGEPZSA-N 1 1 301.415 3.675 20 30 DHEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C3CCCC3)C2)cc1 ZINC001171330389 1032391304 /nfs/dbraw/zinc/39/13/04/1032391304.db2.gz AQXDSSMBMVDVHT-GOSISDBHSA-N 1 1 310.441 3.509 20 30 DHEDMO Cc1cc(C#N)ccc1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000323313108 1032393731 /nfs/dbraw/zinc/39/37/31/1032393731.db2.gz GIYONPYLVLUDED-UHFFFAOYSA-N 1 1 319.452 3.575 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000323313108 1032393756 /nfs/dbraw/zinc/39/37/56/1032393756.db2.gz GIYONPYLVLUDED-UHFFFAOYSA-N 1 1 319.452 3.575 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000323313108 1032393767 /nfs/dbraw/zinc/39/37/67/1032393767.db2.gz GIYONPYLVLUDED-UHFFFAOYSA-N 1 1 319.452 3.575 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H](c2ccccc2)O1 ZINC000342720378 1017086242 /nfs/dbraw/zinc/08/62/42/1017086242.db2.gz GLOJMRDKWZIQIC-UZLBHIALSA-N 1 1 306.409 3.715 20 30 DHEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C#N)o1 ZINC000092100919 1032476153 /nfs/dbraw/zinc/47/61/53/1032476153.db2.gz HUUQSKNUCHCVOT-UHFFFAOYSA-N 1 1 320.396 3.606 20 30 DHEDMO C=CC[N@@H+](Cc1c(C)nn(CC)c1C)Cc1ccc(OC)cc1 ZINC000092217504 1032483430 /nfs/dbraw/zinc/48/34/30/1032483430.db2.gz UDQZECUVTNRECI-UHFFFAOYSA-N 1 1 313.445 3.717 20 30 DHEDMO C=CC[N@H+](Cc1c(C)nn(CC)c1C)Cc1ccc(OC)cc1 ZINC000092217504 1032483436 /nfs/dbraw/zinc/48/34/36/1032483436.db2.gz UDQZECUVTNRECI-UHFFFAOYSA-N 1 1 313.445 3.717 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](CC)Cc2cnn(C)c2)cc1Cl ZINC000092437607 1032494076 /nfs/dbraw/zinc/49/40/76/1032494076.db2.gz KHGJVHFIXRMECC-UHFFFAOYSA-N 1 1 319.836 3.660 20 30 DHEDMO CC(C)(C#N)C[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000348217820 1032498076 /nfs/dbraw/zinc/49/80/76/1032498076.db2.gz HDDRKWZJPRGUKL-UHFFFAOYSA-N 1 1 322.334 3.530 20 30 DHEDMO CC[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCS1 ZINC000093502151 1032542872 /nfs/dbraw/zinc/54/28/72/1032542872.db2.gz MCKDBOIJUPZYFW-KRWDZBQOSA-N 1 1 304.459 3.697 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)CCSC)cc1OC ZINC000093558801 1032546250 /nfs/dbraw/zinc/54/62/50/1032546250.db2.gz VXUDJWUXNSNMEB-AWEZNQCLSA-N 1 1 309.475 3.833 20 30 DHEDMO CCN(C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1)CC(F)(F)F ZINC000093771268 1032555882 /nfs/dbraw/zinc/55/58/82/1032555882.db2.gz HVHLNMZEENQMFG-CQSZACIVSA-N 1 1 319.415 3.522 20 30 DHEDMO C=CC[NH+]1CCC(N[C@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424319211 1011976258 /nfs/dbraw/zinc/97/62/58/1011976258.db2.gz SBFQSCWDLNMGGZ-CYBMUJFWSA-N 1 1 308.853 3.650 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424695891 1012091720 /nfs/dbraw/zinc/09/17/20/1012091720.db2.gz MJLYJOXOMWURGC-GOSISDBHSA-N 1 1 314.473 3.569 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000424747514 1012115951 /nfs/dbraw/zinc/11/59/51/1012115951.db2.gz NABDZUPOILJUNL-JKSUJKDBSA-N 1 1 320.864 3.804 20 30 DHEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000424747514 1012115964 /nfs/dbraw/zinc/11/59/64/1012115964.db2.gz NABDZUPOILJUNL-JKSUJKDBSA-N 1 1 320.864 3.804 20 30 DHEDMO C[C@@H]1COCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000513973206 1012233793 /nfs/dbraw/zinc/23/37/93/1012233793.db2.gz QUSWATFCHXZNJR-INIZCTEOSA-N 1 1 306.409 3.694 20 30 DHEDMO C=C(C)[C@H]([NH2+]Cc1ccc(OC)cn1)c1ccc(F)c(F)c1 ZINC000514191824 1012289800 /nfs/dbraw/zinc/28/98/00/1012289800.db2.gz CAYVRCFHEAQZFJ-KRWDZBQOSA-N 1 1 304.340 3.775 20 30 DHEDMO N#C[C@H]1CC[C@@H](Nc2cc[nH+]c3ccc(Br)cc23)C1 ZINC000425272389 1012394006 /nfs/dbraw/zinc/39/40/06/1012394006.db2.gz KNQWQCGTDAYUSU-CMPLNLGQSA-N 1 1 316.202 3.523 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc2c1OCCCO2 ZINC000425363795 1012489821 /nfs/dbraw/zinc/48/98/21/1012489821.db2.gz CWSVNGHMQUKMTD-OAHLLOKOSA-N 1 1 322.408 3.913 20 30 DHEDMO C=CCCc1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)n1 ZINC000624637515 1012491889 /nfs/dbraw/zinc/49/18/89/1012491889.db2.gz KEVOLXFRDLJBJX-ZWKOTPCHSA-N 1 1 323.440 3.814 20 30 DHEDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425366444 1012496587 /nfs/dbraw/zinc/49/65/87/1012496587.db2.gz PYALGQAVWDXIMQ-CQSZACIVSA-N 1 1 309.369 3.968 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000515074818 1012550852 /nfs/dbraw/zinc/55/08/52/1012550852.db2.gz RARPCOAZUBOFKC-LJQANCHMSA-N 1 1 310.372 3.638 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000515074818 1012550866 /nfs/dbraw/zinc/55/08/66/1012550866.db2.gz RARPCOAZUBOFKC-LJQANCHMSA-N 1 1 310.372 3.638 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000302916834 1012664030 /nfs/dbraw/zinc/66/40/30/1012664030.db2.gz NYXPFAFKNMTAGG-GOSISDBHSA-N 1 1 306.425 3.537 20 30 DHEDMO CCC[N@@H+](C[C@@H]1COc2ccccc2O1)CC(C)(C)CCC#N ZINC000179652517 1012764083 /nfs/dbraw/zinc/76/40/83/1012764083.db2.gz UNBNCOSEBINHAG-MRXNPFEDSA-N 1 1 316.445 3.868 20 30 DHEDMO Cc1ccc(N(CCC#N)C(=O)Cn2cc[nH+]c2C(C)C)cc1C ZINC000123670755 1032655536 /nfs/dbraw/zinc/65/55/36/1032655536.db2.gz ZDHOUQCSNQYTSE-UHFFFAOYSA-N 1 1 324.428 3.570 20 30 DHEDMO COc1ccccc1C1([NH2+]CC#Cc2ccccc2Cl)CC1 ZINC001171434795 1032660003 /nfs/dbraw/zinc/66/00/03/1032660003.db2.gz GNBOLOISIMYXHQ-UHFFFAOYSA-N 1 1 311.812 3.979 20 30 DHEDMO C=CCCC(C)(C)NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000664624345 1012828040 /nfs/dbraw/zinc/82/80/40/1012828040.db2.gz FNTONLPSBBRTSX-JKSUJKDBSA-N 1 1 321.509 3.683 20 30 DHEDMO C=CCCCC[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000516848096 1012847357 /nfs/dbraw/zinc/84/73/57/1012847357.db2.gz YINXQJNNSKLFOC-MRXNPFEDSA-N 1 1 302.466 3.540 20 30 DHEDMO C[C@H]1C[C@@H](Nc2c(C#N)cnc3c(Cl)cccc32)CC[N@H+]1C ZINC000516967973 1012878370 /nfs/dbraw/zinc/87/83/70/1012878370.db2.gz XJUSKCTUYYHBRX-AAEUAGOBSA-N 1 1 314.820 3.654 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](CC)CSC)cc1OC ZINC000517059409 1012899241 /nfs/dbraw/zinc/89/92/41/1012899241.db2.gz VOQXEAKEVQUJDB-HNNXBMFYSA-N 1 1 309.475 3.833 20 30 DHEDMO CC[N@@H+](CCOc1ccccc1C#N)[C@H](C)Cc1ccsc1 ZINC000425911335 1012946593 /nfs/dbraw/zinc/94/65/93/1012946593.db2.gz APGWSBXYTUVRBN-OAHLLOKOSA-N 1 1 314.454 3.952 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cccc(O)c2)cc1 ZINC000255024314 1012969294 /nfs/dbraw/zinc/96/92/94/1012969294.db2.gz LCWZZXXOLKOBED-YHYXMXQVSA-N 1 1 304.349 3.782 20 30 DHEDMO C[N@H+](C/C=C/c1ccc(F)cc1)CCOCc1ccc(C#N)cc1 ZINC000517438977 1012986394 /nfs/dbraw/zinc/98/63/94/1012986394.db2.gz OBCCGAMSJFWWNP-NSCUHMNNSA-N 1 1 324.399 3.859 20 30 DHEDMO CC(C)[N@@H+](CCO)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000177844340 1017144775 /nfs/dbraw/zinc/14/47/75/1017144775.db2.gz XZXULFOCTOXOIO-UHFFFAOYSA-N 1 1 322.452 3.589 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000076153629 1017379092 /nfs/dbraw/zinc/37/90/92/1017379092.db2.gz RFIDZLDLRDMTRZ-PMACEKPBSA-N 1 1 301.393 3.830 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000076153629 1017379103 /nfs/dbraw/zinc/37/91/03/1017379103.db2.gz RFIDZLDLRDMTRZ-PMACEKPBSA-N 1 1 301.393 3.830 20 30 DHEDMO COc1ccc(OCC[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000122882373 1017394880 /nfs/dbraw/zinc/39/48/80/1017394880.db2.gz UEZGFDPPJIWSBW-OAHLLOKOSA-N 1 1 310.397 3.639 20 30 DHEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268613423 1017567903 /nfs/dbraw/zinc/56/79/03/1017567903.db2.gz LNVCJDSXRGFTDI-ACJLOTCBSA-N 1 1 314.816 3.938 20 30 DHEDMO CC(C)[C@@H]1CC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000342860899 1017608452 /nfs/dbraw/zinc/60/84/52/1017608452.db2.gz KGGANWKQJMMHJK-SFHVURJKSA-N 1 1 308.429 3.694 20 30 DHEDMO C=CC[C@@H]1N(C(=O)CCn2cc[nH+]c2C(C)C)CCCC1(C)C ZINC000444640437 1017613134 /nfs/dbraw/zinc/61/31/34/1017613134.db2.gz RVJPHXMBWXPFID-INIZCTEOSA-N 1 1 317.477 3.990 20 30 DHEDMO COc1ccc(C#N)cc1C[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000444668775 1017618841 /nfs/dbraw/zinc/61/88/41/1017618841.db2.gz DAXZYKXRQZNLQU-UHFFFAOYSA-N 1 1 306.409 3.730 20 30 DHEDMO Cc1cc(C)cc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000444710889 1017643372 /nfs/dbraw/zinc/64/33/72/1017643372.db2.gz SYVZTOOEFLALJD-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO CC(C)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000444750158 1017657806 /nfs/dbraw/zinc/65/78/06/1017657806.db2.gz YNGWXESVYZZLLV-AWEZNQCLSA-N 1 1 319.836 3.518 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000121505591 1017711178 /nfs/dbraw/zinc/71/11/78/1017711178.db2.gz LNYYLOFYZIEEDB-IBGZPJMESA-N 1 1 321.424 3.643 20 30 DHEDMO Cc1cccc2c1ncc(C#N)c2N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000091480216 1017758281 /nfs/dbraw/zinc/75/82/81/1017758281.db2.gz ADZYAILCEHSFCX-CQSZACIVSA-N 1 1 317.396 3.522 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2nc3cc(Br)ccc3o2)C1 ZINC000625700311 1017777145 /nfs/dbraw/zinc/77/71/45/1017777145.db2.gz BAPXGLIMRONXJB-NSHDSACASA-N 1 1 321.218 3.988 20 30 DHEDMO N#Cc1cc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)ccc1F ZINC000121533027 1017783502 /nfs/dbraw/zinc/78/35/02/1017783502.db2.gz WORTXPXFGKWROM-KRWDZBQOSA-N 1 1 302.393 3.621 20 30 DHEDMO C=CC[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)C1 ZINC000625704714 1017783888 /nfs/dbraw/zinc/78/38/88/1017783888.db2.gz ZZQQRLKNAKYROZ-CYBMUJFWSA-N 1 1 316.836 3.534 20 30 DHEDMO CC(C)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000242956000 1017894161 /nfs/dbraw/zinc/89/41/61/1017894161.db2.gz HHSLBCCRTDQWEN-UHFFFAOYSA-N 1 1 321.424 3.797 20 30 DHEDMO C#CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC001171491786 1032733537 /nfs/dbraw/zinc/73/35/37/1032733537.db2.gz ZGVUOKMHVVDCSG-INIZCTEOSA-N 1 1 306.409 3.514 20 30 DHEDMO CC1(C)C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000674251958 1017911788 /nfs/dbraw/zinc/91/17/88/1017911788.db2.gz XKSRCECLNJPSRK-UHFFFAOYSA-N 1 1 311.347 3.558 20 30 DHEDMO COc1ccc(C[N@H+](C)Cc2ccco2)cc1OCCCC#N ZINC000162177616 1017931294 /nfs/dbraw/zinc/93/12/94/1017931294.db2.gz PVAFNWLMODOAKO-UHFFFAOYSA-N 1 1 314.385 3.603 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccco2)cc1OCCCC#N ZINC000162177616 1017931304 /nfs/dbraw/zinc/93/13/04/1017931304.db2.gz PVAFNWLMODOAKO-UHFFFAOYSA-N 1 1 314.385 3.603 20 30 DHEDMO CC(C)[C@@H](C(=O)Nc1ccc2nc[nH]c2c1)[NH+]1CCCCC1 ZINC000329118185 1017951900 /nfs/dbraw/zinc/95/19/00/1017951900.db2.gz UVZKJBWKZGVHGS-INIZCTEOSA-N 1 1 300.406 3.661 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001167648765 1017958328 /nfs/dbraw/zinc/95/83/28/1017958328.db2.gz XYXWKSFVYGNRBX-UHFFFAOYSA-N 1 1 321.380 3.642 20 30 DHEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001167648765 1017958338 /nfs/dbraw/zinc/95/83/38/1017958338.db2.gz XYXWKSFVYGNRBX-UHFFFAOYSA-N 1 1 321.380 3.642 20 30 DHEDMO C=CC(C)(C)CC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001128716583 1017979807 /nfs/dbraw/zinc/97/98/07/1017979807.db2.gz LRHMIGYMQZXZIA-FUHWJXTLSA-N 1 1 312.457 3.732 20 30 DHEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000441032161 1018145109 /nfs/dbraw/zinc/14/51/09/1018145109.db2.gz KOQLFMVMCSADGX-ORAYPTAESA-N 1 1 310.372 3.521 20 30 DHEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000441032161 1018145113 /nfs/dbraw/zinc/14/51/13/1018145113.db2.gz KOQLFMVMCSADGX-ORAYPTAESA-N 1 1 310.372 3.521 20 30 DHEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CCCCC1 ZINC001127740111 1018207543 /nfs/dbraw/zinc/20/75/43/1018207543.db2.gz KSMFBPXJNGDSTF-GOSISDBHSA-N 1 1 312.457 3.816 20 30 DHEDMO C=CCC1(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CCCCC1 ZINC001127740111 1018207552 /nfs/dbraw/zinc/20/75/52/1018207552.db2.gz KSMFBPXJNGDSTF-GOSISDBHSA-N 1 1 312.457 3.816 20 30 DHEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858028340 1032752521 /nfs/dbraw/zinc/75/25/21/1032752521.db2.gz GFSUWOINJRJHBY-QGZVFWFLSA-N 1 1 313.445 3.742 20 30 DHEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(C#N)s1)CCC2 ZINC000125587987 1018300734 /nfs/dbraw/zinc/30/07/34/1018300734.db2.gz MGHYJTXVTGDDNP-AWEZNQCLSA-N 1 1 303.456 3.894 20 30 DHEDMO C=CCCCCC[N@H+](C)CCC(=O)N1CCc2sccc2C1 ZINC000150877208 1018304700 /nfs/dbraw/zinc/30/47/00/1018304700.db2.gz OXHPXFKZGJKRGG-UHFFFAOYSA-N 1 1 320.502 3.701 20 30 DHEDMO CCCc1[nH+]ccn1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000535990773 1018317906 /nfs/dbraw/zinc/31/79/06/1018317906.db2.gz INHMAVKXOQBSMJ-UHFFFAOYSA-N 1 1 308.303 3.786 20 30 DHEDMO C#CC[N@@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1C)C1CC1 ZINC000764684616 1018350765 /nfs/dbraw/zinc/35/07/65/1018350765.db2.gz ZOGAVMUTHZBKDJ-UHFFFAOYSA-N 1 1 313.832 3.740 20 30 DHEDMO C#CC[N@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1C)C1CC1 ZINC000764684616 1018350776 /nfs/dbraw/zinc/35/07/76/1018350776.db2.gz ZOGAVMUTHZBKDJ-UHFFFAOYSA-N 1 1 313.832 3.740 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000583331227 1018354035 /nfs/dbraw/zinc/35/40/35/1018354035.db2.gz XERVOQNKTBDQOJ-HNNXBMFYSA-N 1 1 300.446 3.817 20 30 DHEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000447403392 1018389862 /nfs/dbraw/zinc/38/98/62/1018389862.db2.gz OGOMPWCCYMFSGV-QGZVFWFLSA-N 1 1 306.837 3.993 20 30 DHEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000447403391 1018390479 /nfs/dbraw/zinc/39/04/79/1018390479.db2.gz OGOMPWCCYMFSGV-KRWDZBQOSA-N 1 1 306.837 3.993 20 30 DHEDMO COc1ccc(N[NH+]=C(C)c2ccc(F)cc2N(C)C)cc1 ZINC000750946596 1018420091 /nfs/dbraw/zinc/42/00/91/1018420091.db2.gz WGTIDRNVGHIJQI-UHFFFAOYSA-N 1 1 301.365 3.736 20 30 DHEDMO CC[C@H](NC[C@H]1CCC[N@H+](CC(C)C)C1)c1ccc(C#N)cc1 ZINC000447585558 1018429506 /nfs/dbraw/zinc/42/95/06/1018429506.db2.gz KLXFUFQYYPIZLL-QUCCMNQESA-N 1 1 313.489 3.967 20 30 DHEDMO CC[C@H](NC[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(C#N)cc1 ZINC000447585558 1018429508 /nfs/dbraw/zinc/42/95/08/1018429508.db2.gz KLXFUFQYYPIZLL-QUCCMNQESA-N 1 1 313.489 3.967 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000127470668 1018497846 /nfs/dbraw/zinc/49/78/46/1018497846.db2.gz AKNBUISNXOLHIV-LJQANCHMSA-N 1 1 308.429 3.702 20 30 DHEDMO NC(=[NH+]OCc1nnc(-c2ccccc2)s1)C1CCCCC1 ZINC000127923087 1018531441 /nfs/dbraw/zinc/53/14/41/1018531441.db2.gz QCOKFNNQOJECGH-UHFFFAOYSA-N 1 1 316.430 3.574 20 30 DHEDMO C=C(C[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C)c1ccccc1 ZINC000675781972 1018590288 /nfs/dbraw/zinc/59/02/88/1018590288.db2.gz JCDCMYXHISRALH-INIZCTEOSA-N 1 1 318.424 3.940 20 30 DHEDMO C=CC[N@@H+](Cc1cc(Cl)cc2cccnc21)[C@H](C)COC ZINC000661244880 1018704456 /nfs/dbraw/zinc/70/44/56/1018704456.db2.gz XCZPBMLGDQQKQK-CYBMUJFWSA-N 1 1 304.821 3.911 20 30 DHEDMO CC(C)(C)C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000057863390 1018740079 /nfs/dbraw/zinc/74/00/79/1018740079.db2.gz WGNCCFMFCIODSX-MRXNPFEDSA-N 1 1 313.445 3.787 20 30 DHEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@H]2C2CC2)cc1 ZINC000676557714 1018772887 /nfs/dbraw/zinc/77/28/87/1018772887.db2.gz QSDFEISXCAYBIV-INIZCTEOSA-N 1 1 309.331 3.811 20 30 DHEDMO COc1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@H](C#N)CC3)CCO2)cc1 ZINC001168663240 1018777704 /nfs/dbraw/zinc/77/77/04/1018777704.db2.gz SSQAXQQAXOSKEB-WDYCEAGBSA-N 1 1 314.429 3.541 20 30 DHEDMO Cc1c([C@@H](C)[NH2+]CC2(C#N)CCC2)cnn1-c1ccc(F)cc1 ZINC000450669650 1018904396 /nfs/dbraw/zinc/90/43/96/1018904396.db2.gz TVSGZGIGVYMDGF-CYBMUJFWSA-N 1 1 312.392 3.664 20 30 DHEDMO CC[C@@H](C)[C@H](C)[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000584056092 1018906542 /nfs/dbraw/zinc/90/65/42/1018906542.db2.gz DVBLCULINIPATD-OLZOCXBDSA-N 1 1 301.390 3.865 20 30 DHEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000074322144 1018930676 /nfs/dbraw/zinc/93/06/76/1018930676.db2.gz BTPFDMXPWNIPIG-UHFFFAOYSA-N 1 1 319.452 3.655 20 30 DHEDMO CN(Cc1ccc(C#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322144 1018930688 /nfs/dbraw/zinc/93/06/88/1018930688.db2.gz BTPFDMXPWNIPIG-UHFFFAOYSA-N 1 1 319.452 3.655 20 30 DHEDMO Cc1cc(N=NC2CC[N@H+]3CCC[C@H]23)nc2ccc(Cl)cc12 ZINC000765570660 1018942301 /nfs/dbraw/zinc/94/23/01/1018942301.db2.gz UZNOXZLQAQQWLO-MRXNPFEDSA-N 1 1 314.820 3.833 20 30 DHEDMO Cc1ccc([C@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CCO2)o1 ZINC000159188104 1019018497 /nfs/dbraw/zinc/01/84/97/1019018497.db2.gz IUKRFBCAGNGIFV-LJQANCHMSA-N 1 1 324.424 3.963 20 30 DHEDMO Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3C(C)(C)C#N)CCO2)o1 ZINC000159188104 1019018513 /nfs/dbraw/zinc/01/85/13/1019018513.db2.gz IUKRFBCAGNGIFV-LJQANCHMSA-N 1 1 324.424 3.963 20 30 DHEDMO C=C(C)[C@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000248586479 1019054750 /nfs/dbraw/zinc/05/47/50/1019054750.db2.gz XVLHPZUKINKVHH-WRSAYESZSA-N 1 1 306.400 3.797 20 30 DHEDMO C=C(C)[C@H](N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000248586479 1019054758 /nfs/dbraw/zinc/05/47/58/1019054758.db2.gz XVLHPZUKINKVHH-WRSAYESZSA-N 1 1 306.400 3.797 20 30 DHEDMO Fc1ccc(C[N@@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 ZINC000076182023 1019079577 /nfs/dbraw/zinc/07/95/77/1019079577.db2.gz PREKSXGQZWDFGK-PHIMTYICSA-N 1 1 315.232 3.998 20 30 DHEDMO Fc1ccc(C[N@H+]2C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C2)cc1 ZINC000076182023 1019079591 /nfs/dbraw/zinc/07/95/91/1019079591.db2.gz PREKSXGQZWDFGK-PHIMTYICSA-N 1 1 315.232 3.998 20 30 DHEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H](CO)C(C)(C)C)cc1 ZINC001168559760 1019158731 /nfs/dbraw/zinc/15/87/31/1019158731.db2.gz OWXONRZAPDMFTG-MSOLQXFVSA-N 1 1 302.462 3.828 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)c1ccccc1C ZINC000159750679 1019221108 /nfs/dbraw/zinc/22/11/08/1019221108.db2.gz JRKKRJBTYJILGR-HXUWFJFHSA-N 1 1 306.409 3.588 20 30 DHEDMO CCCN(CCC)C(=O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000065433043 1019347043 /nfs/dbraw/zinc/34/70/43/1019347043.db2.gz DBYPMBJWOWEFQC-MRXNPFEDSA-N 1 1 315.461 3.590 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3C3CCCCC3)n2c1 ZINC000153475997 1019347948 /nfs/dbraw/zinc/34/79/48/1019347948.db2.gz NIOBPYMUICMOTN-SFHVURJKSA-N 1 1 308.429 3.751 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000172395540 1019386581 /nfs/dbraw/zinc/38/65/81/1019386581.db2.gz DWBBOEFRRCHATA-KUHUBIRLSA-N 1 1 310.372 3.832 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000172395540 1019386599 /nfs/dbraw/zinc/38/65/99/1019386599.db2.gz DWBBOEFRRCHATA-KUHUBIRLSA-N 1 1 310.372 3.832 20 30 DHEDMO CC[C@H](C)Oc1cc(C[N@H+](CCC#N)C(C)C)ccc1OC ZINC000611259162 1019423517 /nfs/dbraw/zinc/42/35/17/1019423517.db2.gz FEWQIKAKWKOHPC-HNNXBMFYSA-N 1 1 304.434 3.997 20 30 DHEDMO CC[C@H](C)Oc1cc(C[N@@H+](CCC#N)C(C)C)ccc1OC ZINC000611259162 1019423524 /nfs/dbraw/zinc/42/35/24/1019423524.db2.gz FEWQIKAKWKOHPC-HNNXBMFYSA-N 1 1 304.434 3.997 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2nccs2)cc1 ZINC000611346475 1019453225 /nfs/dbraw/zinc/45/32/25/1019453225.db2.gz JHOMELDLERPIAV-UHFFFAOYSA-N 1 1 305.406 3.972 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](C)[C@H]2C)c1C#N ZINC000611348379 1019453991 /nfs/dbraw/zinc/45/39/91/1019453991.db2.gz WGLZYYCAIYAYAG-GDBMZVCRSA-N 1 1 308.429 3.673 20 30 DHEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c1C#N ZINC000611348379 1019453993 /nfs/dbraw/zinc/45/39/93/1019453993.db2.gz WGLZYYCAIYAYAG-GDBMZVCRSA-N 1 1 308.429 3.673 20 30 DHEDMO CC(C)[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391909 1019465784 /nfs/dbraw/zinc/46/57/84/1019465784.db2.gz DWBUPCJEEWMMKV-PXNSSMCTSA-N 1 1 311.473 3.646 20 30 DHEDMO CC(C)[N@H+]1CCC[C@@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391909 1019465792 /nfs/dbraw/zinc/46/57/92/1019465792.db2.gz DWBUPCJEEWMMKV-PXNSSMCTSA-N 1 1 311.473 3.646 20 30 DHEDMO CC(C)[N@@H+]1CCC[C@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391910 1019465944 /nfs/dbraw/zinc/46/59/44/1019465944.db2.gz DWBUPCJEEWMMKV-XLIONFOSSA-N 1 1 311.473 3.646 20 30 DHEDMO CC(C)[N@H+]1CCC[C@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391910 1019465950 /nfs/dbraw/zinc/46/59/50/1019465950.db2.gz DWBUPCJEEWMMKV-XLIONFOSSA-N 1 1 311.473 3.646 20 30 DHEDMO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391908 1019466479 /nfs/dbraw/zinc/46/64/79/1019466479.db2.gz DWBUPCJEEWMMKV-FXAWDEMLSA-N 1 1 311.473 3.646 20 30 DHEDMO CC(C)[N@H+]1CCC[C@@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391908 1019466488 /nfs/dbraw/zinc/46/64/88/1019466488.db2.gz DWBUPCJEEWMMKV-FXAWDEMLSA-N 1 1 311.473 3.646 20 30 DHEDMO COC(=O)c1oc(C[NH2+][C@H](CCC#N)c2ccccc2)cc1C ZINC000611407002 1019473665 /nfs/dbraw/zinc/47/36/65/1019473665.db2.gz RGQIBWSRJLHRTL-MRXNPFEDSA-N 1 1 312.369 3.509 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000078301629 1019482678 /nfs/dbraw/zinc/48/26/78/1019482678.db2.gz HQPNXJBFLZMIKN-UHFFFAOYSA-N 1 1 308.356 3.692 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000078301629 1019482686 /nfs/dbraw/zinc/48/26/86/1019482686.db2.gz HQPNXJBFLZMIKN-UHFFFAOYSA-N 1 1 308.356 3.692 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)ccn1 ZINC000611503164 1019505796 /nfs/dbraw/zinc/50/57/96/1019505796.db2.gz HJOFMVAIUDSEDS-INIZCTEOSA-N 1 1 309.388 3.862 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000611554457 1019514711 /nfs/dbraw/zinc/51/47/11/1019514711.db2.gz QQQOHIMKKJBDFQ-BXUZGUMPSA-N 1 1 312.335 3.730 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000611554457 1019514723 /nfs/dbraw/zinc/51/47/23/1019514723.db2.gz QQQOHIMKKJBDFQ-BXUZGUMPSA-N 1 1 312.335 3.730 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000248836254 1019681243 /nfs/dbraw/zinc/68/12/43/1019681243.db2.gz JYPQKXROMJZXAB-FPOVZHCZSA-N 1 1 310.485 3.625 20 30 DHEDMO C=CCNC(=S)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000727704678 1019766125 /nfs/dbraw/zinc/76/61/25/1019766125.db2.gz IUCIYTVJWYRYHG-CYBMUJFWSA-N 1 1 303.475 3.519 20 30 DHEDMO N#CCOc1ccc(C[N@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000264170652 1032866493 /nfs/dbraw/zinc/86/64/93/1032866493.db2.gz VQPAHFUKJOGECC-UHFFFAOYSA-N 1 1 310.372 3.893 20 30 DHEDMO N#Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1C(F)(F)F ZINC000317625908 1019997683 /nfs/dbraw/zinc/99/76/83/1019997683.db2.gz VQTHHTQWDFEXOW-ZIAGYGMSSA-N 1 1 309.335 3.616 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c(Cl)c1 ZINC000318125781 1020028605 /nfs/dbraw/zinc/02/86/05/1020028605.db2.gz MQKWEVKPQPNTJR-CGTJXYLNSA-N 1 1 318.848 3.727 20 30 DHEDMO CCCCCCC[C@H](C)CNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000731119244 1020068256 /nfs/dbraw/zinc/06/82/56/1020068256.db2.gz GUKHYGGIHLKBRZ-DLBZAZTESA-N 1 1 311.514 3.624 20 30 DHEDMO C=C(Br)C[N@@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000731399367 1020103462 /nfs/dbraw/zinc/10/34/62/1020103462.db2.gz JYABGMHRWRNSQZ-CYBMUJFWSA-N 1 1 312.251 3.857 20 30 DHEDMO C=C(Br)C[N@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000731399367 1020103467 /nfs/dbraw/zinc/10/34/67/1020103467.db2.gz JYABGMHRWRNSQZ-CYBMUJFWSA-N 1 1 312.251 3.857 20 30 DHEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1nc(-c2ccncc2)cs1 ZINC000124123197 1020144673 /nfs/dbraw/zinc/14/46/73/1020144673.db2.gz DUVLVAPYNUEVHA-CYBMUJFWSA-N 1 1 320.421 3.928 20 30 DHEDMO CC[NH+](CC)[C@@H](C(=O)OCc1ccccc1C#N)c1ccccc1 ZINC000731908643 1020169912 /nfs/dbraw/zinc/16/99/12/1020169912.db2.gz OTMHIGYERBDYDD-LJQANCHMSA-N 1 1 322.408 3.685 20 30 DHEDMO CC#CCC[N@@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428922520 1020185231 /nfs/dbraw/zinc/18/52/31/1020185231.db2.gz CVMATRUUKJKZJR-CZUORRHYSA-N 1 1 311.347 3.881 20 30 DHEDMO CC#CCC[N@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000428922520 1020185239 /nfs/dbraw/zinc/18/52/39/1020185239.db2.gz CVMATRUUKJKZJR-CZUORRHYSA-N 1 1 311.347 3.881 20 30 DHEDMO C=CCc1cc(OCC)cc(C[N@H+]2C[C@@H](C)O[C@@H](CC)C2)c1O ZINC000732184998 1020209179 /nfs/dbraw/zinc/20/91/79/1020209179.db2.gz IUMPHJNBFWPLCO-PBHICJAKSA-N 1 1 319.445 3.519 20 30 DHEDMO CC[C@H](C)C[N@@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000732205528 1020213045 /nfs/dbraw/zinc/21/30/45/1020213045.db2.gz JKBTYZSOWJMKEM-HNNXBMFYSA-N 1 1 315.461 3.528 20 30 DHEDMO C=CC[N@H+](CC1CCCCC1)Cn1c2ccccc2oc1=O ZINC000732671825 1020266808 /nfs/dbraw/zinc/26/68/08/1020266808.db2.gz YBULWQUHJYRJCD-UHFFFAOYSA-N 1 1 300.402 3.620 20 30 DHEDMO C=CC[N@@H+](CC1CCCCC1)Cn1c2ccccc2oc1=O ZINC000732671825 1020266813 /nfs/dbraw/zinc/26/68/13/1020266813.db2.gz YBULWQUHJYRJCD-UHFFFAOYSA-N 1 1 300.402 3.620 20 30 DHEDMO N#CCC[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000125672960 1020340281 /nfs/dbraw/zinc/34/02/81/1020340281.db2.gz KUEXZKYJUDWATI-UHFFFAOYSA-N 1 1 313.228 3.998 20 30 DHEDMO N#Cc1cc(Br)c(Cl)cc1Nc1ccc[nH+]c1N ZINC001212408746 1020364586 /nfs/dbraw/zinc/36/45/86/1020364586.db2.gz LFWFUDMHQDVWBO-UHFFFAOYSA-N 1 1 323.581 3.695 20 30 DHEDMO CC[N@@H+](CCCOCC(F)(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000054340163 1020377635 /nfs/dbraw/zinc/37/76/35/1020377635.db2.gz HIJILSKHEXJNMW-CYBMUJFWSA-N 1 1 314.351 3.910 20 30 DHEDMO Cc1ccc(C#N)c(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000161750798 1020416011 /nfs/dbraw/zinc/41/60/11/1020416011.db2.gz DRGDXJRNLMKUSS-APWZRJJASA-N 1 1 320.440 3.727 20 30 DHEDMO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccc(C)c(C#N)c1)CC2 ZINC000625262946 1020435668 /nfs/dbraw/zinc/43/56/68/1020435668.db2.gz AVYMCKNPNCFHHT-UHFFFAOYSA-N 1 1 318.420 3.670 20 30 DHEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2csc(C#N)c2)C1 ZINC000921690764 1020472904 /nfs/dbraw/zinc/47/29/04/1020472904.db2.gz DILLLZSGVRPCIY-RHSMWYFYSA-N 1 1 311.454 3.545 20 30 DHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2csc(C#N)c2)C1 ZINC000921690764 1020472908 /nfs/dbraw/zinc/47/29/08/1020472908.db2.gz DILLLZSGVRPCIY-RHSMWYFYSA-N 1 1 311.454 3.545 20 30 DHEDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356132716 1020479500 /nfs/dbraw/zinc/47/95/00/1020479500.db2.gz VYFDHEPGNRACRP-MNOVXSKESA-N 1 1 314.376 3.903 20 30 DHEDMO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356132716 1020479494 /nfs/dbraw/zinc/47/94/94/1020479494.db2.gz VYFDHEPGNRACRP-MNOVXSKESA-N 1 1 314.376 3.903 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc(F)cc1C#N ZINC000301889432 1020523988 /nfs/dbraw/zinc/52/39/88/1020523988.db2.gz LIVRMNHVPJOMML-MRXNPFEDSA-N 1 1 323.415 3.798 20 30 DHEDMO Cc1cc(C)c(C#N)c(NC[C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000358922497 1020552561 /nfs/dbraw/zinc/55/25/61/1020552561.db2.gz RGJKKSLQSPPRAY-GOSISDBHSA-N 1 1 320.440 3.647 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1cnccn1 ZINC000091412162 1020563066 /nfs/dbraw/zinc/56/30/66/1020563066.db2.gz BYTGYQSTNCMWPV-OAHLLOKOSA-N 1 1 314.392 3.866 20 30 DHEDMO CC(C)[N@H+](Cc1noc2c1CCCC2)Cc1ccc(C#N)cc1 ZINC000108857309 1020568979 /nfs/dbraw/zinc/56/89/79/1020568979.db2.gz AIKVBRHAEASMAB-UHFFFAOYSA-N 1 1 309.413 3.836 20 30 DHEDMO CC(C)[N@@H+](Cc1noc2c1CCCC2)Cc1ccc(C#N)cc1 ZINC000108857309 1020568982 /nfs/dbraw/zinc/56/89/82/1020568982.db2.gz AIKVBRHAEASMAB-UHFFFAOYSA-N 1 1 309.413 3.836 20 30 DHEDMO C=CC[N@@H+]([C@@H]1CCCN(C(=O)c2ccccc2)CC1)C(C)(C)C ZINC001171907777 1032915986 /nfs/dbraw/zinc/91/59/86/1032915986.db2.gz ZLCCLXRNHGXLSY-GOSISDBHSA-N 1 1 314.473 3.968 20 30 DHEDMO CCCCCCC[C@H](C)CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000734269352 1020579144 /nfs/dbraw/zinc/57/91/44/1020579144.db2.gz IBNVLDTVKSWUCG-HOTGVXAUSA-N 1 1 309.498 3.519 20 30 DHEDMO N#Cc1cc(F)ccc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000303407585 1020581530 /nfs/dbraw/zinc/58/15/30/1020581530.db2.gz SNVSIUNOARFCCB-FQEVSTJZSA-N 1 1 324.399 3.643 20 30 DHEDMO Cc1ccccc1[C@H](C)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000136681665 1020590195 /nfs/dbraw/zinc/59/01/95/1020590195.db2.gz MPVPTNQBZGXEMS-KRWDZBQOSA-N 1 1 320.440 3.535 20 30 DHEDMO CC(C)c1csc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000125640816 1032917907 /nfs/dbraw/zinc/91/79/07/1032917907.db2.gz KDQBXMNCFMUVAJ-CYBMUJFWSA-N 1 1 315.442 3.847 20 30 DHEDMO C[N@H+]1CC[C@@H](CNc2c(C#N)cccc2C#N)[C@@H]1c1cccs1 ZINC000365462786 1020635110 /nfs/dbraw/zinc/63/51/10/1020635110.db2.gz PYVJTAXGOOUVLJ-MAUKXSAKSA-N 1 1 322.437 3.596 20 30 DHEDMO C[N@@H+](Cc1ccccc1O)Cc1cc(Cl)ccc1OCC#N ZINC000735309073 1020714906 /nfs/dbraw/zinc/71/49/06/1020714906.db2.gz FHVZYDNIQLHGOG-UHFFFAOYSA-N 1 1 316.788 3.580 20 30 DHEDMO C[C@H](C#N)C[N@H+](C)Cc1ccnc2c(Br)cccc12 ZINC000449018788 1020744370 /nfs/dbraw/zinc/74/43/70/1020744370.db2.gz UCISMDKTLATWCH-LLVKDONJSA-N 1 1 318.218 3.589 20 30 DHEDMO C[C@H](C#N)C[N@@H+](C)Cc1ccnc2c(Br)cccc12 ZINC000449018788 1020744374 /nfs/dbraw/zinc/74/43/74/1020744374.db2.gz UCISMDKTLATWCH-LLVKDONJSA-N 1 1 318.218 3.589 20 30 DHEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2ccc(C#N)s2)cc1 ZINC000180053248 1020746979 /nfs/dbraw/zinc/74/69/79/1020746979.db2.gz MLYZUMBDYWQRIS-CQSZACIVSA-N 1 1 314.454 3.939 20 30 DHEDMO COc1cc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)ccc1C#N ZINC000580101535 1020814823 /nfs/dbraw/zinc/81/48/23/1020814823.db2.gz WMGOPNCOLFWIOD-LJQANCHMSA-N 1 1 310.372 3.638 20 30 DHEDMO COc1cc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)ccc1C#N ZINC000580101535 1020814829 /nfs/dbraw/zinc/81/48/29/1020814829.db2.gz WMGOPNCOLFWIOD-LJQANCHMSA-N 1 1 310.372 3.638 20 30 DHEDMO C=CCn1c(C)nn(C[N@H+]2CCCC[C@@H]2[C@@H](C)CC)c1=S ZINC000738054945 1020858706 /nfs/dbraw/zinc/85/87/06/1020858706.db2.gz LODJYSBELYWYSF-DZGCQCFKSA-N 1 1 308.495 3.767 20 30 DHEDMO C=CCn1c(C)nn(C[N@@H+]2CCCC[C@@H]2[C@@H](C)CC)c1=S ZINC000738054945 1020858715 /nfs/dbraw/zinc/85/87/15/1020858715.db2.gz LODJYSBELYWYSF-DZGCQCFKSA-N 1 1 308.495 3.767 20 30 DHEDMO C#CC[N@H+](Cc1ccc(Br)cn1)C1CCCCC1 ZINC000738310051 1020872125 /nfs/dbraw/zinc/87/21/25/1020872125.db2.gz VJNKHKPGUZMZQI-UHFFFAOYSA-N 1 1 307.235 3.612 20 30 DHEDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000738342392 1020875836 /nfs/dbraw/zinc/87/58/36/1020875836.db2.gz VGDNOUFOHODUTL-CQSZACIVSA-N 1 1 310.372 3.847 20 30 DHEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000581223291 1020877362 /nfs/dbraw/zinc/87/73/62/1020877362.db2.gz LEPOILQPVLUOLG-MRXNPFEDSA-N 1 1 316.405 3.533 20 30 DHEDMO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1sccc1Cl ZINC000581690368 1020900092 /nfs/dbraw/zinc/90/00/92/1020900092.db2.gz GLCYLHJPUBFNFT-UHFFFAOYSA-N 1 1 320.845 3.922 20 30 DHEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1sccc1Cl ZINC000581690368 1020900095 /nfs/dbraw/zinc/90/00/95/1020900095.db2.gz GLCYLHJPUBFNFT-UHFFFAOYSA-N 1 1 320.845 3.922 20 30 DHEDMO C=CCCCCC[N@@H+](C)Cn1c2ccc(Cl)cc2oc1=O ZINC000739883799 1020919716 /nfs/dbraw/zinc/91/97/16/1020919716.db2.gz DGKCAPYZWFWRKR-UHFFFAOYSA-N 1 1 308.809 3.884 20 30 DHEDMO C=CCCCCC[N@H+](C)Cn1c2ccc(Cl)cc2oc1=O ZINC000739883799 1020919724 /nfs/dbraw/zinc/91/97/24/1020919724.db2.gz DGKCAPYZWFWRKR-UHFFFAOYSA-N 1 1 308.809 3.884 20 30 DHEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613431312 1020955418 /nfs/dbraw/zinc/95/54/18/1020955418.db2.gz VLSVBBJGMQOUDZ-QGZVFWFLSA-N 1 1 320.440 3.849 20 30 DHEDMO CCCCCCCCCC[NH+]1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000740877055 1020958636 /nfs/dbraw/zinc/95/86/36/1020958636.db2.gz WZLINKKZBDCSHW-MOPGFXCFSA-N 1 1 310.526 3.658 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000613471085 1020979140 /nfs/dbraw/zinc/97/91/40/1020979140.db2.gz UMVAFWJDOABJGI-QGZVFWFLSA-N 1 1 318.848 3.678 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000613471085 1020979149 /nfs/dbraw/zinc/97/91/49/1020979149.db2.gz UMVAFWJDOABJGI-QGZVFWFLSA-N 1 1 318.848 3.678 20 30 DHEDMO C=C[C@H](CC(=O)N[C@H](C)C[N@H+](C)CCCC)c1ccccc1 ZINC000685888414 1020986841 /nfs/dbraw/zinc/98/68/41/1020986841.db2.gz HIGRSRUSDBAFOA-IAGOWNOFSA-N 1 1 302.462 3.583 20 30 DHEDMO Cc1cc(C)cc(-c2ccc(C=NN3CC[NH+](C)CC3)cc2)c1 ZINC000741451979 1021011546 /nfs/dbraw/zinc/01/15/46/1021011546.db2.gz ZNYUUAOSWPENKA-UHFFFAOYSA-N 1 1 307.441 3.552 20 30 DHEDMO N#CCOc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000264525913 1032949892 /nfs/dbraw/zinc/94/98/92/1032949892.db2.gz BUSKAHGPBYLOEN-UHFFFAOYSA-N 1 1 317.392 3.625 20 30 DHEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)C1 ZINC000829785359 1021047741 /nfs/dbraw/zinc/04/77/41/1021047741.db2.gz UWURLDMCCKZKDM-OAHLLOKOSA-N 1 1 316.470 3.696 20 30 DHEDMO C#CC[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC000741781684 1021052689 /nfs/dbraw/zinc/05/26/89/1021052689.db2.gz ODLBQVREDTUGNL-INIZCTEOSA-N 1 1 320.477 3.511 20 30 DHEDMO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H](c2ccccc2)O1 ZINC000264535429 1032953123 /nfs/dbraw/zinc/95/31/23/1032953123.db2.gz FYOGSHPPDFPSCR-OXJNMPFZSA-N 1 1 322.408 3.551 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H](c2ccccc2)O1 ZINC000264535429 1032953132 /nfs/dbraw/zinc/95/31/32/1032953132.db2.gz FYOGSHPPDFPSCR-OXJNMPFZSA-N 1 1 322.408 3.551 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](CC=C)C(C)C ZINC000917167181 1021205956 /nfs/dbraw/zinc/20/59/56/1021205956.db2.gz YYTSKUYEQKSAHA-UHFFFAOYSA-N 1 1 304.459 3.800 20 30 DHEDMO C=CCSc1ccccc1NC(=O)C[N@H+](CC=C)C(C)C ZINC000917167181 1021205964 /nfs/dbraw/zinc/20/59/64/1021205964.db2.gz YYTSKUYEQKSAHA-UHFFFAOYSA-N 1 1 304.459 3.800 20 30 DHEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000091081660 1021260953 /nfs/dbraw/zinc/26/09/53/1021260953.db2.gz OVWRIUAXVKNWJJ-QGZVFWFLSA-N 1 1 313.832 3.869 20 30 DHEDMO CC(C)(S)C[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171982993 1032964072 /nfs/dbraw/zinc/96/40/72/1032964072.db2.gz LNTRUKBFMZYTQW-INIZCTEOSA-N 1 1 306.519 3.728 20 30 DHEDMO CC(C)(S)C[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171982994 1032965080 /nfs/dbraw/zinc/96/50/80/1032965080.db2.gz LNTRUKBFMZYTQW-MRXNPFEDSA-N 1 1 306.519 3.728 20 30 DHEDMO CC1(C)C[C@H](NC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001171977352 1032965467 /nfs/dbraw/zinc/96/54/67/1032965467.db2.gz AYAISQVRJNUHBS-GOSISDBHSA-N 1 1 311.473 3.856 20 30 DHEDMO CC(=[NH+]N[C@@H](C)c1ccc(C(C)C)cc1)c1csc(N)n1 ZINC000917551384 1021299314 /nfs/dbraw/zinc/29/93/14/1021299314.db2.gz IZQDLHNXUNQMRR-NSHDSACASA-N 1 1 302.447 3.924 20 30 DHEDMO C#C[C@H]1CCC[N@H+]([C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)C1 ZINC001171987707 1032971848 /nfs/dbraw/zinc/97/18/48/1032971848.db2.gz HUBGCDWZZAIIGK-AZUAARDMSA-N 1 1 310.485 3.775 20 30 DHEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)c1cccc(Cl)c1 ZINC000743842061 1021372341 /nfs/dbraw/zinc/37/23/41/1021372341.db2.gz AVXHEDMMRJNBIJ-SFHVURJKSA-N 1 1 317.791 3.648 20 30 DHEDMO C=C(Br)C[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000743854287 1021377249 /nfs/dbraw/zinc/37/72/49/1021377249.db2.gz RWUPIVQSNYEXSU-HNNXBMFYSA-N 1 1 309.251 3.798 20 30 DHEDMO C=C(Br)C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000743854287 1021377267 /nfs/dbraw/zinc/37/72/67/1021377267.db2.gz RWUPIVQSNYEXSU-HNNXBMFYSA-N 1 1 309.251 3.798 20 30 DHEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)CCc2ccccc2)c1 ZINC000917829848 1021379536 /nfs/dbraw/zinc/37/95/36/1021379536.db2.gz BILYQOXNCGSEHZ-KRWDZBQOSA-N 1 1 320.436 3.560 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001236862761 1021406053 /nfs/dbraw/zinc/40/60/53/1021406053.db2.gz YBGVRKRJBDGVMC-TXEJJXNPSA-N 1 1 307.235 3.799 20 30 DHEDMO COc1cc(C[N@@H+](CCCC#N)C2CC2)ccc1OC(F)F ZINC000053137794 1021415059 /nfs/dbraw/zinc/41/50/59/1021415059.db2.gz SNKDSAUHGZXOKS-UHFFFAOYSA-N 1 1 310.344 3.565 20 30 DHEDMO C[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccc(OCC#N)cc1 ZINC000182009579 1021435209 /nfs/dbraw/zinc/43/52/09/1021435209.db2.gz AHWJCSBIEGLESY-HNNXBMFYSA-N 1 1 324.428 3.751 20 30 DHEDMO C#CCCc1noc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CCC)n1 ZINC000858689024 1032983043 /nfs/dbraw/zinc/98/30/43/1032983043.db2.gz ZLCMTWDRGBCMHB-QZTJIDSGSA-N 1 1 323.440 3.651 20 30 DHEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cc(Cl)cc3c2OCC3)c1 ZINC000782963515 1021494952 /nfs/dbraw/zinc/49/49/52/1021494952.db2.gz ZFTMEPRLOJJPHQ-UHFFFAOYSA-N 1 1 316.763 3.575 20 30 DHEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(C#N)cc2F)C1 ZINC000538099571 1032984109 /nfs/dbraw/zinc/98/41/09/1032984109.db2.gz VQLBYOHOHOODSS-YOEHRIQHSA-N 1 1 309.388 3.945 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1nccn1-c1ccccc1 ZINC000618741152 1021500764 /nfs/dbraw/zinc/50/07/64/1021500764.db2.gz APIYCFYAMHYDRF-IBGZPJMESA-N 1 1 314.392 3.521 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1nccn1-c1ccccc1 ZINC000618741155 1021501144 /nfs/dbraw/zinc/50/11/44/1021501144.db2.gz APIYCFYAMHYDRF-LJQANCHMSA-N 1 1 314.392 3.521 20 30 DHEDMO CC[C@](C)(C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172063795 1032988430 /nfs/dbraw/zinc/98/84/30/1032988430.db2.gz DODCYDYDJMRIQX-IYWMVGAKSA-N 1 1 311.473 3.854 20 30 DHEDMO C=CCC1(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CCCC1 ZINC000556158412 1021576415 /nfs/dbraw/zinc/57/64/15/1021576415.db2.gz KLZUFRSOGIFITN-UHFFFAOYSA-N 1 1 306.494 3.702 20 30 DHEDMO COc1ccc(C[C@H](C)C[N@H+]2CCC[C@@](C)(C#N)C2)cc1F ZINC000613620661 1021577334 /nfs/dbraw/zinc/57/73/34/1021577334.db2.gz HILOWRFUOAIGLH-KSSFIOAISA-N 1 1 304.409 3.639 20 30 DHEDMO C=CCOc1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1Cl ZINC000129903340 1021582354 /nfs/dbraw/zinc/58/23/54/1021582354.db2.gz SCEHULSXBSZKHH-OAHLLOKOSA-N 1 1 321.848 3.906 20 30 DHEDMO C(#Cc1ccccc1)CNC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000892738164 1021588729 /nfs/dbraw/zinc/58/87/29/1021588729.db2.gz SIHAZLDNKVOIKL-LJQANCHMSA-N 1 1 324.493 3.601 20 30 DHEDMO C(#Cc1ccccc1)C[NH2+]C[C@H]1CCCN(Cc2cccs2)C1 ZINC000892738164 1021588743 /nfs/dbraw/zinc/58/87/43/1021588743.db2.gz SIHAZLDNKVOIKL-LJQANCHMSA-N 1 1 324.493 3.601 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000538147123 1033000514 /nfs/dbraw/zinc/00/05/14/1033000514.db2.gz DYTYWQKLZZDJIR-HUUCEWRRSA-N 1 1 306.416 3.937 20 30 DHEDMO N#Cc1cc2ccccc2nc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000858780091 1033000596 /nfs/dbraw/zinc/00/05/96/1033000596.db2.gz ILFAZINDGVHWDZ-QGZVFWFLSA-N 1 1 306.413 3.535 20 30 DHEDMO CC1(C)C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000763568382 1021742896 /nfs/dbraw/zinc/74/28/96/1021742896.db2.gz XNDMZGQKHNROOO-RTBURBONSA-N 1 1 306.409 3.675 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC(N2CCCCC2)C1 ZINC000619466105 1021763887 /nfs/dbraw/zinc/76/38/87/1021763887.db2.gz MXENALJIHKASHL-AFMYVXGZSA-N 1 1 309.457 3.542 20 30 DHEDMO CC[N@H+](CCc1cc(Cl)c2c(c1)OCCCO2)C[C@H](C)C#N ZINC000182743628 1021785067 /nfs/dbraw/zinc/78/50/67/1021785067.db2.gz OBTMMKVLQUTJPW-CYBMUJFWSA-N 1 1 322.836 3.525 20 30 DHEDMO CC[N@@H+](CCc1cc(Cl)c2c(c1)OCCCO2)C[C@H](C)C#N ZINC000182743628 1021785074 /nfs/dbraw/zinc/78/50/74/1021785074.db2.gz OBTMMKVLQUTJPW-CYBMUJFWSA-N 1 1 322.836 3.525 20 30 DHEDMO C[N@H+]1CCC[C@H](CNCC#Cc2ccccc2)[C@H]1c1cccs1 ZINC000893018116 1021803027 /nfs/dbraw/zinc/80/30/27/1021803027.db2.gz CJQAKSRPEAIPQW-QUCCMNQESA-N 1 1 324.493 3.772 20 30 DHEDMO CN1CCC[C@H](C[NH2+]CC#Cc2ccccc2)[C@H]1c1cccs1 ZINC000893018116 1021803041 /nfs/dbraw/zinc/80/30/41/1021803041.db2.gz CJQAKSRPEAIPQW-QUCCMNQESA-N 1 1 324.493 3.772 20 30 DHEDMO COc1cc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)ccc1C#N ZINC000619674393 1021825054 /nfs/dbraw/zinc/82/50/54/1021825054.db2.gz AWRBOVUDESQIKH-HXUWFJFHSA-N 1 1 322.408 3.530 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1nc2ccccc2n1C ZINC000619754622 1021865497 /nfs/dbraw/zinc/86/54/97/1021865497.db2.gz GCXNQIMLDOHUOT-GFCCVEGCSA-N 1 1 324.815 3.949 20 30 DHEDMO Cc1noc([C@H]2CCCC[N@@H+]2CCC2(C#N)CCCCC2)n1 ZINC000556820337 1021875857 /nfs/dbraw/zinc/87/58/57/1021875857.db2.gz GBIYEMQUCKTXNY-OAHLLOKOSA-N 1 1 302.422 3.769 20 30 DHEDMO Cc1noc([C@H]2CCCC[N@H+]2CCC2(C#N)CCCCC2)n1 ZINC000556820337 1021875877 /nfs/dbraw/zinc/87/58/77/1021875877.db2.gz GBIYEMQUCKTXNY-OAHLLOKOSA-N 1 1 302.422 3.769 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2nccn2-c2ccccc2)cc1Cl ZINC000619748200 1021885849 /nfs/dbraw/zinc/88/58/49/1021885849.db2.gz AGGHCBKBXRBUBZ-UHFFFAOYSA-N 1 1 322.799 3.687 20 30 DHEDMO N#Cc1ccc(C[NH2+]Cc2cc(F)c(F)cc2F)cc1Cl ZINC000619748917 1021886762 /nfs/dbraw/zinc/88/67/62/1021886762.db2.gz SKJWYGJWKOOULN-UHFFFAOYSA-N 1 1 310.706 3.919 20 30 DHEDMO Cn1cc(C[N@H+](C)Cc2cccc(C#N)c2)c(C2CCCCC2)n1 ZINC000182987049 1021921486 /nfs/dbraw/zinc/92/14/86/1021921486.db2.gz ABSLMNVBEHZHCX-UHFFFAOYSA-N 1 1 322.456 3.971 20 30 DHEDMO Cn1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c(C2CCCCC2)n1 ZINC000182987049 1021921490 /nfs/dbraw/zinc/92/14/90/1021921490.db2.gz ABSLMNVBEHZHCX-UHFFFAOYSA-N 1 1 322.456 3.971 20 30 DHEDMO C[C@H](C1CCCCC1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000556958034 1021978493 /nfs/dbraw/zinc/97/84/93/1021978493.db2.gz BFXDTMHFTIQCII-OAHLLOKOSA-N 1 1 313.445 3.787 20 30 DHEDMO C[N@@H+](CCc1cccc(NCc2cc(C#N)cs2)c1)C1CC1 ZINC000341261890 1022068850 /nfs/dbraw/zinc/06/88/50/1022068850.db2.gz DVRBDSZXYKPNKR-UHFFFAOYSA-N 1 1 311.454 3.869 20 30 DHEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(COc2ccc(F)cc2)n1 ZINC000852098409 1022073128 /nfs/dbraw/zinc/07/31/28/1022073128.db2.gz METHRJXUHPBHJK-QGZVFWFLSA-N 1 1 318.417 3.753 20 30 DHEDMO C[N@@H+](CC[C@H]1CCc2ccccc21)C[C@@H](O)c1cccc(C#N)c1 ZINC000852210564 1022090109 /nfs/dbraw/zinc/09/01/09/1022090109.db2.gz HTOYRJZEHHGFGV-WIYYLYMNSA-N 1 1 320.436 3.644 20 30 DHEDMO C#CC[N@H+](CC)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000746457809 1022110801 /nfs/dbraw/zinc/11/08/01/1022110801.db2.gz QURBLJIWTGHZLK-INIZCTEOSA-N 1 1 306.409 3.955 20 30 DHEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000852332848 1022110818 /nfs/dbraw/zinc/11/08/18/1022110818.db2.gz WHCQKUVKMXZHGN-HXUWFJFHSA-N 1 1 323.415 3.711 20 30 DHEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000852332848 1022110825 /nfs/dbraw/zinc/11/08/25/1022110825.db2.gz WHCQKUVKMXZHGN-HXUWFJFHSA-N 1 1 323.415 3.711 20 30 DHEDMO Cc1ncsc1CC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076152672 1022113339 /nfs/dbraw/zinc/11/33/39/1022113339.db2.gz KXIWQFROXZGYGT-DLBZAZTESA-N 1 1 311.454 3.766 20 30 DHEDMO C[C@H]1CCC[N@@H+](CCC(C)(C)C#N)[C@H]1CNC(=O)OC(C)(C)C ZINC000776588623 1022115205 /nfs/dbraw/zinc/11/52/05/1022115205.db2.gz ADONTEUAAPOTGB-GJZGRUSLSA-N 1 1 323.481 3.551 20 30 DHEDMO Cc1ncsc1CC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076152674 1022116637 /nfs/dbraw/zinc/11/66/37/1022116637.db2.gz KXIWQFROXZGYGT-IRXDYDNUSA-N 1 1 311.454 3.766 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc(OC)ccc23)C1 ZINC000852412245 1022117905 /nfs/dbraw/zinc/11/79/05/1022117905.db2.gz ZYMWRHUVRQHLMG-AWEZNQCLSA-N 1 1 313.397 3.590 20 30 DHEDMO C#CCCC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000852468495 1022123653 /nfs/dbraw/zinc/12/36/53/1022123653.db2.gz PIPRSCNOOCOFQR-CJNGLKHVSA-N 1 1 322.246 3.624 20 30 DHEDMO COc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000076152530 1022132962 /nfs/dbraw/zinc/13/29/62/1022132962.db2.gz DVEXAGDBNIRTOM-VQTJNVASSA-N 1 1 306.409 3.967 20 30 DHEDMO COc1cccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000076152530 1022132969 /nfs/dbraw/zinc/13/29/69/1022132969.db2.gz DVEXAGDBNIRTOM-VQTJNVASSA-N 1 1 306.409 3.967 20 30 DHEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000852532945 1022135905 /nfs/dbraw/zinc/13/59/05/1022135905.db2.gz MPHSXIGEKFVBNW-CYBMUJFWSA-N 1 1 310.800 3.814 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000852686373 1022158152 /nfs/dbraw/zinc/15/81/52/1022158152.db2.gz SKAKDRZNISCNGY-OWCLPIDISA-N 1 1 311.347 3.922 20 30 DHEDMO C=CCOc1ccccc1CNCC[N@H+](C)C1CCCCC1 ZINC000620514214 1022171589 /nfs/dbraw/zinc/17/15/89/1022171589.db2.gz AUULANNVCKKFBY-UHFFFAOYSA-N 1 1 302.462 3.606 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc2c(c1)CCCO2 ZINC000852780063 1022176801 /nfs/dbraw/zinc/17/68/01/1022176801.db2.gz DXFAZKLGYLELTF-ZDUSSCGKSA-N 1 1 310.372 3.873 20 30 DHEDMO CCCCCCCCCC(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC001168928951 1022195889 /nfs/dbraw/zinc/19/58/89/1022195889.db2.gz DPHHQWIPNDDVEA-KDURUIRLSA-N 1 1 308.510 3.927 20 30 DHEDMO Cc1cc(C)nc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000930159066 1022264447 /nfs/dbraw/zinc/26/44/47/1022264447.db2.gz QXYGJXNUXTXQDK-UHFFFAOYSA-N 1 1 303.409 3.859 20 30 DHEDMO C=C1CC(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3C[C@@H](CC)CCCC)C1 ZINC001272708759 1022277763 /nfs/dbraw/zinc/27/77/63/1022277763.db2.gz DAFKBWZZLQJBAC-WDSOQIARSA-N 1 1 318.505 3.844 20 30 DHEDMO CCC[C@H](C#N)N(C)C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000339172453 1022296888 /nfs/dbraw/zinc/29/68/88/1022296888.db2.gz MPWBWKYTELSVDL-GOSISDBHSA-N 1 1 315.461 3.681 20 30 DHEDMO Cc1ccsc1C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001204024900 1022366807 /nfs/dbraw/zinc/36/68/07/1022366807.db2.gz QLJBUGLGEMGFTN-KRWDZBQOSA-N 1 1 312.438 3.972 20 30 DHEDMO C#C[C@H](C)[N@@H+](C)Cc1c(O)ccc2cc(Br)ccc21 ZINC000766666602 1022380819 /nfs/dbraw/zinc/38/08/19/1022380819.db2.gz XNEUSLQKDUWWEQ-NSHDSACASA-N 1 1 318.214 3.761 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c(F)c1 ZINC000609916310 1022381737 /nfs/dbraw/zinc/38/17/37/1022381737.db2.gz IRQFBEXBAJRYRL-INIZCTEOSA-N 1 1 312.363 3.901 20 30 DHEDMO CC1(C)C[N@@H+](CCCOc2ccc(C#N)cc2)[C@H]1c1cccnc1 ZINC000854040330 1022395031 /nfs/dbraw/zinc/39/50/31/1022395031.db2.gz QFEDOLCHUMTWBD-IBGZPJMESA-N 1 1 321.424 3.805 20 30 DHEDMO Cc1ccc(C[C@H](C)[N@@H+](C)CCOc2ccc(C#N)cc2)cc1 ZINC000610003555 1022400643 /nfs/dbraw/zinc/40/06/43/1022400643.db2.gz OLSFQLHCEAGAKY-KRWDZBQOSA-N 1 1 308.425 3.809 20 30 DHEDMO Cc1cc(C[NH2+]C[C@@H](C)C#N)cc(C)c1OCc1ccccn1 ZINC000183838841 1022459248 /nfs/dbraw/zinc/45/92/48/1022459248.db2.gz IPYDWBQWIZKLMF-AWEZNQCLSA-N 1 1 309.413 3.527 20 30 DHEDMO N#CCCOCC[N@H+](Cc1ccccc1F)C1CCCCC1 ZINC000338961642 1022503386 /nfs/dbraw/zinc/50/33/86/1022503386.db2.gz BKCLYLNXMCDERK-UHFFFAOYSA-N 1 1 304.409 3.891 20 30 DHEDMO Cc1ccccc1[C@]1(F)CC[N@H+](CCOc2ccccc2C#N)C1 ZINC001169715204 1022517778 /nfs/dbraw/zinc/51/77/78/1022517778.db2.gz JOFCZTZUGJTBSE-FQEVSTJZSA-N 1 1 324.399 3.816 20 30 DHEDMO Cc1ccccc1[C@]1(F)CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC001169715204 1022517785 /nfs/dbraw/zinc/51/77/85/1022517785.db2.gz JOFCZTZUGJTBSE-FQEVSTJZSA-N 1 1 324.399 3.816 20 30 DHEDMO C#CCOc1ccccc1C[NH2+]Cc1ccccc1OCC1CC1 ZINC000236688763 1022545768 /nfs/dbraw/zinc/54/57/68/1022545768.db2.gz VIMSBWAPEJVIMX-UHFFFAOYSA-N 1 1 321.420 3.777 20 30 DHEDMO C=CC[C@H]1[N@H+](Cc2cnnn2-c2ccccc2)CCCC1(C)C ZINC001169844217 1022562450 /nfs/dbraw/zinc/56/24/50/1022562450.db2.gz MFSZLHFKCHORGG-GOSISDBHSA-N 1 1 310.445 3.834 20 30 DHEDMO CCCCCCCC[N@@H+](C)C1CCC(S(C)(=O)=O)CC1 ZINC001169885308 1022570782 /nfs/dbraw/zinc/57/07/82/1022570782.db2.gz PUVMQSQSRLDWDK-UHFFFAOYSA-N 1 1 303.512 3.635 20 30 DHEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000616133121 1022642326 /nfs/dbraw/zinc/64/23/26/1022642326.db2.gz YWTJDIDEHWIDIS-CVEARBPZSA-N 1 1 323.415 3.969 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000616135059 1022645590 /nfs/dbraw/zinc/64/55/90/1022645590.db2.gz HEWPQTLXKTYRBF-HOTGVXAUSA-N 1 1 323.415 3.969 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000616135059 1022645596 /nfs/dbraw/zinc/64/55/96/1022645596.db2.gz HEWPQTLXKTYRBF-HOTGVXAUSA-N 1 1 323.415 3.969 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000125963007 1033071076 /nfs/dbraw/zinc/07/10/76/1033071076.db2.gz UQZUXUBLGRPDGU-KRWDZBQOSA-N 1 1 313.445 3.528 20 30 DHEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H]2C2CC2)cc1OC ZINC000628297621 1022674111 /nfs/dbraw/zinc/67/41/11/1022674111.db2.gz GFSJNWDYVONHJJ-HNNXBMFYSA-N 1 1 307.821 3.898 20 30 DHEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H]2C2CC2)cc1OC ZINC000628297621 1022674117 /nfs/dbraw/zinc/67/41/17/1022674117.db2.gz GFSJNWDYVONHJJ-HNNXBMFYSA-N 1 1 307.821 3.898 20 30 DHEDMO Cc1ccccc1O[C@H]1CC[N@H+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172305753 1033075453 /nfs/dbraw/zinc/07/54/53/1033075453.db2.gz FXURDBYRDBBRCY-XLIONFOSSA-N 1 1 320.436 3.951 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001172307299 1033075649 /nfs/dbraw/zinc/07/56/49/1033075649.db2.gz NQYZDYHJIXLBPK-DYESRHJHSA-N 1 1 320.436 3.780 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001172304950 1033076466 /nfs/dbraw/zinc/07/64/66/1033076466.db2.gz BOVANBUEBDZZAE-OXQOHEQNSA-N 1 1 306.409 3.563 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001172304906 1033076532 /nfs/dbraw/zinc/07/65/32/1033076532.db2.gz BFPIXKPHWKOJFP-QRWLVFNGSA-N 1 1 324.399 3.782 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001172305721 1033076771 /nfs/dbraw/zinc/07/67/71/1033076771.db2.gz FPWFCTQMQCIBTK-APWZRJJASA-N 1 1 305.425 3.764 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](CCN(C)C)Cc1ccccc1 ZINC001172309131 1033077863 /nfs/dbraw/zinc/07/78/63/1033077863.db2.gz RGKIGXNTPYUAQF-GOSISDBHSA-N 1 1 321.468 3.553 20 30 DHEDMO C[C@H](Cc1ccc(C#N)cc1)N(CC[NH+](C)C)Cc1ccccc1 ZINC001172309131 1033077873 /nfs/dbraw/zinc/07/78/73/1033077873.db2.gz RGKIGXNTPYUAQF-GOSISDBHSA-N 1 1 321.468 3.553 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCS[C@H](c3ccccc3)C2)cc1F ZINC000616756144 1022766105 /nfs/dbraw/zinc/76/61/05/1022766105.db2.gz LLQDTWWKTGOPKZ-SFHVURJKSA-N 1 1 312.413 3.987 20 30 DHEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001172316660 1033081905 /nfs/dbraw/zinc/08/19/05/1033081905.db2.gz WGMGBJKTIIFZGY-NILFDRSVSA-N 1 1 314.326 3.569 20 30 DHEDMO Cc1ccn2cc(C[N@H+](C)[C@H](C)Cc3ccc(C#N)cc3)nc2c1 ZINC001172315048 1033081990 /nfs/dbraw/zinc/08/19/90/1033081990.db2.gz IYMRDHDRMXFHTR-MRXNPFEDSA-N 1 1 318.424 3.577 20 30 DHEDMO C=CCC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617008762 1022824970 /nfs/dbraw/zinc/82/49/70/1022824970.db2.gz LOCKHAZSKACMGW-QZTJIDSGSA-N 1 1 314.473 3.725 20 30 DHEDMO Cc1c(C[N@H+](CCC#N)CC(C)C)sc2nc(C)nc(C)c12 ZINC000768155223 1022906493 /nfs/dbraw/zinc/90/64/93/1022906493.db2.gz WFOUZQVNAVNMRO-UHFFFAOYSA-N 1 1 316.474 3.988 20 30 DHEDMO CC1(C)CC([N@H+](CCC#N)Cc2ccccc2)CC(C)(C)N1O ZINC001169987898 1022909576 /nfs/dbraw/zinc/90/95/76/1022909576.db2.gz GCGAENDPBFKPPP-UHFFFAOYSA-N 1 1 315.461 3.813 20 30 DHEDMO CC1(C)CC([N@@H+](CCC#N)Cc2ccccc2)CC(C)(C)N1O ZINC001169987898 1022909585 /nfs/dbraw/zinc/90/95/85/1022909585.db2.gz GCGAENDPBFKPPP-UHFFFAOYSA-N 1 1 315.461 3.813 20 30 DHEDMO CCCc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)s1 ZINC000857049613 1022934961 /nfs/dbraw/zinc/93/49/61/1022934961.db2.gz NBZKDCQPCOFCIK-GOSISDBHSA-N 1 1 314.454 3.738 20 30 DHEDMO C=CCCCCNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857182719 1022964129 /nfs/dbraw/zinc/96/41/29/1022964129.db2.gz NEDFWBQPPXBOLL-GOSISDBHSA-N 1 1 300.446 3.582 20 30 DHEDMO COc1ccc(C[NH2+]CC2(C#N)CCC2)cc1OCC(C)C ZINC000418144374 1022969293 /nfs/dbraw/zinc/96/92/93/1022969293.db2.gz SZKYVGMEDYTLJP-UHFFFAOYSA-N 1 1 302.418 3.513 20 30 DHEDMO Cc1cc(C[NH2+]CC2(C#N)CCC2)ccc1Oc1cccnc1 ZINC000418138589 1022969497 /nfs/dbraw/zinc/96/94/97/1022969497.db2.gz GNDAPWUIWYCLPD-UHFFFAOYSA-N 1 1 307.397 3.966 20 30 DHEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(OC(C)(C)C)cc2)no1 ZINC001212324928 1023000108 /nfs/dbraw/zinc/00/01/08/1023000108.db2.gz COFWSAGCHIPZAO-HNNXBMFYSA-N 1 1 313.401 3.717 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCNc1ncc(C#N)c2ccccc21 ZINC001167750613 1023019337 /nfs/dbraw/zinc/01/93/37/1023019337.db2.gz ARPVTALLLCVIRH-HNNXBMFYSA-N 1 1 308.429 3.783 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCNc1ncc2ccccc2c1C#N ZINC001167752779 1023036806 /nfs/dbraw/zinc/03/68/06/1023036806.db2.gz ZNQBYEKIYXOYMH-HNNXBMFYSA-N 1 1 308.429 3.783 20 30 DHEDMO C[C@H]1CCCC[N@H+]1CCCNc1cccc2[nH]cc(CC#N)c21 ZINC001167752925 1023038490 /nfs/dbraw/zinc/03/84/90/1023038490.db2.gz JBPYFXKUORBGGJ-HNNXBMFYSA-N 1 1 310.445 3.910 20 30 DHEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1 ZINC000768879777 1023046402 /nfs/dbraw/zinc/04/64/02/1023046402.db2.gz XFGAECCNBBKNJP-SFHVURJKSA-N 1 1 310.397 3.722 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(N(C)C)c(F)c1 ZINC000769108109 1023083884 /nfs/dbraw/zinc/08/38/84/1023083884.db2.gz ZBFCCYCUVMDGCQ-UHFFFAOYSA-N 1 1 323.415 3.952 20 30 DHEDMO C=CCCC[N@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000769463191 1023160038 /nfs/dbraw/zinc/16/00/38/1023160038.db2.gz NYFYZLJOQCANAH-UHFFFAOYSA-N 1 1 310.482 3.922 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)COC2 ZINC000769549438 1023177552 /nfs/dbraw/zinc/17/75/52/1023177552.db2.gz RMSRHGZTUVPTOE-NHCUHLMSSA-N 1 1 318.420 3.989 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc2c(c1)COC2 ZINC000769549438 1023177554 /nfs/dbraw/zinc/17/75/54/1023177554.db2.gz RMSRHGZTUVPTOE-NHCUHLMSSA-N 1 1 318.420 3.989 20 30 DHEDMO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCCCC(C)(C)C#N ZINC000769727459 1023201304 /nfs/dbraw/zinc/20/13/04/1023201304.db2.gz WCDYTDAWFGEXAT-HNNXBMFYSA-N 1 1 323.481 3.648 20 30 DHEDMO C#CC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000769787188 1023213596 /nfs/dbraw/zinc/21/35/96/1023213596.db2.gz PPZBGMOQQSHEHD-MRXNPFEDSA-N 1 1 304.315 3.955 20 30 DHEDMO C[N@H+](Cc1cc(Cl)ccc1F)C[C@H](O)c1ccc(C#N)cc1 ZINC000769854015 1023218831 /nfs/dbraw/zinc/21/88/31/1023218831.db2.gz LQJAHCNKFCOHFD-KRWDZBQOSA-N 1 1 318.779 3.516 20 30 DHEDMO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000769846918 1023226951 /nfs/dbraw/zinc/22/69/51/1023226951.db2.gz RGMBAOVBYBPULD-MJVIPROJSA-N 1 1 316.792 3.733 20 30 DHEDMO C=CC[C@@H]1[N@H+](Cc2cn(Cc3ccccc3)nn2)CCCC1(C)C ZINC000769952194 1023242739 /nfs/dbraw/zinc/24/27/39/1023242739.db2.gz AOOFVRBENOSEBB-IBGZPJMESA-N 1 1 324.472 3.893 20 30 DHEDMO C#CCCOc1ccc(C[N@H+](C)Cc2cc(Cl)cn2C)cc1 ZINC000770305030 1023294617 /nfs/dbraw/zinc/29/46/17/1023294617.db2.gz RHEJJMUEQVQKPW-UHFFFAOYSA-N 1 1 316.832 3.713 20 30 DHEDMO CC(C)C[N@@H+](C[C@H](C)CCC#N)C[C@H](O)c1ccc(F)cc1 ZINC000876746136 1033131470 /nfs/dbraw/zinc/13/14/70/1033131470.db2.gz TVBULWABKCECJM-QAPCUYQASA-N 1 1 306.425 3.757 20 30 DHEDMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2N(C)C)n1 ZINC000876739113 1033132050 /nfs/dbraw/zinc/13/20/50/1033132050.db2.gz FKUJPXYGGMASRU-HXUWFJFHSA-N 1 1 320.440 3.665 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000876738430 1033132520 /nfs/dbraw/zinc/13/25/20/1033132520.db2.gz DKLOIAUBQLOMMQ-BZUAXINKSA-N 1 1 323.481 3.551 20 30 DHEDMO C=CC[N@H+](Cc1nc(-c2cccs2)oc1C)[C@H](C)COC ZINC000661246907 1023542259 /nfs/dbraw/zinc/54/22/59/1023542259.db2.gz LADCBTJHODJKPO-GFCCVEGCSA-N 1 1 306.431 3.734 20 30 DHEDMO C=CC[N@@H+](Cc1nc(-c2cccs2)oc1C)[C@H](C)COC ZINC000661246907 1023542277 /nfs/dbraw/zinc/54/22/77/1023542277.db2.gz LADCBTJHODJKPO-GFCCVEGCSA-N 1 1 306.431 3.734 20 30 DHEDMO C#CC[N@H+](Cc1ccc(OC)c(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000772599305 1023577073 /nfs/dbraw/zinc/57/70/73/1023577073.db2.gz PDFPQASOSUOZQE-HXUWFJFHSA-N 1 1 316.404 3.690 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2OCC)C1 ZINC000661383197 1023583461 /nfs/dbraw/zinc/58/34/61/1023583461.db2.gz ZBDGTKVKLCDEPE-INIZCTEOSA-N 1 1 316.445 3.702 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000661383231 1023583648 /nfs/dbraw/zinc/58/36/48/1023583648.db2.gz ZLEXECDQWFZRNS-LBPRGKRZSA-N 1 1 317.820 3.777 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000661383231 1023583650 /nfs/dbraw/zinc/58/36/50/1023583650.db2.gz ZLEXECDQWFZRNS-LBPRGKRZSA-N 1 1 317.820 3.777 20 30 DHEDMO C=CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2F)C1 ZINC000661378785 1023584290 /nfs/dbraw/zinc/58/42/90/1023584290.db2.gz MAEPFYBUYYTICL-STQMWFEESA-N 1 1 308.372 3.580 20 30 DHEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(F)cc2F)C1 ZINC000661378785 1023584295 /nfs/dbraw/zinc/58/42/95/1023584295.db2.gz MAEPFYBUYYTICL-STQMWFEESA-N 1 1 308.372 3.580 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000661386805 1023586274 /nfs/dbraw/zinc/58/62/74/1023586274.db2.gz UXQAJRKHUGTOAB-CYBMUJFWSA-N 1 1 301.365 3.664 20 30 DHEDMO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CC1(C#N)CCCC1 ZINC000594606696 1023596423 /nfs/dbraw/zinc/59/64/23/1023596423.db2.gz NPJNOUHWDHCOCA-UHFFFAOYSA-N 1 1 308.429 3.663 20 30 DHEDMO C=CCCCCC[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000785676035 1023602457 /nfs/dbraw/zinc/60/24/57/1023602457.db2.gz MYDHKRSXTSJKGT-INIZCTEOSA-N 1 1 310.482 3.922 20 30 DHEDMO C=CCCCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000785764545 1023616502 /nfs/dbraw/zinc/61/65/02/1023616502.db2.gz UIEZTJVTVCIUNQ-HOTGVXAUSA-N 1 1 310.482 3.968 20 30 DHEDMO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000785764549 1023616876 /nfs/dbraw/zinc/61/68/76/1023616876.db2.gz UIEZTJVTVCIUNQ-JKSUJKDBSA-N 1 1 310.482 3.968 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](OC(C)C)C2)cc1OC ZINC000651897361 1023619987 /nfs/dbraw/zinc/61/99/87/1023619987.db2.gz YVVWUYZZHUTYPS-QGZVFWFLSA-N 1 1 319.445 3.649 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](OC(C)C)C2)cc1OC ZINC000651897360 1023620105 /nfs/dbraw/zinc/62/01/05/1023620105.db2.gz YVVWUYZZHUTYPS-KRWDZBQOSA-N 1 1 319.445 3.649 20 30 DHEDMO C=CCCCCC[N@@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000785797237 1023625262 /nfs/dbraw/zinc/62/52/62/1023625262.db2.gz NSDORYLIFDZRHE-HZPDHXFCSA-N 1 1 310.482 3.968 20 30 DHEDMO C=CCCCCC[N@@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000785797240 1023625271 /nfs/dbraw/zinc/62/52/71/1023625271.db2.gz NSDORYLIFDZRHE-JKSUJKDBSA-N 1 1 310.482 3.968 20 30 DHEDMO C[N@@H+](CC/N=C/c1cc(Cl)ccc1O)Cc1ccccc1 ZINC000066887664 1023645731 /nfs/dbraw/zinc/64/57/31/1023645731.db2.gz CPLMZCULRUNJIY-XDHOZWIPSA-N 1 1 302.805 3.597 20 30 DHEDMO C=CCCC[C@@H](C(=O)N1CC[N@H+](CC)[C@@H](C)C1)c1ccccc1 ZINC001137569137 1023658552 /nfs/dbraw/zinc/65/85/52/1023658552.db2.gz RRHYMPIGPFGTHG-PKOBYXMFSA-N 1 1 314.473 3.679 20 30 DHEDMO C=CCCC[C@H](C(=O)N1CC[N@H+](CC)[C@H](C)C1)c1ccccc1 ZINC001137569136 1023658867 /nfs/dbraw/zinc/65/88/67/1023658867.db2.gz RRHYMPIGPFGTHG-MJGOQNOKSA-N 1 1 314.473 3.679 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000595616097 1023659884 /nfs/dbraw/zinc/65/98/84/1023659884.db2.gz PHBLSMUQMPEBTP-INIZCTEOSA-N 1 1 321.424 3.794 20 30 DHEDMO C=CC[N@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)C(C)(C)C ZINC000661756064 1023730214 /nfs/dbraw/zinc/73/02/14/1023730214.db2.gz BOCQZGBPOGMJTG-UHFFFAOYSA-N 1 1 310.825 3.574 20 30 DHEDMO C=CC[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)C(C)(C)C ZINC000661757367 1023730271 /nfs/dbraw/zinc/73/02/71/1023730271.db2.gz GZINAPSRSJLFJH-HNNXBMFYSA-N 1 1 304.459 3.776 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1OC)C(C)(C)C ZINC000661756302 1023731044 /nfs/dbraw/zinc/73/10/44/1023731044.db2.gz JJELIDVTTJTLQD-OAHLLOKOSA-N 1 1 318.461 3.501 20 30 DHEDMO C[C@H](CCC#N)CNc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000876838036 1033163448 /nfs/dbraw/zinc/16/34/48/1033163448.db2.gz VMAMGQIRRAPJIS-SJORKVTESA-N 1 1 315.461 3.759 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000487375647 1023869657 /nfs/dbraw/zinc/86/96/57/1023869657.db2.gz YXBIYQHQENTKQO-UHFFFAOYSA-N 1 1 306.409 3.752 20 30 DHEDMO Cc1ccc2nc(-c3ccc(F)cc3)c(C[NH2+]C[C@H](C)C#N)n2c1 ZINC000893543374 1023882136 /nfs/dbraw/zinc/88/21/36/1023882136.db2.gz AUCIZDGYLQAJGL-CQSZACIVSA-N 1 1 322.387 3.698 20 30 DHEDMO COc1cc(NN=Cc2[nH+]c(C)n3ccccc23)ccc1Cl ZINC000788467691 1023890047 /nfs/dbraw/zinc/89/00/47/1023890047.db2.gz MDOPCFZRRQGXBO-UHFFFAOYSA-N 1 1 314.776 3.751 20 30 DHEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000662082989 1023894563 /nfs/dbraw/zinc/89/45/63/1023894563.db2.gz ZBRXSAGEZUEPRJ-BMFZPTHFSA-N 1 1 316.470 3.919 20 30 DHEDMO C=C(Br)CSCC[N@H+](C)Cc1ccccc1 ZINC000788507722 1023897108 /nfs/dbraw/zinc/89/71/08/1023897108.db2.gz DCBUVZHWMFQVJV-UHFFFAOYSA-N 1 1 300.265 3.760 20 30 DHEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)c(F)c1 ZINC000788662504 1023921783 /nfs/dbraw/zinc/92/17/83/1023921783.db2.gz DGGUNTGQLMAVGR-AWEZNQCLSA-N 1 1 301.752 3.523 20 30 DHEDMO COc1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000093872414 1023942561 /nfs/dbraw/zinc/94/25/61/1023942561.db2.gz DENRQACNRDGMEW-RBUKOAKNSA-N 1 1 306.409 3.967 20 30 DHEDMO COc1ccccc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000093872414 1023942566 /nfs/dbraw/zinc/94/25/66/1023942566.db2.gz DENRQACNRDGMEW-RBUKOAKNSA-N 1 1 306.409 3.967 20 30 DHEDMO CCSCC[C@H](C)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000093871005 1023943356 /nfs/dbraw/zinc/94/33/56/1023943356.db2.gz VVGRUUDZAJMHPU-INIZCTEOSA-N 1 1 319.518 4.000 20 30 DHEDMO C=CCN(C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)C(C)C ZINC000746773274 1023949875 /nfs/dbraw/zinc/94/98/75/1023949875.db2.gz GTAUMRDIXDETDB-KRWDZBQOSA-N 1 1 317.477 3.503 20 30 DHEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075837614 1023957612 /nfs/dbraw/zinc/95/76/12/1023957612.db2.gz LXMLICMIDDSTTH-KMFMINBZSA-N 1 1 322.412 3.761 20 30 DHEDMO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](CC)CC(C)C ZINC001172389611 1033176187 /nfs/dbraw/zinc/17/61/87/1033176187.db2.gz OFYKRISVOBQYGO-ROUUACIJSA-N 1 1 303.446 3.741 20 30 DHEDMO C=CCCC[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000882235432 1024005961 /nfs/dbraw/zinc/00/59/61/1024005961.db2.gz OYHFUVXZBWGDMB-WDSOQIARSA-N 1 1 314.473 3.931 20 30 DHEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000266581809 1024042215 /nfs/dbraw/zinc/04/22/15/1024042215.db2.gz IESHKQZDLVGKMR-INIZCTEOSA-N 1 1 324.424 3.661 20 30 DHEDMO CC(C)(C#N)CCC[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000266911026 1024045518 /nfs/dbraw/zinc/04/55/18/1024045518.db2.gz DGCYTPSOFAZBIH-SFHVURJKSA-N 1 1 300.446 3.688 20 30 DHEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@H](C)c1cccc(O)c1 ZINC000266969616 1024046899 /nfs/dbraw/zinc/04/68/99/1024046899.db2.gz ZNPRSNLRMZKOGC-OAHLLOKOSA-N 1 1 310.397 3.878 20 30 DHEDMO C[C@@H](c1cccc(NCCCC(C)(C)C#N)c1)[NH+]1CCOCC1 ZINC000268617205 1024132128 /nfs/dbraw/zinc/13/21/28/1024132128.db2.gz XVIXLWRJKMFPDO-INIZCTEOSA-N 1 1 315.461 3.822 20 30 DHEDMO CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000268637930 1024135827 /nfs/dbraw/zinc/13/58/27/1024135827.db2.gz CWUVCBYDMYBPQV-QRWLVFNGSA-N 1 1 324.424 3.683 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268642376 1024137211 /nfs/dbraw/zinc/13/72/11/1024137211.db2.gz DSUBKPJDARSWGW-DJKXOVBDSA-N 1 1 324.399 3.609 20 30 DHEDMO CCS[C@H]1CCCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000264920104 1033191155 /nfs/dbraw/zinc/19/11/55/1033191155.db2.gz LZJDCLJIRSKBHT-KRWDZBQOSA-N 1 1 304.459 3.697 20 30 DHEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2F)C2CC2)cc1 ZINC000053906524 1024148411 /nfs/dbraw/zinc/14/84/11/1024148411.db2.gz NJJVEBYGEDNIIV-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2F)C2CC2)cc1 ZINC000053906524 1024148421 /nfs/dbraw/zinc/14/84/21/1024148421.db2.gz NJJVEBYGEDNIIV-UHFFFAOYSA-N 1 1 310.372 3.871 20 30 DHEDMO CN(CCC#N)c1ccc(C[N@H+]2CCSC(C)(C)CC2)cc1 ZINC000789763159 1024157780 /nfs/dbraw/zinc/15/77/80/1024157780.db2.gz FSOZJEQYBGXDOL-UHFFFAOYSA-N 1 1 317.502 3.754 20 30 DHEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H](C)CCc2ccccc2)n1 ZINC000789761981 1024158175 /nfs/dbraw/zinc/15/81/75/1024158175.db2.gz OBNKMROCIPBNIC-SFHVURJKSA-N 1 1 309.457 3.607 20 30 DHEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000268968314 1024206009 /nfs/dbraw/zinc/20/60/09/1024206009.db2.gz KUKQZYZSIGUYLT-ZWKOTPCHSA-N 1 1 300.446 3.613 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000268975223 1024210798 /nfs/dbraw/zinc/21/07/98/1024210798.db2.gz NGMSEMIOOYJWBU-GOSISDBHSA-N 1 1 311.473 3.548 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000268975223 1024210814 /nfs/dbraw/zinc/21/08/14/1024210814.db2.gz NGMSEMIOOYJWBU-GOSISDBHSA-N 1 1 311.473 3.548 20 30 DHEDMO C#CCCOc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000130770246 1024216884 /nfs/dbraw/zinc/21/68/84/1024216884.db2.gz CBNMNFUYVYEOAF-UHFFFAOYSA-N 1 1 304.393 3.592 20 30 DHEDMO Cc1cccnc1N=NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000790184730 1024247125 /nfs/dbraw/zinc/24/71/25/1024247125.db2.gz AYUVZXSELHQCRJ-KDURUIRLSA-N 1 1 320.440 3.985 20 30 DHEDMO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CC[C@H](C)C3)C2)CC1 ZINC001170132606 1024266822 /nfs/dbraw/zinc/26/68/22/1024266822.db2.gz NYADFPJBNBJBMH-DLBZAZTESA-N 1 1 320.477 3.676 20 30 DHEDMO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CC[C@@H](C)C3)C2)CC1 ZINC001170132607 1024267899 /nfs/dbraw/zinc/26/78/99/1024267899.db2.gz NYADFPJBNBJBMH-IAGOWNOFSA-N 1 1 320.477 3.676 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1CC[C@@H](C)C1)[C@@H]2CC ZINC001170139437 1024321522 /nfs/dbraw/zinc/32/15/22/1024321522.db2.gz UXPBNHUCWRSOHH-NTDBWNAOSA-N 1 1 304.478 3.597 20 30 DHEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001253227288 1024352198 /nfs/dbraw/zinc/35/21/98/1024352198.db2.gz GBOHUIVUFHMDEI-CABCVRRESA-N 1 1 307.400 3.943 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCCC1 ZINC000105423848 1024370305 /nfs/dbraw/zinc/37/03/05/1024370305.db2.gz FRHWNBZPNWZOPM-UHFFFAOYSA-N 1 1 319.836 3.805 20 30 DHEDMO C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cccc(C#N)c1 ZINC000790970384 1024409983 /nfs/dbraw/zinc/40/99/83/1024409983.db2.gz HLHCVOVNMKQJRG-JTQLQIEISA-N 1 1 304.752 3.907 20 30 DHEDMO N#Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)cc1 ZINC000271096500 1024455297 /nfs/dbraw/zinc/45/52/97/1024455297.db2.gz MGKXPQAPAXULQO-UHFFFAOYSA-N 1 1 324.399 3.879 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](OC)C1CCCCC1 ZINC000660537912 1024465174 /nfs/dbraw/zinc/46/51/74/1024465174.db2.gz MXRWIZVEJXLQPZ-IBGZPJMESA-N 1 1 321.461 3.745 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)s1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000271192950 1024468956 /nfs/dbraw/zinc/46/89/56/1024468956.db2.gz MOQAOBYIVQWHJG-OAGGEKHMSA-N 1 1 304.459 3.645 20 30 DHEDMO CC(C)c1nc(C2CC[NH+](Cc3ccc(C#N)s3)CC2)no1 ZINC000271192448 1024469028 /nfs/dbraw/zinc/46/90/28/1024469028.db2.gz SOJWAIMLYUCJTD-UHFFFAOYSA-N 1 1 316.430 3.506 20 30 DHEDMO C[C@@H](c1ccc(C#N)c(F)c1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000453353574 1024477835 /nfs/dbraw/zinc/47/78/35/1024477835.db2.gz JPMBGSNBQZWUSS-GUYCJALGSA-N 1 1 304.434 3.977 20 30 DHEDMO C[C@H](c1ccc(C#N)c(F)c1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000453353573 1024478467 /nfs/dbraw/zinc/47/84/67/1024478467.db2.gz JPMBGSNBQZWUSS-DYVFJYSZSA-N 1 1 304.434 3.977 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000791565350 1024524291 /nfs/dbraw/zinc/52/42/91/1024524291.db2.gz AMWVMSDGLZADSO-FQEVSTJZSA-N 1 1 306.409 3.670 20 30 DHEDMO CCn1c(C[NH2+][C@H](C)c2ccc(C#N)cc2)nc2c1cccc2F ZINC000271623375 1024551673 /nfs/dbraw/zinc/55/16/73/1024551673.db2.gz DCYIAIQXQBJKHC-CYBMUJFWSA-N 1 1 322.387 3.918 20 30 DHEDMO COc1ccc(Br)c(C[N@H+](C)[C@H]2CC[C@@H](C#N)C2)c1 ZINC000339123923 1024569713 /nfs/dbraw/zinc/56/97/13/1024569713.db2.gz GXVSZLBEXYVNNL-YPMHNXCESA-N 1 1 323.234 3.582 20 30 DHEDMO COc1ccc(Br)c(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)c1 ZINC000339123923 1024569724 /nfs/dbraw/zinc/56/97/24/1024569724.db2.gz GXVSZLBEXYVNNL-YPMHNXCESA-N 1 1 323.234 3.582 20 30 DHEDMO CCCC#CC(=O)N1CC2(C1)CC[N@H+](C[C@@H](CC)CCCC)C2 ZINC001274653504 1024611253 /nfs/dbraw/zinc/61/12/53/1024611253.db2.gz BNZGODIGEZRUKP-SFHVURJKSA-N 1 1 318.505 3.541 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001172496548 1033225953 /nfs/dbraw/zinc/22/59/53/1033225953.db2.gz NUJXSBRXASIEMS-YJBOKZPZSA-N 1 1 321.465 3.544 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001172496594 1033226003 /nfs/dbraw/zinc/22/60/03/1033226003.db2.gz OISGCTHFFICQEG-YJBOKZPZSA-N 1 1 321.465 3.544 20 30 DHEDMO COCC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000792193414 1024646100 /nfs/dbraw/zinc/64/61/00/1024646100.db2.gz VHLBLRSPDRCUNB-JFIYKMOQSA-N 1 1 316.445 3.614 20 30 DHEDMO N#CCOc1ccc(C[N@@H+]2CCc3cc(Cl)ccc3C2)cc1 ZINC000792307635 1024658845 /nfs/dbraw/zinc/65/88/45/1024658845.db2.gz OMCWXXSDEDTRHM-UHFFFAOYSA-N 1 1 312.800 3.801 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2CCc3cc(Cl)ccc3C2)cc1 ZINC000792307635 1024658850 /nfs/dbraw/zinc/65/88/50/1024658850.db2.gz OMCWXXSDEDTRHM-UHFFFAOYSA-N 1 1 312.800 3.801 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001172500874 1033228651 /nfs/dbraw/zinc/22/86/51/1033228651.db2.gz BLRVTVFUWQQZLN-MAUKXSAKSA-N 1 1 323.481 3.696 20 30 DHEDMO CCOc1cc2c(cc1OCC)C[N@H+]([C@H](C)CCCC#N)CC2 ZINC001172498102 1033228456 /nfs/dbraw/zinc/22/84/56/1033228456.db2.gz IUPVFLLVZARBBK-OAHLLOKOSA-N 1 1 316.445 3.924 20 30 DHEDMO CC1(C)CCCN(c2cc[nH+]c(N[C@H]3CC[C@H](C#N)CC3)n2)C1 ZINC001167843225 1024680232 /nfs/dbraw/zinc/68/02/32/1024680232.db2.gz ZBZKNFUGCOWGHB-SHTZXODSSA-N 1 1 313.449 3.597 20 30 DHEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000475727702 1024684002 /nfs/dbraw/zinc/68/40/02/1024684002.db2.gz PGYKFZKSPMDRGL-AGIUHOORSA-N 1 1 319.836 3.517 20 30 DHEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000475727704 1024685066 /nfs/dbraw/zinc/68/50/66/1024685066.db2.gz PGYKFZKSPMDRGL-JHJVBQTASA-N 1 1 319.836 3.517 20 30 DHEDMO C[C@H](CCCC#N)[NH+]1CCN([C@H]2CCCc3ccccc32)CC1 ZINC001172498095 1033228884 /nfs/dbraw/zinc/22/88/84/1033228884.db2.gz IPRWBRRRXKRZRN-XLIONFOSSA-N 1 1 311.473 3.764 20 30 DHEDMO C[N@H+]1CCCC[C@H]1c1ccc(NCc2ccc(C#N)s2)nc1 ZINC001170200083 1024699486 /nfs/dbraw/zinc/69/94/86/1024699486.db2.gz VLJHQVARTXDSRF-INIZCTEOSA-N 1 1 312.442 3.784 20 30 DHEDMO C[C@@H](CCCC#N)[N@H+]1CCO[C@@](C)(c2ccc(Cl)cc2)C1 ZINC001172500366 1033230462 /nfs/dbraw/zinc/23/04/62/1033230462.db2.gz MYXFKDXVPAWVMQ-WMLDXEAASA-N 1 1 306.837 3.970 20 30 DHEDMO COC(=O)c1cccc([C@H]2CCC[N@H+]2[C@@H](C)CCCC#N)c1 ZINC001172505360 1033233908 /nfs/dbraw/zinc/23/39/08/1033233908.db2.gz LXFQUNVNXIVPOW-WMLDXEAASA-N 1 1 300.402 3.692 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1cc2c(c(OC)c1)OCO2 ZINC000349524117 1024724087 /nfs/dbraw/zinc/72/40/87/1024724087.db2.gz RTTNRFHCYXGAGE-UHFFFAOYSA-N 1 1 317.410 3.674 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc2c(c(OC)c1)OCO2 ZINC000349524117 1024724093 /nfs/dbraw/zinc/72/40/93/1024724093.db2.gz RTTNRFHCYXGAGE-UHFFFAOYSA-N 1 1 317.410 3.674 20 30 DHEDMO C[C@H](Cc1ccccc1Cl)[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001170277287 1024734923 /nfs/dbraw/zinc/73/49/23/1024734923.db2.gz RVVBPPXIXSJHMK-ABAIWWIYSA-N 1 1 307.846 3.545 20 30 DHEDMO C[C@H](Cc1ccccc1Cl)[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001170277287 1024734929 /nfs/dbraw/zinc/73/49/29/1024734929.db2.gz RVVBPPXIXSJHMK-ABAIWWIYSA-N 1 1 307.846 3.545 20 30 DHEDMO CCCCCCCC[C@@H](CC)[N@H+]1Cc2ccnn2CC[C@@H]1CO ZINC001172501906 1033233037 /nfs/dbraw/zinc/23/30/37/1033233037.db2.gz MWHOZRFKTONNNW-IEBWSBKVSA-N 1 1 321.509 3.979 20 30 DHEDMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C#N)cc1F)CCC2 ZINC000111312442 1024752160 /nfs/dbraw/zinc/75/21/60/1024752160.db2.gz OEZBXURNFUHORO-MRXNPFEDSA-N 1 1 315.417 3.972 20 30 DHEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(C#N)cc1F)CCC2 ZINC000111312442 1024752170 /nfs/dbraw/zinc/75/21/70/1024752170.db2.gz OEZBXURNFUHORO-MRXNPFEDSA-N 1 1 315.417 3.972 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCc3ncsc3C2)CC1 ZINC001170388777 1024760969 /nfs/dbraw/zinc/76/09/69/1024760969.db2.gz FCXFVMHTWRDLGG-UHFFFAOYSA-N 1 1 323.465 3.905 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@H]3OCC[C@H]3C2)CC1 ZINC001170396406 1024764099 /nfs/dbraw/zinc/76/40/99/1024764099.db2.gz ZOFONMRPCPTUCY-OXHPOLQJSA-N 1 1 310.441 3.501 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@H]3OCC[C@@H]3C2)CC1 ZINC001170396402 1024764287 /nfs/dbraw/zinc/76/42/87/1024764287.db2.gz ZOFONMRPCPTUCY-IHJVYAAUSA-N 1 1 310.441 3.501 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC001170378764 1024765271 /nfs/dbraw/zinc/76/52/71/1024765271.db2.gz KNJYLFBOFKTCHW-MAKTXDPSSA-N 1 1 324.468 3.891 20 30 DHEDMO C[N@@H+](Cc1ccncc1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378421 1024765502 /nfs/dbraw/zinc/76/55/02/1024765502.db2.gz AOUMGRAVRWJKOY-UHFFFAOYSA-N 1 1 305.425 3.918 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@H]3CCCO[C@H]3C2)CC1 ZINC001170382869 1024768388 /nfs/dbraw/zinc/76/83/88/1024768388.db2.gz GDBFJBDPWPXHSV-AFVILVPDSA-N 1 1 324.468 3.891 20 30 DHEDMO N#CC1(c2ccccc2)CCC([N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)CC1 ZINC001170405674 1024769440 /nfs/dbraw/zinc/76/94/40/1024769440.db2.gz NGTQKNCFWBOKND-OHESCVLLSA-N 1 1 322.452 3.692 20 30 DHEDMO CCCCCCC[C@H](CCC)[N@H+]1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001172509238 1033238161 /nfs/dbraw/zinc/23/81/61/1033238161.db2.gz UHOKUNUTGLOVGU-YDZRNGNQSA-N 1 1 311.510 3.987 20 30 DHEDMO C[C@H](CCCC#N)[N@@H+](C)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001172509893 1033238260 /nfs/dbraw/zinc/23/82/60/1033238260.db2.gz SMDJJNKTWSUIIY-PMPSAXMXSA-N 1 1 323.481 3.836 20 30 DHEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001172511249 1033238668 /nfs/dbraw/zinc/23/86/68/1033238668.db2.gz PFQFWBSQTUHDNM-HOTGVXAUSA-N 1 1 303.512 3.635 20 30 DHEDMO C[C@H](CCCC#N)[NH+]1CC(Oc2ccc(C(F)(F)F)cc2)C1 ZINC001172504901 1033235657 /nfs/dbraw/zinc/23/56/57/1033235657.db2.gz IUHQERVEEZZMQX-GFCCVEGCSA-N 1 1 312.335 3.851 20 30 DHEDMO N#CCc1ccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931911066 1024827010 /nfs/dbraw/zinc/82/70/10/1024827010.db2.gz KGXIZIUPFNAKDG-AWEZNQCLSA-N 1 1 312.310 3.619 20 30 DHEDMO CCCCCCC[C@@H](C)C(=O)N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001274928796 1024878628 /nfs/dbraw/zinc/87/86/28/1024878628.db2.gz RCTVQBSIOUSZSJ-KURKYZTESA-N 1 1 308.510 3.783 20 30 DHEDMO C#CC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C[C@@H](CC)CCCC ZINC001274982505 1024884207 /nfs/dbraw/zinc/88/42/07/1024884207.db2.gz UTACEJZAHAJMLP-BZSNNMDCSA-N 1 1 318.505 3.537 20 30 DHEDMO C=C(C)CN1c2ccccc2[C@]2(CC[N@H+](C[C@H](C)CC)C2)C1=O ZINC001275070260 1024904153 /nfs/dbraw/zinc/90/41/53/1024904153.db2.gz XQEUWSYHSJSODK-OXQOHEQNSA-N 1 1 312.457 3.599 20 30 DHEDMO C=C(C)CN1c2ccccc2[C@]2(CC[N@H+](CCCCC)C2)C1=O ZINC001275105288 1024915195 /nfs/dbraw/zinc/91/51/95/1024915195.db2.gz CEMAVTSNAIOBCP-HXUWFJFHSA-N 1 1 312.457 3.743 20 30 DHEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2c(F)cncc2F)cc1 ZINC000353145461 1024966886 /nfs/dbraw/zinc/96/68/86/1024966886.db2.gz WQCKKAOXTBPXFJ-GFCCVEGCSA-N 1 1 304.340 3.775 20 30 DHEDMO COc1cc2c(cc1C[NH2+][C@H](CCC#N)c1ccccc1)OCO2 ZINC000353152995 1024969773 /nfs/dbraw/zinc/96/97/73/1024969773.db2.gz PVNFZLWYBBVAHH-MRXNPFEDSA-N 1 1 324.380 3.559 20 30 DHEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(F)c(C#N)c1)CCC2 ZINC000120754533 1025053141 /nfs/dbraw/zinc/05/31/41/1025053141.db2.gz FHFYDMXTQJVTAI-INIZCTEOSA-N 1 1 315.417 3.972 20 30 DHEDMO COc1cc(C#N)ccc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000121182262 1025078714 /nfs/dbraw/zinc/07/87/14/1025078714.db2.gz GDRDHRRQPJGMII-UHFFFAOYSA-N 1 1 312.335 3.731 20 30 DHEDMO C=CCCCCC[C@H](C)[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000793551885 1025094716 /nfs/dbraw/zinc/09/47/16/1025094716.db2.gz WFWMHUMDFNORGK-DFQSSKMNSA-N 1 1 322.537 3.869 20 30 DHEDMO C=CC[N@@H+](Cc1cnn(CC(F)(F)F)c1)Cc1cccs1 ZINC000349522444 1025103358 /nfs/dbraw/zinc/10/33/58/1025103358.db2.gz NBIGPPAFZUBFEI-UHFFFAOYSA-N 1 1 315.364 3.695 20 30 DHEDMO C=CC[N@H+](Cc1cnn(CC(F)(F)F)c1)Cc1cccs1 ZINC000349522444 1025103361 /nfs/dbraw/zinc/10/33/61/1025103361.db2.gz NBIGPPAFZUBFEI-UHFFFAOYSA-N 1 1 315.364 3.695 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1O ZINC000793531932 1025110780 /nfs/dbraw/zinc/11/07/80/1025110780.db2.gz QYQPNJYNJDDHBN-WBVHZDCISA-N 1 1 323.383 3.606 20 30 DHEDMO C[C@]12CC[N@H+](Cc3cc(C#N)cs3)C[C@H]1C2(Cl)Cl ZINC000793617958 1025132287 /nfs/dbraw/zinc/13/22/87/1025132287.db2.gz ZCYZOGMNJVSFPC-NEPJUHHUSA-N 1 1 301.242 3.635 20 30 DHEDMO C[C@]12CC[N@@H+](Cc3cc(C#N)cs3)C[C@H]1C2(Cl)Cl ZINC000793617958 1025132290 /nfs/dbraw/zinc/13/22/90/1025132290.db2.gz ZCYZOGMNJVSFPC-NEPJUHHUSA-N 1 1 301.242 3.635 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1 ZINC000793615537 1025132323 /nfs/dbraw/zinc/13/23/23/1025132323.db2.gz STRQBNWGTWBWGB-JKSUJKDBSA-N 1 1 324.251 3.714 20 30 DHEDMO CN(Cc1ccccc1C#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000351963718 1025228978 /nfs/dbraw/zinc/22/89/78/1025228978.db2.gz GNWBYSHSVOOELS-NRFANRHFSA-N 1 1 319.452 3.655 20 30 DHEDMO N#CCOc1ccc(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000859930181 1033269486 /nfs/dbraw/zinc/26/94/86/1033269486.db2.gz REUATUQMZZDSPW-SESVDKBCSA-N 1 1 318.420 3.824 20 30 DHEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H]1C ZINC001168202052 1025266575 /nfs/dbraw/zinc/26/65/75/1025266575.db2.gz QEKKCBKKBSIYTB-ZIAGYGMSSA-N 1 1 311.347 3.915 20 30 DHEDMO CC#CCCCCCCCC(=O)N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001274165162 1033273629 /nfs/dbraw/zinc/27/36/29/1033273629.db2.gz YZOFUQDZKOPKTC-KDURUIRLSA-N 1 1 318.505 3.541 20 30 DHEDMO CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885931185 1025410955 /nfs/dbraw/zinc/41/09/55/1025410955.db2.gz PWWJFVMHFUJRGV-LBPRGKRZSA-N 1 1 312.866 3.668 20 30 DHEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885937930 1025413092 /nfs/dbraw/zinc/41/30/92/1025413092.db2.gz NDJUFHHXMAVIJF-XJKSGUPXSA-N 1 1 306.837 3.778 20 30 DHEDMO C[N@H+](Cc1csc2ccccc12)C[C@@H](O)CC1(C#N)CCC1 ZINC000885953783 1025416993 /nfs/dbraw/zinc/41/69/93/1025416993.db2.gz GABCAQBAOIECSN-HNNXBMFYSA-N 1 1 314.454 3.778 20 30 DHEDMO C=CCCCCC[N@H+]1CCC[C@@]2(CCN(CC=C)C2=O)CC1 ZINC001275325603 1025427487 /nfs/dbraw/zinc/42/74/87/1025427487.db2.gz PRXDLMOROFXUIM-IBGZPJMESA-N 1 1 304.478 3.623 20 30 DHEDMO C=CCCCCC[N@H+]1CC[C@]2(C1)c1ccccc1N(CC=C)C2=O ZINC001275325631 1025427530 /nfs/dbraw/zinc/42/75/30/1025427530.db2.gz QFEACGYLRGZOJV-NRFANRHFSA-N 1 1 324.468 3.909 20 30 DHEDMO C=CCCCCCC[N@@H+]1CCC[C@@]12CCN(CCCC)C2=O ZINC001275328919 1025437093 /nfs/dbraw/zinc/43/70/93/1025437093.db2.gz GZCPVSPNZFPQPZ-IBGZPJMESA-N 1 1 306.494 3.990 20 30 DHEDMO C=CCCCCCC[N@@H+]1CCC[C@]12CCN([C@H](C)CC)C2=O ZINC001275329301 1025439965 /nfs/dbraw/zinc/43/99/65/1025439965.db2.gz RSJOXEKORNFVOF-IEBWSBKVSA-N 1 1 306.494 3.988 20 30 DHEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886015270 1025440598 /nfs/dbraw/zinc/44/05/98/1025440598.db2.gz ZLVPNILWONRESU-KSZLIROESA-N 1 1 312.457 3.618 20 30 DHEDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@H](O)CC2(C#N)CCC2)o1 ZINC000886028598 1025444537 /nfs/dbraw/zinc/44/45/37/1025444537.db2.gz TUQRBMPFQQCQOE-OIISXLGYSA-N 1 1 316.445 3.806 20 30 DHEDMO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000354791352 1025506765 /nfs/dbraw/zinc/50/67/65/1025506765.db2.gz LYYHBKQVBBJDFX-GFCCVEGCSA-N 1 1 317.339 3.748 20 30 DHEDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000354791352 1025506772 /nfs/dbraw/zinc/50/67/72/1025506772.db2.gz LYYHBKQVBBJDFX-GFCCVEGCSA-N 1 1 317.339 3.748 20 30 DHEDMO Cc1cc(C)cc([C@H]2CC[N@@H+](C[C@@H](O)CC3(C#N)CCC3)C2)c1 ZINC000886125188 1025516597 /nfs/dbraw/zinc/51/65/97/1025516597.db2.gz KWGBMXNLZXCCON-HKUYNNGSSA-N 1 1 312.457 3.538 20 30 DHEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)CCC1 ZINC000886120743 1025517558 /nfs/dbraw/zinc/51/75/58/1025517558.db2.gz MQOHGZIWKVTIRK-MYQPPDNISA-N 1 1 310.441 3.609 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000126960266 1025525887 /nfs/dbraw/zinc/52/58/87/1025525887.db2.gz LNKIOQHDQHSVPD-HKUYNNGSSA-N 1 1 314.404 3.569 20 30 DHEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886207517 1025558377 /nfs/dbraw/zinc/55/83/77/1025558377.db2.gz FENJDFUWNZDGRC-WMZOPIPTSA-N 1 1 316.445 3.523 20 30 DHEDMO CC(C)[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@H](C)c1ccccc1 ZINC000886215489 1025559651 /nfs/dbraw/zinc/55/96/51/1025559651.db2.gz KYWGWVGMCMHGTE-AEFFLSMTSA-N 1 1 300.446 3.903 20 30 DHEDMO CC(C)[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@H](C)c1ccsc1 ZINC000886252305 1025570680 /nfs/dbraw/zinc/57/06/80/1025570680.db2.gz ZLNVNIVVFCDTLB-ZBFHGGJFSA-N 1 1 306.475 3.964 20 30 DHEDMO N#CC1(C[C@@H](O)C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)CCC1 ZINC000886247730 1025571166 /nfs/dbraw/zinc/57/11/66/1025571166.db2.gz ZNLGKDWQOABEHB-MOPGFXCFSA-N 1 1 324.468 3.701 20 30 DHEDMO CSc1ccc(C[NH2+]Cc2nc3c(s2)CCC3)cc1C#N ZINC000886277209 1025577936 /nfs/dbraw/zinc/57/79/36/1025577936.db2.gz KJRLTJZTJJLYIC-UHFFFAOYSA-N 1 1 315.467 3.515 20 30 DHEDMO C=CCCC1(C(=O)NCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000355041178 1025589502 /nfs/dbraw/zinc/58/95/02/1025589502.db2.gz PJZFFJHNZPUHJA-UHFFFAOYSA-N 1 1 300.446 3.501 20 30 DHEDMO C#CC[C@H]1CC[N@H+](Cc2coc(-c3ccc(OCC)cc3)n2)C1 ZINC000886362626 1025602408 /nfs/dbraw/zinc/60/24/08/1025602408.db2.gz GWDYKIYEXYMDBN-HNNXBMFYSA-N 1 1 310.397 3.586 20 30 DHEDMO N#Cc1ccsc1NC(=O)C[N@@H+](CC1CC1)C1CCCCC1 ZINC000069079271 1025665234 /nfs/dbraw/zinc/66/52/34/1025665234.db2.gz OUFYGMKQLAPWFL-UHFFFAOYSA-N 1 1 317.458 3.603 20 30 DHEDMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000805763314 1025675199 /nfs/dbraw/zinc/67/51/99/1025675199.db2.gz YFFQRAMFXUTTRE-INIZCTEOSA-N 1 1 323.481 3.649 20 30 DHEDMO CC[C@H](c1ccccc1OC)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000805835442 1025677878 /nfs/dbraw/zinc/67/78/78/1025677878.db2.gz MTNLRNSZVKYMQB-RTBURBONSA-N 1 1 324.424 3.683 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cccc4c3OCO4)CC2)cc1 ZINC000355357532 1025690524 /nfs/dbraw/zinc/69/05/24/1025690524.db2.gz VJSBZRPBDGWTCS-UHFFFAOYSA-N 1 1 318.376 3.576 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000521470110 1025700607 /nfs/dbraw/zinc/70/06/07/1025700607.db2.gz BFZUIUWILZZZCP-SFHVURJKSA-N 1 1 312.457 3.879 20 30 DHEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)N[C@H](CCC)c1ccccc1 ZINC000355461265 1025730609 /nfs/dbraw/zinc/73/06/09/1025730609.db2.gz XSCXLFFSAZJLBU-FUHWJXTLSA-N 1 1 300.446 3.707 20 30 DHEDMO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072607237 1025759490 /nfs/dbraw/zinc/75/94/90/1025759490.db2.gz KEHZVUKSFXBAID-OKILXGFUSA-N 1 1 317.458 3.504 20 30 DHEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072607237 1025759504 /nfs/dbraw/zinc/75/95/04/1025759504.db2.gz KEHZVUKSFXBAID-OKILXGFUSA-N 1 1 317.458 3.504 20 30 DHEDMO CCCCC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000486801331 1025766965 /nfs/dbraw/zinc/76/69/65/1025766965.db2.gz QTVNXTHBEHQAOC-QGZVFWFLSA-N 1 1 313.445 3.932 20 30 DHEDMO Cn1cc(C[N@@H+](C)[C@H]2CCC(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000355583651 1025774922 /nfs/dbraw/zinc/77/49/22/1025774922.db2.gz NYSPDKXXDIJHFA-SFHVURJKSA-N 1 1 322.456 3.969 20 30 DHEDMO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC1CCC1 ZINC000355600914 1025783180 /nfs/dbraw/zinc/78/31/80/1025783180.db2.gz RGNFNFDGJVICGW-UHFFFAOYSA-N 1 1 308.429 3.581 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC(C)(C)OCC2(C)C)cc1 ZINC000614167602 1025792674 /nfs/dbraw/zinc/79/26/74/1025792674.db2.gz VWDRMCUUTYJYRP-UHFFFAOYSA-N 1 1 300.446 3.877 20 30 DHEDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168670 1025792820 /nfs/dbraw/zinc/79/28/20/1025792820.db2.gz ORVQBCYPIIOOSP-LJQANCHMSA-N 1 1 313.489 3.794 20 30 DHEDMO CSc1ccc(C[NH2+][C@H]2CCCc3scnc32)cc1C#N ZINC000886692230 1025799704 /nfs/dbraw/zinc/79/97/04/1025799704.db2.gz UQIVMINHHDQRHM-ZDUSSCGKSA-N 1 1 315.467 3.904 20 30 DHEDMO C=C(Br)C[N@H+]1CCC[C@@H](Cc2nc(C)cs2)C1 ZINC000886696602 1025807276 /nfs/dbraw/zinc/80/72/76/1025807276.db2.gz RLGBPESCJLDXPT-LBPRGKRZSA-N 1 1 315.280 3.615 20 30 DHEDMO C=C(Br)C[N@@H+]1CCC[C@@H](Cc2nc(C)cs2)C1 ZINC000886696602 1025807291 /nfs/dbraw/zinc/80/72/91/1025807291.db2.gz RLGBPESCJLDXPT-LBPRGKRZSA-N 1 1 315.280 3.615 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000614176081 1025809400 /nfs/dbraw/zinc/80/94/00/1025809400.db2.gz AKKGZBQXRUHINO-ZWKOTPCHSA-N 1 1 312.457 3.736 20 30 DHEDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000614182460 1025822668 /nfs/dbraw/zinc/82/26/68/1025822668.db2.gz SGMMLPUHJYAJOB-UHFFFAOYSA-N 1 1 322.452 3.791 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000614182252 1025824267 /nfs/dbraw/zinc/82/42/67/1025824267.db2.gz JQSPNBVPIJAJQZ-OAHLLOKOSA-N 1 1 308.372 3.691 20 30 DHEDMO C[N@@H+](CCCSCC#N)Cc1ccc(N2CCCCC2)cc1 ZINC000074981029 1025829554 /nfs/dbraw/zinc/82/95/54/1025829554.db2.gz HYJMAXKLIUCLMS-UHFFFAOYSA-N 1 1 317.502 3.756 20 30 DHEDMO C[N@@H+](CCCSCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000074980962 1025829765 /nfs/dbraw/zinc/82/97/65/1025829765.db2.gz XQGPPPHUCHJLQX-UHFFFAOYSA-N 1 1 318.364 3.664 20 30 DHEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2OC)cc1 ZINC000120473893 1025920319 /nfs/dbraw/zinc/92/03/19/1025920319.db2.gz VLYFKCOIHYTYEF-AWEZNQCLSA-N 1 1 310.397 3.768 20 30 DHEDMO N#Cc1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c(C(F)(F)F)c1 ZINC000356087347 1025942874 /nfs/dbraw/zinc/94/28/74/1025942874.db2.gz NRPMWDRYXMCNHT-CYBMUJFWSA-N 1 1 324.346 3.578 20 30 DHEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000886830544 1025951292 /nfs/dbraw/zinc/95/12/92/1025951292.db2.gz SYOBBPZKJMPFRV-DOTOQJQBSA-N 1 1 323.358 3.558 20 30 DHEDMO C[N@H+](CCc1cccc2ccccc21)Cc1nc(C#N)cs1 ZINC000356232000 1025989237 /nfs/dbraw/zinc/98/92/37/1025989237.db2.gz NQYXVBWUPQJXHY-UHFFFAOYSA-N 1 1 307.422 3.842 20 30 DHEDMO C[N@@H+](CCc1cccc2ccccc21)Cc1nc(C#N)cs1 ZINC000356232000 1025989245 /nfs/dbraw/zinc/98/92/45/1025989245.db2.gz NQYXVBWUPQJXHY-UHFFFAOYSA-N 1 1 307.422 3.842 20 30 DHEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000411400536 1025990396 /nfs/dbraw/zinc/99/03/96/1025990396.db2.gz UPJFGZRXCLCOFB-OLZOCXBDSA-N 1 1 301.365 3.839 20 30 DHEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H](C)C1 ZINC000356310080 1026018476 /nfs/dbraw/zinc/01/84/76/1026018476.db2.gz XCRQGLHESCDXGT-RISCZKNCSA-N 1 1 312.335 3.576 20 30 DHEDMO C=CCCC1(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000356322647 1026021397 /nfs/dbraw/zinc/02/13/97/1026021397.db2.gz OWVXFGHMDOBVDE-KRWDZBQOSA-N 1 1 314.473 3.760 20 30 DHEDMO C=CCCC1(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000356322648 1026022247 /nfs/dbraw/zinc/02/22/47/1026022247.db2.gz OWVXFGHMDOBVDE-QGZVFWFLSA-N 1 1 314.473 3.760 20 30 DHEDMO C[N@@H+](CCCCC#N)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245386198 1026037029 /nfs/dbraw/zinc/03/70/29/1026037029.db2.gz LBMZZMPULSZDQT-HUUCEWRRSA-N 1 1 313.228 3.577 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCOCC3(CCC3)C2)c(C(F)(F)F)c1 ZINC000356430817 1026050088 /nfs/dbraw/zinc/05/00/88/1026050088.db2.gz SAQLCECMVBDCRL-UHFFFAOYSA-N 1 1 324.346 3.580 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCOCC3(CCC3)C2)c(C(F)(F)F)c1 ZINC000356430817 1026050107 /nfs/dbraw/zinc/05/01/07/1026050107.db2.gz SAQLCECMVBDCRL-UHFFFAOYSA-N 1 1 324.346 3.580 20 30 DHEDMO C#CCOc1ccc([C@@H](C)NC2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000089513119 1026051296 /nfs/dbraw/zinc/05/12/96/1026051296.db2.gz MVZXBYDFJWDCOX-MRXNPFEDSA-N 1 1 314.473 3.612 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000356526668 1026076396 /nfs/dbraw/zinc/07/63/96/1026076396.db2.gz ONJMRTQAPFHFOF-MOPGFXCFSA-N 1 1 313.441 3.785 20 30 DHEDMO C=CCOc1cccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000356530927 1026077501 /nfs/dbraw/zinc/07/75/01/1026077501.db2.gz RMSINNGTOLGTRC-RTBURBONSA-N 1 1 313.441 3.785 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccccc1NC(C)=O ZINC000092505708 1026112142 /nfs/dbraw/zinc/11/21/42/1026112142.db2.gz GVACGVWRAMBMDG-UHFFFAOYSA-N 1 1 308.425 3.876 20 30 DHEDMO C[N@@H+](Cc1ccccc1)C1CCC(=NN[C@@H]2CCSC2)CC1 ZINC000808000954 1026172988 /nfs/dbraw/zinc/17/29/88/1026172988.db2.gz WZBGPNKMNQJYHF-QNSVNVJESA-N 1 1 317.502 3.512 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2C)cc1OC ZINC000614395989 1026290422 /nfs/dbraw/zinc/29/04/22/1026290422.db2.gz JHLSYJNXOZUQEG-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO Cc1cc(C#N)ccc1CN1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000614402901 1026295967 /nfs/dbraw/zinc/29/59/67/1026295967.db2.gz XTOBCOMVMBXGIN-OAQYLSRUSA-N 1 1 319.452 3.573 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000614402901 1026295978 /nfs/dbraw/zinc/29/59/78/1026295978.db2.gz XTOBCOMVMBXGIN-OAQYLSRUSA-N 1 1 319.452 3.573 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000614402901 1026295987 /nfs/dbraw/zinc/29/59/87/1026295987.db2.gz XTOBCOMVMBXGIN-OAQYLSRUSA-N 1 1 319.452 3.573 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000614403875 1026296862 /nfs/dbraw/zinc/29/68/62/1026296862.db2.gz UZWVSZBSNDORSI-MGPUTAFESA-N 1 1 306.409 3.691 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1OC ZINC000120626326 1026342481 /nfs/dbraw/zinc/34/24/81/1026342481.db2.gz NUPMXFZLKGKWBW-UHFFFAOYSA-N 1 1 319.408 3.851 20 30 DHEDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000419391702 1026349536 /nfs/dbraw/zinc/34/95/36/1026349536.db2.gz KCDXQGBJABBCHQ-OWCLPIDISA-N 1 1 323.440 3.714 20 30 DHEDMO C=CC[N@H+](CC[C@H](O)c1ccccc1)Cc1cccc(C#N)c1 ZINC000808712697 1026359983 /nfs/dbraw/zinc/35/99/83/1026359983.db2.gz HKZXXFAFWLIXHX-FQEVSTJZSA-N 1 1 306.409 3.670 20 30 DHEDMO C=CC[N@H+](CC[C@H](O)c1ccccc1)Cc1ccc(OC)cc1 ZINC000808711931 1026362768 /nfs/dbraw/zinc/36/27/68/1026362768.db2.gz WTNXQOAKUIZJKO-FQEVSTJZSA-N 1 1 311.425 3.807 20 30 DHEDMO C[C@@H](c1cccc(N=Cc2ccccc2O)c1)[NH+]1CCOCC1 ZINC000729150525 1026384045 /nfs/dbraw/zinc/38/40/45/1026384045.db2.gz WFVPLZFQCUMSAN-HNNXBMFYSA-N 1 1 310.397 3.536 20 30 DHEDMO C#CC[N@H+](CCCCCn1cc(C)cn1)Cc1ccc(F)cc1 ZINC000729268207 1026404810 /nfs/dbraw/zinc/40/48/10/1026404810.db2.gz QSDIIECOAOJEIU-UHFFFAOYSA-N 1 1 313.420 3.636 20 30 DHEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1OC ZINC000120656269 1026427402 /nfs/dbraw/zinc/42/74/02/1026427402.db2.gz NNWSXUCIGBWSSW-UHFFFAOYSA-N 1 1 310.397 3.598 20 30 DHEDMO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)c1 ZINC000182550045 1026513846 /nfs/dbraw/zinc/51/38/46/1026513846.db2.gz VCYIFPIGBQPSRD-LBPRGKRZSA-N 1 1 311.360 3.507 20 30 DHEDMO C#Cc1ccc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000809539965 1026547809 /nfs/dbraw/zinc/54/78/09/1026547809.db2.gz GLNHWPYNLGPZRT-GOSISDBHSA-N 1 1 311.450 3.911 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000809593720 1026569582 /nfs/dbraw/zinc/56/95/82/1026569582.db2.gz QLWAEEPTIDUTSG-NHCUHLMSSA-N 1 1 323.411 3.895 20 30 DHEDMO C#Cc1ccc(CN[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)cc1 ZINC000809663861 1026589716 /nfs/dbraw/zinc/58/97/16/1026589716.db2.gz WBGDQUZHXQLDOF-IBGZPJMESA-N 1 1 312.844 3.714 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(Cl)ccc1O ZINC000809701535 1026590164 /nfs/dbraw/zinc/59/01/64/1026590164.db2.gz GMDRACYPLPYLLC-UHFFFAOYSA-N 1 1 321.804 3.709 20 30 DHEDMO Cc1ccc(NC(=[NH2+])NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000104155632 1026594480 /nfs/dbraw/zinc/59/44/80/1026594480.db2.gz RWCBYGQEASKZKG-LJQANCHMSA-N 1 1 322.456 3.559 20 30 DHEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000809729698 1026595843 /nfs/dbraw/zinc/59/58/43/1026595843.db2.gz XEAJJVHPZCFWFC-HXUWFJFHSA-N 1 1 306.409 3.821 20 30 DHEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(F)ccc1O ZINC000809704815 1026600273 /nfs/dbraw/zinc/60/02/73/1026600273.db2.gz JVEHHDJUURXPOG-UHFFFAOYSA-N 1 1 317.408 3.887 20 30 DHEDMO C#CC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccccc1 ZINC000809715968 1026601779 /nfs/dbraw/zinc/60/17/79/1026601779.db2.gz ILNQWUCTFJSZIW-UHFFFAOYSA-N 1 1 309.457 3.890 20 30 DHEDMO C#CC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccccc1 ZINC000809715968 1026601786 /nfs/dbraw/zinc/60/17/86/1026601786.db2.gz ILNQWUCTFJSZIW-UHFFFAOYSA-N 1 1 309.457 3.890 20 30 DHEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(N(C)C(C)C)nc1 ZINC000809717743 1026602984 /nfs/dbraw/zinc/60/29/84/1026602984.db2.gz MRYDUXNYUPBISQ-UHFFFAOYSA-N 1 1 307.441 3.562 20 30 DHEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(N(C)C(C)C)nc1 ZINC000809717743 1026602992 /nfs/dbraw/zinc/60/29/92/1026602992.db2.gz MRYDUXNYUPBISQ-UHFFFAOYSA-N 1 1 307.441 3.562 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@](C)(OC)CC2)cc1OC ZINC000280259844 1026622384 /nfs/dbraw/zinc/62/23/84/1026622384.db2.gz LUISESPVFJEYTB-LJQANCHMSA-N 1 1 319.445 3.651 20 30 DHEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000747619430 1026806318 /nfs/dbraw/zinc/80/63/18/1026806318.db2.gz MFVMNAYGYBLCRH-HXUWFJFHSA-N 1 1 311.400 3.541 20 30 DHEDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000420927408 1026878239 /nfs/dbraw/zinc/87/82/39/1026878239.db2.gz OGUHRAXVKHGLRD-KRWDZBQOSA-N 1 1 315.417 3.751 20 30 DHEDMO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000420933595 1026881660 /nfs/dbraw/zinc/88/16/60/1026881660.db2.gz GGMPPXVLQHHIHJ-AEFFLSMTSA-N 1 1 320.436 3.676 20 30 DHEDMO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000420933603 1026882919 /nfs/dbraw/zinc/88/29/19/1026882919.db2.gz GGMPPXVLQHHIHJ-FUHWJXTLSA-N 1 1 320.436 3.676 20 30 DHEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420939898 1026883874 /nfs/dbraw/zinc/88/38/74/1026883874.db2.gz CJEJQJXXSLMEQE-LBPRGKRZSA-N 1 1 300.299 3.862 20 30 DHEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420939898 1026883882 /nfs/dbraw/zinc/88/38/82/1026883882.db2.gz CJEJQJXXSLMEQE-LBPRGKRZSA-N 1 1 300.299 3.862 20 30 DHEDMO N#Cc1c(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)cn2ccccc12 ZINC000420943260 1026897575 /nfs/dbraw/zinc/89/75/75/1026897575.db2.gz ICNPPSFVMNACFN-ZDUSSCGKSA-N 1 1 321.346 3.975 20 30 DHEDMO N#Cc1c(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)cn2ccccc12 ZINC000420943260 1026897583 /nfs/dbraw/zinc/89/75/83/1026897583.db2.gz ICNPPSFVMNACFN-ZDUSSCGKSA-N 1 1 321.346 3.975 20 30 DHEDMO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CCCC(C)(C)C#N)C1 ZINC000421017336 1026916097 /nfs/dbraw/zinc/91/60/97/1026916097.db2.gz LWCZZNDLFAOXTL-CABCVRRESA-N 1 1 308.466 3.616 20 30 DHEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000513744015 1026945662 /nfs/dbraw/zinc/94/56/62/1026945662.db2.gz FXMDNJDYUUHYFT-MRXNPFEDSA-N 1 1 308.491 3.850 20 30 DHEDMO CC(C)(C#N)CCSCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421232479 1026947183 /nfs/dbraw/zinc/94/71/83/1026947183.db2.gz YHYUSPSRQXZJCM-UHFFFAOYSA-N 1 1 318.486 3.692 20 30 DHEDMO N#Cc1csc(C[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)n1 ZINC000811458188 1027005411 /nfs/dbraw/zinc/00/54/11/1027005411.db2.gz JUDCWLBKZPRRIC-UHFFFAOYSA-N 1 1 322.437 3.876 20 30 DHEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC12CCCCC2 ZINC000367007344 1027016359 /nfs/dbraw/zinc/01/63/59/1027016359.db2.gz PQBOAPGVOIAJEA-UHFFFAOYSA-N 1 1 311.429 3.686 20 30 DHEDMO CC(=[NH+]N[C@H](C)COc1ccccc1)c1ccc(N)cc1Cl ZINC000811666819 1027057112 /nfs/dbraw/zinc/05/71/12/1027057112.db2.gz KRMYZLJJHPTGEY-GFCCVEGCSA-N 1 1 317.820 3.703 20 30 DHEDMO CC(=NNc1cc[nH+]cc1)c1csc(-c2ccccc2F)n1 ZINC000812227723 1027198268 /nfs/dbraw/zinc/19/82/68/1027198268.db2.gz OJAGXQVTJLKMSF-UHFFFAOYSA-N 1 1 312.373 3.602 20 30 DHEDMO C[C@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000572626174 1027216050 /nfs/dbraw/zinc/21/60/50/1027216050.db2.gz RWBCWTMGZQSBTC-KXBFYZLASA-N 1 1 311.473 3.646 20 30 DHEDMO C[C@H]1CCC[N@H+](C(C)(C)CN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000572626174 1027216065 /nfs/dbraw/zinc/21/60/65/1027216065.db2.gz RWBCWTMGZQSBTC-KXBFYZLASA-N 1 1 311.473 3.646 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC000931688074 1027216630 /nfs/dbraw/zinc/21/66/30/1027216630.db2.gz IASTUBQKDGPXBN-CYBMUJFWSA-N 1 1 303.818 3.658 20 30 DHEDMO N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CCC[N@H+]1C1CCCCC1)CC2 ZINC000562100603 1027235005 /nfs/dbraw/zinc/23/50/05/1027235005.db2.gz TXLNMBCUFYPTHS-PZJWPPBQSA-N 1 1 323.484 3.932 20 30 DHEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCN1C1CCCCC1)CC2 ZINC000562100603 1027235010 /nfs/dbraw/zinc/23/50/10/1027235010.db2.gz TXLNMBCUFYPTHS-PZJWPPBQSA-N 1 1 323.484 3.932 20 30 DHEDMO Cc1cccc(CC[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1 ZINC000572872878 1027238326 /nfs/dbraw/zinc/23/83/26/1027238326.db2.gz VOPJHSIULBDLOF-VQTJNVASSA-N 1 1 305.425 3.704 20 30 DHEDMO C=C(C)CC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000931796683 1027258485 /nfs/dbraw/zinc/25/84/85/1027258485.db2.gz LKSPNICWVIMEKC-QGZVFWFLSA-N 1 1 301.821 3.977 20 30 DHEDMO C=C(C)CC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000931796683 1027258496 /nfs/dbraw/zinc/25/84/96/1027258496.db2.gz LKSPNICWVIMEKC-QGZVFWFLSA-N 1 1 301.821 3.977 20 30 DHEDMO C=CCCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000812495493 1027301950 /nfs/dbraw/zinc/30/19/50/1027301950.db2.gz PYRZSQKVWFGGPF-ZWKOTPCHSA-N 1 1 323.525 3.885 20 30 DHEDMO N#Cc1csc(C[N@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)n1 ZINC000574007704 1027350717 /nfs/dbraw/zinc/35/07/17/1027350717.db2.gz JCEWHDXMIGNNNS-MRXNPFEDSA-N 1 1 315.417 3.751 20 30 DHEDMO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2Cc2ccc(F)cc2)n1 ZINC000574007704 1027350732 /nfs/dbraw/zinc/35/07/32/1027350732.db2.gz JCEWHDXMIGNNNS-MRXNPFEDSA-N 1 1 315.417 3.751 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000932075837 1027357489 /nfs/dbraw/zinc/35/74/89/1027357489.db2.gz RDXCTCVOEYVTIU-ZWNOBZJWSA-N 1 1 300.349 3.599 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000932075837 1027357500 /nfs/dbraw/zinc/35/75/00/1027357500.db2.gz RDXCTCVOEYVTIU-ZWNOBZJWSA-N 1 1 300.349 3.599 20 30 DHEDMO CC(C)(C)OC(=O)NCCCCCCC[N@H+]1CCC[C@H](C#N)C1 ZINC000932153889 1027388033 /nfs/dbraw/zinc/38/80/33/1027388033.db2.gz CALUPZAXVMFNGQ-MRXNPFEDSA-N 1 1 323.481 3.697 20 30 DHEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)C1 ZINC000932191529 1027404024 /nfs/dbraw/zinc/40/40/24/1027404024.db2.gz MLXLYKKMIQIERX-MCIONIFRSA-N 1 1 301.459 3.503 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000574559926 1027405366 /nfs/dbraw/zinc/40/53/66/1027405366.db2.gz MITNGLQDDSTKLG-HNNXBMFYSA-N 1 1 303.450 3.655 20 30 DHEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932203155 1027413436 /nfs/dbraw/zinc/41/34/36/1027413436.db2.gz HWYKXPKWJPKDHW-CYBMUJFWSA-N 1 1 315.417 3.609 20 30 DHEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932203155 1027413442 /nfs/dbraw/zinc/41/34/42/1027413442.db2.gz HWYKXPKWJPKDHW-CYBMUJFWSA-N 1 1 315.417 3.609 20 30 DHEDMO Cn1nccc1[C@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000932268450 1027434921 /nfs/dbraw/zinc/43/49/21/1027434921.db2.gz CQDAQSWONRJRFG-GOSISDBHSA-N 1 1 308.429 3.558 20 30 DHEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812852568 1027448487 /nfs/dbraw/zinc/44/84/87/1027448487.db2.gz HJQAZVHRXKXUKQ-LIRRHRJNSA-N 1 1 312.388 3.641 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932361212 1027464044 /nfs/dbraw/zinc/46/40/44/1027464044.db2.gz RTCMOHBOJQZVIU-KRWDZBQOSA-N 1 1 306.413 3.519 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000362956949 1027465039 /nfs/dbraw/zinc/46/50/39/1027465039.db2.gz GEBASLZUJWPISI-FQEVSTJZSA-N 1 1 312.457 3.880 20 30 DHEDMO Cc1cc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)ccc1C#N ZINC000362958924 1027468041 /nfs/dbraw/zinc/46/80/41/1027468041.db2.gz UCRYNSOZCPPYQS-UHFFFAOYSA-N 1 1 321.424 3.554 20 30 DHEDMO Cc1cc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)ccc1C#N ZINC000362958924 1027468081 /nfs/dbraw/zinc/46/80/81/1027468081.db2.gz UCRYNSOZCPPYQS-UHFFFAOYSA-N 1 1 321.424 3.554 20 30 DHEDMO CC(C)C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccn1 ZINC000932444881 1027498859 /nfs/dbraw/zinc/49/88/59/1027498859.db2.gz OJLAOFJDNLZPNB-UHFFFAOYSA-N 1 1 309.413 3.642 20 30 DHEDMO CCC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1F ZINC000576049797 1027553260 /nfs/dbraw/zinc/55/32/60/1027553260.db2.gz MFBIWBZVYDFLQI-QGZVFWFLSA-N 1 1 301.340 3.862 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1 ZINC000576080088 1027559237 /nfs/dbraw/zinc/55/92/37/1027559237.db2.gz NDZVZOKMFYOFJR-MSOLQXFVSA-N 1 1 301.430 3.641 20 30 DHEDMO C=CCCC[C@@H](C)NC(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000576284176 1027594526 /nfs/dbraw/zinc/59/45/26/1027594526.db2.gz OHEWQRODNMFNCQ-SJLPKXTDSA-N 1 1 302.462 3.758 20 30 DHEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000932802034 1027610372 /nfs/dbraw/zinc/61/03/72/1027610372.db2.gz QBLFEWLFWNLADA-KURKYZTESA-N 1 1 306.494 3.702 20 30 DHEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000932802033 1027610395 /nfs/dbraw/zinc/61/03/95/1027610395.db2.gz QBLFEWLFWNLADA-KSZLIROESA-N 1 1 306.494 3.702 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170706340 1027632782 /nfs/dbraw/zinc/63/27/82/1027632782.db2.gz BUSKQXAZZPAFIU-BQDHKBFISA-N 1 1 302.368 3.589 20 30 DHEDMO C=CCCC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000363554899 1027673279 /nfs/dbraw/zinc/67/32/79/1027673279.db2.gz LMKJYXZZKWKTPR-CRAIPNDOSA-N 1 1 320.864 3.805 20 30 DHEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1ccc(Cl)nc1 ZINC000778157798 1027680583 /nfs/dbraw/zinc/68/05/83/1027680583.db2.gz CGMADQQEFBKWJE-UHFFFAOYSA-N 1 1 321.207 3.690 20 30 DHEDMO C#CCC1([NH2+]Cc2nc([C@H](C)SCC)no2)CCCCC1 ZINC000933268834 1027707527 /nfs/dbraw/zinc/70/75/27/1027707527.db2.gz GFEDRQCIUANNOC-ZDUSSCGKSA-N 1 1 307.463 3.700 20 30 DHEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1CCC(C)=C[C@H]1C ZINC001275852626 1027727397 /nfs/dbraw/zinc/72/73/97/1027727397.db2.gz JRYMLGNPYLVQHY-NCXUSEDFSA-N 1 1 316.489 3.620 20 30 DHEDMO CC(C)Cc1noc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000933614121 1027776635 /nfs/dbraw/zinc/77/66/35/1027776635.db2.gz ISJKQLXHERYMFR-UHFFFAOYSA-N 1 1 324.428 3.519 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@H+]([C@@H]3CCc4ccccc43)CCO2)cc1 ZINC000933627647 1027780994 /nfs/dbraw/zinc/78/09/94/1027780994.db2.gz GWZLGVUSBDDBOT-WOJBJXKFSA-N 1 1 304.393 3.619 20 30 DHEDMO C=CCN1CC[C@@]2(CC[N@H+](CC[C@H](C)CC(C)(C)C)C2)C1=O ZINC001275880681 1027801297 /nfs/dbraw/zinc/80/12/97/1027801297.db2.gz PHMNNMLIUMIVBY-QFBILLFUSA-N 1 1 306.494 3.559 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000364343116 1027811946 /nfs/dbraw/zinc/81/19/46/1027811946.db2.gz NTFKXNQYPRDKRE-OAHLLOKOSA-N 1 1 311.816 3.671 20 30 DHEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000364343116 1027811970 /nfs/dbraw/zinc/81/19/70/1027811970.db2.gz NTFKXNQYPRDKRE-OAHLLOKOSA-N 1 1 311.816 3.671 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000778205440 1027855337 /nfs/dbraw/zinc/85/53/37/1027855337.db2.gz CYMNAMOBECKOAE-IBGZPJMESA-N 1 1 300.446 3.943 20 30 DHEDMO C[N@H+]1CCCC12CCN(c1cc(C#N)ccc1C(F)(F)F)CC2 ZINC000364634267 1027858099 /nfs/dbraw/zinc/85/80/99/1027858099.db2.gz KPVGESFKDVPNTJ-UHFFFAOYSA-N 1 1 323.362 3.642 20 30 DHEDMO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccc(C#N)cc1 ZINC000007696373 1027864526 /nfs/dbraw/zinc/86/45/26/1027864526.db2.gz RBQNNJRFLVBLFT-UHFFFAOYSA-N 1 1 321.424 3.717 20 30 DHEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc(C#N)cc1 ZINC000007696373 1027864532 /nfs/dbraw/zinc/86/45/32/1027864532.db2.gz RBQNNJRFLVBLFT-UHFFFAOYSA-N 1 1 321.424 3.717 20 30 DHEDMO C[C@]12CC[N@@H+](CC3CCC(C#N)CC3)C[C@H]1C2(Cl)Cl ZINC000930368212 1027892899 /nfs/dbraw/zinc/89/28/99/1027892899.db2.gz RGGOFKYRZIRQNM-PQAZSJQKSA-N 1 1 301.261 3.832 20 30 DHEDMO C=C[C@H]1CCCCN1C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000934083487 1027899616 /nfs/dbraw/zinc/89/96/16/1027899616.db2.gz ZSRTZUPHIFHZBU-INIZCTEOSA-N 1 1 314.433 3.644 20 30 DHEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000365234643 1027906445 /nfs/dbraw/zinc/90/64/45/1027906445.db2.gz OVXJSEVUWUCFRA-MRXNPFEDSA-N 1 1 310.372 3.695 20 30 DHEDMO Cc1cnc([C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)s1 ZINC000365254030 1027912542 /nfs/dbraw/zinc/91/25/42/1027912542.db2.gz FUVNNACTSXQNKZ-HNNXBMFYSA-N 1 1 315.417 3.842 20 30 DHEDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563216981 1027939864 /nfs/dbraw/zinc/93/98/64/1027939864.db2.gz PFIZCVBMJFHTQN-INIZCTEOSA-N 1 1 321.380 3.764 20 30 DHEDMO CC(C)Cn1cnnc1[C@@H]1CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000365444993 1027947575 /nfs/dbraw/zinc/94/75/75/1027947575.db2.gz URMPJPBYPLARDZ-INIZCTEOSA-N 1 1 317.481 3.791 20 30 DHEDMO CC(C)Cn1cnnc1[C@@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000365444993 1027947591 /nfs/dbraw/zinc/94/75/91/1027947591.db2.gz URMPJPBYPLARDZ-INIZCTEOSA-N 1 1 317.481 3.791 20 30 DHEDMO N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@@H+]1C1CCCCC1)CC2 ZINC000527948832 1027983766 /nfs/dbraw/zinc/98/37/66/1027983766.db2.gz MIAROXJQKOSQRP-ICSRJNTNSA-N 1 1 309.457 3.542 20 30 DHEDMO N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@H+]1C1CCCCC1)CC2 ZINC000527948832 1027983784 /nfs/dbraw/zinc/98/37/84/1027983784.db2.gz MIAROXJQKOSQRP-ICSRJNTNSA-N 1 1 309.457 3.542 20 30 DHEDMO N#CCC[C@@H]([NH2+]Cc1ccnn1CC1CCC1)c1ccccc1 ZINC000601113932 1027991152 /nfs/dbraw/zinc/99/11/52/1027991152.db2.gz JOSUSZXHCXFYKX-LJQANCHMSA-N 1 1 308.429 3.818 20 30 DHEDMO C=CC[C@H]1CC[N@H+]1Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000934466673 1028013241 /nfs/dbraw/zinc/01/32/41/1028013241.db2.gz KHFHWBWRHJQIRN-AWEZNQCLSA-N 1 1 316.426 3.675 20 30 DHEDMO C=CC[C@H]1CC[N@@H+]1Cc1csc(-c2ccc(O)c(OC)c2)n1 ZINC000934466673 1028013254 /nfs/dbraw/zinc/01/32/54/1028013254.db2.gz KHFHWBWRHJQIRN-AWEZNQCLSA-N 1 1 316.426 3.675 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccccc2C2CC2)C1=O ZINC001276005276 1028029856 /nfs/dbraw/zinc/02/98/56/1028029856.db2.gz PWGOOYFGHUROJD-OAQYLSRUSA-N 1 1 324.468 3.707 20 30 DHEDMO C=CC[C@@H](C(=O)N[C@@H](C)C[N@H+](CC)CCC)c1ccccc1 ZINC000578105473 1028052974 /nfs/dbraw/zinc/05/29/74/1028052974.db2.gz CVRNAYKUEWXRBP-FUHWJXTLSA-N 1 1 302.462 3.583 20 30 DHEDMO N#CC1(CCCC[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)CCC1 ZINC000934832067 1028120952 /nfs/dbraw/zinc/12/09/52/1028120952.db2.gz NHLHVSLZQBJIHB-QZTJIDSGSA-N 1 1 304.478 3.989 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000934877124 1028136443 /nfs/dbraw/zinc/13/64/43/1028136443.db2.gz RRVDPNNECMNRPJ-SJLPKXTDSA-N 1 1 313.445 3.668 20 30 DHEDMO C=C(C)c1cccc(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000934884680 1028141019 /nfs/dbraw/zinc/14/10/19/1028141019.db2.gz CPRQFRCXVSTIAR-HNNXBMFYSA-N 1 1 301.434 3.573 20 30 DHEDMO C=C(C)c1cccc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000934884055 1028141620 /nfs/dbraw/zinc/14/16/20/1028141620.db2.gz IBKAZVRJQKYRFD-LJQANCHMSA-N 1 1 313.445 3.669 20 30 DHEDMO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814676372 1028148244 /nfs/dbraw/zinc/14/82/44/1028148244.db2.gz KNNFNIZNCGOASR-IYBDPMFKSA-N 1 1 308.466 3.532 20 30 DHEDMO C[C@H]1CCSCC[N@H+]1Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000367567500 1028205050 /nfs/dbraw/zinc/20/50/50/1028205050.db2.gz WMNQGMKCWBIRLI-ZDUSSCGKSA-N 1 1 313.426 3.541 20 30 DHEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000367872652 1028253818 /nfs/dbraw/zinc/25/38/18/1028253818.db2.gz HWAULVTUUIGLPZ-KDOFPFPSSA-N 1 1 307.397 3.545 20 30 DHEDMO C[C@H]1C(=NOCC(F)(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000814880011 1028278749 /nfs/dbraw/zinc/27/87/49/1028278749.db2.gz OEUDICLZWQHOQQ-LBPRGKRZSA-N 1 1 300.324 3.606 20 30 DHEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000368131564 1028306902 /nfs/dbraw/zinc/30/69/02/1028306902.db2.gz ASDGYJWVNRJHNH-FZKQIMNGSA-N 1 1 324.428 3.655 20 30 DHEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000368131566 1028312419 /nfs/dbraw/zinc/31/24/19/1028312419.db2.gz ASDGYJWVNRJHNH-UGSOOPFHSA-N 1 1 324.428 3.655 20 30 DHEDMO C=C(C)c1cccc(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)c1 ZINC001134838243 1028340167 /nfs/dbraw/zinc/34/01/67/1028340167.db2.gz RNHNRMXMDVFKDO-UHFFFAOYSA-N 1 1 304.353 3.553 20 30 DHEDMO C=CCOCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000815059951 1028343398 /nfs/dbraw/zinc/34/33/98/1028343398.db2.gz FSGLSHVMUBMGOQ-HZPDHXFCSA-N 1 1 309.475 3.619 20 30 DHEDMO C[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@@H]1C)c1ccc(C#N)s1 ZINC000368582700 1028375048 /nfs/dbraw/zinc/37/50/48/1028375048.db2.gz GLIVFCWOBLNFGM-IEVXNVSRSA-N 1 1 302.374 3.932 20 30 DHEDMO C=C[C@H](CC)CC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000935794124 1028398256 /nfs/dbraw/zinc/39/82/56/1028398256.db2.gz HYLGTVLQOJFHEI-YLJYHZDGSA-N 1 1 314.473 3.617 20 30 DHEDMO CC[C@H](CC#N)[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000369464832 1028490230 /nfs/dbraw/zinc/49/02/30/1028490230.db2.gz SABGQRDNGCVIHG-CQSZACIVSA-N 1 1 322.334 3.877 20 30 DHEDMO C[N@H+]1CC[C@H](CNc2cccc(F)c2C#N)[C@@H]1c1cccs1 ZINC000369560092 1028501985 /nfs/dbraw/zinc/50/19/85/1028501985.db2.gz DWRWUGMIAHJOHS-SJKOYZFVSA-N 1 1 315.417 3.864 20 30 DHEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc(C(F)(F)F)c1O ZINC000815618174 1028572466 /nfs/dbraw/zinc/57/24/66/1028572466.db2.gz GINLRJBXJFJYJW-SNVBAGLBSA-N 1 1 321.302 3.528 20 30 DHEDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)o1 ZINC000565330933 1028574475 /nfs/dbraw/zinc/57/44/75/1028574475.db2.gz DCDNITDZOYLNHH-DNVCBOLYSA-N 1 1 324.424 3.923 20 30 DHEDMO CC[N@H+]1CCc2c(cccc2NCc2ccc(C#N)c(OC)c2)C1 ZINC000370225384 1028577971 /nfs/dbraw/zinc/57/79/71/1028577971.db2.gz TTZWRLXDWWVHBD-UHFFFAOYSA-N 1 1 321.424 3.557 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(OCC)c1O ZINC000779169868 1028583737 /nfs/dbraw/zinc/58/37/37/1028583737.db2.gz RJAAHQUEHGYRRE-UHFFFAOYSA-N 1 1 301.386 3.615 20 30 DHEDMO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)o1 ZINC000370532632 1028612640 /nfs/dbraw/zinc/61/26/40/1028612640.db2.gz CFCIGBHRHXENMH-RDJZCZTQSA-N 1 1 321.424 3.855 20 30 DHEDMO COc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)c2F)c(OC)c1 ZINC000528671492 1028669406 /nfs/dbraw/zinc/66/94/06/1028669406.db2.gz YAFYTEAQTXKMHI-LBPRGKRZSA-N 1 1 314.360 3.565 20 30 DHEDMO COc1cccc(-c2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc2)c1 ZINC000566047871 1028670774 /nfs/dbraw/zinc/67/07/74/1028670774.db2.gz PTGOKOBFAOIIAA-QGZVFWFLSA-N 1 1 319.408 3.895 20 30 DHEDMO COc1cncc(/C=C/CC[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000566156203 1028682909 /nfs/dbraw/zinc/68/29/09/1028682909.db2.gz RNPJYLUAEYFITE-VMPITWQZSA-N 1 1 301.434 3.755 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCCC23CCOCC3)c1 ZINC000371393953 1028702837 /nfs/dbraw/zinc/70/28/37/1028702837.db2.gz VGAMSZBPTLNNMM-UHFFFAOYSA-N 1 1 314.429 3.514 20 30 DHEDMO C=CCC[C@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)c1ccccc1 ZINC000566332804 1028705414 /nfs/dbraw/zinc/70/54/14/1028705414.db2.gz SNIGDUMNZDQGNH-HKUYNNGSSA-N 1 1 323.440 3.578 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](n3cnc4ccccc43)C2)s1 ZINC000371419749 1028708147 /nfs/dbraw/zinc/70/81/47/1028708147.db2.gz PKLHGGLMBBUCIP-AWEZNQCLSA-N 1 1 322.437 3.807 20 30 DHEDMO C[C@H]([NH2+][C@H]1c2cccc(F)c2O[C@H]1C)c1ccc(C#N)s1 ZINC000371513657 1028725038 /nfs/dbraw/zinc/72/50/38/1028725038.db2.gz GXOCKVVOINTKSL-AMJWSMQMSA-N 1 1 302.374 3.932 20 30 DHEDMO N#Cc1ccc(-c2cnc(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)o2)cc1 ZINC000371786410 1028759758 /nfs/dbraw/zinc/75/97/58/1028759758.db2.gz IKZMCXAUJICPLY-RDJZCZTQSA-N 1 1 307.397 3.978 20 30 DHEDMO CC1(C)[C@H](c2cccc(F)c2)CC[N@@H+]1Cc1nc(C#N)cs1 ZINC000528777060 1028800822 /nfs/dbraw/zinc/80/08/22/1028800822.db2.gz XHNMNMUMGCINPB-HNNXBMFYSA-N 1 1 315.417 3.922 20 30 DHEDMO CC1(C)[C@H](c2cccc(F)c2)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000528777060 1028800841 /nfs/dbraw/zinc/80/08/41/1028800841.db2.gz XHNMNMUMGCINPB-HNNXBMFYSA-N 1 1 315.417 3.922 20 30 DHEDMO CC#CCCCC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000816455888 1028880153 /nfs/dbraw/zinc/88/01/53/1028880153.db2.gz XLMGOZMBPSLXOZ-IEBWSBKVSA-N 1 1 313.441 3.634 20 30 DHEDMO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000372678885 1028881896 /nfs/dbraw/zinc/88/18/96/1028881896.db2.gz FHEVKKPBOPBYIW-MSOLQXFVSA-N 1 1 305.510 3.903 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCC(C)(C)C#N)C1 ZINC000372678885 1028881902 /nfs/dbraw/zinc/88/19/02/1028881902.db2.gz FHEVKKPBOPBYIW-MSOLQXFVSA-N 1 1 305.510 3.903 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cn1ccc(-c2cccs2)n1 ZINC000778584755 1028884227 /nfs/dbraw/zinc/88/42/27/1028884227.db2.gz IBSIJUHNGKKKTP-UHFFFAOYSA-N 1 1 313.426 3.893 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cn1ccc(-c2cccs2)n1 ZINC000778584755 1028884242 /nfs/dbraw/zinc/88/42/42/1028884242.db2.gz IBSIJUHNGKKKTP-UHFFFAOYSA-N 1 1 313.426 3.893 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000372937366 1028923095 /nfs/dbraw/zinc/92/30/95/1028923095.db2.gz ZEIPDHNABHSHOZ-CQSZACIVSA-N 1 1 307.372 3.943 20 30 DHEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000567790399 1028954159 /nfs/dbraw/zinc/95/41/59/1028954159.db2.gz ZUOOMLNFBQSWBE-FUHWJXTLSA-N 1 1 303.833 3.583 20 30 DHEDMO C#CCOc1ccc(C[N@H+]2CC(C)(C)[C@H]2c2ccncc2)cc1 ZINC000816621619 1028970050 /nfs/dbraw/zinc/97/00/50/1028970050.db2.gz LYRFLZVRVWSVPE-LJQANCHMSA-N 1 1 306.409 3.677 20 30 DHEDMO C#CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)cc1 ZINC000816621619 1028970065 /nfs/dbraw/zinc/97/00/65/1028970065.db2.gz LYRFLZVRVWSVPE-LJQANCHMSA-N 1 1 306.409 3.677 20 30 DHEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1Cl ZINC000568132833 1029010676 /nfs/dbraw/zinc/01/06/76/1029010676.db2.gz YVLDJGPZDKWFFI-KRWDZBQOSA-N 1 1 321.848 3.784 20 30 DHEDMO CC(C)n1nccc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000373425594 1029039667 /nfs/dbraw/zinc/03/96/67/1029039667.db2.gz IJHAHFZPCBYIPD-UHFFFAOYSA-N 1 1 306.413 3.625 20 30 DHEDMO CC(C)n1nccc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000373425594 1029039683 /nfs/dbraw/zinc/03/96/83/1029039683.db2.gz IJHAHFZPCBYIPD-UHFFFAOYSA-N 1 1 306.413 3.625 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000411496258 1029139487 /nfs/dbraw/zinc/13/94/87/1029139487.db2.gz XHTOCHYOSQUASV-CQSZACIVSA-N 1 1 317.385 3.759 20 30 DHEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CCCCC1 ZINC000450101759 1029211699 /nfs/dbraw/zinc/21/16/99/1029211699.db2.gz DTERQSGYZPVFQJ-KRWDZBQOSA-N 1 1 306.494 3.607 20 30 DHEDMO CC(C)C[N@@H+](CCC1(C#N)CCCCC1)Cc1cnn(C)c1 ZINC000411827148 1029217175 /nfs/dbraw/zinc/21/71/75/1029217175.db2.gz ZSEWAZSNRWJAIV-UHFFFAOYSA-N 1 1 302.466 3.742 20 30 DHEDMO COc1ccccc1/C=C/C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000155418737 1029231974 /nfs/dbraw/zinc/23/19/74/1029231974.db2.gz VHGPIIYYBCFPRE-FNORWQNLSA-N 1 1 310.372 3.851 20 30 DHEDMO COc1ccccc1/C=C/C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000155418737 1029231988 /nfs/dbraw/zinc/23/19/88/1029231988.db2.gz VHGPIIYYBCFPRE-FNORWQNLSA-N 1 1 310.372 3.851 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411946412 1029255356 /nfs/dbraw/zinc/25/53/56/1029255356.db2.gz OFGFKWKOBQPDNX-UYAOXDASSA-N 1 1 320.436 3.796 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCCO[C@H]3CCC[C@@H]32)c1 ZINC000374254701 1029257355 /nfs/dbraw/zinc/25/73/55/1029257355.db2.gz NEUGICJYGPNWOL-OALUTQOASA-N 1 1 314.429 3.513 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CCCO[C@@H]3CCC[C@@H]32)c1 ZINC000374254702 1029258079 /nfs/dbraw/zinc/25/80/79/1029258079.db2.gz NEUGICJYGPNWOL-RBUKOAKNSA-N 1 1 314.429 3.513 20 30 DHEDMO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001136026238 1029263306 /nfs/dbraw/zinc/26/33/06/1029263306.db2.gz PBXRGXLJVQXPMM-HXUWFJFHSA-N 1 1 318.420 3.509 20 30 DHEDMO C[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC001136026238 1029263323 /nfs/dbraw/zinc/26/33/23/1029263323.db2.gz PBXRGXLJVQXPMM-HXUWFJFHSA-N 1 1 318.420 3.509 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412017144 1029283990 /nfs/dbraw/zinc/28/39/90/1029283990.db2.gz XKXSCITWUSJXSO-OAQYLSRUSA-N 1 1 317.432 3.892 20 30 DHEDMO C=C(Cl)COc1ccc([C@@H](C)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000817968459 1029307215 /nfs/dbraw/zinc/30/72/15/1029307215.db2.gz JNZADWXGWSTXHM-ZBFHGGJFSA-N 1 1 308.853 3.611 20 30 DHEDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000412063927 1029313539 /nfs/dbraw/zinc/31/35/39/1029313539.db2.gz JQCOQFFLMIZEMW-ARFHVFGLSA-N 1 1 306.450 3.513 20 30 DHEDMO CC[C@@H](C(=O)Nc1cccc(C#N)c1C)[N@@H+](C)Cc1ccccc1 ZINC000570441429 1029367187 /nfs/dbraw/zinc/36/71/87/1029367187.db2.gz PYBRVAPDYJDIBH-IBGZPJMESA-N 1 1 321.424 3.716 20 30 DHEDMO CC(C)[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)cn1 ZINC000779411688 1029369110 /nfs/dbraw/zinc/36/91/10/1029369110.db2.gz GQJNGMAITJKYSX-QGZVFWFLSA-N 1 1 301.340 3.718 20 30 DHEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2cc[nH]c2c1 ZINC000529524405 1029372359 /nfs/dbraw/zinc/37/23/59/1029372359.db2.gz URTHSXVXPZTTNJ-UHFFFAOYSA-N 1 1 319.408 3.688 20 30 DHEDMO FC(F)(F)C1(C(F)(F)F)CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000450419890 1029466657 /nfs/dbraw/zinc/46/66/57/1029466657.db2.gz PLWACBUTOBFMSR-UHFFFAOYSA-N 1 1 311.216 3.848 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000121076564 1029493137 /nfs/dbraw/zinc/49/31/37/1029493137.db2.gz IALQEKXKALHTGY-HUUCEWRRSA-N 1 1 306.475 3.698 20 30 DHEDMO C=CC[C@H](Cc1ccccc1)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000412845991 1029537002 /nfs/dbraw/zinc/53/70/02/1029537002.db2.gz WJQKWCDYAWVCOH-MOPGFXCFSA-N 1 1 314.473 3.555 20 30 DHEDMO N#CC1(C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)CCC1 ZINC000450561131 1029549102 /nfs/dbraw/zinc/54/91/02/1029549102.db2.gz ZNMRDZRTEAZKLS-UHFFFAOYSA-N 1 1 323.415 3.959 20 30 DHEDMO N#CC1(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)CCC1 ZINC000450561131 1029549110 /nfs/dbraw/zinc/54/91/10/1029549110.db2.gz ZNMRDZRTEAZKLS-UHFFFAOYSA-N 1 1 323.415 3.959 20 30 DHEDMO C[C@@H](N=NC1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000819814908 1029612959 /nfs/dbraw/zinc/61/29/59/1029612959.db2.gz IAZMDEWISDAUPA-DLBZAZTESA-N 1 1 322.456 3.630 20 30 DHEDMO CCC[N@@H+](CC1(C#N)CCC1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000450931095 1029735080 /nfs/dbraw/zinc/73/50/80/1029735080.db2.gz YNNGDBSJAMGSGY-MRXNPFEDSA-N 1 1 313.445 3.810 20 30 DHEDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)ccc1C#N ZINC000450958323 1029748987 /nfs/dbraw/zinc/74/89/87/1029748987.db2.gz MUOSQXSCDKMEED-XUVXKRRUSA-N 1 1 312.457 3.772 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1CCCCC1(F)F ZINC000450984876 1029760586 /nfs/dbraw/zinc/76/05/86/1029760586.db2.gz YOKRTIYUBRFNMI-CQSZACIVSA-N 1 1 313.388 3.976 20 30 DHEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451006305 1029763062 /nfs/dbraw/zinc/76/30/62/1029763062.db2.gz RNCBAWJPDSLJSD-SFHVURJKSA-N 1 1 310.828 3.966 20 30 DHEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451006305 1029763067 /nfs/dbraw/zinc/76/30/67/1029763067.db2.gz RNCBAWJPDSLJSD-SFHVURJKSA-N 1 1 310.828 3.966 20 30 DHEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000451016905 1029767456 /nfs/dbraw/zinc/76/74/56/1029767456.db2.gz JAZNYDXUVJVRJL-MRXNPFEDSA-N 1 1 319.836 3.946 20 30 DHEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCCN(c2ccccc2)C1 ZINC000530666076 1029951391 /nfs/dbraw/zinc/95/13/91/1029951391.db2.gz VSCYTDNAGDKHAF-FQEVSTJZSA-N 1 1 305.425 3.659 20 30 DHEDMO C[N@@H+](CCCCNc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 ZINC000413345561 1029965763 /nfs/dbraw/zinc/96/57/63/1029965763.db2.gz GBCQAKDUYJKJBA-UHFFFAOYSA-N 1 1 311.351 3.863 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@H+](CCCC(C)C)CC2)C1=O ZINC001276260336 1029967886 /nfs/dbraw/zinc/96/78/86/1029967886.db2.gz VATUHTYDBWBISA-LJQANCHMSA-N 1 1 306.494 3.703 20 30 DHEDMO CN1CCC[C@@H]([NH2+]Cc2cccc(F)c2C#N)c2ccccc21 ZINC000451875453 1030040195 /nfs/dbraw/zinc/04/01/95/1030040195.db2.gz BYRYSKQJTKJULZ-GOSISDBHSA-N 1 1 309.388 3.758 20 30 DHEDMO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](CF)c2ccc(F)cc2)cc1 ZINC000865822578 1030041261 /nfs/dbraw/zinc/04/12/61/1030041261.db2.gz KRWNDGHFDNHHDP-UGSOOPFHSA-N 1 1 316.351 3.917 20 30 DHEDMO CCOc1cccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1O ZINC000822525603 1030045033 /nfs/dbraw/zinc/04/50/33/1030045033.db2.gz JRFJDFSRYKIZOK-CQSZACIVSA-N 1 1 310.397 3.856 20 30 DHEDMO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000451959177 1030067769 /nfs/dbraw/zinc/06/77/69/1030067769.db2.gz XRZLJSRGHGERTO-UONOGXRCSA-N 1 1 310.401 3.619 20 30 DHEDMO N#CCCC[C@H]([NH3+])c1nc(CSc2ccc(Cl)cc2)no1 ZINC000822664208 1030089183 /nfs/dbraw/zinc/08/91/83/1030089183.db2.gz MAMHNENYEGQRMY-LBPRGKRZSA-N 1 1 322.821 3.709 20 30 DHEDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866236985 1030171777 /nfs/dbraw/zinc/17/17/77/1030171777.db2.gz GPRSKLNWBXZWIF-RYUDHWBXSA-N 1 1 314.360 3.823 20 30 DHEDMO C[C@H](CC(C)(C)C#N)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000924854280 1030205951 /nfs/dbraw/zinc/20/59/51/1030205951.db2.gz GBONIDANXHSGTQ-MRXNPFEDSA-N 1 1 305.510 3.949 20 30 DHEDMO CC[N@H+]1CC[C@H](Nc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000245932094 1030206707 /nfs/dbraw/zinc/20/67/07/1030206707.db2.gz VMHZJUXTMCJZAW-YJBOKZPZSA-N 1 1 301.434 3.511 20 30 DHEDMO Cc1ccc([C@H](c2noc([C@@H]([NH3+])CCCC#N)n2)C(C)C)cc1 ZINC000823200439 1030226581 /nfs/dbraw/zinc/22/65/81/1030226581.db2.gz VQOGRKYFTDWJDD-JKSUJKDBSA-N 1 1 312.417 3.860 20 30 DHEDMO COc1ccc(C2([NH2+][C@@H](C)c3cccc(C#N)c3O)CC2)cc1 ZINC000866319805 1030227806 /nfs/dbraw/zinc/22/78/06/1030227806.db2.gz KPPORSLOQQVXNM-ZDUSSCGKSA-N 1 1 308.381 3.612 20 30 DHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CC(C)(C)C ZINC000533279049 1030237997 /nfs/dbraw/zinc/23/79/97/1030237997.db2.gz WDSKMYICAIGBGL-LLVKDONJSA-N 1 1 307.825 3.517 20 30 DHEDMO N#CCCC[C@@H]([NH3+])c1nc(Cc2cc3ccccc3s2)no1 ZINC000823263399 1030240858 /nfs/dbraw/zinc/24/08/58/1030240858.db2.gz IBIWPOJSBBPOJE-CYBMUJFWSA-N 1 1 312.398 3.569 20 30 DHEDMO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1ccc(F)cc1C ZINC000794923137 1030318543 /nfs/dbraw/zinc/31/85/43/1030318543.db2.gz MNZHIAWPBTXQNX-UHFFFAOYSA-N 1 1 323.375 3.656 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccc(F)cc1F ZINC000823616837 1030344069 /nfs/dbraw/zinc/34/40/69/1030344069.db2.gz CDMHICNHLOEUJP-XIKOKIGWSA-N 1 1 316.351 3.563 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccccc1Cl ZINC000823618744 1030344253 /nfs/dbraw/zinc/34/42/53/1030344253.db2.gz UVZFRCSPHPFVFS-UGSOOPFHSA-N 1 1 314.816 3.938 20 30 DHEDMO C=C(C)C[N@@H+]1CC2(C[C@@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000823642070 1030353367 /nfs/dbraw/zinc/35/33/67/1030353367.db2.gz AHVMGSPHCVQGLN-HNNXBMFYSA-N 1 1 308.466 3.674 20 30 DHEDMO N#Cc1ccc(F)c(C[NH2+][C@H]2CCc3c2nccc3Cl)c1 ZINC000925471650 1030370274 /nfs/dbraw/zinc/37/02/74/1030370274.db2.gz ABRSRBGAUORYES-HNNXBMFYSA-N 1 1 301.752 3.523 20 30 DHEDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000805839772 1030399071 /nfs/dbraw/zinc/39/90/71/1030399071.db2.gz SHCLZHGUDQGUBW-JLSDUUJJSA-N 1 1 300.446 3.738 20 30 DHEDMO CC[NH+](CC)Cc1ccccc1Nc1cc(C#N)c(F)cc1O ZINC001211995953 1030457783 /nfs/dbraw/zinc/45/77/83/1030457783.db2.gz PFXXLHJKTJOYJL-UHFFFAOYSA-N 1 1 313.376 3.988 20 30 DHEDMO CC(C)c1ccccc1NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867943018 1030503809 /nfs/dbraw/zinc/50/38/09/1030503809.db2.gz JPOBHYGJOHMRJW-LJQANCHMSA-N 1 1 319.408 3.507 20 30 DHEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccnc(Cl)c1F ZINC000824302001 1030518911 /nfs/dbraw/zinc/51/89/11/1030518911.db2.gz KNJWXAMCFRGLSI-CQSZACIVSA-N 1 1 301.752 3.523 20 30 DHEDMO CC1(C)CC(N=Nc2cccc(F)n2)C[N@H+]1Cc1ccccc1 ZINC000795010203 1030568683 /nfs/dbraw/zinc/56/86/83/1030568683.db2.gz XGXNUMZIEYFEQJ-UHFFFAOYSA-N 1 1 312.392 3.673 20 30 DHEDMO CCCNc1nc(N[C@@H]2CCc3c2cccc3C#N)[nH+]cc1C ZINC001171058968 1030581331 /nfs/dbraw/zinc/58/13/31/1030581331.db2.gz DCNUDRXQJBQKLL-MRXNPFEDSA-N 1 1 307.401 3.578 20 30 DHEDMO Clc1ccc(C[NH+]2CCC(C#Cc3ccccc3)CC2)nc1 ZINC001136932725 1030617245 /nfs/dbraw/zinc/61/72/45/1030617245.db2.gz SZGYKANMDMZKBZ-UHFFFAOYSA-N 1 1 310.828 3.999 20 30 DHEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OCC(F)F)cc1 ZINC001136940617 1030646935 /nfs/dbraw/zinc/64/69/35/1030646935.db2.gz GDAQVRMHZDBZBZ-QKDCVEJESA-N 1 1 306.356 3.597 20 30 DHEDMO C#CC[NH+](CC#C)Cc1ccc2ccc(-c3ccccc3)nc2c1 ZINC001136947518 1030648761 /nfs/dbraw/zinc/64/87/61/1030648761.db2.gz JZHAKJKCHSGHDN-UHFFFAOYSA-N 1 1 310.400 3.970 20 30 DHEDMO C=C(C)[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(F)c(F)c1 ZINC000358990233 1030715965 /nfs/dbraw/zinc/71/59/65/1030715965.db2.gz OIHHJLBDRGFEJS-FUHWJXTLSA-N 1 1 317.383 3.983 20 30 DHEDMO C=CCSCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000248756034 1030766978 /nfs/dbraw/zinc/76/69/78/1030766978.db2.gz CRJVZNBXBSTZNM-LDLYASANSA-N 1 1 316.514 3.691 20 30 DHEDMO COc1ccccc1[C@@H]([NH2+]CC(C)(C)CC#N)c1ccccn1 ZINC000926566742 1030799817 /nfs/dbraw/zinc/79/98/17/1030799817.db2.gz CIKDKKPGDYSJLV-GOSISDBHSA-N 1 1 309.413 3.709 20 30 DHEDMO CC[C@H]([NH2+][C@@H]1COCc2ccccc21)c1cccc(C#N)c1O ZINC000926598522 1030820093 /nfs/dbraw/zinc/82/00/93/1030820093.db2.gz NFAWHMHFPJMTOC-ZWKOTPCHSA-N 1 1 308.381 3.576 20 30 DHEDMO CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1c(Cl)cccc1C#N)C2 ZINC001143719251 1030917382 /nfs/dbraw/zinc/91/73/82/1030917382.db2.gz UNJLDWJOASVJCD-QAPCUYQASA-N 1 1 318.848 3.850 20 30 DHEDMO C[C@@H](CC#N)[N@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000161904886 1030958356 /nfs/dbraw/zinc/95/83/56/1030958356.db2.gz QEJMFCAUJUBULS-INIZCTEOSA-N 1 1 321.424 3.916 20 30 DHEDMO C[C@@H](CC#N)[N@@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000161904886 1030958364 /nfs/dbraw/zinc/95/83/64/1030958364.db2.gz QEJMFCAUJUBULS-INIZCTEOSA-N 1 1 321.424 3.916 20 30 DHEDMO COCCCCc1ccc[nH+]c1NCc1cc(C#N)cs1 ZINC000359469240 1030981012 /nfs/dbraw/zinc/98/10/12/1030981012.db2.gz FUNFLPYOUPNQIC-UHFFFAOYSA-N 1 1 301.415 3.596 20 30 DHEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nc3c(s1)CCCC3)CC2 ZINC000926920254 1030994703 /nfs/dbraw/zinc/99/47/03/1030994703.db2.gz QUZBKRDXWWNCCQ-HNNXBMFYSA-N 1 1 309.438 3.671 20 30 DHEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000559048965 1031057419 /nfs/dbraw/zinc/05/74/19/1031057419.db2.gz AWRNRLIGKMELKR-OAHLLOKOSA-N 1 1 310.235 3.789 20 30 DHEDMO COCCCCc1ccc[nH+]c1NCc1ccc(C#N)cc1F ZINC000292530722 1031057278 /nfs/dbraw/zinc/05/72/78/1031057278.db2.gz LVTQBVMKMHYXAU-UHFFFAOYSA-N 1 1 313.376 3.674 20 30 DHEDMO CCCOc1cccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000844370527 1031072850 /nfs/dbraw/zinc/07/28/50/1031072850.db2.gz IEWMNGAETJYRLN-HXUWFJFHSA-N 1 1 324.424 3.512 20 30 DHEDMO Cc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c(Cl)c1 ZINC000844372129 1031074251 /nfs/dbraw/zinc/07/42/51/1031074251.db2.gz VCEUJXDSHSCKMZ-SFHVURJKSA-N 1 1 314.816 3.686 20 30 DHEDMO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(CF)cc2)CC1 ZINC000777617178 1031130065 /nfs/dbraw/zinc/13/00/65/1031130065.db2.gz IPRINLILXRAQHL-HXUWFJFHSA-N 1 1 323.415 3.539 20 30 DHEDMO C=CCOCC[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000559186688 1031158682 /nfs/dbraw/zinc/15/86/82/1031158682.db2.gz UGNWEDITIUDJIQ-UHFFFAOYSA-N 1 1 318.642 3.737 20 30 DHEDMO C=CCOCC[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000559186688 1031158690 /nfs/dbraw/zinc/15/86/90/1031158690.db2.gz UGNWEDITIUDJIQ-UHFFFAOYSA-N 1 1 318.642 3.737 20 30 DHEDMO C=CC[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001144029050 1031185021 /nfs/dbraw/zinc/18/50/21/1031185021.db2.gz OVRMAHLDVLAWSK-WMZOPIPTSA-N 1 1 314.473 3.616 20 30 DHEDMO Cc1nc(NCCCC[N@@H+]2CCC[C@H](C)C2)c(Cl)cc1C#N ZINC000359900127 1031188175 /nfs/dbraw/zinc/18/81/75/1031188175.db2.gz OMPQLWUFKZJRTA-ZDUSSCGKSA-N 1 1 320.868 3.839 20 30 DHEDMO Cc1nc(NC[C@H](C)[N@H+]2CCCC[C@H]2C)c(Cl)cc1C#N ZINC000359907686 1031190373 /nfs/dbraw/zinc/19/03/73/1031190373.db2.gz XAKSAYOYKDJGTQ-NEPJUHHUSA-N 1 1 306.841 3.590 20 30 DHEDMO C=C(C[NH2+]Cc1ncc(Br)s1)c1ccccc1 ZINC000359948068 1031214613 /nfs/dbraw/zinc/21/46/13/1031214613.db2.gz XBHSNOZGYBQAHD-UHFFFAOYSA-N 1 1 309.232 3.709 20 30 DHEDMO N#Cc1cncc(C[N@@H+]2CCC[C@]3(CCc4c3cccc4F)C2)c1 ZINC001144085674 1031220913 /nfs/dbraw/zinc/22/09/13/1031220913.db2.gz AQCAONQGLCPVAM-FQEVSTJZSA-N 1 1 321.399 3.572 20 30 DHEDMO N#Cc1cncc(C[NH+]2CCC(c3ccccc3Cl)CC2)c1 ZINC001144083598 1031235795 /nfs/dbraw/zinc/23/57/95/1031235795.db2.gz LBTCWQDYVFVJPC-UHFFFAOYSA-N 1 1 311.816 3.986 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+]2Cc2ccc(Cl)s2)C1=O ZINC001275694935 1031389612 /nfs/dbraw/zinc/38/96/12/1031389612.db2.gz GCFBQQUBNVQOPB-MRXNPFEDSA-N 1 1 324.877 3.545 20 30 DHEDMO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(Cl)s2)C1=O ZINC001275694935 1031389626 /nfs/dbraw/zinc/38/96/26/1031389626.db2.gz GCFBQQUBNVQOPB-MRXNPFEDSA-N 1 1 324.877 3.545 20 30 DHEDMO C[C@H](C#N)CN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000536711310 1031413151 /nfs/dbraw/zinc/41/31/51/1031413151.db2.gz SBJZVQSWTTUWFA-QGZVFWFLSA-N 1 1 313.489 3.769 20 30 DHEDMO C=CC[N@H+](CCCCCNC(C)=O)Cc1ccc(Cl)s1 ZINC000929131632 1031440901 /nfs/dbraw/zinc/44/09/01/1031440901.db2.gz ZCXKYOYCYGZBDA-UHFFFAOYSA-N 1 1 314.882 3.696 20 30 DHEDMO N#CC1CCC(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)CC1 ZINC000929264932 1031480839 /nfs/dbraw/zinc/48/08/39/1031480839.db2.gz KOLZCCSRIRFXDR-UHFFFAOYSA-N 1 1 320.440 3.560 20 30 DHEDMO CN(C(=O)C[N@@H+](C)CCCCC1(C#N)CCC1)C1CCCCC1 ZINC000929279550 1031484632 /nfs/dbraw/zinc/48/46/32/1031484632.db2.gz GSBVGNQCVRFCSA-UHFFFAOYSA-N 1 1 319.493 3.573 20 30 DHEDMO N#CC1(CCCC[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)CCC1 ZINC000929309267 1031492227 /nfs/dbraw/zinc/49/22/27/1031492227.db2.gz FXXAMUNCUPOINO-KDURUIRLSA-N 1 1 323.484 3.919 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000360670598 1031515082 /nfs/dbraw/zinc/51/50/82/1031515082.db2.gz XRCDAODZISICOE-HXUWFJFHSA-N 1 1 322.383 3.719 20 30 DHEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000360670598 1031515092 /nfs/dbraw/zinc/51/50/92/1031515092.db2.gz XRCDAODZISICOE-HXUWFJFHSA-N 1 1 322.383 3.719 20 30 DHEDMO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000872139996 1031533600 /nfs/dbraw/zinc/53/36/00/1031533600.db2.gz VAVCAWGFYCUIAS-MMKMLUHNSA-N 1 1 310.485 3.679 20 30 DHEDMO C#CCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000360733688 1031539410 /nfs/dbraw/zinc/53/94/10/1031539410.db2.gz MJCNTMZGAWNYGR-AWEZNQCLSA-N 1 1 315.804 3.593 20 30 DHEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(Cc2ccc(C(C)C)cc2)no1 ZINC000872173498 1031550791 /nfs/dbraw/zinc/55/07/91/1031550791.db2.gz PVJHLRXBWJMCIG-CQSZACIVSA-N 1 1 305.809 3.926 20 30 DHEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cccc(OC(C)C)c2)no1 ZINC000872175942 1031551050 /nfs/dbraw/zinc/55/10/50/1031551050.db2.gz MJCQCSXSCWKALW-ZDUSSCGKSA-N 1 1 307.781 3.666 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](CCN(C)C)c1ccccc1 ZINC001171179920 1031563424 /nfs/dbraw/zinc/56/34/24/1031563424.db2.gz YWVOJKLZUIXBNX-UWJYYQICSA-N 1 1 321.468 3.772 20 30 DHEDMO C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000929709175 1031586661 /nfs/dbraw/zinc/58/66/61/1031586661.db2.gz KXAWQMLXQIHJFK-QAVIERHMSA-N 1 1 316.420 3.917 20 30 DHEDMO N#Cc1ccc([C@H]2C[N@@H+](Cc3cccc4[nH]ccc43)CCO2)cc1 ZINC000897591216 1031662674 /nfs/dbraw/zinc/66/26/74/1031662674.db2.gz ILBXPKXWHCPFLZ-HXUWFJFHSA-N 1 1 317.392 3.613 20 30 DHEDMO N#Cc1ccc([C@@H]2C[N@@H+](Cc3cccc4cc[nH]c43)CCO2)cc1 ZINC000897591229 1031662925 /nfs/dbraw/zinc/66/29/25/1031662925.db2.gz IUGOZUIKTGQYEH-IBGZPJMESA-N 1 1 317.392 3.613 20 30 DHEDMO C[N@@H+](CCOc1ccccc1C(C)(C)C)[C@@H]1CC[C@H](C#N)C1 ZINC000561030796 1031688398 /nfs/dbraw/zinc/68/83/98/1031688398.db2.gz HHFZRKYFNRHXRY-JKSUJKDBSA-N 1 1 300.446 3.987 20 30 DHEDMO CC[C@@H](O)C[N@H+](Cc1ccccc1)CC1CCC(C#N)CC1 ZINC000930056923 1031688927 /nfs/dbraw/zinc/68/89/27/1031688927.db2.gz KXLNDDRVLQDTSS-NKELODKYSA-N 1 1 300.446 3.589 20 30 DHEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000361054986 1031699258 /nfs/dbraw/zinc/69/92/58/1031699258.db2.gz VCUYZPLZBFJAQE-CQSZACIVSA-N 1 1 312.335 3.576 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000537467324 1031702302 /nfs/dbraw/zinc/70/23/02/1031702302.db2.gz LWLPVEOZYBLTSM-LJQANCHMSA-N 1 1 301.430 3.642 20 30 DHEDMO C=C(C)COc1cc(C[N@@H+](C(C)C)[C@@H]2CCOC2)ccc1OC ZINC000361061102 1031703774 /nfs/dbraw/zinc/70/37/74/1031703774.db2.gz OSSOUSWHZMXWJV-QGZVFWFLSA-N 1 1 319.445 3.649 20 30 DHEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)cc1 ZINC001144573466 1031721768 /nfs/dbraw/zinc/72/17/68/1031721768.db2.gz LBRDPSQKDRFZBC-KRWDZBQOSA-N 1 1 313.347 3.599 20 30 DHEDMO C#Cc1ccc(C[N@H+](CC)[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001144576876 1031724685 /nfs/dbraw/zinc/72/46/85/1031724685.db2.gz UQLXYFUWYREJAN-QFIPXVFZSA-N 1 1 318.464 3.764 20 30 DHEDMO C#Cc1ccc(CN(CC)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001144576876 1031724702 /nfs/dbraw/zinc/72/47/02/1031724702.db2.gz UQLXYFUWYREJAN-QFIPXVFZSA-N 1 1 318.464 3.764 20 30 DHEDMO C#Cc1ccc(CN(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001144576876 1031724707 /nfs/dbraw/zinc/72/47/07/1031724707.db2.gz UQLXYFUWYREJAN-QFIPXVFZSA-N 1 1 318.464 3.764 20 30 DHEDMO C#Cc1ccc(C[N@H+]2CCO[C@](C)(c3ccc(C)cc3)C2)cc1 ZINC001144576979 1031724887 /nfs/dbraw/zinc/72/48/87/1031724887.db2.gz ZGTXJPMDDCRIAV-NRFANRHFSA-N 1 1 305.421 3.724 20 30 DHEDMO C=CCCCCCCNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000806004681 1031770610 /nfs/dbraw/zinc/77/06/10/1031770610.db2.gz LKOJNKRLMAKGLZ-KRWDZBQOSA-N 1 1 309.498 3.543 20 30 DHEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CC2CCC(C#N)CC2)C1 ZINC000930299611 1031773742 /nfs/dbraw/zinc/77/37/42/1031773742.db2.gz HDWNDAAJZZNSJM-LJGJLOMRSA-N 1 1 318.505 3.968 20 30 DHEDMO C#CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1F)c1ccccc1 ZINC000845946148 1031786051 /nfs/dbraw/zinc/78/60/51/1031786051.db2.gz PPUXQNMBLVKJDW-KRWDZBQOSA-N 1 1 313.372 3.697 20 30 DHEDMO C[C@H](CC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000846006515 1031804714 /nfs/dbraw/zinc/80/47/14/1031804714.db2.gz IVAVVBYSBZMDPZ-UZLBHIALSA-N 1 1 308.425 3.717 20 30 DHEDMO N#Cc1cncc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000930451933 1031822391 /nfs/dbraw/zinc/82/23/91/1031822391.db2.gz XJOTUKCJYDSNLI-VAMGGRTRSA-N 1 1 303.409 3.721 20 30 DHEDMO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1Cc1cncc(C#N)c1 ZINC000930448425 1031823936 /nfs/dbraw/zinc/82/39/36/1031823936.db2.gz DCJIMFBYLQKMMR-DNVCBOLYSA-N 1 1 321.424 3.935 20 30 DHEDMO N#CC1CCC(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)CC1 ZINC000930638072 1031897761 /nfs/dbraw/zinc/89/77/61/1031897761.db2.gz JVAMHEOHVZRSOB-HIEASXQVSA-N 1 1 302.462 3.597 20 30 DHEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1nc2ccccc2o1 ZINC001171223836 1031976012 /nfs/dbraw/zinc/97/60/12/1031976012.db2.gz NXYHZNIHVTWLQE-CQSZACIVSA-N 1 1 305.381 3.762 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1cccc(F)c1F ZINC001171228789 1031990217 /nfs/dbraw/zinc/99/02/17/1031990217.db2.gz IXRNTJZTWVXNTC-ZDUSSCGKSA-N 1 1 300.352 3.899 20 30 DHEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001171232658 1032005449 /nfs/dbraw/zinc/00/54/49/1032005449.db2.gz VBJJQWIDXXSVDF-YWZLYKJASA-N 1 1 324.399 3.782 20 30 DHEDMO C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000931062707 1032021951 /nfs/dbraw/zinc/02/19/51/1032021951.db2.gz SOQRTHHSPYEQNA-YOEHRIQHSA-N 1 1 315.461 3.753 20 30 DHEDMO Cc1cccc(C)c1NC(=O)CCC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000338353968 1033329066 /nfs/dbraw/zinc/32/90/66/1033329066.db2.gz RKZAVXSLJDRWQC-AWEZNQCLSA-N 1 1 313.445 3.646 20 30 DHEDMO CSCc1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)cc1 ZINC000877518171 1033334851 /nfs/dbraw/zinc/33/48/51/1033334851.db2.gz GFGVEXJNVGFKFY-UHFFFAOYSA-N 1 1 317.845 3.759 20 30 DHEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCCc3c(F)cccc32)c1 ZINC000877558156 1033356888 /nfs/dbraw/zinc/35/68/88/1033356888.db2.gz YFBCMAHKECSCRX-INIZCTEOSA-N 1 1 315.779 3.913 20 30 DHEDMO CC[N@H+](Cc1ccc(OCC#N)cc1)Cc1cccc(F)c1F ZINC001137122685 1033366684 /nfs/dbraw/zinc/36/66/84/1033366684.db2.gz NMEZSDYOANZFGF-UHFFFAOYSA-N 1 1 316.351 3.889 20 30 DHEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1cccc(F)c1F ZINC001137122685 1033366697 /nfs/dbraw/zinc/36/66/97/1033366697.db2.gz NMEZSDYOANZFGF-UHFFFAOYSA-N 1 1 316.351 3.889 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877594206 1033373777 /nfs/dbraw/zinc/37/37/77/1033373777.db2.gz PJJNKLUUVKVNSC-KRWDZBQOSA-N 1 1 322.799 3.646 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000877609896 1033378226 /nfs/dbraw/zinc/37/82/26/1033378226.db2.gz FGXMOEQPUZOQLU-RHSMWYFYSA-N 1 1 306.837 3.563 20 30 DHEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c1 ZINC000877739971 1033427834 /nfs/dbraw/zinc/42/78/34/1033427834.db2.gz PSZXWTZMGSRQSA-IRXDYDNUSA-N 1 1 316.470 3.554 20 30 DHEDMO COc1ccccc1[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)CC1 ZINC000877769718 1033442066 /nfs/dbraw/zinc/44/20/66/1033442066.db2.gz MGIJGVCJMDOLKZ-INIZCTEOSA-N 1 1 321.424 3.732 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)Cc1ccccc1C)c1ccccc1 ZINC000877899705 1033502309 /nfs/dbraw/zinc/50/23/09/1033502309.db2.gz DSTPRIYKBCHGPM-OAQYLSRUSA-N 1 1 320.436 3.868 20 30 DHEDMO C=C[C@](C)(O)C[N@@H+](CCC)Cc1cccc(Br)c1 ZINC001252556143 1033510128 /nfs/dbraw/zinc/51/01/28/1033510128.db2.gz BATPZQPDBWULRP-HNNXBMFYSA-N 1 1 312.251 3.598 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@@H+](C)Cc1cccc(F)c1)c1ccccc1 ZINC000877933242 1033521275 /nfs/dbraw/zinc/52/12/75/1033521275.db2.gz QAWJKRRNFHUBOO-FQEVSTJZSA-N 1 1 324.399 3.698 20 30 DHEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)Cc1cccc(F)c1)c1ccccc1 ZINC000877933242 1033521285 /nfs/dbraw/zinc/52/12/85/1033521285.db2.gz QAWJKRRNFHUBOO-FQEVSTJZSA-N 1 1 324.399 3.698 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@@H]1CCC[C@H](C)C1)c1ccccc1 ZINC000877966957 1033534863 /nfs/dbraw/zinc/53/48/63/1033534863.db2.gz ZXSXDOWTTCONLM-PWIZWCRZSA-N 1 1 312.457 3.938 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+](C)[C@@H](C)c1ccco1)c1ccccc1 ZINC000878002640 1033546816 /nfs/dbraw/zinc/54/68/16/1033546816.db2.gz GKSLRYSFQGIRAZ-HNAYVOBHSA-N 1 1 310.397 3.713 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@@H](C)c1ccco1)c1ccccc1 ZINC000878002640 1033546822 /nfs/dbraw/zinc/54/68/22/1033546822.db2.gz GKSLRYSFQGIRAZ-HNAYVOBHSA-N 1 1 310.397 3.713 20 30 DHEDMO CSCC[C@H](C)[N@@H+](C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878251351 1033635608 /nfs/dbraw/zinc/63/56/08/1033635608.db2.gz XOUZCHBUHFDWMX-YJBOKZPZSA-N 1 1 318.486 3.500 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](CC)C1)CC2 ZINC001173273801 1033643129 /nfs/dbraw/zinc/64/31/29/1033643129.db2.gz BQQRSVLXQPTJNP-LMMKCTJWSA-N 1 1 304.478 3.598 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@H+](CC[C@@H]3CCCC3(F)F)CCO2)c1 ZINC000878322486 1033656848 /nfs/dbraw/zinc/65/68/48/1033656848.db2.gz JRJPHABMMVQZLS-IRXDYDNUSA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1cccc([C@@H]2C[N@@H+](CC[C@@H]3CCCC3(F)F)CCO2)c1 ZINC000878322486 1033656855 /nfs/dbraw/zinc/65/68/55/1033656855.db2.gz JRJPHABMMVQZLS-IRXDYDNUSA-N 1 1 320.383 3.757 20 30 DHEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3CCC4(CCC4)O3)CC2)cc1 ZINC000878334195 1033660007 /nfs/dbraw/zinc/66/00/07/1033660007.db2.gz QTAQECQAIMWIMG-LJQANCHMSA-N 1 1 308.425 3.749 20 30 DHEDMO C=CCOC1CCC([N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)CC1 ZINC001173325842 1033685143 /nfs/dbraw/zinc/68/51/43/1033685143.db2.gz RHBUDFNHNRHWEN-CMTQZCSUSA-N 1 1 315.457 3.962 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCCC[C@](C)(C(=O)OCC)C2)CC1 ZINC001173321819 1033685485 /nfs/dbraw/zinc/68/54/85/1033685485.db2.gz PZPGZUPVPRPYLH-TVPLGVNVSA-N 1 1 323.477 3.556 20 30 DHEDMO C=CCOC1CCC([N@H+](C)Cc2cc(OC)cc(OC)c2)CC1 ZINC001173321116 1033686804 /nfs/dbraw/zinc/68/68/04/1033686804.db2.gz WQNQUIXXPYRPHB-UHFFFAOYSA-N 1 1 319.445 3.649 20 30 DHEDMO C=CCOC1CCC([N@H+]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001173327807 1033688510 /nfs/dbraw/zinc/68/85/10/1033688510.db2.gz SRLPULSXKRSLFS-ACBHZAAOSA-N 1 1 301.430 3.574 20 30 DHEDMO N#CCC1CCC([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)CC1 ZINC001173332816 1033691012 /nfs/dbraw/zinc/69/10/12/1033691012.db2.gz GNIYRZASFINEND-AZEMSQPWSA-N 1 1 316.489 3.986 20 30 DHEDMO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCCC2(CCCCC2)C1)C(=O)OCC ZINC001173342177 1033697520 /nfs/dbraw/zinc/69/75/20/1033697520.db2.gz WHEUHMDOZZCBMH-GPMSIDNRSA-N 1 1 305.462 3.977 20 30 DHEDMO CCC(CC)[N@@H+](CC)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878623171 1033774364 /nfs/dbraw/zinc/77/43/64/1033774364.db2.gz GVGVGPWNTOKCCF-IBGZPJMESA-N 1 1 300.446 3.938 20 30 DHEDMO COc1cc(C[N@@H+](C)C2CCC(C)(C#N)CC2)cc(OC)c1 ZINC001173596423 1033780050 /nfs/dbraw/zinc/78/00/50/1033780050.db2.gz WSAONKIOTPCNBF-UHFFFAOYSA-N 1 1 302.418 3.608 20 30 DHEDMO C[N@H+](C[C@H](O)c1ccc(Cl)c(Cl)c1)CC(C)(C)C#N ZINC000878651328 1033785574 /nfs/dbraw/zinc/78/55/74/1033785574.db2.gz ZSUQCHPZVBLRCX-ZDUSSCGKSA-N 1 1 301.217 3.508 20 30 DHEDMO C[N@@H+](C[C@H](O)c1ccc(Cl)c(Cl)c1)CC(C)(C)C#N ZINC000878651328 1033785592 /nfs/dbraw/zinc/78/55/92/1033785592.db2.gz ZSUQCHPZVBLRCX-ZDUSSCGKSA-N 1 1 301.217 3.508 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CCO2)c1 ZINC000862254155 1033797936 /nfs/dbraw/zinc/79/79/36/1033797936.db2.gz WKLYVHBXZGQDOX-HXUWFJFHSA-N 1 1 317.392 3.613 20 30 DHEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CCO2)c1 ZINC000862254155 1033797949 /nfs/dbraw/zinc/79/79/49/1033797949.db2.gz WKLYVHBXZGQDOX-HXUWFJFHSA-N 1 1 317.392 3.613 20 30 DHEDMO C=CCCCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000479546352 1033802547 /nfs/dbraw/zinc/80/25/47/1033802547.db2.gz RKMZOGAEKAXNGO-KRWDZBQOSA-N 1 1 314.473 3.891 20 30 DHEDMO C=CC[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccccn3)c2Cl)C1 ZINC000862440246 1033853334 /nfs/dbraw/zinc/85/33/34/1033853334.db2.gz HAPDHECZJLZBEY-AWEZNQCLSA-N 1 1 316.836 3.627 20 30 DHEDMO C#CC[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000862444224 1033855963 /nfs/dbraw/zinc/85/59/63/1033855963.db2.gz ZTQWPWJSFIVSJI-KRWDZBQOSA-N 1 1 306.409 3.506 20 30 DHEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(OCC)c2)C1 ZINC000862444215 1033856879 /nfs/dbraw/zinc/85/68/79/1033856879.db2.gz ZQTSFIYXUNGODU-CYBMUJFWSA-N 1 1 309.356 3.532 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](CCc2ccccc2Br)C1 ZINC000878887564 1033857429 /nfs/dbraw/zinc/85/74/29/1033857429.db2.gz WBOFMLAWBSVILX-CYBMUJFWSA-N 1 1 307.235 3.617 20 30 DHEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000878951391 1033874793 /nfs/dbraw/zinc/87/47/93/1033874793.db2.gz JWIYUQKOWSOZAU-RHSMWYFYSA-N 1 1 320.502 3.850 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC(F)(F)C[C@@H]1C)c1ccccc1 ZINC000879053470 1033907225 /nfs/dbraw/zinc/90/72/25/1033907225.db2.gz VEIYSSGWHDFRSJ-WMLDXEAASA-N 1 1 320.383 3.547 20 30 DHEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCC(F)(F)C[C@@H]1C)c1ccccc1 ZINC000879053470 1033907231 /nfs/dbraw/zinc/90/72/31/1033907231.db2.gz VEIYSSGWHDFRSJ-WMLDXEAASA-N 1 1 320.383 3.547 20 30 DHEDMO N#CCCC[N@@H+]1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000879059185 1033908576 /nfs/dbraw/zinc/90/85/76/1033908576.db2.gz SEEJDSDLWSTOJQ-HXUWFJFHSA-N 1 1 320.436 3.691 20 30 DHEDMO COC[C@H](C)[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCc2ccccc21 ZINC000879064690 1033910716 /nfs/dbraw/zinc/91/07/16/1033910716.db2.gz MISKLKIKHINXAP-LIRRHRJNSA-N 1 1 310.397 3.676 20 30 DHEDMO CC[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccccc1OC(F)F ZINC000174264795 1033916472 /nfs/dbraw/zinc/91/64/72/1033916472.db2.gz OHBKFYCRFHJZOV-AWEZNQCLSA-N 1 1 306.312 3.994 20 30 DHEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000879099294 1033922254 /nfs/dbraw/zinc/92/22/54/1033922254.db2.gz JRHAUKWGKUXLLG-WMZOPIPTSA-N 1 1 314.473 3.758 20 30 DHEDMO COc1ccc(Nc2ccc(Cn3cc[nH+]c3C)cc2)c(C#N)c1 ZINC001212783443 1033935698 /nfs/dbraw/zinc/93/56/98/1033935698.db2.gz LUKGUHYIAUIQFX-UHFFFAOYSA-N 1 1 318.380 3.864 20 30 DHEDMO CC[C@](C)([NH2+]Cc1ccc(OC)c(C#N)c1)c1nc(C)cs1 ZINC000174498943 1033939303 /nfs/dbraw/zinc/93/93/03/1033939303.db2.gz LWDUEFMPBUIFFB-KRWDZBQOSA-N 1 1 315.442 3.747 20 30 DHEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCC2(CCCCC2)C1 ZINC000554077932 1033954889 /nfs/dbraw/zinc/95/48/89/1033954889.db2.gz YIRQGQQPPLKYGH-QGZVFWFLSA-N 1 1 304.478 3.622 20 30 DHEDMO C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000879415311 1034009086 /nfs/dbraw/zinc/00/90/86/1034009086.db2.gz RQKPNWMYBGFJAT-FUHWJXTLSA-N 1 1 314.473 3.616 20 30 DHEDMO COc1ccc([C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cc1F ZINC000626125964 1034044259 /nfs/dbraw/zinc/04/42/59/1034044259.db2.gz CYOZYDLHIMMKPO-SFHVURJKSA-N 1 1 309.384 3.675 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879557301 1034046546 /nfs/dbraw/zinc/04/65/46/1034046546.db2.gz BRCLIWNPWWPXQY-HZPDHXFCSA-N 1 1 300.471 3.673 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCCC[C@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000898512990 1034070582 /nfs/dbraw/zinc/07/05/82/1034070582.db2.gz OWUMLYNYWGBCEC-RBUKOAKNSA-N 1 1 324.468 3.880 20 30 DHEDMO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)c2ccc(C#N)cc2)no1 ZINC000879681300 1034083609 /nfs/dbraw/zinc/08/36/09/1034083609.db2.gz PMIWBSDAUMZPBZ-ZBHOBAHQSA-N 1 1 322.412 3.721 20 30 DHEDMO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@@H](C)c2cccc(C#N)c2)no1 ZINC000879682246 1034086465 /nfs/dbraw/zinc/08/64/65/1034086465.db2.gz ZUSBBCCEDUSYMQ-ZBHOBAHQSA-N 1 1 322.412 3.721 20 30 DHEDMO C#CC[N@H+](Cc1[nH]nc2c1cccc2C)[C@@H]1CCc2ccccc21 ZINC001137147941 1034156395 /nfs/dbraw/zinc/15/63/95/1034156395.db2.gz LTRVOKUSUVEZGG-HXUWFJFHSA-N 1 1 315.420 3.994 20 30 DHEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN=NCCC(F)(F)F ZINC000794547160 1034171156 /nfs/dbraw/zinc/17/11/56/1034171156.db2.gz ZPKBXORNRXXKAW-UHFFFAOYSA-N 1 1 315.383 3.672 20 30 DHEDMO CC(=O)Nc1ccc2c(c1)C[N@H+](CCCCC(C)(C)C#N)CC2 ZINC000880034443 1034191790 /nfs/dbraw/zinc/19/17/90/1034191790.db2.gz WBVRMMAXJMLPBZ-UHFFFAOYSA-N 1 1 313.445 3.723 20 30 DHEDMO CCC1(CC)CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000880095625 1034207462 /nfs/dbraw/zinc/20/74/62/1034207462.db2.gz IYSDGYWRUVRFRZ-UHFFFAOYSA-N 1 1 310.401 3.763 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1CCCSC[C@@H]1c1ccccc1OC ZINC000880173983 1034231701 /nfs/dbraw/zinc/23/17/01/1034231701.db2.gz KTEYNHGOBVWFPI-NVXWUHKLSA-N 1 1 321.486 3.502 20 30 DHEDMO CSCCON=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000794574634 1034232809 /nfs/dbraw/zinc/23/28/09/1034232809.db2.gz LBHRGKUCPXZRCP-CALCHBBNSA-N 1 1 304.459 3.549 20 30 DHEDMO C=CCC[C@@H](O)C[N@@H+]1CCCSC[C@H]1c1ccccc1OC ZINC000880173985 1034233298 /nfs/dbraw/zinc/23/32/98/1034233298.db2.gz KTEYNHGOBVWFPI-WBVHZDCISA-N 1 1 321.486 3.502 20 30 DHEDMO C=CC[N@H+](CCc1ccccc1C(=O)OC)Cc1cccs1 ZINC000480523731 1034283483 /nfs/dbraw/zinc/28/34/83/1034283483.db2.gz GYGVNGZPIUBSLX-UHFFFAOYSA-N 1 1 315.438 3.765 20 30 DHEDMO N#Cc1cc(F)cc(NC2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001174396552 1034323931 /nfs/dbraw/zinc/32/39/31/1034323931.db2.gz GSKQYSQYJRGDKW-UHFFFAOYSA-N 1 1 307.372 3.899 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C[C@@H](CCC)CC1=O ZINC000794650394 1034327453 /nfs/dbraw/zinc/32/74/53/1034327453.db2.gz KWFYHLNUNWBZLT-SFHVURJKSA-N 1 1 300.446 3.671 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C[C@@H](CCC)CC1=O ZINC000794650394 1034327464 /nfs/dbraw/zinc/32/74/64/1034327464.db2.gz KWFYHLNUNWBZLT-SFHVURJKSA-N 1 1 300.446 3.671 20 30 DHEDMO C[C@@H](CN1CCCCCC1)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000480695357 1034406605 /nfs/dbraw/zinc/40/66/05/1034406605.db2.gz JGVRGAMUKRVELO-GJZGRUSLSA-N 1 1 303.425 3.612 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](C(C)C)[C@H](CC)c2ccccc2)C1=O ZINC001174818380 1034619106 /nfs/dbraw/zinc/61/91/06/1034619106.db2.gz DLMNOXBEKZXPFY-MSOLQXFVSA-N 1 1 300.446 3.635 20 30 DHEDMO N#Cc1ccnc(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC001174844315 1034642708 /nfs/dbraw/zinc/64/27/08/1034642708.db2.gz BRYHVIQZUFNGON-OAHLLOKOSA-N 1 1 313.351 3.611 20 30 DHEDMO C=CCOCC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000555380804 1034667341 /nfs/dbraw/zinc/66/73/41/1034667341.db2.gz KWWLJKQHEVHQQM-ZDUSSCGKSA-N 1 1 316.228 3.649 20 30 DHEDMO C=C(C)C[N@H+]1Cc2cnn(-c3ccccc3F)c2CC(C)(C)C1 ZINC001174975762 1034692388 /nfs/dbraw/zinc/69/23/88/1034692388.db2.gz MYBHADCHQJGHKU-UHFFFAOYSA-N 1 1 313.420 3.972 20 30 DHEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000481281518 1034713766 /nfs/dbraw/zinc/71/37/66/1034713766.db2.gz HFAFXPHQDQWEEW-UHFFFAOYSA-N 1 1 310.397 3.925 20 30 DHEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000481281518 1034713780 /nfs/dbraw/zinc/71/37/80/1034713780.db2.gz HFAFXPHQDQWEEW-UHFFFAOYSA-N 1 1 310.397 3.925 20 30 DHEDMO C=CCC1(C(=O)N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)CCCC1 ZINC000899511913 1034720189 /nfs/dbraw/zinc/72/01/89/1034720189.db2.gz XXSGFSOHWSDZOI-UHFFFAOYSA-N 1 1 315.461 3.869 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000188469523 1034744731 /nfs/dbraw/zinc/74/47/31/1034744731.db2.gz LKXZJBBNXXJPDV-UYAOXDASSA-N 1 1 314.473 3.569 20 30 DHEDMO Cc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc(C)c1O ZINC000600212270 1034806772 /nfs/dbraw/zinc/80/67/72/1034806772.db2.gz BGSLEBXMZVNDHL-UHFFFAOYSA-N 1 1 306.409 3.633 20 30 DHEDMO N#CCc1cccc2c1CC[N@@H+](C[C@@H]1CCOc3ccccc31)C2 ZINC000600212251 1034806946 /nfs/dbraw/zinc/80/69/46/1034806946.db2.gz ATKMLFSSMOBCBF-SFHVURJKSA-N 1 1 318.420 3.677 20 30 DHEDMO CC(C)[N@@H+](CCc1nccs1)Cc1cn2ccccc2c1C#N ZINC000159867223 1035099401 /nfs/dbraw/zinc/09/94/01/1035099401.db2.gz UQVXNMQUXKLEDL-UHFFFAOYSA-N 1 1 324.453 3.721 20 30 DHEDMO Cc1nc(C)c([C@H](C)[N@H+](C)CC#Cc2ccc(F)cc2)s1 ZINC000160061708 1035129421 /nfs/dbraw/zinc/12/94/21/1035129421.db2.gz XWBSSMHOFDGAHZ-ZDUSSCGKSA-N 1 1 302.418 3.944 20 30 DHEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CC#Cc2ccc(F)cc2)s1 ZINC000160061708 1035129426 /nfs/dbraw/zinc/12/94/26/1035129426.db2.gz XWBSSMHOFDGAHZ-ZDUSSCGKSA-N 1 1 302.418 3.944 20 30 DHEDMO C#CC1(NC(=O)c2ccc(C[N@H+](CC)CCC)cc2)CCCC1 ZINC001175863631 1035147231 /nfs/dbraw/zinc/14/72/31/1035147231.db2.gz UEAKJEDPSMKWNL-UHFFFAOYSA-N 1 1 312.457 3.594 20 30 DHEDMO CCN(C[C@H](C)C#N)C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000160405334 1035183470 /nfs/dbraw/zinc/18/34/70/1035183470.db2.gz RENNVBYPFFPMIK-MRXNPFEDSA-N 1 1 315.461 3.539 20 30 DHEDMO CC[C@H](C)C[N@@H+](CC)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000482844667 1035187724 /nfs/dbraw/zinc/18/77/24/1035187724.db2.gz PKDKALDIUPMMKN-LBPRGKRZSA-N 1 1 307.825 3.518 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(COC)cs1 ZINC000668145262 1035191114 /nfs/dbraw/zinc/19/11/14/1035191114.db2.gz HDXSFNNWXAICSP-UHFFFAOYSA-N 1 1 321.442 3.558 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(COC)cs1 ZINC000668145262 1035191117 /nfs/dbraw/zinc/19/11/17/1035191117.db2.gz HDXSFNNWXAICSP-UHFFFAOYSA-N 1 1 321.442 3.558 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1 ZINC001176193226 1035216867 /nfs/dbraw/zinc/21/68/67/1035216867.db2.gz NAUYZBGXQHXWOI-HOCLYGCPSA-N 1 1 311.322 3.842 20 30 DHEDMO Cn1cc(C[N@H+]2CC[C@](C)(CCc3ccccc3)C2)cc1C#N ZINC000483256331 1035247468 /nfs/dbraw/zinc/24/74/68/1035247468.db2.gz CMOGJTOKCPMUOC-FQEVSTJZSA-N 1 1 307.441 3.742 20 30 DHEDMO CC[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CC[C@H]1c1ccccc1 ZINC000483275358 1035250739 /nfs/dbraw/zinc/25/07/39/1035250739.db2.gz YENOMLUOKPTEGU-YLJYHZDGSA-N 1 1 307.441 3.912 20 30 DHEDMO C#CC[N@@H+](C[C@@H]1CC[C@H](C2CC2)O1)[C@@H]1CCCc2ccccc21 ZINC001176452369 1035271234 /nfs/dbraw/zinc/27/12/34/1035271234.db2.gz KDVNRQAOVZLFMF-CEWLAPEOSA-N 1 1 309.453 3.957 20 30 DHEDMO C[N@@H+](CCOc1ccccc1Cl)Cc1ccc(C#N)c(F)c1 ZINC000483541897 1035276932 /nfs/dbraw/zinc/27/69/32/1035276932.db2.gz URHUAFCIVDMIOE-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000483586048 1035282263 /nfs/dbraw/zinc/28/22/63/1035282263.db2.gz UYGVLMNSEGNGJK-SFHVURJKSA-N 1 1 305.377 3.604 20 30 DHEDMO CCc1ccccc1C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001176588657 1035290580 /nfs/dbraw/zinc/29/05/80/1035290580.db2.gz UPJAIJWCQRZULB-FQEVSTJZSA-N 1 1 306.409 3.694 20 30 DHEDMO O=C(C[C@H]1CCC[N@H+]1CC#Cc1ccccc1)c1ccc(F)cc1 ZINC000484063306 1035317592 /nfs/dbraw/zinc/31/75/92/1035317592.db2.gz AWZYXZJUBIWCDQ-HXUWFJFHSA-N 1 1 321.395 3.915 20 30 DHEDMO C[C@H]1CCC[C@H](CC[N@H+]2CCc3c(C#N)c(N)sc3C2)C1 ZINC001176777095 1035328513 /nfs/dbraw/zinc/32/85/13/1035328513.db2.gz HSHSWWUEIHYKFK-QWHCGFSZSA-N 1 1 303.475 3.776 20 30 DHEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1sncc1Br ZINC001176771649 1035330541 /nfs/dbraw/zinc/33/05/41/1035330541.db2.gz PXYBAUZKRVYEGP-JTQLQIEISA-N 1 1 301.253 3.836 20 30 DHEDMO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC001176833227 1035332552 /nfs/dbraw/zinc/33/25/52/1035332552.db2.gz TVVGMOOPTWIUON-LJQANCHMSA-N 1 1 306.409 3.648 20 30 DHEDMO CCc1ccc2c(c1)C[N@H+](CCCOc1cccc(C#N)c1)CC2 ZINC001177033488 1035344568 /nfs/dbraw/zinc/34/45/68/1035344568.db2.gz GAXZIVHDSMMOKA-UHFFFAOYSA-N 1 1 320.436 3.948 20 30 DHEDMO C[C@H](C#N)c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)cc1 ZINC001177621458 1035385593 /nfs/dbraw/zinc/38/55/93/1035385593.db2.gz CDTSUJRGUMLMIX-KDOFPFPSSA-N 1 1 323.396 3.510 20 30 DHEDMO C[C@H](C#N)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)cc1 ZINC001177621458 1035385597 /nfs/dbraw/zinc/38/55/97/1035385597.db2.gz CDTSUJRGUMLMIX-KDOFPFPSSA-N 1 1 323.396 3.510 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2ccc(OC(C)C)cc2)no1 ZINC000904570334 1035430239 /nfs/dbraw/zinc/43/02/39/1035430239.db2.gz WLUYZKFPGFUFPP-MRXNPFEDSA-N 1 1 315.417 3.804 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H](OC)c2ccccc2Cl)no1 ZINC000904639093 1035438411 /nfs/dbraw/zinc/43/84/11/1035438411.db2.gz HCGRISLCRSBTPB-ZIAGYGMSSA-N 1 1 321.808 3.815 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H](OC)c2ccccc2Cl)no1 ZINC000904639087 1035438536 /nfs/dbraw/zinc/43/85/36/1035438536.db2.gz HCGRISLCRSBTPB-KGLIPLIRSA-N 1 1 321.808 3.815 20 30 DHEDMO CC1(C)c2ccccc2CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000773763284 1035441136 /nfs/dbraw/zinc/44/11/36/1035441136.db2.gz ZYMIRZHMRPBYQT-UHFFFAOYSA-N 1 1 306.409 3.882 20 30 DHEDMO C[N@H+]1CCCC[C@H]1C(=O)Nc1ccccc1-c1ccc(C#N)cc1 ZINC001178697865 1035443857 /nfs/dbraw/zinc/44/38/57/1035443857.db2.gz POXIIHSEAVNFJS-IBGZPJMESA-N 1 1 319.408 3.648 20 30 DHEDMO C=CCCC[C@H]([NH3+])c1nc(C(C)(C)c2cccc(F)c2)no1 ZINC000904696373 1035445273 /nfs/dbraw/zinc/44/52/73/1035445273.db2.gz UYMFBGNTAACDCC-AWEZNQCLSA-N 1 1 303.381 3.891 20 30 DHEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(-n3cc(C)cn3)cc2)no1 ZINC000904736430 1035450100 /nfs/dbraw/zinc/45/01/00/1035450100.db2.gz PQZWESNHKLSXTH-MRXNPFEDSA-N 1 1 323.400 3.587 20 30 DHEDMO C[C@@H]1OCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@H]1C ZINC000485238420 1035503234 /nfs/dbraw/zinc/50/32/34/1035503234.db2.gz ZIENKZXQKZCLNM-HOTGVXAUSA-N 1 1 306.409 3.834 20 30 DHEDMO CC(C)(C)C1=CC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000535406348 1035609351 /nfs/dbraw/zinc/60/93/51/1035609351.db2.gz NZFMPRSWFFIZGY-UHFFFAOYSA-N 1 1 322.412 3.786 20 30 DHEDMO CC(C)(C)C1=CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000535406348 1035609360 /nfs/dbraw/zinc/60/93/60/1035609360.db2.gz NZFMPRSWFFIZGY-UHFFFAOYSA-N 1 1 322.412 3.786 20 30 DHEDMO N#CCCCCNc1cc(NC(=O)Nc2ccccc2)cc[nH+]1 ZINC001168427673 1035613076 /nfs/dbraw/zinc/61/30/76/1035613076.db2.gz LZWUEXPDIHFSJH-UHFFFAOYSA-N 1 1 309.373 3.831 20 30 DHEDMO COc1cc(C[N@@H+](C)[C@H]2CCc3ccccc3C2)ccc1C#N ZINC000442884931 1035693355 /nfs/dbraw/zinc/69/33/55/1035693355.db2.gz ZZKISNITCIJARX-IBGZPJMESA-N 1 1 306.409 3.556 20 30 DHEDMO CCC[N@H+](CC(=O)OC(C)(C)C)[C@@H](C)c1cccc(C#N)c1 ZINC000442896177 1035706793 /nfs/dbraw/zinc/70/67/93/1035706793.db2.gz KLYQXZIGDSKIFN-AWEZNQCLSA-N 1 1 302.418 3.673 20 30 DHEDMO CCC[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)c1cccc(C#N)c1 ZINC000442896177 1035706813 /nfs/dbraw/zinc/70/68/13/1035706813.db2.gz KLYQXZIGDSKIFN-AWEZNQCLSA-N 1 1 302.418 3.673 20 30 DHEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@H]1CCc3cc(F)ccc3C1)C2 ZINC001168429949 1035736961 /nfs/dbraw/zinc/73/69/61/1035736961.db2.gz XFJPSCAKHJNEQV-FQEVSTJZSA-N 1 1 306.384 3.613 20 30 DHEDMO C=CC[N@@H+](C)CCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000494693095 1035776035 /nfs/dbraw/zinc/77/60/35/1035776035.db2.gz ZOERZZWXXKWLPK-UHFFFAOYSA-N 1 1 324.424 3.712 20 30 DHEDMO N#Cc1ccc(Cn2c[nH+]c3c2CCCC3)c(C(F)(F)F)c1 ZINC000594900993 1035793452 /nfs/dbraw/zinc/79/34/52/1035793452.db2.gz RUOHDUSWWUKMEA-UHFFFAOYSA-N 1 1 305.303 3.701 20 30 DHEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000193305810 1035860585 /nfs/dbraw/zinc/86/05/85/1035860585.db2.gz AROLJCOAJPXXQB-UHFFFAOYSA-N 1 1 318.436 3.720 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(C)cc1O)c1ccc(Cl)cc1F ZINC001181698639 1035975702 /nfs/dbraw/zinc/97/57/02/1035975702.db2.gz UQOCBKPXRVEUQH-INIZCTEOSA-N 1 1 303.764 3.957 20 30 DHEDMO CC#CC[N@H+]1CCN(Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001194666669 1035989098 /nfs/dbraw/zinc/98/90/98/1035989098.db2.gz UBKAZVXWINTHLA-IBGZPJMESA-N 1 1 318.892 3.896 20 30 DHEDMO CCCCC[N@@H+](C)CCC(=O)Nc1ccc(C#N)c2ncccc12 ZINC001181866797 1036025394 /nfs/dbraw/zinc/02/53/94/1036025394.db2.gz FKPBDIKXJPFCSV-UHFFFAOYSA-N 1 1 324.428 3.557 20 30 DHEDMO CC1(C)CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000075768044 1036028575 /nfs/dbraw/zinc/02/85/75/1036028575.db2.gz UGGKNJUEYHCVQJ-UHFFFAOYSA-N 1 1 310.401 3.620 20 30 DHEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(F)cc2C#N)C1 ZINC000540296669 1036031495 /nfs/dbraw/zinc/03/14/95/1036031495.db2.gz ANOQQLCNMKVFRI-KDOFPFPSSA-N 1 1 309.388 3.945 20 30 DHEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001194807752 1036042191 /nfs/dbraw/zinc/04/21/91/1036042191.db2.gz UBPHPCQDUSNKMQ-RBUKOAKNSA-N 1 1 324.424 3.683 20 30 DHEDMO CC(C)[C@H](C[NH2+]Cc1ccc(C#N)s1)N1CCCCCC1 ZINC000540542896 1036097071 /nfs/dbraw/zinc/09/70/71/1036097071.db2.gz FFPSZFPGBPUQDT-KRWDZBQOSA-N 1 1 305.491 3.610 20 30 DHEDMO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)N1CCC(C)CC1 ZINC000540597866 1036111316 /nfs/dbraw/zinc/11/13/16/1036111316.db2.gz XWIYAYSDIFAAOC-PXNSSMCTSA-N 1 1 313.489 3.965 20 30 DHEDMO C=C(C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC001182246222 1036144463 /nfs/dbraw/zinc/14/44/63/1036144463.db2.gz QFBLEGJSSXSAQM-LJQANCHMSA-N 1 1 308.425 3.552 20 30 DHEDMO C=C(C)CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC001182246222 1036144470 /nfs/dbraw/zinc/14/44/70/1036144470.db2.gz QFBLEGJSSXSAQM-LJQANCHMSA-N 1 1 308.425 3.552 20 30 DHEDMO C=CCCCNC(=O)[C@@H](c1ccccc1)[N@H+](CC)CCCC ZINC001182237759 1036154163 /nfs/dbraw/zinc/15/41/63/1036154163.db2.gz RUEUAYXDUKDMQD-GOSISDBHSA-N 1 1 302.462 3.932 20 30 DHEDMO C=CCC1(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC)CCCC1 ZINC001626016100 1036186478 /nfs/dbraw/zinc/18/64/78/1036186478.db2.gz PZARSRIQMMEBFY-KRWDZBQOSA-N 1 1 306.494 3.894 20 30 DHEDMO COc1ccc(C[N@@H+](Cc2ccc(CC#N)cc2)C2CC2)cc1 ZINC000541282407 1036286648 /nfs/dbraw/zinc/28/66/48/1036286648.db2.gz LPEYKTJKOJGAML-UHFFFAOYSA-N 1 1 306.409 3.926 20 30 DHEDMO C#C[C@H]([NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O)[C@H]1CCCO1 ZINC000774364869 1036302021 /nfs/dbraw/zinc/30/20/21/1036302021.db2.gz SZXICWRTLKNUPE-ZDBHGNHJSA-N 1 1 314.212 3.530 20 30 DHEDMO C=CCOCC[N@H+](C)[C@@H]1CCCc2c(OC)ccc(Cl)c21 ZINC001195729147 1036318082 /nfs/dbraw/zinc/31/80/82/1036318082.db2.gz NSOWQHUQAPNIJL-OAHLLOKOSA-N 1 1 309.837 3.860 20 30 DHEDMO CC(C)[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC1CCC1 ZINC000193213242 1036326358 /nfs/dbraw/zinc/32/63/58/1036326358.db2.gz RQTMVVNLEGCMBB-UHFFFAOYSA-N 1 1 322.456 3.969 20 30 DHEDMO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC001195799974 1036352359 /nfs/dbraw/zinc/35/23/59/1036352359.db2.gz YFPRGCGRLPKEDL-KRWDZBQOSA-N 1 1 314.429 3.645 20 30 DHEDMO N#CC1(CCCCN2CCC[C@@H]([NH+]3CCCC3)CC2)CCC1 ZINC000929689199 1036354016 /nfs/dbraw/zinc/35/40/16/1036354016.db2.gz WTAGVVRFTVPDEP-GOSISDBHSA-N 1 1 303.494 3.801 20 30 DHEDMO CCCCCCCCC[N@@H+]1CCn2c(CC3CC3)nnc2C1 ZINC001195819135 1036356983 /nfs/dbraw/zinc/35/69/83/1036356983.db2.gz QTXZHQWLWQWCFA-UHFFFAOYSA-N 1 1 304.482 3.797 20 30 DHEDMO CCCCCCCCC[N@H+]1CCn2c(CC3CC3)nnc2C1 ZINC001195819135 1036357001 /nfs/dbraw/zinc/35/70/01/1036357001.db2.gz QTXZHQWLWQWCFA-UHFFFAOYSA-N 1 1 304.482 3.797 20 30 DHEDMO CSC[C@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000486797126 1036410653 /nfs/dbraw/zinc/41/06/53/1036410653.db2.gz DEZPXTSCRXJUFO-OAHLLOKOSA-N 1 1 313.388 3.884 20 30 DHEDMO C=CCSCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000541742138 1036417661 /nfs/dbraw/zinc/41/76/61/1036417661.db2.gz ZSSATHLEKWAWTH-MRXNPFEDSA-N 1 1 321.877 3.672 20 30 DHEDMO C=CC[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)[C@@H](C)COC ZINC001196047724 1036430924 /nfs/dbraw/zinc/43/09/24/1036430924.db2.gz CHQJUGANIAHRQA-XHDPSFHLSA-N 1 1 318.244 3.550 20 30 DHEDMO C=CC[C@@H]1CCC[N@H+](Cc2c3ccccc3[nH]c2C(=O)OC)C1 ZINC001182796775 1036447760 /nfs/dbraw/zinc/44/77/60/1036447760.db2.gz YVDNTDFPPGCYGL-CQSZACIVSA-N 1 1 312.413 3.743 20 30 DHEDMO CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CC#N)CC1 ZINC000541919519 1036460842 /nfs/dbraw/zinc/46/08/42/1036460842.db2.gz NBTCXSAXYIEXHT-UHFFFAOYSA-N 1 1 313.489 3.770 20 30 DHEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@H](C)OC ZINC000542001596 1036487509 /nfs/dbraw/zinc/48/75/09/1036487509.db2.gz SBCMLQQONZKUDG-NSHDSACASA-N 1 1 316.214 3.611 20 30 DHEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](C)OC ZINC000542001596 1036487515 /nfs/dbraw/zinc/48/75/15/1036487515.db2.gz SBCMLQQONZKUDG-NSHDSACASA-N 1 1 316.214 3.611 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000774603412 1036547000 /nfs/dbraw/zinc/54/70/00/1036547000.db2.gz SDFAEDSNYNQWOY-CVEARBPZSA-N 1 1 310.482 3.920 20 30 DHEDMO C=CCc1cc(OC)cc(C[N@H+]2CC3(CCC3)C[C@@H]2C)c1O ZINC000762139366 1036553547 /nfs/dbraw/zinc/55/35/47/1036553547.db2.gz GQWBHLBPKMEZMK-AWEZNQCLSA-N 1 1 301.430 3.894 20 30 DHEDMO C[C@@H]1CC2(CCC2)C[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000762142298 1036555287 /nfs/dbraw/zinc/55/52/87/1036555287.db2.gz NCYQZGKXPVKKKW-OAHLLOKOSA-N 1 1 306.413 3.644 20 30 DHEDMO C#CC[N@H+](C[C@@H](C)c1ccc(C(F)(F)F)cc1)C1CSC1 ZINC001183419199 1036592711 /nfs/dbraw/zinc/59/27/11/1036592711.db2.gz JAXPQPZVPCJCAI-GFCCVEGCSA-N 1 1 313.388 3.860 20 30 DHEDMO CC[N@@H+](CCNc1ccc(Cl)cc1C#N)CCC(F)(F)F ZINC000491589196 1036614274 /nfs/dbraw/zinc/61/42/74/1036614274.db2.gz OSOYNSOXIWZBOG-UHFFFAOYSA-N 1 1 319.758 3.898 20 30 DHEDMO CCCOc1ncccc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271931919 1036688747 /nfs/dbraw/zinc/68/87/47/1036688747.db2.gz IPVJZCYMFMEPSW-ZDUSSCGKSA-N 1 1 313.376 3.732 20 30 DHEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1nc2ccccc2s1 ZINC001197116895 1036690603 /nfs/dbraw/zinc/69/06/03/1036690603.db2.gz VNQQSIPYTDXIHO-UHFFFAOYSA-N 1 1 307.422 3.842 20 30 DHEDMO COc1ccc(Cl)c(C[N@@H+](C)CCc2cccc(C#N)c2)c1 ZINC001197116083 1036691876 /nfs/dbraw/zinc/69/18/76/1036691876.db2.gz PBOROZHWORCJFT-UHFFFAOYSA-N 1 1 314.816 3.895 20 30 DHEDMO CCCOc1ncccc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271931917 1036693304 /nfs/dbraw/zinc/69/33/04/1036693304.db2.gz IPVJZCYMFMEPSW-CYBMUJFWSA-N 1 1 313.376 3.732 20 30 DHEDMO CCCCCCCC[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001273739094 1036708568 /nfs/dbraw/zinc/70/85/68/1036708568.db2.gz XHWAJOYUIDNZSI-VSZNYVQBSA-N 1 1 306.494 3.536 20 30 DHEDMO CCc1noc(CC)c1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271943839 1036732446 /nfs/dbraw/zinc/73/24/46/1036732446.db2.gz MUZFGZDLXILMES-LLVKDONJSA-N 1 1 301.365 3.661 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000492265908 1036811839 /nfs/dbraw/zinc/81/18/39/1036811839.db2.gz LTGMJMKLPJHWKW-JKSUJKDBSA-N 1 1 320.864 3.804 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000492265908 1036811863 /nfs/dbraw/zinc/81/18/63/1036811863.db2.gz LTGMJMKLPJHWKW-JKSUJKDBSA-N 1 1 320.864 3.804 20 30 DHEDMO CC[C@H](C#N)Oc1cccc(CNc2[nH+]c3ccccc3n2C)c1 ZINC000762531826 1036812685 /nfs/dbraw/zinc/81/26/85/1036812685.db2.gz BXSFUPOUBQMSRN-OAHLLOKOSA-N 1 1 320.396 3.866 20 30 DHEDMO COCC1([N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC001197582400 1036814408 /nfs/dbraw/zinc/81/44/08/1036814408.db2.gz PRCGHTFLLCNLFW-UHFFFAOYSA-N 1 1 311.347 3.558 20 30 DHEDMO C#CCCOc1ccc(C[NH2+]Cc2nc3c(cccc3C)[nH]2)cc1 ZINC000153577154 1036830098 /nfs/dbraw/zinc/83/00/98/1036830098.db2.gz NODRWKVHPQDNGH-UHFFFAOYSA-N 1 1 319.408 3.563 20 30 DHEDMO C#CCCOc1ccc(C[NH2+]Cc2nc3cccc(C)c3[nH]2)cc1 ZINC000153577154 1036830129 /nfs/dbraw/zinc/83/01/29/1036830129.db2.gz NODRWKVHPQDNGH-UHFFFAOYSA-N 1 1 319.408 3.563 20 30 DHEDMO CC(C)(C)OC[C@H]1CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001197630191 1036835863 /nfs/dbraw/zinc/83/58/63/1036835863.db2.gz NDRNIPVINZUXRF-QGZVFWFLSA-N 1 1 316.445 3.607 20 30 DHEDMO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000488141383 1036868066 /nfs/dbraw/zinc/86/80/66/1036868066.db2.gz QCJPCSGEKSUEND-UHFFFAOYSA-N 1 1 310.426 3.516 20 30 DHEDMO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000488141383 1036868085 /nfs/dbraw/zinc/86/80/85/1036868085.db2.gz QCJPCSGEKSUEND-UHFFFAOYSA-N 1 1 310.426 3.516 20 30 DHEDMO Cc1cc(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)ccc1C#N ZINC000488306464 1036963740 /nfs/dbraw/zinc/96/37/40/1036963740.db2.gz HGXCZJUBIBCOBB-LJQANCHMSA-N 1 1 316.408 3.663 20 30 DHEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CCc1ccc(C#N)cc1 ZINC001198174743 1036966138 /nfs/dbraw/zinc/96/61/38/1036966138.db2.gz WVSBCEFDZQVNFT-WWMYMODYSA-N 1 1 320.436 3.951 20 30 DHEDMO CCCCCCCCCC[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC001198201816 1036969528 /nfs/dbraw/zinc/96/95/28/1036969528.db2.gz DONPKPMZNPKNJD-GOSISDBHSA-N 1 1 307.482 3.934 20 30 DHEDMO CCCCCCCCCC[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC001198201816 1036969536 /nfs/dbraw/zinc/96/95/36/1036969536.db2.gz DONPKPMZNPKNJD-GOSISDBHSA-N 1 1 307.482 3.934 20 30 DHEDMO C[C@H](C1CCC1)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000492750373 1036993327 /nfs/dbraw/zinc/99/33/27/1036993327.db2.gz QKUITONUQRPSNB-LLVKDONJSA-N 1 1 307.235 3.941 20 30 DHEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C(C)(C)C1 ZINC000492787991 1037011800 /nfs/dbraw/zinc/01/18/00/1037011800.db2.gz GTXJXGDFJUSYAV-LLVKDONJSA-N 1 1 307.235 3.941 20 30 DHEDMO C=CCC[C@@H]1CCC[N@H+]1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC001198414418 1037015548 /nfs/dbraw/zinc/01/55/48/1037015548.db2.gz RBDNSQBCQQIYRV-UYAOXDASSA-N 1 1 312.457 3.685 20 30 DHEDMO N#Cc1ccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)cc1 ZINC001203907105 1037026509 /nfs/dbraw/zinc/02/65/09/1037026509.db2.gz KAJZLLBNYOQHRD-UHFFFAOYSA-N 1 1 319.383 3.755 20 30 DHEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1nc(C)c(C#N)cc1Cl ZINC001185099274 1037027664 /nfs/dbraw/zinc/02/76/64/1037027664.db2.gz ZSBGWUMODSTADK-OAHLLOKOSA-N 1 1 320.868 3.982 20 30 DHEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000492844693 1037031390 /nfs/dbraw/zinc/03/13/90/1037031390.db2.gz DRYSKRDCHPTFCW-XHDPSFHLSA-N 1 1 307.235 3.941 20 30 DHEDMO C=CCCCCC[N@@H+](C)Cc1nc(Cc2cccc(F)c2)no1 ZINC000488470217 1037039247 /nfs/dbraw/zinc/03/92/47/1037039247.db2.gz UTKDPAABEHPAJF-UHFFFAOYSA-N 1 1 317.408 3.978 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1nc(Cc2cccc(F)c2)no1 ZINC000488470217 1037039259 /nfs/dbraw/zinc/03/92/59/1037039259.db2.gz UTKDPAABEHPAJF-UHFFFAOYSA-N 1 1 317.408 3.978 20 30 DHEDMO C#C[C@H]1CCCC[N@@H+]1CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001198527201 1037051278 /nfs/dbraw/zinc/05/12/78/1037051278.db2.gz YYMFUCKVNKMIEH-IRXDYDNUSA-N 1 1 320.477 3.511 20 30 DHEDMO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000488531260 1037057570 /nfs/dbraw/zinc/05/75/70/1037057570.db2.gz UEYVKTRSEFXLGP-GFCCVEGCSA-N 1 1 303.431 3.521 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000488531260 1037057590 /nfs/dbraw/zinc/05/75/90/1037057590.db2.gz UEYVKTRSEFXLGP-GFCCVEGCSA-N 1 1 303.431 3.521 20 30 DHEDMO C=CC[C@H](C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000488613819 1037092624 /nfs/dbraw/zinc/09/26/24/1037092624.db2.gz OIKGEEDGPBFLDT-LMMKCTJWSA-N 1 1 314.473 3.725 20 30 DHEDMO C#CCCCCCC[N@@H+]1[C@H](C)C[C@H](C)[C@@H](C(=O)OCC)[C@@H]1C ZINC001198668029 1037102779 /nfs/dbraw/zinc/10/27/79/1037102779.db2.gz SICPEOLYTYEWNH-XWTMOSNGSA-N 1 1 307.478 3.868 20 30 DHEDMO Cn1c[nH+]c2c1ccc1c2CCCN1Cc1ccc(F)c(C#N)c1 ZINC001198676613 1037104722 /nfs/dbraw/zinc/10/47/22/1037104722.db2.gz WYAJOJHAHQPDSR-UHFFFAOYSA-N 1 1 320.371 3.537 20 30 DHEDMO Cn1c[nH+]c2c1ccc1c2CCCN1CC#Cc1ccc(F)cc1 ZINC001198676819 1037106548 /nfs/dbraw/zinc/10/65/48/1037106548.db2.gz ZYFOKUAUXRPKGW-UHFFFAOYSA-N 1 1 319.383 3.517 20 30 DHEDMO C=CC[C@H](C(=O)NCC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000488685395 1037107134 /nfs/dbraw/zinc/10/71/34/1037107134.db2.gz AHKRNNBLFVQOOT-FQEVSTJZSA-N 1 1 322.452 3.595 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](c1ccccc1C)C(C)C ZINC000488774139 1037132640 /nfs/dbraw/zinc/13/26/40/1037132640.db2.gz ZVISXWGROUXNTI-FQEVSTJZSA-N 1 1 314.473 3.825 20 30 DHEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@]23CCCOC3)c1 ZINC001198827843 1037135516 /nfs/dbraw/zinc/13/55/16/1037135516.db2.gz HYQGNXXDFIGFPX-QGZVFWFLSA-N 1 1 304.821 3.747 20 30 DHEDMO Cc1cc(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ncc1C#N ZINC001185949565 1037269091 /nfs/dbraw/zinc/26/90/91/1037269091.db2.gz RIYSGXICSYKKCQ-AEFFLSMTSA-N 1 1 320.440 3.584 20 30 DHEDMO Cc1nc(C#N)cc(Nc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)n1 ZINC001186021924 1037292454 /nfs/dbraw/zinc/29/24/54/1037292454.db2.gz IDFBUIBFXYCURO-UHFFFAOYSA-N 1 1 320.400 3.585 20 30 DHEDMO Cc1cc(C#N)cc(C)c1CNC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001199638965 1037293721 /nfs/dbraw/zinc/29/37/21/1037293721.db2.gz IRQHIQVIPMPSKG-QRWLVFNGSA-N 1 1 313.489 3.775 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2nccn2C)cc1 ZINC000489438068 1037431600 /nfs/dbraw/zinc/43/16/00/1037431600.db2.gz LRVHCXPQUJWSCM-QGZVFWFLSA-N 1 1 311.429 3.540 20 30 DHEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2sccc2[C@H]1CC ZINC000489489238 1037459712 /nfs/dbraw/zinc/45/97/12/1037459712.db2.gz ZJQOPWMWPXZRLW-GDBMZVCRSA-N 1 1 318.486 3.624 20 30 DHEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2sccc2[C@H]1CC ZINC000489489238 1037459722 /nfs/dbraw/zinc/45/97/22/1037459722.db2.gz ZJQOPWMWPXZRLW-GDBMZVCRSA-N 1 1 318.486 3.624 20 30 DHEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N1CCc2sccc2[C@H]1CC ZINC000489489239 1037461183 /nfs/dbraw/zinc/46/11/83/1037461183.db2.gz ZJQOPWMWPXZRLW-GOEBONIOSA-N 1 1 318.486 3.624 20 30 DHEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2sccc2[C@H]1CC ZINC000489489239 1037461194 /nfs/dbraw/zinc/46/11/94/1037461194.db2.gz ZJQOPWMWPXZRLW-GOEBONIOSA-N 1 1 318.486 3.624 20 30 DHEDMO COCC[N@H+](Cc1ccc(F)cc1C#N)[C@@H](C)c1ccccc1 ZINC000489650487 1037505565 /nfs/dbraw/zinc/50/55/65/1037505565.db2.gz RVQPJQFFUFPKMP-HNNXBMFYSA-N 1 1 312.388 3.907 20 30 DHEDMO COCC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H](C)c1ccccc1 ZINC000489650487 1037505590 /nfs/dbraw/zinc/50/55/90/1037505590.db2.gz RVQPJQFFUFPKMP-HNNXBMFYSA-N 1 1 312.388 3.907 20 30 DHEDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763242318 1037525936 /nfs/dbraw/zinc/52/59/36/1037525936.db2.gz UONPVCGRNMPPPW-NHCUHLMSSA-N 1 1 320.436 3.847 20 30 DHEDMO C=C(C)CNC(=O)[C@@H]1CC(F)(F)CC[N@H+]1[C@H](C)c1ccccc1 ZINC001187036352 1037563134 /nfs/dbraw/zinc/56/31/34/1037563134.db2.gz LDVVIJXHFOHVME-ZBFHGGJFSA-N 1 1 322.399 3.540 20 30 DHEDMO C=C(C)CNC(=O)[C@@H]1CC(F)(F)CC[N@@H+]1[C@H](C)c1ccccc1 ZINC001187036352 1037563145 /nfs/dbraw/zinc/56/31/45/1037563145.db2.gz LDVVIJXHFOHVME-ZBFHGGJFSA-N 1 1 322.399 3.540 20 30 DHEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000490029219 1037581542 /nfs/dbraw/zinc/58/15/42/1037581542.db2.gz XISBXWGUOIAMSH-LJQANCHMSA-N 1 1 321.424 3.514 20 30 DHEDMO C=CCOc1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)c1 ZINC000490056492 1037597357 /nfs/dbraw/zinc/59/73/57/1037597357.db2.gz DIUKEVMVQNGOAA-LJQANCHMSA-N 1 1 324.424 3.883 20 30 DHEDMO C=CCOc1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)c1 ZINC000490056492 1037597371 /nfs/dbraw/zinc/59/73/71/1037597371.db2.gz DIUKEVMVQNGOAA-LJQANCHMSA-N 1 1 324.424 3.883 20 30 DHEDMO COCC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCC[C@@H]1C ZINC000488061560 1037609793 /nfs/dbraw/zinc/60/97/93/1037609793.db2.gz KXQJYTJMZYHEHJ-SUMWQHHRSA-N 1 1 306.837 3.849 20 30 DHEDMO SC1CC[NH+](C/C(Br)=C/c2ccccc2)CC1 ZINC001201461358 1037686642 /nfs/dbraw/zinc/68/66/42/1037686642.db2.gz ZZJWOUVGDUMYLB-RAXLEYEMSA-N 1 1 312.276 3.817 20 30 DHEDMO Cc1ccc(C)c(N[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000916346065 1037741724 /nfs/dbraw/zinc/74/17/24/1037741724.db2.gz UYIDOGCCSDWOQC-UHFFFAOYSA-N 1 1 309.413 3.586 20 30 DHEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490594226 1037746951 /nfs/dbraw/zinc/74/69/51/1037746951.db2.gz YCZXFHGOGXGNRD-RDTXWAMCSA-N 1 1 308.429 3.579 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H](C)CCC)[C@H]2CC ZINC001201542840 1037751402 /nfs/dbraw/zinc/75/14/02/1037751402.db2.gz MEYWPHSJNPLUIJ-AOIWGVFYSA-N 1 1 306.494 3.844 20 30 DHEDMO CCCC[C@H](CC)C[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001201568340 1037782184 /nfs/dbraw/zinc/78/21/84/1037782184.db2.gz QYPGHSIOOOISHA-KRWDZBQOSA-N 1 1 314.477 3.682 20 30 DHEDMO O=[N+]([O-])c1ccc(C[N@H+](CC#Cc2ccc(F)cc2)C2CC2)cc1 ZINC000490801325 1037817674 /nfs/dbraw/zinc/81/76/74/1037817674.db2.gz JPGWTNDKWNPURM-UHFFFAOYSA-N 1 1 324.355 3.750 20 30 DHEDMO CCC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763396774 1037817391 /nfs/dbraw/zinc/81/73/91/1037817391.db2.gz FVVQQRZLTNKYAO-HXUWFJFHSA-N 1 1 324.424 3.512 20 30 DHEDMO CCc1ccc(C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C2CC2)cc1 ZINC000763396574 1037817627 /nfs/dbraw/zinc/81/76/27/1037817627.db2.gz OFDLFLWZBXEWAX-OAQYLSRUSA-N 1 1 320.436 3.819 20 30 DHEDMO O=[N+]([O-])c1ccc(C[N@@H+](CC#Cc2ccc(F)cc2)C2CC2)cc1 ZINC000490801325 1037817704 /nfs/dbraw/zinc/81/77/04/1037817704.db2.gz JPGWTNDKWNPURM-UHFFFAOYSA-N 1 1 324.355 3.750 20 30 DHEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763410624 1037823885 /nfs/dbraw/zinc/82/38/85/1037823885.db2.gz NASBCARMCYLJDD-WOJBJXKFSA-N 1 1 306.409 3.601 20 30 DHEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000763411765 1037829550 /nfs/dbraw/zinc/82/95/50/1037829550.db2.gz VCRQMBIRQUQZQW-RTWAWAEBSA-N 1 1 322.452 3.853 20 30 DHEDMO Cc1cc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)ccc1C#N ZINC000488162289 1037847380 /nfs/dbraw/zinc/84/73/80/1037847380.db2.gz WTCIITHQYNLDLF-HXUWFJFHSA-N 1 1 305.425 3.943 20 30 DHEDMO CCCCCOc1cc(C[NH+]2CCC(C#N)CC2)ccc1OC ZINC000123731707 1037864720 /nfs/dbraw/zinc/86/47/20/1037864720.db2.gz GWOBZZHUNDSILB-UHFFFAOYSA-N 1 1 316.445 4.000 20 30 DHEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCCCCC)[C@H]2CC ZINC001201746464 1037871023 /nfs/dbraw/zinc/87/10/23/1037871023.db2.gz HOOZSNUYBONXJU-HKUYNNGSSA-N 1 1 306.494 3.988 20 30 DHEDMO C=CCOCc1ncn2c1C[N@@H+](CCCCCCC)CCC2 ZINC001201762469 1037883869 /nfs/dbraw/zinc/88/38/69/1037883869.db2.gz MCJZZOFOKYVGGJ-UHFFFAOYSA-N 1 1 305.466 3.762 20 30 DHEDMO CCCCCCC[N@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001201762879 1037886465 /nfs/dbraw/zinc/88/64/65/1037886465.db2.gz YGZGJEJLQPVPNF-OALUTQOASA-N 1 1 318.461 3.664 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001201797763 1037896374 /nfs/dbraw/zinc/89/63/74/1037896374.db2.gz FKZQHYRGEOOCDB-GOSISDBHSA-N 1 1 318.461 3.599 20 30 DHEDMO CCCCCCC[N@H+]1CCC[C@H](Oc2ccc(C(N)=O)cc2)C1 ZINC001201797766 1037897436 /nfs/dbraw/zinc/89/74/36/1037897436.db2.gz FKZQHYRGEOOCDB-SFHVURJKSA-N 1 1 318.461 3.599 20 30 DHEDMO CCCCCCCC[NH+]1CCN(c2nccnc2Cl)CC1 ZINC001201804600 1037898956 /nfs/dbraw/zinc/89/89/56/1037898956.db2.gz PQMJPYKKEQUPDH-UHFFFAOYSA-N 1 1 310.873 3.613 20 30 DHEDMO CCCCCCCC[N@H+]1CCc2onc(Cn3ccnc3)c2C1 ZINC001201813168 1037899875 /nfs/dbraw/zinc/89/98/75/1037899875.db2.gz BLSNEVKYOOAXMC-UHFFFAOYSA-N 1 1 316.449 3.638 20 30 DHEDMO CCCCCCCC[N@H+]1CCn2cnc(COCC3CC3)c2C1 ZINC001201813001 1037900150 /nfs/dbraw/zinc/90/01/50/1037900150.db2.gz AFZAIRADCORHTD-UHFFFAOYSA-N 1 1 319.493 3.986 20 30 DHEDMO CCCCCCCC[N@@H+]1Cc2cnn(C)c2[C@H](COCC)C1 ZINC001201813620 1037901627 /nfs/dbraw/zinc/90/16/27/1037901627.db2.gz HJRAFQZGPUANQF-KRWDZBQOSA-N 1 1 307.482 3.716 20 30 DHEDMO CCCCCCC[N@@H+]1Cc2cn(CC)nc2[C@H](COCC)C1 ZINC001201776336 1037905924 /nfs/dbraw/zinc/90/59/24/1037905924.db2.gz BVKMDFOJCCIDNL-KRWDZBQOSA-N 1 1 307.482 3.809 20 30 DHEDMO C=C(C)[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000186450384 1037906072 /nfs/dbraw/zinc/90/60/72/1037906072.db2.gz HGVLGIQAORIBCC-RKVPGOIHSA-N 1 1 306.400 3.798 20 30 DHEDMO CCCCCCCC[N@@H+]1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001201826316 1037910723 /nfs/dbraw/zinc/91/07/23/1037910723.db2.gz RMKVEYLITXKRAD-GOSISDBHSA-N 1 1 323.502 3.895 20 30 DHEDMO CCCCCCCC[N@H+]1CC[C@@H](S(=O)(=O)c2ccccc2)C1 ZINC001201826316 1037910736 /nfs/dbraw/zinc/91/07/36/1037910736.db2.gz RMKVEYLITXKRAD-GOSISDBHSA-N 1 1 323.502 3.895 20 30 DHEDMO CCCCCCCCC[N@@H+]1Cc2ccnn2C[C@@H](COC)C1 ZINC001201847065 1037921421 /nfs/dbraw/zinc/92/14/21/1037921421.db2.gz RFUZLUWGMCRVML-KRWDZBQOSA-N 1 1 307.482 3.712 20 30 DHEDMO CCCCCCCCC[N@H+]1CCC(O)=C(C(=O)OCC)CC1 ZINC001201847703 1037921907 /nfs/dbraw/zinc/92/19/07/1037921907.db2.gz ZUUUUVNRBFICGF-MRXNPFEDSA-N 1 1 311.466 3.581 20 30 DHEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000586784739 1037967671 /nfs/dbraw/zinc/96/76/71/1037967671.db2.gz CMIPYHZAZJGZKI-UHFFFAOYSA-N 1 1 323.415 3.718 20 30 DHEDMO C/C(=C\c1ccccc1)C[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000494242322 1038001403 /nfs/dbraw/zinc/00/14/03/1038001403.db2.gz RNOGHFXISONCFT-LFIBNONCSA-N 1 1 319.408 3.532 20 30 DHEDMO C/C(=C\c1ccccc1)C[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000494242322 1038001427 /nfs/dbraw/zinc/00/14/27/1038001427.db2.gz RNOGHFXISONCFT-LFIBNONCSA-N 1 1 319.408 3.532 20 30 DHEDMO CC[N@@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)C[C@H](C)C#N ZINC000164225560 1038102792 /nfs/dbraw/zinc/10/27/92/1038102792.db2.gz GNKPYVMIVVRTOM-CYBMUJFWSA-N 1 1 304.434 3.680 20 30 DHEDMO CC[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)C[C@H](C)C#N ZINC000164225560 1038102807 /nfs/dbraw/zinc/10/28/07/1038102807.db2.gz GNKPYVMIVVRTOM-CYBMUJFWSA-N 1 1 304.434 3.680 20 30 DHEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCc2ccccc21 ZINC000917041508 1038124605 /nfs/dbraw/zinc/12/46/05/1038124605.db2.gz ZPWGQXIUQASISS-FQEVSTJZSA-N 1 1 306.409 3.946 20 30 DHEDMO C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000571689511 1038181334 /nfs/dbraw/zinc/18/13/34/1038181334.db2.gz UHHVJUZRRRCGGH-GOEBONIOSA-N 1 1 310.445 3.853 20 30 DHEDMO C#CCOc1ccc([C@@H](C)NC2CC[NH+](CCCC)CC2)cc1 ZINC000164463641 1038191414 /nfs/dbraw/zinc/19/14/14/1038191414.db2.gz FGCYUIBHPLMUGY-QGZVFWFLSA-N 1 1 314.473 3.614 20 30 DHEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cnc(C3CCC3)s2)c1 ZINC000760679122 1038236046 /nfs/dbraw/zinc/23/60/46/1038236046.db2.gz JGIKRNHXLQVVPW-UHFFFAOYSA-N 1 1 301.390 3.711 20 30 DHEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCCCCC#N)C1 ZINC000588365296 1038309123 /nfs/dbraw/zinc/30/91/23/1038309123.db2.gz PVMMMEORDAUKHN-QZTJIDSGSA-N 1 1 319.493 3.573 20 30 DHEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)C1CCC(C(C)(C)C)CC1 ZINC001190590482 1038352342 /nfs/dbraw/zinc/35/23/42/1038352342.db2.gz ZTUYPBRQLYOFMZ-OFLPRAFFSA-N 1 1 306.494 3.968 20 30 DHEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)nc1 ZINC000572301101 1038356348 /nfs/dbraw/zinc/35/63/48/1038356348.db2.gz XHHNHHCTGQEFHV-XUVXKRRUSA-N 1 1 303.409 3.721 20 30 DHEDMO C#CC[N@H+](Cc1nc2cc(Cl)ccc2n1C)C1CCCCC1 ZINC001190707503 1038367709 /nfs/dbraw/zinc/36/77/09/1038367709.db2.gz JASKVMZJZUYGQM-UHFFFAOYSA-N 1 1 315.848 3.995 20 30 DHEDMO CCCCCCCNC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001191118532 1038444063 /nfs/dbraw/zinc/44/40/63/1038444063.db2.gz KTBPQLOGGOUMHS-SFHVURJKSA-N 1 1 317.477 3.531 20 30 DHEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC001191162584 1038453376 /nfs/dbraw/zinc/45/33/76/1038453376.db2.gz LUYCJGPLAMDFJO-KRWDZBQOSA-N 1 1 315.461 3.756 20 30 DHEDMO C[C@]1(C#N)CCC[N@@H+](CCn2ccc3cc(Cl)ccc32)C1 ZINC000589258807 1038454180 /nfs/dbraw/zinc/45/41/80/1038454180.db2.gz RDFZBOOXIGWWRU-QGZVFWFLSA-N 1 1 301.821 3.920 20 30 DHEDMO C[N@H+]1CCN(Cc2cc(Cl)cc(C#N)c2)C2(CCCCC2)C1 ZINC001191306116 1038483880 /nfs/dbraw/zinc/48/38/80/1038483880.db2.gz NHBBZNYYZUQMGM-UHFFFAOYSA-N 1 1 317.864 3.662 20 30 DHEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCS1 ZINC000589502107 1038487781 /nfs/dbraw/zinc/48/77/81/1038487781.db2.gz NDRZPYRSBPAPIL-UHFFFAOYSA-N 1 1 314.376 3.904 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCS1 ZINC000589502107 1038487784 /nfs/dbraw/zinc/48/77/84/1038487784.db2.gz NDRZPYRSBPAPIL-UHFFFAOYSA-N 1 1 314.376 3.904 20 30 DHEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cncc(C#N)c2)C12CCCCC2 ZINC001191320655 1038489129 /nfs/dbraw/zinc/48/91/29/1038489129.db2.gz VUAIYONYSRAJAR-MSOLQXFVSA-N 1 1 313.445 3.513 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000499057206 1038539904 /nfs/dbraw/zinc/53/99/04/1038539904.db2.gz SUCPOBHSSMUXCI-HNNXBMFYSA-N 1 1 320.502 3.916 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000499057206 1038539905 /nfs/dbraw/zinc/53/99/05/1038539905.db2.gz SUCPOBHSSMUXCI-HNNXBMFYSA-N 1 1 320.502 3.916 20 30 DHEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCc1ccc(C#N)cc1 ZINC001191743957 1038540825 /nfs/dbraw/zinc/54/08/25/1038540825.db2.gz XJXSBRNGWRHNFE-ZWKOTPCHSA-N 1 1 300.446 3.626 20 30 DHEDMO C=CCOc1ccc(C[N@H+](C[C@@H](COC)OC)C(C)(C)C)cc1 ZINC001192052371 1038586146 /nfs/dbraw/zinc/58/61/46/1038586146.db2.gz DYCZCXIXNWEFRK-SFHVURJKSA-N 1 1 321.461 3.513 20 30 DHEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H](O)Cc1ccccc1 ZINC000590120119 1038587460 /nfs/dbraw/zinc/58/74/60/1038587460.db2.gz WYDOXOQGVSPCHZ-HXUWFJFHSA-N 1 1 322.452 3.523 20 30 DHEDMO CSCc1cnc(C[NH2+][C@@H](C)c2cccc(C#N)c2)s1 ZINC000590186873 1038599768 /nfs/dbraw/zinc/59/97/68/1038599768.db2.gz PUDKXNNLDRXGDT-NSHDSACASA-N 1 1 303.456 3.729 20 30 DHEDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000590178824 1038606895 /nfs/dbraw/zinc/60/68/95/1038606895.db2.gz WVUPCBMATGREGL-SFHVURJKSA-N 1 1 308.429 3.810 20 30 DHEDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000590178824 1038606900 /nfs/dbraw/zinc/60/69/00/1038606900.db2.gz WVUPCBMATGREGL-SFHVURJKSA-N 1 1 308.429 3.810 20 30 DHEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001192302873 1038632102 /nfs/dbraw/zinc/63/21/02/1038632102.db2.gz NFMCGIUZPTVWEK-CKNLXJGOSA-N 1 1 324.399 3.739 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](Sc3ccncc3)C2)c1 ZINC001203762740 1038696769 /nfs/dbraw/zinc/69/67/69/1038696769.db2.gz PXYWRPCKWWLCRH-SFHVURJKSA-N 1 1 309.438 3.710 20 30 DHEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000590755459 1038697227 /nfs/dbraw/zinc/69/72/27/1038697227.db2.gz JRDXOTBZHRLXLV-QRVBRYPASA-N 1 1 312.457 3.613 20 30 DHEDMO N#CC1CC[NH+](Cn2c3ccccc3nc2SC(F)F)CC1 ZINC000057823915 1038750175 /nfs/dbraw/zinc/75/01/75/1038750175.db2.gz RNYDLYJTPUQYKO-UHFFFAOYSA-N 1 1 322.384 3.544 20 30 DHEDMO C[N@@H+]1CCCC[C@@H](CN[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000599071869 1039028379 /nfs/dbraw/zinc/02/83/79/1039028379.db2.gz UZCDRHCYSZNURH-PXNSSMCTSA-N 1 1 311.473 3.647 20 30 DHEDMO C[N@H+]1CCCC[C@@H](CN[C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000599071869 1039028399 /nfs/dbraw/zinc/02/83/99/1039028399.db2.gz UZCDRHCYSZNURH-PXNSSMCTSA-N 1 1 311.473 3.647 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1csc2ccccc12 ZINC000046089548 1039082565 /nfs/dbraw/zinc/08/25/65/1039082565.db2.gz OUILZXPTFNYQDB-UHFFFAOYSA-N 1 1 314.454 3.534 20 30 DHEDMO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1csc2ccccc12 ZINC000046089548 1039082585 /nfs/dbraw/zinc/08/25/85/1039082585.db2.gz OUILZXPTFNYQDB-UHFFFAOYSA-N 1 1 314.454 3.534 20 30 DHEDMO CCC[N@@H+](CCOc1ccc(OC)cc1)Cc1ccc(C#N)cc1 ZINC000603681450 1039111459 /nfs/dbraw/zinc/11/14/59/1039111459.db2.gz OYJSZMAYJVJMQK-UHFFFAOYSA-N 1 1 324.424 3.858 20 30 DHEDMO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2ccncc2C#N)c1 ZINC000592098479 1039120052 /nfs/dbraw/zinc/12/00/52/1039120052.db2.gz AXBQWPTTZKMTOF-IFXJQAMLSA-N 1 1 307.397 3.545 20 30 DHEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2ccncc2C#N)c1 ZINC000592098479 1039120064 /nfs/dbraw/zinc/12/00/64/1039120064.db2.gz AXBQWPTTZKMTOF-IFXJQAMLSA-N 1 1 307.397 3.545 20 30 DHEDMO CC(C)(C#N)CCCC[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC000592133041 1039124321 /nfs/dbraw/zinc/12/43/21/1039124321.db2.gz MIUPTRMBHVXXGX-UHFFFAOYSA-N 1 1 321.415 3.807 20 30 DHEDMO C[C@]1(Cc2ccccc2F)CCC[N@H+]1CCCSCC#N ZINC000592143473 1039127939 /nfs/dbraw/zinc/12/79/39/1039127939.db2.gz CQOAOJAAUCBWNT-QGZVFWFLSA-N 1 1 306.450 3.870 20 30 DHEDMO COc1cc(C#N)ccc1C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000592138037 1039131849 /nfs/dbraw/zinc/13/18/49/1039131849.db2.gz SLXIJAATLGIRFE-UHFFFAOYSA-N 1 1 312.800 3.999 20 30 DHEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](O)[C@H]2CCc2ccccc2)cc1 ZINC000592169381 1039161890 /nfs/dbraw/zinc/16/18/90/1039161890.db2.gz ZSFRRUFEIVASIN-RTWAWAEBSA-N 1 1 320.436 3.516 20 30 DHEDMO C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CC1(C#N)CC1 ZINC000599654379 1039257906 /nfs/dbraw/zinc/25/79/06/1039257906.db2.gz ZVPFLGVEQKETNY-TZMCWYRMSA-N 1 1 319.246 3.931 20 30 DHEDMO C/C=C/C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000599690989 1039260736 /nfs/dbraw/zinc/26/07/36/1039260736.db2.gz PZCOJWSLLJFAOD-BAABZTOOSA-N 1 1 317.458 3.627 20 30 DHEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC000604017586 1039283427 /nfs/dbraw/zinc/28/34/27/1039283427.db2.gz NGCIZJYTNIDVIJ-IBGZPJMESA-N 1 1 324.399 3.783 20 30 DHEDMO Cc1cc(C)cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000058580543 1039294425 /nfs/dbraw/zinc/29/44/25/1039294425.db2.gz HEWDYIMVDYIFDN-UHFFFAOYSA-N 1 1 319.452 3.887 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c(Cl)c1 ZINC000574196973 1039418043 /nfs/dbraw/zinc/41/80/43/1039418043.db2.gz NQQZROKQPOHCIF-NVXWUHKLSA-N 1 1 304.821 3.603 20 30 DHEDMO C[C@H]([NH2+][C@@H](CCO)c1ccccc1F)c1ccc(C#N)cc1F ZINC000592401877 1039463799 /nfs/dbraw/zinc/46/37/99/1039463799.db2.gz DMKKTENBTWZKRI-SGTLLEGYSA-N 1 1 316.351 3.611 20 30 DHEDMO N#CC1(C[NH2+]Cc2ccc(F)c(Br)c2)CCCC1 ZINC000593649325 1039577555 /nfs/dbraw/zinc/57/75/55/1039577555.db2.gz AFDPCIRSFBXBBM-UHFFFAOYSA-N 1 1 311.198 3.762 20 30 DHEDMO N#CCCn1cc(C[N@H+]2CCC23CCCC3)c(-c2ccccc2)n1 ZINC000593644632 1039577849 /nfs/dbraw/zinc/57/78/49/1039577849.db2.gz DPROYJUGFNNBJR-UHFFFAOYSA-N 1 1 320.440 3.982 20 30 DHEDMO CC[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)[C@@H](CC)CO1 ZINC000593662020 1039584576 /nfs/dbraw/zinc/58/45/76/1039584576.db2.gz WSNORXODEWXQSQ-ROUUACIJSA-N 1 1 316.445 3.759 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C2(CCC2)CO1 ZINC000593680180 1039587683 /nfs/dbraw/zinc/58/76/83/1039587683.db2.gz SPLKTCIFCFJWDR-MRXNPFEDSA-N 1 1 314.429 3.513 20 30 DHEDMO C=CCCC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000605149923 1039639934 /nfs/dbraw/zinc/63/99/34/1039639934.db2.gz QDCJEZREXUHTDR-LSDHHAIUSA-N 1 1 300.229 3.850 20 30 DHEDMO C=CCOc1ccc(CNCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000594054075 1039673905 /nfs/dbraw/zinc/67/39/05/1039673905.db2.gz OROMKJHZFROILI-CALCHBBNSA-N 1 1 302.462 3.604 20 30 DHEDMO C=CCOc1ccc(CNCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000594054075 1039673914 /nfs/dbraw/zinc/67/39/14/1039673914.db2.gz OROMKJHZFROILI-CALCHBBNSA-N 1 1 302.462 3.604 20 30 DHEDMO N#Cc1c(F)cccc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000059018936 1039713377 /nfs/dbraw/zinc/71/33/77/1039713377.db2.gz MCSSUPYBBNJPCI-MRXNPFEDSA-N 1 1 309.388 3.774 20 30 DHEDMO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593959194 1039809462 /nfs/dbraw/zinc/80/94/62/1039809462.db2.gz RQWZASOTPYIEOV-SFHVURJKSA-N 1 1 307.397 3.689 20 30 DHEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000593959194 1039809489 /nfs/dbraw/zinc/80/94/89/1039809489.db2.gz RQWZASOTPYIEOV-SFHVURJKSA-N 1 1 307.397 3.689 20 30 DHEDMO COc1ccc(C[C@H]2CCCC[N@H+]2Cc2ccc(C#N)cn2)cc1 ZINC000594014365 1039940683 /nfs/dbraw/zinc/94/06/83/1039940683.db2.gz CAGQNDUNCIPOJK-LJQANCHMSA-N 1 1 321.424 3.559 20 30 DHEDMO Cc1cccc(-c2n[nH]cc2C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000594981217 1039990486 /nfs/dbraw/zinc/99/04/86/1039990486.db2.gz KYXXSSDPKORDID-UHFFFAOYSA-N 1 1 308.429 3.949 20 30 DHEDMO Cc1ccccc1-n1cc(C[NH2+]CC2(C#N)CCCCC2)cn1 ZINC000594981762 1039997783 /nfs/dbraw/zinc/99/77/83/1039997783.db2.gz UXHHEYWYHIZKGL-UHFFFAOYSA-N 1 1 308.429 3.744 20 30 DHEDMO C[C@H](C[NH+]1CCC(C)CC1)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594982774 1040002396 /nfs/dbraw/zinc/00/23/96/1040002396.db2.gz HBKWCRPQLIJRGU-QGZVFWFLSA-N 1 1 313.489 3.698 20 30 DHEDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000595001998 1040013426 /nfs/dbraw/zinc/01/34/26/1040013426.db2.gz ZIXIJKIKQADJBL-UHFFFAOYSA-N 1 1 301.478 3.698 20 30 DHEDMO CCCN(C)CC(C)(C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000595001998 1040013437 /nfs/dbraw/zinc/01/34/37/1040013437.db2.gz ZIXIJKIKQADJBL-UHFFFAOYSA-N 1 1 301.478 3.698 20 30 DHEDMO C=CCCSCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000595058652 1040023022 /nfs/dbraw/zinc/02/30/22/1040023022.db2.gz IHJJZKGGDYZQRK-HKUYNNGSSA-N 1 1 318.530 3.796 20 30 DHEDMO C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccc(C#N)cc1F ZINC000595101632 1040065659 /nfs/dbraw/zinc/06/56/59/1040065659.db2.gz YCFRXXQQBADBPR-LBPRGKRZSA-N 1 1 312.392 3.549 20 30 DHEDMO C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1ccc(C#N)cc1F ZINC000595101631 1040066628 /nfs/dbraw/zinc/06/66/28/1040066628.db2.gz YCFRXXQQBADBPR-GFCCVEGCSA-N 1 1 312.392 3.549 20 30 DHEDMO C[C@@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(C#N)c(F)c1 ZINC000595078756 1040072098 /nfs/dbraw/zinc/07/20/98/1040072098.db2.gz AQWQOVBNZBQCSP-PBHICJAKSA-N 1 1 315.436 3.755 20 30 DHEDMO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)c1ccc(C#N)c(F)c1 ZINC000595078756 1040072110 /nfs/dbraw/zinc/07/21/10/1040072110.db2.gz AQWQOVBNZBQCSP-PBHICJAKSA-N 1 1 315.436 3.755 20 30 DHEDMO Cn1cc[nH+]c1C[C@H](Nc1ccc(C#N)cc1F)c1ccccc1 ZINC000078558997 1040084589 /nfs/dbraw/zinc/08/45/89/1040084589.db2.gz JXDGJYMYNYNURE-SFHVURJKSA-N 1 1 320.371 3.827 20 30 DHEDMO N#Cc1ccc(CC[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000595325431 1040107402 /nfs/dbraw/zinc/10/74/02/1040107402.db2.gz HVTKQSGVASZWDH-NRFANRHFSA-N 1 1 320.436 3.639 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCN2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000595407699 1040130590 /nfs/dbraw/zinc/13/05/90/1040130590.db2.gz KGFKEKZDLHDKSC-HDICACEKSA-N 1 1 323.484 3.625 20 30 DHEDMO N#C[C@H](c1ccccc1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000595472163 1040147826 /nfs/dbraw/zinc/14/78/26/1040147826.db2.gz JBMYBNGWRSUCOE-IEBWSBKVSA-N 1 1 320.440 3.664 20 30 DHEDMO CCCCC[N@@H+](CCC(=O)Nc1ccccc1C#N)C(C)C ZINC000063246992 1040165965 /nfs/dbraw/zinc/16/59/65/1040165965.db2.gz FSYQOXRGZRSICU-UHFFFAOYSA-N 1 1 301.434 3.787 20 30 DHEDMO CCOC1CC([N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000575082036 1040179073 /nfs/dbraw/zinc/17/90/73/1040179073.db2.gz OWTUOADVYZXLNV-UHFFFAOYSA-N 1 1 311.347 3.556 20 30 DHEDMO N#CC[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000595617370 1040192220 /nfs/dbraw/zinc/19/22/20/1040192220.db2.gz ZICCHFXRZPKKLT-HNNXBMFYSA-N 1 1 306.331 3.683 20 30 DHEDMO N#CC[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000595617370 1040192230 /nfs/dbraw/zinc/19/22/30/1040192230.db2.gz ZICCHFXRZPKKLT-HNNXBMFYSA-N 1 1 306.331 3.683 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595617349 1040193280 /nfs/dbraw/zinc/19/32/80/1040193280.db2.gz SAFYBSJUMWXTCG-GFCCVEGCSA-N 1 1 307.319 3.703 20 30 DHEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595617349 1040193284 /nfs/dbraw/zinc/19/32/84/1040193284.db2.gz SAFYBSJUMWXTCG-GFCCVEGCSA-N 1 1 307.319 3.703 20 30 DHEDMO C[C@@H](CCC#N)[N@@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595619325 1040193629 /nfs/dbraw/zinc/19/36/29/1040193629.db2.gz XUSFYDKMLHZOPY-WMLDXEAASA-N 1 1 314.429 3.620 20 30 DHEDMO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)ccc1Br ZINC000595623326 1040194987 /nfs/dbraw/zinc/19/49/87/1040194987.db2.gz MYGWUANEQCAIBD-ZDUSSCGKSA-N 1 1 307.235 3.883 20 30 DHEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1Br ZINC000595623326 1040194993 /nfs/dbraw/zinc/19/49/93/1040194993.db2.gz MYGWUANEQCAIBD-ZDUSSCGKSA-N 1 1 307.235 3.883 20 30 DHEDMO N#C[C@@H]1CC[C@H]([NH+]2CCN(c3ccc(Cl)cc3Cl)CC2)C1 ZINC000595658962 1040217027 /nfs/dbraw/zinc/21/70/27/1040217027.db2.gz LCMVKQYIAVLFJT-OCCSQVGLSA-N 1 1 324.255 3.808 20 30 DHEDMO C=CC[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000595658448 1040217043 /nfs/dbraw/zinc/21/70/43/1040217043.db2.gz JIBBFWFFXZWTAJ-KRWDZBQOSA-N 1 1 320.440 3.747 20 30 DHEDMO N#CC1(CCC[N@@H+]2CC[C@H]2c2ccc(F)cc2)CCOCC1 ZINC000595700595 1040222072 /nfs/dbraw/zinc/22/20/72/1040222072.db2.gz CFHPPAQSWIXLMZ-KRWDZBQOSA-N 1 1 302.393 3.673 20 30 DHEDMO CC[C@@]1(C)CCC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000173424335 1040263277 /nfs/dbraw/zinc/26/32/77/1040263277.db2.gz JUKGWVJNUFZMHL-IBGZPJMESA-N 1 1 323.444 3.595 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094811 1040307187 /nfs/dbraw/zinc/30/71/87/1040307187.db2.gz MKTGHHSEIMJKLS-RXVVDRJESA-N 1 1 323.484 3.647 20 30 DHEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596094811 1040307193 /nfs/dbraw/zinc/30/71/93/1040307193.db2.gz MKTGHHSEIMJKLS-RXVVDRJESA-N 1 1 323.484 3.647 20 30 DHEDMO CCCC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000063615712 1040388947 /nfs/dbraw/zinc/38/89/47/1040388947.db2.gz POESCCRZLBSLFO-UHFFFAOYSA-N 1 1 319.836 3.805 20 30 DHEDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C3(C#N)CC3)cc2)on1 ZINC000596989493 1040623682 /nfs/dbraw/zinc/62/36/82/1040623682.db2.gz AHMIEUVAOVRKRD-QGZVFWFLSA-N 1 1 307.397 3.875 20 30 DHEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012026 1040624319 /nfs/dbraw/zinc/62/43/19/1040624319.db2.gz KNUKPDLCEHCTMI-VQIMIIECSA-N 1 1 311.473 3.546 20 30 DHEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012026 1040624329 /nfs/dbraw/zinc/62/43/29/1040624329.db2.gz KNUKPDLCEHCTMI-VQIMIIECSA-N 1 1 311.473 3.546 20 30 DHEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012026 1040624333 /nfs/dbraw/zinc/62/43/33/1040624333.db2.gz KNUKPDLCEHCTMI-VQIMIIECSA-N 1 1 311.473 3.546 20 30 DHEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012026 1040624341 /nfs/dbraw/zinc/62/43/41/1040624341.db2.gz KNUKPDLCEHCTMI-VQIMIIECSA-N 1 1 311.473 3.546 20 30 DHEDMO N#CC1(c2ccc(C[N@@H+]3CCOC[C@@H]3c3ccccc3)cc2)CC1 ZINC000597015068 1040634568 /nfs/dbraw/zinc/63/45/68/1040634568.db2.gz UUOJQVXBGOQNOL-HXUWFJFHSA-N 1 1 318.420 3.815 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCOC[C@@H]3c3ccccc3)cc2)CC1 ZINC000597015068 1040634575 /nfs/dbraw/zinc/63/45/75/1040634575.db2.gz UUOJQVXBGOQNOL-HXUWFJFHSA-N 1 1 318.420 3.815 20 30 DHEDMO N#CC1(c2ccc(C[N@H+]3CCOC[C@@H]3CC3CCC3)cc2)CC1 ZINC000597136466 1040661356 /nfs/dbraw/zinc/66/13/56/1040661356.db2.gz XTEQPLDAMYYLOI-IBGZPJMESA-N 1 1 310.441 3.633 20 30 DHEDMO CCCOc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1OCC ZINC000597172484 1040666967 /nfs/dbraw/zinc/66/69/67/1040666967.db2.gz AUNVMBDUVOAQPT-MRXNPFEDSA-N 1 1 316.445 4.000 20 30 DHEDMO CCCOc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1OC ZINC000597172769 1040667025 /nfs/dbraw/zinc/66/70/25/1040667025.db2.gz FCHKMQWWTWNQIW-OAHLLOKOSA-N 1 1 302.418 3.610 20 30 DHEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000060466986 1040669930 /nfs/dbraw/zinc/66/99/30/1040669930.db2.gz JGRQWCPCDLWTIU-GOSISDBHSA-N 1 1 310.372 3.913 20 30 DHEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC000597175468 1040676219 /nfs/dbraw/zinc/67/62/19/1040676219.db2.gz ZTASZAXNVMKLHU-QGZVFWFLSA-N 1 1 321.424 3.786 20 30 DHEDMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cn1 ZINC000597177492 1040679003 /nfs/dbraw/zinc/67/90/03/1040679003.db2.gz NCWVOFNBBOWGBJ-QGZVFWFLSA-N 1 1 320.440 3.975 20 30 DHEDMO C=C[C@](C)(CC)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456353102 1040787067 /nfs/dbraw/zinc/78/70/67/1040787067.db2.gz ZBDIBIWAFDJXBE-YLJYHZDGSA-N 1 1 314.473 3.569 20 30 DHEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000602160053 1040896696 /nfs/dbraw/zinc/89/66/96/1040896696.db2.gz KTISKEHJDYJNHF-QGZVFWFLSA-N 1 1 324.428 3.558 20 30 DHEDMO CCC[N@@H+](C[C@@H](C)CCC#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000602454427 1041028997 /nfs/dbraw/zinc/02/89/97/1041028997.db2.gz SRKOMLWSFBAWOY-HOTGVXAUSA-N 1 1 301.434 3.665 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](c1nccn1C)C1CC1 ZINC000602443204 1041038263 /nfs/dbraw/zinc/03/82/63/1041038263.db2.gz HOSLAUWAPHKAKJ-GOSISDBHSA-N 1 1 308.429 3.655 20 30 DHEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000602459913 1041042253 /nfs/dbraw/zinc/04/22/53/1041042253.db2.gz WKYYSPPXVYRPBV-HOCLYGCPSA-N 1 1 300.402 3.535 20 30 DHEDMO C[C@H](CCC#N)C[N@H+]1CCc2c(Br)cccc2C1 ZINC000602455762 1041044516 /nfs/dbraw/zinc/04/45/16/1041044516.db2.gz YEYIIVZUYRXBSQ-GFCCVEGCSA-N 1 1 307.235 3.747 20 30 DHEDMO C[C@H](CCC#N)C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000602486911 1041057402 /nfs/dbraw/zinc/05/74/02/1041057402.db2.gz REKQANOAUICREN-APWZRJJASA-N 1 1 300.446 3.688 20 30 DHEDMO N#Cc1cccc(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)n1 ZINC000602583249 1041112874 /nfs/dbraw/zinc/11/28/74/1041112874.db2.gz WAUSAPHLWIVFJS-MRXNPFEDSA-N 1 1 313.788 3.610 20 30 DHEDMO N#Cc1cccc(C[NH2+][C@H]2CCCc3sc(Cl)cc32)n1 ZINC000602671898 1041139842 /nfs/dbraw/zinc/13/98/42/1041139842.db2.gz LHNXXOPPUNOWAY-ZDUSSCGKSA-N 1 1 303.818 3.835 20 30 DHEDMO C[C@@H](CCC#N)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000602697866 1041159715 /nfs/dbraw/zinc/15/97/15/1041159715.db2.gz BJHGCVWIDBLRJG-LPHOPBHVSA-N 1 1 300.446 3.589 20 30 DHEDMO COCC[N@H+](Cc1ccc(F)c(Cl)c1)C[C@@H](C)CCC#N ZINC000602682258 1041162639 /nfs/dbraw/zinc/16/26/39/1041162639.db2.gz PIALOXBLOJNUIP-ZDUSSCGKSA-N 1 1 312.816 3.867 20 30 DHEDMO N#CCC1(C[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000602772019 1041202792 /nfs/dbraw/zinc/20/27/92/1041202792.db2.gz FZDBOIQCRJYVDW-INIZCTEOSA-N 1 1 322.412 3.957 20 30 DHEDMO N#CCC1(C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000602772019 1041202802 /nfs/dbraw/zinc/20/28/02/1041202802.db2.gz FZDBOIQCRJYVDW-INIZCTEOSA-N 1 1 322.412 3.957 20 30 DHEDMO CCOc1cc2c(cc1OCC)C[N@H+](CC1(CC#N)CC1)CC2 ZINC000602767619 1041210758 /nfs/dbraw/zinc/21/07/58/1041210758.db2.gz RSIXZORPWXUVKL-UHFFFAOYSA-N 1 1 314.429 3.536 20 30 DHEDMO CCOc1cc2c(cc1OCC)C[N@@H+](CC1(CC#N)CC1)CC2 ZINC000602767619 1041210776 /nfs/dbraw/zinc/21/07/76/1041210776.db2.gz RSIXZORPWXUVKL-UHFFFAOYSA-N 1 1 314.429 3.536 20 30 DHEDMO Cc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598592520 1041351896 /nfs/dbraw/zinc/35/18/96/1041351896.db2.gz LMYUXNOIXKOJGO-CVEARBPZSA-N 1 1 304.434 3.806 20 30 DHEDMO CCc1ccc(C2=CC[N@@H+](C[C@H](O)CC(C)(C)C#N)CC2)cc1 ZINC000598599177 1041356249 /nfs/dbraw/zinc/35/62/49/1041356249.db2.gz HGHMOIFUEYZAMC-LJQANCHMSA-N 1 1 312.457 3.639 20 30 DHEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000598613085 1041360037 /nfs/dbraw/zinc/36/00/37/1041360037.db2.gz DIFDADSBEGREKG-FCGDIQPGSA-N 1 1 312.457 3.698 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000598621287 1041363692 /nfs/dbraw/zinc/36/36/92/1041363692.db2.gz JGNIVAVDIPGPLO-ZWKOTPCHSA-N 1 1 312.457 3.557 20 30 DHEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000598626201 1041366172 /nfs/dbraw/zinc/36/61/72/1041366172.db2.gz UMFMPFXZCSAZHU-HKUYNNGSSA-N 1 1 318.436 3.523 20 30 DHEDMO CC[N@@H+](C[C@@H]1COc2ccccc2O1)[C@H](C)c1cccc(C#N)c1 ZINC000442674689 335008628 /nfs/dbraw/zinc/00/86/28/335008628.db2.gz XAVCPMSUHMCZDR-CRAIPNDOSA-N 1 1 322.408 3.781 20 30 DHEDMO C#CCCOc1ccc(C[N@H+](C)C[C@@H](C)c2nccs2)cc1 ZINC000183262842 335018620 /nfs/dbraw/zinc/01/86/20/335018620.db2.gz BLGQWNONGYBNQR-OAHLLOKOSA-N 1 1 314.454 3.781 20 30 DHEDMO COc1cc(C)c(C[N@@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000024800183 182391441 /nfs/dbraw/zinc/39/14/41/182391441.db2.gz XUYJNTQQFPCACJ-UHFFFAOYSA-N 1 1 310.397 3.516 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+](CC2CCC2)C(C)C)c(C#N)c1C ZINC000193201367 335044044 /nfs/dbraw/zinc/04/40/44/335044044.db2.gz QCEWOARXCCDPFX-UHFFFAOYSA-N 1 1 319.474 3.686 20 30 DHEDMO Cc1nn(C)c(Cl)c1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000066155765 184393421 /nfs/dbraw/zinc/39/34/21/184393421.db2.gz YZSMMELGKLRNIF-UHFFFAOYSA-N 1 1 316.836 3.664 20 30 DHEDMO Cc1nn(C)c(Cl)c1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000066155765 184393422 /nfs/dbraw/zinc/39/34/22/184393422.db2.gz YZSMMELGKLRNIF-UHFFFAOYSA-N 1 1 316.836 3.664 20 30 DHEDMO CC[N@@H+](Cc1cn(C)nc1C(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000274496137 130241219 /nfs/dbraw/zinc/24/12/19/130241219.db2.gz QLQPKDUCKIAGTO-GFCCVEGCSA-N 1 1 318.371 3.812 20 30 DHEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc(OC)c1 ZINC000275037758 130284057 /nfs/dbraw/zinc/28/40/57/130284057.db2.gz LVUJFLLBZQDKJN-AWEZNQCLSA-N 1 1 310.397 3.768 20 30 DHEDMO COc1c(C)cnc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000275754676 130380770 /nfs/dbraw/zinc/38/07/70/130380770.db2.gz XFIYOTGAHWUKQX-HNNXBMFYSA-N 1 1 309.413 3.772 20 30 DHEDMO COc1c(C)c[nH+]c(CN(C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000275754676 130380779 /nfs/dbraw/zinc/38/07/79/130380779.db2.gz XFIYOTGAHWUKQX-HNNXBMFYSA-N 1 1 309.413 3.772 20 30 DHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285379917 131162551 /nfs/dbraw/zinc/16/25/51/131162551.db2.gz ROTHINXDZUEEOZ-AWEZNQCLSA-N 1 1 309.369 3.702 20 30 DHEDMO N#Cc1ccccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000285906022 131209419 /nfs/dbraw/zinc/20/94/19/131209419.db2.gz KPDVBGPNAUBMQO-QHAWAJNXSA-N 1 1 318.420 3.563 20 30 DHEDMO C[C@H](Nc1nc(Cl)c(C#N)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000287058693 131262487 /nfs/dbraw/zinc/26/24/87/131262487.db2.gz XIKCWHNLOANIMM-QWRGUYRKSA-N 1 1 324.881 3.733 20 30 DHEDMO CCN(Cc1ccc(C#N)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289471756 131389334 /nfs/dbraw/zinc/38/93/34/131389334.db2.gz POKFVHZTINGZOY-UHFFFAOYSA-N 1 1 313.470 3.703 20 30 DHEDMO CC[N@H+](Cc1nc(-c2ccco2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000299019206 132085843 /nfs/dbraw/zinc/08/58/43/132085843.db2.gz FREGUARKCYTIRS-ZDUSSCGKSA-N 1 1 322.368 3.784 20 30 DHEDMO CC[N@@H+](Cc1nc(-c2ccco2)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000299019206 132085846 /nfs/dbraw/zinc/08/58/46/132085846.db2.gz FREGUARKCYTIRS-ZDUSSCGKSA-N 1 1 322.368 3.784 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1cc(OC)c(O)c(OC)c1 ZINC000343321931 335080340 /nfs/dbraw/zinc/08/03/40/335080340.db2.gz OVHSDTQHFVYIFV-UHFFFAOYSA-N 1 1 319.426 3.659 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc(OC)c(O)c(OC)c1 ZINC000343321931 335080342 /nfs/dbraw/zinc/08/03/42/335080342.db2.gz OVHSDTQHFVYIFV-UHFFFAOYSA-N 1 1 319.426 3.659 20 30 DHEDMO C=CCC[C@@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)c1ccccc1 ZINC000291433167 335082350 /nfs/dbraw/zinc/08/23/50/335082350.db2.gz ZXQHDYSRUABZEC-IEBWSBKVSA-N 1 1 323.440 3.578 20 30 DHEDMO C[N@H+](CC1(C#N)CC1)CC1(c2ccc(Br)cc2)CC1 ZINC000343323622 335083985 /nfs/dbraw/zinc/08/39/85/335083985.db2.gz URGZXHBKBRKJNC-UHFFFAOYSA-N 1 1 319.246 3.716 20 30 DHEDMO C[N@@H+](CC1(C#N)CC1)CC1(c2ccc(Br)cc2)CC1 ZINC000343323622 335083987 /nfs/dbraw/zinc/08/39/87/335083987.db2.gz URGZXHBKBRKJNC-UHFFFAOYSA-N 1 1 319.246 3.716 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425556307 335087799 /nfs/dbraw/zinc/08/77/99/335087799.db2.gz SOLONDBPXKUEBU-BEFAXECRSA-N 1 1 310.441 3.900 20 30 DHEDMO C[C@@H]1C[C@@H](CCNc2ccc(C#N)cn2)C[N@H+]1Cc1ccccc1 ZINC000532797301 435193800 /nfs/dbraw/zinc/19/38/00/435193800.db2.gz KENDNSABDGOGAX-SJLPKXTDSA-N 1 1 320.440 3.666 20 30 DHEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cc(C#N)c3ccccc3n2)C1 ZINC000609891363 435354514 /nfs/dbraw/zinc/35/45/14/435354514.db2.gz ALIAVKPYBCPBDU-IYBDPMFKSA-N 1 1 322.456 3.886 20 30 DHEDMO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000292730835 335093843 /nfs/dbraw/zinc/09/38/43/335093843.db2.gz JEZHNRPMCSCMTN-SFHVURJKSA-N 1 1 314.473 3.569 20 30 DHEDMO Cc1cc([NH+]2CCCCCC2)ccc1Nc1cnc(C#N)cn1 ZINC000557693583 331809132 /nfs/dbraw/zinc/80/91/32/331809132.db2.gz BFJSJBOYSVEYKK-UHFFFAOYSA-N 1 1 307.401 3.781 20 30 DHEDMO C=CCOc1ccc(CNCC[N@H+](C)C2CCCCC2)cc1 ZINC000518278541 332005924 /nfs/dbraw/zinc/00/59/24/332005924.db2.gz WYQCPCNHSGRDOF-UHFFFAOYSA-N 1 1 302.462 3.606 20 30 DHEDMO C=CCOc1ccc(C[NH2+]CCN(C)C2CCCCC2)cc1 ZINC000518278541 332005925 /nfs/dbraw/zinc/00/59/25/332005925.db2.gz WYQCPCNHSGRDOF-UHFFFAOYSA-N 1 1 302.462 3.606 20 30 DHEDMO C[C@H]1C[C@H](CCNc2ccnc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000569484766 332101420 /nfs/dbraw/zinc/10/14/20/332101420.db2.gz FRYKFSQKTOYWAX-WMZOPIPTSA-N 1 1 320.440 3.666 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000410320557 332111966 /nfs/dbraw/zinc/11/19/66/332111966.db2.gz FDORGBBHPRGJFZ-FQEVSTJZSA-N 1 1 320.436 3.572 20 30 DHEDMO C=CCCc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000410344031 332113528 /nfs/dbraw/zinc/11/35/28/332113528.db2.gz JGLVXQVQWATFEI-UHFFFAOYSA-N 1 1 308.425 3.876 20 30 DHEDMO C=CCCc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000410344031 332113529 /nfs/dbraw/zinc/11/35/29/332113529.db2.gz JGLVXQVQWATFEI-UHFFFAOYSA-N 1 1 308.425 3.876 20 30 DHEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H](c2ccccc2Cl)C(C)C)C1=O ZINC000410369887 332118606 /nfs/dbraw/zinc/11/86/06/332118606.db2.gz GGUKRZBSSOOOTH-DLBZAZTESA-N 1 1 320.864 3.756 20 30 DHEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H](c2ccccc2Cl)C(C)C)C1=O ZINC000410369887 332118607 /nfs/dbraw/zinc/11/86/07/332118607.db2.gz GGUKRZBSSOOOTH-DLBZAZTESA-N 1 1 320.864 3.756 20 30 DHEDMO COc1ccc(CCC[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000092163900 332120724 /nfs/dbraw/zinc/12/07/24/332120724.db2.gz IWWMJTOFYVQXOT-UHFFFAOYSA-N 1 1 300.427 3.693 20 30 DHEDMO Cc1nnc([C@@H]2Cc3ccccc3C[N@@H+]2CC(C)(C)CCC#N)o1 ZINC000092356123 332124958 /nfs/dbraw/zinc/12/49/58/332124958.db2.gz FPRYPWFIKPYSBH-KRWDZBQOSA-N 1 1 324.428 3.807 20 30 DHEDMO Cc1nnc([C@@H]2Cc3ccccc3C[N@H+]2CC(C)(C)CCC#N)o1 ZINC000092356123 332124959 /nfs/dbraw/zinc/12/49/59/332124959.db2.gz FPRYPWFIKPYSBH-KRWDZBQOSA-N 1 1 324.428 3.807 20 30 DHEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(OC)cc(OC)c1 ZINC000092504394 332131416 /nfs/dbraw/zinc/13/14/16/332131416.db2.gz FSQJBEBHFKDSEK-UHFFFAOYSA-N 1 1 322.408 3.764 20 30 DHEDMO CCOc1cc(C[N@H+](CCC#N)CC2CC2)ccc1OC(F)F ZINC000093091578 332134161 /nfs/dbraw/zinc/13/41/61/332134161.db2.gz VTHDGYCQUOYCIY-UHFFFAOYSA-N 1 1 324.371 3.812 20 30 DHEDMO CCOc1cc(C[N@@H+](CCC#N)CC2CC2)ccc1OC(F)F ZINC000093091578 332134163 /nfs/dbraw/zinc/13/41/63/332134163.db2.gz VTHDGYCQUOYCIY-UHFFFAOYSA-N 1 1 324.371 3.812 20 30 DHEDMO C=CCc1cc(C[N@@H+](C)C(C2CC2)C2CC2)cc(OC)c1O ZINC000092704016 332138878 /nfs/dbraw/zinc/13/88/78/332138878.db2.gz MLPGNTOUDQLAGA-UHFFFAOYSA-N 1 1 301.430 3.750 20 30 DHEDMO Clc1ccc(C#CCN2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000426996456 332164764 /nfs/dbraw/zinc/16/47/64/332164764.db2.gz ALOPLGPBUROPAB-UHFFFAOYSA-N 1 1 316.876 3.642 20 30 DHEDMO C=CCC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC000427013943 332164794 /nfs/dbraw/zinc/16/47/94/332164794.db2.gz YGCUSELKXAMHHH-RTBURBONSA-N 1 1 314.473 3.727 20 30 DHEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@@](C)(C#N)C(C)C)cc1)C(C)C ZINC000101516643 332215819 /nfs/dbraw/zinc/21/58/19/332215819.db2.gz RSLFGHZJKULWCG-IBGZPJMESA-N 1 1 315.461 3.585 20 30 DHEDMO COc1ccc(Br)cc1[C@H]1CCC[N@@H+]1CCCC#N ZINC000101556958 332216736 /nfs/dbraw/zinc/21/67/36/332216736.db2.gz XHJOOXMUDMNYOK-CQSZACIVSA-N 1 1 323.234 3.898 20 30 DHEDMO COc1ccc(Br)cc1[C@H]1CCC[N@H+]1CCCC#N ZINC000101556958 332216737 /nfs/dbraw/zinc/21/67/37/332216737.db2.gz XHJOOXMUDMNYOK-CQSZACIVSA-N 1 1 323.234 3.898 20 30 DHEDMO COc1ccc2c(c1)CCC[N@H+](Cc1ccc(C#N)c(OC)c1)C2 ZINC000555951457 332266339 /nfs/dbraw/zinc/26/63/39/332266339.db2.gz WHHUQJYZICFYMZ-UHFFFAOYSA-N 1 1 322.408 3.524 20 30 DHEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)CCCSCC#N)CCC2 ZINC000152497132 332301457 /nfs/dbraw/zinc/30/14/57/332301457.db2.gz JTHWYAVTRDQFEG-CYBMUJFWSA-N 1 1 309.504 3.662 20 30 DHEDMO C=C(C)C[N@@H+](CC)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000152536611 332301489 /nfs/dbraw/zinc/30/14/89/332301489.db2.gz VCGMNNUXOWUBBI-ZDUSSCGKSA-N 1 1 301.390 3.704 20 30 DHEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000152536611 332301491 /nfs/dbraw/zinc/30/14/91/332301491.db2.gz VCGMNNUXOWUBBI-ZDUSSCGKSA-N 1 1 301.390 3.704 20 30 DHEDMO N#Cc1c(C[NH+]2CCC(CC(F)(F)F)CC2)cn2ccccc12 ZINC000560169045 332316516 /nfs/dbraw/zinc/31/65/16/332316516.db2.gz WQKBZKVAHYKTBK-UHFFFAOYSA-N 1 1 321.346 3.975 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)Cc1ccccc1NC(C)=O ZINC000119944883 332327041 /nfs/dbraw/zinc/32/70/41/332327041.db2.gz XIIGTTNDVYLNLF-UHFFFAOYSA-N 1 1 300.427 3.895 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccccc1NC(C)=O ZINC000119944883 332327043 /nfs/dbraw/zinc/32/70/43/332327043.db2.gz XIIGTTNDVYLNLF-UHFFFAOYSA-N 1 1 300.427 3.895 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)Cc1cn(C)nc1-c1cccnc1 ZINC000119932824 332327285 /nfs/dbraw/zinc/32/72/85/332327285.db2.gz PYACJICXJQWAKU-UHFFFAOYSA-N 1 1 324.453 3.732 20 30 DHEDMO C=CCC(C)(C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000293232918 335102312 /nfs/dbraw/zinc/10/23/12/335102312.db2.gz YBOSTBOUWXBNCE-HNNXBMFYSA-N 1 1 316.445 3.621 20 30 DHEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](c4ccccc4)C3)n2c1 ZINC000560542462 332355654 /nfs/dbraw/zinc/35/56/54/332355654.db2.gz SQZCNHGLCSLPIU-SFHVURJKSA-N 1 1 316.408 3.586 20 30 DHEDMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)c1 ZINC000120139936 332383525 /nfs/dbraw/zinc/38/35/25/332383525.db2.gz UZQDFOGBFVXXSD-LBPRGKRZSA-N 1 1 314.360 3.565 20 30 DHEDMO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000120139755 332383579 /nfs/dbraw/zinc/38/35/79/332383579.db2.gz FQYLWDZWOACRTQ-GFCCVEGCSA-N 1 1 314.360 3.565 20 30 DHEDMO C=CC[N@@H+](CCCO[C@H]1CCCCO1)CCc1ccccc1 ZINC000460385773 333076210 /nfs/dbraw/zinc/07/62/10/333076210.db2.gz FZXZFKUTJRPJLJ-IBGZPJMESA-N 1 1 303.446 3.650 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000174814375 333091009 /nfs/dbraw/zinc/09/10/09/333091009.db2.gz OJDNPYOHCQUCLJ-UHFFFAOYSA-N 1 1 317.452 3.663 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000174843945 333091567 /nfs/dbraw/zinc/09/15/67/333091567.db2.gz ANAQEPGADUZEJE-INIZCTEOSA-N 1 1 314.429 3.925 20 30 DHEDMO COc1ccc(C[N@@H+](C)C2CCCC2)cc1OCCCC#N ZINC000179798912 333155442 /nfs/dbraw/zinc/15/54/42/333155442.db2.gz ACHITUHSNPYNAH-UHFFFAOYSA-N 1 1 302.418 3.752 20 30 DHEDMO CCC(CC)[N@@H+](CC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000582026723 333172210 /nfs/dbraw/zinc/17/22/10/333172210.db2.gz SZBDSMKDESSOSM-UHFFFAOYSA-N 1 1 307.463 3.686 20 30 DHEDMO C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(OCC#N)cc1 ZINC000182023235 333174555 /nfs/dbraw/zinc/17/45/55/333174555.db2.gz GTFUXFJMDBGZGM-GFCCVEGCSA-N 1 1 313.426 3.774 20 30 DHEDMO CC[C@@H](CC#N)[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000184084879 333191858 /nfs/dbraw/zinc/19/18/58/333191858.db2.gz UWBKDQHZKOHAKG-AWEZNQCLSA-N 1 1 318.371 3.549 20 30 DHEDMO C[N@@H+](CCCCc1ccccc1)CCOc1ccccc1C#N ZINC000497596510 333267213 /nfs/dbraw/zinc/26/72/13/333267213.db2.gz FGHQUXJWQWORFL-UHFFFAOYSA-N 1 1 308.425 3.892 20 30 DHEDMO C=CCC(C)(C)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000497777083 333290480 /nfs/dbraw/zinc/29/04/80/333290480.db2.gz WQCPIMBQXCZPOP-UHFFFAOYSA-N 1 1 300.446 3.864 20 30 DHEDMO C=CCOc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000295115460 335132274 /nfs/dbraw/zinc/13/22/74/335132274.db2.gz WSNFSJFIMZUCLP-MQVJKMGUSA-N 1 1 320.864 3.620 20 30 DHEDMO C[C@@H]([NH2+][C@@H](CO)c1cccc(Cl)c1F)c1ccc(C#N)cc1 ZINC000499939058 333320691 /nfs/dbraw/zinc/32/06/91/333320691.db2.gz NFNKJHGZNNCBSR-BZNIZROVSA-N 1 1 318.779 3.735 20 30 DHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C(C)(C)C ZINC000563080298 333345350 /nfs/dbraw/zinc/34/53/50/333345350.db2.gz CXLZVFNSNDBLFP-CYBMUJFWSA-N 1 1 319.474 3.750 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1F ZINC000391946092 335136475 /nfs/dbraw/zinc/13/64/75/335136475.db2.gz WIVAQLZRJVBPMT-KSZLIROESA-N 1 1 316.420 3.603 20 30 DHEDMO N#CCc1ccc(CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000563122627 333393653 /nfs/dbraw/zinc/39/36/53/333393653.db2.gz NSBLCGRCWJITDH-UHFFFAOYSA-N 1 1 311.473 3.639 20 30 DHEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)c(Br)c1 ZINC000339460716 333526251 /nfs/dbraw/zinc/52/62/51/333526251.db2.gz BECNHUYRBVVSCP-QWRGUYRKSA-N 1 1 324.197 3.682 20 30 DHEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](C)[C@H](OC)C2)ccc1OC ZINC000343445192 335165228 /nfs/dbraw/zinc/16/52/28/335165228.db2.gz PETHDYAHGDHCEB-HNAYVOBHSA-N 1 1 319.445 3.507 20 30 DHEDMO N#CCc1ccc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000343419569 335163441 /nfs/dbraw/zinc/16/34/41/335163441.db2.gz LVPGKFDMXRHEQG-OAQYLSRUSA-N 1 1 320.436 3.625 20 30 DHEDMO Cc1ccnc(Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c1C#N ZINC000343501438 335169808 /nfs/dbraw/zinc/16/98/08/335169808.db2.gz COZAPPKUKSXIME-UHFFFAOYSA-N 1 1 303.369 3.769 20 30 DHEDMO COc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)cc1Cl ZINC000414532218 334009292 /nfs/dbraw/zinc/00/92/92/334009292.db2.gz APACVGKSYCHSDY-UHFFFAOYSA-N 1 1 306.818 3.914 20 30 DHEDMO COc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1Cl ZINC000414532218 334009293 /nfs/dbraw/zinc/00/92/93/334009293.db2.gz APACVGKSYCHSDY-UHFFFAOYSA-N 1 1 306.818 3.914 20 30 DHEDMO Cc1ccnc(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1C#N ZINC000343512811 335173097 /nfs/dbraw/zinc/17/30/97/335173097.db2.gz OLULSAKCGUKDCJ-DOTOQJQBSA-N 1 1 306.413 3.509 20 30 DHEDMO CCCC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C1CC1 ZINC000279426109 334108732 /nfs/dbraw/zinc/10/87/32/334108732.db2.gz PTCCCDXCWUDWQN-UHFFFAOYSA-N 1 1 323.444 3.623 20 30 DHEDMO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1nc(C(F)(F)F)cs1 ZINC000279605326 334110644 /nfs/dbraw/zinc/11/06/44/334110644.db2.gz WUMRSNBGCGQSCS-GUBZILKMSA-N 1 1 303.353 3.895 20 30 DHEDMO C[N@@H+](CCO)Cc1cc(NCC(C)(C)CCC#N)ccc1Cl ZINC000340046205 334114229 /nfs/dbraw/zinc/11/42/29/334114229.db2.gz IIYDKANPOWHKLW-UHFFFAOYSA-N 1 1 323.868 3.506 20 30 DHEDMO CCc1ccc(-c2noc([C@H](C)[NH2+][C@@H]3CC[C@H](C#N)C3)n2)cc1 ZINC000282133758 334131725 /nfs/dbraw/zinc/13/17/25/334131725.db2.gz BNYPYUZIMRNKEL-DUVNUKRYSA-N 1 1 310.401 3.642 20 30 DHEDMO CC[C@@](C)(C#N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000284981250 334145045 /nfs/dbraw/zinc/14/50/45/334145045.db2.gz DNRPYLFFXYLQGY-KXBFYZLASA-N 1 1 313.445 3.939 20 30 DHEDMO C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000343585491 335179638 /nfs/dbraw/zinc/17/96/38/335179638.db2.gz UMQFWIPNVMUSCV-OXQOHEQNSA-N 1 1 306.409 3.715 20 30 DHEDMO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)[C@@H](c2ccccc2)CO1 ZINC000343585491 335179640 /nfs/dbraw/zinc/17/96/40/335179640.db2.gz UMQFWIPNVMUSCV-OXQOHEQNSA-N 1 1 306.409 3.715 20 30 DHEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(OCc2ccccn2)c1 ZINC000343585232 335179770 /nfs/dbraw/zinc/17/97/70/335179770.db2.gz WQLHBMLMOOSQDC-OAHLLOKOSA-N 1 1 307.397 3.615 20 30 DHEDMO N#C[C@@H]1CC[C@H](N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000292829357 334192966 /nfs/dbraw/zinc/19/29/66/334192966.db2.gz OPUDVVJJCZNXSH-ANULTFPQSA-N 1 1 323.484 3.665 20 30 DHEDMO N#C[C@@H]1CC[C@H](N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000292829357 334192968 /nfs/dbraw/zinc/19/29/68/334192968.db2.gz OPUDVVJJCZNXSH-ANULTFPQSA-N 1 1 323.484 3.665 20 30 DHEDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000293167430 334196197 /nfs/dbraw/zinc/19/61/97/334196197.db2.gz VFDSKUPQNORBBM-FQEVSTJZSA-N 1 1 314.473 3.718 20 30 DHEDMO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCOCCC#N ZINC000293482494 334198196 /nfs/dbraw/zinc/19/81/96/334198196.db2.gz MLZOXUDAORMQCT-NSHDSACASA-N 1 1 301.217 3.916 20 30 DHEDMO Cc1ccccc1CC[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000295616887 334225753 /nfs/dbraw/zinc/22/57/53/334225753.db2.gz DPKUQULLPLLBPZ-UHFFFAOYSA-N 1 1 300.446 3.570 20 30 DHEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298189798 334247143 /nfs/dbraw/zinc/24/71/43/334247143.db2.gz BDHXVWDFEWQQLB-WBVHZDCISA-N 1 1 304.384 3.965 20 30 DHEDMO Cc1ccc[nH+]c1NCc1cccn1Cc1ccccc1C#N ZINC000187682841 334267967 /nfs/dbraw/zinc/26/79/67/334267967.db2.gz CAPWJJXBIBVYLB-UHFFFAOYSA-N 1 1 302.381 3.724 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2ccccc2n1C ZINC000187690282 334268185 /nfs/dbraw/zinc/26/81/85/334268185.db2.gz ZTEOSYFFPHKNQB-CQSZACIVSA-N 1 1 304.397 3.638 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2ccccc2n1C ZINC000187690282 334268186 /nfs/dbraw/zinc/26/81/86/334268186.db2.gz ZTEOSYFFPHKNQB-CQSZACIVSA-N 1 1 304.397 3.638 20 30 DHEDMO Cc1ccc(C[C@H](C)[N@@H+](C)CCOc2ccccc2C#N)cc1 ZINC000303780545 334330627 /nfs/dbraw/zinc/33/06/27/334330627.db2.gz SJTLWINCDOQCRU-KRWDZBQOSA-N 1 1 308.425 3.809 20 30 DHEDMO Cc1ccccc1NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063751153 334352198 /nfs/dbraw/zinc/35/21/98/334352198.db2.gz NXFOUUOGBCBBEG-UHFFFAOYSA-N 1 1 321.424 3.716 20 30 DHEDMO Cc1ccccc1NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063751153 334352200 /nfs/dbraw/zinc/35/22/00/334352200.db2.gz NXFOUUOGBCBBEG-UHFFFAOYSA-N 1 1 321.424 3.716 20 30 DHEDMO COc1cc2c(cc1C[N@H+](C)Cc1cccc(C#N)c1)O[C@@H](C)C2 ZINC000535067864 334363464 /nfs/dbraw/zinc/36/34/64/334363464.db2.gz ATTLQTQKHKWCJM-AWEZNQCLSA-N 1 1 322.408 3.522 20 30 DHEDMO COc1cc2c(cc1C[N@@H+](C)Cc1cccc(C#N)c1)O[C@@H](C)C2 ZINC000535067864 334363466 /nfs/dbraw/zinc/36/34/66/334363466.db2.gz ATTLQTQKHKWCJM-AWEZNQCLSA-N 1 1 322.408 3.522 20 30 DHEDMO Cc1cc(C[NH2+][C@H](C)c2nccn2-c2ccccc2)ccc1C#N ZINC000342320834 334532347 /nfs/dbraw/zinc/53/23/47/334532347.db2.gz RMHAWSOVNGQNKA-MRXNPFEDSA-N 1 1 316.408 3.903 20 30 DHEDMO Cc1cc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c(C)s1 ZINC000344066950 335214646 /nfs/dbraw/zinc/21/46/46/335214646.db2.gz IGGLUBVIRDUDOI-UHFFFAOYSA-N 1 1 314.454 3.885 20 30 DHEDMO CC[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000344226477 335229992 /nfs/dbraw/zinc/22/99/92/335229992.db2.gz XUWMXNQYZXYDTP-SJCJKPOMSA-N 1 1 319.836 3.661 20 30 DHEDMO CC(C)(C)C[N@@H+](CCC#N)CCC(=O)Nc1cccc(Cl)c1 ZINC000346315756 335399286 /nfs/dbraw/zinc/39/92/86/335399286.db2.gz IPLOFUPLWAYDGE-UHFFFAOYSA-N 1 1 321.852 3.930 20 30 DHEDMO Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](C3CC3)C2)c(C#N)c1C ZINC000329622764 336015033 /nfs/dbraw/zinc/01/50/33/336015033.db2.gz FWLQSKUAIOMAST-CQSZACIVSA-N 1 1 317.458 3.947 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](C3CC3)C2)c(C#N)c1C ZINC000329622764 336015035 /nfs/dbraw/zinc/01/50/35/336015035.db2.gz FWLQSKUAIOMAST-CQSZACIVSA-N 1 1 317.458 3.947 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(OCC)n1 ZINC000351619787 336051163 /nfs/dbraw/zinc/05/11/63/336051163.db2.gz KNFWDYMYQUYKMU-UHFFFAOYSA-N 1 1 309.413 3.764 20 30 DHEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(OC(C)(C)C)n1 ZINC000351700909 336059976 /nfs/dbraw/zinc/05/99/76/336059976.db2.gz TYHZBCQKGRJBTJ-UHFFFAOYSA-N 1 1 309.413 3.763 20 30 DHEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(OC(C)(C)C)n1 ZINC000351700909 336059978 /nfs/dbraw/zinc/05/99/78/336059978.db2.gz TYHZBCQKGRJBTJ-UHFFFAOYSA-N 1 1 309.413 3.763 20 30 DHEDMO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cccc(C#N)c2F)c1 ZINC000324226830 336113362 /nfs/dbraw/zinc/11/33/62/336113362.db2.gz WNPBVRNGBMDROR-LBPRGKRZSA-N 1 1 311.360 3.507 20 30 DHEDMO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000330145721 336117975 /nfs/dbraw/zinc/11/79/75/336117975.db2.gz HLOZBPKQZCFXMI-SFHVURJKSA-N 1 1 324.428 3.867 20 30 DHEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330209690 336124605 /nfs/dbraw/zinc/12/46/05/336124605.db2.gz BWMOHAWXXBASBO-LRDDRELGSA-N 1 1 318.465 3.591 20 30 DHEDMO CCn1c2ccc(C)cc2nc1NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000330223104 336126299 /nfs/dbraw/zinc/12/62/99/336126299.db2.gz MWHNSQPPSGKMTB-MRXNPFEDSA-N 1 1 312.417 3.579 20 30 DHEDMO Cc1ccc(-n2cc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)cn2)c(C)c1 ZINC000330247454 336129475 /nfs/dbraw/zinc/12/94/75/336129475.db2.gz YXALNFWMUJDLCO-GOSISDBHSA-N 1 1 324.428 3.704 20 30 DHEDMO Cc1ccc(-n2cc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)cn2)c(C)c1 ZINC000330247454 336129476 /nfs/dbraw/zinc/12/94/76/336129476.db2.gz YXALNFWMUJDLCO-GOSISDBHSA-N 1 1 324.428 3.704 20 30 DHEDMO CC1CCC([N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000332721057 336180235 /nfs/dbraw/zinc/18/02/35/336180235.db2.gz XDEIXTVXRVOBGS-UHFFFAOYSA-N 1 1 310.401 3.619 20 30 DHEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2Cl)[C@@H]1[C@@H]1CCCO1 ZINC000351981607 336185887 /nfs/dbraw/zinc/18/58/87/336185887.db2.gz KJAKZVOZQLCUII-JKSUJKDBSA-N 1 1 304.821 3.601 20 30 DHEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@H]1[C@@H]1CCCO1 ZINC000351981607 336185888 /nfs/dbraw/zinc/18/58/88/336185888.db2.gz KJAKZVOZQLCUII-JKSUJKDBSA-N 1 1 304.821 3.601 20 30 DHEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Oc2cccnc2)cc1 ZINC000352266419 336208530 /nfs/dbraw/zinc/20/85/30/336208530.db2.gz WHFCUZWDQZCPCJ-HZPDHXFCSA-N 1 1 320.396 3.968 20 30 DHEDMO N#CC1(F)CC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000352490480 336221747 /nfs/dbraw/zinc/22/17/47/336221747.db2.gz IZWZXKMJORGNKU-UHFFFAOYSA-N 1 1 311.360 3.702 20 30 DHEDMO C=CCN(Cc1ccccc1F)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000352618424 336227299 /nfs/dbraw/zinc/22/72/99/336227299.db2.gz QEWVBNSEDLZKQY-KRWDZBQOSA-N 1 1 318.436 3.605 20 30 DHEDMO C=CC[N@@H+](CCc1ccco1)Cc1cc2ccccc2[nH]c1=O ZINC000352700268 336231128 /nfs/dbraw/zinc/23/11/28/336231128.db2.gz BIUJLCKDWWIXBC-UHFFFAOYSA-N 1 1 308.381 3.764 20 30 DHEDMO C=CC[N@@H+](Cc1cnc2cccc(C)n12)Cc1cccc(C#N)c1 ZINC000352794124 336237130 /nfs/dbraw/zinc/23/71/30/336237130.db2.gz UUZPEFWHWSMOCE-UHFFFAOYSA-N 1 1 316.408 3.703 20 30 DHEDMO C=CC[N@H+](Cc1cnc2cccc(C)n12)Cc1cccc(C#N)c1 ZINC000352794124 336237131 /nfs/dbraw/zinc/23/71/31/336237131.db2.gz UUZPEFWHWSMOCE-UHFFFAOYSA-N 1 1 316.408 3.703 20 30 DHEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000352804218 336240930 /nfs/dbraw/zinc/24/09/30/336240930.db2.gz ZWPZQNSPCOJOMI-ZWKOTPCHSA-N 1 1 311.473 3.645 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000352806334 336242281 /nfs/dbraw/zinc/24/22/81/336242281.db2.gz UQTMGBDWSPWPIH-OAHLLOKOSA-N 1 1 310.397 3.783 20 30 DHEDMO CC[C@@H]1CCCC[N@H+]1CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538506727 336270318 /nfs/dbraw/zinc/27/03/18/336270318.db2.gz UHPQBMKZPNNXMR-WMLDXEAASA-N 1 1 303.425 3.612 20 30 DHEDMO CC[C@@H]1CCCCN1CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538506727 336270319 /nfs/dbraw/zinc/27/03/19/336270319.db2.gz UHPQBMKZPNNXMR-WMLDXEAASA-N 1 1 303.425 3.612 20 30 DHEDMO N#Cc1ccc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000192957192 336285944 /nfs/dbraw/zinc/28/59/44/336285944.db2.gz TVKPWJXUWSXLSG-QGZVFWFLSA-N 1 1 309.388 3.631 20 30 DHEDMO N#Cc1c(F)cccc1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192958676 336285977 /nfs/dbraw/zinc/28/59/77/336285977.db2.gz LHSZXCKUDQXVQX-MRXNPFEDSA-N 1 1 309.388 3.631 20 30 DHEDMO Cc1[nH+]ccn1-c1ccc(CNc2cc(Cl)ccc2C#N)cn1 ZINC000301291361 336299100 /nfs/dbraw/zinc/29/91/00/336299100.db2.gz UPCONZSDBYRFAS-UHFFFAOYSA-N 1 1 323.787 3.713 20 30 DHEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2cccc(C#N)n2)C1 ZINC000301296865 336299563 /nfs/dbraw/zinc/29/95/63/336299563.db2.gz YCBIGZHRJBRJPF-MRXNPFEDSA-N 1 1 320.440 3.797 20 30 DHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNc1ccc(C#N)nc1 ZINC000301516794 336311870 /nfs/dbraw/zinc/31/18/70/336311870.db2.gz LXZZPLKCXVEFDS-INIZCTEOSA-N 1 1 320.440 3.940 20 30 DHEDMO C=C[C@H](C)Nc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000301615418 336318454 /nfs/dbraw/zinc/31/84/54/336318454.db2.gz VDKACXZKRJERLM-NSHDSACASA-N 1 1 316.474 3.890 20 30 DHEDMO C[C@@H]1C[N@H+](CCCCNc2c(Cl)cccc2C#N)C[C@H](C)O1 ZINC000301727042 336325922 /nfs/dbraw/zinc/32/59/22/336325922.db2.gz QMEZBNXKKSHAAV-OKILXGFUSA-N 1 1 321.852 3.513 20 30 DHEDMO N#Cc1cccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c1F ZINC000352887632 336337131 /nfs/dbraw/zinc/33/71/31/336337131.db2.gz SLVDBBUAQHZJGE-LJQANCHMSA-N 1 1 324.399 3.879 20 30 DHEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)c1F ZINC000352887632 336337132 /nfs/dbraw/zinc/33/71/32/336337132.db2.gz SLVDBBUAQHZJGE-LJQANCHMSA-N 1 1 324.399 3.879 20 30 DHEDMO Cc1ccc(CNc2ccc(F)cc2C#N)c(N2CCCC2)[nH+]1 ZINC000302062618 336346356 /nfs/dbraw/zinc/34/63/56/336346356.db2.gz UMJFYFHRSBEGRO-UHFFFAOYSA-N 1 1 310.376 3.613 20 30 DHEDMO Cc1cn2c([nH+]1)CC[C@H](Nc1cc(C#N)ccc1C(F)(F)F)C2 ZINC000302611703 336362555 /nfs/dbraw/zinc/36/25/55/336362555.db2.gz BOKCOVHTZNSYKE-LBPRGKRZSA-N 1 1 320.318 3.509 20 30 DHEDMO C=CC[NH+](CC=C)CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000514121443 336371711 /nfs/dbraw/zinc/37/17/11/336371711.db2.gz WEYOGROIKMDSCR-HXUWFJFHSA-N 1 1 312.457 3.708 20 30 DHEDMO C[C@@H]1C[C@H](Nc2c(C#N)cccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000302898410 336373626 /nfs/dbraw/zinc/37/36/26/336373626.db2.gz RTCGRLZDLMZRRC-BEFAXECRSA-N 1 1 316.408 3.505 20 30 DHEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CCCCCC1 ZINC000302921929 336374195 /nfs/dbraw/zinc/37/41/95/336374195.db2.gz QOZXMDLIBBMEPO-UHFFFAOYSA-N 1 1 319.836 3.805 20 30 DHEDMO C=CCOc1ccc(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000352915503 336376868 /nfs/dbraw/zinc/37/68/68/336376868.db2.gz PCQWTTREEYKECY-UHFFFAOYSA-N 1 1 319.408 3.931 20 30 DHEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(OC)c1OC ZINC000352995810 336381450 /nfs/dbraw/zinc/38/14/50/336381450.db2.gz NXMXXDYRJBZBJJ-UHFFFAOYSA-N 1 1 301.386 3.528 20 30 DHEDMO CCCOc1ccc(C[NH2+]CC2(C#N)CCC2)cc1OCC ZINC000418135513 336897031 /nfs/dbraw/zinc/89/70/31/336897031.db2.gz AVLZBWOLOAXNNK-UHFFFAOYSA-N 1 1 302.418 3.658 20 30 DHEDMO C[C@@H]1[N@@H+](CC#Cc2ccc(Cl)cc2)CCC12CCOCC2 ZINC000375242995 337006441 /nfs/dbraw/zinc/00/64/41/337006441.db2.gz SNYJDLVBKCJQMH-HNNXBMFYSA-N 1 1 303.833 3.583 20 30 DHEDMO CC(C)(C#N)CCC[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375294104 337007339 /nfs/dbraw/zinc/00/73/39/337007339.db2.gz WPRNGLYNPIXMLU-UHFFFAOYSA-N 1 1 321.415 3.807 20 30 DHEDMO C=CC[N@H+](Cc1ccc2c[nH]nc2c1)Cc1cccc([N+](=O)[O-])c1 ZINC000122437283 337008528 /nfs/dbraw/zinc/00/85/28/337008528.db2.gz NXCMLBPZRHYPKQ-UHFFFAOYSA-N 1 1 322.368 3.659 20 30 DHEDMO C=CC[N@@H+](Cc1ccc2c[nH]nc2c1)Cc1cccc([N+](=O)[O-])c1 ZINC000122437283 337008529 /nfs/dbraw/zinc/00/85/29/337008529.db2.gz NXCMLBPZRHYPKQ-UHFFFAOYSA-N 1 1 322.368 3.659 20 30 DHEDMO N#Cc1cc(C[NH+]2CCC(F)(c3cccnc3)CC2)ccc1F ZINC000375349995 337008700 /nfs/dbraw/zinc/00/87/00/337008700.db2.gz RPLRCJNJFJEAHW-UHFFFAOYSA-N 1 1 313.351 3.553 20 30 DHEDMO CC(C)c1ncc2c(n1)C[N@H+](CCCCC(C)(C)C#N)CC2 ZINC000375406948 337010684 /nfs/dbraw/zinc/01/06/84/337010684.db2.gz VDWHIKAONUSOAP-UHFFFAOYSA-N 1 1 300.450 3.678 20 30 DHEDMO CCS[C@@H]1CCCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000375615566 337014715 /nfs/dbraw/zinc/01/47/15/337014715.db2.gz ZUZUARMDIBEVDI-MRXNPFEDSA-N 1 1 310.507 3.695 20 30 DHEDMO CC(C)C[N@@H+](Cc1cc(C#N)n(C)c1)[C@H]1CCCc2cccnc21 ZINC000376651123 337039199 /nfs/dbraw/zinc/03/91/99/337039199.db2.gz JRNBMLQRKJWKHK-IBGZPJMESA-N 1 1 322.456 3.827 20 30 DHEDMO N#CC1(c2ccccn2)CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000376739196 337040226 /nfs/dbraw/zinc/04/02/26/337040226.db2.gz HVSJIQMMKAPUBI-ONEGZZNKSA-N 1 1 321.399 3.791 20 30 DHEDMO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000376957588 337044096 /nfs/dbraw/zinc/04/40/96/337044096.db2.gz XGWMMXHQBUWBRG-IEBWSBKVSA-N 1 1 314.473 3.617 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000376957587 337044119 /nfs/dbraw/zinc/04/41/19/337044119.db2.gz XGWMMXHQBUWBRG-HKUYNNGSSA-N 1 1 314.473 3.617 20 30 DHEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000377132216 337047433 /nfs/dbraw/zinc/04/74/33/337047433.db2.gz XCQFYJZSJWGAME-NJDAHSKKSA-N 1 1 320.436 3.882 20 30 DHEDMO CC[C@@H]([NH2+][C@@H]1CCCn2nc(C(C)C)nc21)c1ccc(C#N)cc1 ZINC000377262134 337049741 /nfs/dbraw/zinc/04/97/41/337049741.db2.gz NIEXWTLBWRIZCT-IAGOWNOFSA-N 1 1 323.444 3.849 20 30 DHEDMO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000377407957 337052180 /nfs/dbraw/zinc/05/21/80/337052180.db2.gz OCBRVJCKRHHZJM-BMLIUANNSA-N 1 1 316.763 3.963 20 30 DHEDMO C[N@H+]1CCC[C@@H](CNc2cccnc2C#N)[C@H]1c1cccs1 ZINC000378062142 337065744 /nfs/dbraw/zinc/06/57/44/337065744.db2.gz SLTFLNDTIHQORP-GUYCJALGSA-N 1 1 312.442 3.510 20 30 DHEDMO CC[N@@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)C[C@H](C)C#N ZINC000378337387 337070142 /nfs/dbraw/zinc/07/01/42/337070142.db2.gz VGBAJEHGZKFSIK-CYBMUJFWSA-N 1 1 308.385 3.804 20 30 DHEDMO CC[N@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)C[C@H](C)C#N ZINC000378337387 337070143 /nfs/dbraw/zinc/07/01/43/337070143.db2.gz VGBAJEHGZKFSIK-CYBMUJFWSA-N 1 1 308.385 3.804 20 30 DHEDMO COc1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)cc1OCCCC#N ZINC000378350319 337070554 /nfs/dbraw/zinc/07/05/54/337070554.db2.gz RFYOZVOYMBGSHA-QGZVFWFLSA-N 1 1 314.429 3.610 20 30 DHEDMO C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000378514690 337074864 /nfs/dbraw/zinc/07/48/64/337074864.db2.gz FIFAXAWZLYTTKA-ZLGUVYLKSA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@H]([NH2+]C[C@H]1CCN(C)[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000378514690 337074865 /nfs/dbraw/zinc/07/48/65/337074865.db2.gz FIFAXAWZLYTTKA-ZLGUVYLKSA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@H](NC[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000378514690 337074866 /nfs/dbraw/zinc/07/48/66/337074866.db2.gz FIFAXAWZLYTTKA-ZLGUVYLKSA-N 1 1 319.452 3.902 20 30 DHEDMO C[C@H](NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000378514690 337074867 /nfs/dbraw/zinc/07/48/67/337074867.db2.gz FIFAXAWZLYTTKA-ZLGUVYLKSA-N 1 1 319.452 3.902 20 30 DHEDMO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000172352553 337106630 /nfs/dbraw/zinc/10/66/30/337106630.db2.gz ZKIIAAKDSVCKPL-HXUWFJFHSA-N 1 1 308.425 3.577 20 30 DHEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000320987974 337135584 /nfs/dbraw/zinc/13/55/84/337135584.db2.gz IRUHDQDIRXEKHL-SFHVURJKSA-N 1 1 311.429 3.541 20 30 DHEDMO C=CCCCCC[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173787676 337137488 /nfs/dbraw/zinc/13/74/88/337137488.db2.gz MAPXFSCWTAPRRT-UHFFFAOYSA-N 1 1 310.401 3.786 20 30 DHEDMO C=CCCCC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000175513672 337147715 /nfs/dbraw/zinc/14/77/15/337147715.db2.gz CFNQPENFOOTJSD-UHFFFAOYSA-N 1 1 314.473 3.510 20 30 DHEDMO Cc1sc(NC(=O)C[N@H+](C)[C@@H]2CCCC[C@@H]2C)c(C#N)c1C ZINC000177017625 337152768 /nfs/dbraw/zinc/15/27/68/337152768.db2.gz BPIHBASDWVXBKE-XHDPSFHLSA-N 1 1 319.474 3.686 20 30 DHEDMO Cc1csc(C(C)(C)[NH2+]CC#Cc2ccc(Cl)cc2)n1 ZINC000177190377 337154141 /nfs/dbraw/zinc/15/41/41/337154141.db2.gz HTVUZQWVJWBFOA-UHFFFAOYSA-N 1 1 304.846 3.981 20 30 DHEDMO N#Cc1ccc(F)c(C[NH+]2CCC(OCC3CCCC3)CC2)c1 ZINC000177485544 337156279 /nfs/dbraw/zinc/15/62/79/337156279.db2.gz XJKOYYZBRHEPJV-UHFFFAOYSA-N 1 1 316.420 3.869 20 30 DHEDMO CC(C)C[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C(C)C ZINC000179940877 337172689 /nfs/dbraw/zinc/17/26/89/337172689.db2.gz YIYOIGUECQUNGM-UHFFFAOYSA-N 1 1 310.445 3.825 20 30 DHEDMO C=C(C)C[N@H+](C)Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000181052781 337179608 /nfs/dbraw/zinc/17/96/08/337179608.db2.gz YMWDFJISXIYVBL-UHFFFAOYSA-N 1 1 312.413 3.677 20 30 DHEDMO Cc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1 ZINC000182318526 337187981 /nfs/dbraw/zinc/18/79/81/337187981.db2.gz JZNYIXGBXOVQMG-AWEZNQCLSA-N 1 1 318.380 3.768 20 30 DHEDMO C[C@H](c1ccsc1)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000185478822 337205617 /nfs/dbraw/zinc/20/56/17/337205617.db2.gz LVRMFLKUWSABSJ-CYBMUJFWSA-N 1 1 315.417 3.642 20 30 DHEDMO C=CC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(Cl)s1 ZINC000191184037 337292825 /nfs/dbraw/zinc/29/28/25/337292825.db2.gz HABPJDUFOXZKBB-UHFFFAOYSA-N 1 1 305.834 3.800 20 30 DHEDMO C=CC[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(Cl)s1 ZINC000191184037 337292826 /nfs/dbraw/zinc/29/28/26/337292826.db2.gz HABPJDUFOXZKBB-UHFFFAOYSA-N 1 1 305.834 3.800 20 30 DHEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(C#N)c(F)c1)CCC2 ZINC000192104593 337303040 /nfs/dbraw/zinc/30/30/40/337303040.db2.gz CLJJKMMYTIGUMR-INIZCTEOSA-N 1 1 315.417 3.972 20 30 DHEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000192151813 337303260 /nfs/dbraw/zinc/30/32/60/337303260.db2.gz JJTYCRPPNLDIGB-LLVKDONJSA-N 1 1 302.324 3.696 20 30 DHEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CC(=O)Nc1ccc(C#N)cc1 ZINC000532935114 337394092 /nfs/dbraw/zinc/39/40/92/337394092.db2.gz PUUZGGTZFBHAFS-LJQANCHMSA-N 1 1 321.424 3.970 20 30 DHEDMO CCCOc1ccc(C[NH+]2CCC(C#N)CC2)cc1OCC ZINC000123723872 337400863 /nfs/dbraw/zinc/40/08/63/337400863.db2.gz TUGCOKRWKLPQTD-UHFFFAOYSA-N 1 1 302.418 3.610 20 30 DHEDMO CC(C)c1csc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)n1 ZINC000127775873 337422287 /nfs/dbraw/zinc/42/22/87/337422287.db2.gz CGHOJPSVDMNOAL-UHFFFAOYSA-N 1 1 311.454 3.980 20 30 DHEDMO COCc1ccc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)o1 ZINC000268764687 337635326 /nfs/dbraw/zinc/63/53/26/337635326.db2.gz BCMWVTGNMJWBEX-UHFFFAOYSA-N 1 1 323.314 3.586 20 30 DHEDMO C#CC[C@@H]([NH2+]Cc1nn(CC)c2ccccc12)c1ccccc1 ZINC000274458743 337660039 /nfs/dbraw/zinc/66/00/39/337660039.db2.gz SLKURHSXICDFGC-GOSISDBHSA-N 1 1 303.409 3.910 20 30 DHEDMO O=C(c1ccc(F)cc1)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000278922421 337668341 /nfs/dbraw/zinc/66/83/41/337668341.db2.gz RTFWVFUQTFLXQT-UHFFFAOYSA-N 1 1 321.395 3.772 20 30 DHEDMO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ncccc1F ZINC000527826286 337767222 /nfs/dbraw/zinc/76/72/22/337767222.db2.gz KYOZAOXRUZEBII-AWEZNQCLSA-N 1 1 313.376 3.754 20 30 DHEDMO C=CCn1cc(C[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)nn1 ZINC000424295576 337816938 /nfs/dbraw/zinc/81/69/38/337816938.db2.gz NAVGWUZRDHVBNV-QGZVFWFLSA-N 1 1 316.836 3.749 20 30 DHEDMO N#CCCC[C@H]([NH3+])c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000424333274 337822438 /nfs/dbraw/zinc/82/24/38/337822438.db2.gz DJWXGYKKCPUXEJ-JTQLQIEISA-N 1 1 311.172 3.737 20 30 DHEDMO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccc(C#N)cn1 ZINC000516191474 338006377 /nfs/dbraw/zinc/00/63/77/338006377.db2.gz OWVUDJYOOBLAST-SFHVURJKSA-N 1 1 309.413 3.839 20 30 DHEDMO COc1ccc(C[N@@H+](C)[C@@H]2CC2(C)C)cc1OCCCC#N ZINC000426578336 338034989 /nfs/dbraw/zinc/03/49/89/338034989.db2.gz HNQMRFSBVSPOMK-QGZVFWFLSA-N 1 1 302.418 3.608 20 30 DHEDMO Cc1cccc(C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)c1C ZINC000428711171 338059162 /nfs/dbraw/zinc/05/91/62/338059162.db2.gz PWCXZZVTTRFGKO-UHFFFAOYSA-N 1 1 321.424 3.636 20 30 DHEDMO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)c1C ZINC000428713853 338059252 /nfs/dbraw/zinc/05/92/52/338059252.db2.gz XNAKBWAQSDSDQD-MRXNPFEDSA-N 1 1 321.424 3.634 20 30 DHEDMO C=C(C)C[NH+]1CCC(NCc2ccc(C(F)(F)F)s2)CC1 ZINC000428876410 338064132 /nfs/dbraw/zinc/06/41/32/338064132.db2.gz LQEIYPDTDLIYMO-UHFFFAOYSA-N 1 1 318.408 3.897 20 30 DHEDMO CC(C)([NH2+]CC#Cc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000429264136 338075324 /nfs/dbraw/zinc/07/53/24/338075324.db2.gz LRKQBNZCZNJEHL-UHFFFAOYSA-N 1 1 312.344 3.610 20 30 DHEDMO C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)CC[N@H+](C2CCC2)C1 ZINC000429369520 338078836 /nfs/dbraw/zinc/07/88/36/338078836.db2.gz ZWKHJRTUXXPUQA-CQSZACIVSA-N 1 1 317.864 3.518 20 30 DHEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000429895551 338091684 /nfs/dbraw/zinc/09/16/84/338091684.db2.gz LWPIAKMUTQLWFB-RDJZCZTQSA-N 1 1 300.446 3.540 20 30 DHEDMO C[C@H](CC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccccc1 ZINC000430157494 338099424 /nfs/dbraw/zinc/09/94/24/338099424.db2.gz QQJCTQUQANFCEQ-VQIMIIECSA-N 1 1 321.424 3.600 20 30 DHEDMO CC(C)C[N@@H+](CCC1CCOCC1)Cc1ccc(C#N)cc1 ZINC000432934781 338174019 /nfs/dbraw/zinc/17/40/19/338174019.db2.gz AFRSSBHNWVFLJO-UHFFFAOYSA-N 1 1 300.446 3.833 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433072728 338180200 /nfs/dbraw/zinc/18/02/00/338180200.db2.gz PSBMCTDGSBUBFX-GOSISDBHSA-N 1 1 306.409 3.946 20 30 DHEDMO N#Cc1cc(F)ccc1C[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000433316947 338192016 /nfs/dbraw/zinc/19/20/16/338192016.db2.gz HGOZBTDMPIRCIU-LJQANCHMSA-N 1 1 324.399 3.691 20 30 DHEDMO C[N@@H+](CCC(=O)Nc1cccc2ccccc21)CC(C)(C)C#N ZINC000433316226 338192046 /nfs/dbraw/zinc/19/20/46/338192046.db2.gz HGSZMYMYOPSNLZ-UHFFFAOYSA-N 1 1 309.413 3.650 20 30 DHEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)CC1(O)CCC(C)CC1 ZINC000434575193 338220729 /nfs/dbraw/zinc/22/07/29/338220729.db2.gz NLXCLNBMWSJAGE-UHFFFAOYSA-N 1 1 300.446 3.711 20 30 DHEDMO N#Cc1csc(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000435738846 338247200 /nfs/dbraw/zinc/24/72/00/338247200.db2.gz CUKYTUYRGIHGRL-INIZCTEOSA-N 1 1 303.475 3.506 20 30 DHEDMO N#Cc1csc(C[NH2+]C[C@@H]2CCCN2C2CCCCC2)c1 ZINC000435738846 338247201 /nfs/dbraw/zinc/24/72/01/338247201.db2.gz CUKYTUYRGIHGRL-INIZCTEOSA-N 1 1 303.475 3.506 20 30 DHEDMO Fc1ccc(C#CC[N@@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000437856318 338323371 /nfs/dbraw/zinc/32/33/71/338323371.db2.gz UVXQOUHJTNHTGC-IBGZPJMESA-N 1 1 311.425 3.967 20 30 DHEDMO Fc1ccc(C#CC[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000437856318 338323372 /nfs/dbraw/zinc/32/33/72/338323372.db2.gz UVXQOUHJTNHTGC-IBGZPJMESA-N 1 1 311.425 3.967 20 30 DHEDMO COC1CCC([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437881657 338324059 /nfs/dbraw/zinc/32/40/59/338324059.db2.gz MHNAZCUENIGSIE-UHFFFAOYSA-N 1 1 324.371 3.549 20 30 DHEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000438819505 338352384 /nfs/dbraw/zinc/35/23/84/338352384.db2.gz MSYKQGMRMKBVJP-MAUKXSAKSA-N 1 1 313.445 3.787 20 30 DHEDMO COCC[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439456689 338370053 /nfs/dbraw/zinc/37/00/53/338370053.db2.gz ZFEOMCZQMSWCCN-CQSZACIVSA-N 1 1 306.837 3.850 20 30 DHEDMO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](CCCC(C)(C)C#N)C2 ZINC000439470451 338370554 /nfs/dbraw/zinc/37/05/54/338370554.db2.gz OSNJAPCDALGKOW-HNAYVOBHSA-N 1 1 320.477 3.760 20 30 DHEDMO C=CCCCC[C@@H](C)[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000449263995 338607917 /nfs/dbraw/zinc/60/79/17/338607917.db2.gz KKWKEZODEOZKJW-OAHLLOKOSA-N 1 1 316.424 3.690 20 30 DHEDMO C=CCC[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C(=O)OCC ZINC000449658023 338644674 /nfs/dbraw/zinc/64/46/74/338644674.db2.gz RWHQWFRWVOENSF-JSGCOSHPSA-N 1 1 303.393 3.688 20 30 DHEDMO C=CCC[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)C(=O)OCC ZINC000449661250 338644819 /nfs/dbraw/zinc/64/48/19/338644819.db2.gz ZPKBHEAXPOLJJJ-WXRRBKDZSA-N 1 1 307.356 3.595 20 30 DHEDMO N#CC1(C[NH2+]C2(c3ccc(Br)cc3)CC2)CCC1 ZINC000450671443 338697772 /nfs/dbraw/zinc/69/77/72/338697772.db2.gz FNDVYCSAYOBYHE-UHFFFAOYSA-N 1 1 305.219 3.722 20 30 DHEDMO C=C(CC)CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000458540909 339000523 /nfs/dbraw/zinc/00/05/23/339000523.db2.gz VLBSUFMXKAMBFR-AWEZNQCLSA-N 1 1 312.417 3.507 20 30 DHEDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000459569243 339036405 /nfs/dbraw/zinc/03/64/05/339036405.db2.gz YIKLLPOPVFMIIP-GOSISDBHSA-N 1 1 308.466 3.760 20 30 DHEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000459681455 339042884 /nfs/dbraw/zinc/04/28/84/339042884.db2.gz XCZMVWHFGAWTQM-SFHVURJKSA-N 1 1 316.445 3.760 20 30 DHEDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000459716882 339044111 /nfs/dbraw/zinc/04/41/11/339044111.db2.gz QCNVLJGLRATHAF-QGZVFWFLSA-N 1 1 300.446 3.879 20 30 DHEDMO C[C@@H](C[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000459810135 339049548 /nfs/dbraw/zinc/04/95/48/339049548.db2.gz PWGXDRWHXSBHAO-KBPBESRZSA-N 1 1 302.418 3.529 20 30 DHEDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000461367339 339062566 /nfs/dbraw/zinc/06/25/66/339062566.db2.gz BVRAUIDYDCMSHC-IBGZPJMESA-N 1 1 305.425 3.659 20 30 DHEDMO Cc1nc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c(Cl)cc1C#N ZINC000461944494 339069372 /nfs/dbraw/zinc/06/93/72/339069372.db2.gz ATZFOQDYZDXHKP-OAHLLOKOSA-N 1 1 318.852 3.592 20 30 DHEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC(C)(C)C ZINC000462823911 339092340 /nfs/dbraw/zinc/09/23/40/339092340.db2.gz BAGAJFVSARGHEL-UHFFFAOYSA-N 1 1 310.445 3.827 20 30 DHEDMO CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCOC1 ZINC000463447784 339118183 /nfs/dbraw/zinc/11/81/83/339118183.db2.gz ZSNIHMVMZNXOLI-LJQANCHMSA-N 1 1 306.409 3.836 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000464725044 339150158 /nfs/dbraw/zinc/15/01/58/339150158.db2.gz LIFCPCDQWBNRGK-MAUKXSAKSA-N 1 1 318.436 3.633 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000466657058 339212143 /nfs/dbraw/zinc/21/21/43/339212143.db2.gz RFQMDRXRUGZNRA-KRWDZBQOSA-N 1 1 320.521 3.949 20 30 DHEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000466663239 339212303 /nfs/dbraw/zinc/21/23/03/339212303.db2.gz CWSKSROXVAQJEK-WMZOPIPTSA-N 1 1 306.494 3.750 20 30 DHEDMO C=CCC[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000467287288 339229907 /nfs/dbraw/zinc/22/99/07/339229907.db2.gz GRGAFTMNJOJWEU-UHFFFAOYSA-N 1 1 301.217 3.830 20 30 DHEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N(c1nccs1)C1CCCCC1 ZINC000467288106 339230007 /nfs/dbraw/zinc/23/00/07/339230007.db2.gz GAVMDPJKPUXHSR-AWEZNQCLSA-N 1 1 321.490 3.705 20 30 DHEDMO C=CCC[N@H+](C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000467292943 339230169 /nfs/dbraw/zinc/23/01/69/339230169.db2.gz GRUBERUUZASVTJ-UHFFFAOYSA-N 1 1 300.377 3.808 20 30 DHEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000467329867 339231790 /nfs/dbraw/zinc/23/17/90/339231790.db2.gz DYWFYMRGDNOMHM-QFBILLFUSA-N 1 1 312.457 3.707 20 30 DHEDMO N#Cc1cc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)ccc1F ZINC000468273008 339258377 /nfs/dbraw/zinc/25/83/77/339258377.db2.gz ZSNCFANDHCRZNM-MRXNPFEDSA-N 1 1 312.363 3.901 20 30 DHEDMO C=C[C@H](CC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC000468480247 339263743 /nfs/dbraw/zinc/26/37/43/339263743.db2.gz UCFLCIATPUUSAG-SJLPKXTDSA-N 1 1 314.473 3.583 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@H](CCOC)C2)c1 ZINC000468699383 339269083 /nfs/dbraw/zinc/26/90/83/339269083.db2.gz URUSNWRJXBQXOT-QGZVFWFLSA-N 1 1 303.446 3.890 20 30 DHEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@@H](CCOC)C2)c1 ZINC000468699382 339269177 /nfs/dbraw/zinc/26/91/77/339269177.db2.gz URUSNWRJXBQXOT-KRWDZBQOSA-N 1 1 303.446 3.890 20 30 DHEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1F ZINC000469469659 339290643 /nfs/dbraw/zinc/29/06/43/339290643.db2.gz YXSBEBXJBOILPL-CYBMUJFWSA-N 1 1 316.326 3.965 20 30 DHEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1F ZINC000469469659 339290644 /nfs/dbraw/zinc/29/06/44/339290644.db2.gz YXSBEBXJBOILPL-CYBMUJFWSA-N 1 1 316.326 3.965 20 30 DHEDMO C=CCOCCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000470764590 339327193 /nfs/dbraw/zinc/32/71/93/339327193.db2.gz HPSWMAZCDYTFLN-MRXNPFEDSA-N 1 1 300.402 3.948 20 30 DHEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000472581110 339374216 /nfs/dbraw/zinc/37/42/16/339374216.db2.gz MEAGTRNLVJTDOQ-CVEARBPZSA-N 1 1 324.262 3.913 20 30 DHEDMO C=CCC[C@H](O)C[N@H+](CC)Cc1ccccc1Br ZINC000472783841 339377567 /nfs/dbraw/zinc/37/75/67/339377567.db2.gz DUYOUWVJMLNRGD-AWEZNQCLSA-N 1 1 312.251 3.598 20 30 DHEDMO C=CCOc1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000473117609 339381281 /nfs/dbraw/zinc/38/12/81/339381281.db2.gz HDJZSJBZPJWXRQ-NRFANRHFSA-N 1 1 321.420 3.883 20 30 DHEDMO C#C[C@H]([NH2+]Cc1ccc(OCC)c(OC)c1)c1ccc(F)cc1 ZINC000491735438 339877135 /nfs/dbraw/zinc/87/71/35/339877135.db2.gz QCHWJUMGKVVMKF-KRWDZBQOSA-N 1 1 313.372 3.697 20 30 DHEDMO CC(C)[C@@H](CC[N@@H+](C)[C@H](C)CCC#N)NC(=O)OC(C)(C)C ZINC000496728764 340011499 /nfs/dbraw/zinc/01/14/99/340011499.db2.gz XCOTULJLAFQSKF-HUUCEWRRSA-N 1 1 311.470 3.550 20 30 DHEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000499065307 340028966 /nfs/dbraw/zinc/02/89/66/340028966.db2.gz QYZOYLLXVASRRH-BZUAXINKSA-N 1 1 320.502 3.629 20 30 DHEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000499065307 340028967 /nfs/dbraw/zinc/02/89/67/340028967.db2.gz QYZOYLLXVASRRH-BZUAXINKSA-N 1 1 320.502 3.629 20 30 DHEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCOC3(CCC3)C2)cc1 ZINC000499246958 340033263 /nfs/dbraw/zinc/03/32/63/340033263.db2.gz HBDIORPYSFOINK-UHFFFAOYSA-N 1 1 318.420 3.980 20 30 DHEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2c2cccc(Cl)c2)C1=O ZINC000499736820 340043834 /nfs/dbraw/zinc/04/38/34/340043834.db2.gz XCCPYWYEZVLZGR-IAGOWNOFSA-N 1 1 318.848 3.654 20 30 DHEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2cccc(Cl)c2)C1=O ZINC000499736820 340043835 /nfs/dbraw/zinc/04/38/35/340043835.db2.gz XCCPYWYEZVLZGR-IAGOWNOFSA-N 1 1 318.848 3.654 20 30 DHEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000501245365 340076976 /nfs/dbraw/zinc/07/69/76/340076976.db2.gz XORODZBBCKABCT-INIZCTEOSA-N 1 1 310.372 3.695 20 30 DHEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)[C@@H](C)CN1Cc1ccccc1 ZINC000501779310 340088529 /nfs/dbraw/zinc/08/85/29/340088529.db2.gz VYVIBORJNYUOBF-ZWKOTPCHSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@@H]1CN(CCCC(C)(C)C#N)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000501779310 340088530 /nfs/dbraw/zinc/08/85/30/340088530.db2.gz VYVIBORJNYUOBF-ZWKOTPCHSA-N 1 1 313.489 3.911 20 30 DHEDMO C[C@@H]1CN(CCCC(C)(C)C#N)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000501779310 340088531 /nfs/dbraw/zinc/08/85/31/340088531.db2.gz VYVIBORJNYUOBF-ZWKOTPCHSA-N 1 1 313.489 3.911 20 30 DHEDMO C=CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1)Cc1ccccc1 ZINC000502323511 340099775 /nfs/dbraw/zinc/09/97/75/340099775.db2.gz FLQUOKSOTHLLAT-GOSISDBHSA-N 1 1 322.452 3.894 20 30 DHEDMO C=CC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1)Cc1ccccc1 ZINC000502323511 340099776 /nfs/dbraw/zinc/09/97/76/340099776.db2.gz FLQUOKSOTHLLAT-GOSISDBHSA-N 1 1 322.452 3.894 20 30 DHEDMO COc1cccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502517700 340106729 /nfs/dbraw/zinc/10/67/29/340106729.db2.gz RZIGUWIGDHZTRL-UHFFFAOYSA-N 1 1 304.393 3.856 20 30 DHEDMO C[N@H+](CCOc1ccc(C#N)cc1)Cc1ccc(F)cc1Cl ZINC000503622035 340132522 /nfs/dbraw/zinc/13/25/22/340132522.db2.gz HXHBBDBIBVKPNN-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc(F)cc1Cl ZINC000503622035 340132523 /nfs/dbraw/zinc/13/25/23/340132523.db2.gz HXHBBDBIBVKPNN-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C=CCCc1ccccc1NC(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000505044433 340159797 /nfs/dbraw/zinc/15/97/97/340159797.db2.gz BAXKNWTXHMEUTJ-INIZCTEOSA-N 1 1 315.461 3.611 20 30 DHEDMO C[N@H+](CCOc1ccccc1Cl)Cc1ccc(C#N)cc1F ZINC000506164779 340187205 /nfs/dbraw/zinc/18/72/05/340187205.db2.gz UVNQZINARQLGQR-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO C[N@@H+](CCOc1ccccc1Cl)Cc1ccc(C#N)cc1F ZINC000506164779 340187206 /nfs/dbraw/zinc/18/72/06/340187206.db2.gz UVNQZINARQLGQR-UHFFFAOYSA-N 1 1 318.779 3.862 20 30 DHEDMO Cc1ccc(C)c(N2CC[NH+](Cc3cc(C#N)cs3)CC2)c1 ZINC000506437644 340194576 /nfs/dbraw/zinc/19/45/76/340194576.db2.gz DDFLWPLAYIBFHP-UHFFFAOYSA-N 1 1 311.454 3.559 20 30 DHEDMO CCC1(C)CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000507179693 340211479 /nfs/dbraw/zinc/21/14/79/340211479.db2.gz HNIGOAYOFWMIDE-UHFFFAOYSA-N 1 1 319.836 3.662 20 30 DHEDMO CN(C(=O)C[N@@H+](C)CCC1CCCCC1)C1(C#N)CCCCC1 ZINC000507648912 340227162 /nfs/dbraw/zinc/22/71/62/340227162.db2.gz FDGDWQDNLDXWEV-UHFFFAOYSA-N 1 1 319.493 3.573 20 30 DHEDMO CCN(c1cc[nH+]c(NCc2cccc(C#N)c2)n1)C1CCCC1 ZINC000508503577 340245124 /nfs/dbraw/zinc/24/51/24/340245124.db2.gz IKJPZGUVPOLIMZ-UHFFFAOYSA-N 1 1 321.428 3.729 20 30 DHEDMO COc1cc(C[N@H+](C)C[C@@H](C)C#N)c(-c2ccccc2)cc1OC ZINC000509776216 340278797 /nfs/dbraw/zinc/27/87/97/340278797.db2.gz XZDBZPZKTJFZNS-HNNXBMFYSA-N 1 1 324.424 3.962 20 30 DHEDMO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)c(-c2ccccc2)cc1OC ZINC000509776216 340278798 /nfs/dbraw/zinc/27/87/98/340278798.db2.gz XZDBZPZKTJFZNS-HNNXBMFYSA-N 1 1 324.424 3.962 20 30 DHEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510625516 340304263 /nfs/dbraw/zinc/30/42/63/340304263.db2.gz WEYRYSAUXDUYIN-LJQANCHMSA-N 1 1 314.473 3.556 20 30 DHEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc2c1OCO2 ZINC000510629819 340304337 /nfs/dbraw/zinc/30/43/37/340304337.db2.gz BFNFEOAWZYHJHB-UHFFFAOYSA-N 1 1 311.381 3.612 20 30 DHEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc2c1OCO2 ZINC000510629819 340304338 /nfs/dbraw/zinc/30/43/38/340304338.db2.gz BFNFEOAWZYHJHB-UHFFFAOYSA-N 1 1 311.381 3.612 20 30 DHEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000510872420 340313570 /nfs/dbraw/zinc/31/35/70/340313570.db2.gz NCSPBWFSHGMJJZ-KGLIPLIRSA-N 1 1 320.399 3.512 20 30 DHEDMO N#Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000511763952 340337600 /nfs/dbraw/zinc/33/76/00/340337600.db2.gz BDHLCAHWHWNFNB-HKBOAZHASA-N 1 1 318.420 3.563 20 30 DHEDMO N#Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000511763954 340337648 /nfs/dbraw/zinc/33/76/48/340337648.db2.gz BDHLCAHWHWNFNB-NJYVYQBISA-N 1 1 318.420 3.563 20 30 DHEDMO C=C(C)C[N@H+](CCO[C@@H]1CCCC[C@H]1C)Cc1ccc(CO)o1 ZINC000512197534 340351929 /nfs/dbraw/zinc/35/19/29/340351929.db2.gz RAVDCQJPVQMGNY-VQIMIIECSA-N 1 1 321.461 3.745 20 30 DHEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccccc1OCC ZINC000512202005 340352273 /nfs/dbraw/zinc/35/22/73/340352273.db2.gz JFRWJSYUSUIUBN-UHFFFAOYSA-N 1 1 315.413 3.749 20 30 DHEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1OCC ZINC000512202005 340352274 /nfs/dbraw/zinc/35/22/74/340352274.db2.gz JFRWJSYUSUIUBN-UHFFFAOYSA-N 1 1 315.413 3.749 20 30 DHEDMO C=C(C)CN(CC)C(=O)C[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000512246867 340354074 /nfs/dbraw/zinc/35/40/74/340354074.db2.gz VOZYOGVHLYJDFI-MRXNPFEDSA-N 1 1 300.446 3.637 20 30 DHEDMO CCC[N@H+](CCN1CCCC1)Cc1ccccc1C(C)(C)C#N ZINC000512475946 340363202 /nfs/dbraw/zinc/36/32/02/340363202.db2.gz WPFNLFIZDFCSKO-UHFFFAOYSA-N 1 1 313.489 3.796 20 30 DHEDMO CCC[N@@H+](CCN1CCCC1)Cc1ccccc1C(C)(C)C#N ZINC000512475946 340363203 /nfs/dbraw/zinc/36/32/03/340363203.db2.gz WPFNLFIZDFCSKO-UHFFFAOYSA-N 1 1 313.489 3.796 20 30 DHEDMO C[C@@H](NCC[N@@H+](C)C1CCCCC1)c1ccc(C#N)cc1F ZINC000512614632 340369114 /nfs/dbraw/zinc/36/91/14/340369114.db2.gz WQNFOCICAKCMHB-CQSZACIVSA-N 1 1 303.425 3.612 20 30 DHEDMO CC(C)C[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000512665888 340371946 /nfs/dbraw/zinc/37/19/46/340371946.db2.gz HVGBSKHZVHWWRK-WBVHZDCISA-N 1 1 317.452 3.716 20 30 DHEDMO Oc1cc(F)cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000185564770 340502853 /nfs/dbraw/zinc/50/28/53/340502853.db2.gz ZIBMOTYIJLNSLS-UHFFFAOYSA-N 1 1 323.289 3.691 20 30 DHEDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc([N+](=O)[O-])c1 ZINC000187419579 340519997 /nfs/dbraw/zinc/51/99/97/340519997.db2.gz VPQFRHOYFQFSLI-NSHDSACASA-N 1 1 315.760 3.971 20 30 DHEDMO CCC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1C#N)c1ccccc1 ZINC000540341352 340927652 /nfs/dbraw/zinc/92/76/52/340927652.db2.gz GWZWXJQUBCKVPJ-IBGZPJMESA-N 1 1 322.408 3.976 20 30 DHEDMO Cc1ccc(-c2noc([C@@H](C)[NH2+]CCC(C)(C)C#N)n2)cc1F ZINC000541684007 340980266 /nfs/dbraw/zinc/98/02/66/340980266.db2.gz DTROSVXBPVXNMM-GFCCVEGCSA-N 1 1 316.380 3.775 20 30 DHEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000544699194 341091454 /nfs/dbraw/zinc/09/14/54/341091454.db2.gz XWNCWZGDYCMIEE-WOJBJXKFSA-N 1 1 323.436 3.602 20 30 DHEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000134245393 341210610 /nfs/dbraw/zinc/21/06/10/341210610.db2.gz RSNKAQKKWYAGOQ-BFUOFWGJSA-N 1 1 310.372 3.521 20 30 DHEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000076734187 341213117 /nfs/dbraw/zinc/21/31/17/341213117.db2.gz LEPNYCXUESCZIR-GFCCVEGCSA-N 1 1 310.825 3.574 20 30 DHEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCC(C)(C)C#N ZINC000134625290 341220197 /nfs/dbraw/zinc/22/01/97/341220197.db2.gz AKHJNZUKAGCYQF-CABCVRRESA-N 1 1 323.481 3.694 20 30 DHEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ncc(C#N)cc1Cl ZINC000078650292 341245696 /nfs/dbraw/zinc/24/56/96/341245696.db2.gz TWPMTVQLXQVUBP-CQSZACIVSA-N 1 1 306.841 3.673 20 30 DHEDMO C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1cccc(C#N)c1 ZINC000548307561 341255454 /nfs/dbraw/zinc/25/54/54/341255454.db2.gz GCUIBKGPRHIGKX-LBPRGKRZSA-N 1 1 324.815 3.949 20 30 DHEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000548788297 341275689 /nfs/dbraw/zinc/27/56/89/341275689.db2.gz FOGOXNCLDBKXBS-IBGZPJMESA-N 1 1 319.408 3.799 20 30 DHEDMO CC1=C(c2ccco2)C[N@@H+](CCOc2cccc(C#N)c2)CC1 ZINC000548930607 341281293 /nfs/dbraw/zinc/28/12/93/341281293.db2.gz SSRYYOFKWOHAGS-UHFFFAOYSA-N 1 1 308.381 3.709 20 30 DHEDMO CC1=C(c2ccco2)C[N@@H+](CCOc2ccccc2C#N)CC1 ZINC000549159893 341287487 /nfs/dbraw/zinc/28/74/87/341287487.db2.gz ULEQOFYWOIJCIM-UHFFFAOYSA-N 1 1 308.381 3.709 20 30 DHEDMO C=CC[NH+](CC=C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549367330 341292542 /nfs/dbraw/zinc/29/25/42/341292542.db2.gz QYZBCYHWEOBBGV-UHFFFAOYSA-N 1 1 300.280 3.788 20 30 DHEDMO CCC[C@@H]1CN([C@H]2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000549929484 341307154 /nfs/dbraw/zinc/30/71/54/341307154.db2.gz COICWOYMCSAAHM-SLFFLAALSA-N 1 1 311.473 3.665 20 30 DHEDMO CCC[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000549929484 341307155 /nfs/dbraw/zinc/30/71/55/341307155.db2.gz COICWOYMCSAAHM-SLFFLAALSA-N 1 1 311.473 3.665 20 30 DHEDMO CCC[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000549929484 341307156 /nfs/dbraw/zinc/30/71/56/341307156.db2.gz COICWOYMCSAAHM-SLFFLAALSA-N 1 1 311.473 3.665 20 30 DHEDMO CC(C)(C)Oc1cccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1 ZINC000551412575 341340938 /nfs/dbraw/zinc/34/09/38/341340938.db2.gz YOGGZHSNAOYOMU-UHFFFAOYSA-N 1 1 321.424 3.909 20 30 DHEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000246567733 341353759 /nfs/dbraw/zinc/35/37/59/341353759.db2.gz RRDSTJZACLFKGI-UZLBHIALSA-N 1 1 306.409 3.867 20 30 DHEDMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000247255279 341362723 /nfs/dbraw/zinc/36/27/23/341362723.db2.gz FCGGNGDXNVETAH-OXJNMPFZSA-N 1 1 306.409 3.829 20 30 DHEDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000247255279 341362724 /nfs/dbraw/zinc/36/27/24/341362724.db2.gz FCGGNGDXNVETAH-OXJNMPFZSA-N 1 1 306.409 3.829 20 30 DHEDMO CCc1ccc[nH+]c1NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000552065497 341366752 /nfs/dbraw/zinc/36/67/52/341366752.db2.gz BZHPWGRFWSDYMO-UHFFFAOYSA-N 1 1 306.413 3.597 20 30 DHEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCCC[C@H]1C ZINC000249319210 341396420 /nfs/dbraw/zinc/39/64/20/341396420.db2.gz FVKBOVGLCKIXMQ-UKRRQHHQSA-N 1 1 319.474 3.849 20 30 DHEDMO C=CC[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000249544611 341399084 /nfs/dbraw/zinc/39/90/84/341399084.db2.gz FXAXQMZOUQGSSV-IEBWSBKVSA-N 1 1 314.473 3.727 20 30 DHEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C)c1cccs1 ZINC000265872030 522042832 /nfs/dbraw/zinc/04/28/32/522042832.db2.gz VWVIVVCUENNEPU-ZDUSSCGKSA-N 1 1 316.426 3.700 20 30 DHEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000364794942 526073134 /nfs/dbraw/zinc/07/31/34/526073134.db2.gz SZWUORZNRPWQFF-CQSZACIVSA-N 1 1 307.372 3.943 20 30 DHEDMO N#Cc1ccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)s1 ZINC000131187090 526617384 /nfs/dbraw/zinc/61/73/84/526617384.db2.gz XHBVLBQZORKJAQ-INIZCTEOSA-N 1 1 312.438 3.658 20 30 DHEDMO N#Cc1ccc(OC2CCN(c3cc[nH+]cc3Cl)CC2)cc1 ZINC000267343629 526670443 /nfs/dbraw/zinc/67/04/43/526670443.db2.gz FBJQOEUFLWFFNB-UHFFFAOYSA-N 1 1 313.788 3.654 20 30 DHEDMO Cn1cc(C[N@H+]2CCC[C@H]2C2CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180026351 527202828 /nfs/dbraw/zinc/20/28/28/527202828.db2.gz IWUXVGSUIORZGO-IBGZPJMESA-N 1 1 320.440 3.723 20 30 DHEDMO COCCc1cc[nH+]c(NCc2ccc(F)c(C#N)c2Cl)c1 ZINC000285094925 536831132 /nfs/dbraw/zinc/83/11/32/536831132.db2.gz GUUBLGORFWTNER-UHFFFAOYSA-N 1 1 319.767 3.547 20 30 DHEDMO